smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(N2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1	60858203	QLNDYWRSDHLCOW-UHFFFAOYSA-N	405.458	3.695	10	20	HHCD	
Cc1sc2nc([C@H](C)N[C@@H](C)c3ccc(N4CCOCC4)cc3)[nH]c(=O)c2c1C	140203086	WNZRKXZMGDSOAQ-GJZGRUSLSA-N	412.559	3.850	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1cc(Br)cs1	303334440	UIRQKSNMEZAPPD-UHFFFAOYSA-N	423.376	3.938	10	20	HHCD	
Cn1cc(-c2n[nH]cc2C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cn1	434382536	GOGZCHNICQJRNP-UHFFFAOYSA-N	412.291	3.655	10	20	HHCD	
COCCc1nnc(-c2cccc(C(=O)NCc3c(C)c4ccccc4n3C)c2)o1	471223714	SWMVCFNVFLRCSL-UHFFFAOYSA-N	404.470	3.656	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](OCc4ccncc4)C3)ccc21	509085778	YSKVKTBOGVJTPI-NRFANRHFSA-N	407.514	3.731	10	20	HHCD	
CCN(Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O)Cc1c(F)cccc1F	725781434	MIFCKGJKPYARBS-UHFFFAOYSA-N	418.484	3.727	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2scnc2c1	726289318	XUNOPHOMSQBMFV-UHFFFAOYSA-N	408.527	3.884	10	20	HHCD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566780	DXKWSCVYCLREJV-CYBMUJFWSA-N	406.477	3.527	10	20	HHCD	
C[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)n1cnc2ccccc21	726625592	KIRCIBWJEKEKMZ-HNNXBMFYSA-N	414.456	3.984	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)NC(=O)CS4)CC2)cc1	726694514	MSDLLLCLQGQNIB-UHFFFAOYSA-N	412.515	3.530	10	20	HHCD	
COCCCOc1cccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1	727176299	JBILRHQRWJXBOT-AQTBWJFISA-N	422.616	3.891	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c([N+](=O)[O-])c1	727244619	FBSIINVFNFHQKH-UHFFFAOYSA-N	424.391	3.566	10	20	HHCD	
COc1ccc2cc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccc2n1	727595782	QKWLFOJQEBJRGB-MRXNPFEDSA-N	406.486	3.963	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1	728979955	RQGKKVLBKGZASV-GFCCVEGCSA-N	401.850	3.914	10	20	HHCD	
C[C@H]1Cc2cc(S(=O)(=O)Nc3nc4c(s3)COc3ccccc3-4)ccc2O1	730072534	FRUNSKPWTWVUSG-NSHDSACASA-N	400.481	3.827	10	20	HHCD	
COc1ccccc1[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	738459876	IBQOGEADWCMBKD-AZUAARDMSA-N	409.530	3.792	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c(C)n1-c1ccccn1	741235662	UBFHJUXBMSTYKX-CVDCTZTESA-N	418.541	3.508	10	20	HHCD	
CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F	741678020	JTQLUVBNBSNFGC-QFIPXVFZSA-N	415.484	3.839	10	20	HHCD	
O=C(NCc1ccc(OCC(F)(F)F)nc1)NCc1c(O)ccc2c1CCCC2	743533575	BNQSMINTAXLBDE-UHFFFAOYSA-N	409.408	3.607	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	745289367	IIYITHARDXWFNL-XMMPIXPASA-N	424.589	3.574	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(O)c(OC)c1	745441304	OGADXKFBYSRSSL-UHFFFAOYSA-N	409.280	3.601	10	20	HHCD	
Cc1cnc([C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C2CC2)s1	745866234	NIFPTPUFCZNXAW-IBGZPJMESA-N	400.548	3.581	10	20	HHCD	
COC(=O)c1cc2c(CNC3CCN(c4ccc(OC)cc4)CC3)ccc(OC)c2o1	749110747	PXVYEILXSBHXFW-UHFFFAOYSA-N	424.497	3.995	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1C	751405826	MRZNNWVRTJTPEZ-JOCHJYFZSA-N	409.530	3.841	10	20	HHCD	
CCSc1ccc(CC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	751916743	WLADRZGRLUMVSQ-UHFFFAOYSA-N	400.544	3.609	10	20	HHCD	
CCOc1ccccc1C(F)(F)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	753116215	ZCGKCQQXJNIXKU-INIZCTEOSA-N	404.457	3.891	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc2ccccc2c1	753202622	CKFGTFSTDUYFPB-FDDCHVKYSA-N	415.537	3.961	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3csc(Cc4ccccc4)n3)CC2)cc1F	753740029	YLMZGOHJKBNTHQ-UHFFFAOYSA-N	411.502	3.844	10	20	HHCD	
C[C@@H]1C[C@@H](NCCCC(=O)N2CCN(c3ccccc3)CC2)c2c(O)ccc(F)c21	756730098	LGPHWPDUCKHOCT-YLJYHZDGSA-N	411.521	3.798	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1csc([C@@H]2CCCO2)n1	756791353	AWPAEMCCYUOBEW-QAPCUYQASA-N	421.950	3.748	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(Br)c3F)CC2)cc1	757909404	NENDEJKRIMIXKJ-UHFFFAOYSA-N	407.283	3.996	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1	761692856	XONVDSGOXVTCBY-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
CCOc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc(Cl)c1O	762584793	MXBSZMDFFPDGGX-CQSZACIVSA-N	404.894	3.772	10	20	HHCD	
C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(N2CCOCC2)cc1	765328742	HGABKUCHBBYTRG-GOSISDBHSA-N	410.518	3.751	10	20	HHCD	
O=C(CCCc1nnc(-c2ccccc2)o1)NCc1cccc(Br)c1O	765754912	YCJXIENGZGSRHZ-UHFFFAOYSA-N	416.275	3.844	10	20	HHCD	
CC(C)CCc1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1O	765928203	WENCIYBQOIVRMB-UHFFFAOYSA-N	419.319	3.998	10	20	HHCD	
COc1cc(N[C@H]2CCCN(Cc3cc(F)cc(C(C)=O)c3O)C2)cc(OC)c1	768552291	MGUXGVDPKWLZNZ-KRWDZBQOSA-N	402.466	3.828	10	20	HHCD	
CN(C)c1ccc(CN2CCC(OCCCNC(=O)OC(C)(C)C)CC2)cc1F	770283602	JWEYQHWCBMLOAF-UHFFFAOYSA-N	409.546	3.788	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1noc(-c2ccc(Cl)cc2)n1	771844373	UBZKBGMAYQJNTI-MRXNPFEDSA-N	411.937	3.993	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)n2)c1	773338801	IQKCVPRHPVOOKQ-GJZGRUSLSA-N	409.490	3.933	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)c1ccc(N(C)C)cc1	773854057	AKKAOCSGYBOZCG-LLVKDONJSA-N	424.726	3.984	10	20	HHCD	
CCNC(=O)COc1ccc(CN[C@@H](CC)c2cc(Cl)ccc2O)cc1OC	775486736	FCPAENYEKMSDMV-KRWDZBQOSA-N	406.910	3.810	10	20	HHCD	
COc1ccc(O)c(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1	775642569	IVPFHGCYLTWHLC-UHFFFAOYSA-N	411.380	3.650	10	20	HHCD	
CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2cccc(Cl)c2O)c1	776213179	AFBCYEGEMQRETA-UHFFFAOYSA-N	418.902	3.926	10	20	HHCD	
C[C@@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(N(C)C)cc1	776406154	VKUQTNVMXSBAJZ-LLVKDONJSA-N	420.296	3.533	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1[C@H](C)C1CC1	777418963	JIASZYBZLHOFJS-DNVCBOLYSA-N	416.953	3.916	10	20	HHCD	
CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(O)c1	779482226	RNQFFYICOVKRDE-VQHVLOKHSA-N	408.420	3.720	10	20	HHCD	
COC(=O)c1occc1CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)c1ccccn1	779510688	MFZYBZHHSKTYHC-HEWZJLJBSA-N	422.437	3.676	10	20	HHCD	
CSc1c(F)cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1F	784639857	KHYWOHKIZSPIMA-UHFFFAOYSA-N	405.470	3.542	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)OC(C)(C)C3)cc2F)C[C@@H](C)O1	785567367	WHVIJCUTAHQYFU-IYBDPMFKSA-N	407.530	3.538	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)CC1	786254320	CGIIXZJPPXAQHI-UHFFFAOYSA-N	421.585	3.902	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1	787403833	RSXSDYGBJVDKRT-HUUCEWRRSA-N	408.926	3.922	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C2CN(C(C)=O)C2)sc(C)c1-c1ccc(C)cc1	788427687	KWYDRJNLTONBHE-UHFFFAOYSA-N	400.500	3.625	10	20	HHCD	
COC(=O)c1sc(S(=O)(=O)Nc2ccc(O)cc2SC)c(C)c1Cl	788490290	ZJMJBOCJVFIAAY-UHFFFAOYSA-N	407.922	3.725	10	20	HHCD	
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	788833780	WMFIZXIQYJCIGW-OAQYLSRUSA-N	423.557	3.975	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1	794853581	WVNZWUSVENYSFK-HXUWFJFHSA-N	419.566	3.517	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cs1	796767632	GSWJSIBMUIOYRE-UHFFFAOYSA-N	420.538	3.756	10	20	HHCD	
CCN(CCc1ccccn1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803676650	BCSMAKQVMCTUKG-UHFFFAOYSA-N	422.573	3.558	10	20	HHCD	
O=C(N[C@@H]1CCCOc2ccccc21)C(=O)N(Cc1ccco1)Cc1ccccc1O	804064054	CBYCCAXAJSJKLR-HXUWFJFHSA-N	420.465	3.544	10	20	HHCD	
CC[C@H](N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1cccc(Cl)c1O	806170132	OPVUZZVKGSMXKO-OALUTQOASA-N	418.921	3.905	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)c1ccc(F)cc1Cl	806262909	VTHYOZWMRJCXHE-UHFFFAOYSA-N	419.928	3.564	10	20	HHCD	
CCOc1ccc([C@@H]2CCCN2C(=O)C(=O)NCCCSc2nccs2)cc1	806276637	HEQRZVSFOOACBN-KRWDZBQOSA-N	419.572	3.504	10	20	HHCD	
O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1	808115755	RGWGGHFZNUSYIE-UHFFFAOYSA-N	414.625	3.991	10	20	HHCD	
COC[C@]1(CNCc2cc(C)cc(Br)c2O)OCCc2ccccc21	810157826	DIGGOEKBAITZQV-FQEVSTJZSA-N	406.320	3.667	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(CN2CCCCC2)c1	857439465	NYYVPRKCXKDXNU-UHFFFAOYSA-N	411.521	3.578	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(-n4cncn4)cc3)SC2=S)cc1	884109275	AJCRSAJBKNUNEI-WQRHYEAKSA-N	407.524	3.739	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(OC(F)F)c3)cc2F)C[C@@H](C)O1	917708746	FVQBXHMSTLEPOX-OKILXGFUSA-N	408.420	3.971	10	20	HHCD	
CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1	917846807	AUIAHCHEWVOJKI-UHFFFAOYSA-N	415.540	3.598	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccccc3C(=O)N3CCCC3)CC2)cc1	918029458	OADQFTMFYLLIQA-UHFFFAOYSA-N	422.529	3.675	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1	918460860	IOVHENFGOVNKEH-UHFFFAOYSA-N	422.312	3.679	10	20	HHCD	
O=C(Nc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccsc1	919860245	RDNSPSBMOCGDJL-UHFFFAOYSA-N	421.522	3.767	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C/c3ccc(OC[C@@H]4CCCO4)cc3)SC2=S)CC1	920471824	FPFRKDBLTSRRNW-UZNZLNSGSA-N	418.584	3.540	10	20	HHCD	
CCc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl	1115897825	WMRZCVCVXGXZSQ-INIZCTEOSA-N	402.922	3.995	10	20	HHCD	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1CCCN1CCOCC1	96930812	WYQITRFLESCBQL-SDNWHVSQSA-N	417.383	3.917	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3c(C)nn(-c4ccccc4)c3C)CC2)cc1	110358739	UYMMRSIZFRUPRO-UHFFFAOYSA-N	418.541	3.825	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)CC2)cc1	110361360	NSDVOMGVQXDBOP-UHFFFAOYSA-N	416.905	3.909	10	20	HHCD	
Cc1ccc(Br)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	327399991	UJKUYLIMTRUDCW-UHFFFAOYSA-N	403.320	3.866	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)C(=O)N3Cc4ccccc4C3)ccc21	467887875	CMJAWZCBHMLYTR-KRWDZBQOSA-N	419.525	3.565	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@H](C)c4cccnc4)CC3)ccc21	514152494	VUEVABNDNFKTNY-HXUWFJFHSA-N	420.557	3.819	10	20	HHCD	
C[C@H](NC(=O)NC1CCN(CC2CCCC2)CC1)c1ccc(N2CCOCC2)cc1	726247411	SUWRYOQBBNKSBR-IBGZPJMESA-N	414.594	3.538	10	20	HHCD	
COC(=O)CN(Cc1ccccc1)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	728197055	YWMRUMZQZSPTIW-UHFFFAOYSA-N	405.450	3.504	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)C2CC2)cc1	728233570	ACBZSYKWHBYTDX-JOCHJYFZSA-N	407.514	3.827	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)c1	728951749	LDLQYHPQEBDJFA-CQSZACIVSA-N	400.475	3.510	10	20	HHCD	
CCOCCN1CCN(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)CC1	729994449	FEPPAYSTNSRQFE-UHFFFAOYSA-N	415.603	3.653	10	20	HHCD	
CCc1cc(=NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nc(-c2ccncc2)[nH]1	731662565	SYDTWBAHBWMORD-CALCHBBNSA-N	421.520	3.888	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C	733341791	DMRQKEGPOVNXJC-QZTJIDSGSA-N	416.566	3.826	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1	734702053	RZOWSUVNSGGCEJ-UHFFFAOYSA-N	406.486	3.588	10	20	HHCD	
O=[N+]([O-])c1cc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)ccc1N1CCCCC1	734845681	ZSXFYOLBBXVAAB-LJQANCHMSA-N	408.502	3.760	10	20	HHCD	
C[C@H]1C[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1	742379489	COXXHRMPMHTWKR-PXNSSMCTSA-N	408.502	3.869	10	20	HHCD	
C[C@H](c1ccccn1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	744280610	QOMRMSRBTCVHCM-OAHLLOKOSA-N	422.451	3.840	10	20	HHCD	
O=C(NCCNC(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccc1F	745721997	TVKBZRHADNPULD-UHFFFAOYSA-N	413.493	3.806	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCc2c(O)cccc21	745800665	SUGJBSNSTMVNSH-IBGZPJMESA-N	417.456	3.949	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)ccc1C	745994901	SLJSZGNBMBSYRC-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@](C)(O)[C@H](C)c3ccccc3)cc2F)C[C@@H](C)O1	747361401	OUJTVDDPDYJXIG-FGDDKPPBSA-N	414.521	3.610	10	20	HHCD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1	747805386	DSURIEDCRUGCGV-JOCHJYFZSA-N	421.607	3.797	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)C[C@H](O)COCCOC(C)C)c2C)c1	749417505	YWNISQDLYWIQDF-QFIPXVFZSA-N	416.562	3.585	10	20	HHCD	
CO[C@H](C)c1noc(CN2CCCN(Cc3cc(C(C)C)c(C)cc3O)CC2)n1	749979313	JUCUBVJDQMJLEB-QGZVFWFLSA-N	402.539	3.622	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(-n3cnnc3)cc2)c(C)n1-c1ccccc1	750620134	LCMCJZHGCCKVON-UHFFFAOYSA-N	400.438	3.715	10	20	HHCD	
CCOc1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1OC	753862842	GZYIGTYCWVBHPF-UHFFFAOYSA-N	403.454	3.596	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccccc1C(=O)NC1CC1	756326356	HDVJGXRBUMHHBR-UHFFFAOYSA-N	419.481	3.518	10	20	HHCD	
C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)c(F)cc1O	756355728	RVAKLRRKTQDBLJ-GOEBONIOSA-N	423.326	3.845	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1cc(Br)cc(F)c1O	756454865	PAFCCMXPDHEQJN-GXFFZTMASA-N	402.235	3.523	10	20	HHCD	
C[C@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1O	756491700	XUAIURFMGLYFND-AWEZNQCLSA-N	408.329	3.698	10	20	HHCD	
COc1ccc(N[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)cc1OCC(=O)NC1CC1	756806217	YCFDQNNMZUZXQG-BLLLJJGKSA-N	400.450	3.858	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(Br)c3F)CC2)cc1F	757982790	VSMMDHKNZDEMAS-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](C)[S@](=O)CC2)c(C)n1-c1ccc(Br)cc1	760660002	POARNPHSYBQAEX-HWRSSNJWSA-N	423.376	3.840	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	762268595	NGOSEKNONGBBHL-UHFFFAOYSA-N	419.412	3.926	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1	763230280	JNPNDYDMQWPYRP-SFHVURJKSA-N	419.489	3.779	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c(C)n1C[C@@H]1CCCO1	764413205	WXJITSIMXMZJPL-UWNXQOIWSA-N	403.529	3.673	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1	764558795	RLQTVQKVUVGGPJ-FQEVSTJZSA-N	418.582	3.976	10	20	HHCD	
C[C@H](NCc1ccccc1Cn1cncn1)c1ccc(N2CCOCC2)cc1Cl	764859376	BADCLWZWYJTOBV-KRWDZBQOSA-N	411.937	3.667	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(OC)c(OC)c1	765256090	TVVSEQFKOIYGGR-FPOVZHCZSA-N	411.546	3.646	10	20	HHCD	
O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)NCc1ccc(N2CCCCC2)cc1	767248661	MNBXINXCQMWXHG-UHFFFAOYSA-N	419.525	3.841	10	20	HHCD	
CCCCN(C)C(=O)C1CCN(Cc2cc(Br)cc(OC)c2O)CC1	768919315	QMNLVHTXGNEYJK-UHFFFAOYSA-N	413.356	3.634	10	20	HHCD	
COc1cc(Br)cc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O	769196258	UFWBPLCXZQVCTE-LBPRGKRZSA-N	415.328	3.510	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)c2ccc(Br)cc2)c(C)n1-c1ccccn1	771199406	GVPRTPOSVIMFKA-GOSISDBHSA-N	414.303	3.715	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3cc(Br)ccc3F)CC2)cc1	771258361	WTBMTNCZFJXVJL-UHFFFAOYSA-N	421.310	3.925	10	20	HHCD	
Cc1cc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)sc1C	773292965	PNPZFUITHYCIBU-UHFFFAOYSA-N	416.515	3.914	10	20	HHCD	
Oc1c(Br)cccc1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2	775153027	QSHJBQUXXXZDSE-UHFFFAOYSA-N	402.248	3.563	10	20	HHCD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)Cc1cccc(Cl)c1O	775641519	BXYZWMLMGDLCRK-UHFFFAOYSA-N	403.866	3.734	10	20	HHCD	
Cc1ccc(CNC(=O)c2cccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)c2)cc1	779501530	RXEMFDAEWYYHIE-ZRDIBKRKSA-N	416.477	3.666	10	20	HHCD	
COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)on1	781274910	MTPDKWPCMPJOSK-UHFFFAOYSA-N	408.370	3.672	10	20	HHCD	
CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCO1	781609800	VZZXPRMQCGLJQG-WYADAEROSA-N	406.542	3.897	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ncsc1-c1ccccc1	782389273	OBFZIMCULXFSNK-UHFFFAOYSA-N	409.511	3.692	10	20	HHCD	
CCOC(=O)Cc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	784062175	ZVOXZBBSEKQVNC-UHFFFAOYSA-N	423.513	3.679	10	20	HHCD	
O=C(NCCc1ccc(F)c(F)c1F)NCc1ccc(N2CCSCC2)cc1	784223836	SBQGYJQNXOSHOC-UHFFFAOYSA-N	409.477	3.699	10	20	HHCD	
Cc1cccnc1C(F)(F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	787446838	SONZBKRWHAIKKC-INIZCTEOSA-N	409.864	3.622	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cn1	790108556	UDAGOPHPNWACID-LIDSFVLZSA-N	405.589	3.944	10	20	HHCD	
C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1	790548130	UVKRESQTXUNLHC-ZDUSSCGKSA-N	421.856	3.644	10	20	HHCD	
CCN(CCS(=O)(=O)Cc1ccccc1)Cc1cc(Br)ccc1O	791466831	IUIOVYHGXFHQJF-UHFFFAOYSA-N	412.349	3.592	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c(O)c1	792806269	GBDAWDBGKTZXEP-UHFFFAOYSA-N	417.509	3.963	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1	793027859	VLPNKEAVGDISMD-UHFFFAOYSA-N	416.566	3.818	10	20	HHCD	
CC1(C)[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@H]1Oc1ccccc1	793522985	OOMWZFKQGGWZRE-WWPVKYPJSA-N	407.558	3.724	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCOCC(F)(F)F)cc2Cl)C1	799877285	UHWIWBXHTPVPFY-ZDUSSCGKSA-N	407.864	3.954	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1nnc2n1CCC2	799923977	ZOVVIMZVGDJMDH-CABCVRRESA-N	416.957	3.674	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1	801077746	KHCRYFDDRDMGCA-NRFANRHFSA-N	423.561	3.981	10	20	HHCD	
O=C(NCCCSc1nccs1)N(Cc1ccc(-n2cncn2)cc1)C1CC1	802243834	KBFDCPOPJRMLNJ-UHFFFAOYSA-N	414.560	3.580	10	20	HHCD	
Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1	803677434	OZXINQHQCXPLBG-QFIPXVFZSA-N	424.545	3.732	10	20	HHCD	
O=C(COC(=O)c1cc(F)c(Br)c(Cl)c1)c1ccc(O)c(O)c1	803733229	KEBHIDWYHRVRSU-UHFFFAOYSA-N	403.587	3.693	10	20	HHCD	
CC[C@@H](NCCNS(=O)(=O)Cc1ccccc1)c1cc(Cl)cc(Cl)c1O	806133009	FIVPLFUTYGTBRY-QGZVFWFLSA-N	417.358	3.859	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1	807289323	PVSUKPJIRSEAJS-FCHUYYIVSA-N	403.526	3.522	10	20	HHCD	
C[C@H]1CN(c2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)C[C@@H](C)O1	807837284	JWWJPBXLPVDHET-TXEJJXNPSA-N	410.301	3.638	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(C)n1-c1ccccc1	810071759	MEPRHESIPXOBIJ-KRWDZBQOSA-N	421.463	3.667	10	20	HHCD	
Cc1ncc2n1CC[C@H](C(=O)NCc1ccc(N3CCC[C@@H](C)C3)c(Cl)c1)C2	811495867	RXWKKJHSOLKKEP-QAPCUYQASA-N	400.954	3.960	10	20	HHCD	
C[C@@H](NC[C@H]1CCN(c2ccccc2F)C1)c1ccc(N2CCOCC2)c(F)c1	812735715	FOLOQDIFAXUCDX-QZTJIDSGSA-N	401.501	3.979	10	20	HHCD	
COc1ccc(N2CCN(Cc3nc4ccc(Br)cc4o3)CC2)cc1	812821873	RXMJTVIXFYTWKH-UHFFFAOYSA-N	402.292	3.921	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](O)c2ccc(Cl)cc2F)cc1	813428962	AABFEDUNXZNGCD-NQIIRXRSSA-N	420.912	3.786	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H](O)c2ccc(Cl)cc2F)cc1	813428964	AABFEDUNXZNGCD-WIYYLYMNSA-N	420.912	3.786	10	20	HHCD	
O=C(N[C@@H]1CCN(c2ccccc2F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	813854719	GXPRKJJQUSXNOR-MOPGFXCFSA-N	413.493	3.501	10	20	HHCD	
Cc1noc2nc(C(C)C)cc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c12	902601147	YSWNOYDWVPCIGN-UHFFFAOYSA-N	424.501	3.536	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)s1	917846639	YATFBMXXTDFJHL-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c(C)c1	917871582	QUILQIGFTLCGPS-UHFFFAOYSA-N	402.497	3.863	10	20	HHCD	
CCOc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)CC2)cc1	1319847474	LAEJPPZYXGTBOW-FQEVSTJZSA-N	422.573	3.835	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2ccc(CC)cc2)o1	1320437104	UDVFCKZMYOEMEL-SFHVURJKSA-N	423.465	3.824	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)CN(C)C(=O)OC(C)(C)C	1321743057	IRBQKVZWJTZMNH-QGZVFWFLSA-N	418.582	3.930	10	20	HHCD	
O=C(c1ccccc1)N1CCC[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	1322610156	AYLJKERWZKCYEF-NRFANRHFSA-N	422.529	3.980	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC1CCC1)c1cc(O)c(O)c(Cl)c1	1793375097	LVADPCLPXQTKEH-MUJYYYPQSA-N	406.910	3.583	10	20	HHCD	
CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1OC	69436331	HZRGRJAYKBXCLD-OAQYLSRUSA-N	412.530	3.981	10	20	HHCD	
C[C@@H](NC(=O)NCc1coc(-c2cccs2)n1)c1ccc(N2CCOCC2)cc1	140918693	AAMOBLZVEINXOO-OAHLLOKOSA-N	412.515	3.800	10	20	HHCD	
Cc1nc(CN2CCC(CNC(=O)NCc3c(C)c4ccccc4n3C)CC2)oc1C	471856658	MDKRFZDSXVMOML-UHFFFAOYSA-N	423.561	3.803	10	20	HHCD	
Cc1c(CNC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)n(C)c2ccccc12	471985487	SAPMDPFUVYFGMI-UHFFFAOYSA-N	405.477	3.853	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(C)Cc2cccc(OC(C)C)c2)n(C)c2ccccc12	515181382	OURCNACNIJXOGK-UHFFFAOYSA-N	407.514	3.549	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1	727984920	APRXDVHDWFFHJF-JFQUDDBISA-N	403.592	3.749	10	20	HHCD	
C/C=C\COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	729075359	FDSDQWNRWHWYOI-YFZWXAKQSA-N	412.330	3.770	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1	730021736	MADVNWJGMPOCGW-UHFFFAOYSA-N	401.938	3.954	10	20	HHCD	
Cc1cc(C(=O)N(C)CCn2cccn2)c(C)n1-c1ccccc1Br	732146531	CSWXYADYAGWQPP-UHFFFAOYSA-N	401.308	3.825	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](c4ccco4)C3)cc2F)C[C@@H](C)O1	732241119	BIEVRYFFYRTYBI-SOLBZPMBSA-N	401.482	3.731	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O	732894413	WSKCZCWJKHEBDW-NRFANRHFSA-N	424.520	3.763	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccccc1Cl	734065356	VFFRJXPWBKFEPA-LJQANCHMSA-N	405.926	3.937	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4ccc(F)cc34)cc2F)C[C@@H](C)O1	734319830	BXGAVTUBJJUQJG-GASCZTMLSA-N	413.468	3.919	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O	734468119	MMFDACXFJSMBMP-GOSISDBHSA-N	403.935	3.834	10	20	HHCD	
O=C([C@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735518711	JYJGXHVTVTUACJ-GOTSBHOMSA-N	408.542	3.812	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccc(-c2nccn2C)c1)c1ccc(N2CCOCC2)cc1	736973162	LCDNXERTSWQWGX-QGZVFWFLSA-N	405.502	3.806	10	20	HHCD	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	738975570	MAPFELPDCBNDOL-OAHLLOKOSA-N	415.484	3.755	10	20	HHCD	
Cc1ccc(NC(=O)CN(C)C(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1	741711233	JAXBRKYWEKWHBH-UHFFFAOYSA-N	422.573	3.514	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(OC4CCC4)cc3)CC2)cc1	742491374	LJNKBOKGBIEWNR-UHFFFAOYSA-N	423.557	3.569	10	20	HHCD	
O=C(CCCOc1cccnc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742797285	AXTPKXUWAPNMLT-INIZCTEOSA-N	405.445	3.627	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@@H]1c1ccc(Cl)cc1	743552969	BOALXNSXLNQLLP-LJQANCHMSA-N	403.885	3.972	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(OC)c(OC)c(OC)c1	743809044	KPEBFOFUYPDRMS-UHFFFAOYSA-N	424.291	3.843	10	20	HHCD	
Cc1cnc([C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C2CC2)s1	745653074	SYZHENVIMNKSSD-FQEVSTJZSA-N	414.575	3.611	10	20	HHCD	
CCOc1ccc(-c2nc(NS(=O)(=O)c3c(C)nn(C)c3C)sc2C)cc1	748672935	FECYGKLJWNYEST-UHFFFAOYSA-N	406.533	3.668	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c([N+](=O)[O-])n1	751588637	NSECSBIMYKXYJQ-UHFFFAOYSA-N	421.504	3.661	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(Cl)c2Br)c1	755106628	LTHKZIVHBVSURF-VIFPVBQESA-N	420.712	3.856	10	20	HHCD	
C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc2ccccc2c1O	756869415	VTOOHXOPIFLZOS-QGZVFWFLSA-N	405.498	3.989	10	20	HHCD	
COc1cc(Br)cc(CN[C@H](Cc2nc(C)no2)c2ccccc2)c1O	758617380	LFEBNXMMNVPHNW-MRXNPFEDSA-N	418.291	3.928	10	20	HHCD	
CN1CCC(CNC(=S)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1	760479765	SCNAAPKJMXXNND-UHFFFAOYSA-N	400.592	3.564	10	20	HHCD	
CCc1ccc([C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)N(C)C)cc1	760948359	HJXJLMIUXZGCNJ-IBGZPJMESA-N	415.921	3.675	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1	761996393	SQDHNSPJDXRTKY-UHFFFAOYSA-N	420.270	3.985	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCOc1ccc2c(c1)CCC2	764627508	GFGDMVSTRQZVGO-UHFFFAOYSA-N	408.542	3.830	10	20	HHCD	
CCCCc1nnc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)s1	766884669	DKJMWUVLLVSQPL-UHFFFAOYSA-N	400.504	3.820	10	20	HHCD	
Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	766973846	VALYKUJSDXORLO-UHFFFAOYSA-N	408.374	3.539	10	20	HHCD	
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(Br)cc(OC)c2O)C1	769008535	ZLOZPJAOSQKESJ-ZIAGYGMSSA-N	413.356	3.680	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(Cc3cccc(Br)c3O)CC2)s1	769191666	ATSABKAKCXXTOJ-UHFFFAOYSA-N	409.349	3.919	10	20	HHCD	
CC(C)OC[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCO1	770362252	WXZZJXVZIULGQX-QFIPXVFZSA-N	403.567	3.791	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H](OC)c3ccc(F)cc3)CC2)cc1	770829995	KGCAARNGCVLDDK-KSFYIVLOSA-N	415.509	3.879	10	20	HHCD	
COc1cccc([C@H](C)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	771062559	BDFZCTGOYHUPTQ-KXBFYZLASA-N	402.922	3.939	10	20	HHCD	
C[C@@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	775258048	PLIUJRPGCRELBV-DVECYGJZSA-N	407.558	3.710	10	20	HHCD	
C[C@H](NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)c1ccc(N(C)C)cc1	776238242	MUJSPVQYJXSBCV-KRWDZBQOSA-N	415.582	3.620	10	20	HHCD	
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	776255329	UGFZSLHWNBVWSL-NRFANRHFSA-N	414.521	3.705	10	20	HHCD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)/C=C/c1ccc(O)c(O)c1	779474999	HJGIRXPYPWTZMR-VQHVLOKHSA-N	409.269	3.905	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c(O)c1O	780881845	VCFXYORHEKZFEQ-HNNXBMFYSA-N	409.269	3.956	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C3(C)CCCCC3)cc2F)C[C@@H](C)O1	781268443	MEORIRYWXRXECP-CALCHBBNSA-N	420.525	3.569	10	20	HHCD	
CCN(CC)C(=O)CCC1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1	782718009	MHZQDIWKIIUVTD-UHFFFAOYSA-N	414.594	3.639	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@@H]1CCC(=O)N1C	783912523	WLHBEMVLDGFXFC-MJGOQNOKSA-N	419.447	3.919	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3CCCC(C)(C)C3)CC2)cc(OC)c1OC	785583085	BGNZSKFWCLAORT-MRXNPFEDSA-N	405.539	3.513	10	20	HHCD	
Cc1csc(C(=O)NCc2ccc(N(C)C)cc2)c1I	786703151	LAYCAYJBIDMFON-UHFFFAOYSA-N	400.285	3.657	10	20	HHCD	
C[C@H](NC(=O)Cc1ccc(I)cc1)c1ccc(N(C)C)cc1	792607457	RNYJYYOLPWDATG-ZDUSSCGKSA-N	408.283	3.777	10	20	HHCD	
CNC(=O)COc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c(C)c1	794840131	JCHVYSCYVDQIQB-INIZCTEOSA-N	417.937	3.783	10	20	HHCD	
COCCC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cc1	799715509	RGXGYJYSAKUPLW-NZQKXSOJSA-N	413.537	3.785	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccnc(OCc2ccccc2)c1	800593730	DMSPSBAJDUIZLI-UHFFFAOYSA-N	418.497	3.819	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)ccc1OCC	802609800	KUPJVHIWGBNTLH-UHFFFAOYSA-N	400.475	3.567	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C	807099781	FSQUQPDFCGKEPT-HXUWFJFHSA-N	419.928	3.983	10	20	HHCD	
CC[C@H](C)N[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccco1	807442892	RHVAIQHNPURQGE-DFQSSKMNSA-N	415.534	3.805	10	20	HHCD	
Cc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)o1	807952167	FSZJIGCHTAMSOO-OAHLLOKOSA-N	417.937	3.753	10	20	HHCD	
COCCOCc1ccc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	808390208	PJYAXXRRHNPLNX-JOCHJYFZSA-N	418.965	3.963	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)SC1=S	810200024	UHPGWQOLGXQCJY-QPEQYQDCSA-N	406.466	3.609	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	810351207	IBGMZWRMPLAXHQ-UHFFFAOYSA-N	412.490	3.601	10	20	HHCD	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	813682764	JGXZWQVXAUEBIX-GFCCVEGCSA-N	407.319	3.625	10	20	HHCD	
COc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1F	916401789	ZQEYHMIFHMRZOZ-UHFFFAOYSA-N	420.352	3.770	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1Br	917897668	DVOJJYSOUVBSBQ-UHFFFAOYSA-N	415.290	3.975	10	20	HHCD	
Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)c2ccc3c(c2)OCO3)cs1	1319719385	AGEMQNFCJUJPGR-UHFFFAOYSA-N	407.495	3.873	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)cc1	1321229295	CVUDOQXPRCXXIR-ROUUACIJSA-N	404.432	3.955	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1	23744480	JTISJUMFCFTREE-UHFFFAOYSA-N	412.511	3.592	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(-c4ccccc4OC)oc3=S)CC2)cc1	42910805	OPYVDSLHQVZYCG-UHFFFAOYSA-N	412.515	3.669	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	65597846	HHGYZASEQWDFKM-KRWDZBQOSA-N	404.514	3.817	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(F)cc(Br)c1	107580188	BWMMTQKPVSJWSC-UHFFFAOYSA-N	407.283	3.697	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2nc(C)c(SCC(N)=O)s2)c1	109981308	SGPJKVYCJBLFOV-UHFFFAOYSA-N	414.556	3.997	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCNc3ccc4ccccc4n3)ccc21	461469751	PJRNJXCPTJZBHW-UHFFFAOYSA-N	416.525	4.295	10	20	HHCD	
COc1nn(C)c2nc(C)c(CCC(=O)NCc3c(C)c4ccccc4n3C)c(C)c12	471225501	BTGNKTZJOWIWGQ-UHFFFAOYSA-N	419.529	3.643	10	20	HHCD	
C[C@@H](NC(=O)NCCNc1ccc2ccccc2n1)c1ccc(N2CCOCC2)cc1	726847658	ABIXRELBNBUBTM-GOSISDBHSA-N	419.529	3.544	10	20	HHCD	
Cc1[nH]c2ccccc2c1CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	726978597	BJXMLXIPRNFCKW-QGZVFWFLSA-N	406.530	3.916	10	20	HHCD	
COC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1F	727596554	VRWMPSDJROEODQ-AWEZNQCLSA-N	416.453	3.723	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1	728983759	FAHSZOOHZUDGKT-ZDUSSCGKSA-N	424.457	3.662	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)ccc3Cl)cc2)CC1	731132281	XUEIDHNPBKSXOK-UHFFFAOYSA-N	403.885	3.970	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)cc1F	734013799	SKBKXIRUNCHRAL-OAQYLSRUSA-N	409.452	3.657	10	20	HHCD	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCSc2nccs2)c1	735663035	WBAXTNZXEKBZAX-UHFFFAOYSA-N	404.966	3.502	10	20	HHCD	
CC(=O)N[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(F)cc1F	741534077	WOFQRSXFGCTQMH-JOCHJYFZSA-N	415.484	3.789	10	20	HHCD	
COc1ccc(CC[C@H](C)NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	742760801	UQOUMMXGQWEIGQ-IBGZPJMESA-N	411.546	3.947	10	20	HHCD	
O=C(Cc1noc2ccccc12)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801712	RUEDZAPXLPUXIC-CQSZACIVSA-N	401.413	3.757	10	20	HHCD	
CCO[C@@H](CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCCC1	747513206	RSAGMAPQJSKNJI-QHCPKHFHSA-N	417.594	3.680	10	20	HHCD	
S=C(NCc1ccc(Br)cc1)NCc1ccc(N2CC=CC2)cc1	747650927	OVOJSZGMUXBSDB-UHFFFAOYSA-N	402.361	3.990	10	20	HHCD	
CCOCc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)ccc1OC	747900487	GSKVJBRPSILYGW-LDADJPATSA-N	406.573	3.527	10	20	HHCD	
COc1ccc(-n2cc(O)c(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)n2)cc1	748015631	YGKSNUDZPBMLTB-UHFFFAOYSA-N	420.513	3.849	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C(N)=O)s3)c2C)c1	748967878	OBFVEJVEEDQBRV-UHFFFAOYSA-N	410.495	3.911	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2csc(C=O)c2)NC(=O)OC(C)(C)C)cc1	755012539	NWGVBDSBAAQKNB-SFHVURJKSA-N	417.531	3.622	10	20	HHCD	
COc1ccc(C(=O)N2CCC(N[C@H](C)c3ccc(F)cc3O)CC2)cc1OC	756731782	CDJZVWXHBZTCIW-CQSZACIVSA-N	402.466	3.504	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1	760093134	UHQIUMYMCNBMBF-SFHVURJKSA-N	419.529	3.546	10	20	HHCD	
CC[C@H](C)n1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C1CC1	760375357	BFKDDFSEIZPPHJ-KRWDZBQOSA-N	410.562	3.870	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)cc1F	763468878	WTEPNKGIGYPKHA-UHFFFAOYSA-N	405.539	3.502	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@](=O)C[C@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	763876974	IULQVMOFKDCRRM-ONSXPEOJSA-N	424.513	3.579	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(C2OCCO2)c1	764095723	XZCDPZUJWUTHRO-UHFFFAOYSA-N	418.440	3.732	10	20	HHCD	
O=C(Cc1ccccc1OC(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768917370	XVYHDFATDCKZFV-QGZVFWFLSA-N	424.875	3.970	10	20	HHCD	
CCn1nc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c2ccccc21	769723348	MCCDOIMSNSXQLY-BOPFTXTBSA-N	402.589	3.845	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1	772485347	AHALPSUDCBPGJR-UHFFFAOYSA-N	420.538	3.862	10	20	HHCD	
CC1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)CC1	773844911	DVNQZPDAZKYLEC-IBGZPJMESA-N	422.573	3.800	10	20	HHCD	
COc1cccc([C@@H](C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	774852709	AXMIQSUFIMMLRD-OAHLLOKOSA-N	414.461	3.760	10	20	HHCD	
CCOc1ccc2nc(NC(=O)CN[C@@H](C)c3cc(OC)ccc3O)sc2c1	775368678	DOWGVBSFKHCDHD-LBPRGKRZSA-N	401.488	3.699	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCc1ccc(OCC(F)(F)F)nc1	776246212	QHURWHPEWHIUTQ-UHFFFAOYSA-N	411.424	3.893	10	20	HHCD	
C[C@H](NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)c1ccc(N(C)C)cc1	776404645	HUKVXGAFKBAQKX-LBPRGKRZSA-N	400.422	3.537	10	20	HHCD	
Cc1csc2ncc(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)c(=O)n12	776469778	RRVZKNKFGVHVLU-UHFFFAOYSA-N	410.543	3.763	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cccc(C)c2OC(F)F)SC1=S	777874882	HXIGYNZADCCKAU-FMIVXFBMSA-N	401.456	3.751	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2SC)cc1	780389184	KLJKCRSWLCEICC-UHFFFAOYSA-N	414.574	3.751	10	20	HHCD	
CN(C)C(=O)CC1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	781144420	KORGSXHFOVNILO-UHFFFAOYSA-N	405.336	3.998	10	20	HHCD	
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1O	788748801	BLKNDMNTSJWQEH-BEFAXECRSA-N	422.447	3.532	10	20	HHCD	
COCCS(=O)(=O)c1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)cc1	788782520	JXTXLPZBOYSXLN-CYBMUJFWSA-N	417.449	3.682	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc(C(C)(C)C)cs2)cc1	789370793	VAXMAGOELDACCY-UHFFFAOYSA-N	402.564	3.884	10	20	HHCD	
CCCOc1cc(OC)ccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	789802335	CYVBFPOSBFOGQH-UHFFFAOYSA-N	416.493	3.514	10	20	HHCD	
NC(=O)[C@H](NCc1ccc(N2CCCCC2)cc1)c1cccc(Br)c1	793264546	AOGPJDMHRNKUFZ-LJQANCHMSA-N	402.336	3.756	10	20	HHCD	
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc(C)s2)cs1	795608050	SJDQGAJXOVXPGY-UHFFFAOYSA-N	411.486	3.898	10	20	HHCD	
Cc1onc(-c2cccnc2)c1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21	797036330	MYSDOHNAWUGYHG-GOSISDBHSA-N	416.481	3.802	10	20	HHCD	
C[C@@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1ccc(N2CCCCCC2)cc1	797087172	RECCHKDZLLYJLB-MVBJEAIPSA-N	412.622	3.801	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)c1	797744308	OFAFSRXORKOIRH-IBGZPJMESA-N	400.475	3.591	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1O	801173499	VLCACNOXCPUWAV-UHFFFAOYSA-N	420.181	3.992	10	20	HHCD	
CCS(=O)(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	806181359	CZUZJIREMAZFDY-UHFFFAOYSA-N	403.287	3.814	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	807255125	IPANCOQYLSHPNW-UHFFFAOYSA-N	411.546	3.987	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@@]3(C)CCCS3)cc2Cl)C1	807774559	BXRFMFWSZFBQCF-QVKFZJNVSA-N	424.010	3.594	10	20	HHCD	
O=C(CNC(=O)c1ccccc1C(F)(F)F)NCc1cc(Cl)cc(Cl)c1O	807837729	AWXAGSMGWPNVHJ-UHFFFAOYSA-N	421.202	3.764	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c1O	808693682	MDOYJOMDZJMIQV-LPHOPBHVSA-N	415.965	3.902	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2nc3ccc(Br)cc3o2)cc1	812831969	NDKNHNXKZLEKHG-UHFFFAOYSA-N	405.248	3.779	10	20	HHCD	
CC(C)[C@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)NC(N)=O	814773779	WCLXXVFHEMPJSA-GUNGLEHYSA-N	419.553	3.824	10	20	HHCD	
O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	816665902	ZPZMIZYSSTXGJU-UHFFFAOYSA-N	410.257	3.565	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2	816856786	PBRFDPLWVXYCNP-BVBGJJFLSA-N	402.491	3.549	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1c(F)cccc1F)c2[N+](=O)[O-]	821700989	QXLGYBOAKMIRLP-UHFFFAOYSA-N	408.316	3.901	10	20	HHCD	
COC[C@@H](C)NS(=O)(=O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1	863992322	VGJKHMIVQYLEGW-GOSISDBHSA-N	417.575	3.602	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CSCC(=O)N(C)C)sc(C)c1-c1ccccc1	881835171	SVOGMEZHTSNEQE-UHFFFAOYSA-N	420.556	3.660	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc([C@H]4C[C@H]4C)o3)C3CC3)CC2)cc1	915057407	ZGXQNIJMYPPOBD-JPYJTQIMSA-N	423.557	3.725	10	20	HHCD	
COC(=O)c1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc([N+](=O)[O-])c1	917361551	QTRPZHXILYJPAT-UHFFFAOYSA-N	410.382	3.523	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1	918024921	IQZPJFZUTLWZOX-HNNXBMFYSA-N	420.435	3.729	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	920317098	SKEDGWZNCSECRZ-UHFFFAOYSA-N	411.911	3.914	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@H](Cn2cc(Cl)cn2)C(=O)O)cc1	1116780442	OVCAXNAFRCEQQE-OAQYLSRUSA-N	412.921	3.806	10	20	HHCD	
CCOc1ccc(N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cc1	1324598567	CZMOVEFMTCMTQP-UHFFFAOYSA-N	400.486	3.517	10	20	HHCD	
COc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCCCO2)cc1	1324678217	YPFXQYYXELHOMR-HXUWFJFHSA-N	408.502	3.865	10	20	HHCD	
CCNC(=O)COc1cccc(NC(=O)NCc2ccc(N(CC)CC)c(F)c2)c1	303291246	BEDKIJBDGMEJKC-UHFFFAOYSA-N	416.497	3.509	10	20	HHCD	
CCO[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1	195655282	NZIBUTCZYPWKQD-FQEVSTJZSA-N	422.447	3.936	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3F)cc2Cl)C1	800636257	ICYBYSZHHROCTE-CQSZACIVSA-N	403.885	3.970	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1	807090188	ODAPRYFEWJQHND-HSZRJFAPSA-N	424.541	3.805	10	20	HHCD	
CC(C)OCCCCNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	807465376	IRFRNYYSSMQGGE-KRWDZBQOSA-N	423.985	3.514	10	20	HHCD	
C[C@H](CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)Cc1cccs1	807628025	PDJKSUVZFFKIKP-INIZCTEOSA-N	412.511	3.571	10	20	HHCD	
COC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1F	806130862	DOWCAUYRDZSTQH-OXJNMPFZSA-N	419.928	3.658	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c1O	808693683	MDOYJOMDZJMIQV-QFBILLFUSA-N	415.965	3.902	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(CN4CCOCC4)c3)ccc21	483443688	VNDOPFPFXQENCD-UHFFFAOYSA-N	421.541	3.989	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H]3OCCc4sccc43)CC2)cc1	813622892	UNUWHYRPBGZYJE-QVKFZJNVSA-N	415.559	3.727	10	20	HHCD	
C[C@H]1CN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCC1(F)F	810045832	WXOWIDGZNZGTQG-UONOGXRCSA-N	412.436	3.766	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc4c(c3)CCCN4C)CC2)cc1	726708348	AEWPAHDHQOOGGZ-UHFFFAOYSA-N	408.546	3.546	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@H](CCc2ccccc2)c2ccccc2O)cc1	815563745	MSYDBFGAYHALMO-HSZRJFAPSA-N	424.566	3.905	10	20	HHCD	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-n3cncn3)c(F)c2)SC1=S	824017151	DAKDIHBLJFFKHB-MFOYZWKCSA-N	412.471	3.821	10	20	HHCD	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C(=O)NCc1ccccc1O	728142357	MCANOAXPNLOITR-UHFFFAOYSA-N	408.429	3.674	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)n2nc(C)cc2n1	728837437	TXBMWESXGNLTAI-UHFFFAOYSA-N	405.424	3.617	10	20	HHCD	
COc1ccc2cc(CNC(=O)C(=O)NCc3c(C)c4ccccc4n3C)ccc2c1	584853070	NBFWWKNBRVQREB-UHFFFAOYSA-N	415.493	3.581	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3nc4ccsc4s3)cc2F)CC1	735576296	BVFFSIHDWIJIMH-UHFFFAOYSA-N	419.551	3.961	10	20	HHCD	
Cc1cc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	730252964	ZVSUVKJPGWJOJU-SFHVURJKSA-N	412.534	3.866	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1	732780895	BXBFSPNITPXIJY-GOSISDBHSA-N	407.436	3.638	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)c1	733665612	LVZINTUUMMJNTL-HNNXBMFYSA-N	421.453	3.712	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)cc1	735371143	VOEKJKHYZHCAJV-UHFFFAOYSA-N	418.563	3.925	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F	734407296	LQKDIIKJECRHFK-UHFFFAOYSA-N	403.408	3.591	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1	918597193	KEQSFULUEQNIGQ-UHFFFAOYSA-N	409.511	3.880	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C3(NC(=O)OC(C)(C)C)CCCCC3)ccc21	746813096	REDBPFKYVQAWRW-UHFFFAOYSA-N	401.551	3.913	10	20	HHCD	
O=C(COC(=O)c1cc(F)ccc1F)Nc1cccc2c1C(=O)c1ccccc1C2=O	919898056	NMHYMEMXTQOODF-UHFFFAOYSA-N	421.355	3.536	10	20	HHCD	
C[C@H](Oc1ccccc1F)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	917715430	QQYZNTALDRMSCZ-OAGGEKHMSA-N	404.457	3.662	10	20	HHCD	
COC(=O)CCN(CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C)C1CCOCC1	744426012	FZHYIAAXAIOWJG-UHFFFAOYSA-N	412.530	3.629	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(C)n1-c1ccccn1	917386731	VRQWYZULOUGCOM-UHFFFAOYSA-N	406.555	3.972	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)OCc2csc(CS(C)(=O)=O)n2)c1C	741822706	ZJUJNAJVDCFZQV-UHFFFAOYSA-N	418.540	3.761	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C[C@H]4CCOC4)CC3)c2C)cc1C	749853213	WATOYKSDNGDZCT-JOCHJYFZSA-N	409.574	3.548	10	20	HHCD	
C[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCN(C(=O)c2ccccc2)C1	742046780	YNYYTDHIGGSVBH-VWLOTQADSA-N	405.542	3.846	10	20	HHCD	
CN(C)C(=O)C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)c2ccc(Cl)cc21	743807377	OPODLSZCVBAVDP-MRXNPFEDSA-N	414.937	3.698	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCCOCC2)sc(C)c1-c1ccccc1	746386527	RSGYUUGIIPOXSD-UHFFFAOYSA-N	402.516	3.561	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](c3nc(C)cs3)C3CC3)CC2)cc1	745799091	GPEHZODKZRGUAY-IBGZPJMESA-N	400.548	3.879	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccncc1	743554589	IMXHGFVWLRJXKL-QINHECLXSA-N	400.498	3.785	10	20	HHCD	
Cc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)s1	748028056	YSGRJYBYVCSSMD-UHFFFAOYSA-N	408.526	3.554	10	20	HHCD	
CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1c(O)ccc2cc(Br)ccc12	746654359	YABSYMKZYXYKKU-OZOXKJRCSA-N	419.363	3.991	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	743339764	YDBFYMJNPJZITI-OALUTQOASA-N	418.534	3.689	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)c(C)n1-c1ccccn1	920292652	GZQIXWUKTUCCMG-IBGZPJMESA-N	418.541	3.640	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCOCC2)cc1	920872305	RSWXICYAGITJAK-IAGOWNOFSA-N	422.529	3.529	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)cc(OC)c1OC	759219397	AQKWBUBUMHRYTN-IAGOWNOFSA-N	416.543	3.535	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1ncccc1F	752180834	NRQIZEFHDNQANB-XNTDXEJSSA-N	421.544	3.580	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)cs1	753978849	WCLUXACMYOPYPV-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc(OC(F)F)cc3)CC2)cc(OC)c1OC	759879014	QNPCSTAZFFOLDM-UHFFFAOYSA-N	408.445	3.636	10	20	HHCD	
CCCCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C1(C)C	752916867	VYRZXTDDFCYPRU-LEWJYISDSA-N	403.567	3.648	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc([S@@](C)=O)cc1	756057067	NRVLMCDLNFGZLM-WVDZOPJMSA-N	417.600	3.538	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN(C)Cc3nnc4n3CCC4)c2C)c1	754665425	CJLDEVFFGYNCJR-UHFFFAOYSA-N	409.559	3.668	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H](C)c3cccc4ccccc34)CC2)cc1	754104789	GQSRSSQLNXVRCT-OFNKIYASSA-N	419.569	3.682	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cc1	753709457	IAXLEDURCJOUJZ-UHFFFAOYSA-N	400.544	3.668	10	20	HHCD	
COC[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(F)c(F)c1	764807794	VUGQSUUBDLPVCC-OAHLLOKOSA-N	415.234	3.620	10	20	HHCD	
COc1ccc2c(c1)[C@@H](C(=O)N[C@@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CC2	762101396	WLFSLJXADAGASF-QUCCMNQESA-N	414.933	3.865	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1	769121794	UFFBCXUATQSTEO-RPWUZVMVSA-N	413.525	3.987	10	20	HHCD	
COC(=O)c1cc(NC(=O)N(C)Cc2ccccc2O)cc(Br)c1F	763900496	HYOUNOHDQGSZCC-UHFFFAOYSA-N	411.227	3.744	10	20	HHCD	
Cc1cc(N2CCOCC2)ccc1NC(=O)NCc1cccc(Br)c1O	765227454	OWRMDZBRKPIPCL-UHFFFAOYSA-N	420.307	3.621	10	20	HHCD	
COc1cccc(CCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	768911902	JQSLIRUDMOPYDL-IBGZPJMESA-N	402.922	3.768	10	20	HHCD	
COc1cc(Br)c(OC)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1	1115919198	RLSIIXSYIKLBNM-UHFFFAOYSA-N	411.271	3.601	10	20	HHCD	
CC[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1O	775518054	CFCFGXRRNQHMGI-QZTJIDSGSA-N	403.320	3.997	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)c2ccoc2C)cc1	771341787	UGZHAHKVSIZKRC-UHFFFAOYSA-N	421.497	3.626	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1	776197516	ULASKAKPOPAGCX-QFIPXVFZSA-N	409.509	3.946	10	20	HHCD	
COCc1noc(COC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1	777070268	FSZAHJZAWAYQNY-UHFFFAOYSA-N	420.263	3.743	10	20	HHCD	
NS(=O)(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	775518463	WTWVMXZUTKZBEU-OAHLLOKOSA-N	401.492	3.634	10	20	HHCD	
Cc1ccsc1CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	773505932	NMDGZGCHAOEJIG-IYBDPMFKSA-N	405.539	3.851	10	20	HHCD	
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cc(Cl)ccc1Cl	779216884	WSFYCFQLOANZLB-SECBINFHSA-N	403.287	3.562	10	20	HHCD	
COc1cc(O)c(CN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1OC	776175712	XAKRFOLIPGCBAH-AWEZNQCLSA-N	412.408	3.677	10	20	HHCD	
O=C(COc1ccc2ccccc2c1Br)NCCc1ccc(O)c(O)c1	770630399	LYEOWRJYQLHBBN-UHFFFAOYSA-N	416.271	3.751	10	20	HHCD	
Cc1cc(C(=O)Nc2cn3cc(Br)ncc3n2)c(C)n1-c1ccccn1	771590798	PRDSAXLHPXYVAD-UHFFFAOYSA-N	411.263	3.547	10	20	HHCD	
O=C1N[C@H](c2ccccc2)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	777626025	XPPOBEYQXKQAPG-GOSISDBHSA-N	401.413	3.550	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)CC1	771519760	HZMLDKAQABTRDI-RGEXLXHISA-N	413.543	3.983	10	20	HHCD	
CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1	782012449	DNIAFLJDOVSNLC-SCWSEQNSSA-N	408.970	3.968	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@H](Oc2cccc(F)c2)C1)c1ccc(N2CCOCC2)cc1	784248704	WRZCXTKIIRPPCL-VGSWGCGISA-N	413.493	3.586	10	20	HHCD	
Cc1ccc(F)cc1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	781686878	ZBOIGCRWHZMWGY-OAHLLOKOSA-N	406.404	3.703	10	20	HHCD	
CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788936296	JOYJKJYZJOWFNN-UHFFFAOYSA-N	405.951	3.667	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1	785295058	QESWEKDYVOCSQN-AWEZNQCLSA-N	424.428	3.715	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)cc1	784113943	UQASBRUJGCKZIT-UHFFFAOYSA-N	417.513	3.676	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cc(F)ccc1OC	789061448	KZXRTTAKTIKASF-HNNXBMFYSA-N	402.466	3.546	10	20	HHCD	
COC(=O)[C@@H](Cc1ccc(F)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	783570911	JVPWISYFHBEJSP-YLJYHZDGSA-N	422.447	3.770	10	20	HHCD	
Cc1ccc([C@@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2)c(C)c1	792037894	FVZOZXIXWUOFLE-HXUWFJFHSA-N	411.521	3.978	10	20	HHCD	
CC[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1O	796677873	XNXYZVYOHVNCNW-HXUWFJFHSA-N	406.523	3.947	10	20	HHCD	
CCn1cc([C@H]2C[S@](=O)CCN2Cc2c(O)ccc3oc4c(c23)CCCC4)cn1	792715580	SDGXHGNSSYSUJM-LDLUVENISA-N	413.543	3.539	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](C)[S@@](=O)[C@H](C)C2)c(C)n1-c1ccccc1Br	791174568	WTDUICIYYSGVDB-UXYJLEPLSA-N	423.376	3.838	10	20	HHCD	
C[C@@H](NC(=O)Nc1nc(-c2ccccc2)ns1)c1ccc(N2CCOCC2)cc1	65829040	WBTADFMJPNKYDE-OAHLLOKOSA-N	409.515	3.924	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cnc(-c4ccccc4)nc3)cc2F)C[C@@H](C)O1	109269725	CBHTYOYNLXTGLA-IAGOWNOFSA-N	420.488	3.826	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCCNC(=O)c2cccc(O)c2)c1C	110466053	QSDROHFRVDSSNC-UHFFFAOYSA-N	405.498	3.658	10	20	HHCD	
Cc1c(CNC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)n(C)c2ccccc12	471229071	ZWBYVZLLCKLTSQ-NRFANRHFSA-N	413.468	3.836	10	20	HHCD	
Cc1c(CNC(=O)N2CCN(c3ncnc4ccsc34)CC2)n(C)c2ccccc12	472285668	XZUOQHTVNXZOII-UHFFFAOYSA-N	420.542	3.523	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCN(C4CCCCC4)C3=O)ccc21	675909660	OUAZAUCCNLBGSC-OAQYLSRUSA-N	411.546	3.568	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CC(c2ccccc2)=NO1	726566785	FDDKMBDCJUEYCD-FQEVSTJZSA-N	415.440	3.566	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2sccc2-n2c(C)ccc2C)c1	727407066	PWOIDHRYLDEGOY-HNNXBMFYSA-N	417.556	3.555	10	20	HHCD	
Cc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(O)c(C(C)(C)C)c1	728195994	MZNCOOOZKCTZCD-UHFFFAOYSA-N	417.531	3.926	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3cc(=O)n4cc(C)ccc4n3)ccc21	728465626	OAMZJORDDCXNCC-UHFFFAOYSA-N	419.481	3.578	10	20	HHCD	
O=C1OC(c2c(F)cccc2Cl)=N/C1=C/c1ccc(N2CCOCC2)c(F)c1	730466695	PUKWOEZQKCOBCW-LFIBNONCSA-N	404.800	3.799	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(F)ccc1N1CCOCC1	730769147	AIGJBBUNEOBZTO-UHFFFAOYSA-N	411.521	3.925	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4c(N(C)C)ncnc43)c2C)cc1C	731567641	YWGOXXHSCYVXIS-UHFFFAOYSA-N	402.502	3.800	10	20	HHCD	
CCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	735520360	YWLKDFNXGQKUMJ-FQEVSTJZSA-N	421.497	3.798	10	20	HHCD	
CCN1CCN(c2ccc(CNc3cnc4cc(F)c(F)cc4n3)cc2F)CC1	736286981	CXLJMVKOTSZDAQ-UHFFFAOYSA-N	401.436	3.801	10	20	HHCD	
Cc1cc(C(=O)CN(C)Cc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1	740887467	VABGIVAJZIMIAT-UHFFFAOYSA-N	410.539	3.812	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(CC(F)(F)F)cc3)CC2)cc1	742262632	YKCZCVUSTHCEAF-UHFFFAOYSA-N	407.436	3.561	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nc3C)CC2)cc1	742471049	MCQYTKWFLGLWSO-UHFFFAOYSA-N	410.905	3.805	10	20	HHCD	
C[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1ccc(Cl)cc1	743706515	WSMRLUWJBXPMAT-QGZVFWFLSA-N	417.937	3.786	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(N2CCCCC2)c1	743956867	XYISYVLJPYVANT-UHFFFAOYSA-N	407.514	3.516	10	20	HHCD	
CCNC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C	746278088	ZFBJZNFRRIVQSW-UHFFFAOYSA-N	420.351	3.749	10	20	HHCD	
O=C(NCCC1CCN(CC(F)(F)F)CC1)NCc1ccc(N2CCCC2)cc1	748960641	PTZMIJHIOLCPPJ-UHFFFAOYSA-N	412.500	3.750	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(CN4CCN(C)CC4)CC3)c2C)c1	749386048	PVQITGVVWYQBCS-UHFFFAOYSA-N	422.617	3.811	10	20	HHCD	
Cc1nc(CCCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cs1	749910822	FXOKOMFEKPMWJE-HUUCEWRRSA-N	405.539	3.843	10	20	HHCD	
Cc1cnc([C@@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1	750224605	FFWZYHJAUALPSP-LLVKDONJSA-N	421.434	3.626	10	20	HHCD	
COc1cc(OC)c2cc(CCCNC(=O)NCc3ccc(N(C)C)cc3)[nH]c2c1	753839897	MCCGCPDLTVZEPZ-UHFFFAOYSA-N	410.518	3.683	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H](C)c3cccc4ccccc34)CC2)cc1	754104786	GQSRSSQLNXVRCT-NZQKXSOJSA-N	419.569	3.682	10	20	HHCD	
C[C@H](NCC1(N2CCCCC2)CCOCC1)c1cc(Br)c(F)cc1O	756704639	IPCFFYGJFHUFPI-AWEZNQCLSA-N	415.347	3.980	10	20	HHCD	
CC(C)Sc1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1O	765925692	JTZPUJNMVNDIGK-UHFFFAOYSA-N	423.332	3.910	10	20	HHCD	
Cc1ccc(C)c(N2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1	766893312	JLAMHWMUBRNVBL-OAQYLSRUSA-N	422.573	3.733	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(C(F)F)CC1	767050564	BDOSLNCLBDJXIP-CQSZACIVSA-N	403.420	3.944	10	20	HHCD	
COc1ccc(Br)cc1[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768444968	ONRZOCOLSGYMJA-SJLPKXTDSA-N	420.303	3.926	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1O	769210771	MWJFBYGDEPGVQU-UHFFFAOYSA-N	415.837	3.778	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1O	769388604	UABAHTQKPKKVIA-CYBMUJFWSA-N	413.356	3.538	10	20	HHCD	
C[C@@H](c1ccco1)N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769674870	SFBAFGTZERFQJS-LBPRGKRZSA-N	406.485	3.681	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c(Br)c1	770255538	UVELUCJLYAGMDH-UHFFFAOYSA-N	418.335	3.729	10	20	HHCD	
Cc1cc(N2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)nc(C(C)C)n1	773631946	ZRNDVSHVAFAMEL-SFHVURJKSA-N	410.566	3.567	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1	773745486	KREVOMTWFHUJJO-AAEUAGOBSA-N	423.296	3.505	10	20	HHCD	
CC[C@H](CSC)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	774218376	QCFIMLREEMCMIU-GFCCVEGCSA-N	412.467	3.584	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cc([N+](=O)[O-])ccc1O	774509401	PONUHMGGHSHMRF-BZNIZROVSA-N	420.263	3.519	10	20	HHCD	
CCOc1cccc([C@H]2C[C@H]2NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	775779248	VOYXUURQKGVCAR-DHIUTWEWSA-N	409.530	3.918	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNC[C@H]1COC2(CCCC2)O1	776257085	WMMCONUXOKXBPF-LBPRGKRZSA-N	421.129	3.693	10	20	HHCD	
CC(C)(C)Oc1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cn1	778621381	VTUUGAAXZOMEQR-UHFFFAOYSA-N	414.575	3.812	10	20	HHCD	
CCCCNC(=O)C1(NCc2cc(Br)cc(OC)c2O)CCCCC1	779173253	DFKBCCWFUFXWBK-UHFFFAOYSA-N	413.356	3.872	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nc1Br	781600918	FJIXRBHJOMRAPE-UHFFFAOYSA-N	404.308	3.724	10	20	HHCD	
Cc1ccn(-c2ccccc2NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1	783315378	ATDWEVXPUCLPIJ-UHFFFAOYSA-N	419.529	3.622	10	20	HHCD	
CCNC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	784058928	CJCLIZKGOQLELF-UHFFFAOYSA-N	423.517	3.715	10	20	HHCD	
CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)oc12	785536598	CFHPGHLMZZCWJD-HZPDHXFCSA-N	423.513	3.952	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1ccc(N(CC)CC)cc1)[C@@H]1CCCc2cccnc21	788939746	NFIANCAUJPFMEX-JOCHJYFZSA-N	422.573	3.860	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)cc1	789896247	SVFOZZGPLWYODY-UHFFFAOYSA-N	416.953	3.616	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1cccc(Oc2ccccc2)c1	789917152	WZFVDVOURYWOFZ-UHFFFAOYSA-N	417.509	3.786	10	20	HHCD	
CO[C@@]1(C)CCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	792882240	PVKNCXLDMYTRDS-JKSBSHDWSA-N	407.530	3.540	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	793470221	ULYDHVZSNJUMKW-KRWDZBQOSA-N	421.463	3.933	10	20	HHCD	
CN1C(=O)/C(=C\c2cn(C)nc2-c2cccs2)c2cc(Br)cnc21	794877697	LBHPKMRDRDZIDB-MLPAPPSSSA-N	401.289	3.823	10	20	HHCD	
CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	795556009	FUWCBDRQGFCKML-UHFFFAOYSA-N	416.543	3.829	10	20	HHCD	
C[C@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	796812756	BHSPBDZJTIVRMA-QGZVFWFLSA-N	409.505	3.694	10	20	HHCD	
CC(C)c1ncc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cn1	797055397	VMTOFJPXYUFWMR-INIZCTEOSA-N	403.486	3.915	10	20	HHCD	
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCCCC3)cc2)cc1	798935985	YTRSMAGZIGNFNJ-HSZRJFAPSA-N	421.541	3.607	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](O)c2cccc(Br)c2)cc1	799885511	HTVQSUMRZHXQKQ-IBGZPJMESA-N	420.351	3.828	10	20	HHCD	
C[C@@H](CCNS(=O)(=O)c1ccccc1)NCc1cc(-c2ccccc2)ccc1O	801734834	KARSSYGCMVDYHR-SFHVURJKSA-N	410.539	3.906	10	20	HHCD	
C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	804006112	UALMZUROUYXMAQ-CQSZACIVSA-N	422.356	3.765	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CN3C(=O)N[C@H](CC(F)(F)F)C3=O)cc2Cl)C1	804188075	JMDFXORNCZEMTD-BXUZGUMPSA-N	403.832	3.949	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N(C)Cc2nncn2C)c(C)n1-c1ccc(OC(F)F)cc1	805823968	RQYKRLOFGBBRIO-HNNXBMFYSA-N	417.460	3.527	10	20	HHCD	
CCc1nc([C@@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cs1	806116643	SODNGUWOBJGRCE-OAHLLOKOSA-N	415.559	3.950	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccccc1CN1C(=O)CCC1=O	806231850	PEDLMPVFZQYXOF-UHFFFAOYSA-N	422.268	3.670	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(SC(F)F)nc1	807512335	SZNVSEXJLDMLOM-UHFFFAOYSA-N	422.240	3.664	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1	808095821	UMAZLKOJOWZYJL-UHFFFAOYSA-N	403.454	3.651	10	20	HHCD	
COc1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1S(N)(=O)=O	808439406	FMDAWMMWTOKDQF-UHFFFAOYSA-N	423.538	3.517	10	20	HHCD	
C[C@@H](NCc1ccncc1OCCCN(C)C)c1ccc(Br)cc1O	808719046	CKUUQOLAZBFICG-CQSZACIVSA-N	408.340	3.731	10	20	HHCD	
C[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC[C@H]1N1CCN(C)CC1	809585216	FGSVNNXERVSOPO-ATIYNZHBSA-N	418.629	3.707	10	20	HHCD	
COc1cc(F)c(F)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	810272524	NDPIFUSCLYRWTN-UHFFFAOYSA-N	405.445	3.504	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2	915219047	ITECJQRHSMOVHC-UHFFFAOYSA-N	401.469	3.926	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2)cs1	915290355	RTHISMQKCCCYNJ-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2	915757000	IMYLCHUJBAWOSL-FQEVSTJZSA-N	414.469	3.813	10	20	HHCD	
O=C(COc1cccc(Br)c1)NCc1ccc(N2CCSCC2)cc1	917384485	ZRELPLPMQQSIAL-UHFFFAOYSA-N	421.360	3.698	10	20	HHCD	
Cc1cc(C)c2cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)sc2n1	917832891	JFHGRYOYBSIWSX-QGZVFWFLSA-N	422.554	3.545	10	20	HHCD	
CN(CCCNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1F	918130264	OBNOCEZVADTWQJ-UHFFFAOYSA-N	416.566	3.705	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1OC	918208769	RMXUDSIADBRZSV-JOCHJYFZSA-N	411.546	3.854	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(OC(F)F)c1	918311598	VNOMVPNHVHRGAA-UHFFFAOYSA-N	417.456	3.875	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(Cc2ccco2)CC1	918316511	ZDYSAPWQNRIGKN-UHFFFAOYSA-N	417.469	3.978	10	20	HHCD	
C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1	919788652	SGWQZGPTYCEGBF-OALUTQOASA-N	418.651	3.796	10	20	HHCD	
O=C(/C=C\c1ccccc1OC(F)(F)F)NCc1ccc(N2CCOCC2)cc1	919859811	HEZSPWPWJCEAQV-YFHOEESVSA-N	406.404	3.751	10	20	HHCD	
COc1ccc2oc(C)c(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2c1	919968960	SNTNSTNBKDKFHI-UHFFFAOYSA-N	408.498	3.889	10	20	HHCD	
CC(C)N(C)Cc1ccccc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	920872649	VXSRJQKYCJHZMJ-FQEVSTJZSA-N	424.589	3.924	10	20	HHCD	
CCN1CCN(c2ccc(CNc3cc(COC)nc(C(C)(C)C)n3)cc2F)CC1	1116356819	XRCJXIRWGUEBIG-UHFFFAOYSA-N	415.557	3.814	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1ccc(-n2cnc3ccccc32)nc1	1319615037	GMEHHGHDZKSXNT-UHFFFAOYSA-N	424.555	3.859	10	20	HHCD	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(Cl)ccc3nonc23)c1	1325345701	OVJMLEYIBBPPOC-UHFFFAOYSA-N	400.243	3.576	10	20	HHCD	
COc1ccc(CNC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c(O)c1	1327785654	NZNHZTAYAVJMCR-SEJPIABJSA-N	409.530	3.786	10	20	HHCD	
Cc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc(C)c1OC(F)F	7166665	USTGSKRFCHGUIQ-WQLSENKSSA-N	401.456	3.971	10	20	HHCD	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)NC1=S	8207890	SAKCDXMNQIBMSN-QGOAFFKASA-N	413.930	3.747	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	11853399	HOISUORTLQIYNC-UHFFFAOYSA-N	421.463	3.656	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N[C@@H](c3ccc(C)cc3)C3CC3)CC2)cc1	108095819	ZUMAMNDPIMEMCX-VWLOTQADSA-N	407.558	3.783	10	20	HHCD	
CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1	116223571	JLHSEPHVBXDJDA-UHFFFAOYSA-N	401.532	3.504	10	20	HHCD	
Cc1cccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1C	139821299	XJPJRUQFDZERDF-UHFFFAOYSA-N	405.521	3.849	10	20	HHCD	
Fc1cc(CNc2nc3ccccc3nc2N2CCCC2)ccc1N1CCOCC1	301878521	LDFUBWXGMPERMH-UHFFFAOYSA-N	407.493	3.818	10	20	HHCD	
Cc1cc(N(Cc2ccco2)Cc2ccccc2O)n2nc(C(F)(F)F)nc2n1	301990091	MMODZEZUSCQENK-UHFFFAOYSA-N	403.364	3.957	10	20	HHCD	
COc1ccc(N2CCC(Nc3nn4cc(-c5cccnc5)nc4s3)CC2)cc1	302064189	CIZFYCHWTUDXNW-UHFFFAOYSA-N	406.515	3.942	10	20	HHCD	
CN(C)c1ccc(CNc2ncc(Cn3cc(Br)cn3)s2)cc1F	302798265	BANYIANMCJJTMW-UHFFFAOYSA-N	410.316	3.968	10	20	HHCD	
Cc1ccc(CN(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)cc1	303450310	IFOZVNWXVALLRP-QHCPKHFHSA-N	408.542	3.873	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCOc2cc(N(C)C)ccc21	437024246	JPFVCMROAHSVPQ-LBPRGKRZSA-N	423.282	3.847	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cccc(N3CCC(C)CC3)c2)n(C)c2ccccc12	472811717	ONIFBKYJXZGQST-UHFFFAOYSA-N	418.541	3.978	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2ccc(Br)cc2)CC1	475933568	OACPVFBNGHPKRU-UHFFFAOYSA-N	401.304	3.972	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)c1	726797024	UNPULTJWULYTGE-NRFANRHFSA-N	404.422	3.959	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1	730136673	ROMZFFJOYCCFFQ-SFHVURJKSA-N	402.489	3.841	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CSc3ccc(F)cc3)cc2F)CC1	730192490	BRRXJSQTFKNTOH-UHFFFAOYSA-N	405.514	3.515	10	20	HHCD	
CCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731131927	OXOPESLKQKSTCG-UHFFFAOYSA-N	409.530	3.885	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1F	731346385	VNCYHNYBXORUEW-QFIPXVFZSA-N	411.521	3.983	10	20	HHCD	
Cc1noc(C)c1[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	733802389	DSEZJAMKYHZJRH-LBPRGKRZSA-N	408.449	3.922	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(OCCC(C)C)c(OC)c2)c1	734065092	VIOSBFWYTWJLSV-UHFFFAOYSA-N	402.491	3.834	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1	734470327	BFUOHXQLKCKBAB-UHFFFAOYSA-N	423.538	3.792	10	20	HHCD	
Cc1cccnc1[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C	734535960	XAFMAJVOXSSAPX-NRFANRHFSA-N	414.525	3.687	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1	743666995	SISDPJLORVPAQK-IEBWSBKVSA-N	404.555	3.635	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)Oc2ccc(Br)cc2)c1	743705364	OZQMPVRLBWYSPA-QWHCGFSZSA-N	423.307	3.991	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)ccc1Br	743955934	NIEUXHSZKSGTLL-UHFFFAOYSA-N	417.303	3.597	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)cc2F)CC1	745808938	OQOXJEOJULZPJQ-HSALFYBXSA-N	402.558	3.736	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(n2ccnc2)CC1	745906167	XWGGDLFGXMQZBT-MRXNPFEDSA-N	419.476	3.500	10	20	HHCD	
CCOc1ccc(-c2noc(CCC(=O)NCc3ccc(N(C)C)c(F)c3)n2)cc1	746802973	JOGYOJWVVHVCPM-UHFFFAOYSA-N	412.465	3.589	10	20	HHCD	
O=C(NC1CCC(N2CCCCC2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	751110622	QIOFPHSVOCLONH-HRTMPFAESA-N	415.578	3.880	10	20	HHCD	
C[C@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1F	751859915	CEJOEHLGJCJODX-OAHLLOKOSA-N	404.457	3.726	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)CC2)cc1F	753920567	XAXLPMZDFRBYCF-UZLBHIALSA-N	407.530	3.507	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(N(C)C)cc1	756174514	GZUFDJLBWIAZPR-JLHGSKIFSA-N	406.530	3.557	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1	756611617	UHFZZRUBRWZKHS-HNNXBMFYSA-N	424.588	3.530	10	20	HHCD	
Cc1cc(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)c(C)n1-c1ccccn1	756985805	JMARZPKUDRPWTQ-UHFFFAOYSA-N	415.396	3.749	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1ccc(N2CCCCCC2)cc1	759596929	WSUDKUYUJOCFEP-WUXMJOGZSA-N	410.470	3.673	10	20	HHCD	
CCn1nc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1Cl	761984174	XOAFDQICVTWEPJ-HNNXBMFYSA-N	411.333	3.618	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Br)ncc1F	762730303	BGRNTSILYUETAH-GFCCVEGCSA-N	412.278	3.810	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COc3ccccc3S(N)(=O)=O)c2C)c1	763274840	HXPFMFMVHVBRBR-UHFFFAOYSA-N	412.511	3.620	10	20	HHCD	
CCOC(=O)[C@@H](Cc1cccc2ccccc12)NCc1cc(OC)c(OC)cc1O	763370498	LBCOIYSBHSTDSN-HXUWFJFHSA-N	409.482	3.827	10	20	HHCD	
C[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(N(C)C)cc1	764636679	UCTBHTKNMDCHJL-GOSISDBHSA-N	401.576	3.778	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1F	765330743	ZMJXEIPQYXPUKS-AVRDEDQJSA-N	413.493	3.586	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2O)ccc1OC(C)C	765902895	FTBHPQRHWIMUMP-UHFFFAOYSA-N	421.291	3.505	10	20	HHCD	
Cc1noc(C2CC2)c1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	767890757	OSJDGSXAOBOHQV-CHWSQXEVSA-N	402.470	3.935	10	20	HHCD	
COc1cc(Br)cc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1O	768245767	DIWRZKRUGJLUHX-UHFFFAOYSA-N	415.328	3.606	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cccc(F)c43)cc2F)C[C@H](C)O1	769033272	LORGLSPOMFYULQ-GJZGRUSLSA-N	401.457	3.851	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCC(Oc3ncccc3F)CC2)c1O	773350007	FUDIIVASMLTMKG-UHFFFAOYSA-N	422.456	3.906	10	20	HHCD	
CCc1cnccc1[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	773506582	QQRTUSIEYMAHFY-BBWFWOEESA-N	414.525	3.957	10	20	HHCD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773744852	FGNCXGFKVODQQI-CYBMUJFWSA-N	413.905	3.974	10	20	HHCD	
CCOc1ccc(-c2noc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1	775253360	BDLWIWLVPDWDKA-KRWDZBQOSA-N	408.502	3.823	10	20	HHCD	
Cc1cc(Br)cc(CN2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1O	775737769	SFBPNJXGJHYBIQ-JKSUJKDBSA-N	412.349	3.849	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@@](O)(c4ccc(F)cc4)C3)cc2)CC1	776914038	UKKNDDKPLKUWOO-DEOSSOPVSA-N	411.521	3.865	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1	778620878	QYOJXLNLKCBVES-NFBKMPQASA-N	406.574	3.997	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)cc1	778625910	CHBLTJJGKOSSJW-KKSFZXQISA-N	413.493	3.936	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(CC(=O)OC)c1	778991325	MRNRTQPHGFYBHM-UHFFFAOYSA-N	406.276	3.533	10	20	HHCD	
Cn1nc(Br)cc1/C=C1/SC(=S)N(Cc2cccs2)C1=O	779202434	BCLGMDJQYOXASR-BJMVGYQFSA-N	400.348	3.646	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1	779483098	BAHYNNRQLUMMCP-ZRDIBKRKSA-N	423.490	3.865	10	20	HHCD	
CCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1cccc(N2CCCC2)c1	779509782	HYHQHFZLSNBCCT-ZAHGZRRWSA-N	423.513	3.635	10	20	HHCD	
CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)/C=C\c1ccc(O)c(O)c1	779532776	SSERZUOQRBVYCY-DQOPKJQZSA-N	424.280	3.708	10	20	HHCD	
O=C(N=c1cc[nH]cc1Br)N(Cc1ccco1)Cc1ccccc1O	780626540	URSGZTLQPVOULL-UHFFFAOYSA-N	402.248	3.799	10	20	HHCD	
CO[C@H](C)c1nc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cs1	781987614	XMHPRRRHEIQWBZ-GFCCVEGCSA-N	407.447	3.983	10	20	HHCD	
CC(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-]	784073691	SVCOJYSDHTWODU-UHFFFAOYSA-N	401.438	3.624	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccccc2-n2cccn2)cc1	784109583	WCVKBKIJSKYYFW-UHFFFAOYSA-N	403.486	3.616	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1	786153169	SDEQGQBZRLINNZ-GFCCVEGCSA-N	400.470	3.537	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccccc1OC(C)C	787881689	WWVKMLVUKWIRDH-SFHVURJKSA-N	411.546	3.766	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H](c3ccccc3)C(C)(C)C)CC2)cc1	788234258	LGKDIBKBUFLEAX-QFIPXVFZSA-N	423.557	3.684	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H](O)c1ccccc1	788873853	FYUFPKCSTXNFBV-FCHUYYIVSA-N	413.587	3.797	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3F)n2)c[nH]1	789727297	KTFCBNZFHJNFQA-UHFFFAOYSA-N	415.855	3.518	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCCc2ccc(F)cc21	792886108	YQUWSCIJRATFNF-HSZRJFAPSA-N	411.521	3.911	10	20	HHCD	
CN(C)C(=O)Nc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	794754110	MCNIKHLCFZONSY-UHFFFAOYSA-N	411.506	3.968	10	20	HHCD	
COC(=O)C(C)(C)C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	795204416	PBFPLSJMYGBWMQ-MRXNPFEDSA-N	402.516	3.590	10	20	HHCD	
COc1cncc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1	799119806	IEWJXRBTHJKICM-UHFFFAOYSA-N	413.480	3.873	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](OC)C1	802347822	VRSRGVUBNBXOON-FQEVSTJZSA-N	409.534	3.614	10	20	HHCD	
C[C@H](c1ccccn1)N(C)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803676652	BDCWWUPTTUPXFT-GOSISDBHSA-N	408.546	3.686	10	20	HHCD	
Cc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n[nH]1	804814423	UVSLJPGVMSXWIC-LLVKDONJSA-N	402.296	3.774	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CC(C)(C)c3ccccc32)C2CC2)cc1	806649207	ZQACVHGMVHSITN-QFIPXVFZSA-N	405.542	3.782	10	20	HHCD	
O=C(NCCCn1cc(Br)cn1)NCc1cc(Cl)cc(Cl)c1O	807611311	ZTTYJLJZLQVWCU-UHFFFAOYSA-N	422.110	3.548	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1	807673432	SSNSEUVOMFEKOA-AWEZNQCLSA-N	407.436	3.607	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1O	808677971	HGZSCYBXFRYARH-RDJZCZTQSA-N	401.938	3.907	10	20	HHCD	
CCS[C@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	809236888	BWIOEUGNSNJBDE-HKUYNNGSSA-N	416.543	3.695	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C1CCC(OC[C@H]2CCCO2)CC1	815046219	MCKSDDUDIBYGJM-KITAHSCOSA-N	418.603	3.610	10	20	HHCD	
Cc1nccnc1CCN[C@H](C)c1cc(Br)cc(Br)c1O	815651192	MXMROEJFCSBJQY-SECBINFHSA-N	415.129	3.909	10	20	HHCD	
COCC1(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOCC1	815665778	QQSZTGJCFVAKSU-UHFFFAOYSA-N	410.474	3.600	10	20	HHCD	
O=C(c1ccccc1OC(F)F)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1	816483981	MBKJKSXEASKUGB-UHFFFAOYSA-N	414.811	3.744	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2	842479611	ZBLNSDOBMZNYCP-UHFFFAOYSA-N	406.486	3.576	10	20	HHCD	
C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CCC[C@H]1C	881232292	QJCYWEGGHRRLRQ-VBHSOAQHSA-N	406.438	3.925	10	20	HHCD	
COC(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1	917871937	AGIUCVIPEQOJSW-UHFFFAOYSA-N	424.525	3.533	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	917954511	ONPCLZFYWMNRMV-UHFFFAOYSA-N	424.467	3.766	10	20	HHCD	
CC1CCN([C@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C(C)C)CC1	918212770	YDBPXBCAICELNL-JOCHJYFZSA-N	418.651	3.796	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccnc3)C2)cc1	1842393505	LETASJOWAFZMPF-UHFFFAOYSA-N	414.509	3.620	10	20	HHCD	
COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)cc(O)c1O	21360574	ARDTUJXEJQLXDU-JOCHJYFZSA-N	420.421	3.649	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3)CC2)cc1	195547058	JTXRCHLMVSUOSU-UHFFFAOYSA-N	424.545	3.825	10	20	HHCD	
C[C@H](Cc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)o1)c1ccccc1	302704719	WWEBDRTYTUGDMQ-MRXNPFEDSA-N	410.543	3.890	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4nc(C)cs4)CC3)ccc21	484718839	BAKRBGJMRGXTIA-UHFFFAOYSA-N	412.559	3.632	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1	542023916	SNAOCOCPAUOBRS-QGZVFWFLSA-N	415.465	3.880	10	20	HHCD	
C[C@@H]1CN(C(C)(C)CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1	725844214	LBRFMZPKDHGXHH-QZTJIDSGSA-N	404.555	3.563	10	20	HHCD	
CCOc1cc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c([N+](=O)[O-])cc1OCC	729033309	JMHNTLKXBHFIDP-GFCCVEGCSA-N	419.434	3.989	10	20	HHCD	
CCN(C1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1)S(C)(=O)=O	731350822	DVQUCYSZYJREKZ-UHFFFAOYSA-N	402.516	3.538	10	20	HHCD	
C[C@@H]1CCCC[C@H]1OCCNC(=O)CN(Cc1ccco1)Cc1ccccc1O	732202488	SPHBNPZTVXQYSS-XMSQKQJNSA-N	400.519	3.699	10	20	HHCD	
COc1cccc([C@H](O)CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1	732484825	MMHJIXRVRZLSKT-OAQYLSRUSA-N	418.453	3.899	10	20	HHCD	
COC(=O)CCc1nc(COC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)no1	733465948	WFHNPIWQRRSBCY-UHFFFAOYSA-N	417.849	3.593	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)cc1F	733666345	QXNLQHOJLKXAKR-UHFFFAOYSA-N	413.493	3.716	10	20	HHCD	
O=C([C@@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735518712	JYJGXHVTVTUACJ-PKTZIBPZSA-N	408.542	3.812	10	20	HHCD	
C[C@H](NC(=O)NCc1ccccc1OCC1CC1)c1ccc(N2CCOCC2)cc1	740474267	HHFGMRSWIVMNDR-SFHVURJKSA-N	409.530	3.872	10	20	HHCD	
CC(C)=CCOc1cccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	741915288	SPQHGWVLMDPUQT-OAQYLSRUSA-N	421.541	3.663	10	20	HHCD	
O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799037	SOBDBXMUUQHBQM-OAHLLOKOSA-N	405.401	3.524	10	20	HHCD	
CC(C)(C)N1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	743557823	OCYPJQXPSOKWQG-QGZVFWFLSA-N	424.536	3.819	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)cc2OC(F)F)cc1	743890268	HUIFGZBNPOKKCJ-UHFFFAOYSA-N	423.435	3.870	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc(CN(C)C)c1	745557352	TXMDGHLTBWOUTN-UHFFFAOYSA-N	420.351	3.948	10	20	HHCD	
CC(C)[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)NC(=O)OC(C)(C)C	745828136	OMBHFEBXJYIRNV-SFHVURJKSA-N	405.539	3.620	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c(C)n1-c1ccc(F)cc1	746295156	YAHPZXQKZFQFEZ-KRWDZBQOSA-N	411.399	3.516	10	20	HHCD	
Cc1nn(-c2ccccc2)c2nc(C(=O)NCc3ccc(N(C)C)c(F)c3)ccc12	746804244	WDABKFUVGDLKSE-UHFFFAOYSA-N	403.461	3.864	10	20	HHCD	
CCOc1cccc([C@H]2NC3(CCCC3)C(=O)N2c2ccc(OC)c(OC)c2)c1O	747441280	UXBPRSZRKNITGG-NRFANRHFSA-N	412.486	3.756	10	20	HHCD	
Cc1c(NC(=O)NCc2ccc3c(c2)CCCN3C)cccc1C(=O)N1CCCC1	748995394	QUERRLKKBDKIMH-UHFFFAOYSA-N	406.530	3.935	10	20	HHCD	
Cc1cc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c2[nH]c(C)c(C)c2c1	749008930	FMJIVWSFIAUPDS-UHFFFAOYSA-N	406.530	3.929	10	20	HHCD	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)c(F)c1	751946214	XWDSQMMTNIJSLP-ZDUSSCGKSA-N	413.474	3.948	10	20	HHCD	
COCCNC(=O)[C@H](Cc1ccccc1)NCc1cc(-c2ccccc2)ccc1O	752100090	FUWDPWNBILUIBS-QHCPKHFHSA-N	404.510	3.523	10	20	HHCD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	753644384	LLIAVMNDCGBRPI-LBPRGKRZSA-N	417.868	3.805	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(-n4cccn4)c(F)c3)CC2)cc1F	753839154	JDTXVHJQILSDEN-UHFFFAOYSA-N	413.428	3.513	10	20	HHCD	
Cc1csc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1Br	754184081	UEAIOEKMKDVDJQ-UHFFFAOYSA-N	423.376	3.958	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)c2ccc(N3CCOCC3)nc2)c1C	756312840	BGHXTHNJYJNXHN-UHFFFAOYSA-N	404.514	3.911	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(Br)cc3O)C2=O)cc1	756710147	ATPUGHAHEKSQHB-UGSOOPFHSA-N	419.319	3.615	10	20	HHCD	
COc1ccccc1N1CC[C@@H](N[C@@H](C)c2ccc(Br)cc2O)C1=O	756742773	OEKJRLBYSMCXAX-SWLSCSKDSA-N	405.292	3.619	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1cc2c(cc1OC(F)F)OCO2	756924645	JKQZOUVEPPKTQJ-UHFFFAOYSA-N	419.428	3.616	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CSc3cccc(O)c3)cc2F)C[C@@H](C)O1	758426064	JMQQPIIWYGHHQF-HUUCEWRRSA-N	404.507	3.553	10	20	HHCD	
CC[C@@H](C)n1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C1CC1	760382199	MWIQVJKKZUEATA-OAHLLOKOSA-N	400.498	3.637	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1cc(Br)ccc1O	761499564	PWLHMYSQFCMKLA-GOSISDBHSA-N	419.367	3.542	10	20	HHCD	
O=C(c1ccn(-c2ccc(F)cc2F)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	768324086	QJOVDHIQLHSKBR-KRWDZBQOSA-N	413.424	3.678	10	20	HHCD	
C[C@H](OCc1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	768977847	GKEAORZWAHMDSN-KURKYZTESA-N	400.494	3.661	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCS(=O)(=O)C3(CCCCC3)C2)ccc1N1CCCCC1	770301852	NBGYMXFZQORDHG-UHFFFAOYSA-N	421.563	3.518	10	20	HHCD	
O=C(c1cccc(NCc2cccc(Br)c2O)c1)N1CCC(CO)CC1	770546182	RWWZPFOJLLTPPX-UHFFFAOYSA-N	419.319	3.611	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccc(N3CCCCC3)cc2)s1	773079282	YHLBQDXUXOZDAR-KRWDZBQOSA-N	407.605	3.676	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc(N(C)C)cc1	773857377	NEPRRAIEIYESMK-KRWDZBQOSA-N	402.498	3.554	10	20	HHCD	
C[C@@H]1CN(c2cccc3cnccc23)CCN1Cc1ccc(N2CCOCC2)c(F)c1	775206032	UBZGBVABYLNXFT-LJQANCHMSA-N	420.532	3.921	10	20	HHCD	
Cc1cc(Br)cc(CN2CCc3c(cccc3N3CCOC3=O)C2)c1O	775724608	INSSTDNOENSRKT-UHFFFAOYSA-N	417.303	3.978	10	20	HHCD	
COc1cc(-c2noc(CN[C@H](C)c3ccc(N(C)C)cc3)n2)cc(OC)c1OC	775833956	ILCPPNKAFOGNMT-CQSZACIVSA-N	412.490	3.679	10	20	HHCD	
C[C@@H](NC(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	776243136	CFQOKFZUQYZZES-QRWLVFNGSA-N	414.937	3.914	10	20	HHCD	
C[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(N2CCOCC2)cc1Cl	776844290	LBTPRAOWRMIGJB-HNNXBMFYSA-N	400.910	3.879	10	20	HHCD	
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	777267138	RULICRVVXRDJAS-AZUAARDMSA-N	418.582	3.930	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCC[C@@H]2CCO)sc(C)c1-c1ccccc1	778273628	ZQODQKUIYRIDSU-QGZVFWFLSA-N	416.543	3.686	10	20	HHCD	
O=C1Nc2ccccc2[C@@]12CCN(Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)C2	779194053	VWLLZAHBYKZDKG-QHCPKHFHSA-N	406.486	3.681	10	20	HHCD	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c12	782637940	YAAJYHWZEIKSDP-UHFFFAOYSA-N	422.368	3.788	10	20	HHCD	
C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1ccc2c(c1)CCCN2C	783507703	DRKAUPVYAQHSAM-KRWDZBQOSA-N	420.557	3.924	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](C4(C)OCCO4)C3)cc2)CC1	784307693	LBLCNGSKWFJRMU-HXUWFJFHSA-N	401.551	3.608	10	20	HHCD	
CC(C)Oc1c(F)cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1F	784722623	XWPKKNAJPOFWAL-UHFFFAOYSA-N	418.440	3.591	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CSc3ccc(Br)cc32)c1	787228193	SREHUOINMNQOFC-CQSZACIVSA-N	409.305	3.810	10	20	HHCD	
CCOc1ccc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788935180	BVAVHROKVYOBTJ-HSZRJFAPSA-N	421.541	3.665	10	20	HHCD	
C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNCc3c(O)ccc(Cl)c3F)c2)C1=O	790612125	VPTYKBUVEOWQEO-NRFANRHFSA-N	417.868	3.699	10	20	HHCD	
CN(CCOc1cccc(CNCc2c(O)ccc(Cl)c2F)c1)C1CCOCC1	790955736	WXXQMSRYIQXRQJ-UHFFFAOYSA-N	422.928	3.964	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(O)c1	793042885	LQEUSBCVUODMFZ-CYBMUJFWSA-N	410.301	3.786	10	20	HHCD	
CN1CCN(c2ccc(CNCCc3cccc(OCC(F)(F)F)c3)cc2)CC1	793370769	AACYNQIFNBIGMM-UHFFFAOYSA-N	407.480	3.712	10	20	HHCD	
Cc1cc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1C=O	793687708	AHYYHMUBAFBQCG-IBGZPJMESA-N	400.906	3.869	10	20	HHCD	
CC(C)c1occc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	795014510	HMLVZPKFRICMGK-UHFFFAOYSA-N	423.492	3.589	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3csc4ccccc34)CC2)cc1	795803454	OEDWXDJZRZJTFY-UHFFFAOYSA-N	402.541	3.811	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(N2CCOCC2)cc1Cl	797038212	CGCSGBDXLDSGPG-QZTJIDSGSA-N	420.985	3.507	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)c2nncn2C)c(C)n1-c1ccccc1Br	805418454	XFBCPVTVPWANEC-CYBMUJFWSA-N	403.280	3.903	10	20	HHCD	
C[C@H](Cc1cncc2ccccc12)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	805678256	PHFQNJIUKUQISX-GOSISDBHSA-N	419.525	3.681	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccc(N(C)C)cc1	807677071	LDFOBBZWCKOICB-GOSISDBHSA-N	423.557	3.997	10	20	HHCD	
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1cc(Cl)cc(Cl)c1O	807837104	BEGRLTPGDHYMOA-CQSZACIVSA-N	401.315	3.831	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1	811698077	YQJIBUHHGFYKHA-UHFFFAOYSA-N	409.423	3.599	10	20	HHCD	
NC(=O)NC(=O)OCCCSC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814771730	DDRAMAQMRPLKFU-MDWZMJQESA-N	421.525	3.800	10	20	HHCD	
COCCCNC(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814772184	PUALVURXLCKERD-DHDCSXOGSA-N	406.554	3.758	10	20	HHCD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	815114262	LNGUBTJPEUREHT-QZTJIDSGSA-N	404.514	3.522	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)sc2C)cc1	914790162	FKZNYASHRYTYLD-UHFFFAOYSA-N	401.513	3.635	10	20	HHCD	
Oc1cc2c(cc1CN1CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C1)OCO2	917433258	OPAWHASRBDYGEF-LBPRGKRZSA-N	420.391	3.562	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](c3ncc(C)s3)C3CC3)CC2)cc1	1318892974	FZVKASBCJJDNQX-LJQANCHMSA-N	400.548	3.879	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H](c2ccccc2)c2cnn(C)c2)C2CC2)cc1	1320205884	UXEIRKKREPVKMY-QHCPKHFHSA-N	403.530	3.950	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1F	1321152697	WNKHETIWPHFCOW-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(F)c3Br)CC2)cc1	1326460486	IUJVLOMPGGOIPV-UHFFFAOYSA-N	407.283	3.996	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2ccnn2CCc2ccccc2)cc1)C1=S=CC=C1	1358200129	VNRWROYOFHPLDI-UHFFFAOYSA-N	416.506	3.594	10	20	HHCD	
Cc1ccc2oc(-c3ccc(NC(=O)C4=S=C([S@](=N)(=O)O)C=C4)cc3)nc2c1	1645934818	NRORZYPIVQXPDI-UHFFFAOYSA-N	413.480	3.867	10	20	HHCD	
Cn1cccc1[C@H]1CCCN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	7853954	IHOZCHJKBYZALV-OAQYLSRUSA-N	413.477	3.576	10	20	HHCD	
COc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1O	7885170	XSEAKVLIHORNQE-QFIPXVFZSA-N	404.422	3.896	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2c(O)ccc3ccncc23)CC1	21997430	WELASLOJOJSTBF-UHFFFAOYSA-N	405.454	3.520	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccc(Cn2cccn2)c1)c1ccc(N2CCOCC2)cc1	141814141	LEEQOULMTHIGNG-GOSISDBHSA-N	405.502	3.651	10	20	HHCD	
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(N=Nc2ccccc2)cc1	255373507	HFUVHKIDLKVUGN-VUEDXXQZSA-N	400.438	3.848	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@H](c3ccccc3C)N(C)C)CC2)cc1	807407120	KAXFUOVNNBYZOP-HYBUGGRVSA-N	424.589	3.917	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1	807095737	DXRKUPDGXNIFCQ-HNNXBMFYSA-N	421.463	3.916	10	20	HHCD	
COCCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCO1	802681852	ANJLBXWQPJKDQM-HXUWFJFHSA-N	409.534	3.614	10	20	HHCD	
Cc1noc(C[C@@H](NC(=O)NCc2c(C)c3ccccc3n2C)c2ccccc2)n1	472188999	FUHBYOWANXFIOF-LJQANCHMSA-N	403.486	3.961	10	20	HHCD	
Oc1c(Br)cccc1CNC[C@H](O)c1cccc(Br)c1	800288611	UVAJDHFPKLHLRX-AWEZNQCLSA-N	401.098	3.740	10	20	HHCD	
CC[C@@H]1CCCCCN1C(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	803448982	KIWGOXOZLVVNQG-QGZVFWFLSA-N	423.504	3.554	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1	801168783	JHQUKTUBRBEVHV-UHFFFAOYSA-N	422.522	3.614	10	20	HHCD	
COC(=O)c1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)nc1C1CC1	472222662	RKESDOGVMILPDS-UHFFFAOYSA-N	406.486	3.545	10	20	HHCD	
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(N2CCCC2)cc1	726097148	FQIMAMBUAMRZKY-DEOSSOPVSA-N	421.589	3.878	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1	811701045	RDYQVYDUCKHRFQ-UHFFFAOYSA-N	411.439	3.795	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)COc3cccc(F)c3)CC2)cc1	726613857	RZRMHYAUQBPRNH-MRXNPFEDSA-N	401.482	3.570	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NC3CCC(C)CC3)ccc21	728637425	KTCARZBQCFNLRU-UHFFFAOYSA-N	400.519	3.756	10	20	HHCD	
Cc1cc(C)c2c(c1)N(CN(Cc1ccc(N(C)C)cc1)CC(F)(F)F)C(=O)C2=O	728904147	HRIAVADRJOUMPW-UHFFFAOYSA-N	419.447	3.921	10	20	HHCD	
O=C(CNC(=O)NCc1ccc(N2CCCC2)cc1)Nc1cccc2ccccc12	725864870	SFIKAUWDOYIOQU-UHFFFAOYSA-N	402.498	3.878	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C	734527569	ZOKUYMUAAIWVNP-UHFFFAOYSA-N	406.571	3.896	10	20	HHCD	
CN(C)CCOc1ccc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	733334153	CACPYZICMRWSHZ-OAQYLSRUSA-N	417.981	3.740	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1F	731132251	WXVKDDOVBZHNRQ-UHFFFAOYSA-N	413.493	3.716	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1F	731363475	GRLBESXSYYFHCE-FQEVSTJZSA-N	402.514	3.901	10	20	HHCD	
C[C@@H](Oc1ccccc1Br)C(=O)NCCCSc1nccs1	733974979	SPCLOBXIMVBSHW-LLVKDONJSA-N	401.351	3.972	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1	918304734	WPCZNKNCPASARR-UHFFFAOYSA-N	424.545	3.724	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc(Cl)c1O	915852320	QSDXFMUQLRIHKZ-UKTHLTGXSA-N	415.920	3.900	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCCC[C@@H]3c3ncc[nH]3)cc2F)C[C@@H](C)O1	730119454	KZVHFIRGNQQSRH-GQIGUUNPSA-N	415.513	3.599	10	20	HHCD	
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	742800487	SMHZXYVOGZJAGB-OAHLLOKOSA-N	405.445	3.834	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCC(F)(F)F	742925567	YSGCKZYZDYSVRE-LUAWRHEFSA-N	408.492	3.798	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@H]1c1cccc(F)c1	745646137	AHFUYZMGKLILIX-FQEVSTJZSA-N	401.457	3.583	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(C(C)C)cc4)cc3O)CC2)cc1	743286515	ZNONPAHZCFCBAR-UHFFFAOYSA-N	420.513	3.672	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccn(-c4ccccc4)n3)cc2F)C[C@H](C)O1	918029013	VPQDQWXOTDAPCV-IRXDYDNUSA-N	423.492	3.947	10	20	HHCD	
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	919785632	FSZKULBPQNOMOE-WTIAFYNJSA-N	423.557	3.918	10	20	HHCD	
CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)n2)cc1	914791933	XMKLJWWARAXUCR-UHFFFAOYSA-N	419.553	3.740	10	20	HHCD	
COCc1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1	914527666	UBKPYVVEEANCLH-UHFFFAOYSA-N	416.389	3.769	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cn2cccn2)o1	742806165	PZWZWEFNJNXTFY-OAHLLOKOSA-N	416.428	3.525	10	20	HHCD	
Cc1[nH]nc2ncc(C(=O)OCC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)cc12	744786117	VCTDDVUQEZNKBK-UHFFFAOYSA-N	406.417	3.853	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(CN2CCN(C)CC2)c1	742246224	VZAONKWTFOBDNJ-UHFFFAOYSA-N	408.590	3.551	10	20	HHCD	
CCOCCCN1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[C@@H](C)C1	745826398	ALOXILMWACWDPV-NZQKXSOJSA-N	418.626	3.810	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccncc1	743554590	IMXHGFVWLRJXKL-YRNRMSPPSA-N	400.498	3.785	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)c(C)n1-c1ccccn1	753702289	CKNXBSMTYVLDPA-HKUYNNGSSA-N	411.527	3.515	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(OC)c1	752125482	QUYRRLXVGTYOEV-UHFFFAOYSA-N	405.498	3.937	10	20	HHCD	
CC(C)(C)OC(=O)NC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCC1	753104661	QZAGRPFOAHRMGD-UHFFFAOYSA-N	402.539	3.533	10	20	HHCD	
CCc1cccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	751243276	PAHAIVQWVSQXLY-UHFFFAOYSA-N	410.486	3.798	10	20	HHCD	
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	750670869	OPPGUPBJHDDXSX-FXEKFNFISA-N	405.608	3.898	10	20	HHCD	
CCNC(=O)COc1cccc(CN[C@H](C)c2ccc(Br)cc2O)c1	756434796	ZMKGYIVJFKBJDK-CYBMUJFWSA-N	407.308	3.520	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1)C1CCCCC1	752662220	RZZPZNFHBTXXBY-HXUWFJFHSA-N	410.566	3.669	10	20	HHCD	
CSc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1	751403740	DZEZNMVYAYJXOB-INIZCTEOSA-N	420.966	3.739	10	20	HHCD	
COc1ccc(Cl)cc1[C@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	765255038	OGZBHSBSNYYBNA-RDJZCZTQSA-N	401.938	3.901	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](CN3CCOCC3)c3ccc(C)cc3)CC2)cc1	764702522	YXHKRYXUTCXLDF-VWLOTQADSA-N	409.574	3.636	10	20	HHCD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761983508	SNTKILLHBOQFMG-LQNXUBFPSA-N	416.949	3.681	10	20	HHCD	
CCOc1cccc(CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c1O	768818781	XSQYZTZUAOLOMD-KRWDZBQOSA-N	408.502	3.720	10	20	HHCD	
CNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)c1	765267365	UCSUPPADJLRUDX-SFHVURJKSA-N	401.576	3.826	10	20	HHCD	
Cn1cc(-c2ccccc2CNC(=O)NCc2cccc(Br)c2O)cn1	764799690	KUUDUEOZSVMACU-UHFFFAOYSA-N	415.291	3.555	10	20	HHCD	
COc1cc(NC(=O)NCc2cccc(Br)c2O)cc(OC)c1OC	765212875	UPCWIUFFCKZRJM-UHFFFAOYSA-N	411.252	3.502	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1nccc2ccccc12	764627481	GADZNWGUJKNHDR-UHFFFAOYSA-N	407.539	3.822	10	20	HHCD	
Nc1c(Cl)cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl	763936234	BFLNGVLDCWWTQG-UHFFFAOYSA-N	412.292	3.606	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2F)C[C@H](C)O1	764205519	WDQSPDUXEVIFHZ-STQMWFEESA-N	421.856	3.931	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1	779353150	UHWPDBVVFYKINN-WMZOPIPTSA-N	404.555	3.506	10	20	HHCD	
COC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)c(F)c1	774370585	MMJKQRXEUCUJPD-FXAWDEMLSA-N	420.456	3.749	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1-c1ccc(F)cc1	777423563	CAOOOAYCKNZSPO-HXUWFJFHSA-N	409.461	3.847	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(N(C)C)cc1	773617668	NLKMUKMDOWFZHV-YJYMSZOUSA-N	418.900	3.711	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)c2)CC1	770147161	LJLCHVRZYRUJNK-UHFFFAOYSA-N	422.573	3.857	10	20	HHCD	
COc1c(F)cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1[N+](=O)[O-]	777644404	GJGMELBPYZXUNO-UHFFFAOYSA-N	411.194	3.556	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@@H]3c3ccc(F)cc3F)nc12	770238937	XMJCYULPYFUFBP-GOSISDBHSA-N	416.428	3.617	10	20	HHCD	
COC(=O)COc1cccc(CN[C@@H](C)c2cc(Br)cc(C)c2O)c1	779030609	CDCSHHQUNIZGOF-ZDUSSCGKSA-N	408.292	3.866	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cc2ccncc2)cc1	784026227	SVERXSBVDIDJIM-UHFFFAOYSA-N	403.482	3.755	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	784267369	ZACHNCUXIUMAGE-APWZRJJASA-N	424.463	3.633	10	20	HHCD	
CN(CC1(c2ccccc2)CC1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	780311750	KXYQRTZOIWAQNB-UHFFFAOYSA-N	411.521	3.660	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2Br)cc1	798425130	YVHILXWMTRKVCS-UHFFFAOYSA-N	417.756	3.989	10	20	HHCD	
COc1cc(OC)cc([C@H](NCc2c(O)ccc(Cl)c2F)c2nccn2C)c1	790949755	HXSUDKAEKVVQNY-IBGZPJMESA-N	405.857	3.815	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1	796426769	FEBIKIQSQDMDHC-UHFFFAOYSA-N	403.548	3.594	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c[nH]c(Br)c1	1319492873	AIXNFNFYJLJCNW-AWEZNQCLSA-N	412.715	3.531	10	20	HHCD	
O=C(NCCOc1ccc2c(c1)CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1	1319300958	JEVAYXLNULEGON-QFIPXVFZSA-N	410.514	3.651	10	20	HHCD	
Cc1ccc([C@@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)N2CCCC2)cc1	1321649650	BBIJUIDKQLCLLQ-RUZDIDTESA-N	410.581	3.813	10	20	HHCD	
NC(=O)Cc1occc1C(=O)N1CC2(CCCC2)c2cc(Br)ccc21	1325887644	HOELIFXCWFHSKG-UHFFFAOYSA-N	403.276	3.542	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(N4CCCC4)cc3)cc2)C[C@@H](C)O1	1251726245	BNYGTJWNRPPMNN-BGYRXZFFSA-N	407.558	3.826	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCC=CO3)C2)cc1	1844247002	FCCMTSRHTXYKLH-QFIPXVFZSA-N	419.525	3.604	10	20	HHCD	
Cc1c[nH]cc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1843494199	GAUWVRHUXUDODO-UHFFFAOYSA-N	416.525	3.861	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O	14215429	XWNRMEQDNMVZGA-DEOSSOPVSA-N	412.578	3.957	10	20	HHCD	
CCOc1ccc(NC(=O)CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	109133735	SHHALWYFUZGHTK-UHFFFAOYSA-N	421.497	3.870	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(CCN(C)C)Cc3ccccn3)ccc21	500750470	UNXFRFRCRMZOPK-UHFFFAOYSA-N	408.546	3.504	10	20	HHCD	
CCc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)CC2=O)cc1	252019003	XHGOVJKCDBBZFY-IFMALSPDSA-N	422.525	3.515	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccccc2OC2CC2)c1	808368537	AQSFNMAKNUJJEK-UHFFFAOYSA-N	415.493	3.972	10	20	HHCD	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	802553138	AWBLGVWZYGJGCH-UHFFFAOYSA-N	424.451	3.656	10	20	HHCD	
CCCN(C)[C@@H](CNC(=O)NCc1ccc(OC)cc1O)c1ccc(Cl)cc1	805753384	QCDHXJXEBIXWKN-IBGZPJMESA-N	405.926	3.937	10	20	HHCD	
Cc1cc(-c2nnc(N3CCC[C@@H](N4CCCC4)C3)n2C)c(C)n1-c1ccccc1	800748308	WPIHQZXNKCSQRI-OAQYLSRUSA-N	404.562	3.954	10	20	HHCD	
COCC1(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCOCC1	813744344	IIBFGQVDPBQXDR-KRWDZBQOSA-N	423.985	3.819	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(N2CCCNC2=O)cc1	812944499	MTZOACAQELMFIZ-KRWDZBQOSA-N	409.534	3.575	10	20	HHCD	
Cc1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(N2CCCC2)n1	812540907	XZRUPKBADBDSJW-UHFFFAOYSA-N	407.562	3.930	10	20	HHCD	
COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	725825433	BUIFWOZTJBOLLW-UHFFFAOYSA-N	422.934	3.546	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(N4CCCCC4)nc3)CC2)cc1	726695131	CRXIHHDDOFYOCL-UHFFFAOYSA-N	409.534	3.871	10	20	HHCD	
CCOC(=O)N(C)C1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1	726953586	DDUSQTQLIBDMEL-UHFFFAOYSA-N	401.482	3.926	10	20	HHCD	
O=C(CN1CCCC1)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	728687295	YGEMNSVGVIWCNV-UHFFFAOYSA-N	420.517	3.874	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCN(C(=O)c3c(F)cccc3F)CC2)c1	727823701	BQROFKLZBCPOSF-UHFFFAOYSA-N	404.457	3.632	10	20	HHCD	
CC1(C)CN([C@H](CNCc2cc([N+](=O)[O-])ccc2O)c2ccc(Cl)cc2)CCO1	728774492	IJBLYSHNJYODDE-LJQANCHMSA-N	419.909	3.896	10	20	HHCD	
CCC[C@@H](C)N1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1=O	728838840	PZKFQNJPIRSUKN-NVXWUHKLSA-N	413.484	3.681	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2cnn(C(C)C)c2n1	735519701	SDZUJLLQVLKLGT-SFHVURJKSA-N	408.502	3.848	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)CC2)cc1	735686619	FZJXYWOQFZXRIP-LAUBAEHRSA-N	403.567	3.805	10	20	HHCD	
COc1c(C)ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C	731131864	OCZYNJFVNYGEPU-UHFFFAOYSA-N	409.530	3.803	10	20	HHCD	
O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCc2cc(OC(F)F)ccc21	735308337	HYHAHGUYWMXIMT-UHFFFAOYSA-N	419.384	3.947	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3ccc([C@@H]4C[C@H]4C)o3)cc2F)CC1	730118758	BXHIXKGOCJFFNH-VQIMIIECSA-N	414.525	3.683	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1F	731402513	YUHNHZCWYBOIDI-UHFFFAOYSA-N	412.509	3.645	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cccc(-n3cccn3)n2)c(C)n1-c1ccccc1	736934970	RRRPKIQOIZKYFV-UHFFFAOYSA-N	400.438	3.715	10	20	HHCD	
Cc1cc(C(=O)NCCNC(=O)C(C)(C)C)c(C)n1-c1ccc(Br)cc1	749630975	GEQKFRPIVDFBQE-UHFFFAOYSA-N	420.351	3.749	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1	915902275	WQXXHMIMZWDFHD-DEOSSOPVSA-N	424.589	3.748	10	20	HHCD	
S=C(NCc1ccc(N2CC=CC2)cc1)NC1CCN(Cc2ccccc2)CC1	740632941	VXJSUQPDRBHKGG-UHFFFAOYSA-N	406.599	3.692	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c(C)n1-c1cccc(Cl)c1	919981493	JWVQZJUAENLDJZ-UHFFFAOYSA-N	422.916	3.936	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)NC[C@H](C)c3ccccc3)sc2n1	916525679	PMRSSGRTWCZPTC-ZFWWWQNUSA-N	411.527	3.961	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c(C)n1-c1ccc(F)cc1	740712661	UYFIMMTYCXVJSE-UHFFFAOYSA-N	408.477	3.646	10	20	HHCD	
Cc1cc(O)c(CN2CCN(Cc3nc(O)c4c(C)c(C)sc4n3)CC2)cc1C	916567722	XAZYPNDZALDTQX-UHFFFAOYSA-N	412.559	3.654	10	20	HHCD	
C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CCN1Cc1ccccc1	745788171	GLQGBVQMDORYTL-FQEVSTJZSA-N	406.574	3.875	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ccc4nc(O)[nH]c4c3)ccc21	590702396	TVAAWCWLTJMIFI-AWEZNQCLSA-N	406.486	3.977	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1	747829052	BXLPQURBYXFBFN-UHFFFAOYSA-N	411.502	3.800	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(Oc2ccccc2)ccn1	745763724	YFNBDCXMNJPZMR-UHFFFAOYSA-N	419.481	3.755	10	20	HHCD	
COc1cccc([C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N(C)C)c1	743714630	JLFGNFOYWZVROF-HSZRJFAPSA-N	412.534	3.986	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1C[C@H]1c1c(F)cccc1Cl	740908158	XHHGTQFZKMICMJ-KDOFPFPSSA-N	421.875	3.810	10	20	HHCD	
O=C(N[C@@H](Cn1cccn1)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1	741426794	PTYHEKYXQQGQRX-YADHBBJMSA-N	420.513	3.721	10	20	HHCD	
Cc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c(O)c1O	751535072	MDVOJBFJOGLMAA-UHFFFAOYSA-N	400.438	3.584	10	20	HHCD	
CC(C)(NC(=O)NCc1ccc(N2CCCC2)cc1)c1cn(-c2ccccc2)nn1	755905101	SNPPDHVPIUEVQG-UHFFFAOYSA-N	404.518	3.602	10	20	HHCD	
C[C@H](NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1cc(Cl)ccc1O	756465642	JYVTTYYPZDFYTD-YJBOKZPZSA-N	418.921	3.570	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cnn(-c2ccccc2F)c1	755838327	RSVMBPRJRGXMCN-UHFFFAOYSA-N	411.506	3.886	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1	756838627	OBHNHDOVFUPZHV-BBATYDOGSA-N	417.811	3.933	10	20	HHCD	
COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1	753833716	SKMRNFDBTHCDDQ-UHFFFAOYSA-N	423.918	3.966	10	20	HHCD	
COc1ccc2c(c1)C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)CO2	751402980	ATIGXQMRISZUMJ-REWPJTCUSA-N	424.541	3.520	10	20	HHCD	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(Cl)cc(Cl)c1O	768174575	XPFUSOQYQKGFSJ-UHFFFAOYSA-N	411.285	3.931	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/c1ccc2c(c1)OCO2	761752482	WVVQYGGFHQNZEF-XBXARRHUSA-N	404.260	3.945	10	20	HHCD	
O=C(Nc1cccc(OCC(F)F)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	765322780	DCMQRXJEUMEUTR-OAHLLOKOSA-N	407.417	3.644	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	765763600	FFNIYXBNKLDSGC-GHMZBOCLSA-N	400.194	3.992	10	20	HHCD	
CCOc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1[N+](=O)[O-]	768094597	ARLJJGOKDQJXBT-OAHLLOKOSA-N	417.481	3.945	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1Oc2ccccc2O[C@H]1C	769289952	GQSWABQAOXONAQ-SGTLLEGYSA-N	406.276	3.732	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1	765884349	IUZJIXADWJANPX-OAQYLSRUSA-N	400.567	3.608	10	20	HHCD	
CN1CCC(CN(C)Cc2cc(Br)cc(Br)c2O)CC1	775678339	ZCLWRLRYSGNRTN-UHFFFAOYSA-N	406.162	3.691	10	20	HHCD	
CCOc1cccc(CN(C)[C@H](C(=O)OC)c2cccc(Br)c2)c1O	770379234	IZCRYMDQZNKSGW-KRWDZBQOSA-N	408.292	3.900	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(N(C)C)cc1	773299308	RGKXMPINTURAIX-DOTOQJQBSA-N	418.488	3.993	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)c1	770086970	ARTFIDJFYCFNTN-LJQANCHMSA-N	416.543	3.781	10	20	HHCD	
CC[C@@H](C)n1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1C	778390960	RJVFWEQAMBBAHF-KDOFPFPSSA-N	404.942	3.916	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c(C)n1-c1ccc(Cl)cc1	779080096	POPNWRDJTFAJDR-AZUAARDMSA-N	400.906	3.958	10	20	HHCD	
COc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	773749075	OEALOYHVEJXDPN-OAHLLOKOSA-N	405.450	3.698	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)Nc2ccc(N3CCNC(=O)C3)cc2)c1O	779040128	LRAIUWRXARXIRD-CYBMUJFWSA-N	404.308	3.572	10	20	HHCD	
C[C@@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(N2CCOCC2)cc1	775253616	ABVHOUGXXYTJIY-CQSZACIVSA-N	400.429	3.702	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N2CCOCC2)c(F)c1	770383961	YLKPFMXASHJQIM-FUHWJXTLSA-N	407.530	3.540	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	772998029	IJVCFIJZMOLRNN-BSRJHKFKSA-N	407.558	3.929	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2ccc3c(c2)CCO3)nc1-c1ccccc1	775207856	KOGIMXFPGVMLPR-UHFFFAOYSA-N	415.496	3.504	10	20	HHCD	
C[C@H]1CN(c2ccc(CNCc3ccc4c(c3)CCC(=O)N4C)cc2F)C[C@@H](C)O1	775306094	KENKHSTWUQJMTB-CALCHBBNSA-N	411.521	3.638	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1	784024067	KJOKSEFCNJIPDA-UHFFFAOYSA-N	405.454	3.957	10	20	HHCD	
Cc1cc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1F	785706284	RKBXFOGWGGJOQK-UHFFFAOYSA-N	423.488	3.638	10	20	HHCD	
CCOC(=O)[C@@](C)(CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1	787260246	GPDILSYJLRUFTA-DEOSSOPVSA-N	409.530	3.607	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H](CO)Cc2ccncc2)cc1	793946611	DKPHECLWBXMBMD-LJQANCHMSA-N	403.486	3.896	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Oc2ccccc2C(=O)N2CCOCC2)cc1	790923731	YDVGKBDMCUNXOE-UHFFFAOYSA-N	404.466	3.786	10	20	HHCD	
CC(C)C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1nc(-c2nc[nH]n2)no1	793031397	CVYAXSAWIFRCBK-HNNXBMFYSA-N	423.443	3.817	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1O	795718439	NUFKXDAUNKDRQG-FQEVSTJZSA-N	409.404	3.608	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1	792791675	GZFLUMJISUEKJN-QGZVFWFLSA-N	415.843	3.958	10	20	HHCD	
Cc1cc(F)cc(-n2cc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)nn2)c1	790945650	GXNGUFZAUUUVAI-UHFFFAOYSA-N	413.416	3.677	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1	1319397565	RDRAVLOYINIEAN-UHFFFAOYSA-N	422.504	3.989	10	20	HHCD	
C[C@@H]1CC[C@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H](n2cncn2)C1	1345102844	HKHWTEVWYSRJPF-XPGWFJOJSA-N	405.493	3.868	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sc2ccc(F)cc2c1C	1342434456	OHKIPWHDDOWNTG-HNNXBMFYSA-N	417.458	3.664	10	20	HHCD	
C[C@@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1	16387039	UPKVREKWFAQQOG-HXUWFJFHSA-N	417.553	3.986	10	20	HHCD	
C[C@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12	11193304	RDYFWNLZOADADS-FQEVSTJZSA-N	417.553	3.986	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nc(C(F)(F)F)cs1	97308008	BVYPIGDVISSRLR-UHFFFAOYSA-N	400.426	3.662	10	20	HHCD	
C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1	109189706	FPFSBROXKXSSOX-KRWDZBQOSA-N	412.490	3.501	10	20	HHCD	
C[C@@H]1c2cccn2CCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	195649100	BBSRKDMYVXGYCL-OAHLLOKOSA-N	422.451	3.630	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccccc2N2CCCCC2)n(C)c2ccccc12	472808847	SSTAJSYBJJORMX-UHFFFAOYSA-N	404.514	3.732	10	20	HHCD	
CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1c(C)c2ccccc2n1C	473266288	VHRXLILKZKYQTB-HXUWFJFHSA-N	423.582	3.963	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](c3ccccc3C)C2)c1	725779541	PPYPFPABYANKQH-FQEVSTJZSA-N	408.542	3.725	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1	729596915	FQBKFBBKZXUVLT-LJQANCHMSA-N	418.582	3.931	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(F)c1	731038829	NODQOSFPPRBGQW-UHFFFAOYSA-N	410.486	3.688	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCc4ccccc43)cc2F)C[C@@H](C)O1	732451490	WNVSBAGQPAEICO-QKLQHJQFSA-N	411.521	3.969	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1	733134924	HCQUZUXMRVVOQI-MRXNPFEDSA-N	401.938	3.962	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3csc(Cc4ccccc4F)n3)CC2)cc1	735421989	PZHNCHGVQLLQIF-UHFFFAOYSA-N	411.502	3.844	10	20	HHCD	
CCOc1ccc(O)c(CN[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1	738439107	KYKUSOFSCFLQBB-HSZRJFAPSA-N	404.510	3.808	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc(S(N)(=O)=O)c1C	740942795	AIRUYKQLKLBWHH-UHFFFAOYSA-N	401.532	3.584	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)c(C)n1-c1ccccn1	742132715	NPHXDUTWSNRSLW-UHFFFAOYSA-N	417.448	3.734	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CCc2nccs2)NC(=O)OC(C)(C)C)cc1	742750743	PJTSCXRDHDMDNY-KRWDZBQOSA-N	418.563	3.524	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N[C@H](c3ccccc3)C(C)C)CC2)cc1	742948106	MLFRCKVWIJINER-QHCPKHFHSA-N	410.562	3.514	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccn(Cc2ccncc2)n1	743164422	IVGHMVDIFCLCGW-UHFFFAOYSA-N	404.518	3.981	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)o1	743717490	NRKZTKFSQOXWMG-UHFFFAOYSA-N	400.475	3.819	10	20	HHCD	
C[C@H](C(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O	744349257	DSWXRFHOJNFTQU-CLZYOGPISA-N	418.453	3.591	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)N1CCC(C)CC1	745782601	FYTSXHNKFYDFQV-OAHLLOKOSA-N	412.372	3.807	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1F	746866870	UHDZYNDEUUOWNY-JOCHJYFZSA-N	419.500	3.549	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1CCCSC1	748735629	UUAPFLOYWWFYAZ-XTCQQWIJSA-N	412.627	3.741	10	20	HHCD	
CCS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	748961959	SYQKETLUVLAMBQ-TZIWHRDSSA-N	405.608	3.759	10	20	HHCD	
Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C	751238922	FUCJXSXVVYAWFK-UHFFFAOYSA-N	416.587	3.607	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc4ccsc34)CC2)cc1	752399144	GQBFSYOJTSASOT-UHFFFAOYSA-N	409.511	3.587	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2ccccc2o1	754027956	MEVYFODOMCOTQR-UHFFFAOYSA-N	422.453	3.982	10	20	HHCD	
C[C@H](N[C@H](CN1CCOCC1)c1ccccc1)c1cc(Br)ccc1O	756357001	BFSIJULGDZJOAI-HNAYVOBHSA-N	405.336	3.879	10	20	HHCD	
CCN1CCN(CCCCN[C@H](C)c2cc(Br)cc(Cl)c2O)CC1	756408504	PGLOTYKUXYCJSY-CQSZACIVSA-N	418.807	3.876	10	20	HHCD	
COc1ccccc1N1CC[C@@H](N[C@H](C)c2cc(Br)ccc2O)C1=O	756741560	GOGIQXJNFSVLBD-IUODEOHRSA-N	405.292	3.619	10	20	HHCD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN(C)c1ccc(OC)c(Cl)c1	757855741	HVXCJTUKQRLQFM-UHFFFAOYSA-N	406.910	3.851	10	20	HHCD	
COc1ccc(N(C)Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1Cl	757857204	MOEZBUQNOTUKOS-UHFFFAOYSA-N	420.897	3.906	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(C)(O)CC2)c(C)n1-c1ccc(Br)cc1	759766445	HCFJVKGAJRBSMG-UHFFFAOYSA-N	405.336	3.886	10	20	HHCD	
Cc1ccc(C(C)(C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1	759911120	NPJHPPFHJUUDRW-UHFFFAOYSA-N	413.477	3.629	10	20	HHCD	
O=C(c1cnc(OCc2ccccc2)cn1)N(Cc1ccccc1O)C[C@H]1CCCO1	760472807	BSJOGXUIUDMRSI-HXUWFJFHSA-N	419.481	3.583	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C	760888590	MFEHPHQEVNWAOL-UHFFFAOYSA-N	419.529	3.504	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1c(F)cccc1OC(F)F	761994579	VRTUCKIWVNFWNA-UHFFFAOYSA-N	414.767	3.751	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	764770560	CYYIWVZDVKOPAI-VFNWGFHPSA-N	420.937	3.578	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCCN(c2ccccc2F)C1	765536839	UCUFZAXUVDMLOJ-AWEZNQCLSA-N	422.298	3.762	10	20	HHCD	
NC(=O)c1ccc(CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C2CC2)cc1	768440650	SXKKBFMSYAUVMO-UHFFFAOYSA-N	408.502	3.849	10	20	HHCD	
CCOc1cccc(CN2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c1O	769160578	JZFXHISQDSCSRM-HNNXBMFYSA-N	414.531	3.781	10	20	HHCD	
C[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	770710724	KFXHXHFNVRDYHL-KRWDZBQOSA-N	410.514	3.970	10	20	HHCD	
C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1Cl	772978173	CWBOLKBKUSYVCR-OAHLLOKOSA-N	405.882	3.814	10	20	HHCD	
CC(C)[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc21	774763470	NJYWVRVBDRXJOO-KNQAVFIVSA-N	420.557	3.858	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1O	774997994	ODZITWUWYWAVQE-UHFFFAOYSA-N	419.909	3.964	10	20	HHCD	
COc1cc(OC)c2cc(CCCNCc3ccc([N+](=O)[O-])c(OC)c3O)[nH]c2c1	775037962	PWZWIOGDXXBUJO-UHFFFAOYSA-N	415.446	3.530	10	20	HHCD	
COc1cc(O)c(CNCc2cnn(-c3ccc(Br)cc3)c2)cc1OC	775203082	AQHOXUFACAGBBT-UHFFFAOYSA-N	418.291	3.647	10	20	HHCD	
CC[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)c(Cl)c1O	775484609	GOHVVNHOSZJWKM-AWEZNQCLSA-N	414.333	3.994	10	20	HHCD	
COc1cc(O)c(CN[C@@H](C)c2cc3c(cc2Br)OCCO3)cc1OC	776033765	LPHKFPFQOOJMAZ-NSHDSACASA-N	424.291	3.794	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cnn(CC(F)F)c2)nc1-c1ccc(F)cc1	777666173	VSSVXPJVRVNPGI-UHFFFAOYSA-N	402.423	3.520	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1CCCN(C2CCC2)C1	781400141	DHAARGPQBGRQQR-NNMXDRDESA-N	415.578	3.736	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3cc(Cl)cc4c3OCC4)SC2=S)cc1	782881671	WLXFASQOTSEDDQ-OQLLNIDSSA-N	416.911	3.780	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	782896603	RIBBACOGOHXJAQ-UHFFFAOYSA-N	409.486	3.651	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1	784025964	PNTHNDSUCQGWTL-UHFFFAOYSA-N	406.486	3.572	10	20	HHCD	
C[C@H](CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1	785439565	REJFZHIYWFXVKM-OAHLLOKOSA-N	421.463	3.698	10	20	HHCD	
C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	787978350	YIKRFCCPVBDPGZ-KRWDZBQOSA-N	412.505	3.940	10	20	HHCD	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(OC)n3)SC2=S)cc1	790106450	ITBYSFCSYPIZHP-PTNGSMBKSA-N	400.481	3.673	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2cc(Cl)ccc2C1	790219970	PQXAUDCZESCOLN-UHFFFAOYSA-N	417.912	3.708	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN(CCO)Cc2ccc(Br)s2)c1O	792196104	JEFAFJVKRVEPKZ-UHFFFAOYSA-N	421.700	3.772	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42	793347218	NRIZAXAMECTDIZ-QMGOTOBTSA-N	414.496	3.767	10	20	HHCD	
O=S(=O)(c1csc2ccccc12)N(Cc1ccccc1O)C[C@@H]1CCCO1	795850722	LLPHLLSADZKHSE-INIZCTEOSA-N	403.525	3.977	10	20	HHCD	
CCc1oc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1C(=O)OC	800791344	MOICTVOOESUGEB-OQLLNIDSSA-N	417.464	3.733	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1	801624687	LNTCAVBYKUJWBT-UHFFFAOYSA-N	410.478	3.519	10	20	HHCD	
CSCC[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803678607	FWABMQYVUKIKPY-QGZVFWFLSA-N	405.608	3.672	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H]1CCCC(C)(C)C1	806760677	SJOSRSIDURRKSI-OAHLLOKOSA-N	411.340	3.588	10	20	HHCD	
O=C(COc1cccc(N2CCCC2=O)c1)NCc1cc(Cl)cc(Cl)c1O	807839849	MNESNBRKYNUYQD-UHFFFAOYSA-N	409.269	3.521	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C3(c4cccnc4)CCCC3)cc2F)C[C@@H](C)O1	808281692	ODMZDAGVJSRDGA-HDICACEKSA-N	411.521	3.963	10	20	HHCD	
COC[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1cccc(Cl)c1	808373619	WBGDJAZFBKHHOM-NRFANRHFSA-N	417.937	3.958	10	20	HHCD	
COc1ccc(N2CCCN(Cc3nc4ccccn4c3Br)CC2)cc1	809551200	OSYGJVJUJIGBPK-UHFFFAOYSA-N	415.335	3.818	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	813420205	UERODBGOFYYTJI-UHFFFAOYSA-N	410.257	3.668	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2C(=O)N[C@@H](CC)C2=O)c1	821451125	MTYAWZXHSKZNAL-SFHVURJKSA-N	410.474	3.671	10	20	HHCD	
Cc1ccc(F)c(OCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	857456951	RWTWOXLWGFFBAT-OAHLLOKOSA-N	408.420	3.900	10	20	HHCD	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc(O)c(O)c1	916591523	RFFPHXZPEXCAMX-UHFFFAOYSA-N	422.393	3.658	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)c2C)c1	918102259	SCJMVDULQXWOTO-UHFFFAOYSA-N	402.498	3.591	10	20	HHCD	
CC1(C)CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H]1c1ccccc1	919911346	OYYIPVBEJHESOT-UNMCSNQZSA-N	420.557	3.681	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(-c2ccccc2F)on1	919971445	YJRHYPYUSWUFSX-UHFFFAOYSA-N	413.424	3.511	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	920872324	LTEZQUYCHPDHHY-KRWDZBQOSA-N	424.545	3.934	10	20	HHCD	
CCN(CC)C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	1116176035	QRAAIPAAOXEGPF-QGZVFWFLSA-N	424.536	3.773	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3nc(C4CC4)n(-c4ccccc4)n3)CC2)cc1	1338324487	NKVZULMKYHMOLB-UHFFFAOYSA-N	417.513	3.506	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1	58021503	UWKVGNAWYBCJTH-UHFFFAOYSA-N	402.926	3.601	10	20	HHCD	
CCOC(=O)C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1	65433388	VIORTCMYPAMHGK-OAQYLSRUSA-N	413.493	3.920	10	20	HHCD	
Cc1cc(NCc2ccc(N3CCOCC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1	141023769	WFWOYYNQNJZFSM-UHFFFAOYSA-N	405.458	3.809	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)ccc1Oc1cccnc1	141705703	WVCWNMZRBYXPNK-UHFFFAOYSA-N	404.470	3.503	10	20	HHCD	
CCOc1cccc(CNCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1O	236907720	NTXRJLXRNSNMLB-UHFFFAOYSA-N	423.479	3.851	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cnc(-c4ccccc4)nc3)SC2=S)cn1	726985618	CVHWFTMFOQWBOC-SXGWCWSVSA-N	406.492	3.953	10	20	HHCD	
CCOc1ccc(OC)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	729576553	WJBVQKHSFVHLPR-UHFFFAOYSA-N	417.481	3.516	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc3c(c2)nnn3C)c(C)n1-c1cccc(F)c1	729733357	VGGGAIOPYBJNBY-UHFFFAOYSA-N	406.417	3.555	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)n1	730073223	KJSMASHIQJBXHR-GFCCVEGCSA-N	402.497	3.943	10	20	HHCD	
C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)ccc2O1	730074235	XFOWWOWLYGLXHH-GFCCVEGCSA-N	414.508	3.869	10	20	HHCD	
COCC(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731109764	QYXIERBQHCRSQH-UHFFFAOYSA-N	410.518	3.830	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1	733322726	BQWAXDMVIQGKQU-INIZCTEOSA-N	407.555	3.773	10	20	HHCD	
CC(C)(CCCc1ccccc1)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	733810076	SRNNZIUONRHFOL-UHFFFAOYSA-N	404.532	3.543	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)c1	735179533	OHQGYDNMGBPWIO-CQSZACIVSA-N	401.463	3.918	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1	736022120	SVSHZBWRHRXHKL-UHFFFAOYSA-N	423.557	3.740	10	20	HHCD	
CCCCN(C)c1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1	739764682	CKHXOUHKRNBARB-UHFFFAOYSA-N	408.546	3.877	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)ccc1OC	740603969	CGZOROBHFPZCLY-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
CN(C)CCN(CCCc1ccccc1)C(=O)NCc1ccc(N2CC=CC2)cc1	741090502	IRWCVEIMBVWHPP-UHFFFAOYSA-N	406.574	3.769	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)C2CCSCC2)NC(=O)OC(C)(C)C)cc1	742751706	WFBJRAYVLZUBQO-GOSISDBHSA-N	407.580	3.578	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2scnc2Cl)NC(=O)OC(C)(C)C)cc1	742755858	YNBSHHJMPCUUFF-CQSZACIVSA-N	424.954	3.858	10	20	HHCD	
O=C(Nc1ccc(Cl)cc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801865	TYZUPHJCJFOGGU-HNNXBMFYSA-N	423.847	3.665	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3C)n2)cc1	743045959	HWGCPAQVFOXFMV-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(C(=O)NC)c1	743077595	BZILBBDBEGWVLT-UHFFFAOYSA-N	406.280	3.568	10	20	HHCD	
CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1	743553845	RCJLHMAXWKEWDV-UHFFFAOYSA-N	410.518	3.800	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCCc1ccc(F)cc1	743871254	YXTCGUCFXYZARW-CQSZACIVSA-N	423.326	3.863	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSCc2cscn2)cc1	747403867	PMUALRHLUQZBGD-IBGZPJMESA-N	405.589	3.650	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)c1O	750038109	VLZIXLSKNKZRTD-HNNXBMFYSA-N	402.926	3.946	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c1C	753704904	LCDPIFPUNFLFTQ-RTWAWAEBSA-N	400.544	3.584	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccccc4F)c3)CC2)cc1F	755835933	AOWAMBXGMZEUEU-UHFFFAOYSA-N	413.428	3.513	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@](C)(CO)C3CCCCC3)cc2F)C[C@@H](C)O1	755910853	NJQWMPGINJGNOU-SEPYTNNBSA-N	421.557	3.570	10	20	HHCD	
COc1cccc(CN(C)C(=O)CN(Cc2ccco2)Cc2ccccc2O)c1OC	756317038	GPARNGZTJHMOCN-UHFFFAOYSA-N	424.497	3.663	10	20	HHCD	
COCCN(C)CCOc1cccc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)c1	756539041	HDPGCGOPCWNNNF-JXFKEZNVSA-N	402.510	3.826	10	20	HHCD	
COc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OC	756688623	PMFZEGRVPANPCS-JTQLQIEISA-N	411.252	3.931	10	20	HHCD	
CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759236245	AZWUIDBGHKOFGM-FUHWJXTLSA-N	405.539	3.513	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1ccc(N2CCCCCC2)nc1	759550341	OCDUZFKPDQKTFO-UHFFFAOYSA-N	405.593	3.900	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(C2OCCO2)c1	764456099	HCLBWJGULKZYGV-UHFFFAOYSA-N	406.276	3.862	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(Br)c1O)c1cccc(-n2cccn2)c1	764791069	MEYGQQUZFHKPCK-ZDUSSCGKSA-N	415.291	3.901	10	20	HHCD	
CC[C@@H](NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(N(C)C)cc1	764818408	JOILCEBSPJBEKU-HSZRJFAPSA-N	415.603	3.955	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1Cl	764949217	VOYUBHUMWUCJMD-MRXNPFEDSA-N	407.986	3.864	10	20	HHCD	
CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	765327715	BQJBXEWVNNXNIC-ZWKOTPCHSA-N	417.575	3.697	10	20	HHCD	
COCCN(C)CCCC1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	766542000	QAJLBWSWPYUVCF-UHFFFAOYSA-N	412.578	3.700	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)cc1Cl	766564209	SEZSMKUQOALCEN-CVEARBPZSA-N	404.917	3.640	10	20	HHCD	
Cc1ccc(NC(=O)C2CCN(Cc3cc(Br)ccc3O)CC2)nc1	768537956	MTPLFPFRABJFLI-UHFFFAOYSA-N	404.308	3.709	10	20	HHCD	
CN1CCC(N2CCC(CCN(C)Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)CC1	769524641	GEEFXSHBVOLUMF-UHFFFAOYSA-N	424.973	3.582	10	20	HHCD	
C[C@@H]1C[C@@H](CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1	770846898	CLPIFCYFZNRSKD-WAWJYGGWSA-N	424.613	3.661	10	20	HHCD	
COCc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	772610882	OBJVQJWABMRLAV-IYBDPMFKSA-N	401.482	3.907	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1cc(F)ccc1Br)c1ccc(N(C)C)cc1	773083270	DMCWGYNCGLLVGP-LLVKDONJSA-N	401.301	3.694	10	20	HHCD	
Cc1cccc(-n2ncc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2C(F)(F)F)c1	773742355	UFNAJEHTADBZHG-CYBMUJFWSA-N	419.403	3.972	10	20	HHCD	
COc1ccc([C@@H](C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	774851559	VSKUTDHTKKBPIT-OAHLLOKOSA-N	414.461	3.760	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](O)[C@@H](C)C2)c(C)n1-c1ccc(Br)cc1	778258458	KDTVLQPAFMXROO-DJJJIMSYSA-N	405.336	3.742	10	20	HHCD	
CN1CCc2cc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc21	778935275	KSEVVYAGRFMJOF-KRWDZBQOSA-N	401.457	3.679	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1C	779242652	GIORYCWHVFJSAO-MRXNPFEDSA-N	407.436	3.543	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2cnc3c(c2)CCCC3)cc1)C1CCCCC1	782785317	XDMPFTYQJZPDJN-UHFFFAOYSA-N	420.557	3.984	10	20	HHCD	
CC(C)(C)Cc1nc(-c2ccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc2)no1	783860058	XNUFMKLJYNJMJT-UHFFFAOYSA-N	410.426	3.776	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C2CCCCC2)cc1	784057999	JMNCLOGYZRWRKM-UHFFFAOYSA-N	403.486	3.759	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccc(S(C)(=O)=O)s2)c1	787533105	HIGNMFVPTTXARP-UHFFFAOYSA-N	402.541	3.798	10	20	HHCD	
C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@H](C)c1cccc(C(F)(F)F)c1O	788603548	RHYIOVMRVARJAA-JKSUJKDBSA-N	408.468	3.667	10	20	HHCD	
CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2SC)c1	793431256	XYZLSBRMYQAFBT-UHFFFAOYSA-N	401.893	3.745	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCNC(=O)C(C)(C)C)cc2Cl)C1	799918940	GANKJYZECYZHPG-OAHLLOKOSA-N	408.974	3.538	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccc(NS(=O)(=O)CCC)c1	801550159	PZWIZHOWXPJCDY-UHFFFAOYSA-N	404.532	3.986	10	20	HHCD	
CC[C@H](N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc(Cl)c1O	806147481	JLTKFMBHWWNIKN-RBUKOAKNSA-N	404.894	3.909	10	20	HHCD	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	807192503	OQTXGESPDOHKDV-JZWVFAODSA-N	423.557	3.522	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1nncn1C	807303847	UYOMCPGZMSDRKX-SFHVURJKSA-N	405.462	3.683	10	20	HHCD	
CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807511703	SQNRFFIXYWFNBI-NSHDSACASA-N	413.305	3.758	10	20	HHCD	
CCc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1Cc1ccc(F)cc1	807840202	UIVPOIPZDKSZBZ-UHFFFAOYSA-N	423.275	3.970	10	20	HHCD	
Cc1cscc1CNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	807954090	IPJNRWIAJWAHAW-CQSZACIVSA-N	419.978	3.879	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H](c1ccccc1)c1nc[nH]n1	808678480	RPGOQSPXWSFSDH-IBGZPJMESA-N	417.435	3.539	10	20	HHCD	
CC[C@@]1(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)OCCc2ccccc21	811868299	TVMXGYWJQXGASJ-CLOONOSVSA-N	423.557	3.762	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1C	812279624	RODUEOINAZNSMX-KRWDZBQOSA-N	421.463	3.933	10	20	HHCD	
CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(CC)CC)cc2)cc1	916502651	JGIXAMAAGWYSHB-QGZVFWFLSA-N	417.575	3.540	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(NC(=O)C2CC2)cc1	916673454	HWQUHVIXBYLHNU-UHFFFAOYSA-N	422.529	3.566	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCO4)n2)cc1	917906630	DEOCJOAUJBDJKT-UHFFFAOYSA-N	402.497	3.945	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(-n4nc(C)cc4C)nc3)CC2)cc1	918036267	OREUPLFNAQIMBJ-UHFFFAOYSA-N	420.517	3.637	10	20	HHCD	
CSc1nc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2s1	918303718	FQDAYWXPFASICQ-UHFFFAOYSA-N	414.556	3.681	10	20	HHCD	
Cc1cc(C(=O)OCc2ccn(C)c(=O)c2)c(C)n1-c1cccc(Br)c1	919447898	IOCQXOIOEONZKJ-UHFFFAOYSA-N	415.287	3.912	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1	920236675	FSQDAWGLKYAYKQ-JOCHJYFZSA-N	424.545	3.650	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(Br)s1)c1ccc(N2CCOCC2)cc1	920866814	LRPQMRBBUNIUGV-ZDUSSCGKSA-N	424.364	3.908	10	20	HHCD	
CCN(CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(C)c1	920921866	WYTLOQXYDSTWJJ-FQEVSTJZSA-N	410.562	3.718	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)OC[C@H]3CCCO3)c2C)cc1F	921102546	UTBIGWUKHQQQFL-IEBWSBKVSA-N	417.477	3.852	10	20	HHCD	
Cc1cc(CCNC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)c(C)n1-c1ccccc1	1329120854	WITXRANFCOUWEJ-JOCHJYFZSA-N	401.510	3.903	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCN(c2cccc(F)c2)CC1	1333568601	OFXYMEOVSAWHSL-UHFFFAOYSA-N	417.868	3.618	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3cc(OC)ccc3OC)CC2)cc1	1338846152	PEONWOQFIYYFRR-UNMCSNQZSA-N	410.514	3.555	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NCC3(c4ccccc4)CC3)sc2n1	28775830	MUDFEEIZXILXBI-UHFFFAOYSA-N	409.511	3.500	10	20	HHCD	
CC(=O)Nc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	48745170	IDVUZFCEAGXXAH-UHFFFAOYSA-N	407.436	3.790	10	20	HHCD	
COc1ccc2[nH]cc(C3=CCN(c4cc5nc[nH]c(=O)c5cc4[N+](=O)[O-])CC3)c2c1	78876594	QIKNMGRMYAYVTL-UHFFFAOYSA-N	417.425	3.615	10	20	HHCD	
O=C(NC1CC1)c1cccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	726102929	ZWNVZOFDMHWRII-UHFFFAOYSA-N	419.481	3.789	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(-c4ccccc4OC)on3)CC2)cc1	726561150	ACCXDPQTDOBTNM-UHFFFAOYSA-N	407.470	3.758	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCCOc3ccc(F)cc3F)CC2)cc1	726561758	QAKPRTZMGWHFFB-UHFFFAOYSA-N	404.457	3.918	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CNC(=O)c3c(F)cccc3Cl)cc2)CC1	731053274	KWQULVXREPKGMQ-UHFFFAOYSA-N	417.912	3.762	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1	734533409	DEVJOEOBEATVGL-NSHDSACASA-N	402.838	3.665	10	20	HHCD	
CC(C)(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1	736477166	YJRKOJYGTOYDMH-QGZVFWFLSA-N	413.949	3.636	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1F	738991985	XAAGOEZZJWIOAA-QGZVFWFLSA-N	401.457	3.835	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(N2CCSCC2)CCCCC1	741088224	OJSUOEWMMFGSJS-UHFFFAOYSA-N	414.619	3.614	10	20	HHCD	
C[C@H](OC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)NC(=O)NC1CC1	741830843	YSUHETDYSGGERN-AWEZNQCLSA-N	423.473	3.702	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1	747606525	KZOHMBWOAXBBRF-UHFFFAOYSA-N	422.450	3.576	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cn(CC(C)C)cn3)n2)cc1[N+](=O)[O-]	749662949	TYGQNZMELOMUHT-UHFFFAOYSA-N	421.504	3.680	10	20	HHCD	
CC(C)Cn1ccc2cc(NC(=O)C(=O)NCCCSc3nccs3)ccc21	749731832	ZLJVZPQMMIMPLE-UHFFFAOYSA-N	416.572	3.991	10	20	HHCD	
CCN(Cc1ccoc1)c1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-]	750169671	KQDGCSRQRLTYQG-UHFFFAOYSA-N	400.185	3.894	10	20	HHCD	
CCOC(=O)c1sc(CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)nc1C	750289116	ZMQZTMIIBUCOIE-UHFFFAOYSA-N	422.526	3.613	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)C[C@@H](O)c3cccs3)CC2)cc1	752663204	GWBNCDCHNZLVGE-HNAYVOBHSA-N	403.548	3.537	10	20	HHCD	
CCOC(=O)/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(OCC)cn1	752878069	QXIAHRORIHMZSC-QGOAFFKASA-N	400.450	3.560	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](c3ccc(F)cc3)c3cccnc3)cc2)C1	753626140	PNTNBZMEHXUYRX-URXFXBBRSA-N	418.516	3.802	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1C	753704897	LCDPIFPUNFLFTQ-LEWJYISDSA-N	400.544	3.584	10	20	HHCD	
C[C@@H](NCC1(N2CCCCC2)CCOCC1)c1cc(Br)cc(F)c1O	756704568	HXMGNNOLPZCXLF-CQSZACIVSA-N	415.347	3.980	10	20	HHCD	
O=S(=O)(c1cccc(F)c1)N(CCCNCc1c(O)cccc1Cl)C1CC1	756988718	CHKZBXXTJZDBSO-UHFFFAOYSA-N	412.914	3.518	10	20	HHCD	
Cc1cc(NC(=O)CN(C)C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)no1	758640691	IYBWIAZCLITLKU-UHFFFAOYSA-N	414.893	3.684	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc(OC)c1OC	759197612	CVGVAKSCKHUVDW-UHFFFAOYSA-N	405.882	3.720	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC)c(OC)c1OC	761752128	QETHKHNCZXGLGP-UHFFFAOYSA-N	424.291	3.843	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)c2C)c1	766953785	GQIJMOWTIBYHIQ-ZJSXRUAMSA-N	420.557	3.907	10	20	HHCD	
C[C@H](N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1O	768279496	ZIYMSOPPLLVUCH-JSGCOSHPSA-N	423.391	3.771	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN([C@@H](C)c3nccs3)CC2)cc1F	768333260	KTQVXWKAUDNDIQ-INIZCTEOSA-N	419.570	3.717	10	20	HHCD	
CC[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1NC(=O)OC(C)(C)C	769485960	REDXVIYQVZTYGN-ICSRJNTNSA-N	421.557	3.788	10	20	HHCD	
COc1cc2c(c(OC)c1OC)CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)CC2	769536755	DZCNXCSBBXEFED-UHFFFAOYSA-N	422.865	3.580	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3nc4c(s3)CCCC4)CC2)cc1	772444580	ROVQDHJPBSPASX-SFHVURJKSA-N	414.619	3.893	10	20	HHCD	
C[C@H](NC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1	773622327	GNEBCLVPMYTXHO-JKSUJKDBSA-N	403.548	3.620	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1Br	773846776	OIHPHKQNVLQRLK-CYBMUJFWSA-N	404.308	3.639	10	20	HHCD	
COc1ccc(N2CCCN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC2)cc1	774634379	GRPQKGXKCLPQID-UHFFFAOYSA-N	415.881	3.776	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1	775127943	BSQMAUSHVCHXRT-KDOFPFPSSA-N	421.538	3.845	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cnn(C)c3-c3ccccc3)cc2F)C[C@@H](C)O1	775480058	BDNSJYCMXQTSGZ-IAGOWNOFSA-N	422.504	3.770	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1C	775616082	QBRBMXWVPPSLSY-OAHLLOKOSA-N	404.536	3.705	10	20	HHCD	
O=C(CCc1nc2cc(Br)ccc2s1)NCc1ccc(O)c(O)c1	778915843	WITKNCKRQKOVEX-UHFFFAOYSA-N	407.289	3.719	10	20	HHCD	
COCCO[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1	781699657	HQAJJGSNJINOEG-MRXNPFEDSA-N	421.335	3.734	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N(C(C3CC3)C3CC3)C2=O)cc1	782189068	NQINQIRJCFUGRW-MHWRWJLKSA-N	403.525	3.628	10	20	HHCD	
CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	782940648	VIWMOHFXMGAAEE-MRXNPFEDSA-N	405.436	3.563	10	20	HHCD	
COc1ccc(CC(C)(C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	782950782	UOIYHSQISCVBBX-GOSISDBHSA-N	411.546	3.913	10	20	HHCD	
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	792233799	QQZLBMNBXYGLJH-JTHBVZDNSA-N	423.557	3.605	10	20	HHCD	
O=C(Cc1csc2ccc(Br)cc12)NCCc1ccc(O)c(O)c1	792237591	GDUVEJNCBLLECX-UHFFFAOYSA-N	406.301	3.976	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	796776037	RXPBRPBLIKCVCH-GOSISDBHSA-N	421.501	3.980	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1	798275933	WVFKCEOHRQIYHL-XMMPIXPASA-N	416.610	3.565	10	20	HHCD	
CCOC(=O)c1ccccc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	799763989	PFHOJBLJMNWVKD-UHFFFAOYSA-N	404.532	3.529	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H](CCO)C3CCOCC3)cc2Cl)C1	800719232	IIXXRHZTEPWWKT-OXJNMPFZSA-N	423.985	3.553	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H]3CCN(C(=O)OC(C)(C)C)CC3(C)C)cc2)CC1	800892897	ICMMTLVMWRTOFT-NRFANRHFSA-N	416.610	3.564	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](COC)C1	802450474	VYAQTRWDYNXMRY-HXUWFJFHSA-N	423.561	3.862	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1-c1ccccc1C	802609514	DLLQTDFGZJTKEU-UHFFFAOYSA-N	406.486	3.654	10	20	HHCD	
Cc1cccc2c(CCNC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c[nH]c12	805658292	ARCMZABWGSJUOX-UHFFFAOYSA-N	420.557	3.638	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1	807504918	FNHMKPHKFXFJCN-CTNGQTDRSA-N	411.521	3.693	10	20	HHCD	
Cc1cnc([C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C2CC2)s1	807630077	YKDPNQQUYAMGFH-IBGZPJMESA-N	414.575	3.522	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-c2cccnc2)cc1	807668389	UWHSEZKKFRCLBM-UHFFFAOYSA-N	417.509	3.899	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2c(c1)nc(O)n2C1CCCC1	808095872	WWYLDQRBVQYGBH-UHFFFAOYSA-N	400.475	3.978	10	20	HHCD	
CC[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(C(F)(F)F)cc1O	810213101	LUHXCBFHZOUOGC-SJLPKXTDSA-N	404.498	3.660	10	20	HHCD	
COc1ccc(C[C@](C)(O)CN[C@@H](C)c2ccc(Br)cc2O)cc1OC	810254379	CTWFWDNPNUKPEK-RBZFPXEDSA-N	424.335	3.816	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1c2c(cc3c1CCC3)CCC2	810416400	WKGAMFMJZSYPLB-UHFFFAOYSA-N	419.308	3.931	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C4=CCCC4)cc3)cc2)CC1	810696751	YQJQNFRQHAXPNP-UHFFFAOYSA-N	403.526	3.852	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ncn(C(C)(C)C)n3)c2C)cc1F	812695101	PGJYRPAMNYDSTJ-UHFFFAOYSA-N	412.465	3.928	10	20	HHCD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2C[C@@H]1C	831804264	CVKSNQFDCPOKGZ-ZDUSSCGKSA-N	413.524	3.908	10	20	HHCD	
Cc1cc(CC(=O)NC[C@H](O)COc2ccccc2)c(C)n1-c1ccc(Cl)cc1	915080833	BTFRJFGVXPEVOX-NRFANRHFSA-N	412.917	3.846	10	20	HHCD	
Cc1cc(CCNC(=O)NCc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccccc1	916220930	IBKFRDHOHLTSDA-UHFFFAOYSA-N	418.541	3.838	10	20	HHCD	
CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	917212553	JBGMCPVRTHWKRQ-INIZCTEOSA-N	404.514	3.947	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1cccc([N+](=O)[O-])c1	917926617	ZLGIZUQHELIKMW-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccc(NC(=O)C(C)C)cc3)CC2)cc1	918000905	WLKWMVGXDRMIAH-UHFFFAOYSA-N	424.545	3.712	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCSc2ccccc21	918184928	UCKUHQRDKFNEPX-SFHVURJKSA-N	401.507	3.699	10	20	HHCD	
Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)on1	918219895	QMZOTFMWEOSPFE-FTRWYGJKSA-N	416.497	3.782	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccnc(-n3ccnc3)c2)cc1	918562291	GQEOVCBRKMQHKC-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3cnn(-c4ccc(Cl)cc4)c3)SC2=S)CC1	920472441	MGOKKSDTRYZOMK-LICLKQGHSA-N	418.975	3.821	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(CC)Cc3ccccc3F)cc2F)CC1	1318573747	BMVBIGFJRPIQNF-UHFFFAOYSA-N	416.516	3.838	10	20	HHCD	
O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3c[nH]c(C(F)(F)F)c3)n2)c1	1323995666	ALJJDQPEBORYTP-UHFFFAOYSA-N	418.378	3.866	10	20	HHCD	
CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2c(Cl)ccc3nonc23)cc1	1324857794	LWYFLPLGKSTZLM-UHFFFAOYSA-N	400.866	3.932	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(N2CCCC2)ncn1	302776406	FKKNRAFNGDBCHK-UHFFFAOYSA-N	407.440	3.544	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)C[C@@H](C)O1	542014874	KPOIEQCZQAGJOB-QZTJIDSGSA-N	424.545	3.793	10	20	HHCD	
CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)ccc21	727251015	SIXQLHUZWASOMC-UHFFFAOYSA-N	417.487	3.659	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCCN(C)C(=O)OC(C)(C)C)ccc21	728516087	NFAKKNONAXOYBO-UHFFFAOYSA-N	417.550	3.891	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	728521016	VTDUPXPBDCYJEE-UHFFFAOYSA-N	419.428	3.865	10	20	HHCD	
CCOc1cc(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)ccc1OC(F)F	728945595	AYUSSPXZYLWXIU-GFCCVEGCSA-N	410.417	3.961	10	20	HHCD	
COC(=O)NC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C	729736828	OJBCWBLXCVAVOR-UHFFFAOYSA-N	418.515	3.677	10	20	HHCD	
Cc1nn(C)cc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	733607275	JJRMLYYTYLYRKT-UHFFFAOYSA-N	417.412	3.777	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C[C@@H]3OCCc4ccccc43)cc2F)C[C@@H](C)O1	734320205	KBYMHOFRHAROKI-MFEFFIJZSA-N	412.505	3.760	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1	734558748	WDBNNZYQJZDQTR-UHFFFAOYSA-N	417.509	3.900	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(F)cc1OCC1CC1	741071823	GWEIQOZHVFKHSU-UHFFFAOYSA-N	417.456	3.912	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCC2(c3ccccc3Br)CC2)c1	741413488	VSOMNSUEXLTBBT-UHFFFAOYSA-N	405.292	3.694	10	20	HHCD	
COc1ccc(Br)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	741664301	CUHYTLXKKIOPCZ-UHFFFAOYSA-N	419.319	3.567	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)c(Br)c1	742690744	RMIZVPJRKJGBFI-UHFFFAOYSA-N	421.310	3.727	10	20	HHCD	
Cn1cc(-c2csc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)n2)cn1	743047501	XRVOZOHPTYKSCF-UHFFFAOYSA-N	406.386	3.502	10	20	HHCD	
C[C@@H](c1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1)N1CCOCC1	743150853	VEYLZJWSBORATR-KRWDZBQOSA-N	409.530	3.986	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n1	743623077	FLACUTYYXFLHCH-INIZCTEOSA-N	419.485	3.682	10	20	HHCD	
COc1cccc(CNC(=O)NCc2cccc(OC)c2OC2CCCC2)c1O	745818844	FMTGWMBSCRWOMY-UHFFFAOYSA-N	400.475	3.730	10	20	HHCD	
CC(C)CN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCCC1	746154320	RLNRKHVNLOGXAY-RTBURBONSA-N	419.585	3.956	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1	746321275	JXWVYKVEOGNAHV-XZOQPEGZSA-N	409.505	4.000	10	20	HHCD	
COc1cccc(C(C)(C)CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	749886224	NFIAJLPXSWZESN-UHFFFAOYSA-N	415.509	3.652	10	20	HHCD	
Cc1ccc2ncccc2c1S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	751136392	IHYYGXQTOFAENS-GOSISDBHSA-N	412.511	3.619	10	20	HHCD	
CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NC1CCCCC1	751930769	ITTPADBWDWHHBT-FQEVSTJZSA-N	415.559	3.946	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)C)c2C)c1	752331767	AWIXEDGIFXGMRN-GOSISDBHSA-N	419.489	3.698	10	20	HHCD	
COC(=O)c1cc(Cl)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	752713826	BVSBBDIJLPNPDR-UHFFFAOYSA-N	417.893	3.627	10	20	HHCD	
CC(C)(C)O[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1	754062047	UOTIEUFXSZKUBZ-QFIPXVFZSA-N	414.521	3.959	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(OC(F)F)c(F)c2)SC1=S	754679242	BRPZRBOBBFBEKE-WQLSENKSSA-N	405.419	3.582	10	20	HHCD	
Cc1cc(C)cc(CSCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	755930761	JEPIPDJPCCRWBB-UHFFFAOYSA-N	402.535	3.829	10	20	HHCD	
COc1cc([C@@H](C)N[C@@H](C)c2cc(Br)ccc2O)ccc1OCCO	756460785	SXCNVCAQBJYRHJ-OLZOCXBDSA-N	410.308	3.946	10	20	HHCD	
C[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)c(Cl)c1O	756647078	PVMQBIIBEQCOHV-MRVPVSSYSA-N	421.268	3.664	10	20	HHCD	
CCCCn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1CC	758094969	ZQDDEXRPIZJRKM-IRXDYDNUSA-N	416.541	3.928	10	20	HHCD	
CCCOc1cccnc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	758301289	DOLVTXBSDKIJAC-UHFFFAOYSA-N	405.445	3.871	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cc1	759496416	GBYDDLBCYVUFQQ-UHFFFAOYSA-N	409.530	3.843	10	20	HHCD	
C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1	759596593	OPPQQYIGQKHYGF-TZWLIRKLSA-N	411.454	3.910	10	20	HHCD	
CCN(Cc1nc(O)c2ccccc2n1)C(=O)NCCCSc1nccs1	759600250	CCABECSXWNDXPU-UHFFFAOYSA-N	403.533	3.506	10	20	HHCD	
C[C@H](NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1	760039867	GNLVUQNJRBKTAR-ITSWEJNFSA-N	402.485	3.618	10	20	HHCD	
COc1cc(Cl)cc(CN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)c1O	761192563	RWMFFTLXXBGELM-CQSZACIVSA-N	419.827	3.945	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1O	761208342	ZAMFZCPMQMLCFA-SFHVURJKSA-N	411.329	3.871	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	762286044	BOWHIXDDYAAUHS-BLVKFPJESA-N	406.841	3.725	10	20	HHCD	
C[C@@H](c1ccccc1)N(CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccccc1O	765492617	NURNQFRFQLNKRD-SFHVURJKSA-N	407.514	3.820	10	20	HHCD	
C[C@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCC2)cc1	765625078	VQEMAOIGDCICTP-XDHUDOTRSA-N	406.530	3.582	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CC(=O)NCc3cccc(Br)c3O)cc2)n1	765768056	HFKVAFPBKVBURC-UHFFFAOYSA-N	414.303	3.816	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3c[nH]nc3-c3c(F)cccc3F)CC2)cc1	767890666	KGSCKUVHEUDEDU-UHFFFAOYSA-N	412.440	3.716	10	20	HHCD	
Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c1	768157493	MYFNSFQZUUQSBP-UHFFFAOYSA-N	418.545	3.758	10	20	HHCD	
COc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1O	769508461	VKJMNWBSEMBIGN-QGZVFWFLSA-N	420.893	3.936	10	20	HHCD	
CO[C@H](C)c1nc(CN2CCCN(Cc3ccc(N(C)C)c(F)c3)CC2)cs1	770290051	XDBVLHYPMUTGJW-MRXNPFEDSA-N	406.571	3.764	10	20	HHCD	
CCOc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OCC	771820640	VCPINAUGQVKWIH-UHFFFAOYSA-N	404.850	3.812	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773013094	IEPXPZNUBFECQQ-DYESRHJHSA-N	409.530	3.633	10	20	HHCD	
Fc1cc(CNc2nc3ccc(Br)cc3[nH]2)ccc1N1CCOCC1	775171160	HMTGZDWVECNZBN-UHFFFAOYSA-N	405.271	3.913	10	20	HHCD	
CC[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)ccc1O	775551279	LPMVWFFKGWXSOG-ZWKOTPCHSA-N	418.335	3.782	10	20	HHCD	
O=S(=O)(c1ccc(CNCc2cc(Cl)cc(F)c2O)cc1)N1CCCCC1	775807181	DTBCLARSFXKIQS-UHFFFAOYSA-N	412.914	3.649	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCCNC(=O)c2c(F)cccc2F)c1O	779030658	CVTLXWXWUHSVAW-NSHDSACASA-N	413.262	3.822	10	20	HHCD	
COc1cc(Br)cc(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c1O	779431689	BCQZNWOWKCGABK-UHFFFAOYSA-N	413.356	3.632	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1	779517360	QCRGIHHMAIZPAK-AUNFYEFLSA-N	404.869	3.684	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCc2ccc(Sc3ccccc3)cc2)cc1	785422563	MUVAHVKJOBEEHC-UHFFFAOYSA-N	419.550	3.836	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\SC(=S)N(c4ccsc4)C3=O)cc2)CC1	790108506	SKVMPZZQIJWXED-ATVHPVEESA-N	401.582	3.906	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	790835508	RSIJPDQSHMWAOC-JKSUJKDBSA-N	403.548	3.668	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@@H](CO)c3ccccc3OC(F)(F)F)ccc21	792951087	CKYMZQHTBSDQML-KRWDZBQOSA-N	423.435	3.500	10	20	HHCD	
CC(C)(CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1	793951417	KPAIYVNZSSGGGH-UHFFFAOYSA-N	420.509	3.998	10	20	HHCD	
CC[C@@H](NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccc(C)cc1O	794795549	QGLRUMJLSRHQEX-NHCUHLMSSA-N	414.546	3.832	10	20	HHCD	
CCOc1cccc(CN(C)Cc2cn(-c3cccc(Br)c3)nn2)c1O	796014394	NGGDTBLKJQEMQI-UHFFFAOYSA-N	417.307	3.766	10	20	HHCD	
COc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(Cl)cc(Cl)c1O	796401557	FAUSVDSWKKGBPZ-UHFFFAOYSA-N	405.303	3.570	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3ccnn3-c3ccccc3OC)SC2=S)cn1	797399064	TTZLIHOKCSNMBS-YVLHZVERSA-N	411.512	3.503	10	20	HHCD	
C[C@H](NC(=O)N1[C@H](C(=O)O)CC[C@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1	797714544	JXBHAQMDGMWIRU-HSQYWUDLSA-N	423.513	3.584	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(O)(Cc4ccncc4)CC3)c2C)cc1	798255498	QWSOZXLIPFHQBJ-UHFFFAOYSA-N	419.525	3.708	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCc4n[nH]cc4C3)cc2Cl)C1	799953992	GJZRZZPIGZLEJJ-WMLDXEAASA-N	401.942	3.656	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)COCc3nnc(C)s3)c2C)cc1	803724620	WMGXATICNIYVGW-UHFFFAOYSA-N	413.499	3.505	10	20	HHCD	
Cc1ccc(NC(=O)C2CC2)cc1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	804221183	IIOMRKSNRKNJNM-UHFFFAOYSA-N	413.861	3.671	10	20	HHCD	
CC[C@H](N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1cc(Cl)ccc1O	806169512	GUFCBUUQOUPYTA-OALUTQOASA-N	418.921	3.905	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)Sc1ccccc1	807633331	XUGIPEMIEFIUPJ-QGZVFWFLSA-N	400.544	3.818	10	20	HHCD	
Cc1cc(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Cl	812916201	SMMLJFVNJOEZDE-UHFFFAOYSA-N	401.938	3.869	10	20	HHCD	
CC(C)Oc1ccc(N(C)C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)cc1	816591791	OKJXTKWHBSMMBG-GOSISDBHSA-N	419.566	3.673	10	20	HHCD	
O=C(NCCCN1CCc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1	916456274	BIIJLPJPZZIULO-OAQYLSRUSA-N	409.530	3.536	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)CC(C)C	918065648	WGTPJELPXHMPIN-NRFANRHFSA-N	404.599	3.673	10	20	HHCD	
CN(CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1F	918130233	MMBAMJONKHGFTK-IBGZPJMESA-N	415.509	3.748	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	918310690	RYNBTCLQLVDXOR-UHFFFAOYSA-N	418.881	3.692	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCNC(=O)NC1CCCCC1	918657937	IKOVILHTHAGRHX-UHFFFAOYSA-N	402.583	3.902	10	20	HHCD	
COCCOc1ccccc1NC(=O)NCc1ccc(N2CCSCC2)cc1	920042433	BWUGLYMTJLJNCJ-UHFFFAOYSA-N	401.532	3.587	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(Oc4ccccc4)CC3)CC2)cc1	1115956511	MZSXFKQVFIXHIJ-UHFFFAOYSA-N	409.530	3.917	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H]3CCO[C@H](c4ccc(F)cc4)C3)cc2F)CC1	1116590480	WKVYXEJZWXRGAY-REWPJTCUSA-N	401.501	3.727	10	20	HHCD	
COc1cc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc(Cl)c1OC	1342548913	NYQZRDQYBFYOPG-UHFFFAOYSA-N	403.910	3.957	10	20	HHCD	
CO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1	1790777387	WNFBLEBJMKKDIJ-GFCCVEGCSA-N	418.877	3.534	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	33881950	JNIWRPRGXRMRDM-YPKPFQOOSA-N	411.413	3.657	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC([C@H](O)c4ccccc4)CC3)CC2)cc1	110421984	KSZDFZNQJFPEPO-XMMPIXPASA-N	423.557	3.819	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCCc3cccc(Cl)c3)cc2F)CC1	303318651	QSSPBRIFHHXKMZ-UHFFFAOYSA-N	418.944	3.663	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc([C@H]4CCCOC4)nn3C)ccc21	468609623	WSJWGURBFLDIDC-SFHVURJKSA-N	410.518	3.784	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)[nH]1	726235908	JFJMUZFIMZHZSR-OAQYLSRUSA-N	419.529	3.864	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccc(OCC(F)F)c1	726617548	SULXZLMGTXYEBE-UHFFFAOYSA-N	419.472	3.509	10	20	HHCD	
Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCCSc1nccs1	733973339	FJHPTFKKMSVPNM-UHFFFAOYSA-N	403.577	3.581	10	20	HHCD	
CCc1ccc([C@H](C)CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	737517196	HTKJDVBRQDBHQE-XMSQKQJNSA-N	407.558	3.761	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1	738300375	WEBFOJPJPIZIPR-HSZRJFAPSA-N	413.537	3.704	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccccc3Oc3cccnc3)c2)CC1	739768116	LEFBMGYCDMBMHK-UHFFFAOYSA-N	416.481	3.828	10	20	HHCD	
CCO[C@@H]1C[C@H](O)C12CCN(CC(=O)c1cc(C)n(-c3cccc(F)c3)c1C)CC2	741251106	IYGWFDODQZRPSN-XZOQPEGZSA-N	414.521	3.668	10	20	HHCD	
C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1=O	742416710	LPUFVBCEHTZIPP-SFHVURJKSA-N	421.541	3.886	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2ccccc2c(O)n1	742800410	JTBMJVZVVQZMQA-HNNXBMFYSA-N	413.424	3.941	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743054280	ANPSLHIKPGBUSN-HNNXBMFYSA-N	419.428	3.850	10	20	HHCD	
COC(=O)[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1F	743475755	XVLVGTVTOVATRP-LJQANCHMSA-N	408.420	3.900	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCc1ccccc1OC	743870891	GBPMKMVIXKXJNM-AWEZNQCLSA-N	421.335	3.690	10	20	HHCD	
Cc1noc(Cl)c1CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	744325660	UDIVQSDIBNVVMH-CHWSQXEVSA-N	409.889	3.638	10	20	HHCD	
O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)Nc1ccc(N=Nc2ccccc2)cc1	744349238	DJYZYZBDAFJYSI-VURPSTOHSA-N	418.453	3.593	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCCC4(CCOCC4)C3)cc2F)C[C@H](C)O1	745649799	YIRRDXPYZLVPQM-ROUUACIJSA-N	419.541	3.542	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3cccc(-n4cccn4)c3)CC2)cc1	745797144	ZZRGGHGENDJGFB-SFHVURJKSA-N	419.529	3.910	10	20	HHCD	
Cc1cccc2c(CCNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c[nH]c12	745841838	UHKQCXMNYSSEHS-UHFFFAOYSA-N	406.530	3.697	10	20	HHCD	
CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccnc1	751612091	MOXQSUBQFUNWEG-HSZRJFAPSA-N	410.562	3.529	10	20	HHCD	
CO[C@H](C)c1nc(CN2CCCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)cs1	752356403	XCYUXJMGQUFZHT-OAHLLOKOSA-N	421.538	3.606	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1	753295314	SHXSMDWXIHMKSM-KRWDZBQOSA-N	400.544	3.500	10	20	HHCD	
Cc1ccc(Cn2cccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)c2=O)cc1	754468360	NOYZPPYGDAFGNR-UHFFFAOYSA-N	414.509	3.903	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1	756100581	LJDYHVCDZZUPFA-UHFFFAOYSA-N	418.335	3.695	10	20	HHCD	
COc1ccc(OC)c([C@H](O)CN[C@@H](C)c2cc(Br)cc(F)c2O)c1	756382852	FBGDMZQHKZZSLN-MGPLVRAMSA-N	414.271	3.695	10	20	HHCD	
COc1cc(C[C@H](CO)CN[C@@H](C)c2ccc(Br)cc2O)cc(OC)c1	756636431	JIZQTNVHYDRJKX-ZFWWWQNUSA-N	424.335	3.674	10	20	HHCD	
COc1ccc(C(=O)N2CCC(N[C@@H](C)c3cc(F)cc(F)c3O)CC2)cc1OC	756732149	GUKXRXPFNWJCTN-ZDUSSCGKSA-N	420.456	3.643	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3ccc(C)cc3C)CC2)cc(OC)c1OC	758923646	SNRDMAIJCYMIMP-UHFFFAOYSA-N	415.559	3.848	10	20	HHCD	
COc1cc(N2CCN(C(=O)CC(C)(C)c3ccccc3)CC2)cc(OC)c1OC	759220722	KOSQPOGCGNJJLJ-UHFFFAOYSA-N	412.530	3.729	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc(N2CCOC2=O)cc1	759570498	PGNGZYBWMKGONU-CYBMUJFWSA-N	406.533	3.642	10	20	HHCD	
C[C@H](NC(=O)Nc1ccccc1O[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1	760061337	HUGMUXJPESBQBR-FXAWDEMLSA-N	411.502	3.574	10	20	HHCD	
Cc1ccccc1-c1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n(C)n1	764736660	RTFDTYZHDBNLAL-UHFFFAOYSA-N	419.529	3.896	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F	764839485	HCJXMEQKGQWMTQ-OAHLLOKOSA-N	421.419	3.784	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CCCC1=O)c1ccc(N2CCOCC2)c(F)c1	764864061	GGJUBKJLOSHAGE-SFHVURJKSA-N	411.521	3.636	10	20	HHCD	
C[C@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl	765287460	IEDORENILSSVNZ-WMZOPIPTSA-N	406.929	3.818	10	20	HHCD	
O=C(Cc1c[nH]c2ccc(F)cc12)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768913216	WXTGGCKDSIQSFX-SFHVURJKSA-N	415.896	3.989	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cc(Br)ccc1F	771243089	OHJVIANQAANAMN-UHFFFAOYSA-N	421.310	3.626	10	20	HHCD	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCN(C)CC4)cc3)NC2=S)cc1	771520045	IMSVMWGUGMVJLA-JWGURIENSA-N	420.582	3.824	10	20	HHCD	
CC(C)N(CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(N(C)C)cc1	771791697	QVPHNGFVFYJKRG-UHFFFAOYSA-N	424.589	3.828	10	20	HHCD	
COc1ccc(/C=C/C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1O	773195482	TZUNTZVHTJKNAU-WQRDJFRPSA-N	418.440	3.801	10	20	HHCD	
COc1cc(OC)c(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1Br	775082649	HBFZPEYCNAUXJG-UHFFFAOYSA-N	413.224	3.701	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	775258651	IIDJWUOCTSRJGL-CVDCTZTESA-N	412.574	3.911	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)cc1	776024919	SMXLMEINIGIXHD-UHFFFAOYSA-N	400.376	3.749	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](n3cncn3)C2)c(C)n1-c1ccc(F)c(Cl)c1	776876151	DSJDMXZKPQPYMB-MRXNPFEDSA-N	401.873	3.608	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(Br)cc1F	779003931	LUEPIEGGIPUEJG-GFCCVEGCSA-N	412.278	3.810	10	20	HHCD	
O=S(=O)(c1cnc(-c2ccccc2)nc1)N(Cc1ccccc1O)C1CCCC1	780790953	BVXFGQAMUWHHOE-UHFFFAOYSA-N	409.511	3.983	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)c1ccc(N)cc1	783483181	OMXHSWXSMKXYTA-QGZVFWFLSA-N	414.509	3.947	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cnc(C2CC2)nc1)c1ccc(N)cc1	783487537	WNJBJNUXCRIACK-HNNXBMFYSA-N	401.470	3.669	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1OCC(F)(F)F	784025749	KNHYEUSAHDVNOC-UHFFFAOYSA-N	410.392	3.711	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2csc(-c3ccccn3)n2)cc1	784107940	CUXPOIGPCFSOTC-UHFFFAOYSA-N	421.526	3.949	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCCCC12OCCO2	785049803	APFFSWIWPVKSRE-LJQANCHMSA-N	408.458	3.842	10	20	HHCD	
CCC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1	792052395	SEZGOSIZPWXEQD-TZYHBYERSA-N	411.546	3.786	10	20	HHCD	
COc1ccc(CNC(=O)CSc2nccn2-c2cccc(Cl)c2C)c(O)c1	794382268	SUSBWRSTWJKLGR-UHFFFAOYSA-N	417.918	3.957	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(Br)cc(F)c2O)s1	794826842	FOTOYLDTTDMXKQ-SECBINFHSA-N	422.341	4.000	10	20	HHCD	
O=S(=O)(NCc1ccco1)c1cccc(NCc2c(O)ccc(Cl)c2F)c1	796381514	ANLMXXQZSGDRGT-UHFFFAOYSA-N	410.854	3.868	10	20	HHCD	
CC[C@@H](NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(F)cc1O	796684176	QRHZSOPGWDRQTC-HXUWFJFHSA-N	406.523	3.734	10	20	HHCD	
COC(=O)N1CCC(CN[C@@H](C)c2cc(Br)cc(Cl)c2O)CC1	797094751	XCVCAEQUQMTVIB-JTQLQIEISA-N	405.720	3.937	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c(O)c1	797626307	IHOLMIRGNCVSPW-UHFFFAOYSA-N	400.822	3.958	10	20	HHCD	
FC(F)(F)Cn1nnc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n1	799299673	BGXTXIJMDBVYRJ-CQSZACIVSA-N	424.452	3.570	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1F	799564078	SZXKAHYFDZZFSR-INIZCTEOSA-N	422.545	3.728	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(Cc4ccccc4)[C@@H]3C)CC2)cc1	806683190	BGDKZQUMLBFJKF-NTKDMRAZSA-N	422.573	3.626	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@@]3(C)CCCS3)cc2Cl)C1	807774561	BXRFMFWSZFBQCF-YCRPNKLZSA-N	424.010	3.594	10	20	HHCD	
COc1cc(O)c(CN[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)cc1OC	809662966	ONDPIZWVNVSOMD-ODYPEACGSA-N	411.498	3.657	10	20	HHCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@@H](O)COc1ccc2c(c1)OCO2	815565233	HDPUIWQMALFBLU-DENIHFKCSA-N	421.493	3.824	10	20	HHCD	
O=C(CCCOc1ccccc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472033	FHSARBSYEYCKQT-LJQANCHMSA-N	402.922	3.985	10	20	HHCD	
CC(C)COc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	915269423	YXEDOZXCFIAQMP-HXUWFJFHSA-N	419.543	3.797	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cccc(CN4CCCC4)c3)CC2)cc1	918008699	PMQCDMFUQFJVRN-UHFFFAOYSA-N	422.573	3.713	10	20	HHCD	
CN(c1ccc(CNC(=O)NC[C@@H](CO)CC2CCOCC2)cc1)C1CCCCC1	1324699555	GXVRZKFUCBKZEO-NRFANRHFSA-N	417.594	3.680	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3\SC(=S)N(CCc4cccnc4)C3=O)cc2)cn1	1325016737	QPCBFFYMENEBRB-ODLFYWEKSA-N	406.536	3.926	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1327125429	XZULINCDXMHCBE-FQEVSTJZSA-N	409.530	3.536	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cnc2c(cnn2Cc2ccccc2)c1	1329518987	POYQPKQPWBLQMM-UHFFFAOYSA-N	404.817	3.922	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1	1337786029	TYUNUQGWFPGTCI-JRGCBEDISA-N	407.558	3.736	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1)c1cc(O)nc(O)c1	1788424227	KEYLESHXTRLJJN-UHFFFAOYSA-N	409.467	3.616	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1	7228416	RWCAKVDSUBWEPC-UHFFFAOYSA-N	402.907	3.865	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)cc1)C1CCCCC1	195717889	YTKDTNUCWYPVBR-MSOLQXFVSA-N	411.468	3.529	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)cc1F	804853920	XIOCHUXNKLOQFP-UHFFFAOYSA-N	411.930	3.662	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1	807100063	HHGGNDLEJYQDTD-UHFFFAOYSA-N	408.329	3.643	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1CCN(CC(F)(F)F)CC1	805318129	DZZJHXABDACQLL-UHFFFAOYSA-N	414.255	3.773	10	20	HHCD	
CC(C)(O)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	806733717	QOPQPLHUUKIVFP-UHFFFAOYSA-N	424.541	3.597	10	20	HHCD	
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837211	HCXAYPOGNDFSNA-CYBMUJFWSA-N	405.347	3.653	10	20	HHCD	
CC(C)C(=O)Nc1nc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cs1	807839591	IHRTYGVJRQYZLB-UHFFFAOYSA-N	402.303	3.609	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(Cc3ccccc3F)C3CC3)cc2)CC1	805025507	QKHISEZRFNVXKH-UHFFFAOYSA-N	423.532	3.869	10	20	HHCD	
COc1cc(OC)cc(C2(F)CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)c1	801966018	INGPEVGFNDOJNL-UHFFFAOYSA-N	415.509	3.940	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)cc(Br)c1O	814284411	GBRZLBQZZNNLOA-KPKJPENVSA-N	400.319	3.917	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1	815652708	OEJFQQKVXOVYKD-AUSJPIAWSA-N	414.477	3.721	10	20	HHCD	
O=C1N=C(SCCCN2C(=O)CNC2=O)S/C1=C\c1csc2ccccc12	814771669	BVTBCJGYPXQICC-ZSOIEALJSA-N	417.537	3.547	10	20	HHCD	
COc1ccc(CCNCc2ccc(N3CCOCC3)c(F)c2)c(Cl)c1OC	815145419	SZVTZLWUEXVLEN-UHFFFAOYSA-N	408.901	3.665	10	20	HHCD	
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1O	813682747	INAGUBVPOVKVTN-VIFPVBQESA-N	401.677	3.787	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)ccc21	726249879	NQHUOIQFCQVAAO-LJQANCHMSA-N	416.566	3.610	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3cc(=O)n4ccc(C)cc4n3)ccc21	728636855	CXTWCEGFWOXKFA-UHFFFAOYSA-N	419.481	3.578	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCCC4)nn3)c2C)c1	727875219	RXNRTKHFBYQDGX-UHFFFAOYSA-N	418.497	3.832	10	20	HHCD	
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NCc1ccc(N(C)C)cc1	727592584	HYBKMFOBNFVLDN-UHFFFAOYSA-N	412.559	3.572	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c1	729535147	LJLBIYOYWDUUNJ-VGSWGCGISA-N	418.493	3.619	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=S)Nc2ccc(C(N)=O)cc2)cc1	726476324	ZFTSDQMARYMUML-UHFFFAOYSA-N	408.527	3.844	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCCc2nc(O)c3ccccc3n2)cc1F	731346711	QZLNAEDMLWEGCC-UHFFFAOYSA-N	410.493	3.960	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1F	731347328	TZVXYDTYMYYXRZ-UHFFFAOYSA-N	422.504	3.974	10	20	HHCD	
CC(C)(C)c1ccc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	738884030	CFVOPDSZOZAJNC-UHFFFAOYSA-N	415.559	3.541	10	20	HHCD	
CCCOc1ccccc1NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1	731408063	DBHUTIWJTXKJHX-UHFFFAOYSA-N	401.482	3.716	10	20	HHCD	
COc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1NC(C)=O	916681382	VICJZFKJJZVPDT-GOSISDBHSA-N	413.474	3.572	10	20	HHCD	
COc1ccc(OC)c([C@@H](C)NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1	917074929	LZZSOCSARKQEEE-GOSISDBHSA-N	413.562	3.858	10	20	HHCD	
CC(C)C[C@H](CCO)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745902928	BFXGJQCKQMFHCR-IRXDYDNUSA-N	413.509	3.601	10	20	HHCD	
Cc1cc(C)cc(C(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	914455376	YESNEHSVMNFMLA-UHFFFAOYSA-N	419.525	3.921	10	20	HHCD	
CCC(CC)[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCOCC1	918065908	YYLBMWDMGXMURX-QHCPKHFHSA-N	416.610	3.564	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](C)CCc2ccc(Br)cc2)c1O	745737451	OQPVKYIIBZDMTO-CYBMUJFWSA-N	407.308	3.984	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1	741429890	AZVZBGBHXOJXRQ-GBXCKJPGSA-N	424.589	3.574	10	20	HHCD	
C[C@@H](OC(=O)[C@H](C)c1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	745131338	FBWOFELHGGKMAB-ZIAGYGMSSA-N	417.417	3.729	10	20	HHCD	
COc1ccccc1C1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	749125630	XRPSJJIJNYKXFQ-IAGOWNOFSA-N	412.505	3.796	10	20	HHCD	
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CC=CC2)cc1	741090486	HWUYTPQCGSPVDQ-QHCPKHFHSA-N	421.541	3.962	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)Cc1cccc(O)c1	748816071	COSOYXUXMHMZIW-HNNXBMFYSA-N	414.461	3.627	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@H]2CCN(C)C(=O)C2)sc(C)c1-c1ccc(F)cc1	912518258	MGIOIQDLJAHXKO-AWEZNQCLSA-N	418.490	3.846	10	20	HHCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1	742379488	COXXHRMPMHTWKR-FXAWDEMLSA-N	408.502	3.869	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC	752711878	GKDSQJDNFQPQDG-UHFFFAOYSA-N	402.447	3.640	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1F	750286371	NEHJNRDZHMWLPX-HXUWFJFHSA-N	421.557	3.932	10	20	HHCD	
COc1ccc(C(=O)N2CCC(N[C@H](C)c3ccc(C)c(C)c3O)CC2)cc1OC	756732631	IVSYPOLVSRRPCT-QGZVFWFLSA-N	412.530	3.982	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(F)c(F)cc(F)c1F)c1ccc(N2CCOCC2)cc1	752908787	DWINKYFYEFRKDR-GFCCVEGCSA-N	411.399	3.640	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c1O	750817839	WHACVVXWKUIXBV-NRFANRHFSA-N	412.461	3.514	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	759578827	KEGPSEDUAWWIHE-PZBABLGHSA-N	405.834	3.652	10	20	HHCD	
C[C@H](C(=O)Nc1cc(Cl)ccc1F)N(C)Cc1ccc(N2CCOCC2)cc1	862028574	DFLREQDGFSPFKF-OAHLLOKOSA-N	405.901	3.775	10	20	HHCD	
COc1ccc(CN2CCCN(Cc3cccc(Br)c3O)CC2)cc1	768132561	HKSWYIJNNLSTOL-UHFFFAOYSA-N	405.336	3.871	10	20	HHCD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	764852700	JKPBUVZKYAMOSU-ZHSNQQFMSA-N	414.521	3.529	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1	763020865	KUKNDDSOXFLXGV-VBKZILBWSA-N	421.900	3.686	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1coc(C2CCC2)n1	766419818	ORCNISBDDQFDDH-UHFFFAOYSA-N	409.408	3.728	10	20	HHCD	
O=C1Nc2ccccc2[C@@H]1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	1116443920	IVNLBHQJQJYHRC-SFHVURJKSA-N	401.850	3.902	10	20	HHCD	
CCOc1ccc(-c2nc(NS(=O)(=O)c3cn(CC)c(C)n3)sc2C)cc1	768010609	FZCSNHXJZHTMQG-UHFFFAOYSA-N	406.533	3.843	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(C)c(Br)c2)SC1=S	767879509	UZSNSRPPAZFLCH-LCYFTJDESA-N	414.346	3.912	10	20	HHCD	
C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@H](C)c1ccc(N2CCCCC2)cc1	766070793	KIJRHNDXVYYISV-FCHUYYIVSA-N	407.606	3.933	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CC(=O)O)C2CC2)c(C)n1-c1cccc(Br)c1	767074677	QQMHRPMTKNQOGI-KRWDZBQOSA-N	405.292	3.840	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775646512	JDTWZGRJRLLAKE-UHFFFAOYSA-N	406.841	3.764	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(NCc3cccc(Cl)c3O)CC2)cc1	776109437	ZNFHZGVXENHNFQ-UHFFFAOYSA-N	408.951	3.598	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1O	775031431	DJAUFTXEFOQHDM-VFNWGFHPSA-N	416.474	3.724	10	20	HHCD	
CCN(CC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1)C(=O)OC(C)(C)C	779526437	ULHIPDUTPSXITB-VQHVLOKHSA-N	404.507	3.607	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1O	772831127	XSXXFHCCAQPXSU-XMSQKQJNSA-N	406.526	3.778	10	20	HHCD	
COc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c1	775209516	YMURFNZHEMAJSD-UHFFFAOYSA-N	403.485	3.578	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCc3nn(C)c4ccccc34)cc2)CC1	773294851	WWKTXROQQTZJGO-UHFFFAOYSA-N	405.546	3.852	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1O	779029871	LAQUDMXMGYTDRC-KDOFPFPSSA-N	403.320	3.915	10	20	HHCD	
Cc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c(C)n1-c1ccc(Cl)cc1	771580812	FESRSOOQMFWHJZ-FQEVSTJZSA-N	401.938	3.731	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1O	779025932	GBWIHTNTWYLXPJ-IERDGZPVSA-N	419.363	3.751	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)c(F)cc1C	789589491	MOAKZTJTRSFBDT-UHFFFAOYSA-N	423.282	3.980	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C=C(/C)c3cccc(Cl)c3)cc2)CC1	786256740	VQNMRDBAMSKJNK-VKAVYKQESA-N	411.933	3.728	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C\c3nccn3-c3ccccc3)SC2=S)c1	790208331	IAEBRSRAMLWFRM-FOWTUZBSSA-N	407.476	3.976	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1cnnn1C	798397581	HXULEVZAMWBTDQ-INIZCTEOSA-N	403.408	3.740	10	20	HHCD	
CCc1nn(C)c(CC)c1CC(=O)N(CC)Cc1cc(Br)ccc1O	790773543	ZERBLYASBJVJNF-UHFFFAOYSA-N	408.340	3.604	10	20	HHCD	
C[C@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799993144	CVSKUPFIMBDHJU-YHVIJMSQSA-N	411.999	3.627	10	20	HHCD	
COc1cc(CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)ccc1SC	1319702712	RZSIYYMMJDBLGX-UHFFFAOYSA-N	403.567	3.940	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(OC[C@@H]4CCCO4)c3)CC2)cc1	1320023109	AFNAHXWRHDSVCL-QHCPKHFHSA-N	410.514	3.606	10	20	HHCD	
C[C@@H]1CCc2sc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2C1	7019923	YBPWZQUWTXTFON-OAHLLOKOSA-N	400.544	3.754	10	20	HHCD	
CSc1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1-c1ccccc1	10054618	HOQUHZJRRNIOAJ-UHFFFAOYSA-N	422.554	3.703	10	20	HHCD	
CC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1	10619220	ZBVIUMNLBIUMNS-GOSISDBHSA-N	414.477	3.526	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1c(Cl)cccc1Cl	10906507	RWIILSZLLUCJMA-UHFFFAOYSA-N	409.313	3.867	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1occc1COc1ccccc1	21414800	LBXHNHVTELPEMS-UHFFFAOYSA-N	406.482	3.967	10	20	HHCD	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc2c3c([nH]c12)CCCC3	195632128	VJHIXMIKXFPKPC-UHFFFAOYSA-N	423.538	3.534	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1	195700688	GMJKPCJPNHPKRT-UHFFFAOYSA-N	415.342	3.903	10	20	HHCD	
CCCCOc1cccc(CNC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1	556022288	KRKIOSSPYPXZNO-UHFFFAOYSA-N	407.514	3.598	10	20	HHCD	
O=C(NC1CC1)c1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	725849257	XVAVNYLHWUKJKS-UHFFFAOYSA-N	408.502	3.767	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3ccc(OC)c(OC(F)F)c3)SC2=S)cn1	726197757	XYMUOXOXSNFCPO-AUWJEWJLSA-N	411.455	3.919	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1F	727602716	YYIWESUYRYOCDN-LJQANCHMSA-N	409.864	3.967	10	20	HHCD	
CCn1nc(C)c(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C	727604025	FVEXMFHSQWOFJI-UHFFFAOYSA-N	421.492	3.589	10	20	HHCD	
CNS(=O)(=O)c1ccc(Nc2ccc(NC3CCCCC3)cc2)c([N+](=O)[O-])c1	728051400	UVSWBMASEBXWPL-UHFFFAOYSA-N	404.492	3.991	10	20	HHCD	
CC(C)[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	728466917	CGNNXQUANYULFI-GMAHTHKFSA-N	407.558	3.834	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(-c2nccc(C)n2)cc1	734693569	VZNHHSGGSJTCAO-UHFFFAOYSA-N	417.513	3.505	10	20	HHCD	
COCCOc1cccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1	735328504	BXVPFLCSQYSJND-ZDLGFXPLSA-N	415.492	3.846	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2cnc(-c3ccccc3)n2)cc1	735417290	UGMTUDAIZVITHR-UHFFFAOYSA-N	415.497	3.833	10	20	HHCD	
CCn1cc(Br)cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	735520359	YTBHFIREQANFRL-MRXNPFEDSA-N	407.308	3.798	10	20	HHCD	
CCCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	741084665	RAFQRZCDSOQPNY-YPAWHYETSA-N	415.578	3.899	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nc2ccccc2n1C	745336195	HPJVEMXSTSAYLH-UHFFFAOYSA-N	417.307	3.773	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cc3cc(Cl)ccc3Cl)cc2)C1	748184327	DHDDLULASVWCRT-OAHLLOKOSA-N	420.340	3.554	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1(CC)CC	749554743	JOMRUINTDYOHRG-FGZHOGPDSA-N	417.594	3.678	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C	749557163	DUARZXOQHJQIRV-AUSIDOKSSA-N	406.574	3.779	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)oc1C	751126206	HKNIJDPCVLORRH-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
C[C@H](NC(=O)Cc1ccc(Br)c(F)c1)c1ccc(N2CCOCC2)cc1	751716109	HCVIMHUPCYFLRB-AWEZNQCLSA-N	421.310	3.845	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN[C@H](C)C3CCCCC3)cc2F)C[C@@H](C)O1	754121202	AQCJVSUBGPFKRQ-FGTMMUONSA-N	405.558	3.614	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(Br)c(F)cc1O	756543560	QIZPKYXSKDYCJI-UWVGGRQHSA-N	420.225	3.663	10	20	HHCD	
C[C@@H](NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(F)cc1O	756774058	FJCQXUKUBYPBNZ-LLVKDONJSA-N	407.385	3.554	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnc([C@H]3CCCO3)s2)cc1	760310369	SIVBDXHQXXAAAN-RTBURBONSA-N	415.559	3.882	10	20	HHCD	
Cc1c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cccc1C(F)(F)F	761024690	OTUZIQACZJOQKO-UHFFFAOYSA-N	405.420	3.869	10	20	HHCD	
COC(=O)[C@@H](CC(F)(F)F)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	765327327	UUCWLAZRIHPAHZ-MRXNPFEDSA-N	416.827	3.900	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc(Br)cnc1Cl	765750587	JGQCWFUSXHCYNL-UHFFFAOYSA-N	420.488	3.896	10	20	HHCD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	765975204	BEMHWXMXQZPFOH-YOEHRIQHSA-N	418.335	3.501	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(Cl)ccc1OC	765977724	IHQKJMILPAGELJ-FQEVSTJZSA-N	422.978	3.824	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	766345999	IGFWQGWAUYJZRQ-MSOLQXFVSA-N	404.432	3.703	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cn2c(SC(F)F)nc3ccccc32)c1	768909872	BZRAZQHGZDFGHO-LLVKDONJSA-N	407.442	3.943	10	20	HHCD	
CN1CCN(c2ccc(CNCc3csc(COc4ccccc4)n3)cc2)CC1	768955237	SVUGKSXQBJPGFS-UHFFFAOYSA-N	408.571	3.764	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)cc1)C1CCCCC1	772222552	XZHNQZDOIVKYSC-UHFFFAOYSA-N	411.550	3.662	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1	772464002	YMXRKYBKNYNVJE-SOUVJXGZSA-N	407.511	3.549	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C(F)(F)F)c1	773844974	FNOQBHLYNIZRBG-ZDUSSCGKSA-N	423.435	3.986	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3cccc(Cl)c3Cl)nc12	775442039	VZLKXIFGYHZRNX-JTQLQIEISA-N	409.273	3.769	10	20	HHCD	
CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779545956	VOQHALQDYLKRFB-YCWFIWPQSA-N	406.276	3.766	10	20	HHCD	
CCOC(=O)[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCCOC1	782174156	GICWZRUOSGTJHU-HTAPYJJXSA-N	424.501	3.988	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1NC(=O)c1ccccc1	782750154	MBTYMYCYGIGDTO-UHFFFAOYSA-N	405.406	3.698	10	20	HHCD	
C[C@@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C(=O)OC(C)(C)C	786165106	KONJMWPQIQJUAQ-UZLBHIALSA-N	401.551	3.889	10	20	HHCD	
O=C1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2ccccc21	786410182	RAAKVEMPPISNGT-XLIONFOSSA-N	412.917	3.887	10	20	HHCD	
COCc1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	787502330	BFSPYTZWIUFJEM-UHFFFAOYSA-N	410.514	3.516	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cccc(O)n2)c(C)n1-c1ccc(OC(F)F)cc1	787543019	FUJONEGPZFCCOF-UHFFFAOYSA-N	416.380	3.836	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1OC(F)F	787869686	MYGVSYLLGKQEGT-KBXCAEBGSA-N	419.472	3.799	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H]1CC2(CCC2)C(=O)O1	792222338	VIZSHWBLQDSMTA-GOSISDBHSA-N	400.519	3.950	10	20	HHCD	
C[C@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cc(F)cc(F)c1O	793573429	QXBRJDLRXZTMEX-YTEVENLXSA-N	415.440	3.746	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cl)c1N(C)C	802609840	MKZKNSUJJKQBFD-UHFFFAOYSA-N	403.910	3.879	10	20	HHCD	
COc1cccc2c1CC[C@H]2NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	804530890	HPXJOWZCSQQSBI-OAQYLSRUSA-N	422.525	3.866	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1c(F)c(F)c(F)c(F)c1F	805134604	DMWBJWLBRMZDKG-UHFFFAOYSA-N	422.158	3.873	10	20	HHCD	
C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)NCCCSc1nccs1	806276227	LMTNXMAPIICQRF-RHSMWYFYSA-N	403.573	3.571	10	20	HHCD	
Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCC2	806496118	POVHOSLZGZDYLY-REWPJTCUSA-N	420.557	3.574	10	20	HHCD	
CCc1cc(N2CCC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)ncn1	806796679	MGOGKZNXMLPLRG-HNNXBMFYSA-N	424.332	3.520	10	20	HHCD	
CC(C)n1cc2cc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2n1	807511449	NDRIKNAATIPBPK-UHFFFAOYSA-N	421.284	3.885	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN(C(=O)NC2CCCC2)C1	807837185	FLSLQDWSXZCPRU-LBPRGKRZSA-N	414.333	3.679	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCc2ccccc2OCCN2CCOCC2)c1O	808682532	UGIGHHPUCUIJET-KRWDZBQOSA-N	404.938	3.916	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1ncc(I)s1	809536978	CPWBQSSPEWAVSU-UHFFFAOYSA-N	401.317	3.836	10	20	HHCD	
CC[C@]1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)OCCc2ccccc21	812492729	LNBVFTFNNSNRFK-SQJMNOBHSA-N	424.541	3.961	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(Cc2ccc(F)cc2Cl)CCOCC1	818965732	DUXGDQCJTCNHFE-QHHAFSJGSA-N	405.853	3.812	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1	914491648	OILJKAQHEPHNKT-JOCHJYFZSA-N	420.513	3.674	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)c(C)o1	918195763	AMAFEWLXQIRSAQ-UHFFFAOYSA-N	417.512	3.948	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CN2CCCC2=O)c(C)n1-c1ccc(Br)cc1	918701377	SBCLXWKHXRSZAU-CYBMUJFWSA-N	418.335	3.597	10	20	HHCD	
C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc(N2CCOCC2)cc1	920920562	NKSSPJNMFVSUNR-GBXCKJPGSA-N	422.573	3.721	10	20	HHCD	
C[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)nn1)c1ccc(N(C)C)cc1	1320520968	BQKVZYJPGIXEBH-CYBMUJFWSA-N	414.307	3.587	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(OCc4ccccc4F)CC3)cc2F)CC1	1320756834	KELZYJICXRWKTO-UHFFFAOYSA-N	415.528	3.898	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(F)c[nH]2)C3)cc1	1845399306	MWQHJAZDEZJVTM-UHFFFAOYSA-N	420.488	3.692	10	20	HHCD	
O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1ccccc1	10732683	ZNYZSRBZBAOXTK-UHFFFAOYSA-N	419.820	3.911	10	20	HHCD	
COc1ccc(CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	55529813	YIDXYCYVSNGQNQ-IAGOWNOFSA-N	400.494	3.697	10	20	HHCD	
Cc1cc(C(=O)NCCCn2ccnc2)c(C)n1-c1ccc(Br)cc1	97252586	WCAWFUDEGVBCDZ-UHFFFAOYSA-N	401.308	3.873	10	20	HHCD	
Cc1c(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)n(C)c2ccccc12	471225839	ACSBHWYXDKOMIM-UHFFFAOYSA-N	422.506	3.984	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(c4nccs4)CC3)ccc21	486999736	JZKQBTSNLXWLIK-UHFFFAOYSA-N	412.559	3.714	10	20	HHCD	
CSc1cc2c(cc1NC(=O)N1CCOc3cc(N(C)C)ccc31)OCCO2	543882406	BZIHXDGEPQDPEI-UHFFFAOYSA-N	401.488	3.677	10	20	HHCD	
C[C@H]1CN(CCCCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1	725848714	DTHPFNXWWXVGOH-OALUTQOASA-N	404.555	3.564	10	20	HHCD	
O=C(CNCc1cc(Br)ccc1O)Nc1ccc(Br)cc1	725849749	REMYDTIHXKELFG-UHFFFAOYSA-N	414.097	3.646	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3c(C)nn(Cc4ccccc4)c3C)CC2)cc1	726560774	MMLMWGCFHGKXIT-UHFFFAOYSA-N	418.541	3.956	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2ccccc2oc1=O	726565625	FIIYVLQRKGRARQ-UHFFFAOYSA-N	414.408	3.793	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C(C)(C)CO)c(C)n1-c1cccc(Br)c1	726668344	QAZKATBPFWESQM-UHFFFAOYSA-N	408.292	3.601	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H]2CCCCNC2=O)c(C)n1-c1cccc(Br)c1	728701777	LECACPAMGIILGI-SFHVURJKSA-N	418.335	3.597	10	20	HHCD	
CN(C[C@H]1CCCOC1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	730792354	GSKYLOUFFWRYBU-VQCBNXJZSA-N	424.613	3.615	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@H](N3CCCC3=O)C2)c(C)n1-c1ccc(Cl)cc1	732150452	BTQWYKGJVHQPFM-NRFANRHFSA-N	413.949	3.903	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OCCN2CCCC2)cc1	732254435	YZEYMZSUGUWIRB-UHFFFAOYSA-N	410.562	3.569	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCC1CCOCC1	733007298	FOHSXXZJFFRDKD-PTNGSMBKSA-N	411.570	3.699	10	20	HHCD	
CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	734066283	QWZWCJFIYLHYRR-NZQKXSOJSA-N	420.557	3.607	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC[C@H]1c1ccc[nH]1	734269911	MJFMOYOXLYDIHJ-IBGZPJMESA-N	422.451	3.917	10	20	HHCD	
CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	741085547	CLEKZWUIOFUIAE-XMMPIXPASA-N	424.589	3.776	10	20	HHCD	
CC/C(=C\C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C)cc1	741543295	IMTIQEOIAMAZEI-QDUHJBTASA-N	405.542	3.807	10	20	HHCD	
COc1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1-n1cnnn1	741737427	PBRJQLBPEAMLMU-UHFFFAOYSA-N	422.876	3.984	10	20	HHCD	
Cc1cc(O)c(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1C	742367804	KFVPKLFMNWIWOW-UHFFFAOYSA-N	421.520	3.555	10	20	HHCD	
C[C@H](Oc1ccccc1F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806215	QNWQXNICGAFKSG-GJZGRUSLSA-N	408.420	3.980	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C12CCC2	745649861	ZSNNBLOXYVIXEI-LXDRIQHSSA-N	419.541	3.586	10	20	HHCD	
O=C(NCCCc1cccc(Cl)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	746231103	BMVQWXWZDLMQTQ-UHFFFAOYSA-N	419.928	3.872	10	20	HHCD	
CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	746363180	MZPVGHCALGLKOU-KRWDZBQOSA-N	424.501	3.956	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1nc(-c2cccs2)cs1	746800531	MXFMWJJSRBKXPW-UHFFFAOYSA-N	400.529	3.501	10	20	HHCD	
Cc1c(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cccc1[N+](=O)[O-]	747903322	WAMRDIDGSFROHR-INIZCTEOSA-N	419.428	3.832	10	20	HHCD	
Cc1cccc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	749190473	IZMZVCIRBWJLKL-UHFFFAOYSA-N	421.463	3.892	10	20	HHCD	
O=C(Cc1cc(F)cc2c1OCOC2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754536184	JFSSKVSFAOVMNH-UHFFFAOYSA-N	417.392	3.649	10	20	HHCD	
C[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)cc(F)c1O	756470375	PIWJQSMLAAQVPP-JTQLQIEISA-N	417.300	3.516	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)c(F)cc1O	757657145	MEYVAYHRCPUWDA-SJKOYZFVSA-N	422.298	3.531	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc(F)cc3C)CC2)cc(OC)c1OC	759931726	HNZUJLWURVBFFF-UHFFFAOYSA-N	403.454	3.514	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(CCCCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761050968	LTVMIPXEZQGCLY-IYBDPMFKSA-N	407.942	3.568	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(C)ccc3OC(F)F)CC2)cc(OC)c1OC	761218896	LIFUUWHSUOSVPB-UHFFFAOYSA-N	422.472	3.944	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CNc1ccccc1[N+](=O)[O-]	761752219	FQCXSFKRUCBGLH-UHFFFAOYSA-N	408.252	3.524	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCO[C@H](c2ccccc2)C1	762263240	KYSXCKHJARFFTA-HKUYNNGSSA-N	400.862	3.730	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1nc(SCc2ccccc2)ns1	762957329	NLRIGPUCWPOWOJ-UHFFFAOYSA-N	402.501	3.606	10	20	HHCD	
O=C(NCc1ccccc1Br)NCc1cccc(Br)c1O	764766170	GGOHKLLJDGPLNG-UHFFFAOYSA-N	414.097	3.917	10	20	HHCD	
CC(C)c1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)no1	765104755	XWAMBOHGDYTICY-SFHVURJKSA-N	416.522	3.860	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cc2c(cc1Cl)OCCO2	765233280	GQOZDLQEXIGEHM-UHFFFAOYSA-N	413.655	3.901	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H]3c3nncn3C)c2C)cc1	767762050	UPLCKFXSPBDXIX-OAQYLSRUSA-N	407.518	3.641	10	20	HHCD	
C[C@@H]1CC(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C[C@@H](C)O1	768054054	FIFGJHAEECAHQO-QYYZECACSA-N	424.613	3.802	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1	768055076	LMBLFHMUDKBNSQ-OAHLLOKOSA-N	406.523	3.690	10	20	HHCD	
COc1cccc(CN2CCN(Cc3ccc(Br)c(F)c3)CC2)c1O	769519596	TVTANABCOSPLPF-UHFFFAOYSA-N	409.299	3.620	10	20	HHCD	
O=C(c1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1)N1CCOCC1	770522664	SKEFMKULRSDOQU-UHFFFAOYSA-N	424.501	3.670	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@H](OC)c3ccc(F)cc3)CC2)cc1	770833048	UNRCVYNRZONJCX-JTSKRJEESA-N	415.509	3.832	10	20	HHCD	
CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NCc1ccc(N2CCCC2)cc1	772221527	LTHAYDWUIXNJBP-IBGZPJMESA-N	419.591	3.646	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2cnn(Cc3cccs3)c2n1	773740389	LPFFHVRQNVIFTD-CYBMUJFWSA-N	422.510	3.622	10	20	HHCD	
CC1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)CC1	773844175	CSUIUVZYPKBYOA-GOSISDBHSA-N	408.546	3.805	10	20	HHCD	
CC(C)NC1CCN(Cc2cc(Br)cc(Br)c2O)CC1	775669941	FRHIYDKLIRRYRG-UHFFFAOYSA-N	406.162	3.880	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1	779483097	BAHYNNRQLUMMCP-BENRWUELSA-N	423.490	3.865	10	20	HHCD	
COCC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccco1	780049472	XGUBMTZBYHCKDM-CRAIPNDOSA-N	423.460	3.927	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Br)cc3F)c2)CC1	781045232	FVIAIVDKQHQDCY-UHFFFAOYSA-N	420.282	3.509	10	20	HHCD	
C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1)c1ccc(N(C)C)cc1	789264721	DPRVVZUMVZZEDY-HNNXBMFYSA-N	407.522	3.909	10	20	HHCD	
O=C(CCOCC(F)(F)C(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1	790806957	BPLPHKCNVSPSMB-AWEZNQCLSA-N	411.367	3.504	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2c(O)ccc(Cl)c2F)CC1	792157277	QLMAELKJMQQPLT-UHFFFAOYSA-N	406.841	3.764	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(NC(=O)N(C)C)cc2)cc1F	792923569	QOXGOKWCWUNQDI-UHFFFAOYSA-N	415.513	3.765	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H]2CSc3ccc(Br)cc32)c(O)c1	793208414	ZRTYHRVOTFACNM-AWEZNQCLSA-N	409.305	3.810	10	20	HHCD	
C[C@@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1cc(F)cc(F)c1O	793573422	QXBRJDLRXZTMEX-IPQOISQHSA-N	415.440	3.746	10	20	HHCD	
Cc1cnn(C)c1S(=O)(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	795550413	VYZMXVVLVDSNRN-UHFFFAOYSA-N	402.423	3.672	10	20	HHCD	
CCOC(=O)c1ccccc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	799750091	VGLJNJRHTWOXNN-UHFFFAOYSA-N	416.543	3.674	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1	800912423	WHYFYPZVGNFNRG-SFHVURJKSA-N	404.555	3.587	10	20	HHCD	
CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CCC(F)(F)CC1	805839041	NFMLQFPAFOQYOZ-UHFFFAOYSA-N	412.436	3.910	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cc4c(cc3O)OCO4)CC2)C1	811517574	WODPINWZADIHNZ-INIZCTEOSA-N	404.507	3.590	10	20	HHCD	
COC(=O)N1CCN(c2ccc(NCc3ccc(N4CCCCC4)cc3)cn2)CC1	815157244	NOMKVFZQSCURFD-UHFFFAOYSA-N	409.534	3.572	10	20	HHCD	
Cc1cc(C(=O)N2CC(CN3CCN(C)CC3)C2)c(C)n1-c1cccc(C(C)C)c1	816751763	DBTIEWYVDINOKK-UHFFFAOYSA-N	408.590	3.537	10	20	HHCD	
CCC(CC)N(CCOC)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	916382792	PCFFVDOCCBARCO-UHFFFAOYSA-N	424.453	3.647	10	20	HHCD	
Cc1nn(-c2ccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc2)c(C)c1Cl	916617600	MSPXFVAUSMHZPF-UHFFFAOYSA-N	400.818	3.593	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(c2ccccc2)CCC1	918199621	LGTDISKSQHLNNQ-UHFFFAOYSA-N	407.558	3.816	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCc2nnnn2CC(F)(F)F)c1	1116779908	VHTVSRPFWYAHPI-UHFFFAOYSA-N	413.787	3.653	10	20	HHCD	
C[C@@H](CCNC(=O)NCc1ccc(N2CCCC2)cc1)N(C)C(=O)OC(C)(C)C	1318416139	KUSARVDRNHPMEO-KRWDZBQOSA-N	404.555	3.732	10	20	HHCD	
Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc2cncn12	1325149496	CRSUGJJCURRJJY-UHFFFAOYSA-N	400.429	3.643	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2c1ccn2CC(C)C	1339236428	JKOYYUDZXPWVSV-IBGZPJMESA-N	424.497	3.613	10	20	HHCD	
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	1652156372	DKLXPYLSZQVWOW-PGCDJPTGSA-N	406.598	3.890	10	20	HHCD	
COc1ccc(S[C@H](C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	110472661	INMZZBILTYSEPL-MRXNPFEDSA-N	400.544	3.970	10	20	HHCD	
CN(C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1CCCc2ccccc21	216473174	RVTNKPZVKHSVBK-FYYLOGMGSA-N	408.542	3.909	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3nc(Cl)ccc3Cl)cc2F)CC1	303277865	HUGZJUNSALCRAU-UHFFFAOYSA-N	411.308	3.599	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(F)cc2C(F)(F)F)n(C)c2ccccc12	472777119	SJMYRDAPDMMWFO-UHFFFAOYSA-N	407.367	3.900	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@@H](c3ccccc3C)C2)c1	725779543	PPYPFPABYANKQH-HXUWFJFHSA-N	408.542	3.725	10	20	HHCD	
COCCCOc1cccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c1	726196361	OHFWIMDOISPCFK-CYVLTUHYSA-N	414.552	3.941	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3csc(-c4cccnc4)n3)CC2)cc1	726560957	YMVZOPCJEBQNMC-UHFFFAOYSA-N	408.527	3.541	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)ccc21	728637350	KBZZLJURFQOQCA-HZPDHXFCSA-N	400.519	3.851	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3ccc4ccccc4c3)cc2F)CC1	730193140	DURHCGUKXOEWSS-UHFFFAOYSA-N	405.517	3.980	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3nnc(Cc4cccc(F)c4)s3)ccc21	730667328	VQBDRZQJYSUWDC-UHFFFAOYSA-N	411.506	3.972	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@@]3(O)CCCc4ccccc43)cc2)CC1	731364774	MYNQQEPABMGYQE-VWLOTQADSA-N	407.558	3.946	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@@H]2CCCO2)c(C)n1-c1cccc(Br)c1	734446252	UUGNPXCIBVUMRK-SFHVURJKSA-N	421.335	3.782	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1	741071304	RXLSHFZNGSOUJM-CQSZACIVSA-N	421.519	3.825	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743814364	FJTWFFAEVPVLTA-MRXNPFEDSA-N	405.445	3.765	10	20	HHCD	
O=C(Nc1ccccc1Cl)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743974770	HIYSTWLBHGIAEN-ZDUSSCGKSA-N	423.847	3.665	10	20	HHCD	
Cc1ccc(N(C)C(C)C)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	745121317	GQQLJHQWRJIUSD-UHFFFAOYSA-N	411.546	3.721	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1nc(-c2cccs2)cs1	746803945	IHYZHGFVNJYJGP-UHFFFAOYSA-N	410.524	3.503	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cn(CC(C)C)cn2)n1	748637937	TZMGLWBBDIUOHZ-UHFFFAOYSA-N	406.533	3.780	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])cc1	749133029	QFZDJFBHVYLIRE-UHFFFAOYSA-N	424.320	3.832	10	20	HHCD	
COc1cc(-c2noc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)n2)ccc1C	749295288	CGPFDOGVWATBPI-IBGZPJMESA-N	409.486	3.940	10	20	HHCD	
COCC(=O)Nc1cccc(CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)c1	749565794	KELJEPOYAZONSN-UHFFFAOYSA-N	405.498	3.917	10	20	HHCD	
COc1ccc(N2CCN(CCC(=O)Nc3ccccc3SC)CC2)cc1F	753856632	DCPGKEOSQGQAIG-UHFFFAOYSA-N	403.523	3.707	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN[C@H](C)c3oc4ccccc4c3C)CC2)cc1	754632180	OOZMEOUTCSNZNW-GOSISDBHSA-N	407.514	3.749	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC(C4(C)OCCO4)CC3)cc2)CC1	756692348	UFGHFPUBCPSHBR-UHFFFAOYSA-N	401.551	3.608	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NCCCSc2nccs2)c1	758607897	SBIPZZOQAQTUSL-UHFFFAOYSA-N	414.578	3.599	10	20	HHCD	
COc1cc(N2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc(OC)c1OC	759878207	IVXRWKNRXWHXAT-INIZCTEOSA-N	415.490	3.812	10	20	HHCD	
C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	760308692	ZKSBMXZINFLTRC-INIZCTEOSA-N	410.518	3.860	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)c1	761789672	HMYOTKDBTKKXMN-MIVHDCIWSA-N	411.546	3.918	10	20	HHCD	
O=C(NCCOc1ncc(Cl)cc1Cl)NCc1ccc(N2CCCC2)cc1	762003431	JEBRPFLJQWNSRA-UHFFFAOYSA-N	409.317	3.867	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(N2CCCC2=O)cc1	765285028	AQEQMMHIKGTYDW-QGZVFWFLSA-N	411.521	3.764	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3cccc(OCC(F)(F)F)c3)CC2)cc1	770175655	TXFLQQIEIGMZFW-UHFFFAOYSA-N	422.447	3.964	10	20	HHCD	
Cc1[nH]ccc(=NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1Cl	771767661	DARFYRCJJKYDND-STQMWFEESA-N	406.889	3.540	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1	773748223	IBJZUDPUMCOVPJ-SNVBAGLBSA-N	407.348	3.528	10	20	HHCD	
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)c(Cl)cc1O	774350017	QHTKJLCPNUPXOD-KUHUBIRLSA-N	423.340	3.820	10	20	HHCD	
C[C@H](NC(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1	775616039	OJGHJTCEPHKMSI-HNNXBMFYSA-N	418.563	3.712	10	20	HHCD	
O=C(c1ccc(-c2cncnc2)cc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1	775886895	JUMRZCZQHNAUNO-IBGZPJMESA-N	407.445	3.810	10	20	HHCD	
C[C@@H](NC(=O)CCn1c(S)nnc1-c1cccs1)c1ccc(N(C)C)cc1	776270831	VXQDKNLBNKTJHW-CYBMUJFWSA-N	401.561	3.629	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@]23CCOC3=O)c(C)n1-c1ccc(OC(F)F)cc1	778244885	LGKGMIWJRHYJLY-QFIPXVFZSA-N	418.440	3.660	10	20	HHCD	
CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1	778750743	CJDSQIQYCFHMKM-XMSQKQJNSA-N	421.557	3.570	10	20	HHCD	
CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779527071	CHWDNHVKGFDJSW-VQHVLOKHSA-N	416.518	3.749	10	20	HHCD	
COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	786727687	DITDDDCEQJJOPO-JTQLQIEISA-N	406.287	3.914	10	20	HHCD	
CCOC(=O)[C@](C)(CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1	787260249	GPDILSYJLRUFTA-XMMPIXPASA-N	409.530	3.607	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1	787545010	USNGXELTGMFJAP-ZISLFAKRSA-N	417.461	3.754	10	20	HHCD	
CCN(CC)CCCN(CC)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	788313169	HSFZWLJJOSYPBY-OALUTQOASA-N	422.589	3.703	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1=O	789594972	OOBHYPTUPLUVEU-QFIPXVFZSA-N	422.529	3.818	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1	793524564	HQCSQZBZMOZGBC-JOCHJYFZSA-N	411.521	3.898	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)cnc1C	794017965	DDWPEYKOCIARDF-UHFFFAOYSA-N	421.475	3.548	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1	795072834	LZNILTLJCVLCMP-UHFFFAOYSA-N	412.914	3.530	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@]2(CCCOC2)O1	796532043	RYZKLABALHHNPE-CYFREDJKSA-N	415.578	3.935	10	20	HHCD	
C[C@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(N2CCOCC2)cc1Cl	797038213	CGCSGBDXLDSGPG-ROUUACIJSA-N	420.985	3.507	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(OC(F)F)c(F)c1	797737421	ACNMZNIEKIAXTH-UHFFFAOYSA-N	418.755	3.905	10	20	HHCD	
CCOc1ccc(CNc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c(O)c1	800310579	BIINXFIOINYYFU-UHFFFAOYSA-N	410.518	3.584	10	20	HHCD	
CSCC[C@H]1NC(=S)N(Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1=O	800722495	XVJBMWIOTVTZLX-XJKSGUPXSA-N	412.024	3.915	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)nc1C	802609376	ZMWSOZHBIMAJQY-UHFFFAOYSA-N	420.307	3.626	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)c1ccc(C(F)(F)F)cc1	804967292	MFWPXJBZGVQLTR-IBGZPJMESA-N	407.436	3.838	10	20	HHCD	
Cc1cccc(CN(CC(C)C)C(=O)C(=O)NCCCSc2nccs2)c1	806276090	HBLVFBUJOAIALA-UHFFFAOYSA-N	405.589	3.735	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)CCOCc1ccccc1)c1ccc(N2CCOCC2)cc1	806542694	WFEKPALPVURYCZ-UXHICEINSA-N	411.546	3.879	10	20	HHCD	
O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1cc(Cl)cc(Cl)c1O	807841361	YQALBHKENIWMGM-UHFFFAOYSA-N	414.201	3.764	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(C(F)(F)F)cc1O	810209461	DTSRBNCFYLQNOQ-GOSISDBHSA-N	408.468	3.799	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1	815638031	MFICATPDMYPCHB-UHFFFAOYSA-N	423.513	3.675	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccc(Br)cc1	816574345	FAWKZMSKVRROOD-HNNXBMFYSA-N	402.647	3.951	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@H](CS(C)(=O)=O)C2)cc1	816996295	LNSIASMEPQEFIU-INIZCTEOSA-N	414.531	3.675	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccccc2S(=O)(=O)C(C)C)cc1	915140656	LIBLRAKFIIQEHV-UHFFFAOYSA-N	402.560	3.987	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)cc1	915146376	SQPXOORCMWPAIM-UHFFFAOYSA-N	405.458	3.651	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(CNC(C)=O)s3)n2)cc1	917219149	ZMCWNDZFDCAOEV-UHFFFAOYSA-N	421.569	3.871	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@H](C)c3ccc(C)cc3)CC2)cc1	918196517	CQEBDNGJLHEVAT-HXUWFJFHSA-N	410.562	3.576	10	20	HHCD	
CCCCN(C)CC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	918213237	KQFISUKLHHDZKB-UHFFFAOYSA-N	418.651	3.893	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	918224662	STOPVNZOQOJDQO-UHFFFAOYSA-N	414.525	3.508	10	20	HHCD	
Cc1noc(C)c1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	920279349	WDUVCXSDVLVUCE-DHDCSXOGSA-N	421.569	3.651	10	20	HHCD	
C[C@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccc(N2CCOCC2)cc1	920888637	UQZFYAFLYVGTBG-IBGZPJMESA-N	417.509	3.988	10	20	HHCD	
c1ccc(CN2CC[C@H](N3CCN(Cc4ccc(N5CCCC5)cc4)CC3)C2)cc1	1117583659	WALMMNKUDCEYQM-SANMLTNESA-N	404.602	3.679	10	20	HHCD	
Cc1cccc(CN2CCCC[C@H]2C(=O)NCc2ccc(N3CCOCC3)cc2)c1	1318368383	ISJMEPBUVWINBT-DEOSSOPVSA-N	407.558	3.503	10	20	HHCD	
Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1ccc(Br)cc1	6477124	XHOBHZDULMNSFI-UHFFFAOYSA-N	406.309	3.532	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cn3c(CSC)nc4ccccc43)CC2)cc1	110359993	BUTCRXIJDYYOPD-UHFFFAOYSA-N	424.570	3.693	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(N2CCCC2)cc1	302832756	IXPXCCBVVHOOTI-JOCHJYFZSA-N	409.530	3.612	10	20	HHCD	
Cc1c(CNC(=O)CSc2nnc(C)n2Cc2ccccc2)n(C)c2ccccc12	473282689	NSHTXSPXSPTFPE-UHFFFAOYSA-N	419.554	3.843	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)cc1	516873331	OZEQANNDRQEQLN-INIZCTEOSA-N	413.543	3.841	10	20	HHCD	
O=C(NCCOc1cccc(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726614528	RQHNAIKIZFWJBA-UHFFFAOYSA-N	423.435	3.774	10	20	HHCD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	727724206	AKAKGBLFAFPLBF-QHCPKHFHSA-N	419.566	3.565	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1	728944135	MVXPIBBHQYYARU-IIBYNOLFSA-N	415.534	3.853	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2)c1	729061317	APHHBJDSNGSCSL-MRXNPFEDSA-N	420.465	3.796	10	20	HHCD	
Cc1cc(CC(=O)N[C@H](C)[C@H](C)N2CCOCC2)c(C)n1-c1ccc(Cl)cc1	729447281	VTCNCNMQYSPUKS-SJORKVTESA-N	403.954	3.515	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(I)c(F)c2)c1	729536209	XGTMZSHHXNTAIW-SECBINFHSA-N	415.202	3.636	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1O	729580182	YOMDKDOBYNOKAC-UHFFFAOYSA-N	405.882	3.856	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731119349	JKJDXWGNKNLIOT-UHFFFAOYSA-N	422.573	3.771	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1	731687102	XCRLADCIQFWDDY-UHFFFAOYSA-N	400.479	3.661	10	20	HHCD	
Cc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1	732885352	AHCVOQQMUORKLG-NFBKMPQASA-N	420.557	3.647	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1	734406153	NHXWFPDIWJDOFW-OAHLLOKOSA-N	403.523	3.577	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC2)cc1	735753420	RVSZPFIGLLWIHK-UHFFFAOYSA-N	424.545	3.968	10	20	HHCD	
COc1ccc(C[C@H]2CCCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)cc1	741797783	ALGZVRBLGZSASY-JOCHJYFZSA-N	409.574	3.674	10	20	HHCD	
O=C(NCc1cccnc1OCC(F)(F)F)NCc1c(O)ccc2c1CCCC2	743533776	NQVPRCKPDNCRNN-UHFFFAOYSA-N	409.408	3.607	10	20	HHCD	
CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc(N2CC=CC2)cc1	743623147	GSSHLYWLBYNZKT-HSZRJFAPSA-N	404.558	3.726	10	20	HHCD	
C[C@@H]1CC[C@@H](CCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)O1	743725076	BZMMYXWGLYMMPM-UXPWSPDFSA-N	419.566	3.782	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C12CCC2	745649863	ZSNNBLOXYVIXEI-SNHGZMDHSA-N	419.541	3.586	10	20	HHCD	
COc1cccc(CNC(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)c1O	745802444	YENUYYOMNPXIPS-UHFFFAOYSA-N	420.465	3.757	10	20	HHCD	
CC(C)C[C@@H](CCO)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745902929	BFXGJQCKQMFHCR-SJORKVTESA-N	413.509	3.601	10	20	HHCD	
CCCN(Cc1cc(O)n2ncc(C(=O)OCC)c2n1)[C@@H](C)c1ccccc1OC	746145881	URPRHRBTHJDMEW-HNNXBMFYSA-N	412.490	3.593	10	20	HHCD	
CCCCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1(C)C	748959196	JLFVFCFDAQNOLI-YADHBBJMSA-N	417.594	3.678	10	20	HHCD	
C/C(=C\C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1	749920690	YNWQDJXKGSVOSY-APEZIOSESA-N	411.933	3.761	10	20	HHCD	
CN(Cc1ccsc1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751058667	IURWVLYSYPBLTM-UHFFFAOYSA-N	408.526	3.588	10	20	HHCD	
C[C@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)c(F)cc1O	756459950	QKEBTASFVDWXNG-AAEUAGOBSA-N	400.263	3.935	10	20	HHCD	
Cc1ccc([C@H](C)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)c1C	756687391	MBJDZLGSAQBPPD-SFHVURJKSA-N	402.560	3.761	10	20	HHCD	
COc1ccc(N(C)Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1F	757858163	ZGNFINBRSBJBSK-UHFFFAOYSA-N	400.479	3.561	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccccc3-c3cnn(C)c3)CC2)cc1	758930157	MLEORMIMAICUBN-UHFFFAOYSA-N	419.529	3.564	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(Cl)cc4c3OCC4)CC2)cc(OC)c1OC	759872055	GUXLHTVJCSYMIA-UHFFFAOYSA-N	418.921	3.623	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCC1(CN(C)C)CCCC1	760174936	IYEVDYUFILPBIQ-UHFFFAOYSA-N	412.372	3.808	10	20	HHCD	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NCCc1ccc(O)c(O)c1	761631534	UVVGQNJDSRPCHR-MRXNPFEDSA-N	411.502	3.785	10	20	HHCD	
Oc1cc2c(cc1CN1CC=C(c3cccc(Br)c3)CC1)[C@@H](O)CO2	762460545	AIDAFOBMWSJZHL-IBGZPJMESA-N	402.288	3.870	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](CCO)C3CCCCC3)cc2F)C[C@@H](C)O1	766880401	ZXRYRMHACOYBJS-FVJLSDCUSA-N	421.557	3.570	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)CC1	767390489	PNCXNNLAHDKECL-UHFFFAOYSA-N	419.485	3.926	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2cc(F)c(F)cc2F)cc1	769151936	DOCYGUAUYQIVQS-GOSISDBHSA-N	406.448	3.920	10	20	HHCD	
COCCOc1ccccc1N1CCN(Cc2cccc(Br)c2O)CC1	769519266	NZVGVLOPCOWSCQ-UHFFFAOYSA-N	421.335	3.502	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c1	769794101	PBPFHIAGBSMYTG-UHFFFAOYSA-N	424.469	3.627	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ncccc3C(F)(F)F)cc2F)C[C@@H](C)O1	770674356	GQAZZJLPZQYZPQ-CHWSQXEVSA-N	411.399	3.783	10	20	HHCD	
Cc1cc(CC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c(C)n1-c1ccc(Cl)cc1	770915023	QVZXDLZCVAJHLJ-KNQAVFIVSA-N	402.922	3.744	10	20	HHCD	
CC(C)Oc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)cc1	773231996	JNGGAYNHCQERFA-UHFFFAOYSA-N	414.531	3.585	10	20	HHCD	
CC(C)N1C(=O)C[C@H](C(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1	776473277	IDFMIMUMAUXGLU-MGPUTAFESA-N	404.869	3.799	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1	778620879	QYOJXLNLKCBVES-NZQKXSOJSA-N	406.574	3.997	10	20	HHCD	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	779023542	SZUAGLXJBIEZPW-JXFKEZNVSA-N	421.557	3.522	10	20	HHCD	
O=C(NCCCCC(=O)OCc1ccccc1)NCc1c(O)ccc2c1CCCC2	781853269	DNBCBSUXQGJQAV-UHFFFAOYSA-N	410.514	3.984	10	20	HHCD	
Cc1cc(F)cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	782423988	UJQFSYVTJBVASD-UHFFFAOYSA-N	409.461	3.961	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1C	785641825	BOECMGUAIURMBW-DEOSSOPVSA-N	416.481	3.515	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1	788931086	DREMHTOSRXYCRG-WIJYMUHASA-N	403.526	3.607	10	20	HHCD	
CCC[C@@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)sc2C1	789743014	BZAYBIUJJCMZII-LSDHHAIUSA-N	414.575	3.930	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)c1ccc(N(C)C)cc1	789743961	LZNQMJNJFLHRHI-ILXVDBEPSA-N	412.559	3.929	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)c(O)c1	793018039	UUYJRAAGRNOTTQ-NSHDSACASA-N	411.271	3.733	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1	797632269	FFSZOGUGNFIQFI-CQSZACIVSA-N	421.453	3.742	10	20	HHCD	
Fc1cc(CNCc2c(F)ccc(Br)c2F)ccc1N1CCOCC1	800222965	MXDDJAHHFBBJCV-UHFFFAOYSA-N	415.253	3.993	10	20	HHCD	
Oc1ccc(Br)cc1CNC[C@@H](O)c1cccc(Br)c1	801734457	BWVQKDAVAHNSDL-OAHLLOKOSA-N	401.098	3.740	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)COCc3nnc(C)s3)c2C)c1	803725833	WIYIFWKEDMAHKI-UHFFFAOYSA-N	413.499	3.505	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C(C)(C)c1ccccc1	804121366	XJXFQZCAVNEZPZ-LJQANCHMSA-N	409.574	3.972	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1	804750892	NMIGXWHZIZGXRV-BTZGUFSASA-N	407.388	3.648	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)[C@H](C)c3ccccc3)cc2)CC1	805025869	XGAKABIPJMRGEM-VQTJNVASSA-N	407.558	3.848	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(F)c(N3CCOCC3)cc2F)cc1	806741714	NSAWGATUXUBION-UHFFFAOYSA-N	418.488	3.969	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1	807512899	NUIDZVDVIPLYAD-UHFFFAOYSA-N	404.253	3.949	10	20	HHCD	
COc1cc(O)c(CN2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1OC	809746627	VXTHLCBMHLBBNN-ZDUSSCGKSA-N	404.894	3.645	10	20	HHCD	
COC(=O)c1c(F)ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1F	810335369	QMXAZAXQTPSBFG-UHFFFAOYSA-N	419.428	3.551	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)c1	810362382	SNGSLHAQNCKIFV-HNNXBMFYSA-N	422.485	3.526	10	20	HHCD	
Cc1cc(CC(=O)NC[C@@H](CO)Cc2ccco2)c(C)n1-c1ccc(Cl)cc1	914537460	JRMRAVHEZMURCD-KRWDZBQOSA-N	400.906	3.850	10	20	HHCD	
O=C(c1ccc(OC[C@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	917364990	URTJJEBRZKXZHL-FGZHOGPDSA-N	411.498	3.771	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1	917383262	AALDOTQPSRQQEF-HSZRJFAPSA-N	421.566	3.820	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCOc3ccc(Cl)cc3)CC2)cc1	918000188	XUDOIUUORAWRAA-UHFFFAOYSA-N	403.910	3.649	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(COc3ccccc3)c2)c1	919819278	JRHWXAKDKQPGRF-UHFFFAOYSA-N	412.467	3.595	10	20	HHCD	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920873359	XTKVHQXRTOUNAM-GOSISDBHSA-N	424.545	3.853	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1	920921340	BTIBSZYJWOANAZ-YKSBVNFPSA-N	423.557	3.975	10	20	HHCD	
O=S(=O)(c1ccc(NNC(=S)Nc2cccc(F)c2F)cc1)C(F)(F)F	1116363091	BDFNLMOSUHBGPH-UHFFFAOYSA-N	411.377	3.572	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCC1CCOCC1	1318486804	AGMUJSRAYSDTLP-SSZFMOIBSA-N	424.613	3.662	10	20	HHCD	
Cc1ccn2c(=O)c(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cnc2c1	302946197	BUNUVCBKBYISLI-UHFFFAOYSA-N	404.514	3.702	10	20	HHCD	
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CC2	303853509	DZGGHRPCQWFGTH-UHFFFAOYSA-N	423.538	3.595	10	20	HHCD	
O=C(Nc1ccc(-c2nc([C@H]3CCOc4ccccc43)no2)cc1)C1=S=CC=C1	546401974	ZDJOTFIQVHFNJQ-KRWDZBQOSA-N	403.463	3.867	10	20	HHCD	
O=C(NCCCOC1CCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726614002	OFRUDNSCDHDMRH-UHFFFAOYSA-N	411.493	3.905	10	20	HHCD	
CN(C)c1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1F	728833872	MAWHQPPHSLWYED-UHFFFAOYSA-N	420.488	3.636	10	20	HHCD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728837396	RRXQVYJCZSYGFQ-QAPCUYQASA-N	402.457	3.618	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1	729049221	IFMJFUJRYVHDSD-KBPBESRZSA-N	412.490	3.806	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1F	731346594	YBTSBNRFYONERZ-INIZCTEOSA-N	401.482	3.603	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)c(C)n1-c1ccccn1	731645110	NCSUWOFESCDIOA-OAQYLSRUSA-N	403.482	3.837	10	20	HHCD	
Cc1ccc2cccc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2n1	734063216	GGDUHOQBTVUBJE-IBGZPJMESA-N	417.513	3.567	10	20	HHCD	
CNC(=O)COc1ccc(OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1	734148089	USIMKJCGBLIVOJ-UHFFFAOYSA-N	406.482	3.789	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)ccc21	734391011	UXQDJMMOIRHHBH-DENIHFKCSA-N	411.933	3.558	10	20	HHCD	
Cc1ccnc(-c2cccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)n1	734655314	GNCQCJJWVCOTRW-UHFFFAOYSA-N	421.476	3.749	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	734688467	OCYALZFEDJSLBE-SFHVURJKSA-N	418.582	3.850	10	20	HHCD	
C[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccsc1	738826102	LDDGGGDUJKGPDW-CYBMUJFWSA-N	419.458	3.809	10	20	HHCD	
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NCc1ccc(N2CCSCC2)cc1	740750346	PFNBYWPODITGCG-FQEVSTJZSA-N	423.504	3.749	10	20	HHCD	
Cc1cc(=O)oc2cc(OCCN(Cc3ccccc3O)C[C@@H]3CCCO3)ccc12	740878030	RCVCKAPSRVVXBI-FQEVSTJZSA-N	409.482	3.867	10	20	HHCD	
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	740919623	DJARXZXCXNWBQK-OAQYLSRUSA-N	408.521	3.979	10	20	HHCD	
Cc1nc(COc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)no1	742475905	FGPYLNHQAGJVHM-UHFFFAOYSA-N	406.486	3.877	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCCCO2	742805578	MCTQYOSVHMYKNF-INIZCTEOSA-N	418.440	3.848	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H]3c3ccccc3C)CC2)cc1	742940713	WMBSYQZCOVRVEU-DEOSSOPVSA-N	422.573	3.672	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCO3)cc1)C1CCCCC1	743414869	ZGNHODLBTARROA-UHFFFAOYSA-N	407.514	3.645	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccncc2Cl)NC(=O)OC(C)(C)C)cc1	744612035	ZNYAAKXDNXIRQJ-SFHVURJKSA-N	418.925	3.797	10	20	HHCD	
CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	747769833	XOWXLPQXAUUZIX-IBGZPJMESA-N	411.546	3.871	10	20	HHCD	
CCn1cnnc1-c1ccccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	750598220	KXWXYVFJWNYCQV-SFHVURJKSA-N	421.501	3.884	10	20	HHCD	
COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	751020743	KQHLEQVYGAEOPP-UHFFFAOYSA-N	424.950	3.792	10	20	HHCD	
COc1ccc(N2CCN(Cc3ccn(-c4ccc(F)cc4F)n3)CC2)cc1F	753738530	LEVVLYWIKUSHHJ-UHFFFAOYSA-N	402.420	3.620	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	754154897	DIRYOTROCRJDHO-OCCSQVGLSA-N	417.465	3.745	10	20	HHCD	
CC(C)CNC(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1Cl	755013284	OMXVNKUATKGFKC-UHFFFAOYSA-N	405.882	3.501	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cc(F)cc(F)c2O)s1	756482808	ISTJOQQDDHJCQN-LLVKDONJSA-N	404.504	3.613	10	20	HHCD	
C[C@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cc2c(cc1O)CCCC2	756535707	OLHRKZFNZIXSDW-CVEARBPZSA-N	402.560	3.933	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1cc2c(cc1O)CCCC2	756734072	UNUDKFHXOCOTRM-LJQANCHMSA-N	421.585	3.947	10	20	HHCD	
C[C@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1ccc(Br)cc1O	756890308	BMUPPOGOAGGHFB-NSHDSACASA-N	404.264	3.726	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(-c3ccccc3)c2Br)c1	760250242	CSTNUXUDRLUSAA-GFCCVEGCSA-N	416.275	3.840	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](C)[S@](=O)CC2)c(C)n1-c1ccc(Br)cc1	760659993	POARNPHSYBQAEX-DLUDVSRJSA-N	423.376	3.840	10	20	HHCD	
COC(=O)CN(Cc1nc(O)c2c(C)c(C)sc2n1)Cc1cc(Cl)ccc1O	760856683	LCIPZDHRKRAQRH-UHFFFAOYSA-N	421.906	3.548	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	764322079	IBTOFCYAFCZRTJ-HZPDHXFCSA-N	406.523	3.690	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)c(F)c1	765331380	RWGVGYAUCKRASY-MOPGFXCFSA-N	413.537	3.911	10	20	HHCD	
C[C@H](NC[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	765699804	FXPZGPVMHVPLHS-UNMCSNQZSA-N	411.565	3.878	10	20	HHCD	
O=C(Nc1ccc(O)cc1)C1CCN(Cc2cccc(Br)c2O)CC1	769232657	KIPWYDXOQWVZJO-UHFFFAOYSA-N	405.292	3.711	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(Br)cc1-n1cncn1)c1ccc(N(C)C)cc1	773026430	RDFJYCAVQBGSNN-CYBMUJFWSA-N	414.307	3.587	10	20	HHCD	
C[C@H](NC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C)c1ccc(N(C)C)cc1	773611616	PYRJVEKQJSCRAU-IXDOHACOSA-N	404.555	3.758	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCCc3cccc(Cl)c3)cc2)CC1	775130156	QAWVPBBNJNVMAJ-UHFFFAOYSA-N	413.949	3.551	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cn1	776744468	UXVIUUBAVVNGKX-UHFFFAOYSA-N	400.485	3.686	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)c2ccncn2)c(C)n1-c1ccc(OC(F)F)cc1	778452858	XBABIEOMSROADE-AWEZNQCLSA-N	415.396	3.914	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1	779351621	MSECIPUAGOFQGA-UHFFFAOYSA-N	424.526	3.875	10	20	HHCD	
C[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCCOC1	780117329	HMAWAWPLWRJLBN-XFPDNBNNSA-N	424.613	3.661	10	20	HHCD	
CC[C@@H]1C[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1	780590884	WFCKZVAOGUYGAW-SXLOBPIMSA-N	419.566	3.640	10	20	HHCD	
Cc1c([C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C(C)C)oc2ccccc12	785423649	FFAQBGMIVWOWFH-NRFANRHFSA-N	407.514	3.937	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(N2CCOCC2)c(F)c1	785568902	RMZKOQYZFPTYCW-UTKZUKDTSA-N	403.542	3.637	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccc(C(C)C)cc3)cc2)CC1	786260028	UULIEQOZRQCWAJ-UHFFFAOYSA-N	407.558	3.728	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2cccc(OC(C)C)c2)cc1	786827136	NRDLURULHVZURR-UHFFFAOYSA-N	411.546	3.595	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)CCCC(N)=O)n2)c(C)n1-c1ccc(F)cc1	787865591	SYXYGVIKDARFGK-UHFFFAOYSA-N	400.479	3.951	10	20	HHCD	
Cc1ccc(CCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Cl	792756952	XOSNNCKMMPCTME-UHFFFAOYSA-N	402.922	3.849	10	20	HHCD	
C[C@H](CCc1ccc(F)cc1F)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	796703869	YROWVGJLKMRXMN-VQIMIIECSA-N	401.501	3.777	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCOC4(CCOCC4)C3)cc2Cl)C1	799995581	OUDBEWQUDNTPJN-QGZVFWFLSA-N	421.969	3.667	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC(N2CCc3ccccc32)CC1	800713276	YGMZWSDVZDMSBT-UHFFFAOYSA-N	402.589	3.862	10	20	HHCD	
CCCCN(Cc1ccccc1O)Cc1nnc2n(CC)c(=O)c3ccccc3n12	801597660	LRTQZJFRDVMHCT-UHFFFAOYSA-N	405.502	3.572	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c(N2CCOCC2)c1	805190599	IAVZWEQPMOLDTO-UHFFFAOYSA-N	424.328	3.843	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H]1CCO[C@H](C(F)(F)F)C1	806132701	YUYHRIDLLXSNAU-BBRMVZONSA-N	412.374	3.742	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@@H]1CCc2ccccc2C1	807119213	OQAYDROIMWPWEF-OAQYLSRUSA-N	419.569	3.557	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@@H](c3ccccc3)N(C)C)CC2)cc1	807402990	RAOGVLXXMZJZQD-XXBNENTESA-N	410.562	3.608	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(Cl)c(C)c2)cc1	807579534	UGQXMJOMRMAWMO-UHFFFAOYSA-N	401.938	3.769	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C)C(C3CC3)C3CC3)cc2Cl)C1	807954145	KDKZCPGXHPMMDL-HNNXBMFYSA-N	417.981	3.840	10	20	HHCD	
COC(=O)c1ccc(C(F)(F)F)nc1NCc1ccc(N2CCC(CO)CC2)cc1	809348919	KHOWULPKQVSKKP-UHFFFAOYSA-N	423.435	3.708	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)c3cccc(Br)c3)CC2)cc1	812446321	YJCAZCXILVSFFP-HNNXBMFYSA-N	403.320	3.910	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)c(Br)c1O	814185412	GJEHVPYWAVGSFC-XFFZJAGNSA-N	400.319	3.917	10	20	HHCD	
Cc1sc(NC(=O)C2=NN(C)C(=O)CC2)c(C(=O)OC(C)C)c1-c1ccccc1	913193404	MNZYRGKQYDMPSJ-UHFFFAOYSA-N	413.499	3.835	10	20	HHCD	
Cc1nc(C)c2c(C)c(CNCc3ccc(N4CCOCC4)c(F)c3)sc2n1	916837149	YUXKLVTYADCVGJ-UHFFFAOYSA-N	400.523	3.882	10	20	HHCD	
CC(C)c1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	917595742	JHKRLUZMMYISQP-LJQANCHMSA-N	410.587	3.998	10	20	HHCD	
Cc1cccc(OCCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	917998592	LVEQTTMSRIWXNB-QZTJIDSGSA-N	415.509	3.626	10	20	HHCD	
C[C@H]1CCCN(C(C)(C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1	919796662	IRGAKKCBQFDNOK-SFHVURJKSA-N	404.624	3.550	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(CN2CCCCC2)cc1	919968580	IRIKRXOIOIKXKN-UHFFFAOYSA-N	421.585	3.811	10	20	HHCD	
Cn1nc2ccccc2c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1320367727	ROKMFAHXZPYVJC-UHFFFAOYSA-N	400.429	3.574	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CC(=O)N(C)c3ccccc32)cc1	1326379236	FFUCQGYKPGXVTH-SFHVURJKSA-N	419.447	3.794	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)CCC2CCCC2)C1	1842599315	YVYGXJMKUGAPOD-UHFFFAOYSA-N	406.910	3.539	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccns2)C3)cc1	1845398176	IDODXCMPFXIOON-UHFFFAOYSA-N	420.538	3.681	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1	27438233	PEILSGGXVXMAPG-UHFFFAOYSA-N	401.923	3.600	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(N2CCNC2=O)c1	47893851	ALCZTWHSDOKLCX-UHFFFAOYSA-N	407.518	3.870	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)COc3ccc(C(F)(F)F)cc3)CC2)cc1	108427248	OZUFRIPKDSAMHT-UHFFFAOYSA-N	408.420	3.832	10	20	HHCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1cc2ccccc2nc1N1CCOCC1	208204687	KLCUYADLUZPNFL-CYVLTUHYSA-N	408.527	3.528	10	20	HHCD	
OCC1CCN(c2ccc(CNc3cc(-c4ccccc4)nc4ncnn34)cc2)CC1	301107393	TXFKRHRIXIWVNG-UHFFFAOYSA-N	414.513	3.612	10	20	HHCD	
COc1ccc(N2CCC(Nc3nc4ccccc4nc3N3CCOCC3)CC2)cc1	301720041	MGRAKDSJFIOBAX-UHFFFAOYSA-N	419.529	3.556	10	20	HHCD	
Cc1c(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)n(C)c2ccccc12	472035760	UXFAGQCLORWMOF-GOSISDBHSA-N	405.546	3.907	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cccc3c2OCCO3)n1	727249870	FSISXDXHXIIYIE-UHFFFAOYSA-N	422.459	3.530	10	20	HHCD	
CCN(C(=O)/C=C/c1cncc(F)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1	729652892	LUZATZBMCRMTEM-FPYGCLRLSA-N	402.369	3.581	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccc(Cl)cc3OC)CC2)cc1	730827437	FNGBWVAKNZDZAD-UHFFFAOYSA-N	403.910	3.779	10	20	HHCD	
CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	733039864	ULLSKYQYHVQZAB-FYYLOGMGSA-N	422.573	3.927	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1	734522643	RVPUBPMBMTXWFZ-WOJBJXKFSA-N	424.589	3.670	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)c2)CC1	739599519	SMLBFEUUBYINHS-UHFFFAOYSA-N	405.498	3.824	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(CCC(=O)N2CCCC2)cc1	741064074	WZARBUFAOKCTNL-UHFFFAOYSA-N	418.541	3.940	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cccnc2)NC(=O)OC(C)(C)C)cc1	742752169	ZHVNZIWBEDXRGV-LOJRPPCJSA-N	410.518	3.543	10	20	HHCD	
C[S@](=O)c1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743150701	GSKQLCVDSWNVCC-WNNBVUDTSA-N	423.485	3.816	10	20	HHCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1Cc1ccccc1	743622979	CGWIHGCRZBIHGF-OAQYLSRUSA-N	404.558	3.869	10	20	HHCD	
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)n1	745788231	HRBDWOOMPJXMKR-INIZCTEOSA-N	415.538	3.527	10	20	HHCD	
COc1ccccc1[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)N1CCCC1	746979446	KOSKBHMILQJRHP-OAQYLSRUSA-N	414.525	3.537	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H](CO)Cc1ccccc1	749665029	NUGVMYLCQODMMP-NRFANRHFSA-N	402.454	3.760	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)cc1	749931803	MVSUZRZHQXPTBY-FQEVSTJZSA-N	410.562	3.867	10	20	HHCD	
COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccc(Br)cc1	750826938	ZBDJGSZJCMKZMF-MRXNPFEDSA-N	410.239	3.500	10	20	HHCD	
O=C(CCCNC(=O)c1ccc(F)cc1)Nc1c(-c2ccccn2)nc2ccccn12	751300621	ZAIGWWCVWWYXFY-UHFFFAOYSA-N	417.444	3.684	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NCc2ccc(N3CCCC3)cc2)C1	751601551	IBGZPBIJYDYUEA-QHCPKHFHSA-N	401.551	3.940	10	20	HHCD	
CC[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(OC)cc1	751663397	CBFUXMHHUQJIMN-TZIWHRDSSA-N	423.557	3.597	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cc(Cl)cc4c3OCC4)CC2)cc1	754269943	OIAQSVFVFSRBSF-UHFFFAOYSA-N	415.921	3.752	10	20	HHCD	
Cc1ccnc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1	756165083	TXQFKLYHMPGIAE-GXDHUFHOSA-N	419.553	3.571	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@H](C)C3CCCCC3)CC2)cc(OC)c1OC	759219550	CPHQBMBKKQAFBF-KRWDZBQOSA-N	404.551	3.968	10	20	HHCD	
CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	760317595	JYSCUVBCJZPOFH-UHFFFAOYSA-N	422.572	3.517	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CC(C)(C)OC2=O)c(C)n1-c1ccc(Br)cc1	762037656	HEXNOIROJURTHX-INIZCTEOSA-N	405.292	3.681	10	20	HHCD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	764852310	JKPBUVZKYAMOSU-DDOIHHOZSA-N	414.521	3.529	10	20	HHCD	
COc1ccc2[nH]cc(CCNC(=O)NCc3cccc(Br)c3O)c2c1	765495913	AXMZNRLBRSJXAI-UHFFFAOYSA-N	418.291	3.687	10	20	HHCD	
C[C@H](NC1CCN(CCC(=O)N(C)C)CC1)c1ccc(N2CCCCCC2)cc1	765885651	NICBAUXEKCAYBU-FQEVSTJZSA-N	400.611	3.660	10	20	HHCD	
COc1ccc(C(=O)N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cc1OC	768237272	MJXRQBZFGIODPI-UHFFFAOYSA-N	423.557	3.652	10	20	HHCD	
O=C1OCCN1c1cccc2c1CCN(Cc1cccc(Br)c1O)C2	769502757	OXMGYNRMMFJEIY-UHFFFAOYSA-N	403.276	3.670	10	20	HHCD	
C[C@H](NCc1nc(COc2ccccc2)n[nH]1)c1cc(Br)cc(F)c1O	769988170	RGQSLEZXNNXWQO-NSHDSACASA-N	421.270	3.842	10	20	HHCD	
CCOc1cc(CNc2ccc3c(c2)ncn3C)ccc1OCC(=O)N1CCCCC1	770589370	QBFGWOAHRWVSKL-UHFFFAOYSA-N	422.529	3.975	10	20	HHCD	
O=C(CCC(=O)c1cccs1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771058370	MZSBWBBOHUMSGI-INIZCTEOSA-N	406.935	3.851	10	20	HHCD	
CN(C)Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	771064089	HWROOTISSNXBHX-HXUWFJFHSA-N	401.938	3.502	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NC[C@H](O)COc2ccccc2Br)cc1	773049160	ATDDWPSRDAVDSY-QAPCUYQASA-N	407.352	3.996	10	20	HHCD	
Cc1nc(Br)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	774065122	XKNKYLOPERCCAW-CYBMUJFWSA-N	419.323	3.872	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccc(C(F)(F)F)c1	774799516	FLKGKIPHFGGEEJ-UHFFFAOYSA-N	421.463	3.825	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1	775114166	IDWIETPDCRGPFW-IBGZPJMESA-N	415.537	3.878	10	20	HHCD	
C[C@@H](NC[C@@H](O)c1ccccc1Br)c1ccc(N2CCOCC2)cc1	775259272	QPUQRRZDQAZHNN-FOIQADDNSA-N	405.336	3.670	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	775415728	ADWJYRKZXSGBFM-MRXNPFEDSA-N	418.563	3.666	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	775834785	CYMPEACUOUBEQJ-KRWDZBQOSA-N	408.546	3.714	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2coc(C3CC3)n2)NC(=O)OC(C)(C)C)cc1	777258560	HXGOWLQUVBZHLJ-QGZVFWFLSA-N	414.506	3.614	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(-c2ccccc2)c1Br	782161639	DSZGVYJEEIPNHI-UHFFFAOYSA-N	413.319	3.973	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	782836518	AYWMJASJNAQWOY-GJZGRUSLSA-N	416.453	3.978	10	20	HHCD	
C[C@@H](Sc1ccc(Br)cc1)C(=O)OCC(=O)c1ccc(O)c(O)c1	783060623	GVEKKASOMHQODN-SNVBAGLBSA-N	411.273	3.767	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1	783315097	TWXKDBVYGCJKAF-UHFFFAOYSA-N	423.435	3.869	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC([C@H]2CCCO2)CC1	784542222	QQNPEJDKBDWUKP-FXAWDEMLSA-N	423.504	3.857	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1	785438686	FHLQAYIURILUHZ-UHFFFAOYSA-N	419.447	3.579	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccccc2OC(C)C)cc1	786858275	OWDWXJUATTXWQN-UHFFFAOYSA-N	411.546	3.595	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc(OC)cc1F	790851617	RFPBNACYDDUBOS-UHFFFAOYSA-N	418.284	3.513	10	20	HHCD	
CN(C)c1ccc(CNCc2noc(-c3cccc(Br)c3)n2)cc1F	790945734	LQSJAOTVZJRKRZ-UHFFFAOYSA-N	405.271	3.994	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Oc3cccc(-c4ncnn4C)c3)ccc21	792145725	WURURVMPRHBGOF-UHFFFAOYSA-N	404.470	3.919	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c(F)c1	795605672	IFKNSCUAPKTFJH-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ncccc1Oc1ccccc1	799530315	HFSFLJNJZSOPEY-UHFFFAOYSA-N	403.482	3.983	10	20	HHCD	
Cc1cc(-c2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2C)c(C)n1-c1ccccc1	800761987	APMHWWDGHMZNBJ-GOSISDBHSA-N	421.545	3.664	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3COC)cc1	801788883	VRYBODOOLWLAFV-UHFFFAOYSA-N	410.518	3.738	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)NCCCSc2nccs2)C1	802243635	GDMADQOCTXEZCR-GOSISDBHSA-N	414.597	3.572	10	20	HHCD	
CCOC(=O)C(C)(C)c1csc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	806821801	YZWYXMVLJDKJAU-CYBMUJFWSA-N	404.536	3.933	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1F	806878670	NPCDUZLDVCKJKW-UHFFFAOYSA-N	422.432	3.694	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nnn(-c3ccc(OC)cc3)c2C)cc1	915061264	KESRCHQREHFCLY-UHFFFAOYSA-N	407.518	3.703	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCC(=O)N(C)C	915910721	WCDNSDUBWCXHKZ-QGZVFWFLSA-N	422.451	3.569	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3cc(C(F)(F)F)nc4ncnn34)cc2F)C[C@H](C)O1	917085996	DDCHGEKKQWKADH-RYUDHWBXSA-N	424.402	3.508	10	20	HHCD	
Cc1cnc(S[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc1	917248817	LFNVOFPUGPWQRR-CYBMUJFWSA-N	403.463	3.680	10	20	HHCD	
C[C@H]1CCc2c(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)csc2C1	917833145	MIBCWMWAXCUXRD-DOTOQJQBSA-N	411.571	3.505	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1ccccc1Br	918083009	OHQFQTDGCZHZPU-UHFFFAOYSA-N	401.308	3.862	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](c2ccccc2OC)c2nccn2C)cc1	918200399	GJFZXYCKDQMGBK-QFIPXVFZSA-N	421.545	3.864	10	20	HHCD	
O=C(Nc1ccc(F)c(Cl)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	918293756	GHMJYRVIBRVBFJ-UHFFFAOYSA-N	402.809	3.945	10	20	HHCD	
Cc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918294886	LWMHTNGPYJADQP-QGZVFWFLSA-N	402.878	3.500	10	20	HHCD	
CS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	1322504444	ZNWOJHPPHRNWQZ-CYGHRXIMSA-N	409.571	3.865	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCNS(=O)(=O)c1ccc(F)cc1Cl	1339983877	WLWVOSFWCOHABU-IUODEOHRSA-N	412.914	3.610	10	20	HHCD	
CC1(C)CC(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)C1	1788429620	OVNOEQZYFWAFHD-UHFFFAOYSA-N	409.486	3.677	10	20	HHCD	
C[C@@H]1CCc2c(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)csc2C1	27215886	MOWUXGKMWVHBLY-OAHLLOKOSA-N	400.544	3.754	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	65277662	OEFQVYFSVRHMPD-CQSZACIVSA-N	414.449	3.582	10	20	HHCD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	145600839	LUYSOAWNFFRYEI-SFHVURJKSA-N	412.578	3.803	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1c1c(F)cccc1F	303714069	ZPNRUJGXAUWRSC-MOPGFXCFSA-N	400.469	3.593	10	20	HHCD	
CCCCNC(=O)C1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1	484852536	WSHCYEATMBSESG-UHFFFAOYSA-N	413.562	3.673	10	20	HHCD	
CCOC(=O)c1ccnc(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)c1[N+](=O)[O-]	524106188	YFJCCIHPDXXVEW-UHFFFAOYSA-N	422.441	3.950	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)nn1-c1ccc(F)cc1	537431820	JLWJLJQMLONKLC-UHFFFAOYSA-N	420.469	3.788	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)C(C)C)cc1F	725816164	KHTQNSCUIXKACC-UHFFFAOYSA-N	401.482	3.826	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCO4)SC2=S)cc1	726626757	FNXNZDNLJFLMCT-AUWJEWJLSA-N	418.883	3.573	10	20	HHCD	
CC1CCN([C@@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	726707787	BTZBSJFOAROVNP-KRWDZBQOSA-N	424.536	3.676	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1O	727763034	ZTEIFFIBUYNKOT-SNVBAGLBSA-N	414.683	3.900	10	20	HHCD	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(CCc2cccnc2)C1=O	727863526	DANIBVJRXUXLTD-ZDLGFXPLSA-N	416.524	3.551	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3cnn(-c4ccc(F)cc4)c3)SC2=S)cc1	728312344	OYIBYNSHIDAPIB-MFOYZWKCSA-N	424.482	3.516	10	20	HHCD	
COCCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728839047	VYHGREUGVQSYPP-UHFFFAOYSA-N	410.436	3.983	10	20	HHCD	
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731364843	PKNFRBFNQGRXLF-MJGOQNOKSA-N	420.573	3.898	10	20	HHCD	
COc1cccc(-n2ccnc2SCC(=O)NCCCSc2nccs2)c1	733971763	FPRPKSUZTJTNTI-UHFFFAOYSA-N	420.585	3.728	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCC2(c3cccc(Br)c3)CC2)c1	734672176	VEUGFZHSPDCAJY-UHFFFAOYSA-N	405.292	3.694	10	20	HHCD	
C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2c(O)ccc3ccncc23)CC1	738108125	CXUWICZSBPFRFZ-OAHLLOKOSA-N	421.526	3.931	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OC	740604538	GUESDILDASBQPY-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c(F)cccc1F	742334048	DSOXMDZVNMBLOS-LBPRGKRZSA-N	418.412	3.514	10	20	HHCD	
COC(=O)[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1F	743484851	IHHXODYNWZDZNU-AUUYWEPGSA-N	408.420	3.900	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCC(C1CC1)C1CC1	743554473	FYXIDWLQEZOIGD-UHFFFAOYSA-N	411.468	3.777	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cc(OC)ccc1OC	743809470	UCZFZURWUHFPDT-UHFFFAOYSA-N	408.292	3.763	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)c1nnnn1-c1ccccc1	743870877	FLMGGZKFHWWDCN-ZDUSSCGKSA-N	402.296	3.714	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	743955356	IPMRVSZGMQROJH-UHFFFAOYSA-N	424.831	3.781	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)c2C)c1	744069473	PDDXFMJRRCJWRH-HSZRJFAPSA-N	401.510	3.933	10	20	HHCD	
C[C@@H](OC(=O)CCC(F)(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	745521433	LGJQGVYQSXKQAY-LLVKDONJSA-N	419.355	3.675	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc([C@@H](C)O)cc1	745791277	ZXWJXDPODXKZAK-CYBMUJFWSA-N	407.308	3.940	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1	746765849	LTJVHUVANGNQDF-UHFFFAOYSA-N	404.555	3.602	10	20	HHCD	
O=C(NC1CCC(N2CCCCC2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1	751110623	QIOFPHSVOCLONH-LZBANZJXSA-N	415.578	3.880	10	20	HHCD	
C[C@@H](NC(=O)N1CC(Cc2ccc(F)c(F)c2)C1)c1ccc(N2CCOCC2)cc1	752915412	MKQZKXUTBAPQSM-MRXNPFEDSA-N	415.484	3.747	10	20	HHCD	
CN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O	753544526	NILOHYFSFGSOBS-IFMALSPDSA-N	403.544	3.759	10	20	HHCD	
Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1	756684854	BNLHUKWLDJSUGF-GOSISDBHSA-N	409.509	3.924	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1cc2c(cc1O)CCCC2	756734071	UNUDKFHXOCOTRM-IBGZPJMESA-N	421.585	3.947	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3cccc(C)c3)CC2)cc(OC)c1OC	758916014	GLMGWDCWFQQXRD-UHFFFAOYSA-N	401.532	3.540	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC	762552603	KXVYZVMYTQEHOI-SFHVURJKSA-N	411.546	3.982	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NC(=O)NCc3cccc(Br)c3O)cn2)n1	765240286	CKXNNHKOUVAKQH-UHFFFAOYSA-N	416.279	3.674	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1	765325423	NRELQXKMMAZFKH-NZQKXSOJSA-N	409.530	3.837	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc([N+](=O)[O-])ccc1N1CCCC1	765758339	VGVBPUDADAYUJU-UHFFFAOYSA-N	420.263	3.593	10	20	HHCD	
CC(C)COc1cccc(OCC(=O)NCc2cccc(Br)c2O)c1	765766478	XRATWLQHRYECIK-UHFFFAOYSA-N	408.292	3.885	10	20	HHCD	
COc1ccccc1S(=O)(=O)CCCN(C)Cc1ccc(N2CCCCC2)cc1	766751062	JFOGLYUSTWKAFA-UHFFFAOYSA-N	416.587	3.981	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)cc1F	769087590	NCWZUUDDEFGOGJ-FCHUYYIVSA-N	407.493	3.816	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/SC(=S)N(C(C4CC4)C4CC4)C3=O)cc2)CC1	771512088	ANBMBSHNFVFQBI-XMHGGMMESA-N	413.612	3.828	10	20	HHCD	
C[C@H](NC(=O)/C=C\c1ccc(I)o1)c1ccc(N(C)C)cc1	773001410	UFRVOYRVXGTACP-MMRAYRKESA-N	410.255	3.841	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)c1C	773419041	GBVCESBBNBNZDC-UHFFFAOYSA-N	408.523	3.832	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1OCC(F)(F)F)c1ccc(N(C)C)cc1	773844142	CLEVQFWGHJZLOK-CYBMUJFWSA-N	409.408	3.510	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C)c2Cl)cc1	775673275	PSYNQVAPLOBSAU-UHFFFAOYSA-N	402.925	3.601	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccc(S(=O)(=O)N(C)C)o1)Cc1ccccc1O	776009109	IIVWGCPPQHOKLH-KRWDZBQOSA-N	414.527	3.999	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)Nc2ccc(N3CCNC(=O)C3)cc2)c1O	779040130	LRAIUWRXARXIRD-ZDUSSCGKSA-N	404.308	3.572	10	20	HHCD	
CCCCn1ncc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1C	782897056	WYPPBENVBFJNIT-UHFFFAOYSA-N	412.534	3.997	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(-c3csnn3)cc2)cc1	784107000	BPQXZAWTDIIKQP-UHFFFAOYSA-N	421.526	3.949	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)no1	784109113	PORNRCLRLHGMSU-UHFFFAOYSA-N	419.485	3.789	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)CC1	786259593	RKOJAZFRZHLCLR-UHFFFAOYSA-N	409.574	3.578	10	20	HHCD	
CCOCc1ccccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	787516045	WYWQKAQKJQDLBJ-UHFFFAOYSA-N	424.541	3.906	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H](C)Cc3ccco3)cc2Cl)C1	787978504	YZFDMSALLNXMMT-JKSUJKDBSA-N	417.937	3.533	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc2ccn(C)c12	788326319	FGABKANQEKZFTG-UHFFFAOYSA-N	404.514	3.766	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1	793608621	JAUVUPWGGZFYPX-PKTZIBPZSA-N	423.557	3.526	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl	797441544	LSXJJKFLNFOXKW-UHFFFAOYSA-N	415.342	3.651	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)OCC(=O)N4)cc2Cl)C1	800570025	GAPLRELWMXZEGB-CQSZACIVSA-N	413.905	3.837	10	20	HHCD	
COCCO[C@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	801004211	ZIKHZBUDAJMKFK-QFIPXVFZSA-N	403.567	3.793	10	20	HHCD	
C[C@H](Cn1ccc2ccccc21)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	803795636	KYIBHXNWSUNCDJ-GOSISDBHSA-N	407.514	3.545	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc(OC2CCCCC2)cc1)c1ccc(N(C)C)cc1	804110424	NLGGEQQRIGJTRJ-SFHVURJKSA-N	423.557	3.958	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(Cl)s1	806227336	LGSIJZHEDKCWIP-JTQLQIEISA-N	403.982	3.724	10	20	HHCD	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290406	IESVBFQKWYXJSM-QHCPKHFHSA-N	423.532	3.544	10	20	HHCD	
C[C@@H]1[C@@H](NC(=O)NCc2cccc(Br)c2O)CCN1Cc1ccccc1	807622424	SRICWNUZGOZKTH-KDOFPFPSSA-N	418.335	3.617	10	20	HHCD	
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)[C@H]2C1	808358022	VSKOJZRUYNWJJE-XWGVYQGASA-N	422.573	3.583	10	20	HHCD	
C[C@H]1C[C@@H](N2CCCC2)CN1Cc1cc(Br)cc(Br)c1O	809703577	NHAGGJSSCBORSK-SMDDNHRTSA-N	418.173	3.976	10	20	HHCD	
CC[C@H](NC[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O	811505299	AITQMTQXBXMYQE-UHOFOFEASA-N	408.486	3.560	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	813719972	QIPMRYOGSMNJGW-QRFRQXIXSA-N	416.566	3.855	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1	916502782	WKGMAGNZSQRECO-UHFFFAOYSA-N	401.894	3.801	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)Nc2ccc(Br)cn2)C2CC2)cc1	917416851	BCXKQSINXWOGTO-UHFFFAOYSA-N	403.324	3.513	10	20	HHCD	
O=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccc(N2CCOCC2)c(F)c1	917709470	YIYXCSDIVYCZJM-UHFFFAOYSA-N	423.488	3.956	10	20	HHCD	
CC(C)CCc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	917918638	RHDKSLAZPYVHJR-UHFFFAOYSA-N	420.550	3.729	10	20	HHCD	
Cc1nc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)oc1C	1123918745	QIKCTXWMDCXSOS-NTEUORMPSA-N	421.569	3.651	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(O)c1	1321219095	BETNODKEDFUOKJ-UHFFFAOYSA-N	412.486	3.624	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccn(-c4ccc(F)cc4F)n3)CC2)cc1	1338071982	NAEBMOHYJZTLPQ-UHFFFAOYSA-N	412.440	3.512	10	20	HHCD	
CN1CCCc2cc(CNCc3cn(C)nc3-c3ccc4c(c3)OCCCO4)ccc21	58477103	MSCNVSZVHGHDBQ-UHFFFAOYSA-N	418.541	3.921	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnc(-c4ccccc4)nc3)cc2F)C[C@H](C)O1	109269723	CBHTYOYNLXTGLA-IRXDYDNUSA-N	420.488	3.826	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3Cc3ccccc3)cc2F)CC1	303339801	VVIMFXJHYDWPBR-QFIPXVFZSA-N	424.564	3.884	10	20	HHCD	
Cc1ccccc1-n1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)c2c1CCC2	437006341	HNBKBXLPCPSWAB-UHFFFAOYSA-N	402.498	3.775	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC(C)(C)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1	726613227	PBEXYHLFPQGESG-OALUTQOASA-N	416.610	3.720	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)CC2)cc1	727591498	SDUFMDSAJIKBQN-UHFFFAOYSA-N	411.893	3.888	10	20	HHCD	
CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C1	728745119	NMJXHGUZJMFMBQ-ICSRJNTNSA-N	400.567	3.513	10	20	HHCD	
COC(=O)c1ccc(OC(C)C)c(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	729039452	NFJRGMMUISANMZ-ZDUSSCGKSA-N	402.447	3.857	10	20	HHCD	
O=c1cc(CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)[nH]c2ccnn12	731212342	HSPATOANLJHKCE-DAXSKMNVSA-N	414.465	3.514	10	20	HHCD	
CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	732456572	JLFHMWYJPTYMCS-OAQYLSRUSA-N	418.557	3.604	10	20	HHCD	
COc1ccc2[nH]cc(CCNC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2c1	733346571	XAJMFTLQBSZFBE-QGZVFWFLSA-N	422.529	3.616	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1	734518449	XWTCHUNKHRQZPU-UHFFFAOYSA-N	406.486	3.906	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(NC(=O)c2ccccn2)c1	734520129	FEOBMVZGGQWHNU-UHFFFAOYSA-N	417.513	3.708	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc(N2CCOCC2)cc1	735680493	FWUMJJBTGVMUMU-HFSMHLIXSA-N	403.567	3.725	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3cc(Cl)cs3)cc2F)CC1	736479417	PUCHDVMSQXJJTF-UHFFFAOYSA-N	409.958	3.932	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(-n3cccc3)c2)C2CC2)cc1	737136979	NRJVLLSVHASMJP-UHFFFAOYSA-N	402.498	3.673	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(O[C@H]2CCOC2)cc1	740461560	XZVTZXRPWVXYDG-NRFANRHFSA-N	413.543	3.729	10	20	HHCD	
CCCc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n2ncnc2n1	742423552	OUWXDUMQJHDMPP-OAHLLOKOSA-N	402.449	3.759	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(F)c1	745397093	XSYMOVRNVYIWGS-NRFANRHFSA-N	408.477	3.732	10	20	HHCD	
C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)CN1CCCCC1	745681785	VTKZGSUTHJPZQA-QZTJIDSGSA-N	424.536	3.678	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)cc1F	746019654	VZLGVFJXIBZKJT-SFHVURJKSA-N	418.557	3.652	10	20	HHCD	
CN1CCCc2cc(CNS(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)ccc21	746705751	WXKIZGVMPRMPCZ-UHFFFAOYSA-N	415.559	3.532	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCS(=O)(=O)[C@@H]4CCCC[C@@H]43)c2C)c1	753692271	QZQVBZILWZKBOV-LEWJYISDSA-N	400.544	3.584	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CN[C@@H](C)c2cc(Br)cc(F)c2O)c1	756382853	FBGDMZQHKZZSLN-QFYYESIMSA-N	414.271	3.695	10	20	HHCD	
CS[C@H](CO)[C@@H](C)N[C@@H](C)c1cc(Br)cc(Br)c1O	756594590	RGUSOICVZIWFRY-JOAULVNJSA-N	413.175	3.680	10	20	HHCD	
COc1ccc(N(C)Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)cc1Cl	757855739	HOMKVWSXQPKMIM-UHFFFAOYSA-N	404.923	3.819	10	20	HHCD	
NC(=O)[C@@H](Cc1ccc(Cl)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	760580651	SCLXNDXRLYOAAE-VQIMIIECSA-N	423.891	3.596	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCC[C@H]2OCC[C@@H]12	760897909	IAGBPJPBZSMFNZ-ZWQIFLOQSA-N	409.477	3.514	10	20	HHCD	
CO[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1Cl	763596418	QDCRIMZIVUVJPK-KKSFZXQISA-N	417.937	3.925	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1	764252936	HSPTYOQFZXDOKA-UHFFFAOYSA-N	413.271	3.905	10	20	HHCD	
O=C(CCCc1ccccc1Br)NCc1ccc(N2CCOCC2)cc1	765041349	OINCREYWHDTODJ-UHFFFAOYSA-N	417.347	3.925	10	20	HHCD	
C[C@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C	769124437	KUODUBFFETXRKD-PPYMECGQSA-N	414.481	3.745	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)NC(=O)C1CCCCC1	769292291	SUELJEFCSPMSLP-ZDUSSCGKSA-N	411.340	3.588	10	20	HHCD	
CCc1cccc(CC)c1NC(=S)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	769795392	SBZZIRFROIZKTG-UHFFFAOYSA-N	413.551	3.725	10	20	HHCD	
C[C@H](NC(=O)c1cnc(Oc2ccccc2)cn1)c1ccc(N2CCOCC2)cc1	773287161	XQGIYJKEDDCJLD-KRWDZBQOSA-N	404.470	3.597	10	20	HHCD	
CC(C)CO[C@H](C)c1noc(CN(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	773615769	YFRHQSVRTORJQD-JKSUJKDBSA-N	403.527	3.772	10	20	HHCD	
C[C@H](NC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccc(N(C)C)cc1	773627904	ZKFYTEJTOUXFAX-INIZCTEOSA-N	414.937	3.635	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(F)cc2NS(C)(=O)=O)cc1	774013066	NOWRWHQRBONZEV-UHFFFAOYSA-N	401.463	3.857	10	20	HHCD	
Cc1cc2c(N3CCC[C@H]3C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ncnc2s1	775403484	JPXPAWNKJDTSSR-KXBFYZLASA-N	409.559	3.912	10	20	HHCD	
Cc1nn2cc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)cnc2c1Cl	776083054	NGKVJLOIJGWRHS-UHFFFAOYSA-N	423.882	3.755	10	20	HHCD	
Oc1ccc(Br)cc1CN1CCOC[C@@H]1c1noc(-c2ccccc2)n1	779615705	ICGFSHGFOLDMEZ-MRXNPFEDSA-N	416.275	3.778	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)c2)n[nH]1	784108040	FIWHAKLJTXKFFO-UHFFFAOYSA-N	418.501	3.524	10	20	HHCD	
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	786434075	IIWRCZOGOKOQOQ-XPGWFJOJSA-N	420.469	3.841	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1nnn(CC2CCCC2)c1C	789983823	XBBYHABOHBLTQM-UHFFFAOYSA-N	421.339	3.907	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/SC(=S)N(c4ccsc4)C3=O)cc2)CC1	790108507	SKVMPZZQIJWXED-SFQUDFHCSA-N	401.582	3.906	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCO[C@]4(CCO[C@@H]4C)C3)cc2Cl)C1	799995348	YYRTYIKQNGAXKZ-DRSNIGMVSA-N	421.969	3.666	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)C[C@@H]3CCCCO3)cc2Cl)C1	800148481	MJPWMZOWLCRJMP-WBVHZDCISA-N	400.972	3.565	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1	801549798	AQJPEZUVALTBCA-MRXNPFEDSA-N	407.507	3.913	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C	802610433	ZRIYDMFKSZABIJ-UHFFFAOYSA-N	424.476	3.793	10	20	HHCD	
Cc1ccc(CC[C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1	807651636	CMFDCBPVCFJZAN-SFHVURJKSA-N	411.546	3.674	10	20	HHCD	
COCCc1nc(COC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)no1	811064142	WDSZSBLLAABEHN-UHFFFAOYSA-N	403.866	3.605	10	20	HHCD	
C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)c1ccccc1	812024761	RQLORGSTNYSCDT-YWZLYKJASA-N	419.472	3.678	10	20	HHCD	
CCOCCCn1c(CC(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812193329	FVULZMKXWPMOFA-UHFFFAOYSA-N	415.582	3.629	10	20	HHCD	
CCc1nc(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cs1	913223978	HFDRDLYXJNOMDD-UHFFFAOYSA-N	422.418	3.746	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OC[C@@H]1CCCCO1	914083966	JETZQXSZUCYMSL-JMRXEAOASA-N	411.570	3.842	10	20	HHCD	
CCCCCc1nnc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	916669759	OBUSELNNAUQFSD-UHFFFAOYSA-N	421.542	3.693	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CC3CCCCC3)cc2F)C[C@@H](C)O1	916980349	KQDSISARKXAAOK-QZTJIDSGSA-N	405.558	3.568	10	20	HHCD	
Cc1cc(C)n([C@H](C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	917713269	KBGCLHVDFWQQGQ-SQNIBIBYSA-N	402.514	3.520	10	20	HHCD	
Cc1[nH]nc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1Br	919709649	XSVLGIVWIFRTKA-UHFFFAOYSA-N	417.307	3.982	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@H](N(C)Cc3ccc(N4CCCC4)cc3)C2=O)c1	1323319614	YAKWYRIQJVHSLN-QHCPKHFHSA-N	409.530	3.541	10	20	HHCD	
C[C@H](NC(=O)NCCCn1ccc2ccccc21)c1ccc(N2CCOCC2)cc1	65435195	DVWMYXKNYHVMQX-IBGZPJMESA-N	406.530	3.928	10	20	HHCD	
CC(=O)NCC1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)CC1	108145194	VFAHGSOOUJESGP-UHFFFAOYSA-N	407.558	3.614	10	20	HHCD	
C[C@H](NC(=O)Nc1nc(-c2ccccc2)ns1)c1ccc(N2CCOCC2)cc1	140742573	WBTADFMJPNKYDE-HNNXBMFYSA-N	409.515	3.924	10	20	HHCD	
Cc1ccc(CN2C[C@H](C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2=O)cc1	302760191	HNPAZANYYAJHNR-HSZRJFAPSA-N	419.569	3.992	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(-c4ccco4)nc3C)cc2F)CC1	303320375	REKODVMHACNZEZ-UHFFFAOYSA-N	422.504	3.861	10	20	HHCD	
COCCCN(Cc1ccncc1)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	519313675	PAHWPWCLVHECMM-UHFFFAOYSA-N	409.530	3.978	10	20	HHCD	
Cc1c(CNc2cnn(-c3ccccn3)c(=O)c2Br)n(C)c2ccccc12	573783275	BDLYCMVDPCVPPD-UHFFFAOYSA-N	424.302	3.802	10	20	HHCD	
CN(C[C@H]1OCCc2ccccc21)C(=O)NCc1ccc(N2CCSCC2)cc1	725863915	KDOIGVSLISOTPK-JOCHJYFZSA-N	411.571	3.695	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)CC(=O)Nc3cccc(C)c3)CC2)cc1	726709622	VRVFZGKGXWLUIU-OAQYLSRUSA-N	424.589	3.523	10	20	HHCD	
Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1	730418036	WUGSREXISVEIPK-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
O=C(NCCCc1c[nH]c2ccccc12)NCc1ccc(N2CCC(O)CC2)c(F)c1	730905768	ZTROUCBKFUCOIW-UHFFFAOYSA-N	424.520	3.700	10	20	HHCD	
COC(=O)CN(Cc1cnc2c(cnn2C(C)C)c1)Cc1cc(Cl)ccc1O	732203343	YMBMMYCTSOLBEJ-UHFFFAOYSA-N	402.882	3.546	10	20	HHCD	
COC(=O)Nc1ccc(CNC(=O)CN(Cc2ccccc2O)C2CCCC2)cc1	732204717	QHJXCGUPOXJWER-UHFFFAOYSA-N	411.502	3.632	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@H](c2ccco2)C1	732242066	VYNPATHQDRIDPF-INIZCTEOSA-N	423.435	3.834	10	20	HHCD	
CC1(C)OC(=O)c2c1ccnc2NCc1ccc(N2CCOCC2)cc1C(F)(F)F	732804198	UOOOFKKUHQDUFP-UHFFFAOYSA-N	421.419	3.955	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1	734405633	VDSRUPNYVNLPEY-UHFFFAOYSA-N	409.511	3.772	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1	734687815	VEFJLQDOIJJZHL-IBGZPJMESA-N	404.555	3.602	10	20	HHCD	
O=C(NCC1Cc2ccccc2C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	735324785	APKJDOVKPFJJAC-UHFFFAOYSA-N	415.484	3.971	10	20	HHCD	
O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NCc1cccnc1	735415179	XJGGDZQSCHQOCK-UHFFFAOYSA-N	404.495	3.995	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1F	737165536	GMZGMLVEIJZICC-UHFFFAOYSA-N	412.465	3.585	10	20	HHCD	
COCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1	739599327	QATNAKSNLDZSOQ-UHFFFAOYSA-N	416.543	3.595	10	20	HHCD	
CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(N2CCCCC2)cc1	741710318	AYLWEVRZRIFOMS-UHFFFAOYSA-N	422.573	3.584	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H]3CCCC[C@H]3S(C)(=O)=O)c2C)cc1	742184498	VTTNNJHQEWOENP-LEWJYISDSA-N	418.559	3.531	10	20	HHCD	
C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)n1nnc(-c2ccccc2)n1	742496679	BLINGVDHHAIVTA-SFHVURJKSA-N	404.518	3.550	10	20	HHCD	
CC(=O)NC[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	742558169	NEKNHICNRJVSBI-GOSISDBHSA-N	420.509	3.822	10	20	HHCD	
COC(=O)[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1F	743484856	IHHXODYNWZDZNU-LIRRHRJNSA-N	408.420	3.900	10	20	HHCD	
Cc1noc(C)c1[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743612968	ZQAPSIFJRNONMA-WFASDCNBSA-N	408.449	3.922	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)CN(C)Cc3nc[nH]n3)c2C)ccc1Br	746478384	ZZKLBUSCKGIFJP-UHFFFAOYSA-N	416.323	3.598	10	20	HHCD	
Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	746804395	LUDKBNYIEQFXKW-UHFFFAOYSA-N	403.404	3.645	10	20	HHCD	
COc1ccc(-n2c(C)cc(CN(C)Cc3ccc(OCC(N)=O)cc3)c2C)cc1	749811287	ONBJWXATHKWXLM-UHFFFAOYSA-N	407.514	3.599	10	20	HHCD	
CO[C@H](C)c1noc(CN2CCCN(Cc3cc(C)cc(C(C)(C)C)c3O)CC2)n1	749978578	DFBWFEXTAZTPFA-QGZVFWFLSA-N	416.566	3.796	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc(OC)c(F)c1	751467101	PPOZOMZRVWKOMS-UHFFFAOYSA-N	418.284	3.513	10	20	HHCD	
CC(C)Nc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	752793426	IYFKCYDEGMCAPY-HZPDHXFCSA-N	400.498	3.585	10	20	HHCD	
O=C(NCc1c(F)c(F)cc(F)c1F)N(Cc1ccccc1O)C[C@@H]1CCCO1	753038710	CHIYRLMBZZWHFF-ZDUSSCGKSA-N	412.383	3.839	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(Cn4ccnn4)CC3)c2C)cc1	753219585	FIDNVNMUZZSVEW-UHFFFAOYSA-N	421.545	3.679	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCn3c(CCc4ccccc4)nnc3C2)c1O	754661601	ZHFWLEHNOIAUTO-UHFFFAOYSA-N	410.905	3.641	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3cc(F)cc(F)c3O)CC2)cc1	756498552	XJQHKMRXJUKRTD-AWEZNQCLSA-N	424.513	3.784	10	20	HHCD	
CCNC(=O)COc1ccc(N[C@@H](C)c2cc(Br)c(F)cc2O)cc1	756802447	JENOVVIDANBGDQ-NSHDSACASA-N	411.271	3.982	10	20	HHCD	
C[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(N(C)C)cc1	758055956	KINQOERYNAZTQH-RHSMWYFYSA-N	411.493	3.822	10	20	HHCD	
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1ncc(C(C)(C)C)s1	759719793	NBQXEVLXPLVNGR-HNNXBMFYSA-N	404.557	3.659	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](C)[S@](=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1	759858541	QKULMLQESVUXEG-MHTXLSKPSA-N	424.513	3.721	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H](c1ccco1)N1CCCCC1	760928275	MFZCKBSDYQCYGU-KRWDZBQOSA-N	417.893	3.630	10	20	HHCD	
COc1cc(Cl)cc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1O	761201522	AZOCKXOYQQJWNJ-UHFFFAOYSA-N	424.950	3.519	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1O	763093393	YGABJRRYDBOBAJ-AUUYWEPGSA-N	421.900	3.686	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(O)(c2ccccc2Cl)CC1	765512818	USZTVPFKRPSSLH-UHFFFAOYSA-N	411.933	3.909	10	20	HHCD	
O=C(Cc1cccc(OC(F)(F)F)c1)NCc1cccc(Br)c1O	765729534	OAKPKPZDFFSDMT-UHFFFAOYSA-N	404.182	3.912	10	20	HHCD	
COc1ccc(N2CCC(NCC[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1	765852204	SUITWAWYTQZTJH-SFHVURJKSA-N	403.567	3.901	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3CCCc4cn(C(C)C)nc43)CC2)cc1F	765917338	FBVFHPSJUQJOJD-IBGZPJMESA-N	415.513	3.521	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	766894473	UZIYZBLTYYSTND-HYFFOGBASA-N	415.509	3.535	10	20	HHCD	
O=C(N/C(=C\c1cccnc1)C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32)c1ccccc1	768572701	JMZNNBZMNIRDFX-BJLUOBIUSA-N	423.472	3.959	10	20	HHCD	
C[C@@H](c1cccnc1)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	769425890	YGEZIMWKHILGFL-IBGZPJMESA-N	409.534	3.859	10	20	HHCD	
CCn1ncc2c(C(=O)NCc3cccc(OC)c3O)cc(-c3ccccc3)nc21	769508359	YVHAVXHDOYGYCP-UHFFFAOYSA-N	402.454	3.762	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1O	770380909	QUPOPJQCTZABQR-GFCCVEGCSA-N	407.312	3.538	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2nc1O	771060563	WPCGQNQRYFFSAJ-QGZVFWFLSA-N	411.889	3.694	10	20	HHCD	
C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1Cl	772978171	CWBOLKBKUSYVCR-HNNXBMFYSA-N	405.882	3.814	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cnc(Oc4ccccc4)cn3)CC2)cc1	773272064	VFHVBMIMTOAPNF-UHFFFAOYSA-N	404.470	3.630	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c3c2CCC3)c(C)c1	773741451	UQNDPGYBIZVAMT-MRXNPFEDSA-N	405.498	3.750	10	20	HHCD	
C[C@@H](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	773744221	PZRYWRNKYDHQGW-LZLYRXPVSA-N	420.550	3.818	10	20	HHCD	
CC(C)[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc21	774763472	NJYWVRVBDRXJOO-UGKGYDQZSA-N	420.557	3.858	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cccc(I)c2)c1O	774935527	OQVFWBLRGBGVFB-UHFFFAOYSA-N	400.172	3.526	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1	775370790	ROJCPEIWRLFSNZ-OAHLLOKOSA-N	406.486	3.753	10	20	HHCD	
Cc1cc(Br)cc(CN2CCC[C@H](c3nnc4ccccn34)C2)c1O	775644209	AKRWIILQQKYETG-AWEZNQCLSA-N	401.308	3.885	10	20	HHCD	
COCCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	777211537	LXCSAPOHMVXXOJ-DHIUTWEWSA-N	414.546	3.768	10	20	HHCD	
CC(=O)Nc1cccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2Br)c1	777474113	SKIBWZYLNAKKJR-UHFFFAOYSA-N	424.280	3.629	10	20	HHCD	
O=C1N[C@@H](c2ccccc2)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	777626026	XPPOBEYQXKQAPG-SFHVURJKSA-N	401.413	3.550	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)c(I)c(F)c1	779510702	PMDMGQIXQIAIJA-DUXPYHPUSA-N	417.149	3.633	10	20	HHCD	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	779539244	XPFVFDNTJKECKJ-KNQAVFIVSA-N	411.546	3.567	10	20	HHCD	
CCc1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)cnn1-c1ccc(Cl)cc1	784784401	LYVQKRCECKAWAI-UHFFFAOYSA-N	400.818	3.539	10	20	HHCD	
C[C@H](NC(=O)COc1cccc(I)c1)c1ccc(N(C)C)cc1	784894037	QJBCXLWZHMRUBZ-ZDUSSCGKSA-N	424.282	3.613	10	20	HHCD	
O=C(COC(=O)c1ccc(Br)c(Cl)c1F)c1ccc(O)c(O)c1	785019026	RZEIFIGELLYTOS-UHFFFAOYSA-N	403.587	3.693	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(N2CCCCC2)cc1	787921959	AVHMIKJOVMQEEG-UHFFFAOYSA-N	417.575	3.938	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1	788940186	NZLMDLKQCCEZBN-OAHLLOKOSA-N	403.473	3.647	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3c(Cl)cccc3OC)CC2)cc1	790546122	ZKUKTZNTDOTXOR-UHFFFAOYSA-N	403.910	3.779	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1ccc2c(c1)CCC2	791245602	BXXXEBHMKLPUIL-UHFFFAOYSA-N	424.541	3.943	10	20	HHCD	
CNC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(C)c1	797681234	ZKBNQQAWXZRGPC-UHFFFAOYSA-N	424.545	3.678	10	20	HHCD	
Oc1cc2c(cc1CNCc1ccc(I)c(Cl)c1)OCO2	800293796	LJHIBCTXIZXGRE-UHFFFAOYSA-N	417.630	3.669	10	20	HHCD	
Cc1cnc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1	800636879	PZVKBOSNHKIXRN-GFCCVEGCSA-N	406.939	3.596	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	801050058	BBDRBMNURMMLNK-KSFYIVLOSA-N	404.555	3.760	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)ccc21	806634726	KOTYYFWHUPWSIZ-CQOQZXRMSA-N	405.542	3.783	10	20	HHCD	
Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1cccc(Br)c1O)N(C)C	807406927	FHIHWAXIJQYJHI-KDOFPFPSSA-N	420.351	3.954	10	20	HHCD	
CC(C)CN(C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCc2cccnc21	807674318	JWWINRXHPANHAR-PGRDOPGGSA-N	422.573	3.887	10	20	HHCD	
COc1cc(Br)cc(CN(CC(=O)N2CCCCCC2)C(C)C)c1O	809714710	OWJGTUGKVWTTRO-UHFFFAOYSA-N	413.356	3.776	10	20	HHCD	
Cc1nc(NC(=O)C(=O)NCCCSc2nccs2)ccc1-c1ccccc1	810372202	CDPWXDNEACTCJK-UHFFFAOYSA-N	412.540	3.751	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)Nc2cccc(CN3CCNC(=O)C3)c2)c1O	812742575	WGGAUQQQVJRXNZ-AWEZNQCLSA-N	418.335	3.568	10	20	HHCD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	815114264	LNGUBTJPEUREHT-ZWKOTPCHSA-N	404.514	3.522	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c([N+](=O)[O-])c1	817978204	YJBWIAHHACORMU-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1	915222547	JNYZAYOXTGKAOH-UHFFFAOYSA-N	418.496	3.796	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1	915346731	USQRDHSRKHRBEZ-UHFFFAOYSA-N	422.529	3.846	10	20	HHCD	
C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@H]1C[C@H]2CC[C@H]1C2	916828514	BXVVLQCBRYVVDJ-UMCXVIDHSA-N	418.449	3.925	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC2)cc1	918065191	PIQZUJOJSRXRSZ-XMMPIXPASA-N	422.573	3.754	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccnc3)cc2F)C[C@@H](C)O1	918221035	NCNQSOJTEOQVIL-LZJOCLMNSA-N	412.509	3.881	10	20	HHCD	
CN(C)C(=O)c1ccc(NC(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)cc1	29923235	OPSVDWQPMQFOMK-UHFFFAOYSA-N	421.419	3.678	10	20	HHCD	
Cc1cc(C(=O)NCc2ccccc2Cn2cncn2)c(C)n1-c1ccc(F)cc1	33105371	BIKOYFWWXMETRD-UHFFFAOYSA-N	403.461	3.803	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(N(C)C(C)=O)CC3)c2C)c1	110986184	GHEBGMOXWRECEU-UHFFFAOYSA-N	413.587	3.941	10	20	HHCD	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1/SC(NC2CCCCC2)=NC1=O	207056256	IZUUDCIQWYIEIP-QGOAFFKASA-N	424.526	3.942	10	20	HHCD	
CCNC(=O)c1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	303366155	IPRNZWSLNFQTOJ-UHFFFAOYSA-N	408.546	3.672	10	20	HHCD	
CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NCc1c(C)c2ccccc2n1C	472113556	VDKWWGBVKUMWKE-KRWDZBQOSA-N	413.543	3.538	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(C(=O)N(C)C)c3)ccc21	482998137	VWLIZGOKPBQMPU-UHFFFAOYSA-N	407.514	3.536	10	20	HHCD	
CCNc1cnc(-c2noc(Cn3c4c(c5ccccc53)CN(C(C)C)CC4)n2)cn1	568818737	ZMDFGRQXJQLYLI-UHFFFAOYSA-N	417.517	3.728	10	20	HHCD	
NCCN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1[N+](=O)[O-]	579163246	GJSLXNQPBXNWLL-UHFFFAOYSA-N	414.469	3.808	10	20	HHCD	
COC(=O)c1ccc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1	726627653	PZTIIAHEORWXMH-LICLKQGHSA-N	415.492	3.896	10	20	HHCD	
C[C@@H]1CCCCN1C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	731106783	GOJTVUOLYPPXQQ-QGZVFWFLSA-N	401.551	3.865	10	20	HHCD	
COc1ccccc1[C@H](C)N(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	732202563	WXRJZMPYLFENNR-AZUAARDMSA-N	412.530	3.601	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC[C@H]3CCc4ccccc43)cc2F)C[C@@H](C)O1	732451484	WNVSBAGQPAEICO-FUHIMQAGSA-N	411.521	3.969	10	20	HHCD	
C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCCSc1nccs1	733974440	RYLWGDLLRZQOFF-JTQLQIEISA-N	418.371	3.867	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(I)c[nH]1	734424960	MKJYTIXZETXTHB-UHFFFAOYSA-N	423.298	3.882	10	20	HHCD	
O=C(c1ccc(-n2ccnc2S)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	735517955	PABXRPNMKRNKHA-LJQANCHMSA-N	409.511	3.688	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1	741070549	BDLLIRBPFCUCBJ-UHFFFAOYSA-N	418.563	3.925	10	20	HHCD	
CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C)n(-c3ccc(F)cc3)c1C)CC2	741234883	YTUDLRYJLIZVGH-NHCUHLMSSA-N	400.494	3.625	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1	742271973	RDFPBLIDXIQVMT-UHFFFAOYSA-N	418.302	3.788	10	20	HHCD	
O=C(NC1CC1)c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1	742423512	NRXFNVIKJBRGPT-MRXNPFEDSA-N	402.445	3.656	10	20	HHCD	
CC(C)n1cc(Br)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	742557263	RVDSVPPGAXUEKF-UHFFFAOYSA-N	424.314	3.737	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)NC(=O)OC(C)(C)C)cc1	742750701	PCFDHUDIRAHFJP-LJQANCHMSA-N	401.482	3.888	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@]12CCCc1ccccc12	743315397	UWFTUYIBRUCZLQ-AZGAKELHSA-N	404.554	3.806	10	20	HHCD	
CCSCC[C@H](C)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	745809547	UMJBVSXBZNENHR-KRWDZBQOSA-N	410.603	3.641	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)ccc21	746726447	RPHWRRIZNLJSRD-QGZVFWFLSA-N	414.500	3.673	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1CC(OCc2ccccc2)C1	746858074	GIHGCRAXETZKGJ-UHFFFAOYSA-N	408.542	3.507	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCc1ccccc1O	748350439	SARBPFSBDCLUSR-UHFFFAOYSA-N	414.458	3.571	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	748485144	DCFZJDBYWODQTK-UHFFFAOYSA-N	417.490	3.848	10	20	HHCD	
COc1ccc(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1OCC(N)=O	749348342	VHGHCLKVPVWOOS-UHFFFAOYSA-N	421.497	3.836	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1F	749646287	RBEJOEAISRVQPP-UHFFFAOYSA-N	420.916	3.646	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1O	750817005	GUUIWBGTQLDZCB-UHFFFAOYSA-N	420.868	3.944	10	20	HHCD	
COC(=O)c1ccccc1CS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	751137009	OYDCXRYGJRAQMK-UHFFFAOYSA-N	417.527	3.844	10	20	HHCD	
O=C(NCCOc1ccccc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1	752703180	NGKMSMGTWHULEV-QGZVFWFLSA-N	404.894	3.815	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3c[nH]c4cc(Cl)ccc34)CC2)cc1F	753740548	RGWYPYUUCUNXFY-UHFFFAOYSA-N	401.869	3.860	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](c3nc(C)cs3)C3CC3)CC2)cc1F	753941278	RPSCLPGMFXVMIE-SFHVURJKSA-N	404.511	3.582	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	756542590	BPYBXRUVUWRPKT-KSSFIOAISA-N	406.523	3.697	10	20	HHCD	
COc1ccc(N[C@H](C)c2cc(Br)cc(Cl)c2O)cc1-n1cnnn1	757610806	HYILNXMRPRVMRT-SECBINFHSA-N	424.686	3.966	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C(=O)c3ccc(Cl)s3)cc2F)C[C@H](C)O1	758092566	KCRWFHINJFNXEL-RYUDHWBXSA-N	410.898	3.653	10	20	HHCD	
COc1cc(CN2CCC(N3CCN(C(C)C)CC3)CC2)c(O)c(C(C)(C)C)c1	760286386	KUSWYBCSMBJUSP-UHFFFAOYSA-N	403.611	3.689	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(-c2nc([C@@H]3CCCS3)no2)c1)c1cccs1	762230732	KUQXQNCJTXASTL-ZDUSSCGKSA-N	409.514	3.873	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1	762572325	KWDIELDEYUSGMT-UHFFFAOYSA-N	416.566	3.589	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NC2CCN(c3ccccn3)CC2)C1	765993297	MLQNIGNNCVTKNW-HXUWFJFHSA-N	400.954	3.664	10	20	HHCD	
CCN(CC1CCN(Cc2cc(OC)c(OC)cc2O)CC1)C(=O)OC(C)(C)C	768464860	BUTUCOFLYREIBB-UHFFFAOYSA-N	408.539	3.878	10	20	HHCD	
Cc1cc2ncn(CC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2cc1C	768511782	JYDQLXWQQIBKKG-ROUUACIJSA-N	424.520	3.722	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1	768959284	YTXITRKWOKQUGA-LJQANCHMSA-N	408.468	3.874	10	20	HHCD	
CCOc1ccc(O)c(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1	769204772	TWJPXZRBTUXYOR-INIZCTEOSA-N	401.482	3.964	10	20	HHCD	
CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769205063	CXKZNANGNHMPMK-IBGZPJMESA-N	402.539	3.569	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1	769785038	GEDRYXHSDBXFCO-LJQANCHMSA-N	413.499	3.612	10	20	HHCD	
C[C@@H](CC1CCCCC1)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	772463979	YEDLVGAJJUHATG-FXAWDEMLSA-N	400.567	3.546	10	20	HHCD	
COc1ccc(C2(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)CCOCC2)cc1	773246967	QEROWQKDLKOZBU-GOSISDBHSA-N	411.546	3.870	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@H](c4cccc(OC(F)F)c4)C3)cc2)CC1	775734005	XTZKKFSYADUXHF-QFIPXVFZSA-N	417.500	3.613	10	20	HHCD	
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCc2ccc(N(CC)CC)cc2)CC1	777453059	KTRNVANBMQMERC-QGZVFWFLSA-N	404.555	3.589	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)ccnc2Cl)cc1	777972040	OPBYLRIVROIECD-UHFFFAOYSA-N	400.331	3.808	10	20	HHCD	
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc(O)c(O)c1	778924550	XLBAUKLBUFJTFN-VIFPVBQESA-N	400.656	3.597	10	20	HHCD	
COC(=O)c1cc2c(CN(C)c3cc(OC)c(OC)c(OC)c3)ccc(OC)c2o1	780775002	RIGPEGINWKYLRV-UHFFFAOYSA-N	415.442	3.890	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2ccn(C)n2)c(C)n1-c1ccc(F)c(Cl)c1	782385467	DANZSHHSUBGCEC-UHFFFAOYSA-N	403.841	3.589	10	20	HHCD	
CC(C)Oc1ccccc1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	786855778	DYOOAZZYLYKZFY-UHFFFAOYSA-N	423.557	3.739	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	788921642	VGTLPTMIYHRKNF-FBKNVZDASA-N	409.574	3.576	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OCC4CC4)cc3)SC2=S)cc1	790107741	JZNONOJNZPFHLD-WOJGMQOQSA-N	410.520	3.980	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1nnn(Cc2ccc(F)cc2F)c1C	790771393	FSPKGXGRFMVNNP-UHFFFAOYSA-N	400.429	3.671	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1ccc(F)cc1	791245989	IHAMUNKWJLDUEA-UHFFFAOYSA-N	402.466	3.593	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCN(Cc2ccccc2)C1	792035614	NBNBKGNVFPMXFH-QFIPXVFZSA-N	424.614	3.561	10	20	HHCD	
Cc1ccc(O)c([C@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)c1	797037010	UZGZOUWKQHTQRH-LBPRGKRZSA-N	403.331	3.637	10	20	HHCD	
CC(C)n1cc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1	798270342	NHOXYFSGBYAFHC-FQEVSTJZSA-N	401.555	3.886	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(O)(C(F)F)CC3)cc2Cl)C1	800721250	YVSOBPUJMGFFHP-CQSZACIVSA-N	415.912	3.878	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@H](OC)C1	802440597	UFMYPUGHEKAATI-VGOFRKELSA-N	423.561	3.860	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1Cl	803663364	XESBOTIGVWXZKO-IBGZPJMESA-N	405.901	3.675	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1c(Cl)ccc(F)c1F	804957012	LRZGSQBPOXIMKB-UHFFFAOYSA-N	418.918	3.650	10	20	HHCD	
COC(OC)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1	806950298	QNYWDMOMRCEOAS-ZDUSSCGKSA-N	410.417	3.571	10	20	HHCD	
Cc1ccc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1C	807291632	GGVVJCZQEDRCQT-QHCPKHFHSA-N	403.526	3.660	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(C4CC4)n3Cc3ccccc3)CC2)cc1	812053188	DKMFKRWUMFQFHQ-UHFFFAOYSA-N	403.530	3.929	10	20	HHCD	
CC(C)Oc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	857455309	ABRFLFOYQREHEE-HNNXBMFYSA-N	405.445	3.869	10	20	HHCD	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)n2)cc1C	914790208	JSJYTFWQVCIZRC-UHFFFAOYSA-N	415.540	3.943	10	20	HHCD	
CC(C)(C)c1nnc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1	917252861	UJWLBIDJRDTXHT-UHFFFAOYSA-N	421.478	3.873	10	20	HHCD	
COc1cccc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)c1OC	917383378	DIIMOCYGSJHQHV-UHFFFAOYSA-N	400.544	3.506	10	20	HHCD	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)Nc4ccc(S(N)(=O)=O)cc43)c2C)cc1	917621732	CNLITAVEHRFZLG-JAIQZWGSSA-N	407.495	3.543	10	20	HHCD	
Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	917711083	PZZITNJCFOLLFR-FGTMMUONSA-N	400.494	3.831	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c(C)n1-c1ccc(Cl)cc1	918104826	JYVALCAUCFABRI-UHFFFAOYSA-N	422.916	3.936	10	20	HHCD	
CCn1c(S)nc2cc(C(=O)Nc3cccc(N4CCCCC4)c3)ccc2c1=O	919823495	HBRFVDUUJANLRJ-UHFFFAOYSA-N	408.527	3.948	10	20	HHCD	
CCCCCOc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1	919841063	WYHFUSHLACCPIU-UHFFFAOYSA-N	416.543	3.743	10	20	HHCD	
C[C@H](NC(=O)NCc1csc(Br)c1)c1ccc(N2CCOCC2)cc1	920866870	NJNMPPACRFUZSE-ZDUSSCGKSA-N	424.364	3.908	10	20	HHCD	
CCOc1ccc(OC(C)(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	920880755	GFUHFNUFMHBBRZ-SFHVURJKSA-N	412.530	3.957	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C(=O)NCc3ccco3)C(C)C)sc2n1	924237149	QUPSZXCPAOWUOW-MRXNPFEDSA-N	401.488	3.586	10	20	HHCD	
Cc1ccccc1OCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	1317942949	XXFKYGSZOGWHAX-UHFFFAOYSA-N	422.447	3.936	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)S(=O)(=O)Cc3ccccc3)c2C)cc1	1321762302	OVNBTTZALCTKAE-UHFFFAOYSA-N	412.511	3.705	10	20	HHCD	
COc1ccc(N2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1	52511619	MVWIOFGCSCYREO-UHFFFAOYSA-N	400.486	3.541	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(N2CCOCC2)cc1	65434064	RMBOUVXEENQLST-HRAATJIYSA-N	413.493	3.936	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2O)c1)c1ccccc1	97496530	GDVPOVQNKFSHOD-QGZVFWFLSA-N	424.522	3.704	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)cc1	110359979	XLFWGRIZFYRTJE-UHFFFAOYSA-N	419.529	3.562	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccccc3SCC(=O)N3CCCC3)ccc21	116153855	UTGAQDVACBGRLX-UHFFFAOYSA-N	423.582	3.714	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)n(C)c2ccccc12	503468761	LDLBZXRVXYOXGV-FPTDNZKUSA-N	407.489	3.682	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)CC2)cc1	726561408	UKXHPOBUFKCWRR-UHFFFAOYSA-N	416.525	3.768	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C(=O)c3ccc(Cl)cc3)cc2F)C[C@H](C)O1	727091671	KXJVLERUNRTKKK-KBPBESRZSA-N	404.869	3.592	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@H](C)NC(=O)C2CCCC2)c(C)n1-c1ccccc1	727199152	CNNGEOHFVOYQOD-INIZCTEOSA-N	410.514	3.905	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2Oc2ccccc2)cc1	727945601	XKLZMXNHTXUSID-UHFFFAOYSA-N	407.445	3.939	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1	728597910	VYIQJHFMFJJLFS-UHFFFAOYSA-N	403.473	3.578	10	20	HHCD	
Cc1nn(CN(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c(=O)c2ccccc12	728904878	XEGPFCKXZZQPFO-UHFFFAOYSA-N	404.436	3.793	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccoc3COc3ccc(C=O)cc3)ccc21	731623311	UBMJZDKLOXRXDF-UHFFFAOYSA-N	404.466	3.984	10	20	HHCD	
Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)c2)c1	732479717	OTAAIEVFAKLFHT-UHFFFAOYSA-N	417.509	3.895	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(N(C)C)cc2C)c([N+](=O)[O-])c1	734482668	SHLNOVBQXOHELT-UHFFFAOYSA-N	420.535	3.612	10	20	HHCD	
CC(C)(C)OC(=O)NC1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	740917166	IQQQFDAKKWNOPO-UHFFFAOYSA-N	414.550	3.698	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	741678573	VNZDKASUUUMOJF-MRXNPFEDSA-N	414.506	3.909	10	20	HHCD	
O=C(CCn1cnc2ccccc21)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742798527	PHGBAYXXOXCBSF-INIZCTEOSA-N	414.456	3.813	10	20	HHCD	
CCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	745937328	FXVDRRMPJDMRTH-UHFFFAOYSA-N	420.550	3.828	10	20	HHCD	
COCCN(CC(=O)Nc1ccc(Br)cc1)c1ccc(OC)c(OC)c1	746474080	ACLVVODTSNIMCV-UHFFFAOYSA-N	423.307	3.558	10	20	HHCD	
O=C1/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)NC(=S)N1C1CCCCC1	747187662	KKQLUWJZSXNXMH-LGMDPLHJSA-N	414.531	3.975	10	20	HHCD	
CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)NCc1ccccc1O	748949428	WUGPDEZJLISHDA-UHFFFAOYSA-N	417.531	3.667	10	20	HHCD	
CN(Cc1ccc([S@@](C)=O)cc1)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	749968014	ZZBXEMJGPJKCPC-GDLZYMKVSA-N	409.507	3.698	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(N(C)C)n1	750423694	JYDCQXRXBAJQAR-HZPDHXFCSA-N	415.513	3.530	10	20	HHCD	
CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C12CCCCC2	750637033	JDMIPZIXBIMNIH-SFTDATJTSA-N	419.541	3.589	10	20	HHCD	
CN(CCOCC1CC1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	755623842	PXUKYYMDVINPMG-FOWTUZBSSA-N	424.613	3.615	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)cc1	756457974	IQQKEYRZJYAXFJ-QGZVFWFLSA-N	416.587	3.950	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2cc(Br)cc(F)c2O)c1	756587498	ANRYRIYOEXXXMD-QGHHPUGFSA-N	414.271	3.695	10	20	HHCD	
CC(=O)Nc1cccc(OCCN[C@H](C)c2cc(Br)cc(F)c2O)c1	756683403	RFCYWBWMUGEXMG-LLVKDONJSA-N	411.271	3.982	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C(F)(F)c3c(F)cccc3F)CC2)cc1F	757051284	AYANKEYWDYQTTJ-UHFFFAOYSA-N	400.347	3.553	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1	759695121	PXAQRYRDOAVFCJ-PNDGYVOYSA-N	416.493	3.674	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(OCC(F)F)nc2)cc1	761576430	ZIYASORSTRLPFO-LJQANCHMSA-N	419.472	3.613	10	20	HHCD	
CC[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H](O)C(F)(F)F	765888958	OYOCYUCNOMXBRT-JKSUJKDBSA-N	408.380	3.859	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ncnc3c2cnn3C(C)(C)C)cc1	766424499	YKEXPGKKIBJTNZ-IBGZPJMESA-N	408.550	3.833	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-c4ncco4)cc3)cc2)CC1	766574196	OWSZHMTZKSALIP-UHFFFAOYSA-N	418.497	3.833	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Br)c([N+](=O)[O-])c1	768208036	MFGKONBONUGCGC-UHFFFAOYSA-N	420.307	3.826	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCOc2ccccc21	768915955	OIZZTWCFTJNGMA-IEBWSBKVSA-N	400.906	3.693	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(c2cccc(F)c2)CC1	768916507	RSCKTVGLIXLKSU-LJQANCHMSA-N	402.897	3.997	10	20	HHCD	
COc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2cccnc12	768971220	ILFOSPQECIPEQI-UHFFFAOYSA-N	406.486	3.744	10	20	HHCD	
Cn1c(SCC(=O)NCc2c(O)ccc3c2CCCC3)nnc1-c1cccs1	769560471	JNUOOOUVHHAFML-UHFFFAOYSA-N	414.556	3.537	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cn1	769665344	ASYXGESNODZZIA-UHFFFAOYSA-N	417.512	3.718	10	20	HHCD	
CC(C)c1ccc([C@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	770135286	ZYUVKYLXBPBALU-LJQANCHMSA-N	402.516	3.864	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](OC(C)C)c2ccccc2OC)c1	770491606	CYPGSGOUMWEJED-QVKFZJNVSA-N	402.491	3.936	10	20	HHCD	
C[C@@H]1CN(c2ccnc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)C[C@@H](C)O1	772376902	KFUNHHLMBLOOAE-QZTJIDSGSA-N	421.497	3.836	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(C)(C)S(=O)(=O)CC3)c2C)c1	773663923	GZUUAPLIYGJNJI-UHFFFAOYSA-N	402.560	3.750	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1	774923337	JVTPJTWFPATLCA-ZIAGYGMSSA-N	407.436	3.826	10	20	HHCD	
O=C(c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1)N1CCOCC1	775180340	LMLRLTHEUBODCH-UHFFFAOYSA-N	424.501	3.670	10	20	HHCD	
COC(=O)c1ccc(OCCN[C@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1	775253780	FECUHEWJPVBARW-MRXNPFEDSA-N	418.921	3.693	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)c(Br)c2)c(C)c(C)c1O	775291234	GLLPVEQZHNEQQL-UHFFFAOYSA-N	414.277	3.579	10	20	HHCD	
CN1CCC[C@@H](CN(C)Cc2cc(Br)cc(Br)c2O)C1	775653247	BCXGFAIBXGJJED-LLVKDONJSA-N	406.162	3.691	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC[C@H]1CN1CCCC1	775664990	UNQCQQQSGFSSIU-AWEZNQCLSA-N	418.173	3.977	10	20	HHCD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C	775770794	ICVDDSXEVKXROA-JEBQAFNWSA-N	411.493	3.616	10	20	HHCD	
C[C@@H](NC(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776238209	LVDPURYYCDEANV-VQIMIIECSA-N	404.555	3.855	10	20	HHCD	
C[C@@H](CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cc1	776332151	FXQNZCMJSZXQKP-SFHVURJKSA-N	423.511	3.975	10	20	HHCD	
COc1cc(Br)cc(CNCc2nc3cc(Cl)ccc3n2C)c1O	778201467	IIYWUMZFBIRZAG-UHFFFAOYSA-N	410.699	3.993	10	20	HHCD	
Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3ccc(O)c(O)c3)[C@@H]2c2cccs2)cc1	778925172	IHZLIQYIXWCNNE-VGOFRKELSA-N	422.506	3.878	10	20	HHCD	
COc1cc(CNCc2ccc(N(C)C)cc2C)c([N+](=O)[O-])cc1OCC(F)F	779078681	UWVMNDNPFSGGJI-UHFFFAOYSA-N	409.433	3.912	10	20	HHCD	
O=C(Nc1csc2ccccc12)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	779149956	RGZWFNXQDVBFLU-MRXNPFEDSA-N	410.495	3.753	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1	780310539	KXARVZKEQGKCHK-VQIMIIECSA-N	401.473	3.816	10	20	HHCD	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	780821668	SNRZSLQKCUWTGS-DZGCQCFKSA-N	417.447	3.659	10	20	HHCD	
Cc1c(Br)ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1F	789744826	SDOKWQDVIBVBCF-GFCCVEGCSA-N	422.298	3.779	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H]3CCC4(CCCCC4)O3)CC2)cc1	790283004	BRKOYFDXLLVXRY-OAQYLSRUSA-N	401.551	3.845	10	20	HHCD	
COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(O)cc1SC	792703044	PGEHDDDFABGMDD-UHFFFAOYSA-N	421.418	3.720	10	20	HHCD	
COc1ccc(CNCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)c(O)c1	793388094	LQOGTLYUIQICSH-UHFFFAOYSA-N	401.463	3.971	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1	793543056	UCCFLLXCZUUNNE-JOCHJYFZSA-N	411.521	3.864	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc2c(c1)OCO2	794237961	GHAZXWSIMCLXSJ-OAGGEKHMSA-N	414.477	3.588	10	20	HHCD	
COC(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1	800050290	RQBPKKOWQDECOU-CQSZACIVSA-N	401.894	3.688	10	20	HHCD	
CCn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	801949082	LMGSZUSZMSZHMF-UHFFFAOYSA-N	409.509	3.501	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C2CCCCC2)nn1C	802610289	YRTLQDXSWWMQNT-UHFFFAOYSA-N	412.534	3.941	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCC1	804342248	HAJSHOVXRJYOBC-UHFFFAOYSA-N	413.949	3.603	10	20	HHCD	
Cc1ccccc1[C@@H](NC(=O)C(=O)NCCCSc1nccs1)C(C)(C)C	806275971	BDWSNCJASLALBU-MRXNPFEDSA-N	405.589	3.954	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1	806901229	VPIPHQJBPIBROA-UHFFFAOYSA-N	418.469	3.863	10	20	HHCD	
CCc1cc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)ccc1F	807022474	HHGQKTPVSAWCLE-UHFFFAOYSA-N	423.282	3.843	10	20	HHCD	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(Cl)cc(Cl)c1O	807837976	IBWPSUDBDSDOTL-SFHVURJKSA-N	420.296	3.544	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@H]2CCCS(=O)(=O)C2)cc1	809244084	AZPGURSOVHMFSG-MRXNPFEDSA-N	414.531	3.723	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1(C(F)F)CCCC1	812006530	WBAFEARCOLBPOW-UHFFFAOYSA-N	421.410	3.919	10	20	HHCD	
C[C@@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N2CCOCC2)cc1Cl	812740017	KOXOPVBROMXPJT-CVEARBPZSA-N	417.912	3.772	10	20	HHCD	
CNC(=O)c1ccc(CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C2CC2)cc1	914847977	SFKKZTCIQGNWCK-UHFFFAOYSA-N	402.498	3.654	10	20	HHCD	
O=C(NCc1cnn(Cc2ccccc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916579486	DUQUIAIZDFGEKP-QFIPXVFZSA-N	420.513	3.528	10	20	HHCD	
COc1cc(OC)c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC	916827156	HZILIJIXOAPUEC-UHFFFAOYSA-N	417.417	3.740	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC)cc2C(F)(F)F)cc1	918435042	YWGXLLCHBUQGCR-UHFFFAOYSA-N	423.435	3.815	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3cccnc3-n3ccnc3C)c2C)cc1	919695766	CVACWQGTSTZQKT-UHFFFAOYSA-N	415.497	3.922	10	20	HHCD	
C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC(F)F)cc1	920866443	CMNLRECCXLHUJU-HZPDHXFCSA-N	419.472	3.802	10	20	HHCD	
CC(C)n1ncc2c1[C@H](NC(=O)NCc1cccc(Br)c1O)CCC2	1255867036	DBYILZANTDANJS-OAHLLOKOSA-N	407.312	3.809	10	20	HHCD	
Cc1cccc(N2N=C(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CCC2=O)c1	1317794086	MAYBGEAAJKOWPB-UHFFFAOYSA-N	404.514	3.735	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2ccc(C)o2)s1	1320691971	HDJLWBGIHLCVPB-AWEZNQCLSA-N	415.467	3.632	10	20	HHCD	
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N(C)C)cc1	8171093	QPLLNWGIGMMFQA-HXUWFJFHSA-N	401.938	3.867	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1	10350254	FUSUMDRYZXCNDW-UHFFFAOYSA-N	406.511	3.710	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	27962898	GNHSWZNLBLZOII-UHFFFAOYSA-N	418.559	3.523	10	20	HHCD	
CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)CC1	216476980	QLUOIIJYIMKTJF-LJQANCHMSA-N	424.541	3.757	10	20	HHCD	
CCOc1cccc(CN[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)c1O	236922209	DRZHXHZODRRJTN-KRWDZBQOSA-N	401.526	3.923	10	20	HHCD	
Cc1c(CNC(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)n(C)c2ccccc12	471731950	QHTGLWCTNVCGSV-GOSISDBHSA-N	420.557	3.707	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)n(C)c2ccccc12	497406667	QDNLUYHRUGYMPY-UHFFFAOYSA-N	409.465	3.867	10	20	HHCD	
CCN1CCN(c2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2)CC1	726445186	MYFSFYZTSDGVBJ-UHFFFAOYSA-N	411.619	3.641	10	20	HHCD	
CCCCN(C)CC1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1	726713040	JJWQDMXJJXIGQF-UHFFFAOYSA-N	416.610	3.818	10	20	HHCD	
COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCc1ccccc1	726876450	RXWVYYSKODCOFJ-ZHZULCJRSA-N	400.434	3.736	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1	727177114	BXMZHQUVRNBKMS-JYRVWZFOSA-N	410.929	3.544	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(-c2cccc(Br)c2)c1	730207166	KDMDRXQEEQAURJ-UHFFFAOYSA-N	413.319	3.973	10	20	HHCD	
COCCN(C(C)=O)c1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)cs1	733841657	GJNZMJVBVVRIOI-UHFFFAOYSA-N	404.580	3.619	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C/c2occc2Br)SC1=S	735305155	RDHPYVNZXCLZJI-FLIBITNWSA-N	404.307	3.888	10	20	HHCD	
CCOC(=O)N1[C@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)CC[C@H]1c1ccc(C)o1	736674910	WQBKRFJOGYIECP-JLSDUUJJSA-N	416.474	3.842	10	20	HHCD	
COC(=O)COc1ccc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	742415971	GJBORNLTDCKASH-UHFFFAOYSA-N	410.514	3.937	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1ccc(F)c(Br)c1	743345725	XFNMMTMVDWYQMK-UHFFFAOYSA-N	411.343	3.505	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cc3occc3[nH]2)NC(=O)OC(C)(C)C)cc1	750889393	AAOIULHZJWLCKO-GOSISDBHSA-N	412.490	3.823	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)N(C)Cc2nc[nH]n2)c(C)n1-c1ccc(OC(F)F)cc1	751475506	LLPIRCFUUWSVFN-CQSZACIVSA-N	403.433	3.517	10	20	HHCD	
CC[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nc(C)cs1	754325393	ZEOMTNSVPATONL-IBGZPJMESA-N	419.506	3.906	10	20	HHCD	
Cc1nccc(NCc2cccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2)n1	755042947	GHJAGTHMOSWNSY-UHFFFAOYSA-N	401.514	3.927	10	20	HHCD	
Cc1ccc([C@@H](C)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)c1C	756687388	MBJDZLGSAQBPPD-GOSISDBHSA-N	402.560	3.761	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C/c3ccc4[nH]ccc4c3)CC2)cc(OC)c1OC	759223680	USPKYDLUHVOFBS-FNORWQNLSA-N	421.497	3.556	10	20	HHCD	
C[C@]1(c2ccccc2)CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1	759726130	CVEAEBTWUZZIDI-HSZRJFAPSA-N	411.571	3.697	10	20	HHCD	
CCCCCn1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c(C)n1	762000567	LVGBFEDXHPZXBL-UHFFFAOYSA-N	404.898	3.705	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	763578390	KCVBXWYFKUPMJG-IBGZPJMESA-N	401.551	3.714	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(Br)n3)cc2F)C[C@H](C)O1	765472449	QWQKBSHJVBNNMP-STQMWFEESA-N	422.298	3.527	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)CC2)cc1	765638728	OIASRWMKCSIEED-NLFFAJNJSA-N	409.574	3.543	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)cc1	766366713	XPESOTJUFAOCFP-CQSZACIVSA-N	421.310	3.845	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(F)cc4cccnc34)cc2F)CC1	767360851	LEXPRYYKLDYTJP-UHFFFAOYSA-N	410.468	3.585	10	20	HHCD	
COc1cc(O)c(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC	768268898	JTMCLPGUXGVQDL-LZYBPNLTSA-N	417.464	3.513	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)Cc3cc(C)ccc3F)cc2F)CC1	770536379	MUZTUFBQOVRDMY-UHFFFAOYSA-N	416.516	3.757	10	20	HHCD	
COCCN(C)CCCC1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	773621469	AEKGHQLLWLOIHT-IBGZPJMESA-N	404.599	3.594	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1	773741960	NRIUZNAOVKBLHM-SECBINFHSA-N	403.328	3.662	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1	773743326	CGKKQKHTWVJHJV-RYUDHWBXSA-N	410.283	3.925	10	20	HHCD	
C[C@H](NC[C@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	775261336	VHBQJGRYMVSXOH-HRAATJIYSA-N	408.464	3.796	10	20	HHCD	
COc1ccccc1CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@@H]1CCCO1	775656461	HEWQFRHAQFDEIE-DEOSSOPVSA-N	409.574	3.628	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)CC2)cc1	777015489	XOLMADNTFZWCHZ-SFTDATJTSA-N	408.464	3.788	10	20	HHCD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1(C)C	780397623	NZJOHHNQWDAVAF-KONPQCLYSA-N	404.526	3.697	10	20	HHCD	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)OCC(=O)c1ccc(O)c(O)c1	784197695	HUCCNDAFTPKOCQ-JTQLQIEISA-N	411.223	3.604	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2c(F)cccc2F)C2CCCC2)cc1	785432731	IABHGLREHANIFF-UHFFFAOYSA-N	415.484	3.618	10	20	HHCD	
C[C@@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C(=O)OC(C)(C)C	786165104	KONJMWPQIQJUAQ-OXQOHEQNSA-N	401.551	3.889	10	20	HHCD	
CCOc1ccc(CNC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	787191326	DZKSHSSSRMLJCZ-UHFFFAOYSA-N	423.557	3.787	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cccc(OC(F)F)c1	787862338	IJFLXHODYIBSCN-OAHLLOKOSA-N	420.456	4.000	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1n[nH]c2c1CCCCC2	788779386	CIEKSQMKGJDBQC-UHFFFAOYSA-N	404.461	3.679	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(Nc2cccc(Br)c2)CC1	790214780	GUMJGRGWRZMXQQ-FNORWQNLSA-N	417.303	3.977	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(O)c1	793019107	KCUIBCFYXKPSIS-HNNXBMFYSA-N	420.469	3.609	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCSCC2)cc1	799235396	YDWFFWYGSXZSAR-UHFFFAOYSA-N	416.503	3.868	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCCNC(=O)/C=C\c2ccccc2)C2CC2)cc1	800761720	UWSRTVJABPVFJV-WJDWOHSUSA-N	420.557	3.646	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(-c4nc(O)n[nH]4)c3)c2C)cc1	803408259	BMGUIANLRHXGFJ-UHFFFAOYSA-N	403.442	3.846	10	20	HHCD	
COc1cc(C(=O)OCC(=O)C(C)=O)ccc1OCc1ccc(Cl)cc1Cl	808483387	KGRPPJHGLVVREM-UHFFFAOYSA-N	411.237	3.896	10	20	HHCD	
CN(C)S(=O)(=O)c1ccc(NNC(=S)Nc2ccc(Cl)cc2Cl)cc1	812261332	KQUIFMSXTBKEIH-UHFFFAOYSA-N	419.359	3.557	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1	813787929	QZPZPYQMBHPGJX-FQEVSTJZSA-N	419.541	3.542	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)oc1C	814283518	HBGGERUGBWZGNS-GZTJUZNOSA-N	417.508	3.827	10	20	HHCD	
CCc1ccc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1	914702897	CVVHUXAFOSTNAF-UHFFFAOYSA-N	403.451	3.856	10	20	HHCD	
O=C1c2ccccc2N[C@H](c2cc(O)cc(Br)c2O)N1CC(F)(F)F	917502559	ZFWPVLMCKAKQQT-AWEZNQCLSA-N	417.181	3.989	10	20	HHCD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1	918082080	YSABIIICAMPFNV-RDTXWAMCSA-N	401.482	3.503	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(N3CCCC3)cc2)cc1	1318346108	BGDVBMQUAVDFFP-UHFFFAOYSA-N	401.576	3.606	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@H](c4cccc(Cl)c4)C3)cc2F)CC1	1320413871	PYNQNMOADLYHMP-QFIPXVFZSA-N	403.929	3.804	10	20	HHCD	
Cc1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1C(=O)N(C)C(C)C	1320936469	BOPRFKAOELTXEE-UHFFFAOYSA-N	412.553	3.978	10	20	HHCD	
CC1(C)CCc2nc(O)c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2C1	1334727437	GUANLYATUVZCOH-SFHVURJKSA-N	410.514	3.829	10	20	HHCD	
O=C(CCC(F)(F)F)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788426489	LULBMABNYCXBAS-UHFFFAOYSA-N	423.391	3.583	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C1(c2cccc(Br)c2)CC1	108809422	HPKJPKVZGBBNRQ-UHFFFAOYSA-N	415.331	3.634	10	20	HHCD	
CN(c1ccc(CNC(=O)CCNC(=O)OCC(F)(F)F)cc1)C1CCCCC1	60157389	UDDNWCAHSYEXNW-UHFFFAOYSA-N	415.456	3.750	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3ccc(NC(C)=O)cc3)ccc21	504790425	SOQAQLYSDBFGAQ-UHFFFAOYSA-N	407.514	3.835	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(OC(F)(F)F)cc1	96970952	YXSOXKQSKMPWMG-GOSISDBHSA-N	424.419	3.911	10	20	HHCD	
CCN(CC)c1ccc(CNC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1	236958434	WAECOMRWQUJMMI-UHFFFAOYSA-N	415.603	3.617	10	20	HHCD	
CC[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(C)cc1O	800989727	IMFPXTKXTNRVFF-MRXNPFEDSA-N	400.903	3.512	10	20	HHCD	
Cc1cccc([C@@H](NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ccccn2)c1	807670320	CXYWVARTWWRCGB-WZONZLPQSA-N	416.525	3.539	10	20	HHCD	
Cc1cccc([C@H](C)CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	805026423	NDNMNUQSDZVXJZ-HXUWFJFHSA-N	407.558	3.767	10	20	HHCD	
COc1cc(N2CCN(C(=O)NC(C3CCC3)C3CCC3)CC2)cc(OC)c1OC	805856740	ACIWJCHPRZXWNE-UHFFFAOYSA-N	417.550	3.513	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1	801549991	KLZAMMMFRZLXCK-UHFFFAOYSA-N	419.407	3.829	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(F)c3Cl)cc2)C1	806768972	BHYWHOIWALAFPM-AWEZNQCLSA-N	404.873	3.503	10	20	HHCD	
CC(F)(F)c1cccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1	807385489	LOFLIHUYMLFXEU-UHFFFAOYSA-N	413.218	3.521	10	20	HHCD	
Cc1cnc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1	803676822	RSKAFVVMZMCLBD-INIZCTEOSA-N	414.575	3.714	10	20	HHCD	
CSCC[C@H](N[C@@H](C)c1cc(Br)cc(Cl)c1O)C(=O)N(C)C	806661644	AZLQWUZKRUCRIQ-ZANVPECISA-N	409.777	3.669	10	20	HHCD	
O=c1c(Cl)c(NCc2c(O)ccc3c2CCCC3)cnn1-c1nc2ccccc2[nH]1	811809053	WMCAVAYINIRYHG-UHFFFAOYSA-N	421.888	3.959	10	20	HHCD	
NC(=O)c1ccc(OCC(F)F)c(NCc2cccc(Br)c2O)c1	810181159	VSOAKEVOGJPUJO-UHFFFAOYSA-N	401.207	3.510	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)cc1)C1CCCCC1	816907984	NKPJKRWVCDGABI-SANMLTNESA-N	419.569	3.920	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCN([C@@H](C)c4ccccc4)C3)CC2)cc1	726612654	JBSDLUXUFIAUEZ-UGKGYDQZSA-N	422.573	3.799	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(Cl)ccc2I)c1O	727762993	VGMMNNZQRBQOIJ-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@H](c4cccc(F)c4)C3)CC2)cc1	727604156	GNMLWJSDYVWTPU-QFIPXVFZSA-N	413.493	3.586	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	725858387	PIEHNCVNNWEIFG-WMZOPIPTSA-N	404.555	3.587	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(CN4CCCCC4=O)cc3)CC2)cc1	726563416	KRPYSIQXXSUNHS-UHFFFAOYSA-N	421.541	3.607	10	20	HHCD	
Cc1cc(CC(=O)NCCc2cccc(C(N)=O)c2)c(C)n1-c1ccc(Cl)cc1	726568890	OKNDDANGMHBVCT-UHFFFAOYSA-N	409.917	3.748	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(NC2CC2)nc1	726567566	QSGYNBGNCMZDHL-UHFFFAOYSA-N	402.445	3.656	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1F	731347141	MQHQSMVWGPGRQV-CALCHBBNSA-N	414.525	3.611	10	20	HHCD	
CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	735517061	GYXGCEPDJFIMDP-OAQYLSRUSA-N	410.514	3.696	10	20	HHCD	
CS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	735378264	BSFAOCIUEIDECB-CYGHRXIMSA-N	409.571	3.913	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(S(=O)(=O)c2ccccc2)CC1	731340780	LRRHTHXHIDZBNX-UHFFFAOYSA-N	412.555	3.642	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(C(=O)NCc2ccco2)c1	917954909	FVYOKCNTCRBTAW-UHFFFAOYSA-N	419.525	3.678	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1cccnc1	914046680	WAFPLYNBOVTJIC-GDNBJRDFSA-N	404.538	3.868	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1	742807631	NOZCXBSMHIZCPR-QZTJIDSGSA-N	410.514	3.521	10	20	HHCD	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	918545070	FYMNJUUWQWPBJV-UHFFFAOYSA-N	424.545	3.634	10	20	HHCD	
Cc1cc(C(=O)NCCNC(=O)C(C)(C)C)c(C)n1-c1ccccc1Br	749628909	QSPABOTUZOWMSY-UHFFFAOYSA-N	420.351	3.749	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1	918126938	HNOCCTDAUKGDDA-UHFFFAOYSA-N	400.479	3.791	10	20	HHCD	
CCOC[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745906081	VSZZYFSJWLUJNI-SJORKVTESA-N	411.493	3.715	10	20	HHCD	
CN(C)c1ccc(CN(CN2C(=O)c3ccc(F)cc3C2=O)CC(F)(F)F)cc1	749017977	QUGPBQUBJWUHRV-UHFFFAOYSA-N	409.383	3.510	10	20	HHCD	
O=S(=O)(Cc1ccc(F)c(Cl)c1)NCc1ccc(N2CCSCC2)cc1	755940631	KBWLGTBGNJFLSK-UHFFFAOYSA-N	414.955	3.652	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccn(-c2ccc(Cl)cc2)n1	756889163	HQHPBXXFJWHRSO-UHFFFAOYSA-N	410.905	3.635	10	20	HHCD	
CN(CC(=O)NCC1(c2ccccc2)CCCC1)Cc1ccc(N2CCOCC2)cc1	857759026	XJMMBOHTZDYTQV-UHFFFAOYSA-N	421.585	3.583	10	20	HHCD	
Cc1ccc(OC(F)F)c(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	756933751	WAINLUHWXYTMLM-MRXNPFEDSA-N	419.472	3.993	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC2CCS(=O)(=O)CC2)cc1	756377251	ZWKWCOGUUQPUMR-UHFFFAOYSA-N	414.531	3.723	10	20	HHCD	
Cc1ccc(F)c(OCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	857472759	NTJBGKBOEWZFDK-QGZVFWFLSA-N	406.885	3.653	10	20	HHCD	
COC(=O)c1cc(F)ccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	758319570	LATLNWUKPKAELL-UHFFFAOYSA-N	421.490	3.842	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc2ccccc2c1O	756415875	LDRCYVLKFKHPKG-GOSISDBHSA-N	403.526	3.784	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CO[C@@H]2CCOC2)c(C)n1-c1ccccc1Br	753785822	MHONZPZBORLTMX-CZUORRHYSA-N	421.335	3.780	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(N3CCCC3)nc2)SC1=S	758417838	XIPYNMPKXCBHBT-NTCAYCPXSA-N	405.545	3.528	10	20	HHCD	
Cc1cc(OCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc(C)c1Cl	765719655	SHZQEIAAESCEDD-UHFFFAOYSA-N	420.912	3.752	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1	764894071	CBPNJTIODMVSJS-NRFANRHFSA-N	408.608	3.873	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	760420542	HCWVUGBTEFNZND-RDTXWAMCSA-N	408.539	3.509	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3cc(OC)c(OC)cc3F)cc2F)CC1	765848728	IYZJOMHQOFHPQO-MRXNPFEDSA-N	419.516	3.975	10	20	HHCD	
CC(C)n1ncc2cc(S(=O)(=O)NCc3cccc(Br)c3O)ccc21	766200548	LZXOODIIKJHZGR-UHFFFAOYSA-N	424.320	3.564	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCOCC(F)(F)C(F)F	765646734	PVPLNTHBQLOTQW-UHFFFAOYSA-N	405.436	3.735	10	20	HHCD	
COc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl	767217717	ZDMUZMFFDZJXCY-KRWDZBQOSA-N	404.894	3.945	10	20	HHCD	
O=C(NC1CCC(O)(c2ccccc2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	761039583	CZNLWZWAOIWFDL-YGWFNULRSA-N	424.541	3.913	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)c1	761789666	HMYOTKDBTKKXMN-DDOIHHOZSA-N	411.546	3.918	10	20	HHCD	
CN(CCCNC(=S)Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1ccccc1	760502258	MCRRNIJOIKEFTG-UHFFFAOYSA-N	424.570	3.539	10	20	HHCD	
CC[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cnn(C)c1	777302700	RAXZFZREEOJQBB-WOJBJXKFSA-N	401.555	3.793	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCCN(c4ncccc4F)CC3)c2C)cc1	784757758	XOBSKPUHFXKNPQ-UHFFFAOYSA-N	422.504	3.989	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1	785296092	BMLFHVJDWDMZRN-CYBMUJFWSA-N	402.516	3.674	10	20	HHCD	
Cc1ccncc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	783003116	XQZXNSYCOBYWJO-CVEARBPZSA-N	413.477	3.843	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2scnc2C2CC2)cc1	782429174	LSXYLXNLNVFJNE-UHFFFAOYSA-N	424.526	3.847	10	20	HHCD	
COc1ccc2nc(/C=C3/SC(=S)N(C4CCN(C)CC4)C3=O)sc2c1	788678388	PZZWLJCIZHBUNL-XNTDXEJSSA-N	405.570	3.600	10	20	HHCD	
CO[C@H]1CCOc2c(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cccc21	790577401	QNIGTOQEDCZEBS-NRFANRHFSA-N	411.502	3.657	10	20	HHCD	
C[C@H](CN1CCOCC1)N(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	790135778	NBKLQIBGWMEVEF-GOSISDBHSA-N	409.534	3.961	10	20	HHCD	
CCc1nc2cc(NC(=O)N(CC(=O)O)Cc3cc(Cl)ccc3O)ccc2o1	797739715	QWRYNDSEPUQNKJ-UHFFFAOYSA-N	403.822	3.868	10	20	HHCD	
COC(=O)c1cccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1OC(C)C	799246630	MXSXIPXKFPUYOI-CYBMUJFWSA-N	402.447	3.857	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCCc4cn(C(C)C)nc43)CC2)cc1	1325552313	HDHSPCBEYBEIOY-NRFANRHFSA-N	411.550	3.818	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnc(OC(C)C)c(Cl)c3)CC2)cc1	1253442321	KBMHQTRBVKWENH-UHFFFAOYSA-N	403.910	3.883	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)c1	1255933256	IGGGXVOEDMYSKW-QGZVFWFLSA-N	408.951	3.787	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c2C)c1	14932835	IISUWDIHGSETRE-UHFFFAOYSA-N	400.482	3.911	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1	7098021	JGZJNHDEVNAZQP-UHFFFAOYSA-N	409.559	3.701	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1	8170965	RBVGBGQZIGTLCG-UHFFFAOYSA-N	401.919	3.667	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnn(C)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1	12851714	XGPVGTCZFDNGHI-UHFFFAOYSA-N	421.375	3.766	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1	18150620	ZFMFFMVTQPCDQJ-UHFFFAOYSA-N	417.509	3.933	10	20	HHCD	
CC(=O)NCC1CCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1	52848877	UZNODEKAEOBLSS-UHFFFAOYSA-N	419.928	3.917	10	20	HHCD	
CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2ccc3c(c2)CCO3)c1	237478209	HUHJMSMUKQAUJI-UHFFFAOYSA-N	410.495	3.502	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(c4ccccc4F)C3=O)cc2)CC1	303478519	ISRQLUHTIQNRGF-OAQYLSRUSA-N	424.520	3.667	10	20	HHCD	
COc1ccccc1[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1noc(C)n1	303640298	RXHBZAPFAAXRBG-NRFANRHFSA-N	417.469	3.709	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(OC)c(O)c3)SC2=S)c1	726628152	UYPXMGBDOBMOLZ-MFOYZWKCSA-N	403.481	3.824	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2	727246802	QIOKMTQCNBUCNE-UHFFFAOYSA-N	416.480	3.598	10	20	HHCD	
CCOc1cc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c([N+](=O)[O-])cc1OCC	729033313	JMHNTLKXBHFIDP-LBPRGKRZSA-N	419.434	3.989	10	20	HHCD	
NC(=O)[C@@H]1CCCN(CCCNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	729546478	MPJORKPINOHVBL-QGZVFWFLSA-N	408.506	3.811	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	729604519	CBHKLWLMPHCJPH-KRWDZBQOSA-N	422.545	3.823	10	20	HHCD	
COc1ccc(OC(C)C)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	730384180	ADPXLFOHVXZLLU-UHFFFAOYSA-N	417.481	3.780	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccc(NC(N)=O)cc3)cc2)CC1	731121314	QZGPKTQBHMSMOO-QGZVFWFLSA-N	409.534	3.974	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C2CC2)cc1	731165154	QRUWKWNVXQXPQU-OAQYLSRUSA-N	405.542	3.796	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2	731278674	KBBFICZSXVAFQM-UHFFFAOYSA-N	404.894	3.981	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c1C	731299927	ZNKYKUNCGKMUGQ-UHFFFAOYSA-N	416.480	3.598	10	20	HHCD	
O=C(Nc1ccc(OCC2CC2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	733662623	XSQDPCFNUOGMBT-UHFFFAOYSA-N	420.465	3.942	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN(C)C[C@H](C)O)sc(C)c1-c1ccccc1	741807118	UZQVSMNGHSOWKD-AWEZNQCLSA-N	404.532	3.541	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3ccccc3C(C)(C)C)CC2)cc1	742289098	VEFSAABUDFOJKA-UHFFFAOYSA-N	402.560	3.940	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc4ccn(C)c4c3)cc2F)CC1	743204789	KDWCDBJNEWPLLZ-UHFFFAOYSA-N	409.509	3.781	10	20	HHCD	
C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	743811672	AIJQVWNDEXPECB-QGZVFWFLSA-N	400.954	3.994	10	20	HHCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1	743870471	SQIKGNAWKVSNIP-QGZVFWFLSA-N	400.519	3.669	10	20	HHCD	
COC(=O)c1cc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)s1	749008031	RQDFZODNKLRCJS-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(F)ccc2I)cc1F	750733107	CDAKRGUYEHBBHW-UHFFFAOYSA-N	416.209	3.565	10	20	HHCD	
COCCCOc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	751011531	RNNHUMCRVULJDE-SFHVURJKSA-N	413.518	3.821	10	20	HHCD	
CN1CCc2cc(/C=C3\NC(=S)N(c4ccccc4C(F)(F)F)C3=O)ccc21	751522933	HMTCESPLCSSEJX-PTNGSMBKSA-N	403.429	3.960	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1)C1CCCCC1	753044870	BSTJYFBMPNXDSE-HXUWFJFHSA-N	407.562	3.929	10	20	HHCD	
Cc1cc(C(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)c(C)n1-c1ccccn1	755693429	YTVBOVOCXFUNKD-UHFFFAOYSA-N	400.486	3.735	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2ccccc2c1O	756570930	CHSGMIFYAFNBAP-KRWDZBQOSA-N	410.539	3.631	10	20	HHCD	
C[C@@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)ccc1O	756783608	GFEXPEROMARUFY-ZBFHGGJFSA-N	403.320	3.854	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ncc(Br)s1	756928817	YRJLIEWBJCGHID-ZDUSSCGKSA-N	410.381	3.965	10	20	HHCD	
COc1cc(N2CCN(C(=O)CCc3cccc(Cl)c3)CC2)cc(OC)c1OC	759222929	ZFFASUIZCAFGGN-UHFFFAOYSA-N	418.921	3.647	10	20	HHCD	
CC(C)(C)OC(=O)CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc2c(c1)OCO2	759888814	DWVLZLFJXNCERZ-WEVVVXLNSA-N	416.861	3.852	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C[C@](C)(c2ccccc2)C1=O	763308286	UCPKNGMTQBEREE-RUZDIDTESA-N	405.542	3.783	10	20	HHCD	
CCCNC(=O)CN1CCC(N[C@H](C)c2ccc(N3CCCCCC3)cc2)CC1	764897979	LGMHBSHAMVUXHK-HXUWFJFHSA-N	400.611	3.708	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H](O)c2ccccc2Cl)cc1	764938028	XOABCAHBBGZEGX-WIYYLYMNSA-N	402.922	3.647	10	20	HHCD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)NCc1cccc(Br)c1O)CCC2	765539136	XOCNDUAZEMMHME-HNNXBMFYSA-N	407.312	3.809	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C)c(-c2ncco2)c1	766337673	ZLNASMICWDICIP-UHFFFAOYSA-N	406.486	3.703	10	20	HHCD	
CCCCC[C@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	769035675	APTAWLZEKYACJB-CTNGQTDRSA-N	400.567	3.643	10	20	HHCD	
CC(C)(C)OC(=O)c1ccccc1OCCOC(=O)/C=C/c1ccc(O)c(O)c1	769117909	VEOIYKCNPYCYOJ-PKNBQFBNSA-N	400.427	3.689	10	20	HHCD	
CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(Cl)c2ccccc2c1O	774546015	FORCYAKRWOVGHK-NRFANRHFSA-N	409.873	3.536	10	20	HHCD	
Cn1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(-c2ccccc2)n1	779627108	JCTVBHLFPPSYNG-UHFFFAOYSA-N	419.529	3.618	10	20	HHCD	
O=C(COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc(O)c(O)c1	782074584	PJTPWXXDBXTIDM-JOCHJYFZSA-N	418.401	3.592	10	20	HHCD	
CC(C)Oc1c(F)cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1F	784641099	WCMAHGTWIRYPLW-UHFFFAOYSA-N	417.456	3.607	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1CCN(C(=O)OCC)CC1	802299995	OOKAUQXDVQNVSK-KRWDZBQOSA-N	405.539	3.961	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C[C@@H](C)S1(=O)=O	805395271	LDPHIRQFIBWUPM-RDTXWAMCSA-N	408.951	3.785	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(F)c(N2CCCNC2=O)c1	806804580	MVLAKYJRBSLNOI-UHFFFAOYSA-N	411.481	3.667	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)Cc3ccc(C(F)F)cc3)CC2)cc1	815010715	OEZYDRGTSIVMFC-UHFFFAOYSA-N	410.486	3.721	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1CCCS(=O)(=O)C1	815951489	GDRWWXSPHQRCCR-ROUUACIJSA-N	401.528	3.697	10	20	HHCD	
CCc1nc(-c2ccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cc2)n[nH]1	820006385	VVMVVHGLXIBFAP-UHFFFAOYSA-N	409.453	3.996	10	20	HHCD	
C[C@@H](OCc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857471985	DGNWWYOORSPNOS-FOIQADDNSA-N	420.912	3.871	10	20	HHCD	
CC(=O)NCCNC(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	915894630	LXSMROPDSZCBGS-SFHVURJKSA-N	422.451	3.617	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(O)(c3ccccc3)c3ccccc3)CC2)cc1	918369700	QURXYPPBAMSNFR-UHFFFAOYSA-N	416.521	3.670	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1	918433488	BHXWKZDMBIPVBG-UHFFFAOYSA-N	424.545	3.691	10	20	HHCD	
Cc1cc(C(=O)NCCc2cnn(C)c2)c(C)n1-c1cccc(Br)c1	918607932	TVORKFGTUJPOCI-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
COC(=O)N1CCC(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	920036269	LHIYDDQJEHVVHH-UHFFFAOYSA-N	403.910	3.637	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(Br)cc3F)CC2)cc1	1319603145	GFMSXKUGYUUAQS-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](CO)CC2CCOCC2)c(C)n1-c1ccc(Cl)cc1	1320876725	QGZDZRXRFMEIOD-GOSISDBHSA-N	404.938	3.903	10	20	HHCD	
O=C(/C=C/C1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1	1800718071	ANEVPJHAHLWJRH-ORIYUZMUSA-N	418.921	3.749	10	20	HHCD	
COc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c([N+](=O)[O-])c1	11437362	BVRFPPNJOYHUON-UHFFFAOYSA-N	423.425	3.806	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnn(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1	12851030	ATLLOSQFAVEPLU-UHFFFAOYSA-N	405.376	3.886	10	20	HHCD	
O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc(O)c(O)c1	28848994	JKABSRALFPXJQC-CYBMUJFWSA-N	417.512	3.572	10	20	HHCD	
CCOc1cccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	108443410	FTFGJNKJHYZQEK-IRXDYDNUSA-N	415.509	3.837	10	20	HHCD	
CCc1cccc(NC(=O)CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)c1	303313151	GEZBMSYVTAXTNZ-UHFFFAOYSA-N	400.498	3.672	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C3(NC(=O)OC(C)(C)C)CCCC3)CC2)cc1	727143144	OLDZNDBAFQXPHK-UHFFFAOYSA-N	417.550	3.571	10	20	HHCD	
CC(=O)N[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1c(F)cccc1F	727303897	XYOYDGAYCHDGSH-NRFANRHFSA-N	415.484	3.789	10	20	HHCD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)NCc1ccc(N2CCOCC2)c(F)c1	727708287	NQNYGMRQAIAFPQ-UHFFFAOYSA-N	401.869	3.656	10	20	HHCD	
COc1cccc(N2CC[C@@H](NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)c1	728300798	CHPIJZYDIBAHDT-LJQANCHMSA-N	410.518	3.962	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	729392490	PWQXDUWACONVND-GOSISDBHSA-N	412.534	3.818	10	20	HHCD	
CCCCN(C)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1	730680499	UXOKSDSLOACSKL-UHFFFAOYSA-N	408.546	3.560	10	20	HHCD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(CNCc3c(O)cccc3Cl)cc2)C1	733325095	WWSIAIWDOQDFJN-HNNXBMFYSA-N	408.951	3.756	10	20	HHCD	
C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)c1ccc(N2CCOCC2)cc1	733925721	SQBXAUSDVILMQQ-KRWDZBQOSA-N	407.514	3.822	10	20	HHCD	
COC(=O)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c(OC(F)F)c1	741068684	ZRQDYALPTYMNTH-UHFFFAOYSA-N	417.412	3.773	10	20	HHCD	
COc1ccccc1[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N1CCCC1	741075229	WNZQJEBGFSCPJS-HSZRJFAPSA-N	420.557	3.708	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc(C)c1F	742278685	QQFKQERTEYFFES-HZPDHXFCSA-N	424.513	3.674	10	20	HHCD	
Cc1ncc2c(n1)CC[C@H](NC(=O)NCc1ccc(N(C)C3CCCCC3)cc1)C2	742760433	QEUQXUJDMJSPLJ-FQEVSTJZSA-N	407.562	3.911	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOc2ccccc21	742800355	QNGHWIGYQFSZFY-HNAYVOBHSA-N	402.441	3.939	10	20	HHCD	
O=C(Nc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801866	TYZUPHJCJFOGGU-OAHLLOKOSA-N	423.847	3.665	10	20	HHCD	
O=C(Nc1cnn(CC2CC2)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	743238959	YOWFUZOSJYCYSF-UHFFFAOYSA-N	405.449	3.685	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	743706064	XWTFTURQTURGFX-OAHLLOKOSA-N	409.490	3.714	10	20	HHCD	
CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	745593666	TUTHSQCDKJTGEN-QHCPKHFHSA-N	424.614	3.656	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c1O	745794869	PUYKOEHVWWYFHY-NRFANRHFSA-N	416.481	3.876	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCN(c4ccc(C)cc4)C3)CC2)cc1	745795792	JAPGZKVIEUENPM-OAQYLSRUSA-N	422.573	3.941	10	20	HHCD	
C[C@H](CSCc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	746205901	HSAWKKFBUPVOKO-QGZVFWFLSA-N	416.562	3.973	10	20	HHCD	
O=C(NC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1	746751368	MYIWWDHVIYUDKP-QHCPKHFHSA-N	420.557	3.781	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OCC(F)F)cc2)cc1	748979677	CDESQMBDCXEXON-UHFFFAOYSA-N	419.472	3.774	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1)C1=S=CC=C1	749130248	HWYAGMKSLLNGER-UHFFFAOYSA-N	401.831	3.717	10	20	HHCD	
C[C@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1	750984543	SKHFEQXZUVKCRN-SQJMNOBHSA-N	422.617	3.696	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	751307025	UJKJSHPQPDHOEL-FDDCHVKYSA-N	407.558	3.711	10	20	HHCD	
C[C@H]1CCc2ccccc2N1C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751932625	VQSUIQVETGWLLO-HNNXBMFYSA-N	421.522	3.841	10	20	HHCD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	752151076	FPXHAEVVBKXOFS-IBGZPJMESA-N	408.502	3.848	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(-c2cnn(C)c2)oc1C	752807492	JHSFTGMOBVRFNC-UHFFFAOYSA-N	419.279	3.514	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(S(C)(=O)=O)cc1	753338029	BBVFJWWJVMDTLC-MRXNPFEDSA-N	413.495	3.721	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cccnc1I	757913376	WRJWVNCLQLJEDH-UHFFFAOYSA-N	421.282	3.607	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1F	758882164	RMMHYOMESIOKJG-XOBRGWDASA-N	421.875	3.520	10	20	HHCD	
O=[N+]([O-])c1ccccc1CS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	759027663	MTJRXRXNNIQLSZ-UHFFFAOYSA-N	404.488	3.965	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3oc4ccccc4c3C)CC2)cc(OC)c1OC	759220119	DSIMAAYHRCRALC-UHFFFAOYSA-N	410.470	3.729	10	20	HHCD	
CN1C(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)[C@H]1c1ccccc1	761635069	GUMBAQWJGJCGFS-PKOBYXMFSA-N	415.440	3.892	10	20	HHCD	
O=S(=O)(Nc1ccc(F)cc1)c1ccc(CNCc2ccc3c(c2)CCO3)cc1	761989815	AMCATFWUSLHOGL-UHFFFAOYSA-N	412.486	3.851	10	20	HHCD	
COc1cccc([C@H](CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)N(C)C)c1	764460020	AZFXPDQYMGIUIF-HXOBKFHXSA-N	401.526	3.624	10	20	HHCD	
C[C@H](NCC1(N2CCOCC2)CCCCC1)c1ccc(N2CCOCC2)cc1Cl	764564449	TUGDSICSWAJTRZ-IBGZPJMESA-N	422.013	3.862	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	765239234	FHCCJSMLRLAWOH-ZEYPLWLESA-N	409.530	3.804	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1OC(F)F	765251713	HNINPOZZGOSBHM-DOTOQJQBSA-N	403.473	3.841	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1F	765344191	XGNAZFPSIWCRBF-UHFFFAOYSA-N	412.215	3.794	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H](c1ccccc1)[C@H]1CCCO1	765478482	DMTXTYUILHSUPF-SJORKVTESA-N	405.292	3.874	10	20	HHCD	
C[C@H](NCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	765659749	BPGYVDINEXRLBS-INIZCTEOSA-N	407.530	3.712	10	20	HHCD	
CCc1c(C(=O)NCc2cccc(Br)c2O)cnn1Cc1ccccc1	765756159	KWARGULRVFMJCQ-UHFFFAOYSA-N	414.303	3.892	10	20	HHCD	
COc1ccc(NNC(=S)Nc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1	767694388	ZLADDTSMDJTRDY-UHFFFAOYSA-N	402.354	3.816	10	20	HHCD	
CCOc1cccc(CN2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1O	768191488	HSRATMGYODCLDG-UHFFFAOYSA-N	402.363	3.809	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCN(CCCc2nc(-c3cccs3)no2)CC1	768214986	LSEUFPJXFGAPHX-UHFFFAOYSA-N	418.950	3.908	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1SCC(=O)N1CCCC1	769562868	SHPQWRTWFXNKFG-UHFFFAOYSA-N	424.566	3.916	10	20	HHCD	
COc1cccc(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	772952362	CLLDDYGDGRHOBL-UHFFFAOYSA-N	421.497	3.830	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773627449	XVBZCXJMUKPKMF-IRXDYDNUSA-N	404.555	3.760	10	20	HHCD	
CCc1ccc(NC(=O)c2nnc(CN[C@H](C)c3cc(OC)ccc3O)s2)cc1	775371105	TYORUYUEVMLDJA-CYBMUJFWSA-N	412.515	3.918	10	20	HHCD	
O=C(NCCCO)C1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	775415819	BGIKQMJTEXOGFE-UHFFFAOYSA-N	409.490	3.845	10	20	HHCD	
Cc1cccc(CNc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c1O	775983762	MJNILSPSDZMVOQ-UHFFFAOYSA-N	402.450	3.988	10	20	HHCD	
CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	776885266	VMARDJSBHCRHJQ-CVEARBPZSA-N	401.482	3.809	10	20	HHCD	
Cc1cc(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1	779106751	AATGRAXWVGHDNF-UHFFFAOYSA-N	410.518	3.786	10	20	HHCD	
Cc1cc(C(=O)Nc2cn(C)cc(Br)c2=O)c(C)n1-c1ccc(F)cc1	779454952	CYSOJQQIRQMCCB-UHFFFAOYSA-N	418.266	3.947	10	20	HHCD	
COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	779603824	DLGWPSBBANMKPY-SFHVURJKSA-N	403.523	3.996	10	20	HHCD	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	779981510	RUFMXUHLLAONBJ-UKRRQHHQSA-N	403.420	3.535	10	20	HHCD	
CC(=O)Nc1ccc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	780814740	OTOILXOTPBJRQH-QGZVFWFLSA-N	417.456	3.954	10	20	HHCD	
C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1	785445265	VKAIYCDBKWBADG-HUUCEWRRSA-N	421.463	3.696	10	20	HHCD	
Cc1ccc(SC[C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788910894	GFGVOUCCYKERPV-GOSISDBHSA-N	411.571	3.508	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC	790350136	FAIFCHAUKGPOAA-UHFFFAOYSA-N	424.950	3.777	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2c(F)cccc2OC(F)(F)F)SC1=S	790591404	RFVJKAWSFFJWTK-WQLSENKSSA-N	423.409	3.879	10	20	HHCD	
CCc1cc(N2CCC(NCc3ccc(N(C)C)cc3C(F)(F)F)CC2)ncn1	793009357	QTAKTCVLHHBBEL-UHFFFAOYSA-N	407.484	3.882	10	20	HHCD	
CCCOc1c(Br)cc(C(=O)NCc2ccc(OC)cc2O)cc1OC	794386865	DENDELALKYWHEA-UHFFFAOYSA-N	424.291	3.891	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N(CCc3ccccn3)Cc3cccnc3)ccc21	797441134	RHIAWRXSKZTKLB-UHFFFAOYSA-N	415.541	3.814	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	797750790	KUWRMWBRPAFOTA-MGPUTAFESA-N	414.502	3.719	10	20	HHCD	
COc1ccc(N2CCC(Nc3cccc(N4C(=O)CCNC4=O)c3C)CC2)cc1	800498070	BAMXXFAIALECKY-UHFFFAOYSA-N	408.502	3.531	10	20	HHCD	
COc1cccc(C[C@@H](O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1	800571194	GRKKXJVWHUEKQV-OPAMFIHVSA-N	416.949	3.805	10	20	HHCD	
CCN(CC)CCNC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1OC	802761258	KNMGNEBEJHZOBW-UHFFFAOYSA-N	423.916	3.877	10	20	HHCD	
CC[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc23)C[C@@H](C)S1(=O)=O	808194975	RYIVQZPULSALMQ-IUODEOHRSA-N	412.349	3.705	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC(O)(c2ccccc2)C1	811510156	XEWLMUSBGCEYPN-UHFFFAOYSA-N	413.109	3.621	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCC[C@H](CSC)C2)c([N+](=O)[O-])c1Br	813639158	VJJFWWCQEBFRCW-VIFPVBQESA-N	420.285	3.854	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	813646689	MISDEVAPVVLMTA-QUCCMNQESA-N	416.566	3.602	10	20	HHCD	
Cc1cc(C(=O)CS(=O)(=O)Cc2cn3ccccc3n2)c(C)n1-c1ccccc1	915363266	VACVQWRQKUIUOU-UHFFFAOYSA-N	407.495	3.540	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	917916243	CYVKUOWRTUVFGK-UHFFFAOYSA-N	417.575	3.996	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	917918636	RFBNLNQOOUZPTJ-IAGOWNOFSA-N	406.523	3.535	10	20	HHCD	
COc1ccc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	918222780	XDWCWBBRVMAEEK-CALCHBBNSA-N	415.509	3.790	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c3ncccc23)cc1	918430364	YDXIWIAWVTXJLT-UHFFFAOYSA-N	410.905	3.989	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1	918444525	QWHXTEAWJIDNQK-UHFFFAOYSA-N	408.429	3.707	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	918455645	LHDXKNMDGIQJHL-UHFFFAOYSA-N	401.894	3.544	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc4ccccc4c3)CC2)cc1	918461091	QAGKJOYBVUWQRR-UHFFFAOYSA-N	403.482	3.526	10	20	HHCD	
CCN1CCC[C@@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	918723382	YUEMCPYRCYKJRB-HXUWFJFHSA-N	400.592	3.707	10	20	HHCD	
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1sccc1-n1c(C)ccc1C	919565752	KQVIIKKWBDJAKY-OAHLLOKOSA-N	400.504	3.690	10	20	HHCD	
CC(C)(Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919970306	UOONGFJRMXFRDD-UHFFFAOYSA-N	400.494	3.508	10	20	HHCD	
COc1ccc(-c2nc(=S)n(CN(C)Cc3ccc(N(C)C)cc3)[nH]2)c(OC)c1	921044730	HHPKZCMVLJSJKX-UHFFFAOYSA-N	413.547	3.780	10	20	HHCD	
C[C@@H](NCc1cccc(OCC(F)(F)F)n1)c1ccc(N2CCOCC2)c(F)c1	1320937579	KODVIJUOIYBXDW-CQSZACIVSA-N	413.415	3.849	10	20	HHCD	
CCOc1ccc2c(c1)CN(C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CC2	1322133902	WYDXRLOBOXFQLY-SFHVURJKSA-N	409.530	3.751	10	20	HHCD	
C[C@H](CCNC(=O)NCc1ccc(N2CC=CC2)cc1)N(C)C(=O)OC(C)(C)C	1329251202	BKSMLULYGJEMHN-QGZVFWFLSA-N	402.539	3.508	10	20	HHCD	
CN1CCN(c2ccc(CNc3cc(C(=O)N(C)C)ccc3Cl)cc2F)CC1	1335222923	VXEAUCGVSWUSBI-UHFFFAOYSA-N	404.917	3.545	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C	106125596	DIBRQGSWLQOETA-UHFFFAOYSA-N	423.561	3.641	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1	145500436	HFVWZAHFODWVAE-JPYJTQIMSA-N	410.514	3.572	10	20	HHCD	
CS(=O)(=O)c1cccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1[N+](=O)[O-]	301901146	VKOKJGUMSYEANY-UHFFFAOYSA-N	415.446	3.912	10	20	HHCD	
Cc1ccc(F)c(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	303853472	LBHKYMLZNNSRER-HOTGVXAUSA-N	404.457	3.582	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(CSc2nccn2C)c1	437006035	FCZQRSILGCDMGA-UHFFFAOYSA-N	408.527	3.818	10	20	HHCD	
COc1ccc(SCCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1OC	437015115	DLWCEBLPWKYLMD-UHFFFAOYSA-N	402.516	3.678	10	20	HHCD	
CC(=O)Nc1ccccc1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1	546253817	GWXQNNHXCLFIDG-UHFFFAOYSA-N	418.478	3.887	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C3CCCCCC3)cc2F)C[C@@H](C)O1	726211824	HGIUWCMUKOJTNK-IAGOWNOFSA-N	420.525	3.569	10	20	HHCD	
Cc1ccc([C@H](O)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726722428	RPIQZOKAOKVMNP-HXUWFJFHSA-N	419.472	3.598	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc21	728517363	AFXKLHGAAHKFMD-UHFFFAOYSA-N	421.541	3.671	10	20	HHCD	
Cc1ccc(-c2nnc(S)n2CCC(=O)NCCCSc2nccs2)cc1	733973902	YOPZNOXJCKZPGN-UHFFFAOYSA-N	419.601	3.687	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccccc3OC(F)F)cc2F)C[C@@H](C)O1	735633278	POXYZMIMRKBXET-HUUCEWRRSA-N	422.447	3.900	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)c2C)c1	740712635	ULTZMMANXQZGSD-UHFFFAOYSA-N	404.514	3.815	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccnc(OCC(F)(F)F)c1	741672734	SMJXNPOMBLKLTQ-UHFFFAOYSA-N	411.449	3.506	10	20	HHCD	
O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCc1ccc(N2CCCCC2)cc1	743324631	JAWGWEIEEITKJQ-DEOSSOPVSA-N	407.558	3.584	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)c1	743337625	XUYMFKOOMUNDMB-NSHDSACASA-N	403.385	3.883	10	20	HHCD	
C[C@@H](CCc1cccn1C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	743661062	UMMSNWLWRXISRB-INIZCTEOSA-N	420.504	3.916	10	20	HHCD	
COCCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)c1ccccc1	746214843	AXZAFBKLYVHULC-SFHVURJKSA-N	415.509	3.582	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2=Cc3cc(Br)ccc3OC2)cc1F	746803200	PBKAVGBAYSFPEG-UHFFFAOYSA-N	405.267	3.746	10	20	HHCD	
Fc1cc(CN[C@H]2CCc3c(F)cccc32)ccc1N1CCN(c2ncccn2)CC1	747815125	CITDNVKSBFGEGL-QFIPXVFZSA-N	421.495	3.859	10	20	HHCD	
CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	748330874	JXGLOISINFNAOC-OAQYLSRUSA-N	414.594	3.905	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)n2)c(F)cc1F	749010408	LHFVKNRRVXBCQU-UHFFFAOYSA-N	422.434	3.868	10	20	HHCD	
CCc1ccccc1-n1cc(O)c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)n1	752792774	CHBISVAFVYNYIS-UHFFFAOYSA-N	420.513	3.501	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3oc4ccc(OC)cc4c3C)nc12	754732045	BLXOYYUUKHCYOG-CYBMUJFWSA-N	424.457	3.526	10	20	HHCD	
C[C@@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cc(Br)ccc1O	756548157	IZDUSYNTJGIHJR-OAHLLOKOSA-N	419.363	3.962	10	20	HHCD	
COc1ccc(N[C@H](C)c2cc(Br)ccc2O)cc1NS(C)(=O)=O	756869793	YZEMPZSYJPQSOC-SNVBAGLBSA-N	415.309	3.708	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1	758566778	ZIVAQSURDVYKHR-IBGZPJMESA-N	405.445	3.637	10	20	HHCD	
C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	759583240	IVDRORPHWBQTGJ-IIDMSEBBSA-N	423.460	3.661	10	20	HHCD	
CCCOc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	760095984	JOJYMVNTSKJKIG-UHFFFAOYSA-N	413.493	3.810	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H]3CCC[C@H](C(C)C)C3)CC2)cc(OC)c1OC	760114133	NJOJHPIWLZDOMG-ROUUACIJSA-N	419.566	3.759	10	20	HHCD	
C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	763010328	IPDQHJJKJMGTSX-QMHKHESXSA-N	411.521	3.910	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CSc2nncn2-c2cccc(Cl)c2)c1	768912312	ZXXHBIPBUWCUJF-LBPRGKRZSA-N	418.906	3.604	10	20	HHCD	
COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	769638914	PRDSPBFIAFZKTA-IBGZPJMESA-N	418.515	3.530	10	20	HHCD	
O=C(CN1CCOCC1)Nc1ccc(NCc2cc(-c3ccccc3)ccc2O)cc1	770511460	CAYFMHATNRWPKM-UHFFFAOYSA-N	417.509	3.942	10	20	HHCD	
O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCO4)n2)c1	771596902	CXKSPIDNVUQKJF-UHFFFAOYSA-N	417.468	3.844	10	20	HHCD	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773743775	KTPYIVHFYQJTOF-GFCCVEGCSA-N	416.474	3.942	10	20	HHCD	
CC(C)[C@@H](NC(=O)COc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2	774827221	PHEXPNLKUUPTOT-XMMPIXPASA-N	410.514	3.950	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)ccc21	775216121	DLBVLWLYYOMPSJ-NRFANRHFSA-N	411.933	3.606	10	20	HHCD	
COc1ccc(F)cc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	775881883	YXKDAZPQNZIUOM-SFHVURJKSA-N	406.885	3.517	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H]1C1CCOCC1	777741008	KESTXDWVHGKZHC-YLJYHZDGSA-N	423.504	3.857	10	20	HHCD	
CCOC(=O)N1CCC([C@@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	778202309	QZXZJEAIRFWNGC-QGZVFWFLSA-N	418.538	3.932	10	20	HHCD	
CCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1cccc(N2CCCC2)c1	779509781	HYHQHFZLSNBCCT-XETPZZHUSA-N	423.513	3.635	10	20	HHCD	
COCCO[C@@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	780489792	OLXRQUVHGQFEJP-GOSISDBHSA-N	409.482	3.711	10	20	HHCD	
Cc1cc2c(cc1NC(=O)NCc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)OCO2	781470026	GFHALXFFFULYQJ-GJZGRUSLSA-N	415.465	3.798	10	20	HHCD	
CC(C)(C)OC(=O)Nc1cnc(C(=O)NCc2ccc(N3CCCCC3)cc2)cn1	783045544	HNMYTISPBLAAEG-UHFFFAOYSA-N	411.506	3.744	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1-c1ccccc1	785302201	BZTFUOKTSRDEEW-MRXNPFEDSA-N	404.466	3.759	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccc4ccccc4c3)cc2)CC1	786256545	SJLGZJBRODBJOY-IBGZPJMESA-N	415.537	3.928	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2cccc(Br)c2)C1)c1cc([N+](=O)[O-])ccc1O	786952631	GHSPBTLNODNOFI-OCCSQVGLSA-N	406.280	3.992	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccc(S(C)(=O)=O)s2)c1C	787519699	UPUQDABAFVZZRJ-UHFFFAOYSA-N	402.541	3.798	10	20	HHCD	
C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	787978507	YZNRGRAOLPEQJC-SFHVURJKSA-N	411.521	3.522	10	20	HHCD	
CCC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](O)c1ccccc1	792035597	MAGGCCYWDMJHOE-YADHBBJMSA-N	413.587	3.941	10	20	HHCD	
Cc1ccc(NCc2ccc(OCc3ccccc3)cc2O)cc1N1C(=O)CNC1=O	793356391	GPOBJGIZXBOYFT-UHFFFAOYSA-N	417.465	3.948	10	20	HHCD	
C[C@@H](CSCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	794447422	BAQXRXCQGUFNLI-KRWDZBQOSA-N	402.535	3.815	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(COc3ccccc3)c2C)c(O)c1	797390468	WLIYHKXEFYLWQY-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	798972108	BQUSMCMZOIHHFX-UHFFFAOYSA-N	424.520	3.548	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(C)c1Cl	799519390	VUEWLFIIVPAXDV-UHFFFAOYSA-N	421.950	3.513	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	800999066	QFIXIRDOLWPSDS-QHCPKHFHSA-N	416.566	3.733	10	20	HHCD	
CCn1cc(N=c2scc(-c3cnccn3)n2Cc2ccc(N(C)C)cc2)cn1	803190741	XOHLHSMQZYYBJM-UHFFFAOYSA-N	405.531	3.570	10	20	HHCD	
CN(CCc1cccs1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803678133	YRJHHWGAXPVPOU-UHFFFAOYSA-N	413.587	3.834	10	20	HHCD	
COc1cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC	804872461	KZCAMCRHTMPKGL-UHFFFAOYSA-N	415.273	3.724	10	20	HHCD	
CC(=O)N1C[C@H]2[C@@H](NC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)CCC[C@H]2C1	808358021	VSKOJZRUYNWJJE-QTJGBDASSA-N	422.573	3.583	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1	809367525	MAINITQBEOVLAW-IBGZPJMESA-N	423.557	3.999	10	20	HHCD	
COc1cc(O)c(CN2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)cc1OC	809767364	IXXRNTLESTXJEO-ROUUACIJSA-N	419.468	3.788	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3nnc4ccccc4n3)c2C)c1	811313992	IECXUEQHGKHIGB-UHFFFAOYSA-N	400.438	3.780	10	20	HHCD	
CO[C@@](C)(CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1CC1	813313004	MFZCTKGHFUXNNB-HVEPWOEZSA-N	424.613	3.661	10	20	HHCD	
O=C(N[C@@H]1CCCC12CCOCC2)C(=O)N(Cc1ccccc1O)C1CCCCC1	814182242	RUHDEDRKNAQMAL-OAQYLSRUSA-N	414.546	3.519	10	20	HHCD	
CCOc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC	916626034	QQBOKGCBRGNTOK-UHFFFAOYSA-N	401.532	3.969	10	20	HHCD	
O=[N+]([O-])c1ccc(N2CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)CC2)cn1	917427872	ASXVHHAHIKVCMZ-UHFFFAOYSA-N	408.458	3.643	10	20	HHCD	
Cc1ccc(CSCCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	918188030	JWRIMILORPVWSZ-UHFFFAOYSA-N	417.550	3.703	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c(C)n1-c1ccccn1	919897458	ZOEOIDDBNSAUQM-OAQYLSRUSA-N	402.498	3.583	10	20	HHCD	
Cc1cccc(-n2ncc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2C)c1	919968590	GWHCBXLSOWSFSY-UHFFFAOYSA-N	418.541	3.628	10	20	HHCD	
CC(C)c1nc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(C(C)(C)C)n1	1118581064	SERUVUKWTHDBOY-UHFFFAOYSA-N	416.591	3.744	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]c(Br)c1	1323220873	BATSZFIEXMAAEX-LBPRGKRZSA-N	414.250	3.777	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1	7229844	SQPLNJDAAIZGHU-UHFFFAOYSA-N	421.570	3.961	10	20	HHCD	
Cc1cc(OCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1C(C)C	7692401	HAKXDMMIHGKVLI-UHFFFAOYSA-N	412.530	3.765	10	20	HHCD	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C(=O)O	13313368	AWFPKEWFLIWDDL-UHFFFAOYSA-N	402.516	3.504	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)CC2)cc1	97494673	FFXGUFLOARKOOU-QGZVFWFLSA-N	417.500	3.705	10	20	HHCD	
COc1ccc(Br)c(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1	207418405	BIKJNJBRCYBJCH-XYOKQWHBSA-N	416.318	3.524	10	20	HHCD	
CCc1noc(-c2ccc(CCNCc3ccc(N4CCOCC4)c(F)c3)cc2)n1	237136861	BJGHBVKDOCWUJG-UHFFFAOYSA-N	410.493	3.607	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)C1	435823885	BJGSIFDJOZBESN-URXFXBBRSA-N	419.573	3.904	10	20	HHCD	
O=[N+]([O-])c1cc(CNCc2ccccc2N2CCOCC2)ccc1N1CCCCC1	725849051	SPHJAVVDKNJXTM-UHFFFAOYSA-N	410.518	3.712	10	20	HHCD	
COc1ccc(CCCN(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726712768	CBWSWCHNMZEDCU-UHFFFAOYSA-N	411.546	3.947	10	20	HHCD	
CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)c3cc(OC)ccc3O)cc2)c1C	728978530	RIIVYBITJCTQNG-CQSZACIVSA-N	423.469	3.563	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CCc4c(C)cccc4C3)cc2F)CC1	730135291	SONRAWYYEIYSBB-UHFFFAOYSA-N	410.537	3.544	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC2(N3CCC(OC)CC3)CCCC2)cc1	730901741	DWYSXRFYIVFQMK-UHFFFAOYSA-N	416.610	3.756	10	20	HHCD	
CCOc1cc(NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)ccc1C	731409245	NYOKIPTULGTTAS-UHFFFAOYSA-N	401.482	3.634	10	20	HHCD	
CCN1CCN(C[C@H](C)CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	733170013	IIKAVKHRDJLVSA-QGZVFWFLSA-N	416.997	3.751	10	20	HHCD	
CC(C)(C)OC(=O)NCc1nc(C(=O)NCCCSc2nccs2)cs1	733974881	OCGQOYWCXKIFTM-UHFFFAOYSA-N	414.578	3.537	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H](c2cc[nH]n2)C1	734276098	GZKVVXOZMXGUEU-OAHLLOKOSA-N	419.476	3.569	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cn3cc(-c4ccccc4)cn3)cc2F)C[C@H](C)O1	735980417	ZFWYRQHYUYYHPZ-ROUUACIJSA-N	422.504	3.619	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)c2)CC1	739603645	WZJHBWUIEYDONK-UHFFFAOYSA-N	402.498	3.831	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1nnc(Cc2ccccc2F)s1	741066793	AHRQPONRYKLEMA-UHFFFAOYSA-N	409.490	3.966	10	20	HHCD	
O=C1OCCN1c1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1	741136593	FXMORTJOLOYPLQ-UHFFFAOYSA-N	407.498	3.629	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1)C1CCCCC1	742416787	NKUKISWXMLRHJB-UHFFFAOYSA-N	400.544	3.789	10	20	HHCD	
C[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)n1cnc2ccccc21	742798946	DSASXDODMSGFIX-CVEARBPZSA-N	414.456	3.984	10	20	HHCD	
COc1ccccc1O[C@H](C)CNC(=O)NCc1ccc(N2CCSCC2)cc1	743555493	ZSVDTIUOUKFOQP-QGZVFWFLSA-N	415.559	3.515	10	20	HHCD	
C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1ccc(Cl)cc1	743706514	WSMRLUWJBXPMAT-KRWDZBQOSA-N	417.937	3.786	10	20	HHCD	
CC[C@](C)(NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nccs1	744404651	VROHXSSCNCCSQX-QHCPKHFHSA-N	419.506	3.772	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1O	745489959	YRWIIFLGXWZVMS-QGZVFWFLSA-N	421.900	3.830	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(Br)c(C)c2)SC1=S	746395469	XTTYFVSBLLOTHE-UKTHLTGXSA-N	414.346	3.912	10	20	HHCD	
CC[C@@](C)(NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(F)(F)F	746483946	PQADSILPXPPXEN-HXUWFJFHSA-N	404.388	3.721	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1	747308658	UQYUFSOYTCPKBH-QGZVFWFLSA-N	424.467	3.694	10	20	HHCD	
CC[C@](C)(NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(F)(F)F	747311522	UGZSJQNDFWVFON-IBGZPJMESA-N	420.343	3.831	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)ccc1F	747855982	FRCGSRIBUCQMMS-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1Oc1cccnc1	748053148	AWEUGIFGEBPBDR-UHFFFAOYSA-N	403.482	3.983	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	749551964	KUJLJEHYHHYGLX-HYBUGGRVSA-N	406.574	3.997	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c[nH]1	753136238	CXSQBSDKMDLZHF-FSEGOYHTSA-N	400.481	3.526	10	20	HHCD	
C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	753950895	WXFNKXUNTNCYMP-VQIMIIECSA-N	413.949	3.537	10	20	HHCD	
C[C@@H](NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756378427	DIMFZNJTWXMLGT-AUUYWEPGSA-N	405.882	3.678	10	20	HHCD	
C[C@H](N[C@H](C)Cn1ccnc1)c1cc(Br)cc(Br)c1O	756405376	ZSCFXOFZNCPURN-ZJUUUORDSA-N	403.118	3.853	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCCSc3nccs3)CC2)cc1	759601356	IMTOUSHFUHVYJL-UHFFFAOYSA-N	406.577	3.556	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)c(C)n1-c1ccccn1	760552725	AGERQLQODKVZHJ-OAQYLSRUSA-N	420.582	3.837	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CCCO[C@H]1c1ccccc1	761121198	GFUSZEQQBPNZDO-IERDGZPVSA-N	414.889	3.978	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1nnc(SCc2ccccc2)s1	761610764	MANFHHSAVJESPD-UHFFFAOYSA-N	402.501	3.606	10	20	HHCD	
CN(C)c1nnc(-c2ccc(NC(=O)NCCCSc3nccs3)cc2)o1	762229577	QOHLQCGOADOFAB-UHFFFAOYSA-N	404.521	3.563	10	20	HHCD	
C[C@H](Nc1cnn(C(C)(C)C)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	762540498	XUTQUUGLQHADOT-AWEZNQCLSA-N	416.481	3.853	10	20	HHCD	
Cc1ccc(C)c(-n2ccnc2SCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	763282593	ZIQKEZYBLSYCSG-MRXNPFEDSA-N	411.527	3.740	10	20	HHCD	
O=[S@](Cc1cccc(NS(=O)(=O)c2cccc3nonc23)c1)C1CCCCC1	765089160	HAXXFWIVHFRLAQ-HHHXNRCGSA-N	419.528	3.605	10	20	HHCD	
COCCn1cc(C(=O)NCc2cccc(Br)c2O)c2ccccc21	765726380	GQPNKUQXDOUXEG-UHFFFAOYSA-N	403.276	3.686	10	20	HHCD	
CC(C)N1CCN(c2cccc(NS(=O)(=O)c3ccc4ncccc4c3)c2)CC1	768017597	PWADYXIOLRMVKO-UHFFFAOYSA-N	410.543	3.566	10	20	HHCD	
C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4c(O)cccc4Cl)CC3)cc2NC1=O	769314984	SKUVXNZTGLLVPZ-ZDUSSCGKSA-N	414.889	3.860	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1c(C)nn(CCC(=O)OC)c1C	769538874	FNWMVJDPROYWKW-UHFFFAOYSA-N	424.339	3.553	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(C)cccc2SC)cc1F	770737855	IOKNIPCCIDZERT-UHFFFAOYSA-N	403.523	3.957	10	20	HHCD	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	772002402	IWHBCIFQAHBLGV-QZTJIDSGSA-N	414.550	3.602	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(Cc2ccccc2)CC1	772039921	VCBZHOKCVXKQJH-UHFFFAOYSA-N	407.558	3.717	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)cc1	772922316	YKHDLPLCAWUPSE-UHFFFAOYSA-N	416.934	3.703	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1)c1ccc(N(C)C)cc1	773844221	CYRNLTYOWYBVBP-MRXNPFEDSA-N	404.470	3.756	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cnc(C3OCCO3)s2)cc1)C1CCCCC1	773886240	VBLCYFOFQMPYKC-UHFFFAOYSA-N	401.532	3.887	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnn(CC(F)(F)F)c1	775139531	IKQXRYYCMGNPDW-UHFFFAOYSA-N	424.376	3.648	10	20	HHCD	
O=C(c1cccc(O)c1O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	776319716	HPTYJVUSYHNZJD-UHFFFAOYSA-N	424.447	3.923	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccnc(OCC(F)(F)F)c1	776490982	NFOBECZERHENCY-UHFFFAOYSA-N	424.423	3.523	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@H]1CCC=CO1	781491277	XDFIXJNSIGXJBV-LKKYZFDUSA-N	408.570	3.538	10	20	HHCD	
Cc1cc(-c2ncccc2NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cs1	782638549	AUIYUVNWLRHYBC-UHFFFAOYSA-N	421.522	3.958	10	20	HHCD	
Fc1cc(CNC(=S)Nc2ccc(Br)cc2)ccc1N1CCOCC1	783724043	CHHANWMULJCRGW-UHFFFAOYSA-N	424.339	3.911	10	20	HHCD	
Cc1ccccc1[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789854765	LLHBQZAMYYMWGV-QFIPXVFZSA-N	423.582	3.528	10	20	HHCD	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(C(C)C)c(O)cc3C)cc2CC1	790067748	BUHJMSHJZNCMBG-UHFFFAOYSA-N	416.543	3.572	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(N(C)C)cc1	793061184	GYDZYVWBJVHDFE-DYVFJYSZSA-N	411.424	3.745	10	20	HHCD	
COc1ccc(CNC(=O)c2c(C)c3cc(Br)ccc3oc2=O)c(O)c1	794378283	UDZASJKUHCLGQZ-UHFFFAOYSA-N	418.243	3.508	10	20	HHCD	
COc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(OC)cc3O)s2)cc1	794379333	LYJDQNZMNIEMAC-UHFFFAOYSA-N	412.467	3.653	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Br)cn1	794805327	WYFGJMCIEIOSEN-CYBMUJFWSA-N	408.315	3.795	10	20	HHCD	
CN(C)c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C(F)(F)F)c1	794869735	MKXDPHWZXGKYAI-JYRVWZFOSA-N	418.462	3.837	10	20	HHCD	
C[C@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1O	798000051	XHEWSKQCWHUGDR-HNNXBMFYSA-N	402.491	3.656	10	20	HHCD	
CC(=O)OC1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	800718861	DTBAIYBGMQUGAR-OAHLLOKOSA-N	407.942	3.813	10	20	HHCD	
CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(N2CCSCC2)cc1	800997778	BPMJVKSMQGUXDU-UHFFFAOYSA-N	414.531	3.532	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)ccc21	802061883	WEMDURMLAJBKKB-QHCPKHFHSA-N	416.566	3.515	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H](O)c3cccnc3)c2C)c1	803958593	ZNMWKZUCHDPVPV-OAQYLSRUSA-N	410.495	3.671	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)Oc1cc(F)cc(F)c1	805144611	FAPBVRGHNXCYJB-UHFFFAOYSA-N	401.457	3.998	10	20	HHCD	
C[C@H]1CCCN(c2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccn2)C1	812484160	WGDWBLOUKSQODC-OALUTQOASA-N	408.546	3.646	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@@H]1CCN(c2ccccc2F)C1	812927123	ZZJQNFMEHKYTJJ-ZDUSSCGKSA-N	422.298	3.620	10	20	HHCD	
COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	820267625	GOGCPNNOXGDQBF-HXUWFJFHSA-N	411.889	3.657	10	20	HHCD	
Cc1cc(-c2nc(-c3c(O)nc(=O)n(C)c3C)no2)c(C)n1-c1ccc(Cl)cc1	904905795	SWDSZUYLFIAPOK-UHFFFAOYSA-N	411.849	3.572	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)C2CC2)cc1	914439317	IHTMFEBVHKKWGE-UHFFFAOYSA-N	423.538	3.753	10	20	HHCD	
CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	915269328	VCNXFZGIJDJANB-IBGZPJMESA-N	405.516	3.551	10	20	HHCD	
Cc1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1S(C)(=O)=O	916044468	MWDTWCMVGOOFKM-UHFFFAOYSA-N	410.539	3.779	10	20	HHCD	
CCCC(=O)Nc1cccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	916514137	ZJADETQMZANGJA-UHFFFAOYSA-N	424.545	3.603	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc(OC)c1	916668048	BWBRFDWRHQSODW-GJZGRUSLSA-N	417.481	3.778	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccccc3N3C[C@@H](C)O[C@H](C)C3)CC2)cc1	916696935	CSNQTTABDMMAIO-RTBURBONSA-N	424.545	3.663	10	20	HHCD	
O=C(Cc1csc(-c2ccccc2)n1)NCc1ccc(N2CCC(CO)CC2)cc1	919968661	NHJGSDQCYQYKGA-UHFFFAOYSA-N	421.566	3.878	10	20	HHCD	
CC[C@H](C)Oc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	920044312	QWEXWBUGCJHDAD-PKOBYXMFSA-N	424.545	3.887	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	920468302	UWSIQIDTGJUPKS-SFHVURJKSA-N	412.534	3.866	10	20	HHCD	
COc1cc(F)cc(F)c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1	1318738782	BNEBHWXJJGDTDG-UHFFFAOYSA-N	424.450	3.833	10	20	HHCD	
C[C@@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H](n2cncn2)C1	1321812262	YCRDWESSDCDTRZ-XPGWFJOJSA-N	423.483	3.653	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2ccn(-c3cc(F)cc(F)c3)n2)cc1)C1=S=CC=C1	1360644291	VTLRMQDUKQFYRE-UHFFFAOYSA-N	424.432	3.619	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3nc4ccccc4s3)CC2)cc1	8028356	XRPOOMBACPZZSW-UHFFFAOYSA-N	413.568	3.887	10	20	HHCD	
CCOc1ccccc1C(=O)NCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	60162115	KGXKRBVURYQEGR-UHFFFAOYSA-N	423.557	3.900	10	20	HHCD	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OC(F)F)SC(=S)N1c1cccnc1	64925613	XZFAZOJATYCFFW-QPEQYQDCSA-N	409.395	3.997	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H](c1ccccc1)N1CCCCC1=O	110897820	FSSFUJFNIOEFIC-QHCPKHFHSA-N	423.582	3.610	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cc1	303250962	NCMZHEJDFQLQPN-QFIPXVFZSA-N	413.481	3.927	10	20	HHCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1	391515892	OLJAKHXEOUFSKR-UHFFFAOYSA-N	420.668	3.616	10	20	HHCD	
CC(C)c1nc(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cs1	726716819	IAASSJOVHCMCHR-SFHVURJKSA-N	403.548	3.905	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)SC2=S)cn1	726986288	NGHUFAHGSRZSRY-LZYBPNLTSA-N	418.496	3.522	10	20	HHCD	
CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cc(F)ccc1F	727055744	UTQWAVFIXOMYPA-UHFFFAOYSA-N	422.343	3.925	10	20	HHCD	
CCOc1ccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1OC	727176067	FULCGCMAFSOJBD-BOPFTXTBSA-N	408.589	3.883	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCOc2ccccc21	728189588	OVMSKVJCCFDGNP-IBGZPJMESA-N	402.441	3.939	10	20	HHCD	
COC(=O)CCc1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	729578437	MTSKIBVRBAHCKQ-UHFFFAOYSA-N	411.502	3.545	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CSCC(=O)Nc2cccc(C)c2)cc1F	731373645	LNHGWOBQFCOLNG-UHFFFAOYSA-N	417.550	3.968	10	20	HHCD	
Cc1ccc(CN(CC(=O)Nc2c(C)n[nH]c2C)c2ccc3c(c2)OCCO3)s1	734147116	LMFYREBFMKIUOF-UHFFFAOYSA-N	412.515	3.813	10	20	HHCD	
CN1C(=O)CC[C@H](C(=O)NCc2ccccc2O)[C@@H]1c1ccc(C(F)(F)F)cc1	734547755	NTNXWSDVYPNFES-LPHOPBHVSA-N	406.404	3.637	10	20	HHCD	
COc1cccc(CN(C[C@H]2CCCO2)C(=O)NCc2ccc(N(C)C)cc2C)c1	734687191	NEYIVDAOHVSWRX-HSZRJFAPSA-N	411.546	3.960	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCCN(C[C@@H]4CCCO4)CC3)c2C)c1	738320121	ZNLLSTCIMAGVQK-QHCPKHFHSA-N	409.574	3.772	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1Cc2cc(F)ccc2O1	740656603	JCILTRJBAOUAHS-IBGZPJMESA-N	406.404	3.516	10	20	HHCD	
O=C1/C(=C/NCc2ccc(N3CC=CC3)cc2)c2ccccc2C(=O)N1c1ccccn1	740810764	YACPNZMUUSZUES-PTGBLXJZSA-N	422.488	3.776	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3c(C)cc(C)cc3Cl)CC2)cc1	743278727	VQQVXEAICDMXGU-UHFFFAOYSA-N	416.953	3.909	10	20	HHCD	
COCCOCc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1F	743338529	FOTUELIOFQMPHF-HXUWFJFHSA-N	417.477	3.516	10	20	HHCD	
O=C(COc1cccc(NC(=O)c2ccco2)c1)NCc1c(O)ccc2c1CCCC2	743716364	HVYZFIYVDQBKEJ-UHFFFAOYSA-N	420.465	3.812	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccccn3)cc2F)C[C@@H](C)O1	744280028	BKYWTELORDMAFU-IXDOHACOSA-N	400.498	3.737	10	20	HHCD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	745058369	GYXJMOMZTJLSAO-VQTJNVASSA-N	424.541	3.690	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCC1(SC)CCOCC1	745868456	FJYBKMJUSMCQSW-UHFFFAOYSA-N	417.369	3.598	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc(-n2cccn2)c1	745933575	ROOVJWKNIRRGEV-LJQANCHMSA-N	419.529	3.612	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)CC2)cc1	747541525	VGWSDCHMRRDDEX-KDURUIRLSA-N	424.545	3.663	10	20	HHCD	
Cc1c(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cccc1[N+](=O)[O-]	747806498	OANAIIJVGWUWSP-GASCZTMLSA-N	415.465	3.515	10	20	HHCD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2O)cc1	748353941	SBUYFZWURCWICO-UHFFFAOYSA-N	410.495	3.537	10	20	HHCD	
O=C(/C=C\c1ccc2ccccc2n1)NCc1ccc(N2CCC(O)CC2)c(F)c1	749406307	OEVPYILXTAHQNA-NTMALXAHSA-N	405.473	3.665	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1O	750044533	YYVLKYYYTUORQY-KRWDZBQOSA-N	405.857	3.783	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc2c(c1)C(=O)CCC2	750626794	FNXABNZTUYJHRT-UHFFFAOYSA-N	407.514	3.736	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1C	753028018	YZSCLOHBRFNJCQ-JOCHJYFZSA-N	416.525	3.719	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	756079598	QSFWELFBKGTMEL-UHFFFAOYSA-N	410.276	3.988	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](O)COc2cccc(Cl)c2Cl)c1	756456007	LNTGVOKNSJXSER-AAEUAGOBSA-N	414.285	3.576	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1	756774033	DXNWHPLFEABHEK-DLPLYFIVSA-N	418.921	3.555	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CCC[C@H]1CO)c1ccc(Br)cc1O	757638640	MIKAOZDRNWWRSJ-KXBFYZLASA-N	419.363	3.962	10	20	HHCD	
COC(=O)[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(CCCSC)C2=O)cc1	758416950	UGNIBAZOQFPGTI-QJMZJAKPSA-N	411.570	3.581	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1)c1ccc(N2CCOCC2)cc1	763595589	PNPDQJDGSUSZNI-GOSISDBHSA-N	419.529	3.816	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@H](S(C)(=O)=O)C3)c2C)c1	763916290	FYGJKEUVXHQYLR-IBGZPJMESA-N	420.600	3.508	10	20	HHCD	
CCCCn1ccnc1-c1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1	764249416	UOBZJUVONSQVSP-UHFFFAOYSA-N	419.529	3.671	10	20	HHCD	
CN(C)c1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	764723414	DWMHLDSEQZBCDR-UHFFFAOYSA-N	405.449	3.540	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F	764831170	XCTRRIZSIMZTIR-UHFFFAOYSA-N	421.419	3.784	10	20	HHCD	
CC(C)N(CCC(=O)NCc1cccc(Br)c1O)C(=O)OC(C)(C)C	765731949	NICXKOBWNRODFV-UHFFFAOYSA-N	415.328	3.807	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccoc2Br)cc1	770148126	ZRXXHNKFCUGJEB-MRXNPFEDSA-N	407.308	3.930	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771416411	GHPCVZQJZRNPSI-LJQANCHMSA-N	424.932	3.934	10	20	HHCD	
CCOc1c(OC)cc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC	773260549	SCFRBYSVJKTBEL-HNNXBMFYSA-N	401.507	3.729	10	20	HHCD	
C[C@@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)c1ccc(N(C)C)cc1	773609513	AIZJXFYEMNPGEZ-HXUWFJFHSA-N	422.573	3.690	10	20	HHCD	
CC1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)CC1	773844915	DVNQZPDAZKYLEC-LJQANCHMSA-N	422.573	3.800	10	20	HHCD	
Cc1c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cccc1OCC(F)(F)F	773847874	PIBBQLGFYHFKNI-AWEZNQCLSA-N	423.435	3.818	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(N(C)C)cc1	773856844	LVJMGTCGIBKDMV-INIZCTEOSA-N	419.529	3.645	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC4(CC3)CCN(C)C4=O)c2C)cc1C	773921983	CWTWWZUKLAHIIK-UHFFFAOYSA-N	407.558	3.838	10	20	HHCD	
O=C(COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccc(O)c(O)c1	783158361	LXMJWBMIKICZMV-UHFFFAOYSA-N	407.209	3.630	10	20	HHCD	
O=C(COC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1ccc(O)c(O)c1	783540154	TWBDFZSNFPCVDZ-OAQYLSRUSA-N	414.360	3.922	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(SC)cnn1-c1ccccc1	784028466	QQAZMZMWULDMQJ-UHFFFAOYSA-N	424.526	3.677	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1	784559903	JGYGILOSTCBTCC-MRXNPFEDSA-N	410.470	3.640	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1	785421642	DYICLNHLPRLLPP-LJQANCHMSA-N	421.463	3.901	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCCc2cccc(F)c2)cc1)C1CCCCC1	785543299	YPXPFYZFIIQKLH-UHFFFAOYSA-N	411.521	3.570	10	20	HHCD	
CC(C)(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	788234870	OVEJZVMNRHZYPX-IFMALSPDSA-N	424.541	3.803	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3oc4ccccc4c3OC)CC2)cc1	788766812	VFZWSTFAFOYRGR-UHFFFAOYSA-N	409.486	3.918	10	20	HHCD	
Oc1cc2c(cc1CN(Cc1cccc(Br)c1)CC1CC1)[C@H](O)CO2	788780399	QZEJZEZRJQQUPD-LJQANCHMSA-N	404.304	3.993	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCC2(c3ccccc3Cl)CC2)cc1	788978236	VTHBYGUTQCRLTK-UHFFFAOYSA-N	413.949	3.650	10	20	HHCD	
O=C(CCOCC(F)(F)C(F)(F)F)Nc1c(-c2ccccn2)nc2ccccn12	792537788	HHXYAWCBVDDZOZ-UHFFFAOYSA-N	414.334	3.939	10	20	HHCD	
C[C@@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O	793560924	PELBSUKNCRAEML-SNVBAGLBSA-N	418.393	3.574	10	20	HHCD	
C[C@H](NCCn1cc(Br)cn1)c1cc(Br)c(F)cc1O	797101827	WBZRMKLDVRCTRL-QMMMGPOBSA-N	407.081	3.604	10	20	HHCD	
CC(C)n1nccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800636301	ISXWWWPRKFXMIQ-OAHLLOKOSA-N	417.941	3.609	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CN(C)C(=O)c1ccc(Br)o1	801549948	IMKRTAUPBVXZEC-UHFFFAOYSA-N	423.307	3.649	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	801609892	RBGBUKOYFFRJJG-UHFFFAOYSA-N	419.547	3.913	10	20	HHCD	
Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	802568116	ODQSEUBMVUZOAC-SFHVURJKSA-N	416.525	3.863	10	20	HHCD	
CN(c1ccc(CNC(=O)NCC2(S(C)(=O)=O)CCCC2)cc1)C1CCCCC1	805010917	DZPBZORGCJTINN-UHFFFAOYSA-N	421.607	3.612	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1c[nH]c2c(CC)cccc12	805197081	WUOHZHNHLIIEGK-UHFFFAOYSA-N	421.541	3.924	10	20	HHCD	
COC1CCC(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1	806542519	URHKAEKTXBMEEP-UHFFFAOYSA-N	416.562	3.765	10	20	HHCD	
CS[C@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1	807202409	CUFUVHGAIULEMQ-MJGOQNOKSA-N	404.576	3.844	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(N(C)C)cc1	807674407	KLQDTTHIVKZZBR-BEFAXECRSA-N	422.554	3.903	10	20	HHCD	
N[C@@](C(=O)NCc1cc(Cl)cc(Cl)c1O)(c1cccc(F)c1)C(F)(F)F	807840347	ZUQQUWQPRIXCPW-OAHLLOKOSA-N	411.182	3.871	10	20	HHCD	
COc1cc(Br)cc(CN2CCCC[C@H]2COC(=O)NC(C)C)c1O	809720282	CUSNFGUEAYUCNK-HNNXBMFYSA-N	415.328	3.652	10	20	HHCD	
Cc1cc(CCNC(=O)N2CC[C@@](CO)(c3ccccc3)C2)c(C)n1-c1ccccc1	813031414	BXCZGSBBBNMDAY-AREMUKBSSA-N	417.553	3.982	10	20	HHCD	
CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(N2CCCCC2)cc1	857757359	GSNJPIVBZKJGFN-UHFFFAOYSA-N	408.502	3.606	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC(F)F)cc1	918214514	XWSYCUYLYBMYHG-AWEZNQCLSA-N	423.435	3.824	10	20	HHCD	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC3	918222866	AHLKZALKISJAAD-UHFFFAOYSA-N	422.504	3.720	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)cc1Cl	918305855	MYCUCOUTPSMJBX-UHFFFAOYSA-N	424.726	3.766	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C)c3ncccc23)cc1	918310619	QLXIKXYQHLWPLG-UHFFFAOYSA-N	404.514	3.987	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3COC4=O)n2)c(C)c1	918741813	KTNYQSPGHMYCEC-UHFFFAOYSA-N	400.481	3.898	10	20	HHCD	
Cc1cc(C(=O)NCc2cccnc2N2CCOCC2)c(C)n1-c1cccc(Cl)c1	919978663	FUVXPJDDKYPOCL-UHFFFAOYSA-N	424.932	3.909	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccccc1OCC(=O)NC[C@H]1CCCO1	1116565465	RPPWFCKBWBGHMV-RLLQIKCJSA-N	424.541	3.713	10	20	HHCD	
O=C(Nc1ccc(-c2nnc(-c3nnc(-c4ccccc4)o3)o2)cc1)C1=S=CC=C1	1328405570	YZOHOYGIVFIAGE-UHFFFAOYSA-N	415.434	3.670	10	20	HHCD	
Cc1c(CNC(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)n(C)c2ccccc12	460677668	LUZXSPDURBHWIS-XMMPIXPASA-N	409.505	3.763	10	20	HHCD	
Cc1c(CNC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)n(C)c2ccccc12	472232856	ZMWFXWRXWOTRSI-HXUWFJFHSA-N	405.546	3.545	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccccc3OC)N(C)C)ccc21	484919429	UELSVGWMBSZYDD-HSZRJFAPSA-N	423.557	3.946	10	20	HHCD	
Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1cccc2nsnc12	523399999	QZORSGSMDJGKLL-UHFFFAOYSA-N	415.525	3.742	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CN(C)C)c3ccc(OC)cc3)ccc21	556586245	JQIMYATZWCGPIY-QHCPKHFHSA-N	423.557	3.946	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CN(C)c3nc4ccccc4s3)CC2)cc1	726627140	GHVMDCCKNPCSEC-UHFFFAOYSA-N	410.543	3.526	10	20	HHCD	
COc1cccc(N2CC[C@@H](NC(=O)N(Cc3ccco3)Cc3ccccc3O)C2)c1	728219773	ZGIXNXOOWBFZDR-LJQANCHMSA-N	421.497	3.985	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)o1	730932019	BPLQSKCNMLAQMP-UHFFFAOYSA-N	412.876	3.952	10	20	HHCD	
CO[C@@H](C)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731131933	PBXKMJWYSGLQLS-SFHVURJKSA-N	409.530	3.885	10	20	HHCD	
CCc1ccccc1-n1cnnc1SCC(=O)NCc1ccc(N(C)C)cc1C	734468349	VLLSDMDZQRMNHN-UHFFFAOYSA-N	409.559	3.613	10	20	HHCD	
Cc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C	734660343	PQIGDWMDAGGNCH-AZUAARDMSA-N	408.546	3.566	10	20	HHCD	
CSCC[C@@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	737038025	WRAAVECODIRMRS-CQSZACIVSA-N	419.513	3.825	10	20	HHCD	
CCn1ncc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc21	737110962	OQAGTNJXTQHFTO-UHFFFAOYSA-N	418.453	3.522	10	20	HHCD	
C[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccsc1	738826107	LDDGGGDUJKGPDW-ZDUSSCGKSA-N	419.458	3.809	10	20	HHCD	
Fc1cc(F)c(NNC(=S)Nc2ccc3c(c2)OCO3)c(Br)c1	741863979	TZVXYZVFSIBBRZ-UHFFFAOYSA-N	402.220	3.770	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1COc2cc(OC)ccc2C1	743809264	QPQZOQSYHWCVPN-OAHLLOKOSA-N	420.303	3.763	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCCc1cccs1	743871112	RFUCPUBZBLENQS-ZDUSSCGKSA-N	411.365	3.786	10	20	HHCD	
C[C@H](c1cccnc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	744280452	NZMLKZZPAVJCIN-OAHLLOKOSA-N	422.451	3.840	10	20	HHCD	
CSc1ccc(F)cc1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	745779263	OCBYSLOJWUDRKC-OAHLLOKOSA-N	403.523	3.945	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1	747316573	LFMZMVJDCONGIE-KRWDZBQOSA-N	419.407	3.793	10	20	HHCD	
O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1	748860186	WEMMVUNTYPIVJF-UHFFFAOYSA-N	417.487	3.877	10	20	HHCD	
COc1ccc(COCCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1	751300723	ZIQGGCLMEPFYJG-UHFFFAOYSA-N	402.454	3.950	10	20	HHCD	
C=C1c2ccccc2C(=O)N1CCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	751300725	ZIRJYRIJBCXFIA-UHFFFAOYSA-N	409.449	3.852	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1cccc(CN2CCCCC2=O)c1	753943629	NSPLRZCXQZQZEA-UHFFFAOYSA-N	404.561	3.960	10	20	HHCD	
O=[N+]([O-])c1ccc(O)c(CNCCCOc2ncc(C(F)(F)F)cc2Cl)c1	756988983	FRZBWPQCUYKRFX-UHFFFAOYSA-N	405.760	3.926	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(F)c1	758701695	NQVZUARVBGPKHF-HUUCEWRRSA-N	419.472	3.586	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)ccc1OC(F)F	760072496	OUMHYPPWXQJTAW-UHFFFAOYSA-N	409.408	3.928	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccncc2Br)cc1	763316491	NGMRKYGRVBVFTB-KRWDZBQOSA-N	418.335	3.732	10	20	HHCD	
Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1F	764377005	KXHWPYIIVLYAJP-ZIAGYGMSSA-N	419.428	3.725	10	20	HHCD	
O=C1/C(=C\c2ccc(OC[C@@H]3CCCO3)cc2)SC(=S)N1Cc1ccon1	764410878	BVXJYOKTXDQXQQ-KFXAOSDLSA-N	402.497	3.634	10	20	HHCD	
C[C@@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCCC2)cc1	765623766	NWXCHZQWEADPMX-IQGLISFBSA-N	420.557	3.972	10	20	HHCD	
CN(C)Cc1c(C(=O)NCc2cccc(Br)c2O)oc2ccccc12	765764054	GTZWPRFUHHMHCX-UHFFFAOYSA-N	403.276	3.893	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(Cl)ccc1OC	765977727	IHQKJMILPAGELJ-HXUWFJFHSA-N	422.978	3.824	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	766346010	IGFWQGWAUYJZRQ-ZWKOTPCHSA-N	404.432	3.703	10	20	HHCD	
COCc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1	767312662	NJSQZSVGCMKYQA-LAUBAEHRSA-N	413.518	3.870	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2cccc(Cl)c2)cc1Cl	768867994	ZOUWWKCWMBWCNW-BQYQJAHWSA-N	421.327	3.778	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Cn2c(SC(F)F)nc3ccccc32)c1	768909875	BZRAZQHGZDFGHO-NSHDSACASA-N	407.442	3.943	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(Br)c(O)c3)c2)CC1	771638079	YVQPJHDSZGNSBB-UHFFFAOYSA-N	404.308	3.549	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3ccc4nnc(C(C)(C)C)n4n3)cc2F)C[C@@H](C)O1	772648884	GKDWRRVJVNXCQP-HUUCEWRRSA-N	412.513	3.787	10	20	HHCD	
CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773026440	RDUVTWMBVHHAHM-UWJYYQICSA-N	413.587	3.790	10	20	HHCD	
O=C(Nc1ccc(C2CC2)nn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	773282256	XCVYVVWIXFFJMF-UHFFFAOYSA-N	403.433	3.746	10	20	HHCD	
CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	775259392	ISAHQZWNVHYKJA-DYESRHJHSA-N	413.587	3.771	10	20	HHCD	
COc1cccc([C@@H](C)N2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)c1	776244380	IWUUILURNYGVGP-RBUKOAKNSA-N	410.562	3.911	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	777751538	FPKKDRAQSFFZLU-GOSISDBHSA-N	419.884	3.912	10	20	HHCD	
CCOc1ccc2cc(C(=O)N(CC(=O)OC)Cc3cc(Cl)ccc3O)[nH]c2c1	777828955	QOAVJXUCJAREAY-UHFFFAOYSA-N	416.861	3.741	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnc1N1CCCC[C@H]1C	780656357	QCEABDAJYSQTOL-LJQANCHMSA-N	423.561	3.927	10	20	HHCD	
C[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H]2CCCC[C@@H]12	782811414	YBQGNTOAOSSWIR-KMFMINBZSA-N	420.556	3.905	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	783502455	DPWAMFBFGVTHQR-GOSISDBHSA-N	421.557	3.666	10	20	HHCD	
Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	784621982	JIGHQMUPSUVWAU-HUUCEWRRSA-N	402.514	3.629	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c(OC)c1	785544409	SVTGCHRTXHSYAV-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nn(-c2cccc(F)c2)cc1O	785755546	RBJXEOTXOBSQQK-UHFFFAOYSA-N	408.477	3.980	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccccc1OC(C)C	787881688	WWVKMLVUKWIRDH-GOSISDBHSA-N	411.546	3.766	10	20	HHCD	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788936993	LXHXOQQYVRAJCX-CTNGQTDRSA-N	405.542	3.616	10	20	HHCD	
CCN(Cc1ccccc1Cl)C(=O)C(=O)NCc1ccc(N(CC)CC)cc1	788966202	KFRSWJKDTLYPLT-UHFFFAOYSA-N	401.938	3.851	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cn1	790106336	DEUOVHSRWJXWHK-ATVHPVEESA-N	415.540	3.579	10	20	HHCD	
COCC1(CN[C@H](C)c2cc(OC)ccc2O)CCN(C(=O)OC(C)(C)C)CC1	793573807	GBCBLGNFPSRAKO-MRXNPFEDSA-N	408.539	3.715	10	20	HHCD	
COc1ccc(CNC(=O)c2cc3c(OC)ccc(Br)c3[nH]2)c(O)c1	794377264	QPKOZHBPQNEQBD-UHFFFAOYSA-N	405.248	3.583	10	20	HHCD	
COc1cc(Br)cc(CNc2cc(N3CCOCC3)ccc2C)c1O	797469555	QCAAJUJJEKRLBA-UHFFFAOYSA-N	407.308	3.920	10	20	HHCD	
C[C@H](NCCCNS(=O)(=O)c1ccccc1Cl)c1cc(Cl)ccc1O	798935377	PKJIOUIORVNMGH-LBPRGKRZSA-N	403.331	3.718	10	20	HHCD	
CC(C)C[C@@H]1CCCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	803306384	SXYMCBPLESJUQQ-UGKGYDQZSA-N	415.578	3.518	10	20	HHCD	
O=C(NCc1ccccc1Cn1cccn1)NCc1cc(Cl)cc(Cl)c1O	804865628	LKADLHBHZZYXGA-UHFFFAOYSA-N	405.285	3.943	10	20	HHCD	
C[C@@H](NCCCn1cc(Br)cn1)c1cc(Br)cc(F)c1O	806660042	OKFPVLGDIIVUOX-SECBINFHSA-N	421.108	3.994	10	20	HHCD	
CC[C@H](C)N[C@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccco1	807441977	SSKOSLNBFWKLRJ-GHTZIAJQSA-N	414.550	3.639	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NOC3CCCCC3)cc2Cl)C1	807952891	QYWUJZLGKIRXNV-OAHLLOKOSA-N	407.942	3.573	10	20	HHCD	
COC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1	808238360	YFSCMGWOCHBIAA-IBGZPJMESA-N	421.900	3.503	10	20	HHCD	
COCCOCc1ccc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	808382187	VOCFSSLTABWENB-RTBURBONSA-N	416.537	3.892	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(N2CCCOC2=O)cc1	814448050	KSZACPMAPCBROC-QGZVFWFLSA-N	422.529	3.976	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	916220611	PXIUUPBDYOBFRI-IRLDBZIGSA-N	420.513	3.606	10	20	HHCD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	916680574	NGHYZYFSAZFZSK-IBGZPJMESA-N	411.502	3.616	10	20	HHCD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2O)cc1	917309384	SNOQRANXNQBLEK-UHFFFAOYSA-N	424.522	3.880	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCn1cc(Br)cn1	917627288	BKOSYQZPRMPAPM-UHFFFAOYSA-N	405.340	3.685	10	20	HHCD	
CCOc1ccc(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	917707992	AUTQYCKLVTZYPI-CALCHBBNSA-N	400.494	3.697	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)cc1	918247199	ZSNZDYLJCBRJDG-UHFFFAOYSA-N	416.525	3.644	10	20	HHCD	
Cc1cccc(C)c1OC[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	919923630	MGXQIYPNKJMLQT-GOSISDBHSA-N	415.509	3.546	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)c(C)n1-c1cccc(Cl)c1	920662848	SGLXPJQSPUJOQE-LBPRGKRZSA-N	402.800	3.971	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(Cl)c1	54284289	BMSVDRUVHUOKFK-UHFFFAOYSA-N	410.905	3.601	10	20	HHCD	
O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NCc1ccccn1	110652322	LIJJCKPYAONJLD-LJQANCHMSA-N	408.527	3.533	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1F	726146394	KLHUMJKJEXCLOT-UHFFFAOYSA-N	408.433	3.937	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCNC(=O)CC2CCCCC2)C2CC2)cc1	726259684	FXZIEOWYZVMQGG-UHFFFAOYSA-N	400.567	3.513	10	20	HHCD	
CN(C)[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	726568014	YMRBEWSKNRMMOM-FQEVSTJZSA-N	403.473	3.676	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H](C(C)C)N3CCC(C)CC3)CC2)cc1	726612497	BBKROLHBCPQRMN-HSZRJFAPSA-N	416.610	3.720	10	20	HHCD	
CC(C)(C)c1ccc([C@@H](O)CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	726873066	OBIAUUIFFCHIER-QHCPKHFHSA-N	410.558	3.951	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Br)c2C)cc1	727038340	NZSSZPNXOCDROT-UHFFFAOYSA-N	418.335	3.859	10	20	HHCD	
CN(Cc1ccccc1)CC1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	727601986	GWXQNGRUDUIZFF-UHFFFAOYSA-N	412.553	3.945	10	20	HHCD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	727850720	HZTVQYOBJUZXFO-SBHAEUEKSA-N	400.567	3.546	10	20	HHCD	
Cc1cc(C(=O)Oc2cccc(NC(=O)c3cnn(C)c3)c2)c(C)n1-c1ccccn1	727956473	SSXCCFDRDQRWIV-UHFFFAOYSA-N	415.453	3.694	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(CSC)cc3)cc2F)CC1	730193117	VWQUNMGVNXWVBK-UHFFFAOYSA-N	401.551	3.761	10	20	HHCD	
O=C(NCCCN1CCCCC1=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	730387438	GUADWHXUHAJYAH-UHFFFAOYSA-N	407.474	3.559	10	20	HHCD	
CCCO[C@@H]1CCCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	731117045	MYOHILIJXKAOIR-QWFCFKBJSA-N	421.557	3.930	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)CC(=O)N(C)C2CCCCC2)cc1F	731364745	ZHUQXVWMUJTGEX-UHFFFAOYSA-N	406.546	3.604	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(NS(=O)(=O)CC)cc2)cc1F	731403976	CNHQTPGRVLMBKT-UHFFFAOYSA-N	422.526	3.755	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccn(C(C)C)n3)c2C)cc1	733583625	KXVVQNKIRUDLSW-UHFFFAOYSA-N	423.469	3.698	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)c1	734067378	NFGOJEIFIXUPON-UHFFFAOYSA-N	402.454	3.739	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(F)c(NC(C)=O)c2)n1	737379584	JDEFWXYSTQFJDP-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
CSc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	740826592	MKPSYWZLROLSNG-QGZVFWFLSA-N	414.571	3.701	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CC[C@H]2CCCCO2)NC(=O)OC(C)(C)C)cc1	742752133	YVHQAACFAFLXPT-WOJBJXKFSA-N	419.566	3.784	10	20	HHCD	
CC(C)Oc1ncccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	743414190	NPJUCQILCXDERQ-UHFFFAOYSA-N	424.545	3.893	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(N(C)C)c(F)c3)cc2F)C[C@@H](C)O1	743830689	VBGCTAKGBANCNE-HUUCEWRRSA-N	403.473	3.574	10	20	HHCD	
C[C@H]1Cc2ccccc2N1CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	744887637	SLPTUDFUDXXLMB-RXVVDRJESA-N	409.530	3.534	10	20	HHCD	
CC(C)C[C@H](CCO)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	745800614	SIHJYADVUCSAMJ-INIZCTEOSA-N	413.509	3.601	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](c3ncc(C)s3)C3CC3)CC2)cc1	745866405	XMKIVCYLFOELEC-IBGZPJMESA-N	400.548	3.833	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3sccc3C)cc2F)CC1	747870120	OMMYKQQMZSHATI-ROUUACIJSA-N	401.551	3.757	10	20	HHCD	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccccc4O)cc3C2=O)c1	748354933	PVDXSVZURAXVHK-UHFFFAOYSA-N	400.434	3.740	10	20	HHCD	
CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cn1	754452626	CLNVCSMNSDAKSO-RCRUUEGKSA-N	424.570	3.565	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	756132212	ZSZMCWWWLNJWFT-UHFFFAOYSA-N	408.307	3.826	10	20	HHCD	
C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1cc2c(cc1O)CCCC2	756467673	WUQQCLHILAWKAR-IBGZPJMESA-N	410.558	3.833	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CN1Cc1ccccc1	757775593	YFYWLFCEKQZXRN-OIBXWCBGSA-N	423.557	3.746	10	20	HHCD	
CC(=O)[C@@H]1C[C@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)C1(C)C	758807060	ZDNKOTPFTKKJPZ-FCEUIQTBSA-N	400.563	3.902	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCc3c(F)cc(Br)cc3C2)cc1	759177453	WOXIBKSNYNBHRT-UHFFFAOYSA-N	406.299	3.922	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC(C)(C)CS(C)(=O)=O)cc1	759301972	VQDURILEVGJIET-UHFFFAOYSA-N	402.520	3.721	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)c(C)n1Cc1ccco1	759596374	VAPZQWZOJXLFBZ-MNDMWVCDSA-N	409.438	3.985	10	20	HHCD	
C[C@H](O)C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	759610589	MNUGWFVXUHMMHJ-YUXAGFNASA-N	412.530	3.638	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc(OC)c1OC	759879347	RSSATAAKMVKZMG-UHFFFAOYSA-N	421.881	3.596	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCN(C2CCCCC2)CC1	761573856	HAFYULCBORENEF-UHFFFAOYSA-N	405.926	3.607	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)cc1	765219254	IUUFDCRRJMCXAD-UHFFFAOYSA-N	423.538	3.564	10	20	HHCD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1O	765764125	JSIPDSFTWLCXPM-SFHVURJKSA-N	415.328	3.712	10	20	HHCD	
COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1cc(F)cc(C(C)=O)c1O	766974948	JJYDPWGTOVBFRS-QGZVFWFLSA-N	424.266	3.843	10	20	HHCD	
CCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1	767382897	XLOLSZJUMYMTEL-UHFFFAOYSA-N	422.573	3.951	10	20	HHCD	
CCCCCn1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)n1	768119782	VWRDDBWQXCPGNL-NRFANRHFSA-N	414.550	3.978	10	20	HHCD	
CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2ccccc2O)cc1	769364926	KNVDMUZKTVGHSO-UHFFFAOYSA-N	413.520	3.877	10	20	HHCD	
CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769767235	DPJBZRQBAJBNDM-INIZCTEOSA-N	408.545	3.905	10	20	HHCD	
COc1cccc(O)c1CNc1ccccc1N1CCN(CCc2ccncc2)CC1	770412468	KMGGJVKDYUKHPP-UHFFFAOYSA-N	418.541	3.773	10	20	HHCD	
CN(C)C(=O)Cn1ccc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)n1	772102761	VBNBRPOLHVTIIZ-UHFFFAOYSA-N	419.489	3.705	10	20	HHCD	
CC[C@H](NC[C@H](O)COc1ccccc1Br)c1ccc(N(C)C)cc1	773054652	VYXRATHCAZIDJJ-HKUYNNGSSA-N	407.352	3.996	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1	774924389	PKGWLCYXOYLDFA-OAHLLOKOSA-N	419.447	3.799	10	20	HHCD	
COc1ccc(O)c(CNC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1	775983595	OATMXRNNZCSOQM-UHFFFAOYSA-N	408.420	3.814	10	20	HHCD	
CC[C@H](NCc1cc(Br)cc(Br)c1O)[C@H](O)C(F)(F)F	776253645	MXSJNKAIEQARIE-ONGXEEELSA-N	421.051	3.709	10	20	HHCD	
CCOc1cc(Cl)ccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	778768979	ZOVLBJFOMRHDDO-UHFFFAOYSA-N	402.922	3.877	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CC[C@@H](C(=O)NCC(F)(F)F)C3)c2C)c1	779242939	IQKUXQPCRQCASU-QGZVFWFLSA-N	421.463	3.852	10	20	HHCD	
Cc1cccc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1[N+](=O)[O-]	782344182	HIHMGXFMWLHKTL-UHFFFAOYSA-N	422.464	3.771	10	20	HHCD	
C[C@@H](NC(=O)c1nccnc1Sc1ccccc1)c1ccc(N2CCOCC2)cc1	783933333	MATALFIGGXTOBP-QGZVFWFLSA-N	420.538	3.955	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)cc1	785297881	UBJSANIYBIINJQ-INIZCTEOSA-N	420.465	3.884	10	20	HHCD	
CC[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)sc2C1	789371139	KLACTWQDFFYJHS-HNNXBMFYSA-N	412.559	3.513	10	20	HHCD	
CCSCc1ccccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	789905157	BBTHQBHZIYBPFL-SFHVURJKSA-N	411.571	3.571	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OCCCC(=O)O)c(Cl)c1	790415498	HHJXJARBVSPDMG-UHFFFAOYSA-N	413.879	3.652	10	20	HHCD	
O=C1/C(=C/c2cnn(Cc3ccccc3)c2Cl)SC(=S)N1Cc1ccon1	790593150	XKALTWJUAUBUBK-NVNXTCNLSA-N	416.915	3.974	10	20	HHCD	
CCc1c(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cnn1C(CC)CC	792206952	SZICLZMCUGSGFA-UHFFFAOYSA-N	413.566	3.860	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc4c(C(F)F)nn(C)c4s3)CC2)cc1F	792213721	YJPOBEPOHWASEN-UHFFFAOYSA-N	424.448	3.683	10	20	HHCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](c2cccc(C(F)(F)F)c2)O1	793704533	RGWXISFADGAFAL-ZQBYOIRZSA-N	409.404	3.799	10	20	HHCD	
COC(=O)C(C)(C)C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	795204414	PBFPLSJMYGBWMQ-INIZCTEOSA-N	402.516	3.590	10	20	HHCD	
FC(F)(F)c1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)[nH]n1	799334245	RWGXDJFEHVGEJI-UHFFFAOYSA-N	408.346	3.574	10	20	HHCD	
CC[C@@H](c1ccccc1)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C	800729483	WOCAGIIUZCZALF-IBGZPJMESA-N	409.509	3.831	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1	802610704	MKGSRLCMFUIIQF-UHFFFAOYSA-N	420.513	3.962	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](CO)c3nc(-c4ccccc4)no3)c2C)c1	804123372	UXAJTQMCCXLEPF-NRFANRHFSA-N	416.481	3.916	10	20	HHCD	
Cc1ccnc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1Cl	804373006	PFDROKLMQFWRPK-UHFFFAOYSA-N	412.900	3.911	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3cccc(Cl)c3)cc2)CC1	805025072	HWUPVNMRUUBWBU-UHFFFAOYSA-N	413.949	3.851	10	20	HHCD	
CC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)cc(Cl)c1O	806130000	NRICWICRQJVWFU-MRXNPFEDSA-N	403.331	3.630	10	20	HHCD	
CC[C@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)cc(Cl)c1O	806137571	PXOQCMRLXHRUHU-OXJNMPFZSA-N	422.312	3.995	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl	806866634	MIAVLIMMGQBLBD-OAHLLOKOSA-N	415.921	3.555	10	20	HHCD	
CCS[C@H]1CCC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	809237348	VAMLSDPNLODFIZ-FPOVZHCZSA-N	417.619	3.816	10	20	HHCD	
CC[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cc(Br)ccc1O	812742345	VBWQANXNCYIVLT-GOSISDBHSA-N	418.335	3.650	10	20	HHCD	
Fc1ccc([C@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2nc[nH]n2)cc1	815584877	RNQPUUABBJWKGE-APWZRJJASA-N	417.435	3.893	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3cccc(OC4CCCC4)c3)CC2)cc1	913072038	WVIXXNVLTQDHGH-UHFFFAOYSA-N	409.530	3.777	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1[N+](=O)[O-]	916456861	WMPOZQUZMRDWDQ-UHFFFAOYSA-N	423.391	3.689	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(-n4cccn4)cc3)cc2F)C[C@@H](C)O1	916677248	UFTSRWYVLPWEMC-IAGOWNOFSA-N	423.492	3.947	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2Br)cc1	918430317	WTWYNHSTTZDVKA-UHFFFAOYSA-N	422.298	3.689	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)C1	919964795	ZKMDSNFVYOWXLF-CQSZACIVSA-N	422.407	3.927	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc(Cl)cc3C)CC2)cc1	920252933	RNOSEEABCOASTF-MDZDMXLPSA-N	413.905	3.501	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(OC2CCCC2)nc1)c1ccc(N2CCOCC2)cc1	920920846	NAAKAFNLGPVDEL-GOSISDBHSA-N	424.545	3.800	10	20	HHCD	
COc1cc(N2CCN(Cc3c(Cl)cccc3N(C)C)CC2)cc(OC)c1OC	1254815412	VGZDHLGORYELGQ-UHFFFAOYSA-N	419.953	3.754	10	20	HHCD	
CCOc1ccc(N2CCN([C@@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)CC2)cc1	1324213238	JYIMAJWAMMTAOA-WZONZLPQSA-N	411.521	3.709	10	20	HHCD	
Cc1nc(-c2ccc3c(c2)CCN3C(=O)COC(=O)c2cc(O)cs2)cs1	1327814666	XJOJYGBWKFSUDF-UHFFFAOYSA-N	400.481	3.632	10	20	HHCD	
Cc1onc(-c2cccnc2)c1C(=O)N1CCN(C)c2cc(Br)ccc21	577796420	UZYCFYILIVHGNP-UHFFFAOYSA-N	413.275	3.904	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3csc(-c4ccccn4)n3)SC2=S)cc1	726626315	APUNHEGTCBUYLN-DHDCSXOGSA-N	424.532	3.710	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3cccc4c3OCCO4)sc2C)cc1	727245434	DWLTVHHIJDLLKZ-UHFFFAOYSA-N	402.497	3.999	10	20	HHCD	
Cc1cc(O)c(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1C	727424276	DIYQFFIJYRCPJF-INIZCTEOSA-N	408.498	3.823	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCN3CCc4ccccc4C3)cc2)CC1	731116905	KDMWGTRXEVZPLR-UHFFFAOYSA-N	406.574	3.780	10	20	HHCD	
O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccc(N=Nc4ccccc4)cc3)ccc21	731594412	GAVSUJXNQSOFJT-UHFFFAOYSA-N	406.423	3.786	10	20	HHCD	
COc1ccc(OC)c(CN(CCO)C(=O)c2ccc(-n3c(C)ccc3C)cc2)c1	732292223	JZBCTCRQBWGTIW-UHFFFAOYSA-N	408.498	3.746	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cc(Br)cs2)cs1)c1cccnc1	733730687	CTCUUVMAORGJFD-UHFFFAOYSA-N	402.320	3.830	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1	734017053	ZABVOBITZRMBEY-GOSISDBHSA-N	404.894	3.515	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1	734064983	PJLLECXTIPNDHV-SFHVURJKSA-N	421.900	3.830	10	20	HHCD	
Cn1cc(N2CC[C@@H](NC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2=O)cn1	735566382	WOZSWTWSSQQQFP-LJQANCHMSA-N	403.446	3.763	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	740908162	XHHGTQFZKMICMJ-RDTXWAMCSA-N	421.875	3.810	10	20	HHCD	
Cn1cc(-c2csc(NS(=O)(=O)c3ccc(OC4CCCC4)cc3)n2)cn1	743049986	MDAZAFCEQCIRGP-UHFFFAOYSA-N	404.517	3.666	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C	743156040	MXUYIDKPMISPRM-UHFFFAOYSA-N	419.547	3.913	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1	743183723	PFHPDEMUZDOFCY-UHFFFAOYSA-N	411.911	3.861	10	20	HHCD	
CN(C[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C	743552385	MTJQFALGSXJOOR-HXUWFJFHSA-N	416.566	3.828	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O	747075613	DROAZEMZCRBULY-UHFFFAOYSA-N	421.501	3.753	10	20	HHCD	
Cc1nccn1C[C@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	749197299	ZXSKMYFQUOKERE-GOSISDBHSA-N	409.534	3.899	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)cc1	750279847	QBKVOJRFYBZOGS-QFIPXVFZSA-N	403.567	3.793	10	20	HHCD	
CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	751229131	UPSBLMCNFWIWRH-MRXNPFEDSA-N	420.550	3.779	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1	753635938	WMXGHDPTRRAXAV-LLVKDONJSA-N	416.275	3.611	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1	753636291	LSEFRWSLXQLFAN-OAHLLOKOSA-N	420.444	3.574	10	20	HHCD	
COc1cccc(C[C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C2CC2)c1	753860811	VXBPOFSEHUXETC-XUZZJYLKSA-N	407.558	3.508	10	20	HHCD	
C[C@@H]1C[C@@H](NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(O)ccc(F)c21	756474448	AVGSUADLLRVSHY-DNVCBOLYSA-N	415.484	3.547	10	20	HHCD	
COc1cc(N2CCN(c3ncc(Br)cc3C)CC2)cc(OC)c1OC	758940208	JVYFMVVFFVLOTJ-UHFFFAOYSA-N	422.323	3.505	10	20	HHCD	
O=C(c1cn(Cc2cccc(F)c2)nn1)N(Cc1ccco1)Cc1ccccc1O	759245017	BBZZUWLGDZKZIE-UHFFFAOYSA-N	406.417	3.607	10	20	HHCD	
CO[C@](C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1	761983390	REHKAMHGIMYHPG-UGKGYDQZSA-N	402.922	3.688	10	20	HHCD	
Cc1csc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)n1	762072400	DIEICMQZUMYYDP-UHFFFAOYSA-N	420.497	3.736	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3c(F)cccc3F)cc2F)CC1	763573939	XLORDDHDLMUXHQ-OAHLLOKOSA-N	405.464	3.666	10	20	HHCD	
Cc1nc(CCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sc1C	763592727	WLHNISRIPACKQG-ZIAGYGMSSA-N	420.554	3.555	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1	768545988	JMADOKKYVQYNEQ-XYOKQWHBSA-N	404.470	3.658	10	20	HHCD	
CN(CCOc1ccccc1Br)Cc1ccc(N2CCOCC2)cc1	768696488	LAQOKZOOEKFIQU-UHFFFAOYSA-N	405.336	3.797	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)NC(=O)OC(C)(C)C	769291198	KRFNYBCGTQNBOI-UHFFFAOYSA-N	415.328	3.807	10	20	HHCD	
Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)c1	769871718	LHUVBMYBHKCDRP-LJQANCHMSA-N	402.516	3.830	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(CCN3CCC(C(N)=O)CC3)cc2)cc1	770552471	ZVSVBIPWZHPVSI-UHFFFAOYSA-N	408.590	3.885	10	20	HHCD	
C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1	773121098	PPSXYUKCMMPKKE-AVRDEDQJSA-N	411.521	3.504	10	20	HHCD	
C[C@@H](NC(=O)NCCc1ccc(OCC(F)(F)F)nc1)c1ccc(N(C)C)cc1	773615160	XDSUENJCFPIZBX-CQSZACIVSA-N	410.440	3.692	10	20	HHCD	
CCOc1cccc([C@H]2C[C@H]2NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	775774359	PKQCBOQOSFWECO-DHIUTWEWSA-N	409.530	3.619	10	20	HHCD	
COC(=O)N1CCC([C@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)CC1	776860685	QAFKYFBSXONWJP-WDEREUQCSA-N	403.292	3.811	10	20	HHCD	
COCCn1cc2c(n1)[C@H](NC(=O)c1cc(C)n(-c3ccc(OC)cc3)c1C)CCC2	780436169	JKHOPQOZGJFMLO-JOCHJYFZSA-N	422.529	3.753	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(N(C)C)nc4ccccc34)CC2)cc1	780981156	XQTQPRHNUKOIHF-UHFFFAOYSA-N	404.514	3.708	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(CS(C)(=O)=O)c1	782743496	ICRMKTMYRFXWGB-UHFFFAOYSA-N	403.548	3.740	10	20	HHCD	
CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C	783314347	MKLHCYAYWJHIPX-UHFFFAOYSA-N	424.545	3.704	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccnc2N2CCCCC2)C2CCCCC2)cc1	784057739	DELFZQDHNHDCSE-UHFFFAOYSA-N	421.545	3.959	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3ncc(Cl)cc3Br)cc2)C1	784099738	RLYZMPHGPDBNOU-ZDUSSCGKSA-N	423.742	3.811	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1c(F)cccc1Cl	786912777	PFTMSMRPYHFPDQ-UHFFFAOYSA-N	405.901	3.599	10	20	HHCD	
CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	789010132	BNPGAGXJHGIACK-JKSUJKDBSA-N	419.477	3.798	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC4(CCOCC4)CC3)cc2F)C[C@H](C)O1	790673612	QDJXTPRTQAMTPT-ROUUACIJSA-N	419.541	3.542	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccn(-c2ccccc2)n1	791249431	GNGPPHVSGDRQRI-UHFFFAOYSA-N	420.513	3.875	10	20	HHCD	
COC(=O)Cc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1	792408311	BWWAPXJXFLYCMP-UHFFFAOYSA-N	422.485	3.690	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1	799885171	BOTLNSJGQVAMOY-QHCPKHFHSA-N	418.541	3.935	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3c(F)cccc3SC)CC2)cc1	805756845	MGFDJOXAVHFOSP-UHFFFAOYSA-N	403.523	3.978	10	20	HHCD	
Cc1noc(C)c1C(C)(C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	806457215	GVJOUPZZRSTCAL-OKILXGFUSA-N	418.513	3.779	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(C(=O)Nc4nccs4)cc3)cc2)CC1	809185153	NWTSUGDNTUQOPO-UHFFFAOYSA-N	407.543	3.759	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)O[C@@H]3CCCN(Cc4ncccn4)C3)c2C)cc1	810738000	OEKROFWNZPRUKK-OAQYLSRUSA-N	420.513	3.714	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](N[C@@H](c3nc[nH]n3)c3cccs3)C2)cc1	815584851	QRAKJFXAAYIDJZ-CXAGYDPISA-N	405.474	3.816	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1ccc(N2CCOCC2)cc1	857758565	KTEVSIQBSZLJLW-SFHVURJKSA-N	404.514	3.530	10	20	HHCD	
C[C@H](NC(=O)c1cccs1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	914456357	YBEUASOJIWZOHP-INIZCTEOSA-N	411.527	3.754	10	20	HHCD	
CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCCN(c2ccc(OC)cc2)CC1	917090017	UODGXBAFIGFSRR-OAQYLSRUSA-N	413.587	3.805	10	20	HHCD	
CC(C)COc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc1	917912393	PYLDYRCKXKCOET-UHFFFAOYSA-N	420.600	3.753	10	20	HHCD	
COc1ccc(C)cc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	918211642	RBRGQDAHHSFVTC-IRXDYDNUSA-N	415.509	3.756	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cn(C)nc2C(F)(F)F)c(C)n1-c1ccccc1	919462187	LPWDLDUCXYQCCV-UHFFFAOYSA-N	405.376	3.886	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccc(N2CCOCC2)cc1	920922248	ABLXGCBMCDIYSC-ZDUSSCGKSA-N	422.312	3.646	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccc(S(=O)(=O)N2CCCC2)cc1	1116565163	JRAXWWRYUUVLNH-LPHOPBHVSA-N	400.544	3.823	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(OC)c(OC(F)F)c3)CC2)cc1	1319398101	YLQZQMGNWINVEE-UHFFFAOYSA-N	406.429	3.658	10	20	HHCD	
CCOc1ccc(N2CCN(c3cc(C(F)(F)F)c(C(=O)OC)cn3)CC2)cc1	1322485268	KYSMQMLMENPJEB-UHFFFAOYSA-N	409.408	3.612	10	20	HHCD	
CCOc1ccc(N2CCN(C[C@H](O)c3cccc(Br)c3)CC2)cc1	1324605248	SQWNWSCKFOGIFJ-FQEVSTJZSA-N	405.336	3.703	10	20	HHCD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)s1	1788424346	WWYVLRUMKFBGJF-UHFFFAOYSA-N	423.494	3.924	10	20	HHCD	
COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)C2)cc1	3047587	PWBXQAFXEBOSQR-AWEZNQCLSA-N	414.449	3.519	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3ccc(F)c(Br)c3)CC2)cc1	108429075	BDHDMSPATBCDEQ-UHFFFAOYSA-N	421.310	3.878	10	20	HHCD	
Cc1c(CNC(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n(C)c2ccccc12	409602747	SVAUIUVMKNHZRL-SFHVURJKSA-N	406.530	3.848	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C)nn3-c3ccc(C)nn3)ccc21	432323047	OMZJIDZBLNHETL-UHFFFAOYSA-N	418.501	3.749	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(N4CCOCC4)c3)ccc21	490742220	BPSYORICHUGDOO-UHFFFAOYSA-N	421.541	3.671	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](C)c2cccc(OC(F)F)c2)n(C)c2ccccc12	575237481	YHJKWVGCDMWHNY-CQSZACIVSA-N	415.440	3.582	10	20	HHCD	
CCN(CC)C(=O)[C@@H](Cc1ccccc1)NCc1cccc(Br)c1O	725841404	FHKAIOJVPPKGSV-GOSISDBHSA-N	405.336	3.724	10	20	HHCD	
CN(c1ccccc1)c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	728699421	ULQTWDCAFOVSEJ-XMHGGMMESA-N	414.421	3.824	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](c1ccccc1)c1nccs1	728950177	ZCYLFHPDCRICHI-HXUWFJFHSA-N	408.527	3.569	10	20	HHCD	
COCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1	730463994	AYSOLHDXNYIVLV-GZTJUZNOSA-N	415.492	3.816	10	20	HHCD	
COc1cc(Cl)ccc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	730827237	CURDQJBSAGXXQT-UHFFFAOYSA-N	417.937	3.557	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3c(nc2O)CCCC3)cc1	731621984	OYSOWEFFAKLEQR-HXUWFJFHSA-N	409.530	3.553	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)CCC[S@](=O)c1ccc(Br)cc1	731871341	CBVXMUNNFSBIAD-DEOSSOPVSA-N	410.333	3.701	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1cccnc1	733968912	XVVYKECBYIUBJN-RVDMUPIBSA-N	403.554	3.788	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(N=c4cc[nH]cc4)cc3)CC2)cc1	735852403	IDOGVYDXHKTLPZ-UHFFFAOYSA-N	402.498	3.608	10	20	HHCD	
CCc1ccc([C@@H]2COCCN2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1	736380986	SUVINLJQYMIFOQ-UWJYYQICSA-N	413.518	3.523	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3c(ccn3CC(C)C)c2)c1	737183762	MZQSPDAOEWSRKV-OAHLLOKOSA-N	409.486	3.827	10	20	HHCD	
CC(C)[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N1C(=O)c2ccccc2C1=O	742483016	BTCKGWAVAFHJCM-JOCHJYFZSA-N	419.525	3.614	10	20	HHCD	
COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1N1CCOC1=O	742946321	OFJFPXNAYYJDMB-UHFFFAOYSA-N	406.442	3.707	10	20	HHCD	
CCC(CC)N1C[C@H](C(=O)N(CC)Cc2cc(Br)ccc2O)CC1=O	743809365	UTTUSVJXAIDDRN-CQSZACIVSA-N	411.340	3.540	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)c2)oc1C	743958125	LZAOBAWRHUPTER-UHFFFAOYSA-N	419.481	3.798	10	20	HHCD	
COc1ccc(N(Cc2csc(CS(C)(=O)=O)n2)Cc2cccs2)cc1	744396647	OOWJRPMLTABOOT-UHFFFAOYSA-N	408.570	3.965	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C[C@](C)(O)C(F)(F)F)c2C)cc1F	744652417	JKZSFZLPNHKHQD-IBGZPJMESA-N	415.383	3.971	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCCC[C@@H]3CNC(=O)c3ccccc3)ccc21	746756026	TYYKMFISXSFXOB-JOCHJYFZSA-N	420.557	3.563	10	20	HHCD	
COc1cc(Br)ccc1C(=O)NCc1ccc(N2CCSCC2)cc1	748714277	GNLJNFXRLLFQFH-UHFFFAOYSA-N	421.360	3.941	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(Br)cc2Cl)c1	751316739	AGNRBZBVWHLIQG-VIFPVBQESA-N	420.712	3.856	10	20	HHCD	
Cc1cnc([C@H](C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	755019661	LIFLTIPKKUZPNK-ZDUSSCGKSA-N	405.479	3.516	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CSc3nc(-c4ccccc4)no3)CC2)cc1	755102073	FLUQGLUJLQXGIY-UHFFFAOYSA-N	424.526	3.576	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc(-n3ccnn3)c2)cc1	756639608	KQSCBEQIRVYLPF-UHFFFAOYSA-N	403.408	3.538	10	20	HHCD	
C[C@@H](NCCCO[C@H]1CCOC1)c1cc(Br)cc(Br)c1O	756649484	HKPBVMHMXIKFAV-PWSUYJOCSA-N	423.145	3.763	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)ccc1Br	757832049	ZNBDMZIMOVQPFJ-UHFFFAOYSA-N	422.298	3.641	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H](c3ccccc3)C3CC3)CC2)cc(OC)c1OC	759238162	CVXTVJNPZRXBTD-JOCHJYFZSA-N	410.514	3.555	10	20	HHCD	
CCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1	759473011	MNYAAWCDKLWMMX-LJQANCHMSA-N	400.504	3.550	10	20	HHCD	
CCOc1cc(Cl)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	759514930	YTLXCYYZWVHRCU-UHFFFAOYSA-N	402.878	3.578	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1	759590899	MVDLUTPRANCKEL-CQSZACIVSA-N	414.597	3.572	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1	760973080	DWDIWVZVFQSLFT-UHFFFAOYSA-N	414.767	3.909	10	20	HHCD	
Cc1cccc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)n1	761772397	JLUGBMBEFJWCNN-UHFFFAOYSA-N	414.468	3.675	10	20	HHCD	
Cc1sc(Br)nc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	764628862	YRAUMRNPCCHFFO-ZDUSSCGKSA-N	411.321	3.741	10	20	HHCD	
COc1cc(Br)cc(CN(C)Cc2ccccc2N2CCOCC2)c1O	768206063	HAURKWJUHCMLMT-UHFFFAOYSA-N	421.335	3.632	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ncn(-c3ccccc3)n2)cc1	769265061	PVIVZNXDARJMQW-UHFFFAOYSA-N	403.408	3.538	10	20	HHCD	
COc1cccc(CNC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1O	769508211	RQHPFEITLISDKG-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
COc1ccccc1COC1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1	769927331	DNUCNWLSJSRELX-UHFFFAOYSA-N	402.447	3.806	10	20	HHCD	
Cc1cc(C(=O)NCCCCN2CCC[C@@H]2CO)c(C)n1-c1cccc(Cl)c1	770371856	XHGFONHLAJBPLT-HXUWFJFHSA-N	403.954	3.714	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)CC(F)(F)F)c(C)n1-c1cccc(Br)c1	771196831	NIEOMXMCPJYQJS-ZDUSSCGKSA-N	419.241	3.900	10	20	HHCD	
C[C@@H](NC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773284031	QAEQUTBGEXQZLC-IAGOWNOFSA-N	404.555	3.760	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)c1ccc(N(C)C)cc1	773854063	AKKAOCSGYBOZCG-NSHDSACASA-N	424.726	3.984	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1	775371773	ROIKGMZSUDHLBM-UGSOOPFHSA-N	406.429	3.848	10	20	HHCD	
CC[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cc(Br)ccc1O	775488933	KSBVQFWLMAKQKX-KRWDZBQOSA-N	412.349	3.810	10	20	HHCD	
Cc1sc2nc(CN3CCN(Cc4cccc(Cl)c4O)CC3)nc(O)c2c1C	775646894	PTYMPFOHEUWHLU-UHFFFAOYSA-N	418.950	3.691	10	20	HHCD	
C[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc2N1C(=O)/C=C\c1cccnc1	776972784	AXVRDACHVGRXFJ-ONWGYGJUSA-N	410.477	3.972	10	20	HHCD	
CCCc1nc(C)c(NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)s1	777131481	LRCRVZXNVHOTCC-UHFFFAOYSA-N	406.527	3.644	10	20	HHCD	
COc1ccc(O)c(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1	777483252	KGWWTUYJDOCEQM-JOCHJYFZSA-N	415.486	3.823	10	20	HHCD	
CC(C)(C)OC(=O)c1cccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1	777870334	RJXCZDKMXMNKBW-SDNWHVSQSA-N	407.513	3.708	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1	778426254	ISKZVNGMJMHGQB-SFHVURJKSA-N	401.551	3.891	10	20	HHCD	
COCC[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(C)o1	778630861	QRJKOTWFJVPNCE-YLJYHZDGSA-N	401.507	3.563	10	20	HHCD	
Cc1cccnc1C(F)(F)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	782677144	RMEJREWJQJSLHB-HUUCEWRRSA-N	407.436	3.551	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(Oc4cc(C)ccn4)CC3)CC2)cc1	782718134	JPRKDGDNUXOWJW-UHFFFAOYSA-N	424.545	3.620	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccc(Cl)c1Cl	786934729	QYIUAOXKJTUUNG-UHFFFAOYSA-N	408.329	3.724	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC1CCC(c2ccccc2)CC1	787320688	SXIMDGXCKFYOJY-UHFFFAOYSA-N	403.526	3.522	10	20	HHCD	
Cc1cc(C(=O)N2CCn3cnnc3[C@H]2C)c(C)n1-c1ccccc1Br	791161032	HMLQHFLWOAJJLU-CQSZACIVSA-N	414.307	3.665	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cc(-c3ccccc3)ccc2Cl)c1O	792341715	REKRUGJNPARUNX-UHFFFAOYSA-N	410.857	3.976	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(O)c1	793042886	LQEUSBCVUODMFZ-ZDUSSCGKSA-N	410.301	3.786	10	20	HHCD	
C[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2c(c1)OCO2	794270458	GHVAKIMENPJMHP-CQSZACIVSA-N	418.440	3.905	10	20	HHCD	
CNC(=O)COc1ccc(N[C@H](C)c2cc(Br)cc(F)c2O)c(C)c1	794838266	AOUAJBCQGBXUPF-LLVKDONJSA-N	411.271	3.900	10	20	HHCD	
C[C@@H]1CN(C(=O)c2ccc(NCc3cc(Cl)cc([N+](=O)[O-])c3O)cc2)C[C@@H](C)O1	798082932	HIBUAOLWYDKLED-CHWSQXEVSA-N	419.865	3.815	10	20	HHCD	
COc1cc(Cl)cc(CNc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1O	798082953	HUKTYWUYIDIYFM-OKILXGFUSA-N	404.894	3.916	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)s1	806227964	UZQAKAIAHNGNPX-INIZCTEOSA-N	403.935	3.661	10	20	HHCD	
CC(C)CN(Cc1ccccc1F)C(=O)C(=O)NCCCSc1nccs1	806279823	ASPATCQJMYOBKJ-UHFFFAOYSA-N	409.552	3.565	10	20	HHCD	
Cc1cccc(CN(CC(C)C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1	807289305	PHRLMFHHSBBYSR-UHFFFAOYSA-N	405.542	3.672	10	20	HHCD	
COCc1nnc(-c2cccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)o1	807839222	AFXMHVCLWRSPBA-UHFFFAOYSA-N	408.241	3.825	10	20	HHCD	
Cc1ccc([C@@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)C(C)C)cc1	809506309	NQFSXIRJXALBOZ-SFHVURJKSA-N	401.488	3.910	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1	809819861	ZQVJPTRCXILIIJ-QMMMGPOBSA-N	421.258	3.655	10	20	HHCD	
CC[C@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1O	810209077	LKTSPJZWGYSJOD-QUCCMNQESA-N	408.464	3.871	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1OCCc2sccc21	813868409	GKBSXHGCYXNPTP-HWPZZCPQSA-N	411.321	3.718	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1C	916831416	CLNROCPMJUJBGG-UHFFFAOYSA-N	411.527	3.919	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(CC(N)=O)CC2)c(C)n1-c1ccc(F)c(Cl)c1	917129923	HXTDWBXMYJGDJD-UHFFFAOYSA-N	405.901	3.657	10	20	HHCD	
O=C(CCc1ccc2c(c1)CCO2)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1319292971	TUDHQMDXGWMLHB-HXUWFJFHSA-N	414.933	3.694	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCc3coc(-c4ccccc4)n3)CC2)cc1F	1319513056	FVALLRFZIYTZIJ-UHFFFAOYSA-N	424.476	3.564	10	20	HHCD	
CC(C)(NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCCC1	1321067597	CDBLIUNQALKPFE-GOSISDBHSA-N	400.567	3.546	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cncs2)C3)cc1	1845398126	BFGJIWWEKMIGQL-UHFFFAOYSA-N	420.538	3.681	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2ccccc2)n(C)c1=S	7317506	JUQDDFGPBOMPMH-UHFFFAOYSA-N	409.559	3.544	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCCNC(=O)c2ccc(F)cc2F)cc1	21412672	LXDUXHGZKWZDQP-UHFFFAOYSA-N	417.500	3.980	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1	108576726	WHFUGVIMQXUZBO-UHFFFAOYSA-N	422.504	3.989	10	20	HHCD	
Cn1ccnc1C(=O)c1ccc(NCc2ccc(N3CC=CC3)cc2)c([N+](=O)[O-])c1	301347979	KIFZFSWROQIAJM-UHFFFAOYSA-N	403.442	3.548	10	20	HHCD	
C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCOc2cc(N(C)C)ccc21	437018387	LHNODXUVEJMONS-ZDUSSCGKSA-N	405.292	3.708	10	20	HHCD	
Cc1c(CNC(=O)NCc2ccnc(OCC(F)(F)F)c2)n(C)c2ccccc12	471585698	NSEUSUNVWXVDFQ-UHFFFAOYSA-N	406.408	3.822	10	20	HHCD	
O=C(NCCc1ccn(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	726252442	GZHKJTZUYUFFEW-JOCHJYFZSA-N	420.513	3.511	10	20	HHCD	
O=C(COc1ccc2c(c1)CCC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566562	UFBDUWLUXBYIIG-UHFFFAOYSA-N	416.468	3.941	10	20	HHCD	
O=C(NCc1cccc([N+](=O)[O-])c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726613132	BWMBRQCKRVUAJA-UHFFFAOYSA-N	420.416	3.664	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC2CCCC2)nc1	727030714	WWCIYUWUQADNMR-UHFFFAOYSA-N	410.518	3.904	10	20	HHCD	
CCC(CC)N(CCOC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	728220280	JWOASKXXFRJCJG-IAGOWNOFSA-N	409.546	3.786	10	20	HHCD	
CC[C@@H](CC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(C)C	729759441	DEVQOTKIWSDTGX-SCTDSRPQSA-N	422.541	3.671	10	20	HHCD	
Cc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)C	732676104	HFPKTPWZWFYSOB-REWPJTCUSA-N	422.573	3.893	10	20	HHCD	
O=C(N[C@H](C(=O)NCCCSc1nccs1)c1ccccc1)c1ccccc1	733880540	MSSPGDKWORZZNX-SFHVURJKSA-N	411.552	3.913	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c1	734017646	UBAGHGBTZZPRJS-UHFFFAOYSA-N	414.483	3.780	10	20	HHCD	
O=C(NCCc1ccc(Br)cc1)NCc1ccc(N2CC=CC2)cc1	740918262	ZQYWHSFSZGXFLE-UHFFFAOYSA-N	400.320	3.867	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1Cc2cc(F)ccc2O1	742799376	KCBCXYLSQXGYRP-HNAYVOBHSA-N	406.404	3.516	10	20	HHCD	
CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	742800486	SMHZXYVOGZJAGB-HNNXBMFYSA-N	405.445	3.834	10	20	HHCD	
Cc1csc([C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)n1	743565354	VWNPQLMGGQVDOG-DNVCBOLYSA-N	400.548	3.800	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(SC)ncc1Cl	743808806	DWDBVHRPHGKZTA-UHFFFAOYSA-N	416.728	3.982	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1	744380802	KBOYRSHDHLIUTF-UHFFFAOYSA-N	423.538	3.508	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(C2CCCC2)CC1	745648508	RDABBQTVLCQUCF-UHFFFAOYSA-N	403.542	3.899	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C3CCOCC3)CC2)c(C)n1-c1ccc2c(c1)CCC2	747844538	MDNRBAKDSNEKMB-UHFFFAOYSA-N	421.585	3.562	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(OC[C@@H]4CCOC4)CC3)c2C)cc1	751913624	YMFALVMQLMBVGS-LJQANCHMSA-N	412.530	3.760	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3cc(Cl)ccc3F)cs2)cc1	751931767	SWJLWZWOYAABTH-UHFFFAOYSA-N	419.865	3.904	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(c2ncccc2F)C1	756163415	VSWBDSDFJWESNL-IBGZPJMESA-N	411.525	3.631	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3cc([N+](=O)[O-])ccc3O)cc2F)C[C@@H](C)O1	756421273	HGLMOKXWPQLMEI-RBSFLKMASA-N	403.454	3.904	10	20	HHCD	
CCn1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c(=O)c2cc(Cl)ccc21	758057396	VDGCZICJPJQXHU-LBPRGKRZSA-N	400.862	3.880	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(F)c1	758701688	NQVZUARVBGPKHF-GASCZTMLSA-N	419.472	3.586	10	20	HHCD	
CC[C@@H](CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1	759223034	ZXPXNYGPOKWPSU-SFHVURJKSA-N	412.530	3.945	10	20	HHCD	
COc1cc(N2CCN(Cc3coc(-c4ccc(C)cc4)n3)CC2)cc(OC)c1OC	759880120	WWVVUODFNSCBHV-UHFFFAOYSA-N	423.513	3.998	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1	760040538	SBBFVIAXTSAUPK-XFEAKLGESA-N	401.478	3.742	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(Br)cc2C(C)C)c1O	760898303	MQGCGKSWCSPDPV-UHFFFAOYSA-N	421.291	3.542	10	20	HHCD	
O=C(NCc1coc(-c2ccccc2)n1)NCc1cccc(Br)c1O	765516765	PNHVGWDZOYADKK-UHFFFAOYSA-N	402.248	3.809	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3cccc(NC(=O)N(C)C)c3)c2)CC1	767382954	YJOSTAWIRMIMQA-UHFFFAOYSA-N	409.534	3.563	10	20	HHCD	
CCCNC(=O)c1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1	767383375	NHHLJVDCCFOKDH-UHFFFAOYSA-N	408.546	3.609	10	20	HHCD	
CCOc1cc(NC2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)ncn1	767522699	IBRHDHKCUMEJAG-UHFFFAOYSA-N	400.523	3.661	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1	769109313	NZRJALDWCQZUCI-DHIUTWEWSA-N	403.530	3.986	10	20	HHCD	
CCO[C@H](C)c1nc(CN2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)cs1	769502267	IZBNINVQPKRWMB-MRXNPFEDSA-N	406.571	3.764	10	20	HHCD	
CCCC(=Cc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1)CCC	771059122	XMRLKQIATMUHDL-UHFFFAOYSA-N	412.534	3.953	10	20	HHCD	
C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1	772874748	GQEJIAMSMBUZCJ-WIYYLYMNSA-N	403.567	3.791	10	20	HHCD	
C[C@H]1CN(C(=O)COC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C[C@H](C)O1	775234795	LQDQVHBNGHLYLJ-IRXDYDNUSA-N	424.501	3.961	10	20	HHCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	775286379	FXHCCZIODQLVGM-UHFFFAOYSA-N	410.662	3.940	10	20	HHCD	
CC[C@@H](N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cc(Cl)ccc1O	775528421	YDQORBOHGGSPIO-RTBURBONSA-N	404.894	3.909	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](C)[C@H](OC)c3ccccc3F)CC2)cc1F	775776538	CYHKHJRCLMFNFP-VFNWGFHPSA-N	419.472	3.581	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)CC2)cc1F	778968231	NVWRXUQNPXVHIH-UHFFFAOYSA-N	420.897	3.902	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1O	779050960	SACZAEZACQLNDY-KSSFIOAISA-N	418.335	3.700	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(OCC(=O)Nc2ccccc2)c1	779479243	KYKIIJQLDZJUHO-ZRDIBKRKSA-N	404.422	3.767	10	20	HHCD	
COc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1O	781083935	IXVJIINGFYKXAF-XYJBSGBBSA-N	410.514	3.688	10	20	HHCD	
COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2cccs2)cs1	785542493	DBZPIVLMOMEFSW-UHFFFAOYSA-N	400.528	3.829	10	20	HHCD	
CSC1(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCC1	787244658	WIBHQTVWUFVYJK-CYBMUJFWSA-N	423.490	3.618	10	20	HHCD	
COc1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(OC(C)C)c1	789806536	PCXWSUXSTHMRDV-UHFFFAOYSA-N	402.466	3.593	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)cn1	790107156	CFQAYRWNHAHZAE-VBKFSLOCSA-N	419.597	3.670	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccnc3OCc3ccccc3F)CC2)cc1	790114423	SUPUWKGFZLPEJH-UHFFFAOYSA-N	421.472	3.771	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl	790409694	URTSBMQCHUODIU-UHFFFAOYSA-N	420.270	3.685	10	20	HHCD	
Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	797620808	XUDGXFMMUGOQIE-HNNXBMFYSA-N	401.532	3.712	10	20	HHCD	
Cc1ccc([C@@H](NCc2cccc(Br)c2O)[C@H](C)S(C)(=O)=O)cc1	798088847	WAHMCDYQWLTTTQ-GUYCJALGSA-N	412.349	3.727	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@@H]1CCN(Cc2ccccc2)CC1(C)C	801583397	VAKSLIHRUZEBPD-XMMPIXPASA-N	422.617	3.601	10	20	HHCD	
COc1cccc(CNC(=O)Nc2nc(-c3ccc(SC)cc3)ns2)c1O	809928357	PEWWGUGDPOAJSN-UHFFFAOYSA-N	402.501	3.963	10	20	HHCD	
CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1ccccc1O	812043580	WXNDYSKWLQLBII-UHFFFAOYSA-N	418.501	3.598	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cc(Cl)c(F)cc2O)C(C)C)cc1	816504777	BJRAZGORJOKKEY-KRWDZBQOSA-N	424.900	3.793	10	20	HHCD	
Cc1nccnc1CCNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	818543391	AVWXNCXFTFMRFX-UHFFFAOYSA-N	413.319	3.928	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCCCC2)nc1	915697198	WXTPTNPCRGQPQX-UHFFFAOYSA-N	409.534	3.572	10	20	HHCD	
CC(C)(C)OC(=O)N(CCCNC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1	916587656	SVJHSLCVNJMJMU-UHFFFAOYSA-N	416.566	3.876	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	917167007	NKWSITXXQFGYLJ-HUUCEWRRSA-N	406.885	3.788	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)n1-c1nccs1	919969224	QSVMPNCLHPHYON-UHFFFAOYSA-N	424.570	3.689	10	20	HHCD	
C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@H](c2ccccc2)O1	920867527	VZDIYCYZJYCLSG-DNVFCKCGSA-N	409.530	3.756	10	20	HHCD	
CC(C)n1ncc2c1[C@H](NC(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CCC2	1320267150	GQCLQOAZBFXRMU-DYESRHJHSA-N	411.550	3.738	10	20	HHCD	
Cc1nocc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1842494530	AJGWALAAQFWIAH-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	2700489	CLHFOCNNCZBREZ-MLPAPPSSSA-N	424.843	3.794	10	20	HHCD	
COc1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(OC)c1	48745167	BTDOUWHENOTJFM-UHFFFAOYSA-N	410.436	3.849	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c(C)n1-c1ccccn1	106072887	QPWBUKKJKFBYEP-UHFFFAOYSA-N	404.514	3.598	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1F	116548122	GVGAGVSOBWQDJF-NRFANRHFSA-N	423.454	3.963	10	20	HHCD	
COc1ccc(/C=C\C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1OC	206133903	YRRTVUBMCYLVGX-JXLATXOZSA-N	424.541	3.991	10	20	HHCD	
COc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	303227016	WOSGUKRGALNKAK-FQEVSTJZSA-N	413.493	3.718	10	20	HHCD	
COc1cccc2c1OCC[C@@H]2NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	726273712	INWSPTHPDYXDGS-HKUYNNGSSA-N	412.486	3.615	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)cc1	726627796	REYNPHHBOUJIHE-ZROIWOOFSA-N	406.435	3.793	10	20	HHCD	
Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1	727358740	GOYBLHIIKMDAHD-UHFFFAOYSA-N	404.923	3.760	10	20	HHCD	
O=S(=O)(c1ccc(CN(Cc2ccco2)Cc2ccccc2O)o1)N1CCCC1	731844615	TYQSSKIDDHUFSN-UHFFFAOYSA-N	416.499	3.565	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)cc1	732115364	XVLHFBPJERQLOF-FQEVSTJZSA-N	423.557	3.799	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1F	732881581	HLMFDHHMOPBLQK-UHFFFAOYSA-N	421.538	3.927	10	20	HHCD	
CCc1nc(C(=O)NCCCSc2nccs2)nn1-c1ccccc1Cl	733884087	MSKHFFWDGRYZCH-UHFFFAOYSA-N	407.952	3.852	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1	734644463	AZHLGASRFXTHRI-UHFFFAOYSA-N	408.424	3.675	10	20	HHCD	
O=C(CCSc1ccccc1F)NCc1ccc(N2CCC(CO)CC2)cc1	734863372	SNJVMSMDAKDVDI-UHFFFAOYSA-N	402.535	3.833	10	20	HHCD	
O=C(CCSCc1nc(O)c2ccccc2n1)NCc1ccc(N2CCCC2)cc1	739694809	RIZSGWWEFQCQGI-UHFFFAOYSA-N	422.554	3.875	10	20	HHCD	
Cc1cccc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	742749382	GKAGYOIWQYWXEI-NRFANRHFSA-N	411.546	3.986	10	20	HHCD	
O=C(CCOc1cccc(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805001	DNTUVKAERRKRAX-MRXNPFEDSA-N	408.420	3.981	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1	743045973	IPPDXZOBDAINEU-UHFFFAOYSA-N	407.542	3.964	10	20	HHCD	
Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	743242324	QSXCNBWODLPWMR-KRWDZBQOSA-N	424.501	3.671	10	20	HHCD	
CN(C)[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1c(F)cccc1F	745826515	VNUASYMSCAPFGN-IBGZPJMESA-N	403.473	3.651	10	20	HHCD	
CC[C@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc(N4CCCC4)cc3)ccc2NC1=O	745929096	BBFWVYDIAPJCKO-HRAATJIYSA-N	422.529	3.957	10	20	HHCD	
CCOC[C@@H]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1	747930958	UUXROAIFYFATJG-VQCBNXJZSA-N	424.613	3.615	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c2C)c1	749399769	LUJOWRBAEGHQMC-UHFFFAOYSA-N	417.435	3.977	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccccc1Cc1ccccc1	749730383	NZBZPXLENPNDHT-UHFFFAOYSA-N	411.552	3.971	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1cccnc1Cl	751930209	BJXGVCSHFCIYQZ-LLVKDONJSA-N	416.890	3.549	10	20	HHCD	
CNC(=O)CCCN(C)[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	753205241	UWWYTEKKZLKQHU-INIZCTEOSA-N	421.488	3.725	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(Br)c3)CC2)cc1F	753742665	VYTDZEXPCHYQQP-UHFFFAOYSA-N	423.282	3.568	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(I)c1O	755186737	AJKOVQIDXOOJHB-UHFFFAOYSA-N	424.282	3.725	10	20	HHCD	
COc1ccc(CN(C)C(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1F	756327935	WWMIYWUBQDAUND-UHFFFAOYSA-N	412.461	3.794	10	20	HHCD	
CC(C)Oc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccn1	759717924	IVKMUIPIAJGYOZ-UHFFFAOYSA-N	423.435	3.654	10	20	HHCD	
C[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cc2c(cc1O)CCCC2	763561103	CNJAVNLEWNVMOP-INIZCTEOSA-N	400.544	3.662	10	20	HHCD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	765976719	SRLUQYYWCBCJJE-AEFFLSMTSA-N	418.335	3.501	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(CN3CCOCC3)n2)c1C	767888638	LNTBQZAPLAAWTI-UHFFFAOYSA-N	404.514	3.882	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	769001292	MWMMNSLTQDPGQL-UHFFFAOYSA-N	418.423	3.982	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1C(C)(C)C	771064869	LGOLFQVGIXECDD-KRWDZBQOSA-N	404.942	3.700	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(C4(C)CCCCCC4)n3)CC2)cc1	771068587	RSUBFPLXSUMUGF-UHFFFAOYSA-N	412.534	3.581	10	20	HHCD	
O=C(Nc1ccc(N2CCOCC2)cn1)N(Cc1ccccc1O)C1CCCCC1	772437738	POJGJZJCDSWOSH-UHFFFAOYSA-N	410.518	3.991	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1	772936196	BMKXRHXGQCZFHJ-UHFFFAOYSA-N	420.435	3.688	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(I)c(O)c1)c1ccc(N(C)C)cc1	775412579	ZHZVWTXXJOQVKA-LLVKDONJSA-N	410.255	3.554	10	20	HHCD	
Cc1cccc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1O	775655505	ZMHPDLPWMOFSKX-OAHLLOKOSA-N	404.308	3.709	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H](F)Cc1ccccc1	777947125	MLGUXCUAHKUIML-LJQANCHMSA-N	410.411	3.739	10	20	HHCD	
Cc1nc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(-c2ccccc2)s1	778856143	VRKTZXLCCAYIKP-UHFFFAOYSA-N	423.538	4.000	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)cc(Br)c3)c2)CC1	781045997	VPABMZMMCFGRRM-UHFFFAOYSA-N	420.282	3.509	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc(OC)c1C(C)C	781136143	GPAPYHCPZDCBNG-UHFFFAOYSA-N	416.493	3.733	10	20	HHCD	
CC(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1F	782087268	HNDPVOQBTBSZHF-KRWDZBQOSA-N	414.886	3.683	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(OCC(=O)N(C)C)c1	782721814	PODLIVGBEQIHME-UHFFFAOYSA-N	412.534	3.662	10	20	HHCD	
Cn1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(-c2ccccc2)n1	782751234	SQZPUZXUSDUHRZ-NRFANRHFSA-N	420.513	3.684	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O	785920237	AWRGPNZKCBWADL-OAQYLSRUSA-N	400.567	3.608	10	20	HHCD	
COC[C@@H](Cc1ccccc1)N(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	788766784	UPPNLQGYHWZJQN-JOCHJYFZSA-N	411.546	3.563	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1	789838719	HIZVEBUAZMJYSS-ZDUSSCGKSA-N	400.866	3.749	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1CC(F)(F)F	793499613	GXEKUFHGLBAVON-UHFFFAOYSA-N	409.452	3.776	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCCC(=O)c3cccc(OC)c3)CC2)cc1	794241337	DURVKWXITYHXRJ-UHFFFAOYSA-N	410.514	3.796	10	20	HHCD	
COc1ccc(CNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(O)c1	794382524	CDPSTRINUXAQGZ-QRWLVFNGSA-N	414.502	3.919	10	20	HHCD	
CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ccc(N3CCCCC3)cc2)s1	796530557	VNXTWMYSTPXVGQ-HZPDHXFCSA-N	401.580	3.844	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCn4ccnc4C3)cc2Cl)C1	799976936	XZISZGHPCUHDCV-NVXWUHKLSA-N	401.942	3.587	10	20	HHCD	
Cc1cc(C(=O)OC[C@@H]2CCN(C(=O)c3ccccc3)C2)c(C)n1-c1ccccn1	801223922	YZEMCGYRTQEUSW-LJQANCHMSA-N	403.482	3.808	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1	807097546	YWRUCBUOSFWIBI-IAGOWNOFSA-N	415.965	3.981	10	20	HHCD	
Cc1cccc([C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C(C)(C)C)c1	807289477	WCIBQBZGNJKQRC-JOCHJYFZSA-N	405.542	3.891	10	20	HHCD	
COCCOCc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1F	807839099	WTKIZPKKVSELBN-UHFFFAOYSA-N	402.249	3.931	10	20	HHCD	
COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1Cl	808098960	ZMPWQHXFCJYVLL-UHFFFAOYSA-N	406.287	3.833	10	20	HHCD	
Cc1cc(Br)c(O)c(CNc2cccc(-n3cnc(N(C)C)n3)c2)c1	810156855	WYOBNSYWCDYPIZ-UHFFFAOYSA-N	402.296	3.722	10	20	HHCD	
Cn1cc(/C=C/C(=O)N2C[C@@H]3CCCCN3c3cc(Br)c(F)cc32)cn1	813302800	MDCUQYRPVCPRPR-GJBLVYBDSA-N	419.298	3.741	10	20	HHCD	
Cc1c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nnn1Cc1ccncc1	820465009	ADZOJMMDNNZUSV-UHFFFAOYSA-N	404.449	3.829	10	20	HHCD	
CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2ccc(N(C)C)cc2)CC1	915315012	CQBFOGRWZQGKJI-UHFFFAOYSA-N	415.969	3.870	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(N2CCCCC2=O)c1	915347401	PJPWEZSZROHRKS-UHFFFAOYSA-N	422.529	3.704	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(N2CCCCCC2)nc1	917386785	YGQACCPJUPBAQX-UHFFFAOYSA-N	410.587	3.945	10	20	HHCD	
CCCN(Cc1ccc(C)cc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	918118447	SHYZZKPQBYXCBW-JOCHJYFZSA-N	422.573	3.819	10	20	HHCD	
Cc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	918123313	TWVDZOFUILNGJF-NZQKXSOJSA-N	420.557	3.743	10	20	HHCD	
CN1CCN(c2ccc(CNC3(c4ccc(F)cc4)CCOCC3)cc2F)CC1	1320936479	CBIZADZXRILXFL-UHFFFAOYSA-N	401.501	3.512	10	20	HHCD	
CC(=O)N1CCC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1	10619224	ZBVIUMNLBIUMNS-SFHVURJKSA-N	414.477	3.526	10	20	HHCD	
CCN(CC)CCN(CC(C)C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	110422537	JYKDTUPRVBWCLQ-UHFFFAOYSA-N	404.599	3.673	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)n(C)c2ccccc12	469904495	FCQPABJZUWGRER-UHFFFAOYSA-N	419.485	3.786	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCC[C@H](C(=O)NC(C)C)C3)ccc21	522500486	MVEXWEFBPCSUGP-ICSRJNTNSA-N	413.562	3.718	10	20	HHCD	
CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C	557935312	NYNJQUOGIJMQNT-QGZVFWFLSA-N	421.541	3.905	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2cccc(Cl)c2F)cc1	727359097	LODYFXZXWFGPFS-UHFFFAOYSA-N	408.886	3.591	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](c1ccccc1)c1nccs1	729055955	BJPLWBABQRQHAF-NRFANRHFSA-N	422.554	3.911	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CSc2ccc3c(c2)OCCO3)cc1F	731346156	BPRMKZXQGBETNW-UHFFFAOYSA-N	404.507	3.852	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)nn2)n1	737398098	MCIJLGXINJFQQF-IRXDYDNUSA-N	410.497	3.644	10	20	HHCD	
CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)ccc1F	740801294	VFSNKKYXAGDPGV-UHFFFAOYSA-N	419.522	3.709	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(-c4cnn(C)c4)c3)cc2F)C[C@@H](C)O1	741541374	MUBIDDKEDWTYJH-CALCHBBNSA-N	422.504	3.770	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cc(C3CC3)on2)NC(=O)OC(C)(C)C)cc1	742754568	QMTBBZFVFMEWBQ-SFHVURJKSA-N	414.506	3.614	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799538	LECLIOOPWDMGQM-GOEBONIOSA-N	408.420	3.980	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)cc2F)C[C@@H](C)O1	743555226	SQPPATIQMHYZHA-IZDLNVGJSA-N	411.521	3.870	10	20	HHCD	
CCc1nc(COc2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cc2)no1	743715976	GGKXHYREQZMZRU-UHFFFAOYSA-N	407.470	3.725	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccnc(N3CCOCC3)c2)c1	745427855	NCVRIRHAGHASPC-UHFFFAOYSA-N	404.514	3.564	10	20	HHCD	
Cc1cc(CCNC(=O)c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1	746517446	OYIGRODEEQDDDD-UHFFFAOYSA-N	403.526	3.903	10	20	HHCD	
CCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1	747456327	CSIYDUBRUFXTTN-UHFFFAOYSA-N	403.548	3.702	10	20	HHCD	
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1	747977599	JHCGDUBIKSAHFV-UHFFFAOYSA-N	424.545	3.539	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1OC(F)F	748697624	CEENPMRVULKMER-UHFFFAOYSA-N	414.811	3.847	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(-n3cnnc3)cc2)c(C)n1-c1cccc(F)c1	750619323	JQDHYJUKOLDECM-UHFFFAOYSA-N	418.428	3.854	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3ccc(Br)c(F)c3)CC2)cc1	751661740	HBXMUWCKPHTLHE-UHFFFAOYSA-N	421.310	3.878	10	20	HHCD	
CCOc1ccccc1OCCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	752807599	YTAKBRMCKAGVDL-UHFFFAOYSA-N	412.530	3.740	10	20	HHCD	
COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754549270	WQBNUZBXASPBOB-UHFFFAOYSA-N	423.428	3.909	10	20	HHCD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	754550891	GXRUSGGZCKHMQF-JKSUJKDBSA-N	418.493	3.685	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cc(OC)ccc2O)cc1	756361163	GFMQCXQGLITYGY-HZPDHXFCSA-N	406.548	3.843	10	20	HHCD	
C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(Br)cc1O	756592073	ILZZHYNAJKBXQV-RIFZZMRRSA-N	419.363	3.688	10	20	HHCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	758562296	QGOORNWEMWBSFJ-QMMMGPOBSA-N	403.740	3.954	10	20	HHCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N(c1nccs1)C1CCCCC1	759598661	XCWJJGAAPBKAQB-PLWJUESGSA-N	416.499	3.865	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCOCC2(CCC2)C1	761226477	QOMCCCMZGDXGJZ-UHFFFAOYSA-N	405.130	3.920	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3noc(-c4ccccc4)n3)CC2)cc1	761794638	AXXDVYUUUDUZHG-KRWDZBQOSA-N	421.501	3.728	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccnn2C)c(C)n1-c1ccc(Br)cc1	762710340	TXIDBGZVSPVWGT-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
COc1cc2c(cc1NCC(=O)N[C@@H](C)C(=O)N1CCCCC1)oc1ccccc12	762782283	NTEHICKAPYUQRF-HNNXBMFYSA-N	409.486	3.524	10	20	HHCD	
Cc1nc(C)n(-c2ccccc2NC(=O)NCc2cccc(Br)c2O)n1	765316284	VUIOSFMMRGTQJO-UHFFFAOYSA-N	416.279	3.674	10	20	HHCD	
C[C@H](NCC1(CN2CCOCC2)CCCCC1)c1ccc(N2CCOCC2)c(F)c1	766523840	CSZAPTKQBQTXFH-FQEVSTJZSA-N	419.585	3.596	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@H]3C[C@H](O)c3cnn(C)c3)c2C)c1	766953782	GQIJMOWTIBYHIQ-URXFXBBRSA-N	420.557	3.907	10	20	HHCD	
COC[C@H]1CCCCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	767948435	NGTWAJQWBABUEW-SJORKVTESA-N	420.509	3.538	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc(-c2cccnc2)nc1O	769292784	RFGJZQWJDMWPSO-UHFFFAOYSA-N	406.486	3.630	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)COC(=O)/C=C\c3ccc(O)c(O)c3)c2)cs1	772770838	UZZPSCJZOZPFRD-VURMDHGXSA-N	410.451	3.725	10	20	HHCD	
C[C@@H](NC(=O)c1cc(F)ccc1I)c1ccc(N(C)C)cc1	773012279	GTDWYMFWYPPVND-LLVKDONJSA-N	412.246	3.987	10	20	HHCD	
COc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(OC)c1OC	773017426	GMQXQCUCGCHACY-OAHLLOKOSA-N	414.502	3.619	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(N(C)C)cc1	773623560	KUZTXGCSKRDQIK-SFHVURJKSA-N	410.562	3.522	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1OCC(F)F	774127105	SAYZVUIPLOPCJV-UHFFFAOYSA-N	423.435	3.523	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1O	775061076	QJYWTNPXMKYLAX-HSALFYBXSA-N	411.502	3.699	10	20	HHCD	
O=C(N[C@@H]1CCc2ccccc2C1)C(=O)N(Cc1ccccc1O)C1CCCCC1	775124339	XQPORMAREWBAOD-OAQYLSRUSA-N	406.526	3.727	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(N(C)C)cc1	775830227	FNBARPSMBREHFU-QGZVFWFLSA-N	420.513	3.565	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)CC1	776862539	WJAIGNZAWRKMKA-MNOVXSKESA-N	403.292	3.811	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(F)cc1	777821982	AEZCVQVUDGGVGZ-KRWDZBQOSA-N	406.457	3.938	10	20	HHCD	
CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	778623564	CXJUCMJSCPJVLW-IERDGZPVSA-N	417.937	3.752	10	20	HHCD	
COc1cc(Br)c(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1O	778995170	RKMUFXMXIWZRRH-UHFFFAOYSA-N	421.335	3.632	10	20	HHCD	
COc1cc(CN[C@@H](C)c2cc(Br)cc(C)c2O)ccc1OCCO	779010667	FTZJSONJPROGIG-ZDUSSCGKSA-N	410.308	3.694	10	20	HHCD	
CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1	781609797	VZZXPRMQCGLJQG-OZQHCQBDSA-N	406.542	3.897	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	782520899	WTKYQYZOYBKRCM-SFHVURJKSA-N	419.451	3.825	10	20	HHCD	
CO[C@H]1Cc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc2C1	782895429	BIVVBOWXTZCWSM-QFIPXVFZSA-N	422.525	3.806	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-c2cnco2)c1	783315383	BAJZZQJWBSHVKW-UHFFFAOYSA-N	406.486	3.783	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1	784027841	NTBCTCVJFKQBCR-QGZVFWFLSA-N	406.486	3.575	10	20	HHCD	
Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	784622903	UTLUOROKYUYQTG-UHFFFAOYSA-N	424.467	3.732	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3SC(C)C)cc2)CC1	786659504	LWKVCBOVQVPTCB-UHFFFAOYSA-N	411.571	3.786	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnc(O)c3ccccc23)cc1	786849707	IUWRTDZQNYBXPV-IBGZPJMESA-N	405.498	3.828	10	20	HHCD	
CC(=O)CC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	788498775	NJYCCFBFQNUNBB-UHFFFAOYSA-N	400.441	3.554	10	20	HHCD	
O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1cccc(O)c1O	790894179	BOPLVXXDWQACTN-UHFFFAOYSA-N	402.204	3.695	10	20	HHCD	
COc1ccc(CCCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	793762547	RAFVBIATINYGPZ-UHFFFAOYSA-N	424.541	3.811	10	20	HHCD	
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	797624817	ZGXUBDYTXZWUNJ-ZDUSSCGKSA-N	419.909	3.984	10	20	HHCD	
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	807190973	CMWSQODKUYHPPN-MWTRTKDXSA-N	423.532	3.823	10	20	HHCD	
Cc1cc(CCNC(=O)N2CC[C@](CO)(c3ccccc3)C2)c(C)n1-c1ccccc1	813031417	BXCZGSBBBNMDAY-SANMLTNESA-N	417.553	3.982	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)cc1	813789339	PWWIWBVXTGRMTK-SKPFHBQLSA-N	411.546	3.999	10	20	HHCD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2C[C@H]1C	831804263	CVKSNQFDCPOKGZ-CYBMUJFWSA-N	413.524	3.908	10	20	HHCD	
Cc1cc2c(cc1C)[C@@H](C(=O)N[C@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CO2	857472887	PFUGHFJUCOQPND-ICSRJNTNSA-N	414.933	3.919	10	20	HHCD	
CCN(C(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C)[C@H]1CCS(=O)(=O)C1	903565677	BHSWPVHDZGOETL-FQEVSTJZSA-N	402.560	3.867	10	20	HHCD	
Cc1noc(C)c1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1	914793320	HRPULSSERXIAEY-UHFFFAOYSA-N	401.416	3.817	10	20	HHCD	
Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccccn1	914849688	QGTWYCBYAZUWJG-SFHVURJKSA-N	418.497	3.650	10	20	HHCD	
CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)S(=O)(=O)c1cccnc1	915128615	PPZQBLNKHIQFHY-UHFFFAOYSA-N	409.471	3.756	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1	915831523	JBDBUZJCXPKBTH-UHFFFAOYSA-N	402.560	3.987	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCc2ccccc2C1	916604569	IHUGIIYJAHMZJY-XXBNENTESA-N	423.557	3.530	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	917712482	PBVWIDHNNMPNFN-GJZGRUSLSA-N	401.438	3.586	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1	918710301	XCJUQVXFVUAOAN-FQEVSTJZSA-N	409.530	3.523	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(CCc3cccs3)CC2)cc1	919911148	SSJHFJSJUMXUET-UHFFFAOYSA-N	400.592	3.664	10	20	HHCD	
CCCN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1nc(O)c2sccc2n1	1116439776	SJBAMUIUSKJGFK-UHFFFAOYSA-N	416.522	3.785	10	20	HHCD	
Cc1cccc2c(=O)nc(/C(Cl)=C/c3ccc(N4CCN(C)CC4)c(F)c3)[nH]c12	1317893498	JZZSQSKRELDVMA-ATVHPVEESA-N	412.896	3.859	10	20	HHCD	
CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1ccc(N2CCCC2)cc1	1318339825	XMEPPSVTYOLBPL-UHFFFAOYSA-N	401.576	3.653	10	20	HHCD	
O=C1N[C@@H](Cc2ccccc2Cl)C(=O)N1Cc1ccc(N2CCSCC2)cc1	1333568981	UIENJXCBGIULFX-IBGZPJMESA-N	415.946	3.556	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c1	1339983275	OSARIGNRJVYMHI-LJQANCHMSA-N	415.965	3.932	10	20	HHCD	
O=C(OCc1nc(-c2ccccc2)no1)c1cccc2c1C(=O)c1ccccc1C2=O	6428466	OURXZYVZNRXZQD-UHFFFAOYSA-N	410.385	3.869	10	20	HHCD	
COc1cc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OCC(=O)O	16915431	NLMXDTRNSKYYRA-VCHYOVAHSA-N	412.467	3.858	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(c4cccc(O)c4)CC3)c2C)cc1	217032979	BQWMDNJPBFVZOD-UHFFFAOYSA-N	405.498	3.771	10	20	HHCD	
CN(Cc1ccccc1O)C[C@@H](O)COc1ccc(Cl)cc1Br	303402217	RWBPNWQOOOBAAM-CQSZACIVSA-N	400.700	3.680	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	303591936	OYDRFFSBZJLHFV-HNNXBMFYSA-N	406.885	3.742	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)CC2)cc1	303821090	DXHFHYMGAYTYJE-UHFFFAOYSA-N	423.557	3.824	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(CNC(=O)C2CCCC2)cc1	437007187	JBGOBBRDBLNTPO-UHFFFAOYSA-N	407.514	3.598	10	20	HHCD	
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCOc2cc(N(C)C)ccc21	443999537	CYGOBBAVAFNDHA-FQEVSTJZSA-N	415.921	3.586	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cc4c(cc3OC)C[C@@H](C)O4)SC2=S)cn1	726196940	HIHXRHAWSGRZET-XZDJTBRNSA-N	401.513	3.641	10	20	HHCD	
C[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCc2ccccc21	726565850	LULHOMOVCVDTNB-MRXNPFEDSA-N	415.484	3.824	10	20	HHCD	
Cn1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c(-c2ccncc2)n1	726608334	YEOBDWZMJPYFRY-UHFFFAOYSA-N	413.472	3.842	10	20	HHCD	
CCOc1ccc(OCC)c(NC(=S)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	726893626	JWQXCQYCAGIIEO-UHFFFAOYSA-N	421.435	3.614	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CNc3cc(Cl)ccc3OC)CC2)cc1	727104450	MKBBNYGCHAWEFB-UHFFFAOYSA-N	403.910	3.508	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCCOc2ccc3ccccc3c2)c1	727872052	ANUQAPUNBJBUPS-UHFFFAOYSA-N	415.467	3.543	10	20	HHCD	
CCOC(=O)N1CCC(OC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1	728463771	IJVNISDGBRAJAP-UHFFFAOYSA-N	402.491	3.682	10	20	HHCD	
COc1cccc(CN(C(=O)NCc2ccc(N(C)C)cc2)C2CCC(O)CC2)c1	728941666	HJLUNXLDINLNFL-UHFFFAOYSA-N	411.546	3.777	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn(C)nc1-c1ccccc1Cl	731183883	WRRWHJDWONCSKA-UHFFFAOYSA-N	424.932	3.849	10	20	HHCD	
Cc1noc(C)c1[C@H](C)N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	733797678	BPFURWRRSNBAAM-JSGCOSHPSA-N	417.465	3.745	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)CC2)cc1	734667320	XYHDQLPICRKDPK-HXUWFJFHSA-N	408.546	3.632	10	20	HHCD	
CCOCCCN1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@@H](C)C1	734682927	DXDFRPFAIUZKKE-WMZHIEFXSA-N	416.610	3.564	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C	734689647	NFWIBYDTUWQUKV-LJQANCHMSA-N	406.571	3.833	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N(C)C)c(Cl)c1	738935395	GPRLLKFZWLASLW-UHFFFAOYSA-N	402.926	3.907	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(OC(F)F)cc1	743472909	SBFYPKFHOWEEIL-QAPCUYQASA-N	403.473	3.841	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC1CCN(Cc2ccc(F)cc2)CC1	743541449	QFBZXBMDALOJFT-UHFFFAOYSA-N	411.521	3.874	10	20	HHCD	
Cc1nc(-c2cccc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c2)cs1	745673719	GOIZOOMWRGCGEF-UHFFFAOYSA-N	423.538	4.000	10	20	HHCD	
CSc1ccc(F)cc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	745779257	OCBYSLOJWUDRKC-HNNXBMFYSA-N	403.523	3.945	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)s1	747856727	YESFIRLEKKZZJF-UHFFFAOYSA-N	408.589	3.703	10	20	HHCD	
Cc1sc2nc(CS[C@@H](C)C(=O)NCc3ccccc3O)nc(O)c2c1C	748355195	VINPMEKQXAOPQF-LBPRGKRZSA-N	403.529	3.657	10	20	HHCD	
C[C@@H](Cc1ccncc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	749566685	SSAIQJRIUVNQCT-HNNXBMFYSA-N	404.461	3.582	10	20	HHCD	
COc1ccc(O)c(CNS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)c1	751417958	LCSZFZYCHDQXPI-UHFFFAOYSA-N	423.437	3.676	10	20	HHCD	
Cc1nn(C(C)(C)C)cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	752596426	MWCCRVWLUXBASE-KRWDZBQOSA-N	404.942	3.700	10	20	HHCD	
CC[C@@H](C)NC(=O)CCN[C@@H](C)c1cc(Br)cc(Br)c1O	756458645	XUFTVDHZAXURTP-ZJUUUORDSA-N	422.161	3.873	10	20	HHCD	
C[C@H]1C[C@@H](NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(O)ccc(F)c21	756474449	AVGSUADLLRVSHY-HNAYVOBHSA-N	415.484	3.547	10	20	HHCD	
C[C@H]1C[C@H](NCCCC(=O)N2CCN(c3ccccc3)CC2)c2c(O)ccc(F)c21	756730094	LGPHWPDUCKHOCT-PXNSSMCTSA-N	411.521	3.798	10	20	HHCD	
C[C@@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1O	756784303	MALIHBWLKVTJDV-ZBFHGGJFSA-N	403.320	3.854	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CC[C@H](O)C1)c1ccc(Br)cc1O	757636231	DPFKMJPPUXQURF-KSSFIOAISA-N	405.336	3.572	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)ccc1[N+](=O)[O-]	759162931	ZXVVFRQIAQTZST-UHFFFAOYSA-N	409.445	3.738	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)cc1	765638445	MOPRUJVQMCMUPZ-GOSISDBHSA-N	413.537	3.991	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1	765745152	YRCLBDRHPBSQKO-MRXNPFEDSA-N	407.530	3.712	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1	767796328	SMCUZYVUWQEUBS-JXFKEZNVSA-N	414.502	3.919	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)c1	768911057	NXJVRFGWUVSRFV-JTQLQIEISA-N	424.354	3.630	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1	769705639	KWCGTDXACOENHQ-LBPRGKRZSA-N	408.907	3.783	10	20	HHCD	
C[C@H]1CN(c2ccnc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2)C[C@H](C)O1	772151185	HTLJXGCGWAWHAZ-OALUTQOASA-N	408.546	3.616	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCS(=O)(=O)c4ccccc4C3)c2C)cc1	773423033	JWELRLFWYWWSCI-UHFFFAOYSA-N	424.522	3.532	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	773741162	SQGRREBKYGFYGU-VFNWGFHPSA-N	422.447	3.600	10	20	HHCD	
CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774483843	MCVUAAGPKQMYHJ-CABCVRRESA-N	403.548	3.977	10	20	HHCD	
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1	775190321	RVNRQDMLFNIXHV-LLVKDONJSA-N	411.285	3.993	10	20	HHCD	
CC[C@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccc(OC)cc1	775726260	RXNFQNLXYMZUSA-NRFANRHFSA-N	413.537	3.786	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776245000	HBCRMIQSVBGHQW-DLBZAZTESA-N	404.555	3.760	10	20	HHCD	
COC(=O)C[C@](C)(NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccccn1	777348470	STMGZMCXRDHXOO-DEOSSOPVSA-N	421.497	3.706	10	20	HHCD	
O=C(NC[C@@H]1COC2(CCCCCC2)O1)N(Cc1ccccc1O)C[C@H]1CCCO1	777764698	SNXLSBGKSVZVSJ-WOJBJXKFSA-N	418.534	3.549	10	20	HHCD	
COc1cc(OC)c(NCc2ccc(N3CCN(C)CC3)cc2)cc1Br	778190466	OLDXCATXAJLAQB-UHFFFAOYSA-N	420.351	3.830	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cc3ccccc3o2)cs1)c1cn2c(n1)CCCC2	779793220	XXKVDUIBMUDCMW-UHFFFAOYSA-N	400.485	3.890	10	20	HHCD	
COCCn1cc2c(n1)[C@@H](NC(=O)c1cc(C)n(-c3ccc(OC)cc3)c1C)CCC2	780436171	JKHOPQOZGJFMLO-QFIPXVFZSA-N	422.529	3.753	10	20	HHCD	
Fc1cc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)ccc1N1CCOCC1	780780212	LCRRPLVTDIQYFN-UHFFFAOYSA-N	410.489	3.723	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1O	780936648	ROFJEFNZCGOEKC-UHFFFAOYSA-N	410.376	3.604	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc4cc[nH]c34)cc2F)C[C@H](C)O1	786110544	ANADDDVXJZFLMR-HOTGVXAUSA-N	410.493	3.920	10	20	HHCD	
O=C(NCCc1ccccc1OC(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1	788319807	NLGDMBUCDZLHNP-GOSISDBHSA-N	420.456	3.927	10	20	HHCD	
CC(C)Oc1ncccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	790462482	YVOLNQVLIOMFEE-UHFFFAOYSA-N	405.445	3.869	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1	790672827	MNGBKXFMPJRQDC-QGZVFWFLSA-N	415.559	3.641	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2nccnc2cc1F	791610999	HTGAULXGRLOBMH-ZDUSSCGKSA-N	416.403	3.769	10	20	HHCD	
CC[C@@H](NCCCNS(=O)(=O)c1ccccc1Cl)c1ccc(F)cc1O	796977326	HDWKPMJLAUKASX-MRXNPFEDSA-N	400.903	3.594	10	20	HHCD	
C[C@H](NC(=O)N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N(C)C)cc1	799975216	KTQOLJRBMSGGES-PGRDOPGGSA-N	404.514	3.716	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(CCCc2cccs2)n1C	800729598	CYXAIABEKOCVBB-UHFFFAOYSA-N	411.575	3.525	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	801595688	IHNLZAKDVULFBH-IBGZPJMESA-N	411.546	3.858	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)cc1F	802134297	KVDGWWAQIIVGLD-RTBURBONSA-N	411.525	3.935	10	20	HHCD	
Cc1cc(C(=O)OCc2ccc[n+]([O-])c2)c(C)n1-c1cccc(Br)c1	802182770	OHNOPQKPOLYCCQ-UHFFFAOYSA-N	401.260	3.847	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CN3C(=O)N[C@@H](CC(F)(F)F)C3=O)cc2Cl)C1	804188078	JMDFXORNCZEMTD-FZMZJTMJSA-N	403.832	3.949	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC[C@H]1c1cc[nH]n1	806877708	DRJCKLVDUCIQBF-KXBFYZLASA-N	419.476	3.917	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCCc1ccc(-c2ccccc2)cc1)c1ccc(N(C)C)cc1	807674062	FONOHSXGZSSKCT-IBGZPJMESA-N	415.537	3.956	10	20	HHCD	
COCCOCc1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cc1	809145168	NOZSSCNTXPZAMT-CPNJWEJPSA-N	414.552	3.689	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1	809195725	LJJOQOHLDSGQGS-CTNGQTDRSA-N	411.521	3.693	10	20	HHCD	
CCCOc1ccc(CNC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)c(C)c1	809454901	IXTPXIZQKQQUPV-UHFFFAOYSA-N	411.546	3.515	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNC[C@H](O)Cc1ccccc1	809723229	SJAPGDCRNDYBPG-CQSZACIVSA-N	415.125	3.610	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c[nH]nc1-c1ccccn1	810456752	VZMRWEQJKFZUBU-UHFFFAOYSA-N	401.264	3.602	10	20	HHCD	
CCC[C@@H](C)C(=O)NCCNCc1cc(Br)cc(Br)c1O	816625398	CMDNSCJWPVHYHO-SNVBAGLBSA-N	422.161	3.559	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(-n4nc(C)cc4C)c(F)c3)CC2)cc1	916696139	AEBDHCWSRNAVHS-UHFFFAOYSA-N	423.492	3.991	10	20	HHCD	
CCNC(=O)COc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	916842298	ZOXCETYDLDPYJD-UHFFFAOYSA-N	412.490	3.712	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1	917512861	SFBROUOKJZBOKA-UHFFFAOYSA-N	411.502	3.893	10	20	HHCD	
Fc1cc(CNC(=S)Nc2cccc(Br)c2)ccc1N1CCOCC1	917580290	DNXPTDLBVOOCFA-UHFFFAOYSA-N	424.339	3.911	10	20	HHCD	
CCc1ccccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	917711385	GDVRBBOQVXWFJB-IRXDYDNUSA-N	400.494	3.697	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccccc4)c3)cc2F)C[C@@H](C)O1	917712669	QDTQRNBOGWREEE-IAGOWNOFSA-N	408.477	3.555	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)sc2C)cc1	917845912	HSLMEHQMXHYCOK-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
CC1CCN(c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)CC1	918305965	PZTURKLXQQIYFS-UHFFFAOYSA-N	408.546	3.586	10	20	HHCD	
Cn1ncc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cnc21	1116662640	DADXFQPKYFWKMH-UHFFFAOYSA-N	405.892	3.546	10	20	HHCD	
COc1ccc(OC)c(NC(=S)NCc2cccc(OCC(F)(F)F)n2)c1	1256048491	NLAGCIXHNIXPIS-UHFFFAOYSA-N	401.410	3.527	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3coc(-c4ccccc4)n3)CC2)cc1	1318197587	QTDGPBDOGZCZSH-UHFFFAOYSA-N	420.513	3.815	10	20	HHCD	
COc1cccc(-c2nc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)cs2)c1	13362950	JOGWKTSZXSETEP-ZROIWOOFSA-N	420.537	3.885	10	20	HHCD	
Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1	60860435	AHIVJLSZDIVRBB-UHFFFAOYSA-N	423.448	3.948	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)c2C)c1	72009841	IHBAPEPPPJSXNH-XMMPIXPASA-N	416.481	3.709	10	20	HHCD	
CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2O)[C@@H]1c1ccccc1OC	109678743	ITUJNOOFNCPDQN-XXBNENTESA-N	410.514	3.797	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1ccc(I)c(Cl)c1	226841811	JVBJGJORDBGGQV-UHFFFAOYSA-N	401.631	3.922	10	20	HHCD	
C[C@H](NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1Cl	302833737	QCWJIQUAZFVMMM-WMZOPIPTSA-N	402.922	3.904	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)ccc21	303424579	ZIAUBGUSZMEDTM-HSZRJFAPSA-N	411.521	3.863	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	608259106	KIWPQXZWFGYLKL-UHFFFAOYSA-N	406.507	3.912	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CNC(=O)N(Cc1ccco1)Cc1ccccc1O	726239939	ANUFKCSAVCTFRC-UHFFFAOYSA-N	421.497	3.746	10	20	HHCD	
Cc1cc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)c(C)n1-c1ccc(C(C)C)cc1	729974406	GJIAVLQRVVEKNP-UHFFFAOYSA-N	419.573	3.909	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)CC2)cc1	731225763	OXJCHHKPZDUVTA-XMMPIXPASA-N	421.541	3.534	10	20	HHCD	
CSC[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	731393448	ZMMOOLQDBLJVDY-CYBMUJFWSA-N	403.500	3.590	10	20	HHCD	
CC(C)C[C@H]1COCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	733848500	XXNOXNIBTQGYHB-SFHVURJKSA-N	411.493	3.713	10	20	HHCD	
O=C(NCCCSc1nccs1)/C(=C\c1ccco1)NC(=O)c1ccccc1	733972036	JHTWWXDNYSUSLA-SAPNQHFASA-N	413.524	3.806	10	20	HHCD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C	734702094	UQVRXNLONKLDAH-UHFFFAOYSA-N	403.910	3.758	10	20	HHCD	
CC(C)Nc1ncccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	735852214	BEZDENSIOBMCAE-HZPDHXFCSA-N	400.498	3.585	10	20	HHCD	
CON(C)C(=O)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	736980823	PBLOWVJGALWFFZ-UHFFFAOYSA-N	409.442	3.853	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cc(F)ccc1Br	740905719	RFQOPZPQHGZNEH-UHFFFAOYSA-N	404.283	3.964	10	20	HHCD	
COc1ccc(Br)c(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1	740905771	SSKWXJICZUVGCI-UHFFFAOYSA-N	416.319	3.833	10	20	HHCD	
CCC(CC)[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CCOCC1	742071109	GFNQNFQEUMQREF-HSZRJFAPSA-N	401.595	3.676	10	20	HHCD	
O=C(NC1CC1)c1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1	742423510	NRXFNVIKJBRGPT-INIZCTEOSA-N	402.445	3.656	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1	742682719	LDFLIXPXPRRSIE-NRFANRHFSA-N	411.546	3.986	10	20	HHCD	
Cc1cc(C)n([C@@H](C)CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	742798264	LFRZXFTVAKTQAR-IRXDYDNUSA-N	406.477	3.838	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F	742801055	XLACKWMWLVIUIX-OAHLLOKOSA-N	421.419	3.784	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1Cl	743282102	IZBZPRBCTNTYAH-DHDCSXOGSA-N	404.900	3.853	10	20	HHCD	
COc1cc([C@@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)cc(OC)c1OC	743536410	JVUBGKQDBURAGM-CQSZACIVSA-N	414.502	3.857	10	20	HHCD	
CCO[C@H]1C[C@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C12CCCC2	743703370	WKPVPBRQZAXMGU-SFTDATJTSA-N	401.551	3.655	10	20	HHCD	
CCn1c(SCC(=O)NCc2c(O)ccc3c2CCCC3)nnc1-c1ccco1	743717281	KGSFLNMOBSSGMW-UHFFFAOYSA-N	412.515	3.551	10	20	HHCD	
CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cc(O)cs2)c2ccc(F)cc2)c1	743733513	KIQVXUCFZJMLPV-SFHVURJKSA-N	405.472	3.516	10	20	HHCD	
COc1ccc(CN2C(=O)/C(=C\c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1	748358557	WWLXQTZLTQXCPL-CXUHLZMHSA-N	402.453	3.710	10	20	HHCD	
COC(=O)c1cc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)s1	749007552	IXHPCKMLZISHPQ-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3cccnc3)on2)cc1	750874764	NONIPRCTBGIYMO-FQEVSTJZSA-N	406.486	3.624	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)ccc21	751111303	FKHHGYNFPHJCCS-UHFFFAOYSA-N	421.522	3.780	10	20	HHCD	
COc1cc(Br)cc(CN[C@H](C)c2noc(Cc3ccccc3)n2)c1O	751991066	LPTJHSBHMTUEBU-GFCCVEGCSA-N	418.291	3.988	10	20	HHCD	
CC(C)(C)OCc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1	752726607	MDKMSNCDQIBMNV-UHFFFAOYSA-N	410.514	3.841	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccco1)Cc1ccccc1O	756330375	WAZITYJPMLPSMC-UHFFFAOYSA-N	411.414	3.543	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1	756378885	JOKQUKONAPSDAG-QRWLVFNGSA-N	418.921	3.556	10	20	HHCD	
C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	756391071	JYDYXYMGURDPPO-LLVKDONJSA-N	403.331	3.800	10	20	HHCD	
Cc1sc(NC(=O)c2ccc3nnnn3c2)c(C(=O)OC(C)C)c1-c1ccccc1	759060747	HWXVWJVYBOUESD-UHFFFAOYSA-N	421.482	3.979	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1O	761781374	XJXOFCJULHYWOK-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
Cc1ccc([C@](O)(CC(=O)NCc2cccc(Br)c2O)C(F)(F)F)o1	765734985	BCJIXOPDGRFGCN-OAHLLOKOSA-N	422.197	3.513	10	20	HHCD	
COc1cc([C@@H](C)NCCCSc2nccs2)ccc1S(=O)(=O)C(F)F	766073591	QREJWQXNNBBCGA-LLVKDONJSA-N	422.544	3.981	10	20	HHCD	
Cc1cc(Cl)ncc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	766344228	VKWZWJRFOLIPHQ-UHFFFAOYSA-N	400.910	3.631	10	20	HHCD	
COc1ccc(Cl)cc1C[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768448692	WIGXJMBBTATEOP-XOBRGWDASA-N	403.906	3.935	10	20	HHCD	
CCOc1cccc(CN2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)c1O	769499858	RRYHXDIXPLHBBR-MRXNPFEDSA-N	402.922	3.720	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1	773365390	KUOSYBXANCDIQE-UHFFFAOYSA-N	423.822	3.990	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)c1C	774274897	UFOFRTXMOVWCRO-UHFFFAOYSA-N	406.534	3.606	10	20	HHCD	
COc1ccccc1[C@H](CNCc1ccc([N+](=O)[O-])c(OC)c1O)N1CCCCC1	774976307	KRLBVXVOGNWYTE-IBGZPJMESA-N	415.490	3.634	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c(C)c1	775208465	LOWSGOWSKIDDJQ-UHFFFAOYSA-N	417.512	3.886	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	775415725	ADWJYRKZXSGBFM-INIZCTEOSA-N	418.563	3.666	10	20	HHCD	
CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)nn3C)SC2=S)cc1	778245234	GHFDJFCBKFJQSG-MDWZMJQESA-N	424.345	3.987	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1	779508626	HHCLGMXGHUKOTE-WQLSENKSSA-N	414.461	3.882	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1	780310537	KXARVZKEQGKCHK-LPHOPBHVSA-N	401.473	3.816	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1noc2c1CCCCC2	780383108	ROLRWOXVHFBWCG-UHFFFAOYSA-N	423.435	3.729	10	20	HHCD	
CO[C@H]1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	783561809	CJRBOSRJADHDKK-BXWAGETQSA-N	424.613	3.757	10	20	HHCD	
CC(C)(O)CN1CCc2c(cccc2NCc2cc(Cl)cc([N+](=O)[O-])c2O)C1	784639640	ZJHANVMUCZZNDV-UHFFFAOYSA-N	405.882	3.695	10	20	HHCD	
COc1cccc(CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c1O	786852867	XMJZWWYZEHARTK-UHFFFAOYSA-N	411.907	3.712	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	789863606	YBRPTYCEJFLYAG-LJQANCHMSA-N	413.949	3.803	10	20	HHCD	
COc1c(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(Cl)cc1C(N)=O	790653392	SKVKZTCYIBJSLG-UHFFFAOYSA-N	418.881	3.958	10	20	HHCD	
CN(C)S(=O)(=O)c1ccccc1NNC(=S)Nc1cc(Cl)cc(Cl)c1	793328651	XUTHHJANJVTLMU-UHFFFAOYSA-N	419.359	3.557	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1	793608624	JAUVUPWGGZFYPX-XZOQPEGZSA-N	423.557	3.526	10	20	HHCD	
COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(OC)cc1O	794382340	AGPDRSBXQHLUTN-HNNXBMFYSA-N	422.319	3.675	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(-c4ncccc4C)n3CC(C)C)CC2)cc1F	802671197	LYAOXOMGUVMCBD-UHFFFAOYSA-N	424.524	3.779	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccncc1OC[C@@H]1CCOC1	807616737	WOJAAXPMRRPBPO-GOSISDBHSA-N	413.518	3.714	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]nc1-c1ccc2c(c1)OCCO2	807833449	ACSNNFSLFXUNJJ-UHFFFAOYSA-N	420.252	3.790	10	20	HHCD	
Cc1occc1CN(C)C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	807952221	JRTHHHNTBQIUNZ-OAHLLOKOSA-N	417.937	3.753	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cc(C)cc(I)c2)c1O	809709801	SBXVBXVSEQETLK-UHFFFAOYSA-N	414.199	3.834	10	20	HHCD	
O=C(Nc1ccc([C@@H]2CCOC2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	815361846	VQTNTYHOTGKKEH-LJQANCHMSA-N	420.465	3.657	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C2CC2)cc1	914437883	LPXMCFLPSCGSFA-UHFFFAOYSA-N	408.470	3.554	10	20	HHCD	
Cc1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)n1-c1ccccn1	914849484	MEIPSHALQJBHMS-UHFFFAOYSA-N	402.498	3.524	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(N2CCCCC2)nc1	916680838	BOFARSPSXXFZAP-UHFFFAOYSA-N	411.575	3.947	10	20	HHCD	
C[C@@H]1Sc2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2NC1=O	920494550	OTQQYLOREBWHMI-YOEHRIQHSA-N	412.511	3.646	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	921279362	URZUYZAVCODNHI-UHFFFAOYSA-N	407.474	3.897	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2ccc(N3CCCCC3)cc2)nc1	1317809641	ZFKOCTXUZIQMCA-UHFFFAOYSA-N	416.591	3.739	10	20	HHCD	
C[C@H](CCNC(=O)NCc1ccc(N2CCCC2)cc1)N(C)C(=O)OC(C)(C)C	1318416140	KUSARVDRNHPMEO-QGZVFWFLSA-N	404.555	3.732	10	20	HHCD	
CN1CCN(c2ccc(CN(C)C[C@H]3CCN(Cc4ccccc4)C3)cc2F)CC1	1319712003	OCULCXUJFOBVGR-HSZRJFAPSA-N	410.581	3.531	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)cc1	1321229293	CVUDOQXPRCXXIR-QZTJIDSGSA-N	404.432	3.955	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cnc2ncc(Br)cc2c1	1327167875	SVSVXNCHMUFOMY-UHFFFAOYSA-N	404.611	3.834	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCCC[C@H]3CN3CCCC3=O)c2C)cc1	1347739433	WXHLLNSBCVDUDE-FQEVSTJZSA-N	409.530	3.720	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc(Br)c1O	12619183	QCXFKORJOSQSEG-QPEQYQDCSA-N	423.313	3.964	10	20	HHCD	
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1	23398175	YCHLVRZNYAADTR-UHFFFAOYSA-N	410.561	3.773	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cnc21	141908217	OMTPMXVEXDMOGD-MRXNPFEDSA-N	408.506	3.732	10	20	HHCD	
COc1cccc([C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)N2CCCC2)c1	195741014	QGXKMYJSCVBCCY-QFIPXVFZSA-N	414.525	3.537	10	20	HHCD	
C[C@H](NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1Cl	302833735	QCWJIQUAZFVMMM-FUHWJXTLSA-N	402.922	3.904	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCC[C@@H]1Cc1ccccc1	303871945	XSDQNLRLLLXRHE-IFMALSPDSA-N	411.521	3.873	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1c(Cl)cc(F)cc1Cl	435439959	XYIDYOUFNHGDCU-UHFFFAOYSA-N	405.278	3.786	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C(=O)N(C)C)cc3)ccc21	482381579	BZQNTSBRONUCHY-UHFFFAOYSA-N	407.514	3.536	10	20	HHCD	
C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1c(Cl)cccc1Cl	726195920	CXMHKVFVWXRNQZ-SNVBAGLBSA-N	417.314	3.604	10	20	HHCD	
CCc1nc(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1	726611427	QNFHSFBSGPNNNR-GJZGRUSLSA-N	420.554	3.500	10	20	HHCD	
CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)s1	727242150	TVKXGKDKUKHGIK-UHFFFAOYSA-N	408.530	3.643	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccccc2)c(C)s1	727244094	SWINZLGRKMCCPY-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)(C)c1ccccc1	728128598	BVRUOHDMALOEHZ-AZUAARDMSA-N	422.573	3.554	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Oc3cccc(S(C)(=O)=O)c3)ccc21	728465150	VCQPALPVMYTWAQ-UHFFFAOYSA-N	401.484	3.527	10	20	HHCD	
Cc1cc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)c(C)n1-c1cccc(C(C)C)c1	729974450	HTTMSXDTGHBNOE-UHFFFAOYSA-N	419.573	3.909	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCC(=O)Nc3ccc(F)c(F)c3)cc2)CC1	731048609	NZVOQGVTMDBJLA-UHFFFAOYSA-N	416.472	3.639	10	20	HHCD	
Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1ccc(N3CCOCC3)cc1)CCC2	732452894	NSNBRDBRSOENCZ-IBGZPJMESA-N	400.548	3.507	10	20	HHCD	
Cc1ccc(Nc2cccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)nn1	736067830	XAXZPOFZPCQBTF-UHFFFAOYSA-N	417.513	3.637	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(C(C)C)cc1	736270622	LGFXKGNEPJKIPI-WMZOPIPTSA-N	402.560	3.865	10	20	HHCD	
CC(C)C(=O)N1CCCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	738086755	MJYLITQKOLCFQQ-UHFFFAOYSA-N	405.336	3.998	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)cc(F)c1	742333976	BSKMXHWMINAGRA-AWEZNQCLSA-N	418.412	3.514	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CCC2CCOCC2)NC(=O)OC(C)(C)C)cc1	742755088	VQSQKUCDPDNYRO-FQEVSTJZSA-N	419.566	3.641	10	20	HHCD	
C[C@H](SCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1	745018946	GMSOSIVPHHFTMJ-HNNXBMFYSA-N	406.498	3.912	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](c1ccccc1)N(C)C	745267148	JFPYQMUPNJHJSZ-GOSISDBHSA-N	420.351	3.989	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1	745492969	LXZOZJSUWNGOOU-GJZGRUSLSA-N	412.372	3.807	10	20	HHCD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745752392	DKBKFIMXGRZKSR-DOTOQJQBSA-N	419.472	3.893	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)cc1	746389230	GHMWDXJADLIKNK-UHFFFAOYSA-N	401.454	3.811	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)C[C@H](C)O1	749125370	FBVBPLJCVBQAMG-IRXDYDNUSA-N	421.557	3.928	10	20	HHCD	
O=S(=O)(/C=C\c1ccccc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1	751238764	CNGOGEGRANCCRA-KAMYIIQDSA-N	420.962	3.639	10	20	HHCD	
Cc1ccc(-n2nnc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)c2C)cc1	751303672	ZCHVRINBYPPVHC-UHFFFAOYSA-N	409.453	3.846	10	20	HHCD	
COCCOc1cc(C)ccc1NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753877819	CBPQOJHIONJMKW-UHFFFAOYSA-N	417.481	3.522	10	20	HHCD	
C[C@H](NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(Br)cc(F)c1O	756574521	MVWAIOAFAGRYHM-WFASDCNBSA-N	401.320	3.588	10	20	HHCD	
COc1cc(Br)c(COC(=O)/C=C\c2ccc(O)c(O)c2)cc1OC	759588256	KABDZQZPIVXRPU-XQRVVYSFSA-N	409.232	3.634	10	20	HHCD	
C[C@]1(c2ccccc2)NC(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C1=O	761162716	VPZHFAHFQFSKNP-JOCHJYFZSA-N	415.440	3.724	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(OC)c(OC)cc1OC	761753626	SZAZJHXSTGUGTL-UHFFFAOYSA-N	424.291	3.843	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3ccc(-c4c(C)noc4C)cc3)CC2)cc1	762232008	WKZRQGPTUXEEQS-UHFFFAOYSA-N	421.497	3.695	10	20	HHCD	
Cc1coc(-c2cc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2C)n1	764252045	FKJCRUJHDOZZFC-UHFFFAOYSA-N	406.486	3.622	10	20	HHCD	
Cc1c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)nnn1-c1ccccc1	765287039	NBEKFBBQQHQNIE-MRXNPFEDSA-N	409.509	3.527	10	20	HHCD	
Cc1cccc2c(CCNC(=O)NCc3cccc(Br)c3O)c[nH]c12	765516911	RKRHEPGZMJZEGH-UHFFFAOYSA-N	402.292	3.986	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cnc(S)n1-c1ccc(F)cc1	765766723	AQOJYYWMQYPNLM-UHFFFAOYSA-N	422.279	3.698	10	20	HHCD	
C[C@@H](NC1CCN(CCC(=O)N(C)C)CC1)c1ccc(N2CCCCCC2)cc1	765885652	NICBAUXEKCAYBU-HXUWFJFHSA-N	400.611	3.660	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	765894453	SDCIMSKZNNBIES-OIBXWCBGSA-N	423.557	3.603	10	20	HHCD	
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1	765927527	SCUVUCJPFWYHGL-GFCCVEGCSA-N	421.291	3.587	10	20	HHCD	
Cc1c(F)cccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769931335	GDVKFEAMSFAQIK-UHFFFAOYSA-N	406.460	3.954	10	20	HHCD	
CC(C)Nc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1	771064134	ISPYPENDKDPTDX-GOSISDBHSA-N	402.926	3.655	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccc(N(C)C)cc1)C1CC1	771790587	DNRSKFHTPMTJQB-UHFFFAOYSA-N	412.490	3.663	10	20	HHCD	
C[C@@H]1CCN(CCOc2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2)C1	771844462	VSIHHLMIDSGZFY-OAQYLSRUSA-N	408.590	3.771	10	20	HHCD	
COc1ccc(F)cc1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	772946392	QKKHFRBYZFIQAB-UHFFFAOYSA-N	408.420	3.763	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccccc1	774316089	IRZLTMHDTXURAO-SFHVURJKSA-N	405.498	3.752	10	20	HHCD	
Cc1cc(C)cc(OCc2noc(CN[C@H](C)c3ccc(N4CCOCC4)cc3)n2)c1	775259808	LLEVTFKDTXKKKB-LJQANCHMSA-N	422.529	3.953	10	20	HHCD	
O=C(Nc1cccc2cc[nH]c12)c1cc(NS(=O)(=O)c2cccs2)ccc1O	775285787	BYMZAUUKWWDJKS-UHFFFAOYSA-N	413.480	3.988	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H](c2ccc(F)cc2)c2cnn(C)c2)c1O	775338517	CSAZBUSWCMFHCL-SFHVURJKSA-N	420.282	3.915	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(NC(C)=O)c3ccccc23)c1	778004167	BZFPKUPSLUKOGY-CYBMUJFWSA-N	414.483	3.552	10	20	HHCD	
C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	779341779	ORWLDAILLKFSNU-AWEZNQCLSA-N	402.457	3.752	10	20	HHCD	
COc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	782424082	XXENIJNVRJJTRA-UHFFFAOYSA-N	407.470	3.522	10	20	HHCD	
Cc1ccncc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	783001979	NUZUNQKVQRKPSY-CVEARBPZSA-N	413.477	3.843	10	20	HHCD	
CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	787869143	LTGFDLMVJXLSBE-OAQYLSRUSA-N	409.530	3.569	10	20	HHCD	
CC(=O)Nc1ccc(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cn1	790083880	VXKRKKDLPUMQBT-UHFFFAOYSA-N	410.905	3.960	10	20	HHCD	
CS(=O)(=O)c1cc(CNCc2c(O)ccc(Cl)c2F)cc(C(F)(F)F)c1	790601675	MOEIGOCQQVIPAL-UHFFFAOYSA-N	411.804	3.897	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1	790673439	OPAJELTVUOIEDJ-KRWDZBQOSA-N	417.575	3.887	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cccc(OCC(F)(F)F)c2)c1	793309742	QIKMNHJMTACPOK-CYBMUJFWSA-N	412.408	3.945	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(I)c1	793430390	VCRPLFGGZWZGFJ-UHFFFAOYSA-N	417.268	3.668	10	20	HHCD	
Cc1ccccc1-n1nccc1/C=C1/SC(=S)N(CC(C)(C)CN(C)C)C1=O	794862086	NIEAJSAPEKKXPB-LDADJPATSA-N	414.600	3.970	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)c(O)c1	797389365	DBLNSGNPJOJIBS-UHFFFAOYSA-N	414.845	3.878	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(Br)s2)SC1=S	799201326	XCVANVDIWFQPPV-VQHVLOKHSA-N	406.348	3.665	10	20	HHCD	
COC[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)[C@H]1CCCO1	799984821	KSNUTTBGLIEAAU-ZAAXVRCTSA-N	409.958	3.570	10	20	HHCD	
CC(C)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)no1	800637186	UWKQVEAFRUBSHB-CQSZACIVSA-N	418.925	3.943	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1	801548831	SAJRFKCQCPOAJY-UHFFFAOYSA-N	400.431	3.920	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(Cl)c1Cl	803664004	DOYVSUCTIASKSJ-LLVKDONJSA-N	412.292	3.692	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1	804542382	XXZSKURNPAOAJS-GGAORHGYSA-N	407.558	3.629	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1O	808437476	PJPKFEPQVMNNBK-KBXCAEBGSA-N	405.336	3.916	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1OCCc2sccc21	813583759	AYOOSIXDAQGKJH-YWZLYKJASA-N	417.600	3.803	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ncoc2C2CC2)NC(=O)OC(C)(C)C)cc1	815710735	UEVIJNCAPAKSOY-QGZVFWFLSA-N	414.506	3.614	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(NCc2c(O)cccc2Br)cc1	863988471	QZZWVYCCSCMPDB-UHFFFAOYSA-N	413.337	3.797	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1C(N)=O	914791233	KQDXMXGMYZRSFZ-UHFFFAOYSA-N	413.933	3.733	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1C	915220337	YFNLEDJVUFMYIK-UHFFFAOYSA-N	417.512	3.886	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1=O	917635001	GAXJUNFQKNJBDO-NRFANRHFSA-N	413.468	3.719	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1-c1ccccc1	917713531	RWGGVOJKRDJSFC-CALCHBBNSA-N	422.504	3.863	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccc(Cl)cc1F	917913536	KAZSUTYZSQXSGS-UHFFFAOYSA-N	400.928	3.511	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)c1cc2c(cc1Br)OCCO2	918096774	BNDRQXCBUJHSDR-LBPRGKRZSA-N	421.291	3.829	10	20	HHCD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)C2	918208058	CSDQCHVTXUGHGX-GRWTVWFQSA-N	403.542	3.801	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cncnc3CC)c2C)cc1	919391540	OWDMIWQAEDHHFN-UHFFFAOYSA-N	407.470	3.885	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C/c3ccccc3OC(F)(F)F)SC2=S)CC1	920471740	DLGYZGVGFOLWDL-UVTDQMKNSA-N	402.463	3.881	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1	1342916612	PZPIGTCPUZGZQZ-IBGZPJMESA-N	424.497	3.781	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(NC(N)=O)cc2)c(C)n1-c1cccc(F)c1	3409176	PDCZWJPREWHTFH-UHFFFAOYSA-N	409.417	3.764	10	20	HHCD	
C[C@H](SC(=S)N1CCCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21608183	RHCJCPZUCACGPM-ZDUSSCGKSA-N	424.547	3.903	10	20	HHCD	
O=C(COc1ccc(Br)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	248006964	UKUKPUNEFAKFFY-SFHVURJKSA-N	420.303	3.741	10	20	HHCD	
Oc1ccccc1CN(C[C@H]1CCCO1)c1nn2cc(-c3cccnc3)nc2s1	302200599	UZTUHWOXQCGNTO-QGZVFWFLSA-N	407.499	3.744	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1F	303317210	HCCIBTYIWOBMSK-CQSZACIVSA-N	405.901	3.760	10	20	HHCD	
Cc1cc(C(=O)Nc2cccn(C)c2=O)c(C)n1-c1ccc(Br)cc1	303509321	BWHQFPXUNAXKFD-UHFFFAOYSA-N	400.276	3.808	10	20	HHCD	
CCn1cc(Br)cc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1	725888541	JDNRADMNJCZFKP-UHFFFAOYSA-N	406.324	3.632	10	20	HHCD	
CCc1nc(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cs1	726611425	QNFHSFBSGPNNNR-GASCZTMLSA-N	420.554	3.500	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C(C)C)cc3)n2)c[nH]1	727247709	JRXJZEXWGKMMKV-UHFFFAOYSA-N	405.501	3.849	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)CC2)cc1	728693778	GFWIPIYZWNHYMF-UHFFFAOYSA-N	408.502	3.714	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H]3C(C)(C)C)cc2F)C[C@@H](C)O1	729474595	JVQXSCBPWNZXNQ-LLGFUMIMSA-N	405.558	3.566	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1	730741562	LYNHKOVUCJBALM-UHFFFAOYSA-N	405.836	3.854	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(OC4CCCC4)c3)cc2)C1	731167924	BGPKMXXARGTNEM-HXUWFJFHSA-N	421.541	3.640	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](OCC(F)(F)F)C2)cc1F	731364297	WPNZARCPLMSYJU-OAHLLOKOSA-N	405.436	3.925	10	20	HHCD	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)Nc1ccc2c(c1)OCO2	735233582	GXZBATZGVDCHCY-UHFFFAOYSA-N	400.338	3.656	10	20	HHCD	
CN(C)CCNC(=O)c1ccc(CNCc2cc(-c3ccccc3)ccc2O)cc1	736641775	MLTZKLCKBUSNHC-UHFFFAOYSA-N	403.526	3.640	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1	741097296	NQPALTLPUGALCU-UHFFFAOYSA-N	405.498	3.639	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(-c4ccccc4)c3)cc2F)C[C@@H](C)O1	741392037	GTHBBTQEOYZSEL-CALCHBBNSA-N	423.492	3.947	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@@H](c3ccccc3)C(C)C)CC2)cc1	742491668	OGKRAUOQMYXAPR-XMMPIXPASA-N	409.574	3.763	10	20	HHCD	
COC(=O)c1nc2nc(C)cc(NCc3ccc(N(C)C4CCCCC4)cc3)n2n1	742564404	IETOJUISTTYIGL-UHFFFAOYSA-N	408.506	3.600	10	20	HHCD	
C[C@@H](c1ccccn1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	744280609	QOMRMSRBTCVHCM-HNNXBMFYSA-N	422.451	3.840	10	20	HHCD	
C[C@@H](O)c1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	745789971	DZDUUXKAIFTANA-CRAIPNDOSA-N	419.472	3.810	10	20	HHCD	
CCN(CC1CCN(c2ccccn2)CC1)C(=O)NCc1ccc(N(C)C)cc1C	745826727	AGVGCMJURDLOEO-UHFFFAOYSA-N	409.578	3.904	10	20	HHCD	
CC(C)C[C@@H](CCO)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745902927	BFXGJQCKQMFHCR-IAGOWNOFSA-N	413.509	3.601	10	20	HHCD	
Cc1c(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cccc1[N+](=O)[O-]	747903323	WAMRDIDGSFROHR-MRXNPFEDSA-N	419.428	3.832	10	20	HHCD	
O=C(c1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)c1cc[nH]c1	748849534	QBVLMIAEEWYHPU-NRFANRHFSA-N	404.466	3.773	10	20	HHCD	
Cn1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1-c1ccc(F)cc1	749171101	BNNKLQLDHZBTFD-UHFFFAOYSA-N	411.452	3.737	10	20	HHCD	
CCS[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	750298220	DCSWRZLQSDMRRG-QUCCMNQESA-N	409.571	3.650	10	20	HHCD	
CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCCC[C@@H]1C	751929676	AYFAHSRECHZEBT-MGPUTAFESA-N	415.559	3.899	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCC[C@@H](C)N1CCCCC1	753411058	OSVKPNJSZDWVGS-OAHLLOKOSA-N	412.372	3.951	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3ccc(Br)cc3)CC2)cc1F	753739537	HBKWKVJGQYHGHE-UHFFFAOYSA-N	421.310	3.878	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3F)CC2)cc1F	753856541	CRPIJQKAKZTIGR-ZDUSSCGKSA-N	409.864	3.776	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1F	753857412	LPGMZVFYPBDIAK-UHFFFAOYSA-N	412.292	3.902	10	20	HHCD	
Cc1nn(C)c2sc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc12	754551865	LVWGGYDHCSNBMF-UHFFFAOYSA-N	401.447	3.971	10	20	HHCD	
C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1	755249516	RLCAIHLQYQXNPO-KRWDZBQOSA-N	418.534	3.542	10	20	HHCD	
C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1cc2c(cc1O)CCCC2	756467676	WUQQCLHILAWKAR-LJQANCHMSA-N	410.558	3.833	10	20	HHCD	
C[C@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cc(Br)ccc1O	756548156	IZDUSYNTJGIHJR-HNNXBMFYSA-N	419.363	3.962	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1	756597077	KAKNHIWLAYVMQE-CXAGYDPISA-N	402.878	3.678	10	20	HHCD	
COCc1nc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	759193468	AYURVUFZGUVQMA-CYBMUJFWSA-N	411.474	3.598	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(C(F)F)cc3)CC2)cc(OC)c1OC	759240476	SQSWQKPRERRHRI-UHFFFAOYSA-N	406.429	3.612	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)c2ccc(CCNS(C)(=O)=O)s2)s1	759714806	VJNILCSFLLUZCT-UHFFFAOYSA-N	418.631	3.569	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1noc(-c2ccccc2)n1	761799449	PJSAHAVJOWQQRU-QFBILLFUSA-N	422.485	3.894	10	20	HHCD	
CSc1nsc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	762954559	YBJOIEYEHINHAP-UHFFFAOYSA-N	415.491	3.652	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc4oc(N(C)C)nc4c3)CC2)cc1	766164457	PFLZOHPCQNNGPD-UHFFFAOYSA-N	409.490	3.647	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CSc2nncn2-c2cccc(Cl)c2)c1	768912310	ZXXHBIPBUWCUJF-GFCCVEGCSA-N	418.906	3.604	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC(N(C)S(C)(=O)=O)CC2)cc1	769124610	FXUGJXXUIZSPQH-UHFFFAOYSA-N	415.603	3.569	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	770161212	XNSRMDMZKXVLHJ-OAHLLOKOSA-N	408.420	3.955	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC(=O)Nc2cccnc2)cc1	772101841	QBZDXXMHMNUKOC-UHFFFAOYSA-N	402.458	3.932	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1	772798256	YNHSOGHVKKWTRE-FNORWQNLSA-N	423.387	3.832	10	20	HHCD	
C[C@@H](NC(=O)c1oc2ccccc2c1CS(C)(=O)=O)c1ccc(N(C)C)cc1	773016919	DNBRUNWUGSLJGT-CQSZACIVSA-N	400.500	3.534	10	20	HHCD	
O=C(NCc1ccccc1O)NCc1cc(Br)ccc1Br	773632518	AMLLVTACPYLLFQ-UHFFFAOYSA-N	414.097	3.917	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1	773741547	KLSJRJFDZBLHOW-GDBMZVCRSA-N	411.527	3.671	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(-c4cncnc4)cc3F)c2)CC1	773870150	FNFDRLQLNMSYFD-UHFFFAOYSA-N	405.477	3.677	10	20	HHCD	
C[C@H](NC[C@@H](O)CO[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	775262212	ZLFNZLUWVXBTLB-DNVKUUNQSA-N	410.558	3.629	10	20	HHCD	
CC[C@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1O	775521879	CXMQRGKEAMAHHI-BJLQDIEVSA-N	411.384	3.963	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cccc4ccccc34)CC2)cc1	778225975	CNJMWCGVXGBUMP-BUHFOSPRSA-N	415.493	3.692	10	20	HHCD	
Cc1cc(Br)ccc1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	778626329	FTUWOVOJYWUZBU-UHFFFAOYSA-N	421.310	3.592	10	20	HHCD	
COc1cc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OCc1ccncc1	779502663	WBCGFPKPZDDCJC-KZJSRBBCSA-N	420.465	3.971	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1	779513772	KNJYWSWZQBUTIR-QPEQYQDCSA-N	423.513	3.954	10	20	HHCD	
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)cc1	779985732	CIUVNLQBMGAEPN-MRXNPFEDSA-N	421.463	3.972	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cnc2ncc(Br)cc2c1	780682596	VDMHXWCFQDOOMZ-UHFFFAOYSA-N	409.334	3.761	10	20	HHCD	
CCn1nnnc1-c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	782779158	AGYPCTPWXQEEIE-UHFFFAOYSA-N	407.522	3.869	10	20	HHCD	
CCCc1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)co1	786527600	RMZPORZFQVRMHM-UHFFFAOYSA-N	424.453	3.846	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)C1	789014926	UDMPDDJFRBFHIS-BZUAXINKSA-N	419.477	3.512	10	20	HHCD	
CC[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(CC)CC)cc3)sc2C1	789378752	RUBOZDGOKFYUAZ-HNNXBMFYSA-N	414.575	3.759	10	20	HHCD	
COCCC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(Br)c1O	792282984	PVFGUQXENNHSIP-KRWDZBQOSA-N	421.335	3.992	10	20	HHCD	
CCOC(=O)c1nn(C)cc1/C=C(/Cl)c1nc2ccc(Br)cc2n1C	792890891	QURRBKWVPVIBJW-KPKJPENVSA-N	423.698	3.983	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	792977579	MDHZCEBEUSSVHL-IAGOWNOFSA-N	406.979	3.857	10	20	HHCD	
COc1cc(C)cc(CN(C)Cc2cn(-c3cccc(Br)c3)nn2)c1O	794882733	OQSMHFLAHINSAT-UHFFFAOYSA-N	417.307	3.684	10	20	HHCD	
COc1ccc(CNS(=O)(=O)c2ccc(OC(C)C)c3ccccc23)c(O)c1	795356422	CZXJPYOTBKKKAY-UHFFFAOYSA-N	401.484	3.820	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	798060988	PYZKYJNHVCYZEY-PDIWNELESA-N	409.530	3.838	10	20	HHCD	
COc1cc(N2CCN(C(=O)CC3CC(c4ccccc4)C3)CC2)cc(OC)c1OC	798497258	IFONIJSJMTVBQH-UHFFFAOYSA-N	424.541	3.945	10	20	HHCD	
CSCCCN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	798740197	NLJWREWWUASFKG-OWBHPGMISA-N	414.643	3.941	10	20	HHCD	
Cc1cccnc1[C@@H]1CCC[C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	798926887	NNKSBRAEJKYTSX-VSKRKVRLSA-N	406.574	3.908	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1OC	799183706	ZOQDPTLMKRWHMF-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1	801971084	XTBCSGJKBXANHE-HXUWFJFHSA-N	415.534	3.679	10	20	HHCD	
CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)NCc1ccccc1O	806644847	KUJMUEDMERNFQS-LJQANCHMSA-N	411.502	3.726	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1Cl	806881893	DRGUPCVTMVXFLV-UHFFFAOYSA-N	415.921	3.635	10	20	HHCD	
CC(C)N(CCCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)C(C)C	807666991	QBYVPJICSLTAMQ-UHFFFAOYSA-N	417.594	3.679	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(C(C)C)c1	807800657	LIRKNAKMWQAGDX-SFHVURJKSA-N	402.560	3.772	10	20	HHCD	
CCCNc1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	807845873	ATZNCGPMSFLNOD-UHFFFAOYSA-N	422.573	3.774	10	20	HHCD	
Cc1c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccc(Cl)cc1	808916120	NRBLJQAOZQBQKD-GFCCVEGCSA-N	400.866	3.998	10	20	HHCD	
CC(C)[C@@H](NCc1cc(Br)cc(Br)c1O)c1nncn1C	809691888	NRLIOFQHENPDCA-GFCCVEGCSA-N	418.133	3.533	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(C(C)C)n3C[C@@H]3CCCCO3)CC2)cc1	812438860	SHELRICWLJOAQD-NRFANRHFSA-N	413.566	3.696	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc([N+](=O)[O-])ncc1Br	813685917	VUNJZGUODVPNJE-UHFFFAOYSA-N	421.034	3.695	10	20	HHCD	
Cc1cccc(OCCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	857472748	NTGMQQLSZIRXRW-IBGZPJMESA-N	402.922	3.904	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)c1C	917399785	DJIZKEGMPLYVNY-UHFFFAOYSA-N	423.538	3.834	10	20	HHCD	
CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	917708850	IQEOZXUDYULTAT-UHFFFAOYSA-N	400.494	3.655	10	20	HHCD	
CC(C)CCOc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1	917759604	RWAUYRBLSVZXEC-UHFFFAOYSA-N	404.532	3.749	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CCCc2ccccc21	918117308	KCOUWUHUXPQJIV-NFBKMPQASA-N	420.557	3.607	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cccc3c2COC3=O)n1	918742951	PUBLMHJQRWGUSV-UHFFFAOYSA-N	416.480	3.598	10	20	HHCD	
COc1ccc(O)c([C@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)c1	920405650	CZQXZNLIKLJKPB-DEOSSOPVSA-N	404.466	3.610	10	20	HHCD	
CC(C)C(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1	1788672613	YPWRUYHWPRLDOR-UHFFFAOYSA-N	418.497	3.569	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c1C	25238773	OLFOVTCHMVIFGA-UHFFFAOYSA-N	411.527	3.704	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)cc1F	303526451	QIZIACNQRKMXGT-RTBURBONSA-N	403.542	3.717	10	20	HHCD	
Cc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1I	437026964	QPVFGPVZVCQXAN-UHFFFAOYSA-N	422.266	3.705	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3)ccc21	556929442	BMMPCKLFVHTUKH-KRWDZBQOSA-N	411.468	3.661	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c2ncccc2c1	727358465	DTLQTIHYOSLVJA-UHFFFAOYSA-N	421.526	3.655	10	20	HHCD	
CS(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cn1	729268397	DLZAWLOMGDRDRC-UHFFFAOYSA-N	403.504	3.558	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@H](O)c3cccc(C(F)(F)F)c3)ccc21	730904584	UBQGUPMGJFHRKC-IBGZPJMESA-N	407.436	3.621	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(I)c(F)c1	734406802	YBNKPEUMFBSXLD-UHFFFAOYSA-N	412.246	3.735	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C3(c4ccccc4F)CC3)cc2F)C[C@H](C)O1	736004557	LNFAHNVVMRUYDK-HOTGVXAUSA-N	400.469	3.926	10	20	HHCD	
C[C@H](NC(=O)N[C@H](Cn1cccn1)c1ccccc1)c1ccc(N2CCOCC2)cc1	741269252	FJNMEBKLKRKOTA-WMZHIEFXSA-N	419.529	3.521	10	20	HHCD	
Cc1nc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)sc1C	743709069	RVQXBZRSFCDZLI-UHFFFAOYSA-N	410.490	3.830	10	20	HHCD	
CN1C(=O)C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)[C@H]1c1cccc(Cl)c1	743719641	MUJNTBRIUICAHQ-PGRDOPGGSA-N	412.917	3.760	10	20	HHCD	
CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	745183012	LJFIAHSMZYGUNO-INIZCTEOSA-N	401.482	3.621	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(N=c2cc[nH]cc2)cc1)c1ccc(N2CCOCC2)cc1	746168723	OTOFROCRJUKRCS-GOSISDBHSA-N	402.498	3.575	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1ccc2c(c1)CCCN2C	746984230	DLWSXUVMJCGQKO-UHFFFAOYSA-N	403.530	3.871	10	20	HHCD	
COc1ccccc1N1CC[C@@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	750330278	AFMWCWIHHRPPKJ-FQEVSTJZSA-N	422.573	3.962	10	20	HHCD	
O=C1/C(=C\c2ccc(N3CCCC3)nc2)SC(=S)N1c1ccc2c(c1)OCO2	758414562	BLVXPFCVZHRFRS-RQZCQDPDSA-N	411.508	3.816	10	20	HHCD	
CN(C)[C@@H](CNC(=O)NCCCSc1nccs1)c1c(F)cccc1F	759580558	POORLMDNSCZLRW-AWEZNQCLSA-N	400.520	3.506	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NCc2c(O)ccc3c2CCCC3)C1	759618277	NLZSIBTWOMBODM-MRXNPFEDSA-N	402.535	3.924	10	20	HHCD	
CCc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1C(C)(C)C	761983997	UUTCSVCCFJORBA-KRWDZBQOSA-N	418.969	3.954	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(I)ccc2F)cc1F	762166823	FGPWTJXFXCFNIH-UHFFFAOYSA-N	416.209	3.565	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1	765471678	IPRAKRYCSIADLC-GOSISDBHSA-N	415.603	3.866	10	20	HHCD	
COc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)ccc1S(=O)(=O)C(F)F	765475533	XHVQONWSURSUGJ-GFCCVEGCSA-N	416.465	3.747	10	20	HHCD	
Cc1cc(CC(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	768120429	KPFORGGSVSAVRC-HXUWFJFHSA-N	422.978	3.716	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)c1	768360374	LLMPRLSEDXEUTF-UHFFFAOYSA-N	404.264	3.644	10	20	HHCD	
CCN(Cc1ccc(-n2cncn2)c(F)c1)Cc1cc(Br)ccc1O	769541994	YBJUNJIKWDOIBC-UHFFFAOYSA-N	405.271	3.897	10	20	HHCD	
CCC(=O)c1cccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1	771523418	HUIUZHCVSPGKNH-UHFFFAOYSA-N	412.509	3.882	10	20	HHCD	
COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1Br	773084913	UPCHNUVETQHABN-GFCCVEGCSA-N	413.337	3.563	10	20	HHCD	
Cc1coc2ccc(NC(=O)C(=O)NCc3ccc(N4CCSCC4)cc3)cc12	773242875	CBOYGRDVBNOZBB-UHFFFAOYSA-N	409.511	3.549	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1Br	773860183	WHDLNPMZBFDFKQ-CYBMUJFWSA-N	404.308	3.639	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1O	774943190	WLDPEPQTBWPLKJ-UHFFFAOYSA-N	417.462	3.988	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N(C)C)cc1	776118951	XJZUKSVXSSZIBG-QGZVFWFLSA-N	420.513	3.836	10	20	HHCD	
COc1ccccc1N1C(=O)/C(=C\c2cc(Br)nn2C)SC1=S	778247808	MRYDNLVJWNNCPT-KPKJPENVSA-N	410.318	3.597	10	20	HHCD	
COc1ccc([C@@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)C(F)(F)F)cc1	780406648	QPHKMIBGIFTWRK-HXUWFJFHSA-N	409.452	3.613	10	20	HHCD	
Cc1ccc(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)c(O)c1O	780906087	ABNPVCZGARMGJJ-UHFFFAOYSA-N	401.260	3.849	10	20	HHCD	
Cc1nn(C)c(C)c1NC(=O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2	782721089	KIXGIFKDNWUFRK-UHFFFAOYSA-N	412.515	3.515	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1	783504568	ORNFLCFJCRVRIG-AZUAARDMSA-N	403.567	3.963	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C(C)=C\c3ccccc3Cl)cc2)CC1	786257452	OWPOWRIDSKIWSW-ICFOKQHNSA-N	411.933	3.728	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	788322171	VKTATJWJZUDPMX-UHFFFAOYSA-N	414.201	3.726	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCC[C@@H]1Cc1ccccc1	788933499	WMBUJDQJKHNBPA-HSZRJFAPSA-N	405.542	3.527	10	20	HHCD	
O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1c(F)ccc(O)c1O	790069722	POWYEHULBXIOFB-QGZVFWFLSA-N	412.486	3.828	10	20	HHCD	
Cc1ccc(O)c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1	790072474	NWIIFZPIEDTTMF-GXDHUFHOSA-N	419.553	3.777	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC	790411240	HOHVDGIUSVAGIG-GFCCVEGCSA-N	415.895	3.659	10	20	HHCD	
COc1ccc2c(c1NC(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2	792457810	LQSQSHDNNMZQNY-UHFFFAOYSA-N	413.493	3.606	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(OC(C)(C)C)cc1	793817244	OGSUTANHZCHYQQ-UHFFFAOYSA-N	411.546	3.595	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C\c2ccnn2-c2ccc(F)cc2)SC1=S	794870634	WYRKNKNPUWRBSU-FOWTUZBSSA-N	419.503	3.858	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)cc1	795298716	HKXUAIGFTBBRSQ-UHFFFAOYSA-N	416.524	3.916	10	20	HHCD	
CC(=O)c1cc(Br)ccc1OCC(=O)NCc1ccc(N(C)C)cc1C	796504245	RPTBKFDWBWPIRM-UHFFFAOYSA-N	419.319	3.721	10	20	HHCD	
CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1	796697502	XJMNZNKVMOEDGC-DZFGPLHGSA-N	405.583	3.941	10	20	HHCD	
CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	798067330	GPMGOHYXOZHTRP-BEFAXECRSA-N	408.458	3.889	10	20	HHCD	
Cc1ccc(C[C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)c1	805177578	HGWWVUPUAXKZIS-IBGZPJMESA-N	407.558	3.608	10	20	HHCD	
C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)NCCCSc1nccs1	806276226	LMTNXMAPIICQRF-PBHICJAKSA-N	403.573	3.571	10	20	HHCD	
C[C@@H](Oc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F	806846537	RZFKEMQAOXRGPJ-CQSZACIVSA-N	423.435	3.679	10	20	HHCD	
O=C(N[C@@H](CCCO)c1ccccc1)C(=O)N(Cc1ccccc1O)C1CCCCC1	807431287	COEFZACJYQYAGG-QFIPXVFZSA-N	424.541	3.684	10	20	HHCD	
CS(=O)(=O)c1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(F)c1	807959396	RGUMMQCEOBESEM-UHFFFAOYSA-N	414.449	3.912	10	20	HHCD	
CCn1c(Cc2ccccc2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812044195	WJUFZQGCPDVDRL-UHFFFAOYSA-N	405.546	3.923	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC[C@H]21	814176271	OCPIHCUAUWLWPD-IUODEOHRSA-N	411.886	3.785	10	20	HHCD	
C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)OCO2	815835013	IBMUIMBUVXXNAC-KSSFIOAISA-N	416.905	3.659	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CNC(=O)Nc2ccccc2)cc1	914491189	GLIBTLFZTMTTMU-UHFFFAOYSA-N	406.486	3.696	10	20	HHCD	
Cc1cc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c(C)n1-c1ccccn1	914847473	QVJPUPUTKPWCPO-UHFFFAOYSA-N	406.505	3.976	10	20	HHCD	
Cc1cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(C)n1-c1ccccn1	914848462	VZTPAAVLDBZRRU-UHFFFAOYSA-N	420.488	3.663	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCS(=O)(=O)C2CCCC2)cc1	915847834	XLLFKIXZROOMPW-UHFFFAOYSA-N	418.559	3.622	10	20	HHCD	
COc1ccc(N2CCCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1	917209980	IAKUAEHCLINDMX-INIZCTEOSA-N	423.473	3.927	10	20	HHCD	
CCCC[C@@H](CC)CNC(=S)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	917596436	YDWWVKURRRIKES-IEBWSBKVSA-N	404.624	3.569	10	20	HHCD	
CN(C)c1ccc(N2C(=O)C[C@H](N(C)Cc3ccc(N4CCCCC4)cc3)C2=O)cc1	917635952	NUZMDEFWTLPRPY-QHCPKHFHSA-N	420.557	3.507	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1	918212669	RVSOXPVOCYWGID-UHFFFAOYSA-N	404.555	3.732	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)[C@H]2CCOC2)c(C)n1-c1ccc(OC(F)F)cc1	921216298	YDMXPONXBVPTRQ-GJZGRUSLSA-N	407.413	3.846	10	20	HHCD	
Cc1cc(-c2nnc(CCN3C(=O)c4ccccc4C3=O)o2)c(C)n1-c1ccccc1	1322284816	YTZRZWNJIHPDSM-UHFFFAOYSA-N	412.449	3.983	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)C34CC(F)(C3)C4)C2)cc1	1841652649	KNJIFOVADQOKQW-UHFFFAOYSA-N	421.516	3.803	10	20	HHCD	
COc1cccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1O	7885168	XSEAKVLIHORNQE-JOCHJYFZSA-N	404.422	3.896	10	20	HHCD	
C[C@H](OC(=O)Cc1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	10530624	JQSUGUHBGHSVKP-ZDUSSCGKSA-N	419.458	3.636	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cc1	24109130	OIFAJLKHODOADP-LJQANCHMSA-N	423.460	3.819	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3ncccn3)CC2)c(C)n1-c1cccc(Cl)c1	57213261	MWYSWZZYEKBJON-UHFFFAOYSA-N	409.921	3.936	10	20	HHCD	
COc1ccc2nc(C)c(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2c1	65561235	ZURCGYKFSIMOPY-INIZCTEOSA-N	405.498	3.879	10	20	HHCD	
CCOc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	145494112	YMVJICXDUJFQAI-IBGZPJMESA-N	412.530	3.958	10	20	HHCD	
Cc1nc(-c2ccc(N[C@@H](C)c3ccc(N4CCOCC4)cc3)nc2)nc(O)c1C	301368712	OQCJCKIZTQUDBJ-KRWDZBQOSA-N	405.502	3.871	10	20	HHCD	
Cc1cc(OCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Cl	302936593	AKNXHRDIIXKVOH-UHFFFAOYSA-N	402.922	3.552	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(CCN3CCOCC3)cc2)n(C)c2ccccc12	471240747	MUBIIGWRDWPUEN-UHFFFAOYSA-N	406.530	3.683	10	20	HHCD	
CCCCOCCN(C(=O)c1ccoc1CC(N)=O)c1ccc(Br)cc1	512728870	NZIPCHRBAKSXOH-UHFFFAOYSA-N	423.307	3.533	10	20	HHCD	
COCCOc1cccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1	727177226	XVOSBQCVULQCSR-SFQUDFHCSA-N	408.589	3.501	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1	727437030	PHINRYMCOJITCC-FQEVSTJZSA-N	422.356	3.749	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc1F	728748725	YXSXOCRGNFDTDA-UHFFFAOYSA-N	413.493	3.932	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=S)Nc2ccc(C(N)=O)cc2)cc1	728791650	FONUPHNAPQWMTQ-UHFFFAOYSA-N	410.465	3.613	10	20	HHCD	
CCCCN1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1	731219751	GPVGLZDPOTYCOO-NRFANRHFSA-N	404.624	3.694	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](c3nnc(S)n3C3CC3)C2)c(C)n1-c1ccccn1	732170921	WOZAAKOUENTQJS-INIZCTEOSA-N	422.558	3.724	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](CN(C)C)C2)c(C)n1-c1ccc(Br)cc1	733367564	FJSYAHFPVBKNMR-MRXNPFEDSA-N	404.352	3.880	10	20	HHCD	
CCOc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1	739923888	NKUQFAWIONAEAE-UHFFFAOYSA-N	407.470	3.683	10	20	HHCD	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	743559950	QTBVZWBDBPOUDE-UPVQGACJSA-N	423.557	3.799	10	20	HHCD	
C[C@H](NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)c1ccc(N2CCOCC2)cc1	746169202	UMPLWVIEOLGWGO-BTYIYWSLSA-N	419.928	3.796	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CC2(O)CCCCC2)NC(=O)OC(C)(C)C)cc1	746316981	IJMPUIXPYOCWML-IBGZPJMESA-N	419.566	3.520	10	20	HHCD	
CCCN(C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H]1CCS(=O)(=O)C1	747556339	UIJLBCKCEDRBDI-HXUWFJFHSA-N	422.978	3.716	10	20	HHCD	
C[C@@H](Cc1cccs1)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748038927	SABQJKNOQGBIEG-LBPRGKRZSA-N	422.553	3.677	10	20	HHCD	
CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1(CC)CC	749554744	JOMRUINTDYOHRG-VXKWHMMOSA-N	417.594	3.678	10	20	HHCD	
COc1ccc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)cc1OCC(N)=O	749577777	XPTSEHVSFXNDSL-UHFFFAOYSA-N	407.470	3.528	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)N3CCC[C@@H]4CCCC[C@H]43)cs2)cc1	751938396	ZUERNNOCTBIJTP-QFBILLFUSA-N	413.543	3.654	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(CCC(F)(F)F)cc1	753560612	OIUNIOIZGQATJW-UHFFFAOYSA-N	417.478	3.875	10	20	HHCD	
CCOc1ccc(-c2nc(CC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cs2)cc1	753643280	GZZIVBXOKLVFCG-CQSZACIVSA-N	412.511	3.910	10	20	HHCD	
CC(C)(C)O[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	753963372	ITUSLDWSBFEHDX-NRFANRHFSA-N	400.494	3.835	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ccc(I)cc1	754206688	IWVNJYOLQJGMIN-UHFFFAOYSA-N	409.267	3.978	10	20	HHCD	
CC[C@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nc(C)cs1	754325960	TWNUTHKXGGCJPE-KRWDZBQOSA-N	419.506	3.906	10	20	HHCD	
CC(C)Oc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	754835905	XVNARKOFAALNNM-UHFFFAOYSA-N	423.435	3.654	10	20	HHCD	
C[C@H](NCCCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1O	756534586	LOXAWRPUEUAXNH-IBGZPJMESA-N	405.546	3.588	10	20	HHCD	
C[C@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(Br)cc1O	756536089	PIGBPBGTBILGEL-OXJNMPFZSA-N	418.379	3.794	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3cccc(OC(C)(C)C)n3)CC2)cc1F	758588354	DXMKEAVUSMTWJQ-UHFFFAOYSA-N	415.509	3.688	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	759596932	WTHYYNJXRWNCKZ-VEJWIWHQSA-N	408.237	3.767	10	20	HHCD	
CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCCCSc1nccs1	759602879	NPSMBFBDUCIQQV-GOSISDBHSA-N	404.605	3.789	10	20	HHCD	
C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@H](c2ccc(Cl)c(F)c2)C1=O	761160761	ROUNFNAKHITFAY-ORAYPTAESA-N	417.868	3.670	10	20	HHCD	
CCC(=O)N1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1	762561609	IVGSEFFJPCJFEW-INIZCTEOSA-N	418.335	3.597	10	20	HHCD	
CC(C)COC[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccco1	764767418	BFKWJRVJCFZCNR-HNNXBMFYSA-N	411.296	3.961	10	20	HHCD	
CN(CC(=O)N(Cc1ccco1)c1ccccc1)Cc1ccc(N2CCOCC2)cc1	764861580	NBQRMQYWIMOOFB-UHFFFAOYSA-N	419.525	3.781	10	20	HHCD	
COc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc(OC)c1OC	765288597	XZYMJSIVTYXRAL-OAHLLOKOSA-N	418.509	3.663	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c(C)n1-c1ccc(Br)cc1	768450207	SMCUKHADRLXRND-YEBMWUKDSA-N	411.365	3.696	10	20	HHCD	
COc1cccc(CN2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1O	768532492	LCWQYJRYOFIPBC-KRWDZBQOSA-N	408.502	3.638	10	20	HHCD	
Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	770089797	HZDKZIFKQUZRAG-HNNXBMFYSA-N	402.882	3.870	10	20	HHCD	
Cc1nc(N2CCOCC2)ccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	770259615	FQFDOTKLLJXWFZ-UHFFFAOYSA-N	423.561	3.881	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1F	770277449	ALBMGTMBUVLPJS-UHFFFAOYSA-N	421.490	3.842	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1[N+](=O)[O-]	771185565	JXMYAZFZAGXCHY-GASCZTMLSA-N	416.453	3.978	10	20	HHCD	
COc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1I	773002153	YEPZTSWKZKDFAJ-LBPRGKRZSA-N	424.282	3.857	10	20	HHCD	
C[C@@H](NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(N(C)C)cc1	773023388	XMQKASOTAGDTFR-APWZRJJASA-N	401.551	3.967	10	20	HHCD	
C[C@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(Cl)c(Cl)cc1O	774236113	HYRYJZOAMOEOMY-VIFPVBQESA-N	417.305	3.614	10	20	HHCD	
FC(F)(F)c1ccccc1N1CC[C@H](NCc2ccc(N3CCOCC3)cc2)C1	775372196	YFGUEJHCUUWSKO-SFHVURJKSA-N	405.464	3.911	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(F)cc3F)C(C)(C)C)nc12	775542681	NUUJTTDLOPICKE-GOSISDBHSA-N	418.444	3.767	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1nnc(-c2ccccc2)n1	777823795	XUGGIQAFEYNIHZ-GOSISDBHSA-N	413.481	3.836	10	20	HHCD	
O=C(COc1ccc2cc(Br)ccc2c1)NCc1ccc(O)c(O)c1	778926278	CHKUKCPMQMYSIH-UHFFFAOYSA-N	402.244	3.709	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccccc2CN2CC[C@@H](O)C2)c1O	779049496	IBODGIARKSLTMU-HNAYVOBHSA-N	419.363	3.881	10	20	HHCD	
CN(Cc1cc(Br)cc(Br)c1O)C[C@H]1CCCC[C@@H]1O	779154606	WQDRNMGWSXXNDG-YGRLFVJLSA-N	407.146	3.900	10	20	HHCD	
Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c(O)c1O	780994146	BIEFSPBZYKKKLR-VWLOTQADSA-N	403.478	3.883	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCN(C4CCOCC4)C[C@@H]3C)c2C)c1	785972711	CKOVNXFNOXUNIC-FQEVSTJZSA-N	409.574	3.770	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc3c(c2)CCCN3C)c(-n2cc(Cl)cn2)n1	786731661	DSKQYRLVTKMYMI-UHFFFAOYSA-N	424.936	3.611	10	20	HHCD	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788937950	PYBAKBJRONINAL-HTAPYJJXSA-N	409.505	3.652	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CC[C@H](c2cccc(F)c2)C1	792836238	VOHKTTGWTQOYCP-AZUAARDMSA-N	415.484	3.937	10	20	HHCD	
C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1cc2c(cc1O)CCCC2	794829358	RDPKUFJBBMYVQM-BUXKBTBVSA-N	403.320	3.911	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2csc3ccccc23)cc1	795301232	FBLCQTVRMIPDEP-UHFFFAOYSA-N	410.542	3.854	10	20	HHCD	
CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1	799636344	MUPGZGKDGRSIGY-UHFFFAOYSA-N	423.466	3.591	10	20	HHCD	
Cc1noc(CCCNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1	799916477	JABLURXKLFMMFH-AWEZNQCLSA-N	405.930	3.700	10	20	HHCD	
Cc1sc(=O)n(CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1C	800048353	ZBKCVTVDFCKSBT-CYBMUJFWSA-N	407.967	3.733	10	20	HHCD	
CC(=O)N[C@H](C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C1CCCC1	800048486	CPUMXIYFTQTVOV-BTYIYWSLSA-N	405.970	3.887	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(N2CCCS2(=O)=O)cc1C	801548359	SZELHZCCSAVPGC-UHFFFAOYSA-N	416.543	3.683	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](C)CS(=O)(=O)c1ccc(OC)cc1	801552124	ZCIXNRTZSGLMCV-QGZVFWFLSA-N	419.543	3.640	10	20	HHCD	
CN1CCN(C(=O)c2ccc(NCc3ccc(N(C)C)cc3C(F)(F)F)cc2)CC1	802761011	ISUVUKHKFQVZME-UHFFFAOYSA-N	420.479	3.771	10	20	HHCD	
CC(C)C[C@H]1CCCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	803306382	SXYMCBPLESJUQQ-SIKLNZKXSA-N	415.578	3.518	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1F	803663865	COFWDVYOMCSRJH-OAQYLSRUSA-N	409.505	3.577	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21	803842890	WNWGYFDQSHAIIT-GOSISDBHSA-N	417.962	3.718	10	20	HHCD	
O=C(NCc1cccc(N2CCOC2=O)c1)NCc1cc(Cl)cc(Cl)c1O	806505625	STTSOJWWDPJLIN-UHFFFAOYSA-N	410.257	3.655	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1F	806642609	KQHYADXCLHCITI-UHFFFAOYSA-N	405.445	3.910	10	20	HHCD	
O=C(NCc1ccc(C(F)F)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	807174689	AVYMTGQOGVYAPV-UHFFFAOYSA-N	414.408	3.768	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H](c1ccccc1)N1CCC(O)CC1	807841058	QMSGWJRCDQVNTE-SFHVURJKSA-N	409.313	3.513	10	20	HHCD	
CCN(C[C@@H](C)OC)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	813320742	XQLYMAWMDJKMMJ-LKKYZFDUSA-N	412.602	3.613	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCCCc1ccncc1)c2[N+](=O)[O-]	821728135	RPVKSZVAHIREHA-UHFFFAOYSA-N	416.389	3.555	10	20	HHCD	
CCOC1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	918662887	YNLSIAFXKWNGIR-DTQAZKPQSA-N	424.613	3.757	10	20	HHCD	
Cc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)ccc1N1CCNC1=O	919695084	PZKIAURODPBHFI-UHFFFAOYSA-N	416.525	3.905	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1-c1nccs1	920886717	PQMPGTISYOEOMM-INIZCTEOSA-N	410.543	3.878	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O[C@@H]2CCN(C3CCOCC3)C2=O)c1	1323461750	UNRHUAYGVPYBDK-HXUWFJFHSA-N	416.905	3.684	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)c1	1328597631	IGTZEVZBANCFSX-MRXNPFEDSA-N	408.951	3.644	10	20	HHCD	
COCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1	65463930	LAXFVJJZORFSJR-SFHVURJKSA-N	413.518	3.740	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCCS(=O)(=O)c2ccccc2)c1C	109260772	RDJGUAYSLDQMRH-UHFFFAOYSA-N	410.539	3.996	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2F)CC1	303302267	NAYXEPZMFKMHCG-INIZCTEOSA-N	419.928	3.705	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n(C)c2ccccc12	472241215	QCMRZBPUAGHUDZ-KRWDZBQOSA-N	410.562	3.667	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(F)cc2OCC(F)F)n(C)c2ccccc12	472801642	DJKCXUVXFRNXTP-UHFFFAOYSA-N	419.403	3.525	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1F	726249801	LHFSDKYTZISRFM-UHFFFAOYSA-N	416.472	3.591	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4C)ccc21	728475002	ICPFUBAKBRKXPD-INIZCTEOSA-N	419.525	3.914	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1	728978658	SBFZGJAAHCXHPD-MRXNPFEDSA-N	412.486	3.627	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1nc(C)cs1	730126758	SOAQVPJMZBLRMD-GOSISDBHSA-N	419.570	3.683	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccc(F)cc3F)cc2F)CC1	730132885	HYPWPEIPJZQCAX-UHFFFAOYSA-N	420.479	3.587	10	20	HHCD	
CS(=O)(=O)c1ccccc1NNC(=S)Nc1ccc(SC(F)F)cc1	731949843	PQPRBTKXNXRJRD-UHFFFAOYSA-N	403.501	3.718	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1	734687363	WKZZBACPFUKHAK-UHFFFAOYSA-N	404.505	3.613	10	20	HHCD	
O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1ccco1)Cc1ccccc1O	735926767	DKYGVHSZHVDMQR-UHFFFAOYSA-N	421.421	3.824	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(-c2cccnc2)no1	741084127	HXCGLOPIGZENTG-HXUWFJFHSA-N	418.501	3.704	10	20	HHCD	
O=C1C[C@H](Cc2ccc(C(=O)Nc3cccc(N4CCCCCC4)c3)cc2)C(=O)N1	743496001	ADKYWJSMFXJCRG-IBGZPJMESA-N	405.498	3.525	10	20	HHCD	
CCn1nc(C)c(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	743593260	ZYSOJKJIGKKWLH-INIZCTEOSA-N	421.492	3.589	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC(=O)Nc1ccccc1	743873255	LWVVLPCOKFAXIM-CYBMUJFWSA-N	420.307	3.713	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(N2CCOC2=O)c1	745728750	JXLKAAFTFAETHP-UHFFFAOYSA-N	410.518	3.829	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(Br)c1	746046634	CLKLKLRZFYYYOM-HNNXBMFYSA-N	423.376	3.535	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccnn2[C@H](C)CC(C)C)cc1F	746395715	XAVWFOQVKSTJBJ-MRXNPFEDSA-N	417.529	3.730	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2CC[C@@](C)(O)C2)sc(C)c1-c1ccccc1	748833991	WVVXLFCDSFYCAB-JOCHJYFZSA-N	416.543	3.686	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1	750330462	DZITYOIPCPJPKT-HXUWFJFHSA-N	410.562	3.819	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C(F)(F)F)c1F	751021899	SWBBFIWNYSDLMS-UHFFFAOYSA-N	410.411	3.983	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@H]1CCC[C@H](C(F)(F)F)C1	752362914	PRWRAMHWLMFXCM-HOCLYGCPSA-N	417.447	3.830	10	20	HHCD	
CC[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nc(C)cs1	754325962	TWNUTHKXGGCJPE-QGZVFWFLSA-N	419.506	3.906	10	20	HHCD	
CC(C)C(=O)NCCCN[C@H](C)c1cc(Br)cc(Br)c1O	756769039	IIDNYYPKAUOWOS-SNVBAGLBSA-N	422.161	3.730	10	20	HHCD	
C[C@H](NCc1cc(Br)cc(Br)c1O)C(=O)OC1CCCC1	763286200	BIYNVKUCOKZHTB-VIFPVBQESA-N	421.129	3.881	10	20	HHCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(S(C)(=O)=O)c(F)c1	765082383	VYAOAUJRPNXSQB-HNNXBMFYSA-N	408.564	3.633	10	20	HHCD	
Cc1ccc(-c2nc(C(=O)NCc3cccc(Br)c3O)cs2)n1C	765726301	FRZUCEQSLCJPLF-UHFFFAOYSA-N	406.305	3.855	10	20	HHCD	
Cc1cc(C(=O)N(C)CCNC(=O)C(C)C)c(C)n1-c1ccccc1Br	768022237	VONGQEVTHXBAOQ-UHFFFAOYSA-N	420.351	3.701	10	20	HHCD	
COc1ccc(-c2noc([C@@H](C)N3CCN(c4ccc(OC)c(F)c4)CC3)n2)cc1	768529627	AHVMLGKDMPEJFI-OAHLLOKOSA-N	412.465	3.776	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCOc1ccc(OC)cc1	769291121	KCXZSGVBGSANLC-UHFFFAOYSA-N	408.292	3.981	10	20	HHCD	
CN(Cc1ccc([S@@](C)=O)cc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	769506583	YJVJYYJAEXXANB-MUUNZHRXSA-N	401.532	3.955	10	20	HHCD	
COc1cc(Br)cc(CNc2cc(CN3CCOCC3)ccc2C)c1O	770427590	BJYWSTSJMORXFK-UHFFFAOYSA-N	421.335	3.916	10	20	HHCD	
COc1ccc(-n2nc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2C)cc1	770826607	JUOQTAYGPWYDHG-OAQYLSRUSA-N	421.497	3.716	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	771984043	BGSCEEMTQDXXJN-MJGOQNOKSA-N	414.550	3.650	10	20	HHCD	
O=C(Nc1ccnn1Cc1ccccn1)N(Cc1ccco1)Cc1ccccc1O	772433576	QOOQABFAHPMUIM-UHFFFAOYSA-N	403.442	3.859	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2ccccc2c(Cl)n1	772764956	IUOSBASJESAEPF-UHFFFAOYSA-N	413.880	3.918	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCc2c(Cl)cccc21	775765395	NVDKBYMSLWKVDT-SFHVURJKSA-N	402.897	3.786	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3nccn4ccnc34)c2C)c1	777094862	AQOGAMFUNNDXBE-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2scnc2Br)cc1	777856285	YUMXSJWYWBWOJA-OAHLLOKOSA-N	424.364	3.793	10	20	HHCD	
COCc1ccccc1S(=O)(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1	778661907	RZWXOVMKCNGLRT-UHFFFAOYSA-N	420.512	3.775	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]nc1-c1cc2ccccc2o1	780275410	WCTJVGURTPITHU-UHFFFAOYSA-N	416.481	3.932	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cnc(-c3ccccc3)nc2)cc1	784109249	SUCIHBBAGVXRPA-UHFFFAOYSA-N	415.497	3.888	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1	785295107	RJTGFWQKSXDCMN-CQSZACIVSA-N	424.428	3.715	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1c[nH]cc1-c1ccccc1F	787194974	XMUYWXJXKPVESW-UHFFFAOYSA-N	409.461	3.702	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC(c2ncc3n2CCCC3)CC1	789089574	DIGJICIKKLSPLE-UHFFFAOYSA-N	405.593	3.747	10	20	HHCD	
CCOc1cccc(CN(CC(=O)OC)Cc2cccc(Br)c2)c1O	789593747	ANVITCHRDZSYKK-UHFFFAOYSA-N	408.292	3.729	10	20	HHCD	
Cc1sc(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1C(C)C	789965416	DZBYSGNEQNDPDR-UHFFFAOYSA-N	405.539	3.534	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccc(F)c(F)c1	791250398	QDAHUDJUXYZJMH-UHFFFAOYSA-N	404.457	3.896	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H](C)c2nc(Cc3ccccc3)no2)c1O	792178732	FSGYSZXNLMQVJL-LBPRGKRZSA-N	418.291	3.988	10	20	HHCD	
COCCN(Cc1ccc(Cl)cc1-n1cncn1)c1ccc(OC)c(OC)c1	796448979	LIVYCBANGQZLDB-UHFFFAOYSA-N	402.882	3.591	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2oc(C(=O)OC)cc2c1	802609990	PLURYXVDYBYREA-UHFFFAOYSA-N	424.453	3.692	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2cccc(F)c2)C2CC2)cc1F	804850239	CFCMDXXJZBGLAK-UHFFFAOYSA-N	415.484	3.618	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1	807833813	GBFTUNCZYOGLHG-HNNXBMFYSA-N	421.324	3.797	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)cc1	807895756	NPPAHEQFKCRJTP-LJQANCHMSA-N	405.498	3.834	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1O	809727284	VPUXGWAMJBIHPR-DZGCQCFKSA-N	408.842	3.916	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@H](O)c2ccc(Cl)c(Cl)c2)c1O	809754821	DWBFQDOFKMSMEG-HNNXBMFYSA-N	401.246	3.829	10	20	HHCD	
CCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccccc1O	812025776	FFUQPNSLGHLFLK-UHFFFAOYSA-N	417.307	3.982	10	20	HHCD	
C[C@H](NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1)c1ccc(N2CCOCC2)cc1	812484159	WGDWBLOUKSQODC-MOPGFXCFSA-N	408.546	3.646	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1	914577160	KZECDWZNBGYLLY-UHFFFAOYSA-N	408.476	3.775	10	20	HHCD	
CCC(=O)N[C@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	914673965	JEZTWHZJZRHKIZ-GFCCVEGCSA-N	408.857	3.527	10	20	HHCD	
CN(C)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	916632576	ZWBFZBYNBPOJJN-UHFFFAOYSA-N	422.451	3.930	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2cccc(CN3CCOC3=O)c2)C2CC2)cc1	918034395	JUPKYMGFSBHZHU-UHFFFAOYSA-N	408.502	3.901	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1	918201754	MJFHRLTXGHSKHO-UHFFFAOYSA-N	408.546	3.768	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)n[nH]2)o1	918633267	KSYVENVRFVVMGT-GJZGRUSLSA-N	412.465	3.661	10	20	HHCD	
CC(C)(CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1	920046831	KWHXWMNRQMETKN-UHFFFAOYSA-N	413.537	3.954	10	20	HHCD	
CCOc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1	920179847	DDDOHGSIQPFVPJ-UHFFFAOYSA-N	421.520	3.631	10	20	HHCD	
CCCCC[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1	1845502322	LDBJKKKLJNDNOC-AWEZNQCLSA-N	408.926	3.785	10	20	HHCD	
CCCCCCn1nc(C(=O)NCc2ccc(N(C)C)cc2)c2ccccc2c1=O	15134791	ZBKKEEQWBRTTMC-UHFFFAOYSA-N	406.530	3.973	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1I	27579052	JQONPYICABNCON-UHFFFAOYSA-N	422.266	3.691	10	20	HHCD	
COc1ccc(NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl	302833538	OHMHBRKSPSOEIV-KRWDZBQOSA-N	404.894	3.674	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1-c1ccccc1	302958437	FYXGUKKRVUKYEU-UHFFFAOYSA-N	418.541	3.573	10	20	HHCD	
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C2)c1	437003552	BOLJMFHFOGAZKF-GOSISDBHSA-N	422.529	3.731	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N2CC[C@@H](CSc3ccccc3)C2)n(C)c2ccccc12	516207272	YVHDGTOOIUMDLQ-GOSISDBHSA-N	421.566	3.744	10	20	HHCD	
Cc1cc(C(=O)NCCCn2ccnc2)c(C)n1-c1cccc(Br)c1	725879285	ZXPCOZDURHGALH-UHFFFAOYSA-N	401.308	3.873	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	726503070	FIDXECHZNQTJAE-IRXDYDNUSA-N	422.504	3.863	10	20	HHCD	
O=[N+]([O-])c1c(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc2ccccn12	726595179	YFMIQFZTYASULL-UHFFFAOYSA-N	403.389	3.925	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCN(c3ccccc3F)CC2)c1O	728194664	SEFSPFUCISAFJR-UHFFFAOYSA-N	406.457	3.790	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1	729036784	RISPMJRPSKRICV-CQSZACIVSA-N	418.515	4.000	10	20	HHCD	
CC[C@H](CC(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)C	729759443	DEVQOTKIWSDTGX-ZHALLVOQSA-N	422.541	3.671	10	20	HHCD	
CCOc1cc(C)ccc1NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	730134854	NNQSPTADKAWBNV-UHFFFAOYSA-N	414.525	3.996	10	20	HHCD	
CCCO[C@@H]1CCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	731117041	MYOHILIJXKAOIR-CMKODMSKSA-N	421.557	3.930	10	20	HHCD	
COC(=O)c1ccc(OCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	731283393	DDCXFDKTKBAZJB-UHFFFAOYSA-N	424.453	3.563	10	20	HHCD	
CCCCN(CCOC)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	731756490	LVOAGWWXSJBNDW-UHFFFAOYSA-N	417.472	3.500	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1Br	732882425	SYDJPDFDBKABMN-UHFFFAOYSA-N	420.307	3.616	10	20	HHCD	
C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCOCC2)cc1	735435115	NCOAKUXBKHOBIK-AWEZNQCLSA-N	403.866	3.505	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3nccn3C)CC2)c(C)n1-c1cccc(C(C)C)c1	740707144	ZJTOGLXFFBGBJR-UHFFFAOYSA-N	405.546	3.913	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C[C@@H]4CCCO4)CC3)c2C)cc1C	740942471	GIODJHVNCPAGLN-QHCPKHFHSA-N	409.574	3.690	10	20	HHCD	
COc1ccc(NC(=S)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	743015624	LUZDXVPFTKHBSW-AWEZNQCLSA-N	408.474	3.647	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(NC(=O)N(C)C)c1	743809177	MZPVJQAYAQHORB-UHFFFAOYSA-N	420.307	3.911	10	20	HHCD	
C[C@@H](CSCc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	746205897	HSAWKKFBUPVOKO-KRWDZBQOSA-N	416.562	3.973	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3c(F)c(F)cc(F)c3F)cc2F)C[C@H](C)O1	748524160	HLHFSAZUFGMMEX-QWRGUYRKSA-N	414.374	3.926	10	20	HHCD	
CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C12CCCCC2	748625026	KGWSOXLIZAWVRT-VXKWHMMOSA-N	415.578	3.793	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)cc1	749400360	ZFUVECYLDKYZML-BGYRXZFFSA-N	408.590	3.725	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1(CC)CC	749554742	JOMRUINTDYOHRG-FCHUYYIVSA-N	417.594	3.678	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc23)cc1	751145886	KSRBFTVWSFAOCZ-UHFFFAOYSA-N	416.933	3.727	10	20	HHCD	
C[C@H](N[C@H]1CCN(C2CC2)C1)c1cc(Br)cc(Br)c1O	756531861	AJDVCKAYEKSTFN-ONGXEEELSA-N	404.146	3.805	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1	757550938	HFGOUPUYZODRBV-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@@H](C)c3ccccc3F)CC2)cc(OC)c1OC	759243410	WXCIDRRJXADGHB-MRXNPFEDSA-N	416.493	3.694	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCc4c([nH]c5ccccc45)C3)CC2)cc1	759369171	QRLHLERDSOMJNZ-UHFFFAOYSA-N	404.514	3.913	10	20	HHCD	
Cc1cc(C)n(-c2ccccc2CNC(=O)NCc2ccc(N3CC=CC3)cc2)n1	760776407	KKFSXPISIQJYEA-UHFFFAOYSA-N	401.514	3.865	10	20	HHCD	
O=C(N[C@H]1COc2ccc(Cl)cc21)N(Cc1ccccc1O)C[C@H]1CCCO1	762359719	YIPFUYYLXUAJFF-AEFFLSMTSA-N	402.878	3.870	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2F)C[C@@H](C)O1	763423995	ASKQSXYCKVUOOM-VXGBXAGGSA-N	423.391	3.556	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1	763583103	ORTIVOHGJJVFNO-QWHCGFSZSA-N	407.873	3.832	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](S(C)(=O)=O)C3)c2C)c1	763916292	FYGJKEUVXHQYLR-LJQANCHMSA-N	420.600	3.508	10	20	HHCD	
Cc1nc2ccccc2n1CCCNC(=O)NCc1cccc(Br)c1O	764761474	AKSZIWOVIAYNPD-UHFFFAOYSA-N	417.307	3.702	10	20	HHCD	
COC(=O)c1cc(Cl)cc(NC(=O)NCc2cccc(Br)c2O)c1	765292940	FMBHWUIXOYVFAO-UHFFFAOYSA-N	413.655	3.916	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc4[nH]ccc4c3)cc2F)C[C@@H](C)O1	768161364	HNKVPVZDOWMJBJ-IYBDPMFKSA-N	411.477	3.616	10	20	HHCD	
CCOc1c(CN(C)Cc2ccc(N3CCOCC3)cc2)c(C)nn1CC(C)C	768206079	HVVPFGNCZGYYRO-UHFFFAOYSA-N	400.567	3.715	10	20	HHCD	
COc1cc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1C	768916467	RCBMHYJAFSEMOO-IBGZPJMESA-N	402.922	3.686	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnn1C1CCCC1	771059371	PNYZINOMMYXMRK-KRWDZBQOSA-N	402.926	3.752	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCSC[C@@H]3c3nccs3)CC2)cc1	771317571	SGNARLLETSJCPS-GOSISDBHSA-N	418.588	3.620	10	20	HHCD	
CC(C)(C)OCc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1	771416021	BWMKQJSRANHOFG-MRXNPFEDSA-N	421.925	3.743	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1nc(-c2cccc(C(F)(F)F)c2)no1	772776246	PCZKXHQQMCDGPR-FNORWQNLSA-N	406.316	3.923	10	20	HHCD	
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	772996837	SQYJESBICZMBPG-KKSFZXQISA-N	414.525	3.737	10	20	HHCD	
CCN(C)c1ccc(CN2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1	773836179	FUUMWVFQLFXIHG-UHFFFAOYSA-N	408.506	3.640	10	20	HHCD	
CC1(C)CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCS1(=O)=O	773952373	CBGUMKUIIYNHFC-UHFFFAOYSA-N	414.531	3.940	10	20	HHCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CCN1C(=O)OC(C)(C)C	775048328	REWFGLGORPSAKG-WMZOPIPTSA-N	407.530	3.540	10	20	HHCD	
CC[C@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1cc(Cl)ccc1O	775500853	LTZAIPMZQZVBCB-FQEVSTJZSA-N	401.938	3.955	10	20	HHCD	
CC(C)(C)c1cc(CN[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(O)c(C(C)(C)C)c1	776497254	DCWLXHHCDAMFAB-FDDCHVKYSA-N	423.619	3.813	10	20	HHCD	
CCN(Cc1cc(Br)cc(Br)c1O)C[C@@H](O)C(F)(F)F	779192303	JRWSSJCJFQGYCJ-SNVBAGLBSA-N	421.051	3.662	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N=c1cc[nH]cc1Br	780620868	WHYDSEWAYQNSJR-UHFFFAOYSA-N	403.324	3.920	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)c1	780985619	SSFMSROFWFHFOJ-HSZRJFAPSA-N	407.466	3.720	10	20	HHCD	
CCOc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782424092	ZEGDLOOAGXZFRC-UHFFFAOYSA-N	421.497	3.912	10	20	HHCD	
COc1cc(/C=C(/C(=O)OCC(=O)c2ccc(O)c(O)c2)c2ccccc2)ccc1O	782942104	LYERUHGUKPJKET-WOJGMQOQSA-N	420.417	3.779	10	20	HHCD	
CCc1cccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)c1	785193281	WCWLHFSOYFAKJZ-UHFFFAOYSA-N	405.292	3.704	10	20	HHCD	
CC[C@@H](CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1	785386044	HSDKQODNPBYABR-SFHVURJKSA-N	406.482	3.824	10	20	HHCD	
COc1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	786761729	QJBNVMYLRZNHFQ-SFHVURJKSA-N	409.530	3.521	10	20	HHCD	
CCCOc1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	787208739	MNJLBSFKKLZBTK-UHFFFAOYSA-N	422.481	3.619	10	20	HHCD	
COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	789063466	SZVIBWWJAFPROZ-MRXNPFEDSA-N	415.509	3.515	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(-n4cccn4)cc3C)CC2)cc1	789345791	ASNQQDGGPRMJMJ-UHFFFAOYSA-N	405.502	3.980	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CSCc1ccccn1	791251062	XRIXGMAJYFBGKD-UHFFFAOYSA-N	415.559	3.703	10	20	HHCD	
Cc1nc2c(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cccc2o1	791525724	UDDMNASCIQRSGF-UHFFFAOYSA-N	419.403	3.922	10	20	HHCD	
C[C@@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1cc(F)cc(F)c1O	798941131	UFTHOVAZPWNKBV-SNVBAGLBSA-N	414.250	3.838	10	20	HHCD	
Cc1cncc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1	800636110	FETAHUPCHVEQMW-AWEZNQCLSA-N	400.910	3.535	10	20	HHCD	
C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccsc1	801018078	PENGWUBCEVDQAB-LLVKDONJSA-N	406.419	3.923	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	801596910	TVDSQKQCOHOWQV-HNNXBMFYSA-N	401.463	3.938	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccn1	804705041	RAKJPBONOPWVTP-FQEVSTJZSA-N	407.470	3.567	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)N(C)Cc2nncn2C)c(C)n1-c1ccc(OC(F)F)cc1	805823970	RQYKRLOFGBBRIO-OAHLLOKOSA-N	417.460	3.527	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837680	ADFBICUVWBQVHI-DEYRLNKFSA-N	403.331	3.573	10	20	HHCD	
COc1ccc(NCc2cc(Cl)cc(F)c2O)cc1S(=O)(=O)N1CCCC1	809684567	HDGCHUUDQGXKOO-UHFFFAOYSA-N	414.886	3.590	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2[N+](=O)[O-])SC1=S	811626485	JTRRNCUOZKDOLY-BJMVGYQFSA-N	421.283	3.968	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-c2ncco2)c1C	815370625	RAOZRAYIYOQXCN-UHFFFAOYSA-N	406.486	3.703	10	20	HHCD	
O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2	824026310	NQVSZUYDNBTZIY-OACXHEQCSA-N	400.504	3.796	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(O)nc2ccccc12	857472081	GJEWUSUMEAMNDN-INIZCTEOSA-N	411.889	3.694	10	20	HHCD	
CN(C)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cccc(F)c1	915900937	LXSMUTQPKDARII-LEWJYISDSA-N	415.509	3.525	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1	916214729	UMWRLAGNLSUQRA-DEOSSOPVSA-N	424.589	3.748	10	20	HHCD	
O=C(NCc1ccnc(N2CCCCC2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	916254830	PMVOFPJDTNMSSQ-OAQYLSRUSA-N	424.545	3.668	10	20	HHCD	
Cc1cc(N(C)C)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	918293891	HKMDGTCZIUENPK-UHFFFAOYSA-N	407.470	3.527	10	20	HHCD	
COc1cccc(CN2CCC(NC(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)c1	918355973	XPKXNMFTVMOJPB-UHFFFAOYSA-N	418.541	3.892	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1	918429246	HAVYJYJJLMNGMO-UHFFFAOYSA-N	416.525	3.774	10	20	HHCD	
CCOc1ccc(NC(=O)CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	920414530	WMJMGOSRSISMED-UHFFFAOYSA-N	412.490	3.712	10	20	HHCD	
CCN(CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(OC)c(OC)c1	921061550	GTHUCVUNSCBIMQ-UHFFFAOYSA-N	420.893	3.984	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1	1317785681	SMPDSYCEGSLUHU-KRWDZBQOSA-N	406.935	3.539	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1	1321122987	JJUMOGZEYBESFJ-JXFKEZNVSA-N	413.514	3.690	10	20	HHCD	
Cc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1	1800716373	GFWGKYPZHNXMJL-MUJYYYPQSA-N	414.889	3.625	10	20	HHCD	
CCC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)CCC1	1800718002	GFXTZVXLPIUHDB-QDMKHBRRSA-N	406.910	3.583	10	20	HHCD	
CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1ncc(-c2ccccc2)n1C	7210653	UNKZTSWZGZBHAB-SFHVURJKSA-N	423.538	3.868	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N[C@H](c3ccccc3)C3CC3)sc2n1	28775812	GCWOOPMQDCBYHZ-LJQANCHMSA-N	409.511	3.920	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OCC(F)(F)F)cc1	55523714	JOSWKSYAFNUVJP-UHFFFAOYSA-N	412.383	3.533	10	20	HHCD	
Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)n(-c2ccccc2C)n1	486396189	HQSAZGVAKYKVJD-UHFFFAOYSA-N	416.506	3.958	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)CCN4C(N)=O)ccc21	512207172	OCIFIQGNFUPCDW-UHFFFAOYSA-N	406.486	3.598	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N2CC[C@H](CSc3ccccc3)C2)n(C)c2ccccc12	516207274	YVHDGTOOIUMDLQ-SFHVURJKSA-N	421.566	3.744	10	20	HHCD	
CC(C)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc3nsnc23)c1	523399533	XWYWRYZPMRSDBR-UHFFFAOYSA-N	424.935	3.626	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C\c3cccc4c3OCCO4)SC2=S)c1	726626087	WKHYFQPYCQPJKW-LICLKQGHSA-N	415.492	3.881	10	20	HHCD	
CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)s1	727244371	ZAOJAOFMLXYALU-UHFFFAOYSA-N	408.530	3.643	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cc(C)ccc2F)nc1-c1ccccc1	727249601	COHLHZICEOXHGJ-UHFFFAOYSA-N	420.487	3.774	10	20	HHCD	
Cn1cnc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1Cl	727249856	JMQRCUCJDGPAKS-UHFFFAOYSA-N	407.279	3.790	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1	727759828	BJTQEPGYXSXWFW-KRWDZBQOSA-N	411.527	3.575	10	20	HHCD	
CC(C)(NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1	728747094	YXFIFKDJIBWJMD-UHFFFAOYSA-N	403.473	3.660	10	20	HHCD	
Cc1ccc(-c2nc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)sc2C)s1	728979320	UEMRTROHXDWGRO-UHFFFAOYSA-N	423.541	3.818	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c1	729034837	ASYFWKWKOMXEQX-NSHDSACASA-N	403.866	3.829	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1	729174587	KYZXOLXENFCXQN-QGZVFWFLSA-N	420.550	3.881	10	20	HHCD	
COC(=O)CN(Cc1cccc(C(=O)NCC(C)C)c1)Cc1cc(Cl)ccc1O	731844496	DFSQOSXMMAHKRD-UHFFFAOYSA-N	418.921	3.607	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3c(C)nc4c(c(O)nn4C)c3C)c2C)c1	734235820	OJYUYSKJKAKGOS-UHFFFAOYSA-N	417.513	3.937	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(N2CCOC2=O)c1	740910147	OJHHYKBBMMLJFQ-QGZVFWFLSA-N	406.486	3.580	10	20	HHCD	
CC(C)C[C@@H]1CCCCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	741081172	MHFSCSVRRAUIHZ-UNMCSNQZSA-N	414.594	3.889	10	20	HHCD	
CC(C)Cn1ccc2cc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)ccc21	741097115	KXFNNQIYLKNKJG-UHFFFAOYSA-N	416.525	3.928	10	20	HHCD	
Cc1c(C(=O)N2CCN(Cc3cc4c(cc3O)OCO4)CC2)sc2ccccc12	741241397	VYSFYDYRGBLYSH-UHFFFAOYSA-N	410.495	3.602	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1	741417668	UXOUCZXYDWNBSO-UHFFFAOYSA-N	410.497	3.799	10	20	HHCD	
CCN(CC)CCS[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	742220513	PARMXBWTFBCXEY-OAHLLOKOSA-N	410.539	3.864	10	20	HHCD	
CC(=O)Nc1cccc(OCCNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	745800566	BUYRCBRSNDFWPY-UHFFFAOYSA-N	412.534	3.710	10	20	HHCD	
C[C@H](CCOc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	745989538	VCXPFLSKQGAQCL-QGZVFWFLSA-N	400.494	3.508	10	20	HHCD	
Nc1ccc(CC(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1	746327585	GTMBKLGGRXSUMF-UHFFFAOYSA-N	414.553	3.768	10	20	HHCD	
CCc1cnc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	747495245	HXSKHRJICQBEGD-GASCZTMLSA-N	420.554	3.800	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)CC[C@@H](C)c3ccccc3)CC2)cc1	749637820	AKEXMNYUNWGIBT-OAQYLSRUSA-N	409.574	3.907	10	20	HHCD	
Cc1ccc2ncccc2c1S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	751136394	IHYYGXQTOFAENS-SFHVURJKSA-N	412.511	3.619	10	20	HHCD	
COc1ccc(N2CCN(CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1F	753861334	RAKYSINDJMFREZ-UHFFFAOYSA-N	416.884	3.902	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(-c4nnc(C)o4)cc3)CC2)cc1F	753893734	DJRNRDVPFFZTLQ-UHFFFAOYSA-N	411.437	3.547	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)ccc21	754993606	FAKQNXDHIKNBLG-UHFFFAOYSA-N	422.254	3.809	10	20	HHCD	
COC(=O)COc1cccc(CN[C@@H](C)c2cc(Br)cc(F)c2O)c1	756710280	CJBDYJJHMILBSV-NSHDSACASA-N	412.255	3.696	10	20	HHCD	
COC(=O)c1sc2cccc(F)c2c1COC(=O)/C=C\c1ccc(O)c(O)c1	759588213	JNHBNWDIOPLILN-VURMDHGXSA-N	402.399	3.995	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	759596931	WTHYYNJXRWNCKZ-MOESHBJCSA-N	408.237	3.767	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(-c2csnn2)cc1	765260823	VZBPSUDIADJUOB-UHFFFAOYSA-N	405.277	3.995	10	20	HHCD	
Cc1ccc(-n2nnc([C@H](C)NCc3ccc(N4CCC(CO)CC4)cc3)c2C)cc1	765288598	YFHWGPCTULUNHZ-IBGZPJMESA-N	419.573	3.944	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(OC(F)F)cc1	765978686	FJGUEZUVVWJPJD-HXUWFJFHSA-N	424.513	3.764	10	20	HHCD	
CC(C)NC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1	767384089	ZPODCKWKSZTFFG-UHFFFAOYSA-N	423.561	3.999	10	20	HHCD	
Cc1ccc(O)c(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1	768790302	CXBWMFWJHPMOFA-AWEZNQCLSA-N	404.308	3.709	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)C2=Cc3ccccc3OCC2)cc1F	772655488	HYEGSDJOSHVRDY-UHFFFAOYSA-N	404.507	3.915	10	20	HHCD	
CC(C)C[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	774813341	CANZTYGMSLTYJY-JOCHJYFZSA-N	413.537	3.656	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1)c1ccc(OC)cc1	775198522	QFWCUSCOJLZAFM-QFIPXVFZSA-N	411.546	3.767	10	20	HHCD	
C[C@H](CS(=O)(=O)c1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	775625626	CDNMCZZRQMQUEB-MRXNPFEDSA-N	424.513	3.709	10	20	HHCD	
CCCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)Nc1cccc(N2CCCC2)c1	776344688	XEURQDAOVIPCHI-IBGZPJMESA-N	411.502	3.625	10	20	HHCD	
O=C(NC[C@H]1COC2(CCCCCC2)O1)N(Cc1ccccc1O)C[C@@H]1CCCO1	777764695	SNXLSBGKSVZVSJ-PMACEKPBSA-N	418.534	3.549	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1	780313726	RULHYERHPSRAGH-LLVKDONJSA-N	412.389	3.812	10	20	HHCD	
Cc1nc(Cn2nnc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c2C)no1	780374086	JWPLTUKCXVVSKD-UHFFFAOYSA-N	402.418	3.994	10	20	HHCD	
CC(C)[C@H](COCc1ccccc1)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	783223476	PEQSAUSLRLFDEZ-UPVQGACJSA-N	409.574	3.719	10	20	HHCD	
CCNC(=O)Nc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1	784109523	VQCJLDRRTJMRJK-UHFFFAOYSA-N	423.517	3.572	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc2[nH]ccc2c1	785192473	MPNXIGZMECFPIW-UHFFFAOYSA-N	416.275	3.623	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1	785293980	IMNKKXLVVJHIKF-CQSZACIVSA-N	414.527	3.818	10	20	HHCD	
COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(Br)c1OC	785754751	ODSOYGYISFSHJK-UHFFFAOYSA-N	407.308	3.805	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	788520602	IELLXJMXJWSCGG-IRFCIJBXSA-N	411.498	3.721	10	20	HHCD	
CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1c(O)ccc(Cl)c1F	790983012	ZLNGATBVKXSWMD-UHFFFAOYSA-N	408.278	3.874	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc(-n4ccnc4)cc3C)CC2)cc(OC)c1OC	792286001	FWLLNMMYWMNGMJ-UHFFFAOYSA-N	422.529	3.529	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccnn3C(C)(C)C)cc2F)C[C@H](C)O1	792388810	NLLZWPYPIGFWGF-GJZGRUSLSA-N	403.502	3.713	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1	793607936	GAEYPBOJORQEIY-FCHUYYIVSA-N	410.514	3.557	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)n2)cc1	799636103	FYIQFEPRINMPET-UHFFFAOYSA-N	415.540	3.875	10	20	HHCD	
COCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	802507415	FXWPJHDEBHOPOT-UHFFFAOYSA-N	408.550	3.557	10	20	HHCD	
O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	802839267	IGNTVJPDCCFFLD-MJGOQNOKSA-N	409.404	3.652	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CC(C)(C)c3ccccc32)C2CC2)cc1	806649206	ZQACVHGMVHSITN-JOCHJYFZSA-N	405.542	3.782	10	20	HHCD	
COc1cc(O)c(CN(CCn2ccnc2)Cc2cccc(Cl)c2)cc1OC	809753353	SJWMRWWWYZERHY-UHFFFAOYSA-N	401.894	3.962	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2cccs2)c(C)n1-c1ccccc1	812861842	IYCHKMHMAXTXDQ-HNNXBMFYSA-N	410.495	3.700	10	20	HHCD	
C[C@H](NC(=O)[C@@H](C)[C@H]1OCCc2sccc21)c1ccc(N2CCOCC2)cc1	814112785	BQFAGZPQTBRVCR-CKJXQJPGSA-N	400.544	3.712	10	20	HHCD	
Cc1cc(CN2CCN(C(=O)c3ccccc3OC(F)F)CC2)ccc1N(C)C	815008815	OYJPGLBWKOQEIC-UHFFFAOYSA-N	403.473	3.620	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccnc(OC4CCCCC4)c3)CC2)cc1F	857464301	AXDHUCCXOUZSMI-UHFFFAOYSA-N	413.493	3.903	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	914613515	DKZGVTCHHNGNKF-UHFFFAOYSA-N	413.861	3.947	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Oc2ccccc2)nc1	916138250	CLWKUZUJNMJXNY-UHFFFAOYSA-N	403.482	3.983	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N1CCc2ccccc2C1	916604568	IHUGIIYJAHMZJY-WMZHIEFXSA-N	423.557	3.530	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)cc1	917916585	PYZJCEKBJXMJRR-UHFFFAOYSA-N	421.950	3.549	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)CC2)cc1	918029840	GPHMFVJHFDWTFI-UHFFFAOYSA-N	424.545	3.968	10	20	HHCD	
CCCC(=O)Nc1cccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	918067132	YVZDSGRXYKUWDF-UHFFFAOYSA-N	424.545	3.856	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)CCc3ccco3)cc2F)C[C@H](C)O1	918187148	WGPIZZHNCLJPCH-IKGGRYGDSA-N	403.498	3.853	10	20	HHCD	
CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4cc(C)oc4C)cs3)ccc21	918196570	WFDUZYKKRNXLGJ-UHFFFAOYSA-N	417.512	3.730	10	20	HHCD	
CCOc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	919968138	ATGNXUFFHWSBJE-UHFFFAOYSA-N	424.541	3.573	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(NCc3ccc(N4CCCC4)cc3)CC2)cc1	1116013379	VAVLOXUJGHTPGH-UHFFFAOYSA-N	413.587	3.538	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(C)nc4c3cnn4C(C)C)CC2)cc1	1319624872	BXBJFPMXWHPPDD-UHFFFAOYSA-N	407.518	3.682	10	20	HHCD	
C[C@H]1CN(c2ccc(NCc3ccc(N4CCN(C)CC4)c(F)c3)cc2)C[C@@H](C)O1	1321157050	GFSUDUCUHLGFPO-KDURUIRLSA-N	412.553	3.803	10	20	HHCD	
COc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cnn1-c1ccccc1	1321283750	PMFBPBNZHMGPMF-UHFFFAOYSA-N	423.428	3.909	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2n[nH]cc2Br)cc1	1518662190	VVHPJNDZYOSBGO-UHFFFAOYSA-N	403.280	3.674	10	20	HHCD	
CCc1cc(O)nc(-c2ccc(NC3CCN(c4ccc(OC)cc4)CC3)nc2)n1	301210822	UZBUCKHDQAYAGB-UHFFFAOYSA-N	405.502	3.896	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)n(C)c2ccccc12	472792001	VEMBUBAHBWMNBY-ROUUACIJSA-N	416.525	3.730	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cc(F)ccc2Br)n(C)c2ccccc12	472793596	VZOLROKCVSJHPK-UHFFFAOYSA-N	418.266	3.643	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2c(F)cccc2Br)n(C)c2ccccc12	472806630	INQHVCVIDLFFJW-UHFFFAOYSA-N	418.266	3.643	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(NC(N)=O)c(OC)c3)ccc21	475717779	BSBQDVFDLBXCPB-UHFFFAOYSA-N	410.474	3.656	10	20	HHCD	
Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)n(-c2ccccc2F)n1	520644905	XONDLYBPCKAJEV-UHFFFAOYSA-N	420.469	3.788	10	20	HHCD	
CC(=O)Nc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1F	726566441	YZPFZQCVFJOUFY-UHFFFAOYSA-N	421.419	3.784	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1SC	726627616	OZQXAGZBSAWPDA-MHWRWJLKSA-N	416.549	3.922	10	20	HHCD	
Cc1ccnc(NC(=O)CN(C)CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c1	728928288	OYUKTKJMKFDIQB-UHFFFAOYSA-N	408.477	3.690	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccccc3OC)cc2F)CC1	730193797	AGIGPGIVTOTUFM-SFHVURJKSA-N	413.537	3.786	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2cc(O)cs2)sc2c1CCCC2	731911527	KWUYGFPIBNQAPE-JTQLQIEISA-N	423.512	3.755	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1	734520153	FJHGRVKZNKQOEM-UHFFFAOYSA-N	416.516	3.803	10	20	HHCD	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	736653798	UIPJKSXCRGZYDU-QFBILLFUSA-N	415.484	3.889	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1	739757888	HDPARNRRZHMWNF-LJQANCHMSA-N	408.889	3.678	10	20	HHCD	
COc1cc(N(C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc(OC)c1OC	741799015	SEHJPNHBRCLUEG-INIZCTEOSA-N	412.530	3.905	10	20	HHCD	
COCCOC[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	742090666	IIJUNMXBQPIRJA-ZDUSSCGKSA-N	409.324	3.638	10	20	HHCD	
Cc1ccc(F)c(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1	743566018	KVMMTRXVBAOECF-UHFFFAOYSA-N	407.414	3.741	10	20	HHCD	
CC(C)N(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccc(N(C)C)cc1	743841659	QIWNDMNJSVPJJU-HSZRJFAPSA-N	413.537	3.702	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1	745847510	OMTLFDGVYLKARA-CXAGYDPISA-N	417.893	3.610	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(OCC2CC2)CC1	745903409	FSKBELQUAGHZDQ-QGZVFWFLSA-N	423.504	3.857	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1	748314742	PNXYGFCCJCVHEY-ZXFUBFMLSA-N	404.507	3.585	10	20	HHCD	
Cc1cc(C(=O)OCCCn2cnc3c(N)ncnc32)c(C)n1-c1ccc(Cl)cc1	748870823	XSBMDJZCOAFHFP-UHFFFAOYSA-N	424.892	3.717	10	20	HHCD	
C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405579	GXRDHPGSPOEQRR-INIZCTEOSA-N	402.535	3.831	10	20	HHCD	
Cc1ccc(-n2[nH]c(C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2=O)cc1	752088271	ZDDHYMCPWVUDMF-UHFFFAOYSA-N	403.438	3.615	10	20	HHCD	
Cc1noc(C2CC2)c1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	753483884	PKNYECUEUCKJIB-UHFFFAOYSA-N	417.377	3.796	10	20	HHCD	
COc1ccc(CN(C)C(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1OC	756322258	WDVFCTKGOHLGAZ-UHFFFAOYSA-N	424.497	3.663	10	20	HHCD	
COc1ccc(N2CCN(c3ncnc4cc(F)c(Br)cc34)CC2)cc1	762791593	ZHHVVLPXCLZJIV-UHFFFAOYSA-N	417.282	3.867	10	20	HHCD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	764414167	NRMPDFPMCCJGOW-BBRMVZONSA-N	406.477	3.907	10	20	HHCD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	765578689	IACNLLVIWZHEGF-QGZVFWFLSA-N	415.465	3.660	10	20	HHCD	
C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(N2CCCCC2)cc1	765733165	URACDATVZNBVLA-IBGZPJMESA-N	421.589	3.624	10	20	HHCD	
COc1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl	765940695	GKHKWQCTKBKLGX-UHFFFAOYSA-N	403.910	3.527	10	20	HHCD	
Cc1c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1CC(C)C	766529983	KJCMVLSFJGVNNA-HOTGVXAUSA-N	417.529	3.922	10	20	HHCD	
Cc1cccc(S(=O)(=O)CCCN(Cc2ccccc2O)C[C@H]2CCCO2)c1	766815605	WGAMUQZVNHLYMU-HXUWFJFHSA-N	403.544	3.546	10	20	HHCD	
C[C@H](NC(=O)Cc1cccc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	770161271	YMPOGZBMIRTJRF-INIZCTEOSA-N	422.447	3.884	10	20	HHCD	
COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1	770485941	MCOOJQSYTGZNGN-UHFFFAOYSA-N	422.437	3.685	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@@H](OC)c3ccc(F)cc3)CC2)cc1	770833055	UNRCVYNRZONJCX-VGOFRKELSA-N	415.509	3.832	10	20	HHCD	
CCOC(=O)c1sc2nc(CN(C)c3ccc(OC)c(F)c3)nc(N)c2c1C	772199595	LMTWLUPEANGOHS-UHFFFAOYSA-N	404.467	3.543	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(N(C)C)cc1	772410054	WJPUJDWHYLICAW-BQFCYCMXSA-N	404.555	3.901	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCCN1CCCC[C@H]1C	773741748	XFWOCEPIEFXTFB-QZTJIDSGSA-N	412.530	3.712	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1cc(Cl)c(Cl)cc1O	774253806	NPOHSSUEDFSWPZ-ZDUSSCGKSA-N	410.345	3.841	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1F	775056863	NQDGXWQIRPNIDR-UHFFFAOYSA-N	406.479	3.794	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3ccc(Cl)o3)cc2Cl)C1	775224819	DYRKWCWHUANHIH-CYBMUJFWSA-N	424.328	3.755	10	20	HHCD	
Cc1csc([C@@](O)(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C(F)(F)F)n1	775411916	RUHIKMVCGRCGTG-PXAZEXFGSA-N	401.454	3.535	10	20	HHCD	
CC[C@@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Br)ccc1O	775503137	BZBYVVFRZCMGIX-RHSMWYFYSA-N	418.335	3.573	10	20	HHCD	
O=C([C@@H](O)Cc1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	779019317	RBRRATWCTLBEFS-QUCCMNQESA-N	423.431	3.522	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(C(=O)N2CCc3ccccc32)c1	779511674	VSKJSGBEMQZYCL-LUAWRHEFSA-N	400.434	3.953	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1	780681608	OXJDAFUZAJKBOR-GJZGRUSLSA-N	407.511	3.551	10	20	HHCD	
Cn1ccnc1[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1	780763547	JPZYPVOHUWVJTE-OAQYLSRUSA-N	423.542	3.761	10	20	HHCD	
CC[C@@H]1C[C@@H](CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1	781604461	MAUBTGQFEMDOKO-MAUKXSAKSA-N	414.468	3.754	10	20	HHCD	
C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	781947281	NITXVBNBWLPWOZ-VGSWGCGISA-N	415.965	3.826	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccn(-c4ccc(F)cc4C)n3)CC2)cc1	783045477	GCCYILRDBKSPEH-UHFFFAOYSA-N	408.477	3.727	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1C(=O)N(C)C	784058917	BRHHKVOLBVTSNU-UHFFFAOYSA-N	422.529	3.583	10	20	HHCD	
C[C@@H]1[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCN1C(=O)OC(C)(C)C	787142496	WFRREUPTBONCGF-QRQLOZEOSA-N	418.534	3.545	10	20	HHCD	
COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)cc1C	788315675	NZJPEXARIORTMJ-QGZVFWFLSA-N	411.502	3.809	10	20	HHCD	
CCC[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3cc(OC)ccc3O)sc2C1	789465914	UCYOIKIHSRWYRV-CHWSQXEVSA-N	417.531	3.578	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3c(Cl)cccc3OC)CC2)cc1F	790545963	VTNSXXNGHYEZNV-UHFFFAOYSA-N	407.873	3.528	10	20	HHCD	
CC(C)COc1ccccc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	793737317	GXRNRHHREFVBCY-UHFFFAOYSA-N	423.557	3.595	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@](C)(O)c3ccco3)cc2Cl)C1	799994873	UKQALRSMQIAAHI-QVKFZJNVSA-N	405.926	3.876	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	800999065	QFIXIRDOLWPSDS-HSZRJFAPSA-N	416.566	3.733	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OC[C@H]3CCN(C(=O)c4ccccc4)C3)sc2n1	801213688	CETZSOKPGWUDJB-HNNXBMFYSA-N	409.511	3.814	10	20	HHCD	
CCCC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(OC)cc1	804595720	BHDGREPFGCKXCD-QHCPKHFHSA-N	421.541	3.735	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1	804682855	SLLMZTJSYOFEKL-MRXNPFEDSA-N	407.536	3.538	10	20	HHCD	
Cc1ccc(CN2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2=O)cc1	805344681	ZCMSSHHQFXNBOO-KRWDZBQOSA-N	422.312	3.608	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCCOC1CCC1	805389669	KVWBASSOEAQUQE-QINSGFPZSA-N	411.570	3.842	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C	807095022	IBEUPCLBZXPUBL-IBGZPJMESA-N	421.463	3.796	10	20	HHCD	
CC[C@H](CN(CC)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1	807292730	WLFCNKQOJQXSQW-OAQYLSRUSA-N	405.542	3.721	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-c2ccncc2)cc1	807767751	SLUOZYYMWMUFIJ-GOSISDBHSA-N	416.525	3.650	10	20	HHCD	
CCS(=O)(=O)N1CCC([C@@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	809785900	HBNNTKQUVVIVNO-LJQANCHMSA-N	407.624	3.559	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3cc(O)cc(C(F)(F)F)c3)cc2F)CC1	810143454	GWNWZWIWHQFZKQ-UHFFFAOYSA-N	411.443	3.982	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3cccc(Cl)c3F)cc2F)CC1	810361442	IUVMFUVRYVDZMM-UHFFFAOYSA-N	407.892	3.619	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@]1(COC)OCCc2ccccc21	812478165	OPVYKJDNMJZIRV-DEOSSOPVSA-N	412.530	3.819	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)CCC(=O)N2	916591617	AZRKZWLECVSFBJ-MRXNPFEDSA-N	424.570	3.685	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)N2CCCCC2)CC1	917393397	LZDHWPLHUJIVOP-UHFFFAOYSA-N	400.548	3.519	10	20	HHCD	
CCCCN(CC(N)=O)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	918134147	SNHMXUSJWOHBKV-UHFFFAOYSA-N	406.324	3.584	10	20	HHCD	
O=S(=O)(c1ccc(CNCc2ccc(N3CCCC3)cc2)cc1)N1CCCCC1	1318620409	BEHHVBSZNQELGE-UHFFFAOYSA-N	413.587	3.751	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2cn(C)nc2C)cc1	1318863755	WWMTZZDJGNZRCL-UHFFFAOYSA-N	406.530	3.969	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc4[nH]c(C(F)F)nc4c3)CC2)cc1	111137927	PDAIJSAPTXONLC-UHFFFAOYSA-N	400.429	3.908	10	20	HHCD	
CC(C)(C)Oc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	140178245	HACDCQLMEUXZBF-UHFFFAOYSA-N	415.509	3.839	10	20	HHCD	
Cc1cc(O)c(CNCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1C	237860998	SNSBHYABRXHDEQ-UHFFFAOYSA-N	408.589	3.577	10	20	HHCD	
CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	303166413	QIIUNCSUDGFGBK-IBGZPJMESA-N	411.546	3.871	10	20	HHCD	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	303325390	BPACFHUENJGBQT-UWJYYQICSA-N	400.494	3.732	10	20	HHCD	
Cc1c(CNC(=O)NCc2cc3c(cc2OC(F)F)OCO3)n(C)c2ccccc12	472079681	JBGFKPVRGOTXSI-UHFFFAOYSA-N	417.412	3.816	10	20	HHCD	
Cc1ccc(Br)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1	472812696	YSDGEVAZNDYSJV-UHFFFAOYSA-N	414.303	3.813	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)ccc21	483413554	VPNJMOIVCVZHMG-MRXNPFEDSA-N	411.468	3.519	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(-c4ccccc4C)c3C)CC2)cc1	726563365	IAOHGPSPHAUMDZ-UHFFFAOYSA-N	404.514	3.897	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1	726711681	HPZZODROFXEMIF-PKTZIBPZSA-N	409.530	3.585	10	20	HHCD	
COc1ccc(OC)c(NC(=S)NNc2ccc(Br)cc2F)c1	728447490	FINSYYLWHBRFLQ-UHFFFAOYSA-N	400.273	3.919	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccc(OCCN(C)C)cc3)cc2)CC1	731048374	KWXXXXOPUXONRB-UHFFFAOYSA-N	424.589	3.863	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1cccc(O)c1	733978567	FOAYDHFQEXQGMM-LFIBNONCSA-N	418.565	3.752	10	20	HHCD	
COc1ccc(CN2CC[C@H](NCc3cc(-c4ccccc4)ccc3O)C2=O)cc1	734509690	PAILRWHSFFRJQP-QHCPKHFHSA-N	402.494	3.959	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(-c4nccc(C)n4)c3)CC2)cc1	734652221	VKQJJPQCRGJIAR-UHFFFAOYSA-N	403.486	3.815	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C	734667693	MGFCXALLMJCGLA-IBGZPJMESA-N	408.506	3.703	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1O	734843050	DNTNFMYHMPTBOV-CZUORRHYSA-N	404.772	3.578	10	20	HHCD	
CCc1nc2cc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2o1	737111267	VQFFSLZVDUKVHA-UHFFFAOYSA-N	419.437	3.856	10	20	HHCD	
Cc1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F	742333937	AMPJMRVHTDCWJE-CQSZACIVSA-N	414.449	3.683	10	20	HHCD	
O=C(CCOc1ccccc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800916	MTUOEUMBOCXXBM-HNNXBMFYSA-N	408.420	3.981	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc([S@@](C)=O)c1	743152067	ZELMXOXJMVLJAZ-XMMPIXPASA-N	411.321	3.946	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2	743247788	MWJWNBKKJZEJFX-UHFFFAOYSA-N	408.502	3.696	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)Oc2cccc(Br)c2)c1	743699587	ISSVDNXSXKSRER-STQMWFEESA-N	423.307	3.991	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3[C@H]4CCCC[C@H]4C[C@H]3C)cc2F)C[C@@H](C)O1	743853666	BRHMKISNIBMIMG-WOWXTULXSA-N	417.569	3.709	10	20	HHCD	
CCC[C@@]1(C)CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	745691284	IURIFKRTYMKLGW-CVDCTZTESA-N	400.567	3.500	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2nccn3ccnc23)cc1	746244715	ZPPOJQFAQAVEDA-UHFFFAOYSA-N	401.470	3.651	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H]3CS(=O)(=O)c4ccccc43)c2C)c1	749394728	WGDFPAFVKBSVMF-NRFANRHFSA-N	408.523	3.969	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)c(F)c1F	750017383	UWJKPXNWWOLLNS-UHFFFAOYSA-N	418.337	3.889	10	20	HHCD	
COC(=O)c1cc(C(C)(C)NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)no1	753086145	FXPKNOLVGZYXOE-UHFFFAOYSA-N	411.458	3.542	10	20	HHCD	
C[C@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	755297414	LHWFVBHJLGJIKV-OAHLLOKOSA-N	401.473	3.816	10	20	HHCD	
COc1cccc(-c2noc(SCC(=O)NCCCSc3nccs3)n2)c1	755316220	LSWYUDXCWGMERD-UHFFFAOYSA-N	422.557	3.592	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1O	756454249	BSONXYLTBILCMH-CMPLNLGQSA-N	401.246	3.698	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c1	756802136	ABNCBHLAQULCSQ-GJZGRUSLSA-N	408.458	3.748	10	20	HHCD	
O=C(NC[C@H]1CCCCN1C(=O)NCCCSc1nccs1)c1ccccc1	759601442	JWKDAMSDVHIUOT-QGZVFWFLSA-N	418.588	3.619	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C	762761142	NGDSMPGHLOGYEA-YPAWHYETSA-N	417.594	3.955	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1	763585421	ZYSYHGFHJBUEDH-INIZCTEOSA-N	404.917	3.965	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@@](=O)C[C@@H](C)C2)c(C)n1-c1ccc(F)c(Cl)c1	763859619	XTXHPQFPOJGIRZ-JGTBNHKDSA-N	410.942	3.770	10	20	HHCD	
C[C@@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCCC2)cc1	765623765	NWXCHZQWEADPMX-CJAUYULYSA-N	420.557	3.972	10	20	HHCD	
C[C@@H](NCCCc1nnc2n1CCCCC2)c1ccc(N2CCOCC2)cc1Cl	765662174	QCWXSJNSBKPLHA-QGZVFWFLSA-N	417.985	3.778	10	20	HHCD	
Cc1nn(CC(=O)OC(C)C)c(C)c1CN(Cc1ccc(N(C)C)cc1)C(C)C	768353365	SKZGUPIWSBBDRU-UHFFFAOYSA-N	400.567	3.928	10	20	HHCD	
Cc1cc(C)n2nc(SCc3ccccc3C(=O)NCc3ccccc3O)nc2n1	769359924	JHJLYDFNBPILNY-UHFFFAOYSA-N	419.510	3.669	10	20	HHCD	
COCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1	769517410	SKCGSDMZEZTKMR-UHFFFAOYSA-N	418.496	3.653	10	20	HHCD	
CC(C)[C@H](C)N(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CC1	769731214	IFXVPCXCTZTRRR-ZDUSSCGKSA-N	408.545	3.904	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1F	770008983	ZTJQCJJRZAKELR-UHFFFAOYSA-N	408.817	3.750	10	20	HHCD	
CC[C@H](C)c1ccc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	772874979	IOEMSUMTHOSSSV-KRWDZBQOSA-N	400.494	3.871	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C(F)(F)F)c1	773844973	FNOQBHLYNIZRBG-CYBMUJFWSA-N	423.435	3.986	10	20	HHCD	
COc1ccc(O)c(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1	775678197	BFDYEDMKAIRLFJ-UHFFFAOYSA-N	413.518	3.981	10	20	HHCD	
CC[C@@H](C)n1nc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C	776043068	VYBXOLPTDOOWCJ-QGZVFWFLSA-N	411.550	3.750	10	20	HHCD	
COc1cccc2cc([C@@H](C)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)oc12	776159077	VSGIWBCJQUSCHJ-MRXNPFEDSA-N	414.527	3.527	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cc1	782189609	UHGASEUMDPYZSP-LFIBNONCSA-N	419.549	3.744	10	20	HHCD	
CCOc1ccc(OC)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784059364	JKQHRKWNJLLCPD-UHFFFAOYSA-N	411.502	3.981	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785609220	AORAXPKUHMWVJS-APIJFGDWSA-N	422.241	3.859	10	20	HHCD	
COC(=O)c1cncc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)c1	788551377	ZDOJURHJABWAHP-UHFFFAOYSA-N	423.903	3.754	10	20	HHCD	
CCCC1CCC(N(C)C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	789860951	OOEILQRTOGXTCO-UHFFFAOYSA-N	417.619	3.673	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccoc2C2(O)CCOCC2)cc1)C1CCCCC1	798166383	XJJAQOPGXZZXMT-UHFFFAOYSA-N	412.530	3.977	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2cnn(CC)c2nc1C	799690672	UAPOUZJVINOEKI-UHFFFAOYSA-N	417.307	3.890	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCOCC(F)(F)F)cc2Cl)C1	799877284	UHWIWBXHTPVPFY-CYBMUJFWSA-N	407.864	3.954	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3sccc3-n3cnnn3)cc2Cl)C1	800049982	LFQQKJXBLYZHBR-CYBMUJFWSA-N	416.938	3.544	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)c1nc(-c2ccccc2)no1	804123543	ZNNDIVIZIBZIGF-MRXNPFEDSA-N	408.483	3.669	10	20	HHCD	
CC(C)(C)c1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	806950433	SFENIRQECIJSSD-HNNXBMFYSA-N	404.461	3.774	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H](c1ccccc1F)N1CCOCC1	807838463	SEWRBROYHFOUTH-KRWDZBQOSA-N	413.276	3.528	10	20	HHCD	
COC[C@@H](NC(=O)NCc1cccc(Br)c1O)c1cccc(Cl)c1	808372744	JIMZYNDFPBGRCS-OAHLLOKOSA-N	413.699	3.995	10	20	HHCD	
Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccc(F)cc1F	808893909	BJCYLLPTPSVWEA-LLVKDONJSA-N	402.401	3.623	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](n4cccn4)C3)cc2Cl)C1	812909224	STZYIBMHPVOCMS-AEFFLSMTSA-N	401.942	3.929	10	20	HHCD	
COCc1ccccc1/C=C(/C)CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	814290294	FNYGIYGIMSWVAR-DJAVKIJBSA-N	407.558	3.728	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c(C)n1-c1cccc(C(C)C)c1	818154912	CTGCIVOZDBQMGX-JOCHJYFZSA-N	421.545	3.779	10	20	HHCD	
CSc1ccc(-c2csc(NS(=O)(=O)c3ncn(C)c3Cl)n2)cc1	914577945	CFEAQNHAUXPFIH-UHFFFAOYSA-N	400.938	3.720	10	20	HHCD	
COC(=O)c1ccc(F)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	916681619	KKJOYRGSMLOCFN-MRXNPFEDSA-N	402.422	3.531	10	20	HHCD	
Cc1nc(C)c2c(C)c(CNCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)sc2n1	917394252	DBIPXJPQFQVLKF-GOSISDBHSA-N	423.586	3.608	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H](C(C)C)N3CCC(C)CC3)CC2)cc1	918006977	WBEYZZCBGKHOGK-HSZRJFAPSA-N	416.610	3.673	10	20	HHCD	
COc1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(OC)c1OC	918058018	LYIZCMGJCJOMRC-UHFFFAOYSA-N	413.518	3.653	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC1(c2ccccc2)CCC1	918199692	ODPZCOYAABOAKX-UHFFFAOYSA-N	411.521	3.708	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	918303664	CZEJWSHRNZXKON-UHFFFAOYSA-N	411.836	3.605	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cccc(C(=O)N2CCOCC2)c1	920466887	KSAIDRVRERPKFH-UHFFFAOYSA-N	423.538	3.558	10	20	HHCD	
CCc1cccnc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	1341052001	MVWCJTUEXYDOSV-UHFFFAOYSA-N	401.378	3.580	10	20	HHCD	
C[C@H](NC(=O)NCCc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1	139930330	WQHHKLPUKOHNFK-INIZCTEOSA-N	410.543	3.736	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cc(Cl)c3c(c2)OCCO3)cc1	195564087	MHPPJPFGJFJQRD-UHFFFAOYSA-N	403.910	3.957	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1	236687447	SMJLDWPFPNQRHX-UHFFFAOYSA-N	415.603	3.996	10	20	HHCD	
O=C(Nc1ccccc1)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)nn1	301282047	MXVLMYHVUPRIFJ-UHFFFAOYSA-N	417.513	3.550	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cc1	303250961	NCMZHEJDFQLQPN-JOCHJYFZSA-N	413.481	3.927	10	20	HHCD	
CCn1cc(-c2nn(C)cc2C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)cn1	488676574	NJDRTYCLFCDWCS-UHFFFAOYSA-N	419.407	3.795	10	20	HHCD	
COCCNc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1	524231636	YNFJKUCHGPZNII-UHFFFAOYSA-N	409.530	3.893	10	20	HHCD	
Cc1cc(C(=O)NCC2CCN(C)CC2)c(C)n1-c1cccc(Br)c1	725729077	YGTUJVLPMNNVSS-UHFFFAOYSA-N	404.352	3.928	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	727479026	ZMPPZFRGUVOYDJ-OAQYLSRUSA-N	401.457	3.848	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N(CC)CC)cc2)cc1	728024414	MHQJDNGRDQQAPJ-UHFFFAOYSA-N	403.548	3.615	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1ccc(I)cc1Cl	728068809	HSOZEBBONUIVAL-UHFFFAOYSA-N	401.631	3.922	10	20	HHCD	
CC(C)C(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1	728837798	ZVHOACHBJHVKHA-UHFFFAOYSA-N	413.484	3.538	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1	728938543	RLJLXDDGTBNDIO-CQSZACIVSA-N	409.442	3.807	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1	731014811	LCVIMAUEQWHCOQ-UHFFFAOYSA-N	419.485	3.947	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2nnc(Cc3ccccc3F)s2)c1	731117060	RDCHJYYREILWNV-NSHDSACASA-N	402.451	3.865	10	20	HHCD	
Cc1ncsc1CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	731219615	ARFHTWNZVGQSON-OKILXGFUSA-N	406.527	3.546	10	20	HHCD	
COc1ccc(OC(F)F)c(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1	733001387	PUHUTVRVNHYLFG-XNTDXEJSSA-N	414.499	3.592	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccccc1SCC(=O)N1CCCC1	733884815	ZLISLEMWPFAFRV-UHFFFAOYSA-N	421.613	3.770	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1	734407251	KCHMWBMBNOHMCB-IBGZPJMESA-N	417.962	3.546	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(n2c(O)nc3ccccc32)CC1	734687321	UUISQLWACWNNSL-UHFFFAOYSA-N	407.518	3.663	10	20	HHCD	
CC(C)C(=O)Nc1nc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)cs1	735930935	SKWPCRQLTNUKRF-UHFFFAOYSA-N	413.499	3.808	10	20	HHCD	
Cc1cc(C(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)c(C)n1-c1cccc(F)c1	738316721	FVYKTNGLYBWMAZ-QFIPXVFZSA-N	413.537	3.603	10	20	HHCD	
CCCN(CC)c1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1	739766095	NFHPHTWGJLCRMZ-UHFFFAOYSA-N	408.546	3.877	10	20	HHCD	
CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cccc(N2CCCCCC2)c1	740846622	ARAFUYXNFASVGZ-UHFFFAOYSA-N	405.495	3.830	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H](CCO)c1ccccc1	741084891	VPUKYPNMWGLIRJ-HXUWFJFHSA-N	419.472	3.680	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCN(c2ccc(F)cc2F)C1	743595950	IRMWCKYRIHFDNX-INIZCTEOSA-N	401.457	3.627	10	20	HHCD	
CC(C)(C)CN(CCCO)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745906357	ZKGFZAIWFNXQBR-MRXNPFEDSA-N	413.509	3.697	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Cc1ccco1	746109121	JZYSTKWDMKIBDV-QZTJIDSGSA-N	417.525	3.559	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@@H](CO)C3)c2C)ccc1Br	746462853	PSMKJYZAWDNDER-MRXNPFEDSA-N	405.336	3.662	10	20	HHCD	
C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1	748020575	XVCJSWVHIUBENW-KRWDZBQOSA-N	408.546	3.691	10	20	HHCD	
O=C(NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)c1ccccc1	748963262	ZNDUZJVDIRKJDE-NRFANRHFSA-N	420.557	3.638	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1	753645560	VZJPOWHWJJHUTD-LAUBAEHRSA-N	418.493	3.706	10	20	HHCD	
C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1cc(Br)ccc1O	756570873	BYCUOSNFMGIOAP-CYBMUJFWSA-N	407.308	3.958	10	20	HHCD	
COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H](C)c1cc(C)ccc1O)CC2	756703407	AIHIHWVXTZXFEF-QGZVFWFLSA-N	412.530	3.734	10	20	HHCD	
CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@H](C)c2ccc(F)cc2O)CC1	756769080	JJWYAVZLWJJVAS-QGZVFWFLSA-N	420.550	3.944	10	20	HHCD	
C[C@H]1CN(c2ccc(CN3C(=O)N(C)C4(CCCCC4)C3=O)cc2F)C[C@@H](C)O1	761088215	BPAZQYMXQKZHTC-IYBDPMFKSA-N	403.498	3.536	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2C[C@@H](O)C[C@@H]2C)sc(C)c1-c1ccccc1	761105532	OEDGLFNAFHGREM-YOEHRIQHSA-N	416.543	3.684	10	20	HHCD	
O=C1N[C@H](c2ccccc2F)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	761158368	JOZUPJRLVSXPBA-GOSISDBHSA-N	419.403	3.689	10	20	HHCD	
CC(C)COc1ccccc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1	761700000	ZRLCDBMCNVFVLC-UHFFFAOYSA-N	403.460	3.516	10	20	HHCD	
CNS(=O)(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1C	766098584	RFJLSKMOCKZCOJ-UHFFFAOYSA-N	411.527	3.871	10	20	HHCD	
COc1ccc(N2CCCN(Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CC2)cc1	767892011	VLWHRKCHOPJNCH-UHFFFAOYSA-N	418.419	3.875	10	20	HHCD	
CN1CCN(c2ccc(CN(CCCOc3ccccc3)C3CCOCC3)cc2)CC1	768525323	VRZOTUGKKDVLRQ-UHFFFAOYSA-N	423.601	3.889	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)c2C)cc1	768956561	MOJYXHFFQIVQPY-HTAPYJJXSA-N	400.544	3.887	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1O	769508270	UYUZMCYQNIPMDP-UHFFFAOYSA-N	407.401	3.982	10	20	HHCD	
COc1ccc(NCc2cc(Br)ccc2O)cc1-n1nnnc1C1CC1	770603762	RUAIWMLNKLZZRW-UHFFFAOYSA-N	416.279	3.629	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccn(Cc3ccccc3)n2)cc1	772609391	DQTJFUBQOCTCFP-QHCPKHFHSA-N	418.541	3.819	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(Cl)cc1Cl	774664702	ZHVLZXGNFLBLAT-UHFFFAOYSA-N	408.329	3.724	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1	774831201	RGFCHHQGMVWKIA-UHFFFAOYSA-N	422.447	3.899	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1	774922505	YXNSDLAVMGDBGB-HNNXBMFYSA-N	403.473	3.647	10	20	HHCD	
CCOc1ccc(O)c(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1	775037020	JHHMNHSADGAHAJ-UHFFFAOYSA-N	403.422	3.503	10	20	HHCD	
Oc1ccc(Br)cc1CNCCc1ccc(OCC(F)(F)F)nc1	775356091	DJSLGCXMHZVXBQ-UHFFFAOYSA-N	405.214	3.823	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnn(C)c3-c3ccccc3)cc2F)C[C@@H](C)O1	775480055	BDNSJYCMXQTSGZ-CALCHBBNSA-N	422.504	3.770	10	20	HHCD	
CC(C)[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1	778484748	BFBROIPSDDUHMQ-CNYBTUBUSA-N	424.613	3.613	10	20	HHCD	
COc1ccc(C(=O)NCCN[C@@H](C)c2cc(Br)cc(C)c2O)cc1	779029436	HSXUQJNIODPHJF-ZDUSSCGKSA-N	407.308	3.552	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)c(-n4cccc4)c3)c2)CC1	781045671	NNTBMQJSRHIOTK-UHFFFAOYSA-N	402.498	3.707	10	20	HHCD	
CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785075481	HJLYWSMBDLTPNX-IBGZPJMESA-N	407.474	3.510	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1F	788712897	ICVASULNOTVTNX-UHFFFAOYSA-N	403.408	3.892	10	20	HHCD	
C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1O	788748802	BLKNDMNTSJWQEH-DNVCBOLYSA-N	422.447	3.532	10	20	HHCD	
CC[C@H]1CCc2nc(NC(=O)C(=O)N(CC)Cc3ccc(N(C)C)cc3)sc2C1	789369500	DZDOIBGUVDVSAD-HNNXBMFYSA-N	414.575	3.711	10	20	HHCD	
CN(C)c1ccc(CNCCCS(=O)(=O)Cc2ccccc2)c(C(F)(F)F)c1	792920335	VAOIGTKFKKHKMQ-UHFFFAOYSA-N	414.493	3.866	10	20	HHCD	
CN1CCN(c2ccc(CNCc3ccncc3OCc3ccccc3)cc2)CC1	796451860	WNQJELSMMZTBLO-UHFFFAOYSA-N	402.542	3.702	10	20	HHCD	
Cc1cc(C)n2nc(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)nc2n1	800048928	CSWNFFVCRDFIOI-CYBMUJFWSA-N	412.925	3.561	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N(Cc3ccccc3)CC3CCC3)ccc21	803688292	XFWCDJDEZUUVED-UHFFFAOYSA-N	405.542	3.514	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807511821	WPMTXFLAFYZHHB-UHFFFAOYSA-N	417.676	3.924	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1oc2ccccc2c1OC	809724967	GTDBDWVEJYZBFH-UHFFFAOYSA-N	410.470	3.592	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	812273755	ITPSPCHINSWPHW-INIZCTEOSA-N	407.436	3.625	10	20	HHCD	
COC1(CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1	818015976	BPCRSZIZGSQVMT-SQFISAMPSA-N	424.613	3.805	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(c3nncn3C)CC2)c(C)n1-c1ccc(Cl)cc1	915067468	LQFXVIGENOCNCI-UHFFFAOYSA-N	411.937	3.825	10	20	HHCD	
C[C@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)C[C@H](C)O1	916386117	KLMKEILNOMITQL-PMACEKPBSA-N	424.589	3.703	10	20	HHCD	
COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	916591289	XLJORVHQWSDBJY-OAHLLOKOSA-N	403.523	3.948	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(OC(F)F)cc3)cc2F)C[C@H](C)O1	917714952	XEBFVWLZDBEFQJ-GJZGRUSLSA-N	422.447	3.900	10	20	HHCD	
O=C(NCCCn1ccc2ccccc21)NCc1ccc(N2CCC(O)CC2)c(F)c1	918143099	SBBQUZPQTLGKSD-UHFFFAOYSA-N	424.520	3.631	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H]1CCCc2ccccc21	918210607	QMCNZZALKHRZRA-JOCHJYFZSA-N	407.558	3.815	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(N2CCCCCC2)nc1	919968792	KPHAXDCPWJWCNY-UHFFFAOYSA-N	422.573	3.601	10	20	HHCD	
COc1ccc2[nH]c(C)c(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2c1	1324247523	KZCCGAIFMRKKCK-UHFFFAOYSA-N	411.477	3.515	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(C(=O)N(C)C)c(Cl)c3)cc2F)CC1	1325678749	GTDXYAOZYRTWKA-UHFFFAOYSA-N	404.917	3.545	10	20	HHCD	
COc1cc(Br)c(OC)c(C(=O)Nc2c(Cl)ccc3nonc23)c1	1346941377	RJDAWNSQJZCPDF-UHFFFAOYSA-N	412.627	3.908	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(Oc2ccccc2)CC1	1351237952	GMPDBQQBJNZDGZ-MRXNPFEDSA-N	402.441	3.985	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cnc(SC)n3-c3ccccc3)CC2)cc1	108432827	RZODOAHYTPYOKV-UHFFFAOYSA-N	422.554	3.955	10	20	HHCD	
Cc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cnn1C	21603705	CFHUTRPWGMFMKD-UHFFFAOYSA-N	403.841	3.968	10	20	HHCD	
Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)NCc2c(C)c3ccccc3n2C)c1	436992775	YHAAQPLBJQCYFL-UHFFFAOYSA-N	418.453	3.671	10	20	HHCD	
CCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	800049008	KEYXNANOTUMZQV-SJLPKXTDSA-N	405.970	3.841	10	20	HHCD	
CCN(CC)CCNC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1OC	802761062	JNGOTEIDXAHLAI-UHFFFAOYSA-N	405.926	3.738	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	807652221	OOQPNLGZZQVWPJ-JJRVBVJISA-N	423.351	3.588	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(C(F)F)cc1	808544447	CIFOMMICCNMOAG-UHFFFAOYSA-N	421.513	3.957	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1c(C)nc(-c2cccnc2)nc1O	801548506	IEVUCTWTGOMSJA-UHFFFAOYSA-N	406.486	3.630	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1	801548459	GRZFKLPZGIULHH-UHFFFAOYSA-N	418.559	3.864	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)N(C)C)c(OC)c2)cc1F	802646780	OZELNJGFQMEAIV-UHFFFAOYSA-N	409.527	3.543	10	20	HHCD	
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807835939	NCVROBMBRWZZPF-QGZVFWFLSA-N	423.296	3.629	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2nc(C3CC3)nc3c2CCC3)CC1	480823402	GCDVGEWSCIDDEN-UHFFFAOYSA-N	414.509	3.666	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	810318452	ARPRMMHIQAQCCU-UHFFFAOYSA-N	412.490	3.688	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1	811822578	FVTRXCHYXWHWHC-UHFFFAOYSA-N	416.524	3.943	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(Cc3ccc4ccccc4c3O)CC2)C1	816613008	FGGNOKPUTHTKAI-HXUWFJFHSA-N	411.546	3.672	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COCc2cccnc2)cc1	813448433	NWTPWQWRBFSAPC-UHFFFAOYSA-N	405.498	3.906	10	20	HHCD	
CC[C@@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)OCCc2ccccc21	811841644	NVASCUOVIDDNFD-QFIPXVFZSA-N	414.889	3.688	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccco1)Cc1ccccc1O	726103445	QPPDPBAWGDWHHV-UHFFFAOYSA-N	411.414	3.814	10	20	HHCD	
COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCc2cccc(OC)c2O)cc1	729859672	VNSFRTQYLHNMQE-UHFFFAOYSA-N	424.428	3.731	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1	732702377	ZCTYFSNENCBGLF-UHFFFAOYSA-N	402.516	3.961	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C3(c4cc(C)cc(C)c4)CC3)cc2F)CC1	730193798	AGXNWQRIWUVEQQ-UHFFFAOYSA-N	409.549	3.932	10	20	HHCD	
Cc1cc(OC(F)F)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1	734057975	UQEPXMHWGJTXOL-UHFFFAOYSA-N	412.458	3.539	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1	734166909	HYRLZWDNCKZLJH-SFHVURJKSA-N	404.555	3.732	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C1	742396238	OBCQBBJXONDICX-CQSZACIVSA-N	420.416	3.510	10	20	HHCD	
CC(=O)Nc1ccc(C)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	917657843	AGXOYBNOEUGNCI-UHFFFAOYSA-N	403.548	3.619	10	20	HHCD	
Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	919076925	NCDZXFPDFCZKNC-QGZVFWFLSA-N	405.498	3.702	10	20	HHCD	
C[C@H](OCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799055	SYZNMZDVYVFSJY-FUHWJXTLSA-N	404.457	3.978	10	20	HHCD	
CC(C)CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1	917057713	KLNKFWRKUZTKMK-ROUUACIJSA-N	405.558	3.566	10	20	HHCD	
COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	747463599	QPOLWHLNEJHVMF-UHFFFAOYSA-N	419.481	3.808	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1CC(F)(F)F	743888753	CTXKAIJSORJIMM-UHFFFAOYSA-N	407.436	3.845	10	20	HHCD	
COc1cc(N(C)CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc(OC)c1OC	741799263	VMNDCAITLNBWGC-UHFFFAOYSA-N	424.501	3.590	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3[C@H](C)C[C@@H]4CCCC[C@H]43)cc2F)C[C@@H](C)O1	743853664	BRHMKISNIBMIMG-LJKBXEIESA-N	417.569	3.709	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O	745817339	YOSCMQNBFMJOFK-FQEVSTJZSA-N	412.509	3.617	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1NC(=O)OC(C)(C)C	740919671	GVLXLABPCJYTMA-FXAWDEMLSA-N	414.550	3.508	10	20	HHCD	
CCOc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753740059	ZANQFQNYLFVTFV-UHFFFAOYSA-N	414.477	3.545	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1I	750627814	SPBKFCXNNVDIMJ-UHFFFAOYSA-N	400.191	3.800	10	20	HHCD	
C[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)c1ccc(F)cc1O	756562970	KJWMBTMHBWFXDD-CYBMUJFWSA-N	409.299	3.993	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](COCC(C)C)c3ccco3)CC2)cc1F	753890257	FHDDQOUXVHVAJG-IBGZPJMESA-N	419.497	3.673	10	20	HHCD	
CC1(C)C[C@@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1	754229137	MFFFULVXNDORHS-JMRXEAOASA-N	424.613	3.803	10	20	HHCD	
C[C@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)c(Cl)c1O	756395099	GUUMOVJRYAHJIM-LBPRGKRZSA-N	414.333	3.994	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2nc(C3CC3)nn2C)cc1	857449909	LNTWMPNRLLQKQK-UHFFFAOYSA-N	419.529	3.543	10	20	HHCD	
O=C(COC(=O)/C=C\c1cccs1)Nc1cccc2c1C(=O)c1ccccc1C2=O	755181073	UHFAJJKNXKUYBD-KHPPLWFESA-N	417.442	3.719	10	20	HHCD	
C[C@@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c2c(O)ccc(F)c21	756476116	LYZLZKLAWGKKST-KDOFPFPSSA-N	404.507	3.654	10	20	HHCD	
COC(=O)COc1c(C)cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1C	752287631	LGXXZPVLPUJAEO-UHFFFAOYSA-N	410.514	3.726	10	20	HHCD	
Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc(N(C)C)c(F)c3)CCCC2)cc1	750822587	ULSDFSDMUARPNC-UHFFFAOYSA-N	418.534	3.603	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)COc3cccc(OCC(C)C)c3)CC2)cc1	752814701	PRZNRYRFONHFSS-UHFFFAOYSA-N	412.530	3.848	10	20	HHCD	
C[C@H](c1ccccc1)N(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1O	757284656	FREGPSBMJWPIOA-GOSISDBHSA-N	415.493	3.941	10	20	HHCD	
CC(C)Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	751235848	DEVYOTKUIYWUHJ-UHFFFAOYSA-N	416.587	3.572	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	757958485	HQGACJQNVIRUKE-KNQAVFIVSA-N	412.917	3.962	10	20	HHCD	
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1C(C)C	753501479	CCRYYCRBYUCVEU-UHFFFAOYSA-N	413.518	3.531	10	20	HHCD	
CN(C)[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2O)CC1	763587891	GWLUBCBELXTIDE-CYBMUJFWSA-N	406.162	3.833	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CC2CCSCC2)NC(=O)OC(C)(C)C)cc1	762233590	TURSZGCNNNMFHK-LJQANCHMSA-N	421.607	3.968	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H]1CCOC2(CCC2)C1	769128661	WHBRGJFWQOWGRO-HOTGVXAUSA-N	409.477	3.658	10	20	HHCD	
C[C@H]1N(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCOC1(C)C	763702961	XZACRORVCSJMDB-MLJWKTOOSA-N	424.613	3.755	10	20	HHCD	
Cc1cc(CC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1	766507368	VKUAMAROTUQBHB-NRFANRHFSA-N	413.880	3.772	10	20	HHCD	
CCc1ccccc1NC(=O)CN(C)Cc1cc(Br)cc(OC)c1O	768178868	ICHIZMQSKMTFOO-UHFFFAOYSA-N	407.308	3.796	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1CCCCN1Cc1ccccc1	765734940	ABLHELRNBNJBRP-SFHVURJKSA-N	403.320	3.826	10	20	HHCD	
O=C(CCOc1ccccc1F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768913397	ZHLIWYHRIFPRIU-QGZVFWFLSA-N	406.885	3.734	10	20	HHCD	
COC(=O)CN(Cc1ccc2c(c1)COC(C)(C)O2)Cc1cc(Cl)ccc1O	768663682	NNANWBHBESSGKL-UHFFFAOYSA-N	405.878	3.866	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C(=O)Nc1cccc(Cl)c1Cl	765904813	XFZFIJBJZVVPJH-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
Cc1cc(C(=O)N2CCN(Cc3cc(Br)cc(C)c3O)CC2)c(C)o1	775658701	RGWKCBUBSVHJAC-UHFFFAOYSA-N	407.308	3.631	10	20	HHCD	
Cc1nc([C@@H]2CCCN(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)C2)n[nH]1	776123623	VZHIGHMEXPTEQZ-LJQANCHMSA-N	410.566	3.971	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O	773741919	ZQGYQPPUUVXPTB-FZMZJTMJSA-N	423.296	3.505	10	20	HHCD	
O=C(C[C@H](O)c1cccc(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	772720788	UBEGPVPHNWTDOB-LPHOPBHVSA-N	408.420	3.636	10	20	HHCD	
COc1ccc(NC(=O)C2(NCc3ccc(N(C)C)c(F)c3)CCCC2)cc1OC	779177482	BYWVWTIRCXFMQF-UHFFFAOYSA-N	415.509	3.950	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c[nH]c2cc(Cl)ccc12	777828067	HECQJTIIXDUHAW-UHFFFAOYSA-N	421.280	3.925	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnn1C1CCCC1	771059373	PNYZINOMMYXMRK-QGZVFWFLSA-N	402.926	3.752	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(Br)n1	775610644	JSVSXRHYVXUKPZ-UHFFFAOYSA-N	414.097	3.975	10	20	HHCD	
CC[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1O	775521893	DECHGOMAQBMZCP-STQMWFEESA-N	409.246	3.749	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1	788789757	NSQNCMBMTIDKAJ-AWEZNQCLSA-N	410.301	3.786	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1C	784109641	WLNFMWIFEOYAIB-UHFFFAOYSA-N	408.502	3.698	10	20	HHCD	
Cc1ccc(C2(CNC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)CCC2)cc1C	788933643	RPYGJVKQILTTOT-UHFFFAOYSA-N	419.569	3.758	10	20	HHCD	
COC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)c1ccc(Br)cc1	792175877	ZEEOAQPTZPXWCS-OAHLLOKOSA-N	402.647	3.951	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNC(=O)c2sccc2-n2c(C)ccc2C)s1	792494278	VIFBFSMKFZEMGC-UHFFFAOYSA-N	408.570	3.941	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@H]2OCCC[C@H]2C1	1203562968	RQVKXIDPVJEYOW-IINYFYTJSA-N	405.130	3.918	10	20	HHCD	
COc1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(O)c1	794381258	NTFIOHMAGGULFU-UHFFFAOYSA-N	405.863	3.513	10	20	HHCD	
CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1	799636445	PFVFYYPDURXRLX-UHFFFAOYSA-N	421.931	3.966	10	20	HHCD	
CNC(=O)Cc1noc(CNc2ccc(Cl)cc2C(=O)c2ccccc2Cl)n1	799967570	KAYLYDOHGQEBDV-UHFFFAOYSA-N	419.268	3.508	10	20	HHCD	
CCc1cccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)c1	1318983360	HJZOFPHKIKTALG-UHFFFAOYSA-N	415.540	3.809	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c(O)c1	1321032995	MYTZTHYQICJAIC-FQEVSTJZSA-N	406.486	3.522	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=S)Nc3ccc(C)c(C)c3)CC2)cc1	7027501	IYBVLXJBYMQBHF-UHFFFAOYSA-N	412.603	3.811	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)c2C)cc1	8761501	KFIZJNJHOMDTGC-UHFFFAOYSA-N	416.437	3.904	10	20	HHCD	
O=C(CNc1ccc(F)c(F)c1F)Nc1cccc2c1C(=O)c1ccccc1C2=O	22907540	WZXDRBAXJXYKRT-UHFFFAOYSA-N	410.351	3.930	10	20	HHCD	
O=C(Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1)c1ccccc1	55619853	BECYGOULSAWRCN-UHFFFAOYSA-N	410.480	3.744	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3SCC(N)=O)c2C)cc1	61075927	CMSLRLCUYNZQPX-UHFFFAOYSA-N	409.511	3.932	10	20	HHCD	
Cc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)c1	139821610	QXIJMXHHDYJCLP-UHFFFAOYSA-N	405.521	3.849	10	20	HHCD	
Cc1nc(-c2cccnc2)nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C	301386231	XCXUVPZVBVBTAX-UHFFFAOYSA-N	407.493	3.868	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c1	303151986	VWLOIPUDSZBLAO-UHFFFAOYSA-N	423.542	3.745	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@@H](O)c3ccc(Cl)cc3Cl)ccc21	303507328	WFLUSWUNHJGPJP-LJQANCHMSA-N	408.329	3.909	10	20	HHCD	
Cc1c(CNC(=O)NCCCC(=O)N2CCc3ccccc32)n(C)c2ccccc12	471863234	UZWVPDFDRWTMDG-UHFFFAOYSA-N	404.514	3.655	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC(=O)Nc3ccc(Cl)cc3)ccc21	483414322	WRDRGEAFBMMRCZ-UHFFFAOYSA-N	413.905	3.926	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc3c(c2)CCCN3C)cc1Br	725876240	FNSMYLTYUHHRGF-UHFFFAOYSA-N	418.335	3.840	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)SC2=S)cn1	726986323	OQPZXZZWQLCEKO-ZROIWOOFSA-N	418.496	3.522	10	20	HHCD	
Cc1cc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)c(C)n1-c1ccc(C(C)C)cc1	727387623	ATPDFMFJCSYKNW-UHFFFAOYSA-N	407.518	3.755	10	20	HHCD	
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NCc1ccc2c(c1)CCCN2C	728397451	PTCOGQDGBBQPIQ-UHFFFAOYSA-N	408.546	3.503	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NCc3ccc(C)cc3)ccc21	728637817	RFMKSRISZHCRIT-UHFFFAOYSA-N	408.498	3.686	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)c1	729064113	PKCAPOFMGPAKSD-GFCCVEGCSA-N	418.540	3.695	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C)c2I)c1	729280321	QPGOSBDTPSVCFH-NSHDSACASA-N	411.239	3.805	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H]3C(C)(C)C)cc2F)C[C@@H](C)O1	729474598	JVQXSCBPWNZXNQ-LZJOCLMNSA-N	405.558	3.566	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(OCCC(=O)NC)cc2)cc1	729581364	JQPIEFOBUPPRKV-UHFFFAOYSA-N	412.534	3.712	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCN2CCc3sccc3C2)cc1F	731403896	ZUHFBMIZJYCCRK-UHFFFAOYSA-N	404.555	3.591	10	20	HHCD	
COC(=O)c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c(OC(F)F)c1	732437949	DPDAWZCNKNXYGX-UHFFFAOYSA-N	419.428	3.997	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](N4CCCCC4=O)C3)ccc21	732775429	GSCPTLBOWOGVHK-FQEVSTJZSA-N	411.546	3.522	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)Oc1ccccc1	733804053	WCWWUWCDSYHHKX-OKZBNKHCSA-N	415.509	3.706	10	20	HHCD	
CSc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	740924143	SGKGJQRZYHHGRW-HNNXBMFYSA-N	418.534	3.592	10	20	HHCD	
C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cc2)C[C@@H](C)O1	741065032	NPCPNGVJKZFXPZ-RTBURBONSA-N	406.530	3.998	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	742183318	FLDDXXABGPIYEL-UXHICEINSA-N	406.523	3.661	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2C[C@H](C)S[C@H](C)C2)c([N+](=O)[O-])c1Br	742420673	FAUOOPXAUZQWRA-OCAPTIKFSA-N	406.258	3.604	10	20	HHCD	
Cc1cc2c(cc1C)O[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C2	742602826	ZQJGYXFRQMRGJG-UPVQGACJSA-N	408.542	3.881	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1O	745489689	STYNBPKPHBHGSN-GOSISDBHSA-N	403.910	3.691	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1	746295569	FWAIHJAVKYVMHM-NRFANRHFSA-N	408.464	3.577	10	20	HHCD	
COCCN(CC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccc(OC)c(OC)c1	746475814	YVHNLKOMRIGJMH-NRFANRHFSA-N	412.530	3.693	10	20	HHCD	
O=C(Nc1cc(Cl)ccc1O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748036777	ZUMSZSYTFXCIOK-UHFFFAOYSA-N	424.887	3.866	10	20	HHCD	
Cc1cc(C(=O)Cn2c(-c3ncccn3)noc2=O)c(C)n1-c1ccc(C(C)C)cc1	750948242	BGHVCYGRULYBJI-UHFFFAOYSA-N	417.469	3.707	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCSC3(CCCCC3)C2)c1	751138641	NIHVKAHLHKSINT-UHFFFAOYSA-N	418.603	3.679	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)C[C@H](O)c3cccs3)CC2)cc1	752663700	GWBNCDCHNZLVGE-KXBFYZLASA-N	403.548	3.537	10	20	HHCD	
CCc1nsc(N2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)n1	753545235	RHFWYRHBENJYPR-UHFFFAOYSA-N	410.543	3.707	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CSc3cccc(F)c3)cc2F)C[C@@H](C)O1	753796372	WUUUGIGIOIDVJF-HUUCEWRRSA-N	406.498	3.987	10	20	HHCD	
Cc1ccc([C@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	754660198	RPUQBBLUMRIIFU-UXLLHSPISA-N	419.566	3.776	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(C)cc3Cl)CC2)cc(OC)c1OC	755384127	HZYANAJJUFEKGC-UHFFFAOYSA-N	404.894	3.637	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1F	756095596	HFFOLVDFNVQMID-UHFFFAOYSA-N	402.228	3.593	10	20	HHCD	
CCOc1ccc(C2(CN[C@H](C)c3cc(C(=O)OC)ccc3O)CCOCC2)cc1	756453315	DZUYPAYSRUELAX-QGZVFWFLSA-N	413.514	3.977	10	20	HHCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1NC(=O)OC(C)(C)C	756918367	OMBVXNKDJKOSFH-IEBWSBKVSA-N	404.555	3.587	10	20	HHCD	
C[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1cc(Br)cc(Cl)c1O	757660230	CGHPIILEUXSNCR-JTQLQIEISA-N	409.711	3.945	10	20	HHCD	
CCOC(=O)COc1ccc(NCc2cc(Br)cc(OC)c2O)cc1	757910065	KTSPIFWXDTZPDG-UHFFFAOYSA-N	410.264	3.717	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)ccc1N1CCCCC1	758522218	JOBSLXHBPPBTDH-OFNKIYASSA-N	413.493	3.980	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)ccc1N1CCCCC1	758522220	JOBSLXHBPPBTDH-REWPJTCUSA-N	413.493	3.980	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(CC(C)C)c3C(F)F)CC2)cc1	758967789	DHAMNUNSWIGGLF-UHFFFAOYSA-N	406.477	3.884	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O	759003312	OFDUFZZUUVUKRL-YLJYHZDGSA-N	423.579	3.838	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnn(CC(C)C)c3C(F)F)CC2)cc1F	759326333	SWTWWCGGFRUCMN-UHFFFAOYSA-N	410.440	3.587	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc(CO)n(-c2ccccc2)c1=S	762028677	XPXXATZVPPSMIW-UHFFFAOYSA-N	411.575	3.830	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C[C@@H](c3ccccc3)N(C)C)cc2F)C[C@@H](C)O1	764382257	NSCSKDPHACZEJE-IXFSTUDKSA-N	413.537	3.749	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C)n1-c1ccccn1	765729857	MLPNUUBDPVCQMC-XMMPIXPASA-N	424.545	3.962	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3c(cnn3C(C)C)c2=O)c(C)n1-c1cccc(F)c1	768465940	GUHJTCZKGBIURW-UHFFFAOYSA-N	407.449	3.603	10	20	HHCD	
COc1ccc(N2CCCN(Cc3ccc(OC(=O)C4CC4)c(OC)c3)CC2)cc1	768999544	ZAWOVXSLEOIHAD-UHFFFAOYSA-N	410.514	3.732	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](c2ccccc2F)C2CCCC2)c1	769978365	NLZMFJVTKACLJF-IBGZPJMESA-N	406.479	3.564	10	20	HHCD	
C[C@@H](NC(=O)N1CCSC[C@@H]1c1nccs1)c1ccc(N2CCOCC2)cc1	771310542	MSTFDFRJFDLLFC-CRAIPNDOSA-N	418.588	3.540	10	20	HHCD	
CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	771443032	GWQVLCZDKASJTJ-SFHVURJKSA-N	401.492	3.648	10	20	HHCD	
CCc1ccc([C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C(C)C)cc1	774411756	MGKVKHCDQLCAAK-HSZRJFAPSA-N	400.588	3.971	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCOc1ccc(NCc2cc(F)ccc2O)cc1	775983707	MFSLNELQZCVGTN-UHFFFAOYSA-N	406.413	3.818	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](Cc3nc[nH]n3)c3ccccc3)c2C)cc1	779556211	KVDZFELWYKSHJC-JOCHJYFZSA-N	415.497	3.935	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(Br)cc1	780358938	OWNKIDRCJXBMJC-CVEARBPZSA-N	405.336	3.742	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccc(-c3nnco3)c2)C2CCCCC2)cc1	784059550	MTBYOFSYOLGTOP-UHFFFAOYSA-N	405.458	3.623	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC1CCCC1	784626207	OBBRNXPTKQBEMA-UHFFFAOYSA-N	410.514	3.783	10	20	HHCD	
Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	785295585	WWBSSCQFMWURPM-MRXNPFEDSA-N	420.465	3.884	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC(=O)c4ccccc43)cc2F)C[C@@H](C)O1	785888832	XTIPCJOJGUFKBE-QINHECLXSA-N	410.489	3.816	10	20	HHCD	
C[C@H]1CN(c2ccnc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)C[C@@H](C)O1	789950672	UFIMEWRDVHSPPF-BGYRXZFFSA-N	422.573	3.958	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1	790054976	SWEDFSKRWSAKLL-UHFFFAOYSA-N	424.878	3.571	10	20	HHCD	
O=C(c1c(F)ccc(O)c1O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1	790070671	YWGYYEWOTYTEDZ-UHFFFAOYSA-N	412.383	3.604	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	793724391	AFGRKIJIXQXLOO-HKUYNNGSSA-N	418.534	3.545	10	20	HHCD	
CCc1cccc2c1OCC[C@@H]2N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	794784401	CTPKSMTWFNAZPH-KRWDZBQOSA-N	400.862	3.896	10	20	HHCD	
CCN(CC)c1ccc(CNc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1F	796401037	CBGACMGGGAWUOE-UHFFFAOYSA-N	409.527	3.543	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)c(O)c1	797389204	VBQOMEHABSMGCE-UHFFFAOYSA-N	416.833	3.624	10	20	HHCD	
Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1-c1cccc(Cl)c1	797642595	HZQXKEQXFSGTEJ-GFCCVEGCSA-N	400.866	3.998	10	20	HHCD	
Cc1occc1C(=O)NCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800344479	SCTBFJSGRBWUJW-CQSZACIVSA-N	403.910	3.524	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2nc(C(C)(C)C)cs2)cc1	804865067	DHCBCEIKBFWXRB-UHFFFAOYSA-N	416.591	3.562	10	20	HHCD	
Oc1c(Cl)cc(Cl)cc1CNC(=S)NCCc1ccc2c(c1)OCCO2	806599803	XYYRXIYWYTVOQZ-UHFFFAOYSA-N	413.326	3.677	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccc(C[S@@](C)=O)cc1	807555260	ALDSEGWLTMDXEH-GDLZYMKVSA-N	413.587	3.897	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1	807931735	WOPIQWBLBQSQKR-MRXNPFEDSA-N	416.493	3.982	10	20	HHCD	
CSC1(CNC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCC1	807953959	CHCHIAQRKCLFIW-HNNXBMFYSA-N	424.010	3.594	10	20	HHCD	
COc1cccc(CNC(=O)NCCc2c[nH]c3cccc(Br)c23)c1O	812514537	AEVZLUGATDWABT-UHFFFAOYSA-N	418.291	3.687	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3ncco3)c2C)cc1F	815481537	KGCOTFCCRCKZHS-UHFFFAOYSA-N	424.476	3.890	10	20	HHCD	
COc1ccc(-c2noc(CN(Cc3ccc(N(C)C)cc3)C3CC3)n2)c(OC)c1	917073905	HLGWYKMOHFFTPQ-UHFFFAOYSA-N	408.502	3.984	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCc2cn3ccccc3n2)cc1	919655361	PKOKXRJUDGUPIV-UHFFFAOYSA-N	417.513	3.948	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnc(-c2ccccc2F)s1	920281723	HOWBNGLHDVEOSK-UHFFFAOYSA-N	415.465	3.855	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3nc(C4CC4)n(-c4ccccc4)n3)CC2)cc1	1319733510	OZTMMCRAXLZTKL-UHFFFAOYSA-N	417.513	3.506	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)CN(C)C(=O)OC(C)(C)C	1321743056	IRBQKVZWJTZMNH-KRWDZBQOSA-N	418.582	3.930	10	20	HHCD	
CCOc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCCC4)cc3C)CC2)cc1	1323177105	JXLRHYXMZVKYLV-UHFFFAOYSA-N	422.573	3.755	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H](C)CC3CCCCC3)CC2)cc(OC)c1OC	1337858093	ZZMBKSXGVOIEKO-KRWDZBQOSA-N	404.551	3.968	10	20	HHCD	
COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1	29118577	JBADKNJPXXXNSE-UHFFFAOYSA-N	417.509	3.701	10	20	HHCD	
CCNc1nc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccccc12	30342819	RGGVVUWMBHGLFF-UHFFFAOYSA-N	409.559	3.878	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c(OC(F)F)c1	542025503	GVJANXFYYSQNIN-UHFFFAOYSA-N	421.400	3.572	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC4(CCCCC4)CC3)cc2)C1	726707341	WDYPHKSSWFFHAU-HXUWFJFHSA-N	412.578	3.644	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3c(-c4cccnc4)noc3=O)c2C)c1	728162713	XFODICZUJDZHBD-UHFFFAOYSA-N	402.454	3.806	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1F	731346500	XINOYJLXSLIETI-UHFFFAOYSA-N	404.398	3.727	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1	731479937	CWDBOJNVEOEOTR-IBGZPJMESA-N	403.567	3.854	10	20	HHCD	
CN(C)[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1	731870121	CRRYRMBGEDBNDM-HXUWFJFHSA-N	403.979	3.812	10	20	HHCD	
O=C(NCCCSc1nccs1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	733972307	PUPKVUBAOOILCH-UHFFFAOYSA-N	406.533	3.566	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)c1	734006155	MYIVDPWEIYWPNQ-UHFFFAOYSA-N	421.379	3.630	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1	734467753	BEQCSHFCWYORMJ-HZHRSRAPSA-N	414.509	3.543	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1NC(=O)OC(C)(C)C	740919674	GVLXLABPCJYTMA-YLJYHZDGSA-N	414.550	3.508	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nc(-c2ccccc2)n[nH]1	741416647	SQXHPEXCPNAINY-UHFFFAOYSA-N	404.518	3.804	10	20	HHCD	
CCn1nc(C)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1Cl	741908592	HBTWGGGMVBQFPD-BETUJISGSA-N	408.905	3.548	10	20	HHCD	
Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-]	742800878	VRWBRWCDEDLUOY-HNNXBMFYSA-N	405.401	3.903	10	20	HHCD	
C[C@@H]1CN(Cc2c(O)ccc3ccncc23)CCN1C(=O)Cc1cccc(Cl)c1	743384038	VXMFGELYIHQEQD-MRXNPFEDSA-N	409.917	3.869	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)Oc1ccccc1F	743555371	WUIHVKAPHTXLID-MRXNPFEDSA-N	403.523	3.646	10	20	HHCD	
CC[C@H]1CCCCN1CCNC(=O)N(CC)Cc1cc(Br)ccc1O	745831165	TUHHNPASWWEKAF-KRWDZBQOSA-N	412.372	3.951	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)NC3CCCCC3)CC2)c1O	748049613	MEGCYMFRBGCCDL-UHFFFAOYSA-N	407.942	3.845	10	20	HHCD	
COc1cc(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c(O)c(C(C)(C)C)c1	754725769	CVSFIBDZWSTPKD-GOSISDBHSA-N	401.503	3.765	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1	756077563	DXUYOHONSYFUIV-CVDCTZTESA-N	420.557	3.776	10	20	HHCD	
CN(Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)OCO2	756653122	AVJRHZZHDFBFOD-UHFFFAOYSA-N	411.771	3.700	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C\c3ccc(Cl)s3)CC2)cc(OC)c1OC	759242025	LLACMKYSJMGCGO-ALCCZGGFSA-N	422.934	3.789	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1ccc(Cl)c(C(F)(F)F)c1	759590592	XGHNGVJCRZSQGG-KXFIGUGUSA-N	415.751	3.965	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1	765230035	NWJGYKKJUXBWKA-CVDCTZTESA-N	424.614	3.560	10	20	HHCD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CCC2	765242265	PPRBLPXZLYQOLB-UWJYYQICSA-N	411.550	3.738	10	20	HHCD	
CCCN(CCc1cccs1)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	766027956	QJSOJMFIXKMVMU-UHFFFAOYSA-N	416.587	3.943	10	20	HHCD	
CCCCCn1cc(CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(C)n1	767301194	NHTJEIOGWRCUCH-UHFFFAOYSA-N	417.529	3.561	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c(C)n1-c1ccccc1Br	768444138	DMHVVYOGXXWVHP-RZFZLAGVSA-N	411.365	3.696	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2F)C[C@@H](C)O1	769384257	JXTAOYZESHUEDK-SOLBZPMBSA-N	407.530	3.538	10	20	HHCD	
CCC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	771217020	WKRXJJPPHVJXPW-UHFFFAOYSA-N	407.514	3.771	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1	772149564	QBLXWUIAOLBNLQ-RTBURBONSA-N	410.562	3.812	10	20	HHCD	
C[C@H]1CN(c2ccnc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2)C[C@@H](C)O1	772151184	HTLJXGCGWAWHAZ-KDURUIRLSA-N	408.546	3.616	10	20	HHCD	
CCn1ncc2c(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc(-c3ccccc3)nc21	773742602	XOXHWSLBXCAQLE-OAHLLOKOSA-N	416.481	3.890	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3ccc(SC(C)C)cc3)nc12	775352415	LPUQGJMQJWHLIF-AWEZNQCLSA-N	414.531	3.963	10	20	HHCD	
COc1cccc(-c2noc(SCC(=O)N[C@H](C)c3ccc(N(C)C)cc3)n2)c1	775409317	DYXHZOCIIXCUOW-CQSZACIVSA-N	412.515	3.781	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1OC	775667005	CKFCEGLEZZIWTB-HNNXBMFYSA-N	417.481	3.582	10	20	HHCD	
NC(=O)Cc1ccc(NCc2cc(Br)cc(Br)c2O)cc1	775746730	MEEISVQTFKSLSK-UHFFFAOYSA-N	414.097	3.557	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(Cl)cc(F)c2O)cc1	775809760	FCDXXDHFXHBZGB-UHFFFAOYSA-N	400.903	3.505	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccc(I)cc1)c1ccc(N(C)C)cc1	775833392	CMPFTXFQTLZFNK-CYBMUJFWSA-N	423.298	3.647	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1	777266143	NTFSBFUHAKCNHU-MJGOQNOKSA-N	404.555	3.541	10	20	HHCD	
Cc1cc(CC(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c(C)n1-c1ccc(Cl)cc1	779076027	NQFJOYSQVUJQDN-LEWJYISDSA-N	414.933	3.887	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(O)c1O	780938521	MSHWSMQXTUTZNR-UHFFFAOYSA-N	406.841	3.690	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)CCO2)c1ccc(N)cc1	783487569	WXYYKSLHGJMZOD-INIZCTEOSA-N	401.466	3.937	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc([S@](C)=O)c1)c1ccc(N)cc1	783487651	XYNBHQQUMCMMKD-DFYVNMARSA-N	421.522	3.739	10	20	HHCD	
C[C@H](NCc1cccc(CN2CCOCC2)c1)c1cc(Br)ccc1O	783647761	RQKIITWAKGEPTH-HNNXBMFYSA-N	405.336	3.838	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(-c3ccccc3)ns2)cc1	784664012	BTNCEWZONVNTFR-UHFFFAOYSA-N	408.527	3.911	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(F)cc1C(F)(F)F	786751282	GSWZQYCHCDGZHD-UHFFFAOYSA-N	412.383	3.605	10	20	HHCD	
CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	787871650	CJQCLQHISUUVIG-SFHVURJKSA-N	409.530	3.568	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1	791037969	JWAMZEHSLPNXCH-FNORWQNLSA-N	416.518	3.751	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c(C)n1-c1ccc(Br)cc1	791171740	ALXKBARGNGFSLH-KBPBESRZSA-N	423.376	3.838	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c(O)c1	794376771	BFFGODYSTQGJAW-FQEVSTJZSA-N	412.486	3.552	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c(F)c1	795606733	MHLFYXCQQDNCDY-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cc2Cl)C1	799994916	RLHYHJGBTJQMNQ-TYCQWZJGSA-N	421.969	3.666	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCN(CC(F)(F)F)CC3)c2C)cc1	800742192	XXLSKXLXLFNWNL-UHFFFAOYSA-N	423.479	3.855	10	20	HHCD	
Cc1cccc(C)c1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	805674646	DKMBEWKLVFNGPO-UHFFFAOYSA-N	419.525	3.808	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1F	807266262	VKKNXZLQEVYDFK-HXUWFJFHSA-N	403.473	3.647	10	20	HHCD	
FC(F)(F)c1nnc2n1CCN(Cc1ccc3c(c1)CCN3Cc1ccccc1)C2	809578328	KCLIUOIIIMNSCF-UHFFFAOYSA-N	413.447	3.875	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1nc2ccccc2cc1Cl	811291929	MQBBFRGJKKKOCU-UHFFFAOYSA-N	411.889	3.770	10	20	HHCD	
CCOCCCn1c([C@@H](C)CC)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812198525	GPTMHRGXPOKANB-IBGZPJMESA-N	415.582	3.944	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@](CO)(c4ccccc4)C3)cc2)CC1	813062404	MAMSIMFONIKPNZ-VWLOTQADSA-N	407.558	3.769	10	20	HHCD	
CCOC1CC(CN[C@@H](CCc2ccccc2)c2ccccc2O)(N2CCOCC2)C1	815621032	JQMPQQPOGRYDIH-NEQFMPMPSA-N	424.585	3.926	10	20	HHCD	
COc1cccc(C(=O)CCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	815655310	OGLGNYMKSWDXBB-UHFFFAOYSA-N	424.541	3.573	10	20	HHCD	
NC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1	913332468	UYFSZLYSCQEKEK-UHFFFAOYSA-N	402.410	3.996	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)Cc3nnc4n3CCCCC4)c2C)cc1	915269590	VCCLNIQCGNQNNU-UHFFFAOYSA-N	407.518	3.693	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c2ncccc2c1	917911573	HDJDOPUQPFBUNK-UHFFFAOYSA-N	413.568	3.575	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1	918071403	ZGGXROQYJWQHCZ-QFIPXVFZSA-N	422.573	3.582	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCCN1C(=O)c1ccco1	918486032	MEUSAZGWOGSWQV-NRFANRHFSA-N	409.530	3.923	10	20	HHCD	
CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCc1ccc(N(C)C)cc1	919883761	NMORQAAKUHHYQR-VWLOTQADSA-N	417.553	3.906	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C	920920866	NLMAJUCQKVRWDD-UGKGYDQZSA-N	404.599	3.640	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)c(C)n1-c1ccccn1	920960685	SDJAQHGGTBCKKL-MRXNPFEDSA-N	404.470	3.937	10	20	HHCD	
CN1CCN(c2ccc(CNCCCCc3ccc([N+](=O)[O-])cc3)cc2F)CC1	1318777728	MSTBABILOYRRDJ-UHFFFAOYSA-N	400.498	3.598	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1coc2cc3c(cc12)CCC3	16134613	PXNXYRUKGUEZMI-UHFFFAOYSA-N	404.510	3.959	10	20	HHCD	
O=C(NC1CC1)c1ccc(NCc2ccc(N3CCSCC3)cc2)c([N+](=O)[O-])c1	52428594	ZKXGUEHBXZQKSE-UHFFFAOYSA-N	412.515	3.652	10	20	HHCD	
COC(=O)[C@@H](C)CN(C)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	110226458	FSBWYIADXYVPIJ-LBPRGKRZSA-N	407.308	3.738	10	20	HHCD	
C[C@H](NC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1)c1ccc(N2CCOCC2)cc1	140919922	VZDIYCYZJYCLSG-SELNLUPBSA-N	409.530	3.756	10	20	HHCD	
CCc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1	145657415	UFPSOXLCWGZEAX-GOSISDBHSA-N	404.514	3.762	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)cc1	303447482	BXIUJMXLMYOSPJ-FQEVSTJZSA-N	409.436	3.908	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(Cc2ccc(F)cc2)CC1	725866370	QJVQDUBZHRBTIQ-UHFFFAOYSA-N	411.521	3.827	10	20	HHCD	
Cc1cccc(C)c1OC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	726240802	ZWJDFTGMEDYAJV-PMACEKPBSA-N	411.546	3.968	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3cccc(OC(F)(F)F)c3)SC2=S)CC1	728083319	MIUDNTPAXSPWSV-GXDHUFHOSA-N	402.463	3.881	10	20	HHCD	
COC(=O)CCc1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	729579005	SYZBEQWFNRFZPZ-UHFFFAOYSA-N	411.502	3.591	10	20	HHCD	
COC(=O)c1ccc(NC(=S)NCCCN(C)c2ccccc2)c(OC(F)F)c1	731955102	OFDVNGRJWMIPGN-UHFFFAOYSA-N	423.485	3.888	10	20	HHCD	
CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CCN(c2ccccc2)C1=O	732120575	SWMLLKHDIDCHRX-NRFANRHFSA-N	402.498	3.757	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1C)c1cccc(OC)c1	734521834	HOXHPGJDTLLUBV-QHCPKHFHSA-N	412.578	3.952	10	20	HHCD	
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)c(C)n1-c1cccc(F)c1	736410989	UXPUGYBFGDRIDE-UHFFFAOYSA-N	403.797	3.839	10	20	HHCD	
COC(=O)CCN(C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C1CCOCC1	742962940	XVCXRFCMOCMDKW-UHFFFAOYSA-N	418.921	3.932	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccn(CCc3ccncc3)n2)C2CC2)cc1	743188908	WDOMTACBRMQOAD-UHFFFAOYSA-N	404.518	3.783	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C	745827327	FKVBUGJLHMVTTP-LJQANCHMSA-N	404.555	3.602	10	20	HHCD	
CSc1nc(C2CC2)nc(C)c1C(=O)NCc1ccc(N2CCSCC2)cc1	746132510	HALUTUNHTMIFEH-UHFFFAOYSA-N	414.600	3.868	10	20	HHCD	
CCn1cnnc1-c1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	750598203	KWLIHQXJVYCYTD-KRWDZBQOSA-N	420.517	3.684	10	20	HHCD	
COCCN(CC(=O)N(C)Cc1ccc(Cl)s1)c1ccc(OC)c(OC)c1	751480183	BMOWHRIXPQEUBS-UHFFFAOYSA-N	412.939	3.530	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	752232714	FVVYNGBWSNSJRZ-UHFFFAOYSA-N	411.911	3.833	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4cccc(Cl)c4o3)cc2)C1	753203536	IVISGNFWAJOPDR-MRXNPFEDSA-N	411.889	3.718	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c1	756756927	AOZNISKAPHHXTQ-UONOGXRCSA-N	411.420	3.699	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](CCO)c2ccccc2Br)c1	757639464	PCBTURPZWGZBNF-SJCJKPOMSA-N	408.292	3.716	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)CC2)cc(OC)c1OC	759219902	GFBBGKSHEAXJLK-PXNSSMCTSA-N	402.535	3.599	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)c2c1	760430422	ZXQJDYKRMURNBN-BTYIYWSLSA-N	416.518	3.668	10	20	HHCD	
CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nnc1-c1ccc(F)cc1	768403915	SRYCRAVFTDXZBJ-UHFFFAOYSA-N	413.522	3.579	10	20	HHCD	
CN(CCOc1ccc(OCc2ccccc2)cc1)Cc1cc2c(cc1O)OC[C@@H]2O	768447331	OFSOAWBDBKQAQE-DEOSSOPVSA-N	421.493	3.908	10	20	HHCD	
C[C@H](N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1)C(F)(F)F	769553840	HWQBHAFCTCBHSB-HNNXBMFYSA-N	400.445	3.654	10	20	HHCD	
CCOC(=O)CC[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1	770381190	JLMNCZLHMCDXNY-CYBMUJFWSA-N	400.313	3.719	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(N(C)C)cc1	773083390	GIFRQZBNSWYFKC-ZDUSSCGKSA-N	402.438	3.733	10	20	HHCD	
CCC(CC)(C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccc(OC)c(OC)c1	773762309	MXASGAAXKXBWKJ-HNNXBMFYSA-N	401.503	3.920	10	20	HHCD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c(C)c1	774356687	KRHVQENNEABAFY-AWEZNQCLSA-N	402.516	3.594	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)c(C)c(C)c1O	775291953	STLZNJHFKDMURI-UHFFFAOYSA-N	414.277	3.579	10	20	HHCD	
CCOc1cccc([C@H]2C[C@H]2NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	775773961	LVOLYEHWRGQQRP-DNQXCXABSA-N	423.557	3.649	10	20	HHCD	
COc1cccc([C@H](C)N2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)c1	776244375	IWUUILURNYGVGP-MOPGFXCFSA-N	410.562	3.911	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2nc(Br)cs2)cc1	779617242	AVYLSODGTOXXED-HNNXBMFYSA-N	424.364	3.793	10	20	HHCD	
CC(C)N(C)C(=O)[C@@H](C)OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	781986996	HVSCETSIPBORMU-GFCCVEGCSA-N	413.857	3.528	10	20	HHCD	
CC(C)[C@@H]1C[C@H](CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1	782012448	DNIAFLJDOVSNLC-PBEJRMEISA-N	408.970	3.968	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	782578621	LGLHUXWYRXOIHA-RBUKOAKNSA-N	414.550	3.698	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CC1	783505529	SPPVGGHNSUBJPX-SFHVURJKSA-N	407.530	3.542	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)cc1F	784023439	CWJHETHBNPPCHQ-UHFFFAOYSA-N	409.255	3.671	10	20	HHCD	
CCCCCOc1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1	786257913	WOLMKVJHGIPBQG-UHFFFAOYSA-N	423.557	3.854	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(OC)cc3OC(F)F)CC2)cc1	788768342	DPHTUTJDNZFBIF-UHFFFAOYSA-N	406.429	3.658	10	20	HHCD	
CN1CCCC(C)(C)[C@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	790538917	LKZWLBJGBYGHQO-LJQANCHMSA-N	424.536	3.676	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(Br)c(F)cc2C)c1	790849660	ULDYUAYKVQVWSF-JTQLQIEISA-N	418.284	3.650	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cnc1C	794003386	VWUNGLOWAPGGEU-UHFFFAOYSA-N	417.512	3.718	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c(O)c1	794377048	LCZGOQGRAPERJQ-UHFFFAOYSA-N	402.454	3.588	10	20	HHCD	
C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(C(F)(F)F)c1O	798183597	OHQBWXDUNCEONM-KNBMTAEXSA-N	408.464	3.945	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCCOC[C@H]3CCOC3)cc2Cl)C1	799933127	FEVKYUGQFONOLH-PKOBYXMFSA-N	423.985	3.819	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c1	801588105	GQOGKIPJDNPKSC-UHFFFAOYSA-N	423.903	3.793	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1F	804852095	ZDMIMCJWCILYDN-AWEZNQCLSA-N	421.463	3.786	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(O)c1	813797126	HYINJRPCZMHMRF-INIZCTEOSA-N	419.522	3.522	10	20	HHCD	
CCCNC(=O)NC(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814772705	DYJYVQZXEUGKKX-ZSOIEALJSA-N	419.553	3.841	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc2c(c1)CCCC2=O	815104483	LITYXAQICDIXAU-UHFFFAOYSA-N	403.526	3.990	10	20	HHCD	
Cc1cc(CCNC(=O)C[C@@H](NC(N)=O)c2cccs2)c(C)n1-c1ccccc1	822093778	KMORFMVQVFEIJS-LJQANCHMSA-N	410.543	3.614	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1	915290438	IFSKWXDURZJUJI-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccccc2Cn2cncn2)cc1	916393642	GJYQFEZXDUBDNO-UHFFFAOYSA-N	406.534	3.514	10	20	HHCD	
CC(C)CCOc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	917832620	DGZGVRNEMBCVBW-OAQYLSRUSA-N	423.557	3.743	10	20	HHCD	
COc1cccc(CN(C)C(=O)COC(=O)c2sccc2-n2c(C)ccc2C)c1	919568969	SRQMAUSDISZSKS-UHFFFAOYSA-N	412.511	3.980	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(C)n(-c4cc(C)on4)c3C)CC2)cc1	1319497073	ZDJBOUUBXKGFLX-UHFFFAOYSA-N	408.502	3.752	10	20	HHCD	
C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1)c1ccc(N(C)C)cc1	1338301733	JCOVZJQSELAHME-HNNXBMFYSA-N	404.470	3.597	10	20	HHCD	
COc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC	15360388	LFGIDVUJWDBPJD-UHFFFAOYSA-N	404.532	3.515	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	97576228	KPCWBAXITCJJEK-GMAHTHKFSA-N	420.509	3.864	10	20	HHCD	
C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	109179745	KGCYMGOVXUPPET-HNNXBMFYSA-N	408.420	3.955	10	20	HHCD	
CC(C)NC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	148487226	CDLFGZKBJYOFDY-KRWDZBQOSA-N	410.518	3.544	10	20	HHCD	
CCc1cc(O)nc(-c2ccc(N[C@@H](C)c3ccc(N4CCOCC4)cc3)nc2)n1	301174431	LOSGTQQHZSODHZ-INIZCTEOSA-N	405.502	3.816	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C	726725573	ATWONGRXPUOODO-UHFFFAOYSA-N	417.456	3.629	10	20	HHCD	
CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731364841	PKNFRBFNQGRXLF-HKUYNNGSSA-N	420.573	3.898	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)Cc2ccccc2)cc1F	731403954	BWLHHCDVAQMJMT-UHFFFAOYSA-N	400.542	3.945	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2cccc3c2OCCCO3)C1	733335002	XTGBFNDBVSBAEB-LJQANCHMSA-N	402.922	3.961	10	20	HHCD	
C[C@H](CCC1CCCCC1)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	734537128	WWPXRZZEZRXBNY-WIYYLYMNSA-N	414.594	3.937	10	20	HHCD	
CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(N2CCCCC2)cc1	741712165	RHCUNAWXQBZNSR-UHFFFAOYSA-N	420.557	3.640	10	20	HHCD	
COCCOC[C@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	743383233	ORBBOVADUBQGNV-SFHVURJKSA-N	423.509	3.959	10	20	HHCD	
O=C(NCCCC(F)(F)F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	743554553	HXJFYMPQUYLMNG-UHFFFAOYSA-N	413.362	3.684	10	20	HHCD	
C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)Cc1ccccc1O	749839779	FFYCFWKNUHPUCJ-ZDUSSCGKSA-N	412.471	3.883	10	20	HHCD	
CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(N2CCSCC2)cc1	752866546	SYOPJTQRZLBIBN-UHFFFAOYSA-N	418.632	3.575	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)c2C)c1	753027876	XYYKXRJZWRKBHE-QHCPKHFHSA-N	416.525	3.719	10	20	HHCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1noc(Cc2ccccc2)n1	753050851	NBPKMPBHRZFDEF-HNNXBMFYSA-N	406.486	3.805	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(CCSc3ccccc3)C2=O)c[nH]1	753138871	PXBNOKGFQSEXMJ-GDNBJRDFSA-N	404.538	3.795	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1	753645621	WWXFSKWIENNSPW-OAHLLOKOSA-N	420.444	3.574	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1	754154948	DMLAIIRVAJGFRI-OAHLLOKOSA-N	401.438	3.585	10	20	HHCD	
CC(C)CN1CCO[C@H](CN[C@H](C)c2cc(Br)cc(Cl)c2O)C1	756355673	QRKIYKOSEKJNRI-TZMCWYRMSA-N	405.764	3.816	10	20	HHCD	
C[C@H](NCCN1CCSCC1)c1cc(Br)cc(Br)c1O	756573685	BWJDYPBGZHBPJZ-JTQLQIEISA-N	424.202	3.617	10	20	HHCD	
COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H](C)c1ccc(C)cc1O)CC2	756707406	OUITUWBZYWYDGG-QGZVFWFLSA-N	412.530	3.734	10	20	HHCD	
CC1(C)Cc2cc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2O1	759538551	JHILBTHBAQHQCG-UHFFFAOYSA-N	409.530	3.931	10	20	HHCD	
C[C@@H](NC(=O)CNC(=O)CSc1ncc(C(C)(C)C)s1)c1ccc(F)cc1	759719733	MDMXRWHSZJYAGP-GFCCVEGCSA-N	409.552	3.665	10	20	HHCD	
COc1cc(N2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc(OC)c1OC	759886584	NAJTWZFNIKKTQV-OAHLLOKOSA-N	401.463	3.504	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cn1C	760600602	HOOJFIPMXKCERC-UHFFFAOYSA-N	423.491	3.574	10	20	HHCD	
CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)NCc1ccc(N2CCSCC2)cc1	763589815	OVSWDGYQGUYVMF-UHFFFAOYSA-N	421.570	3.972	10	20	HHCD	
Cc1ccc([C@H](CNC(=O)NCc2cccc(Br)c2O)N2CCCC2)o1	764768875	IYERJNHXFLLRAI-INIZCTEOSA-N	422.323	3.692	10	20	HHCD	
C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1	764816182	FSJOALWHSITBMN-QGZVFWFLSA-N	419.566	3.917	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cnc(Cl)c4ccccc34)cc2)C1	766434778	YDZNAVKFOKBLSJ-INIZCTEOSA-N	422.916	3.520	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(CN4CCOCC4)n3)c2C)cc1	767888547	HCPLSALVJFIZHL-UHFFFAOYSA-N	420.513	3.582	10	20	HHCD	
CC(C)(C)c1nnc2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cn12	769612967	LCQRYTKJNUMMNI-GOSISDBHSA-N	408.502	3.554	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c1	769769761	OSSRRYFDMXPKAW-GOSISDBHSA-N	408.907	3.688	10	20	HHCD	
Cc1cccc([C@H]2CCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)c1C	769923402	MLWPAQDXVSPPLH-LJQANCHMSA-N	402.516	3.748	10	20	HHCD	
C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(N2CCOCC2)cc1Cl	773070206	UVTGAWGNOYMEJI-KKSFZXQISA-N	405.970	3.761	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	773757749	YYAVAJFJACOMFV-GFCCVEGCSA-N	405.376	3.663	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(C)c(I)c2)c1O	774914435	KGNJYELTJYNHNI-UHFFFAOYSA-N	414.199	3.834	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCN(c3cc(Cl)ccc3C)C2)c1O	775008909	WVCSHBILSKEKDF-CQSZACIVSA-N	405.882	3.887	10	20	HHCD	
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)cc1	775527974	AGZVYCKHHVTQBN-UHFFFAOYSA-N	415.515	3.862	10	20	HHCD	
CC(C)C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCO1	776896556	OIHDDQIUVTULKT-KVPLUYHFSA-N	421.557	3.832	10	20	HHCD	
Cc1nc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)s1	782425197	RYDBHFDLJKQPOT-UHFFFAOYSA-N	412.515	3.586	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1F	785432716	HUTWBAPQJLPCQF-LJQANCHMSA-N	405.901	3.675	10	20	HHCD	
C[C@H](Cc1ccccc1F)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	787978362	YIKRFCCPVBDPGZ-QGZVFWFLSA-N	412.505	3.940	10	20	HHCD	
CCC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1	792052390	SEZGOSIZPWXEQD-LEOXJPRUSA-N	411.546	3.786	10	20	HHCD	
COC(=O)[C@H](C)N(Cc1cc(Br)cc(Br)c1O)C1CCC1	792187847	TXZLLCQJYIGHQK-VIFPVBQESA-N	421.129	3.833	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(Cl)c1Br	792227889	AATDXSGDSDUWOF-UHFFFAOYSA-N	424.726	3.732	10	20	HHCD	
CCc1nn(C)c(CC)c1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	792535281	JZHVIWULPJIPPY-UHFFFAOYSA-N	410.484	3.745	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H]3C[C@H](C)c4c(C)cccc43)cc2)CC1	792606485	GDRVOEKTPPYUDV-SIKLNZKXSA-N	419.569	3.961	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(Br)n1	793073150	OQUCKWCKLIOAMN-UHFFFAOYSA-N	420.307	3.626	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(Br)c(F)cc2O)s1	794827075	HAQVCKRQHUKYQY-VIFPVBQESA-N	422.341	4.000	10	20	HHCD	
C[C@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1	798000131	YUKHDYXUAMUEKM-SFHVURJKSA-N	419.566	3.787	10	20	HHCD	
C[C@@]1(CNC(=O)NCCCSc2nccs2)CCN(Cc2ccccc2)C1	798437984	RLWRDZVZVQZNEP-FQEVSTJZSA-N	404.605	3.837	10	20	HHCD	
CN(CCCN1CCCC1)Cc1cc(Br)cc(Br)c1O	798958376	WOAIDXYVYYECGY-UHFFFAOYSA-N	406.162	3.835	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCc4c[nH]nc4C3)cc2Cl)C1	799949485	PZUHJNXMZPADOQ-YOEHRIQHSA-N	401.942	3.656	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](N2CCCC2=O)C1	801921512	FKTNBDKWGWXQKA-FQEVSTJZSA-N	418.545	3.574	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(F)c(F)cc2N2CCOCC2)cc1	806706462	JZQKYEUARARQPI-UHFFFAOYSA-N	418.488	3.969	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21	807101632	UREUMSAPLOSWGF-HSZRJFAPSA-N	405.542	3.746	10	20	HHCD	
C[C@H](NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1Cl	810245440	BWTCSAAUUDVZQB-AMHTUMDSSA-N	400.950	3.993	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1nc(C2CC2)ncc1Br	813810001	ZEZAPJMHJBEJIT-UHFFFAOYSA-N	401.308	3.647	10	20	HHCD	
COc1cc(Br)c(/C=C2\SC(=S)N(C3CCC3)C2=O)cc1O	814185359	FFRICWOKCOKNAL-MLPAPPSSSA-N	400.319	3.917	10	20	HHCD	
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(Cc3ccc4ccccc4c3O)C2)CC1	816609617	HNVVPEZCCMJHBO-HXUWFJFHSA-N	411.546	3.672	10	20	HHCD	
CN(C)c1ccc(CNc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)c(C(F)(F)F)c1	864044938	NXONQPYANCOUHP-QGZVFWFLSA-N	406.408	3.654	10	20	HHCD	
CCN1CCN(Cc2ccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)cc2)CC1	917122918	KNTWPRXSBPOSGS-UHFFFAOYSA-N	417.557	3.879	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NCCC(C)(C)C	917191797	OPPCGHNBTIPPMD-UHFFFAOYSA-N	403.548	3.986	10	20	HHCD	
Cc1ccc(/C=C\S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	917916802	CIIYDCPDWRORPK-JSSIJEINSA-N	418.534	3.838	10	20	HHCD	
Cc1cc(OC(C)C)ccc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	918038953	OBTDDUZWMRKKEM-LJQANCHMSA-N	424.545	3.806	10	20	HHCD	
CN(Cc1ccn(-c2ccccc2)n1)C(=O)NCc1ccc(N2CCSCC2)cc1	918213467	LSQVXMJBBYAUGM-UHFFFAOYSA-N	421.570	3.767	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1	919813367	TXXWYZOXBZGRML-UHFFFAOYSA-N	423.903	3.793	10	20	HHCD	
C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)c1ccc(N2CCOCC2)cc1	920882812	ZPIWVISWVPHAMC-SFHVURJKSA-N	421.566	3.990	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1c(Cl)ccc2nonc12	1327158831	GSQINYOVCFYARN-UHFFFAOYSA-N	422.894	3.514	10	20	HHCD	
CCCCN(C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1	59937158	GFPQOLZYGFNHNT-LJQANCHMSA-N	406.523	3.663	10	20	HHCD	
Cc1ccc(NC(=O)CSCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1	116034548	FDYFFUHEWOBGLM-UHFFFAOYSA-N	411.571	3.973	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCNC(=O)CC1CCCCC1	726261589	PVSUGUWTXWHUTQ-UHFFFAOYSA-N	414.594	3.905	10	20	HHCD	
COc1cccc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)c1	726801026	CNEXMXTWYURZNT-UYRXBGFRSA-N	413.520	3.910	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cc(OC)cc4c3O[C@H](C)C4)SC2=S)cn1	727860985	LYGQISBSUKSIQD-FNQVVVRFSA-N	401.513	3.641	10	20	HHCD	
CCN(CC)C(=O)COc1cccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	729037952	UMJISEWNIQDBSS-HNNXBMFYSA-N	415.490	3.531	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3ncc(C)o3)c2)cc1F	731409275	OTKYOVCYBLQZBJ-UHFFFAOYSA-N	424.476	3.890	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@H]2CCOC2)c(C)n1-c1ccccc1Br	731652253	MBACZHUTVLLTGW-INIZCTEOSA-N	421.335	3.640	10	20	HHCD	
C[C@@H](NC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1O)c1ccccc1	731842792	FJWSWFYACRXPIM-GOSISDBHSA-N	417.509	3.954	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	734405910	NDNYAMHRTDLYOJ-UHFFFAOYSA-N	410.468	3.944	10	20	HHCD	
Cc1ccnc(-c2cccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)n1	734650937	JNJLWWIYOBNVKO-UHFFFAOYSA-N	417.513	3.953	10	20	HHCD	
COC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1Cl	735753249	OKKZWQIDBZDZAD-UHFFFAOYSA-N	417.893	3.926	10	20	HHCD	
COC(=O)c1cccc(-c2nc(CN3CCN(c4ccc(OC)cc4)CC3)cs2)c1	743835697	IONCZFMURMSQDN-UHFFFAOYSA-N	423.538	3.928	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1nc(-c2cccs2)cs1	746803820	ZHJQGFWEKPVYFG-UHFFFAOYSA-N	413.524	3.711	10	20	HHCD	
CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1	747091642	LULZMDGRTICICO-XMMPIXPASA-N	410.514	3.695	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCN([C@H](C)C(F)(F)F)CC3)cc2)CC1	749568929	IHAPAHMKPIRHDL-QGZVFWFLSA-N	412.500	3.701	10	20	HHCD	
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	749697304	VKAQDCCZOHFTQX-DLBZAZTESA-N	421.501	3.946	10	20	HHCD	
CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	750298218	DCSWRZLQSDMRRG-ICSRJNTNSA-N	409.571	3.650	10	20	HHCD	
CCCN(CCS(=O)(=O)c1cccc(Br)c1)Cc1ccccc1O	750823050	NFLIUFAQHSCTRR-UHFFFAOYSA-N	412.349	3.841	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2ccc3c(c2)NC(=O)C3)c(C)n1-c1ccccc1	752045603	WPICATURVLKJJT-UHFFFAOYSA-N	402.450	3.557	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@](C)(O)c3cccc(C(F)(F)F)c3)CC2)cc1	754852225	UQQZYRMZCKMLFD-NRFANRHFSA-N	422.447	3.707	10	20	HHCD	
C[C@H]1C[C@@H](NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2c(O)ccc(F)c21	756732167	HLGUCJGSZUPNFD-HNAYVOBHSA-N	418.534	3.664	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cc3c(cc2Br)OCCO3)c1	757627717	HQYJRFJRZBGJJW-SNVBAGLBSA-N	408.248	3.886	10	20	HHCD	
CN(C(=O)NCCCSc1nccs1)C1CCN(Cc2ccccc2)CC1	759585940	LPYLSWCHGGZWLO-UHFFFAOYSA-N	404.605	3.931	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccn(-c4ncccc4F)n3)cc2)CC1	760077706	BWSFNYPBVWIWBL-UHFFFAOYSA-N	408.481	3.964	10	20	HHCD	
C[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(N2CCCCC2)c(F)c1	764989128	SYNWTOMWALVHGY-LJQANCHMSA-N	411.569	3.814	10	20	HHCD	
CC[C@H](NCc1ccccc1CS(=O)(=O)NC(C)C)c1ccc(N(C)C)cc1	765779275	SNNQYVGPVMLAGR-QFIPXVFZSA-N	403.592	3.821	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H]1COCCN1CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	766278795	JDHHXAVAFGZMFE-OAQYLSRUSA-N	410.493	3.829	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1Br	766337050	SVSOWHWKQLFLLV-UHFFFAOYSA-N	424.726	3.766	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)COCc1ccccc1	769102254	YDWNVRGQIWGKNZ-NRFANRHFSA-N	413.518	3.595	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccn(-c4ccccc4)n3)SC2=S)c1	773143901	GIEZLIARICUREG-SFQUDFHCSA-N	407.476	3.976	10	20	HHCD	
CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773848615	STQKTUKTBUFHKL-ZDUSSCGKSA-N	418.335	3.893	10	20	HHCD	
Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775404712	NHADVOVMRVKIKK-INIZCTEOSA-N	409.559	3.876	10	20	HHCD	
COc1ccc(OC)c2c1CN(Cc1cc(Br)cc(C)c1O)C[C@H]2O	775647436	VODRQMYJLARMHY-OAHLLOKOSA-N	408.292	3.530	10	20	HHCD	
Cc1cn2c(=O)c(C(=O)OCC(=O)c3cc(C)n(-c4ccccc4)c3C)cnc2s1	775893981	ADLBGYWCVXSJSK-UHFFFAOYSA-N	421.478	3.512	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2cccc(NS(C)(=O)=O)c2)c1O	779004708	YCDAAWUBKCIEJB-LBPRGKRZSA-N	413.337	3.685	10	20	HHCD	
O=C([C@@H](O)Cc1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	779019315	RBRRATWCTLBEFS-ICSRJNTNSA-N	423.431	3.522	10	20	HHCD	
O=C1CCCN1CC[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21	780778614	CGLBKLJSGCKACH-FQEVSTJZSA-N	423.532	3.779	10	20	HHCD	
Cc1cc(C(=O)CN(CCO)C2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1	781981847	IYBUAOAYMNOJGR-UHFFFAOYSA-N	424.463	3.769	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3NCc3ccco3)c2)CC1	783917520	AOAPFQYPIBSUNE-UHFFFAOYSA-N	418.497	3.813	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)CC)ccc1Cl	784026185	RCVMIBMKIGHPPB-UHFFFAOYSA-N	417.893	3.771	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC[C@H]1CCCCS1	784211732	BHAMWZRDVPJOHT-MRXNPFEDSA-N	417.497	3.627	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCCc2nc(-c3ccc(F)cc3)no2)c1	784454505	OXTYYIKCKLUUQN-ZDUSSCGKSA-N	414.437	3.583	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Cc3coc4cc(C)c(C)cc34)cc2)CC1	786256574	UMRWOOZQJFRRAM-UHFFFAOYSA-N	419.525	3.577	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	788088302	KQGMRELXDWZPLC-BUVFEPMLSA-N	410.514	3.521	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)ccc1-n1cnnc1	789990627	TUKUJKVNGKAHRG-UHFFFAOYSA-N	415.291	3.706	10	20	HHCD	
CNC(=O)COc1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c(C)c1	794840132	JCHVYSCYVDQIQB-MRXNPFEDSA-N	417.937	3.783	10	20	HHCD	
O=S(=O)(NC1=NCCC1)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1	796388351	PEQWXHUAJFIXMF-UHFFFAOYSA-N	414.314	3.782	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c(O)c1	797389943	GIFZFLVOZGOWFM-UHFFFAOYSA-N	412.392	3.601	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nn(-c2ccccc2)cc1C	802610072	PQNXQQLERUWCAX-UHFFFAOYSA-N	406.486	3.654	10	20	HHCD	
CCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	804236543	UCYLJJHGIBEDOC-LJQANCHMSA-N	415.534	3.645	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(F)c(Cl)c2)cc1F	804851616	JBQZZMVOPNVIBB-UHFFFAOYSA-N	423.891	3.739	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2oc(O)nc2c1	805176052	BLSXDTOBSHOUKG-UHFFFAOYSA-N	403.385	3.534	10	20	HHCD	
CC[C@@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)c1cccc(Cl)c1O	806139282	MRIRIKSKOXQVFA-HXUWFJFHSA-N	407.986	3.811	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(N(C)C)cc1	807678816	JYKALJXXQMGKJZ-LJQANCHMSA-N	422.573	3.579	10	20	HHCD	
CC(=O)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F	808014630	OMPSVMRXIKEMBS-UHFFFAOYSA-N	406.385	3.655	10	20	HHCD	
CSCc1cccnc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	810167632	MUHIPQAXUKZZPU-GASCZTMLSA-N	403.523	3.627	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(N(C)C)c4ccccc4n3)CC2)cc1	810181409	KUWUDKUEFKYPHM-UHFFFAOYSA-N	404.514	3.662	10	20	HHCD	
C[C@@H]1CCCN(c2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)ccn2)C1	812476225	UNIBDJFPMWKEDD-GOSISDBHSA-N	410.587	3.801	10	20	HHCD	
CCN1CCN(c2ccc(CNC3CCN(CCc4ccccc4)CC3)cc2F)CC1	812831401	MJCFSJWNLJRXSK-UHFFFAOYSA-N	424.608	3.764	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1coc(-c2cccs2)n1	813519115	PTOGLYSNTNEONC-UHFFFAOYSA-N	412.515	3.581	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C2CC2)ncc1Br	813800331	RNFRVSVKZHOZAY-UHFFFAOYSA-N	403.324	3.845	10	20	HHCD	
CCc1nc(C)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)o1	814513207	ICRHSCCZWWSBGU-UHFFFAOYSA-N	424.453	3.779	10	20	HHCD	
N=C(NCc1ccc(N2CCSCC2)cc1)NC1CCN(Cc2ccccc2)CC1	849070303	JVNGZWVENVPFHN-UHFFFAOYSA-N	423.630	3.518	10	20	HHCD	
CN1CCc2cc([C@H]3NC(=O)CN3Cc3ccc(OCc4ccccc4)cc3)ccc21	877850010	NWXUOASAVHTAMU-SANMLTNESA-N	413.521	3.889	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cccnc2-n2cccn2)c(C)n1-c1cccc(F)c1	878912786	PFRRIFSXVGAKAI-UHFFFAOYSA-N	418.428	3.854	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC3CCN(C(=O)C(C)(C)C)CC3)c2C)cc1	915628891	NIHMZJCFIPKERZ-UHFFFAOYSA-N	411.546	3.870	10	20	HHCD	
CCOc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OC	916671201	HAJICCFKGREOPG-UHFFFAOYSA-N	417.481	3.516	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccccc3Cl)cc2F)C[C@@H](C)O1	917917837	JDSKZRHUXVGYOZ-OKILXGFUSA-N	412.914	3.571	10	20	HHCD	
Cc1cc(C(=O)NCC(=O)N2CCCCC2)c(C)n1-c1ccc(Br)cc1	918696716	GRXLPSNNINEGHG-UHFFFAOYSA-N	418.335	3.599	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1COc2ccc(F)cc2C1	1328595281	RKAPCKAFAQBZEH-RDJZCZTQSA-N	420.431	3.763	10	20	HHCD	
Cc1ccc(-n2nc(C)cc2NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	1337395180	BLPHWLWKIJZGGZ-UHFFFAOYSA-N	419.529	3.990	10	20	HHCD	
C[C@@H]1CCCN(C(=O)CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	1349194681	XXSKVXKYFWPHAL-GOSISDBHSA-N	401.551	3.885	10	20	HHCD	
CC(C)NC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	54035182	WWGJJNFEOWHHLN-UHFFFAOYSA-N	412.559	3.700	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1	195565025	DINPBQMWCNJVJN-UHFFFAOYSA-N	421.545	3.723	10	20	HHCD	
Fc1ccc(Cc2nnc(NCc3ccc(N4CCOCC4)c(F)c3)s2)cc1	302027245	IONZGDHBTZSSQE-UHFFFAOYSA-N	402.470	3.856	10	20	HHCD	
COc1ccc(CC[C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	726245619	LFLVGGBJTUZERP-MOPGFXCFSA-N	411.546	3.913	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cnn(-c2ccccc2)c1	727247639	GZCVAOJRVQJMKA-UHFFFAOYSA-N	424.507	3.732	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccccc3C(C)=O)ccc21	728637019	GQBYMIFDJGMBPL-UHFFFAOYSA-N	422.481	3.903	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3cnccn3)n2)cc1	728838669	MRWGQPMCBNDWED-UHFFFAOYSA-N	421.448	3.871	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)COc2ccccc2[N+](=O)[O-])cc1	728839784	OIYVBNMPGPINLB-UHFFFAOYSA-N	411.380	3.631	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(CCN(C)C)Cc3ccccn3)cc2)CC1	731119851	RFYIOVSOGDBNNX-UHFFFAOYSA-N	409.578	3.591	10	20	HHCD	
C[C@H](NC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1O)c1ccccc1	731842793	FJWSWFYACRXPIM-SFHVURJKSA-N	417.509	3.954	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NCc3cccc(C)c3)ccc21	732339791	ZUJYXKAVSPBQAH-UHFFFAOYSA-N	408.498	3.686	10	20	HHCD	
CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NCCCSc2nccs2)cc1	735315135	CPSWKQHWUGWIAN-UHFFFAOYSA-N	413.590	3.588	10	20	HHCD	
CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1	740847966	KNCFPIIKJXRKJY-UHFFFAOYSA-N	401.532	3.618	10	20	HHCD	
CCCCN(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	741097716	WVVREGLSVRDZEV-UHFFFAOYSA-N	406.530	3.554	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OCC(F)F)cc3)SC2=S)cc1	743282607	OLMWCJQAHVCCIE-OQLLNIDSSA-N	420.462	3.835	10	20	HHCD	
CCN(CC(=O)Nc1ccc(OC)c(OC)c1)Cc1cc(Br)ccc1O	744427045	WXNZRKGMYINDAS-UHFFFAOYSA-N	423.307	3.633	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1	746767579	YLOMWPWLYMYINO-JOCHJYFZSA-N	408.546	3.555	10	20	HHCD	
CCCOc1c(Cl)cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OCC	747148259	SWLXXMUNUBPRRB-FOWTUZBSSA-N	410.923	3.830	10	20	HHCD	
CCCCCn1nc(C)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	748980285	JQJMJJZZJSDLHD-UHFFFAOYSA-N	411.550	3.577	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cccc(NS(N)(=O)=O)c3)c2C)c1	749342704	UPDOUSMTCKDOBW-UHFFFAOYSA-N	412.515	3.579	10	20	HHCD	
COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1	751355849	IUCOXTZXEMFKIL-UHFFFAOYSA-N	423.918	3.966	10	20	HHCD	
O=C(CCCNC(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754552740	RDLMRYHXEQBLBC-UHFFFAOYSA-N	412.445	3.611	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)c2C)c1	754652243	MBKXTHPDOGMSCD-WBVHZDCISA-N	422.616	3.752	10	20	HHCD	
CCc1noc(CC)c1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	755224564	UPIJTZDJZUCFSH-UHFFFAOYSA-N	422.476	3.869	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)c1C	756548132	IPDNABYLGCADOF-UHFFFAOYSA-N	423.538	3.977	10	20	HHCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)[C@@H](c1ccc(C)cc1)n1cncn1	756769074	JFGYHQRYMGUFDP-XUEUYAKLSA-N	408.502	3.798	10	20	HHCD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	758254025	ONIBXVZTKLBDIL-UHFFFAOYSA-N	423.435	3.907	10	20	HHCD	
C[C@H](O)C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	759610586	MNUGWFVXUHMMHJ-VLCRHTCISA-N	412.530	3.638	10	20	HHCD	
COc1cc(N2CCN(Cc3cccc(OC(F)F)c3)CC2)cc(OC)c1OC	759878852	PBXOEOUXUOLBNV-UHFFFAOYSA-N	408.445	3.636	10	20	HHCD	
CCO[C@@H](C)c1nc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cs1	759886739	QIUWGLIUSDHZGX-HNNXBMFYSA-N	421.563	3.589	10	20	HHCD	
CCCCOc1ncccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761154459	KPLIEAVEJBMNFM-UHFFFAOYSA-N	403.866	3.584	10	20	HHCD	
C[C@]1(c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)CCCO1	763316962	ODIHPYMBUZHGNZ-FWFZHJKVSA-N	421.569	3.991	10	20	HHCD	
CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	765327713	BQJBXEWVNNXNIC-ROUUACIJSA-N	417.575	3.697	10	20	HHCD	
C[C@@H](N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	766137551	LBHPIFGKXCGCBH-BEFAXECRSA-N	407.530	3.616	10	20	HHCD	
O=S(=O)(NCc1cccc(Br)c1O)c1ccc(CC(F)(F)F)cc1	766201871	WPYUYVDUMNHXQZ-UHFFFAOYSA-N	424.238	3.738	10	20	HHCD	
O=C(NCCc1cccs1)C1CCN(Cc2cc(Br)ccc2O)CC1	769168807	KGAHYDKQXPSIHP-UHFFFAOYSA-N	423.376	3.787	10	20	HHCD	
COc1ccc(N2CCN(Cc3cc(OC)c(OC)cc3SC)CC2)cc1F	770301947	OIGHOBYBXXVGHX-UHFFFAOYSA-N	406.523	3.896	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](OC(C)C)c2ccccc2OC)c1	770491603	CYPGSGOUMWEJED-BTYIYWSLSA-N	402.491	3.936	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	772409854	UCBGTSTZAHCDLB-INIZCTEOSA-N	403.866	3.657	10	20	HHCD	
COc1c(Br)cccc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O	773906102	FJPGAGAGUKDKSI-DHZHZOJOSA-N	416.318	3.524	10	20	HHCD	
Oc1c(Br)cccc1CNCc1cn(-c2ccc(F)cc2Cl)nn1	775154313	ZPRXXHGJLMPYHJ-UHFFFAOYSA-N	411.662	3.818	10	20	HHCD	
CCN(Cc1ccc(N2CCN(C)CC2)cc1)CC1CCN(c2ccccn2)CC1	775711940	KSNGQGBGPDEPTC-UHFFFAOYSA-N	407.606	3.572	10	20	HHCD	
CC(C)C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1	776896555	OIHDDQIUVTULKT-HNBVOPMISA-N	421.557	3.832	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(COc2c(Cl)cccc2Cl)on1	778915807	VWSOFVQBBGOXRO-UHFFFAOYSA-N	409.225	3.902	10	20	HHCD	
CC(C)N1C(=O)C[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1	778929511	MKIUMYJKLOECRT-VLIAUNLRSA-N	420.868	3.505	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H](CCO)c2ccccc2Br)cc1F	781932989	IYQSFMZPIXJUCE-KRWDZBQOSA-N	424.314	3.577	10	20	HHCD	
COC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	784059240	IBOQWUOCEPHSLI-UHFFFAOYSA-N	410.474	3.752	10	20	HHCD	
C[C@@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1c[nH]c2ccccc12	787230425	VNYVYDKYIYZNGX-KRWDZBQOSA-N	407.514	3.929	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCSC(C)(C)CC3)cc2F)C[C@@H](C)O1	788885694	ZNSJINGIIYDFSK-IYBDPMFKSA-N	409.571	3.866	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2CN(C)c2ccccc2)cc1	789353003	PKGRGGIJZHLNJM-UHFFFAOYSA-N	416.525	3.644	10	20	HHCD	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NCc1ccc(N2CC=CC2)cc1	792101015	IXPDRXWRCSBQRT-QGZVFWFLSA-N	402.539	3.508	10	20	HHCD	
COc1cc(Cl)cc(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)c1O	793604288	DIVCPDSOFKZSPM-LJQANCHMSA-N	417.937	3.833	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1	797640600	OOKTUCDFJCPMSR-JTQLQIEISA-N	417.359	3.525	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@@H](Cn1ccccc1=O)c1ccccc1	800712948	VLZSQAMHLYYXAR-KRWDZBQOSA-N	414.556	3.528	10	20	HHCD	
O=S(=O)(NCc1cccc(Br)c1O)c1c(Cl)ccc(F)c1F	805081596	WWGLUGLWXLMXFZ-UHFFFAOYSA-N	412.639	3.565	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@H](C)c3cc(Cl)ccc3O)C2=O)c(OC)c1	806169428	FTZNWFBKZNPOMH-ACJLOTCBSA-N	404.894	3.515	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnc(C3OCCO3)s2)cc1	806426103	XUBAXBNJGKEECZ-UHFFFAOYSA-N	413.499	3.690	10	20	HHCD	
CCOC(=O)C(C)(C)c1csc(NC(=O)NCc2ccc3c(c2)CCCN3C)n1	806821022	JCFDHIJHFIXPRG-UHFFFAOYSA-N	416.547	3.688	10	20	HHCD	
O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1cc(Cl)cc(Cl)c1O	807837013	YEEXFOOPOQRQCL-UHFFFAOYSA-N	402.661	3.983	10	20	HHCD	
Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccc(N2CCS(=O)(=O)CC2)cc1	808696543	VWLVJGIFOARCLB-QHCPKHFHSA-N	423.582	3.878	10	20	HHCD	
Cn1ccnc1[C@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1	809757639	QEJDPUDGBMTFRI-JTQLQIEISA-N	415.129	3.640	10	20	HHCD	
C[C@H](NC[C@H]1CCN(c2ccccc2F)C1)c1ccc(N2CCOCC2)c(F)c1	812735717	FOLOQDIFAXUCDX-ZWKOTPCHSA-N	401.501	3.979	10	20	HHCD	
C[C@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1cccc(C(F)(F)F)c1O	815561698	NJHPEDBPQUESQG-AWEZNQCLSA-N	422.447	3.962	10	20	HHCD	
CCCCN(C)S(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1	863990501	XHACSGXJSUTYNL-UHFFFAOYSA-N	417.575	3.556	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)NCc2ccc(CN3CCCC3)cc2)C2CC2)cc1	917075011	OIUQXXSFVJWHAO-UHFFFAOYSA-N	420.601	3.629	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2c2cccc(F)c2)c1	917486967	NKCASODAESWNHM-QHCPKHFHSA-N	412.505	3.903	10	20	HHCD	
COc1ccc2nc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)sc2c1	918024433	QYKVEUHFVZAZPP-UHFFFAOYSA-N	416.478	3.602	10	20	HHCD	
Cc1ccc(CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)o1	918221589	YRYPTSFPZZUMGP-UHFFFAOYSA-N	401.482	3.562	10	20	HHCD	
CC(C)COc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	918457449	SXKXNTOWPYDIPS-UHFFFAOYSA-N	409.530	3.917	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12	921233238	KXQIDTJNLWOYFD-UHFFFAOYSA-N	407.455	3.538	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1	1325023238	LESZWQVGRHASIA-OFNKIYASSA-N	410.581	3.578	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)c(C)n1-c1ccccc1	1328226797	SRTOIBMPLMUNMH-OAQYLSRUSA-N	416.477	3.970	10	20	HHCD	
CCN(CC)CCN(CC(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65698424	CJHYAMXYNFQFID-HXUWFJFHSA-N	404.599	3.594	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccn1	106073047	ZIQKHHMYAYFYCD-UHFFFAOYSA-N	404.514	3.598	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(NC(C)C)CC2)c(C)n1-c1ccc2c(c1)OCCO2	111056682	KUKFAAWSCFSRKC-UHFFFAOYSA-N	411.546	3.510	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)n(C)c2ccccc12	511444637	BUHOJDBONKBRHP-PMACEKPBSA-N	403.526	3.946	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)ccc21	727601948	FJZFAXPDVCPOPT-OAQYLSRUSA-N	401.457	3.630	10	20	HHCD	
Cn1c(Cl)nc(Cl)c1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O	728440005	QYJYPMQPTCEMNU-UXBLZVDNSA-N	414.295	3.831	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc3cccnc23)c1	728836174	STBWQUSOTCDTRA-UHFFFAOYSA-N	410.477	3.979	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(F)c(F)cc3Cl)cc2F)CC1	730195010	WUCLKHKJJQEAGI-UHFFFAOYSA-N	411.855	3.829	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc(F)cc4)n3)ccc2N1	731059095	RXQQGBFLJYSOOP-UHFFFAOYSA-N	403.460	3.635	10	20	HHCD	
O=[N+]([O-])c1c(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nc2sccn12	731903944	ZHUBPTQKWMSHFC-ZDUSSCGKSA-N	407.883	3.740	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc(F)cc1I	733884088	MVFAYOWGVHOOFO-UHFFFAOYSA-N	422.288	3.799	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(-n2cc(Br)cn2)cc1	734407192	FZWHVIGJAKZHHE-UHFFFAOYSA-N	413.319	3.939	10	20	HHCD	
CCCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	741084662	RAFQRZCDSOQPNY-BDTNDASRSA-N	415.578	3.899	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)c1ccc(Cl)cc1	742800426	RBHPXDRFNUUXKX-HNNXBMFYSA-N	408.832	3.909	10	20	HHCD	
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)NCc2ccccc2O)c1	748437883	BNXIQGHPCJTWFE-UHFFFAOYSA-N	411.483	3.539	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(N(C)c4ccccc4)CC3)CC2)cc1	749564243	JJTCCQLDDUPCMV-UHFFFAOYSA-N	422.573	3.974	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2F)C[C@@H](C)O1	749910835	GQUMSCMRSYMTOO-CHWSQXEVSA-N	421.856	3.931	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1O	753318906	WMFGIZFELXQWCE-PCCBWWKXSA-N	409.530	3.501	10	20	HHCD	
COc1cc(OC)cc(OCCCNC(=O)NCc2ccc(N3CCCC3)cc2)c1	753863861	YJLGVIDGDVXANQ-UHFFFAOYSA-N	413.518	3.572	10	20	HHCD	
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc(C(C)C)c(O)cc3C)ccc21	755983443	FAWGZKKNRAOFKN-UHFFFAOYSA-N	402.516	3.924	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)cc1	756458695	JZSUKMLVXJPFSA-KBXCAEBGSA-N	406.523	3.697	10	20	HHCD	
C[C@H](N[C@@H]1CCc2c[nH]nc2C1)c1cc(Br)cc(Br)c1O	756645179	FELCGXFAFBSIRQ-GZMMTYOYSA-N	415.129	3.848	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C(=O)c3ccc(Cl)s3)cc2F)C[C@@H](C)O1	758092576	KCRWFHINJFNXEL-TXEJJXNPSA-N	410.898	3.653	10	20	HHCD	
OC[C@H](CNCc1c(O)ccc(Cl)c1F)Cc1ccc(Br)cc1	758525943	RBDKYMIYTODNLA-LBPRGKRZSA-N	402.691	3.888	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCc2c(O)ccc3c2CCCC3)C1	759618276	NLZSIBTWOMBODM-INIZCTEOSA-N	402.535	3.924	10	20	HHCD	
COc1cc(N2CCN(Cc3cc4cc(F)ccc4o3)CC2)cc(OC)c1OC	761218829	KDLBJIUYRVUSKI-UHFFFAOYSA-N	400.450	3.920	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CN2CCC(CO)CC2)cc1	764894405	HNKBROLVXJLZRI-UHFFFAOYSA-N	409.574	3.619	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cccc(NC(=O)c2ccco2)c1	765750450	GTXRLGSQPNQDSE-UHFFFAOYSA-N	415.243	3.930	10	20	HHCD	
Cc1cccn2cc(COc3ccccc3C(=O)NCc3ccc(O)c(O)c3)nc12	768916665	HPXYDHRCMQHZEJ-UHFFFAOYSA-N	403.438	3.563	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c1	769009430	QEYHOMLLLKUABW-LLVKDONJSA-N	421.379	3.883	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1	769561928	GZZSWEMVCUNNIV-GOSISDBHSA-N	407.514	3.831	10	20	HHCD	
Cc1ccc(N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1	769748293	FUAAFKDFDARVOJ-UHFFFAOYSA-N	402.497	3.840	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccc1C	769863891	BKLHMEHUNWTDHB-UHFFFAOYSA-N	422.504	3.649	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	769865206	NBLREPYNNRPWRN-QZTJIDSGSA-N	422.504	3.863	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCC(O)(c4cccnc4)CC3)ccc21	770050348	NTYOKPRWTQKSEB-UHFFFAOYSA-N	421.541	3.860	10	20	HHCD	
CO[C@@H](C)c1noc(CN2CCCN(Cc3cc(-c4ccccc4)ccc3O)CC2)n1	770282572	PFZQZMFPBPYHDD-SFHVURJKSA-N	422.529	3.858	10	20	HHCD	
CCOc1ccc(O)c(CN(C)[C@H](C(=O)OC)c2cccc(Br)c2)c1	770380639	QBXYIHYRVWPLBA-SFHVURJKSA-N	408.292	3.900	10	20	HHCD	
C[C@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)c1ccc(N(C)C)cc1	773440881	HATFZTWYHRNOAN-FQEVSTJZSA-N	424.589	3.830	10	20	HHCD	
C[C@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC1(C)OCCO1	774424552	KMCBONQBEBNIEG-INIZCTEOSA-N	410.474	3.946	10	20	HHCD	
CN(C)c1ccc(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1F	775037415	LURNYSUTKQPAON-UHFFFAOYSA-N	404.429	3.604	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1	775220431	OTBCWLBOGLEQSY-NRFANRHFSA-N	409.917	3.600	10	20	HHCD	
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775678211	BPUWHXYELRNUDT-UHFFFAOYSA-N	401.240	3.935	10	20	HHCD	
CCCc1cnc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)s1	776551358	AKWLKBKJARVISY-UHFFFAOYSA-N	423.541	3.916	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CC[C@@H](C(=O)NCC(F)(F)F)C3)c2C)c1	779244749	PFWPQTOZJRFMJD-MRXNPFEDSA-N	407.436	3.543	10	20	HHCD	
COC(=O)[C@H](Cc1ccc(Cl)cc1)NC1CCN(c2ccc(OC)cc2)CC1	783568833	DPOLFHYSZSCZFM-NRFANRHFSA-N	402.922	3.691	10	20	HHCD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	785295589	WXCLAHIVRJLXQO-MRXNPFEDSA-N	404.466	3.759	10	20	HHCD	
COc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)ccc1C(F)(F)F	790935126	ULRHZTULZWAFQA-UHFFFAOYSA-N	422.403	3.553	10	20	HHCD	
COc1ccc(CNC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)c(O)c1	794377515	OXMDYKFFTXUDCY-UHFFFAOYSA-N	407.257	3.527	10	20	HHCD	
Cc1ccccc1-n1nccc1/C=C1\SC(=S)N(c2ccc(C(N)=O)cc2)C1=O	794859166	LAYPBEHVRYZRJW-PDGQHHTCSA-N	420.519	3.685	10	20	HHCD	
CC[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(Cl)c(S(=O)(=O)NC)c1	795787324	CVCGBRVUCLAIDF-LJQANCHMSA-N	421.994	3.871	10	20	HHCD	
O[C@H]1CCC[C@@H]1N1CCC(NCc2ccc3c(c2)CCN3Cc2ccccc2)CC1	796320591	PWHYRJLMQNWIPA-UIOOFZCWSA-N	405.586	3.717	10	20	HHCD	
Cc1ccc([C@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)c(O)c1	797036156	KTBDXGCNLIZXNX-LBPRGKRZSA-N	403.331	3.637	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N(CCc3ccccn3)Cc3ccncc3)ccc21	798108123	IPZXQQIHJVAIBM-UHFFFAOYSA-N	415.541	3.814	10	20	HHCD	
CN(C)c1ccc(NS(=O)(=O)c2cccc3nsnc23)c(C(F)(F)F)c1	799184586	SEONPNLUAKDFNA-UHFFFAOYSA-N	402.423	3.577	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)cc1F	799254423	ZGCVTZBIYWVUHO-UHFFFAOYSA-N	402.228	3.593	10	20	HHCD	
COc1ccc(C2=NO[C@H](CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)cc1C	802298549	SWBVOJBBZQFTAS-UZLBHIALSA-N	410.518	3.623	10	20	HHCD	
C[C@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803679155	QAZJUNGFTPOTPP-GOSISDBHSA-N	408.546	3.686	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(CN2CCOC2=O)cc1	806221696	UUFAOVWVZZBIHW-UHFFFAOYSA-N	410.257	3.973	10	20	HHCD	
COc1ccc2cc(NC(=O)C(=O)NCCCSc3nccs3)ccc2c1	806928656	BLNMSAJMMYPUKX-UHFFFAOYSA-N	401.513	3.542	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(N(C)C)cc1	807674409	KLQDTTHIVKZZBR-HNAYVOBHSA-N	422.554	3.903	10	20	HHCD	
O=C(NCCCc1cccs1)C(=O)N(Cc1ccccc1O)C1CCCCC1	808814249	YAPHRQQOIOZLJX-UHFFFAOYSA-N	400.544	3.864	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)cc1OC	809662968	ONDPIZWVNVSOMD-ZCVTWQBDSA-N	411.498	3.657	10	20	HHCD	
C[C@@H]1[C@H](N2CCCC2)CCN1Cc1cc(Br)cc(Br)c1O	809724758	YJRURBMIRZXSQD-IAQYHMDHSA-N	418.173	3.976	10	20	HHCD	
CCc1ccccc1OCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C	809807073	JGULVECIGUKNTB-UHFFFAOYSA-N	421.545	3.682	10	20	HHCD	
Cn1cnc2cc(NCc3cc(I)cc([N+](=O)[O-])c3)ccc21	810150010	JOPCPIXDGUOQRE-UHFFFAOYSA-N	408.199	3.698	10	20	HHCD	
CC[C@@](O)(C(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1cccc(Cl)c1	857439481	AMJHOXPTRHMARZ-QFIPXVFZSA-N	402.922	3.685	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3c(nc2O)CCCC3=O)cc1	914491600	MLUOAFXKIWJKRQ-UHFFFAOYSA-N	419.481	3.808	10	20	HHCD	
O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)NCc1ccc(N2CCCC2)cc1	915701144	KXBXSKKJSJSQEB-UHFFFAOYSA-N	420.557	3.912	10	20	HHCD	
CCC(=O)Nc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1	916381025	DEGPKVKKIXQFEX-UHFFFAOYSA-N	412.559	3.588	10	20	HHCD	
COc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ccc1OCc1ccccc1	916590747	LEFJJCGWZQAZPM-UHFFFAOYSA-N	408.406	3.725	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)cc1	917759263	KVCBPKACKXRICY-UHFFFAOYSA-N	421.371	3.965	10	20	HHCD	
CCCCOc1ccccc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	918052234	BGMYUFKESNQMRZ-LJQANCHMSA-N	424.545	3.889	10	20	HHCD	
Cn1cc(/C=C/C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cn1	918681835	MZWRGZKFZDDZGV-KPKJPENVSA-N	404.445	3.804	10	20	HHCD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	919775855	ZUTYKAVCQNHHKN-SFHVURJKSA-N	424.545	3.715	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)COCc1ccccc1	919798629	FVQKLRFOGBUDGR-SIKLNZKXSA-N	412.530	3.936	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1N1CCN(C)CC1	1318962788	GVOJDDCSHUKHAC-UHFFFAOYSA-N	423.605	3.625	10	20	HHCD	
CC1=CC(C(=O)Nc2ccc(-c3nnnn3C)cc2)=S=C1c1cccc(Cl)c1	1586336409	QABOYJCLGWTJCH-UHFFFAOYSA-N	409.902	3.555	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1	7692129	MTGQNMCEYBQPNE-UHFFFAOYSA-N	421.570	3.961	10	20	HHCD	
COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1sc2nc(C)cc(C)c2c1N	14152047	VZXUEEZVVWGPLL-CYBMUJFWSA-N	413.499	3.538	10	20	HHCD	
Oc1c(Br)cccc1CNC[C@@H]1CN(Cc2ccccc2)CCCO1	390889713	YZNPFXGPQKWOPP-GOSISDBHSA-N	405.336	3.535	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCCNC(=O)NC1CCCCC1	437006041	FDIIJOZNDDJJHT-UHFFFAOYSA-N	416.566	3.670	10	20	HHCD	
Cc1c(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n(C)c2ccccc12	471233166	HZBPDCOMZMZMMK-SFHVURJKSA-N	407.489	3.794	10	20	HHCD	
COCCOc1ccccc1CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	483461907	DLZFKSVKXHAQPF-UHFFFAOYSA-N	410.514	3.860	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccccc1C(=O)N1CCCCC1	543915730	JXSPWNWRSIDPSN-UHFFFAOYSA-N	408.502	3.810	10	20	HHCD	
CCC[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)Nc1cccc(N2CCCC2)c1	725851425	PJAUEKRWVSVBBQ-LJQANCHMSA-N	411.502	3.618	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)CC2)cc1	726713361	MZQHOLZDQOBVGZ-QFIPXVFZSA-N	413.518	3.648	10	20	HHCD	
C[C@H]1CCCN(C(=O)CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)C1	731035978	COHFIQFDVGQZBG-KRWDZBQOSA-N	401.551	3.722	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)cc2)CC1	731049732	MMZFEXBRVMZWCO-QHCPKHFHSA-N	420.557	3.523	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc(F)cc4F)n3)ccc2N1	731058776	ABWJGEWDXFJDQN-UHFFFAOYSA-N	421.450	3.774	10	20	HHCD	
O=[N+]([O-])c1c(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nc2ccccn12	731903760	VCIPUVODUKVPKF-HNNXBMFYSA-N	401.854	3.678	10	20	HHCD	
Cc1ccc(CN(CC(=O)NCc2cccnc2)c2ccc3c(c2)OCCO3)s1	732199248	ISHJNZLCJNPZFW-UHFFFAOYSA-N	409.511	3.546	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3c(F)cc(F)cc3F)cc2F)CC1	743222698	MREULLQKMAAQJN-UHFFFAOYSA-N	410.415	3.707	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1	745869522	HHTMZPVHLFLJKD-UHFFFAOYSA-N	409.578	3.629	10	20	HHCD	
CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1	747091287	KQFMNFSCBSRUFC-XMMPIXPASA-N	410.514	3.695	10	20	HHCD	
COc1cc(C[C@H](CO)CNCc2cc(Cl)cc(Cl)c2O)cc(OC)c1	747622680	UIKJHNKDYOTIEG-ZDUSSCGKSA-N	400.302	3.657	10	20	HHCD	
CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2O)[C@@H]1c1ccc(OC)cc1	748346044	KWHSSJCWJMGHDS-OFNKIYASSA-N	410.514	3.797	10	20	HHCD	
Cc1cc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1	748772449	IPILRSSEYCWDTM-UHFFFAOYSA-N	412.534	3.866	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3CCC[C@H]4CCCC[C@@H]43)sc2n1	749819631	ADRHJELNTWJRKD-CABCVRRESA-N	401.532	3.833	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2O)c2ccccc12	751316743	AMINJNYNZYJVGW-CQSZACIVSA-N	401.484	3.992	10	20	HHCD	
O=C(CN[C@H](c1ccccc1)C(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1	752151654	KAMHWDRUPDWIKV-WIYYLYMNSA-N	422.447	3.793	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)cc1	753893578	PYERMAZJPITLFH-UHFFFAOYSA-N	424.545	3.763	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@H](CN(C)Cc2ccccc2O)c2ccccc2)cc1	754065858	JLHUDEOXLZTKBE-JOCHJYFZSA-N	410.539	3.852	10	20	HHCD	
CCc1nn(C)c(CC)c1CNC(=O)N(CC)Cc1cc(Br)ccc1O	755083972	AUAQRBPIPPCERB-UHFFFAOYSA-N	423.355	3.745	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cc(OC)ccc2O)cc1	756361161	GFMQCXQGLITYGY-CVEARBPZSA-N	406.548	3.843	10	20	HHCD	
C[C@H]1C[C@H](NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(O)ccc(F)c21	756474450	AVGSUADLLRVSHY-KXBFYZLASA-N	415.484	3.547	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1	756680640	JMAVXNXDXIRNHJ-GOTSBHOMSA-N	411.546	3.567	10	20	HHCD	
O=C(NCc1ccccc1O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O	760810509	ILWZKAXMHKRNNO-UHFFFAOYSA-N	407.651	3.580	10	20	HHCD	
COc1cc(C)c([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC	761029629	CUNMPPHGRGJPNK-CYBMUJFWSA-N	418.877	3.897	10	20	HHCD	
COc1cc(N2CCN(Cc3cccc4c3OC(C)(C)C4)CC2)cc(OC)c1OC	761218923	MCDYRFDWYZLZLM-UHFFFAOYSA-N	412.530	3.748	10	20	HHCD	
CO[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1Cl	762208502	HXLNGTUOSQPAHU-KRWDZBQOSA-N	409.269	3.851	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F	762636488	HYPDZZAZAHFFGK-UHFFFAOYSA-N	411.836	3.605	10	20	HHCD	
O=C(CCCOc1ccc2c(c1)CCCC2)NCc1ccc(N2CCOCC2)cc1	765041836	QVJAFJKBZLIWIZ-UHFFFAOYSA-N	408.542	3.877	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H](c3ccc(C)cc3)N3CCOCC3)CC2)cc1	765237546	FDMHNDUZBXKORR-RUZDIDTESA-N	409.574	3.636	10	20	HHCD	
C[C@@H](NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1	765365525	ZGUCHLRLMNIMEK-OAHLLOKOSA-N	420.912	3.980	10	20	HHCD	
Cc1ccc(Br)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1	765667503	IZSMYTXYQBHHDU-UHFFFAOYSA-N	409.349	3.836	10	20	HHCD	
COc1ccc2cc([C@@H](C)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)ccc2c1	765980078	NSFVHGLELFNVLE-GOSISDBHSA-N	424.566	3.934	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnn(CC(C)C)c2C(C)C)cc1	766577444	NABLMQLCYZPMIM-UHFFFAOYSA-N	413.566	3.764	10	20	HHCD	
O=C(c1cc(F)ccc1F)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	768896370	CXRSHAMXGMGNMG-UHFFFAOYSA-N	400.469	3.896	10	20	HHCD	
CCn1nnnc1-c1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	770586942	YUIDPZLZEPTDII-UHFFFAOYSA-N	407.478	3.871	10	20	HHCD	
COCCc1nc(C)c([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)s1	771373644	BQBQHMQDQYPESW-MRXNPFEDSA-N	403.592	3.700	10	20	HHCD	
CC(C)c1cccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	773513224	QWHSIJVVLOYRIW-OAQYLSRUSA-N	408.546	3.511	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)sc(C)c1C	775361750	CXHAYMCGXNMQEO-LBPRGKRZSA-N	406.504	3.545	10	20	HHCD	
Cc1cc(Br)cc(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)c1O	775649041	IXYNJDDPJLVTBA-UHFFFAOYSA-N	403.320	3.987	10	20	HHCD	
C[C@H](NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)c1ccc(N(C)C)cc1	776249998	RRPQRNPHEZFJPB-UGSOOPFHSA-N	421.950	3.637	10	20	HHCD	
CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3ccc(O)c(C)c3)cc2c1C	776748464	JVLGVKWZXNXTOI-UHFFFAOYSA-N	406.485	3.596	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2C)cc1	776852456	IRVZOMIWOFXFAH-LJQANCHMSA-N	404.514	3.817	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)NCc1ccco1	777823564	USRQCYCVNZOEAF-KRWDZBQOSA-N	407.470	3.574	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CC[C@H](O)[C@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	778252050	DVLWZSGLQJARLK-PSGMQZRDSA-N	406.473	3.969	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)cc1	778625903	CHBLTJJGKOSSJW-HRAATJIYSA-N	413.493	3.936	10	20	HHCD	
O=S(=O)(Nc1ccc(F)cc1)c1ccc(CNCc2cc(F)ccc2O)cc1	779090978	AHNRVZCYMYJSPW-UHFFFAOYSA-N	404.438	3.761	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(OC(F)F)cc1	780358268	FTWQKHNAFXNFFJ-BBWFWOEESA-N	406.473	3.969	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(Oc4nccs4)c3)c2)CC1	781045713	OMSYFVYRTLUUJK-UHFFFAOYSA-N	422.510	3.856	10	20	HHCD	
C[C@@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1cnccn1	782676591	KKTFBDWPPDJSRM-JXCQQFQQSA-N	419.553	3.824	10	20	HHCD	
CO[C@@H]1Cc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc2C1	782895428	BIVVBOWXTZCWSM-JOCHJYFZSA-N	422.525	3.806	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783315381	AZQPSFYFHRJHBM-UHFFFAOYSA-N	419.529	3.622	10	20	HHCD	
CC[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccccc1	785390059	RFUPIXIBYPWEDZ-OAQYLSRUSA-N	407.558	3.849	10	20	HHCD	
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)C(=O)Nc1ccccc1C	787330579	ZUDSBZKUPAOPFX-HNNXBMFYSA-N	401.463	3.857	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc1	787852977	CFUIJBRUPGTHGW-OAHLLOKOSA-N	419.472	3.628	10	20	HHCD	
C[C@@H]1CCSCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	790203319	AZZWJQLOUNUWDN-CQSZACIVSA-N	417.497	3.579	10	20	HHCD	
Cc1ccc(-c2nc(CN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)co2)cc1	794782280	QVLFROAYXJSEHP-UHFFFAOYSA-N	411.845	3.973	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccc([S@](C)=O)cc2)cc1	797824179	CSPDYDOUJOLWSZ-LJAQVGFWSA-N	410.539	3.855	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(OC(F)F)cc3F)CC2)cc1F	801862840	UJYQTHGQEZLHRE-UHFFFAOYSA-N	413.371	3.929	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Oc2cnccn2)c1	802610515	DFCMVHSGLPVZQF-UHFFFAOYSA-N	420.469	3.742	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)c2nncn2C)c(C)n1-c1cccc(Br)c1	805418090	OIZBRDFZINJWLL-ZDUSSCGKSA-N	403.280	3.903	10	20	HHCD	
C[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)c1ccc(Br)cc1O	806659845	HLAMBXLGXHDWMD-ZIAGYGMSSA-N	407.308	3.816	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C	807099780	FSQUQPDFCGKEPT-FQEVSTJZSA-N	419.928	3.983	10	20	HHCD	
CCCN(CCC)c1ccc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1	809784608	MKCDTMKYFKFLMG-FQEVSTJZSA-N	407.624	3.607	10	20	HHCD	
C[C@@H](NC(=O)c1cc(N(C)C)c2ccccc2n1)c1ccc(N2CCOCC2)cc1	810207227	GDBOCZABAOKDFG-QGZVFWFLSA-N	404.514	3.628	10	20	HHCD	
CC[C@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(C(F)(F)F)cc1O	810215274	BLAPEURQONJJMT-OXJNMPFZSA-N	421.419	3.707	10	20	HHCD	
C[C@@H](NCc1cc(Br)ccc1O)c1ccc(N2CCCNC2=O)cc1	812801081	CJHIQNJRSCDQPM-CYBMUJFWSA-N	404.308	3.925	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccccc2OC(F)(F)F)SC1=S	814268624	XSFZUHFRCFHSSB-FMIVXFBMSA-N	405.419	3.740	10	20	HHCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	816498978	ZICFLPOOGDBQRN-QGZVFWFLSA-N	418.944	3.614	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)C1	817642198	SWCBCAALAGVKGX-CVEARBPZSA-N	404.507	3.597	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3	915082046	QHVYJKGNPOKACY-UHFFFAOYSA-N	416.525	3.653	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCN(C(=O)C(C)(C)C)CC2)c(C)n1-c1ccccc1	916220956	ITKMYQUXPBLDGE-UHFFFAOYSA-N	410.562	3.537	10	20	HHCD	
CN(CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1F	918130234	MMBAMJONKHGFTK-LJQANCHMSA-N	415.509	3.748	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1csc(-c2ccccc2F)n1	920437143	LBCHECGXFLEJPU-UHFFFAOYSA-N	415.465	3.855	10	20	HHCD	
C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC(C)(C)O1	920887362	IZLPTINVGZTAOK-LERPTODRSA-N	424.613	3.755	10	20	HHCD	
C[C@H](NC[C@H](CO)CC1CCOCC1)c1cc(Br)cc(Cl)c1O	1256036041	XOTBDFQYCONMML-WCQYABFASA-N	406.748	3.884	10	20	HHCD	
Cc1nc(CSCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cs1	1317911140	DMOILYOFWFASKN-OKILXGFUSA-N	423.579	3.754	10	20	HHCD	
CCc1noc(-c2ccc(CCNCc3ccc(N4CCN(C)CC4)c(F)c3)cc2)n1	1338757035	YOFIXCMBMSSXIF-UHFFFAOYSA-N	423.536	3.522	10	20	HHCD	
C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1ccc(N2CCCCC2)cc1	10056339	QXWOQVIKQLGEFA-JOCHJYFZSA-N	420.601	3.846	10	20	HHCD	
O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1ccc(N2CCCC2)cc1	106158492	TUXNTPOBXXRGJT-UHFFFAOYSA-N	420.538	3.855	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(Br)cc3)cc2F)CC1	303302149	MYNOSZOBCQAPNO-UHFFFAOYSA-N	420.326	3.660	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCc3c(C)c4ccccc4n3C)C2)nc1	472225477	QFZFEDLELWJJJN-GOSISDBHSA-N	419.529	3.750	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(N4CCCC4)nc3)ccc21	484753069	XYKCKYGSGVUUQX-UHFFFAOYSA-N	406.530	3.830	10	20	HHCD	
CC(=O)c1ccc([N+](=O)[O-])cc1N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	520277836	XIWAKOBAHWEEFP-UHFFFAOYSA-N	419.437	3.620	10	20	HHCD	
CCc1c(-c2ccncc2)n[nH]c1NC(=O)C1=S=C2C(=C1)CCc1ccccc12	520632050	NXAAZTUMZCBVPO-UHFFFAOYSA-N	400.507	3.985	10	20	HHCD	
CC(=O)Nc1cccc(CS(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)c1	726068664	ZLOONJXATHTIFR-UHFFFAOYSA-N	424.522	3.850	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(OC)cc3Br)CC2)cc1	726561545	DLUSLXDBWJSIAM-UHFFFAOYSA-N	419.319	3.865	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3cccc4c3OCCO4)sc2C)cc1	727242366	ZWQXCQLDZUIJGW-UHFFFAOYSA-N	418.496	3.699	10	20	HHCD	
Cc1cc(C(=O)Oc2ccc(O[C@@H]3CCCCNC3=O)cc2)c(C)n1-c1ccccn1	727637178	BOIRXKOYJKZAAY-OAQYLSRUSA-N	419.481	3.756	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCCOC2)c(C)n1-c1ccc(OC(F)F)cc1	727907586	NLWDQDBWBMNNKT-OAHLLOKOSA-N	407.413	3.848	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)O[C@H](C)C2	728942467	ULNHVEKVRCFZKP-KGLIPLIRSA-N	400.475	3.683	10	20	HHCD	
Cc1cc(NC(=O)[C@@H](C)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)on1	731036063	FDYAPKJQZWSUBZ-OAHLLOKOSA-N	414.506	3.788	10	20	HHCD	
O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1cc(O)cs1	732257113	DRDAXPLNBDTJGL-VGOFMYFVSA-N	408.888	3.573	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](c3cccc(Cl)c3)N(C)C)CC2)cc1	732283375	XEFQZNBNEBPDBM-NRFANRHFSA-N	401.938	3.737	10	20	HHCD	
Cc1noc(C)c1C[C@@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	738501031	QXXACEVNHFBXJL-CYBMUJFWSA-N	422.476	3.792	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)NCc1ccc(N3CC=CC3)cc1)O[C@H](C)C2	740903518	QBVZPRDBWBFSDC-QGZVFWFLSA-N	407.514	3.784	10	20	HHCD	
Cc1nc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccn12	741187918	ITHXMTIYUITMLF-UHFFFAOYSA-N	400.429	3.643	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1	742498263	NKBWLCRVEUBJAY-HSZRJFAPSA-N	407.558	3.991	10	20	HHCD	
C[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806214	QNWQXNICGAFKSG-CABCVRRESA-N	408.420	3.980	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1C(=O)Nc2ccccc21	743809092	LGOPOPGFXRTLNE-OAHLLOKOSA-N	403.276	3.629	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)Cc1c(C)noc1C	745833889	GBYNSJVZXDPGNS-LLVKDONJSA-N	410.312	3.922	10	20	HHCD	
C[C@H]1CN(c2ccccc2NC(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1	746764356	WFUFUSAASXHBOE-IYBDPMFKSA-N	400.498	3.827	10	20	HHCD	
CN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	753544527	NILOHYFSFGSOBS-IRLDBZIGSA-N	403.544	3.759	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCCc3c[nH]c4ccccc34)CC2)cc1F	753929153	BJXQIMGPZFQDOP-UHFFFAOYSA-N	410.493	3.780	10	20	HHCD	
C[C@H](NC(=O)N(CCCO)[C@@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1	754366117	MFYBUGDCLRMPDL-YADARESESA-N	423.557	3.666	10	20	HHCD	
C[C@@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cc(Br)ccc1O	756802128	FPZMZTUHPFFEQE-LLVKDONJSA-N	424.726	3.917	10	20	HHCD	
CCOc1cccc(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)c1OC(F)F	756954990	VVVHTXRGVKAPSY-GFCCVEGCSA-N	410.417	3.961	10	20	HHCD	
CN(C)c1ccc(CNCc2ccc(OCCN3CCOCC3)c(Cl)c2)cc1F	759275896	ZXQFRIFJMLLPIB-UHFFFAOYSA-N	421.944	3.546	10	20	HHCD	
Cc1ccc(CNC(=O)NCCCSc2nccs2)c(OC[C@H]2CCCO2)c1	759585835	KCRQICRXGKZBPK-QGZVFWFLSA-N	421.588	3.991	10	20	HHCD	
CC(C)(C)Oc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cn1	761929661	MEBDYNPQAXGVGG-UHFFFAOYSA-N	403.866	3.582	10	20	HHCD	
Oc1c(Br)cccc1CNc1ncccc1I	764934860	OVCOOGVPPIZWFS-UHFFFAOYSA-N	405.033	3.766	10	20	HHCD	
CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(N3CCSCC3)cc2)cc1	765080295	NTCFJKAJESJUGM-KRWDZBQOSA-N	419.616	3.852	10	20	HHCD	
Cc1ccc(NC(=O)NCc2cccc(Br)c2O)c(OCCN(C)C)c1	765295630	UAQTUSJXEFKMCK-UHFFFAOYSA-N	422.323	3.725	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1	768541906	AYEZGQDCVAQIKN-FXAWDEMLSA-N	421.557	3.930	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccnc1Br)c1ccc(N2CCOCC2)cc1	770274291	PUMKMBCBNVAVTJ-CYBMUJFWSA-N	405.296	3.563	10	20	HHCD	
CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccc(N4CCCC4)cc3)no2)c1	770641881	DYIONZJARRBCIF-UHFFFAOYSA-N	419.481	3.986	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](c1ccccc1)n1cccn1	771062990	CUEIWLKKXFJFNY-UNMCSNQZSA-N	424.932	3.612	10	20	HHCD	
CCCCn1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)n1	771417047	JZWDOGWFRYXUCJ-GOSISDBHSA-N	404.942	3.745	10	20	HHCD	
Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)csc1Br	771890825	HTBQYFMHNVGUQA-UHFFFAOYSA-N	409.349	3.928	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)c(F)c1	773120281	MNMSKJFTSKIGJT-OXQOHEQNSA-N	415.484	3.648	10	20	HHCD	
Cc1ccsc1CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	773505930	NMDGZGCHAOEJIG-HOTGVXAUSA-N	405.539	3.851	10	20	HHCD	
COC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(F)c(F)c1	773785179	OZNNZNNHYVNFME-NRFANRHFSA-N	419.472	3.629	10	20	HHCD	
Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773844805	HEOKKLPOLBBNLO-LBPRGKRZSA-N	422.298	3.779	10	20	HHCD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccc(OC)c2O)nc1	774524425	RXGDFOVUSOXCLH-UHFFFAOYSA-N	413.499	3.623	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(Oc3ccncc3C)CC2)c1O	775204470	NYRWLMJTCWOMAH-UHFFFAOYSA-N	407.308	3.910	10	20	HHCD	
C[C@H]1CN(c2ccc(CNCc3ccc4c(c3)CCC(=O)N4C)cc2F)C[C@H](C)O1	775306096	KENKHSTWUQJMTB-IRXDYDNUSA-N	411.521	3.638	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(O)n2)c(C)n1-c1ccccc1Br	777460025	CWZCPUSHFMWBOL-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1	779365224	YQEYKDJQUJZIQA-GFCCVEGCSA-N	414.959	3.996	10	20	HHCD	
COc1cccc(OC)c1Oc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cn1	780902144	LOHFYKMMGBVQRV-UHFFFAOYSA-N	410.426	3.541	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1	785602018	DYSMZDXMJGZKCI-UHFFFAOYSA-N	421.463	3.826	10	20	HHCD	
COc1cccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	786765477	CVTKSZWLSQLVSD-GOSISDBHSA-N	409.530	3.521	10	20	HHCD	
CCOC(=O)[C@](C)(CNCc1cc(Br)cc(OC)c1O)c1ccccc1	787436981	NCCAVXOIEAHNRP-HXUWFJFHSA-N	422.319	3.774	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3cccc(C(F)(F)F)c3O)C2=O)c1	788668078	WXEHAIPORCYFBJ-KZULUSFZSA-N	424.419	3.884	10	20	HHCD	
CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1	788909747	RSGMTCBCXMVMAQ-NMNUPHIUSA-N	411.546	3.642	10	20	HHCD	
CC(C)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1	790165431	YASGMBJQAFLTBI-UHFFFAOYSA-N	408.951	3.779	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C	790411873	SDIPMJOAQMFUPS-UHFFFAOYSA-N	407.879	3.739	10	20	HHCD	
O=C(Cc1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1)NCCO	796328296	FEQKQKYPDVSOBG-UHFFFAOYSA-N	415.537	3.512	10	20	HHCD	
CNC(=O)CC1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	799994360	KZMTZEQFMNLFBB-MRXNPFEDSA-N	420.985	3.634	10	20	HHCD	
COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	804368230	AWFHQHDXGNKMDW-IBGZPJMESA-N	412.383	3.801	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc3nc(C(F)F)sc3c2)c1	804721965	APGKLZSHZIODSO-UHFFFAOYSA-N	413.427	3.563	10	20	HHCD	
CC[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1cc(Cl)cc(Cl)c1O	806165447	KMVXNQUQPVGDGQ-INIZCTEOSA-N	410.301	3.820	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(-c3ccccn3)cc2)C2CC2)cc1	810353617	OEFXSHABYHNWEI-UHFFFAOYSA-N	414.509	3.944	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cn(C(C)C)cn2)c(C)n1-c1ccc2c(c1)OCCO2	811213633	BOPBXZUWTCZTGX-UHFFFAOYSA-N	423.469	3.682	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1	817030188	ZZKYYSWQMKUECQ-ZRDIBKRKSA-N	424.478	3.692	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1OC	915222438	HIRSIKDJKXXYAI-UHFFFAOYSA-N	424.475	3.776	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1	916662570	BAKTZNAWBKIPIO-IDUWFGFVSA-N	401.465	3.838	10	20	HHCD	
CC(C)CN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)CC(C)C	917038028	OUXJZYAHVLAEDW-RTBURBONSA-N	407.574	3.670	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC[C@H]1Cc2ccccc21	918073743	JBQIHBHKIBIOSN-QGZVFWFLSA-N	419.447	3.681	10	20	HHCD	
Cc1ccc(SCCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	918187803	BAWFLXJECYHKOH-UHFFFAOYSA-N	413.587	3.795	10	20	HHCD	
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	920873080	KSYNRHGWSNVNJP-INIZCTEOSA-N	410.518	3.923	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC2CCN(CCN(C)C)CC2)c1	1339080709	HSDZAGIHJXIDIM-UHFFFAOYSA-N	416.997	3.751	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)c3nc4ccccc4s3)CC2)cc1	7906706	BDBVJCJZXSSSPI-QGZVFWFLSA-N	424.570	3.647	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	27579953	NTUBCJDXWYGZBS-NRFANRHFSA-N	408.498	3.583	10	20	HHCD	
Cc1nc(-c2cccnc2)nc(NCc2ccc(N3CCC(CO)CC3)cc2)c1C	301307284	ZQXAOMPUNLDNQJ-UHFFFAOYSA-N	403.530	3.976	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCC(=O)O	210444292	GIQRSXFLTMEKCM-ATVHPVEESA-N	415.492	3.955	10	20	HHCD	
O=C(Cc1ccccc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1	97576305	HDWDXEAJJXXEPX-QGZVFWFLSA-N	404.304	3.905	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	97576230	KPCWBAXITCJJEK-GGAORHGYSA-N	420.509	3.864	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1F	806634006	HABQXAVWMCLCRF-DEOSSOPVSA-N	410.537	3.699	10	20	HHCD	
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807837640	YZOJRSHMZXIUMS-QGZVFWFLSA-N	407.297	3.815	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1	802473731	ZOILYCJNLKNRTO-QFIPXVFZSA-N	423.557	3.938	10	20	HHCD	
CCc1sc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1Br	815097107	OJSWZLXDASRCRF-UHFFFAOYSA-N	409.349	3.840	10	20	HHCD	
CN1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)[C@@H](c2ccccc2)C1	728195980	MXVQMSDOQMTZDX-JOCHJYFZSA-N	402.494	3.818	10	20	HHCD	
CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(N(C)C)nc3)sc2C)cc1	811822794	HNPLAIWPFFLTJN-UHFFFAOYSA-N	418.544	3.779	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(N4CCC(C)CC4)nc3)CC2)cc1	727105421	BBLWAYNLGWZDQH-UHFFFAOYSA-N	408.546	3.725	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C(C)(C)CO)c(C)n1-c1ccc(Br)cc1	726668438	JKMKNQOLZLXMGE-UHFFFAOYSA-N	408.292	3.601	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)c1	728979266	DLHRXTVTTMGKAY-CQSZACIVSA-N	411.454	3.634	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C(=O)N3CCCC3)C(C)C)ccc21	728640014	VAYQCXKKENYOBI-OAQYLSRUSA-N	400.519	3.708	10	20	HHCD	
COc1ccc(-c2noc(CCCC(=O)N[C@H](C)c3cc(OC)ccc3O)n2)cc1	728977870	GGZJEOIEKVWFIT-CQSZACIVSA-N	411.458	3.660	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)N[C@H](C)c3cccs3)cc2F)CC1	730156367	IWHIXAJINYQAAF-OAHLLOKOSA-N	406.596	3.754	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C)c(OC)c3C)cc2F)CC1	730134082	MOKLDXDHVSZFAU-UHFFFAOYSA-N	414.525	3.915	10	20	HHCD	
Cc1ccc(C2(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CCOCC2)cc1	731980113	SLNFAQOCIFUNFK-FQEVSTJZSA-N	408.542	3.757	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCSc3ccc(F)cc3)cc2F)CC1	730194880	RXRLLHZNCIWSNH-UHFFFAOYSA-N	419.541	3.905	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)ccc21	746986137	XQDROSBEZLROMN-NRFANRHFSA-N	407.493	3.530	10	20	HHCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC	743870254	NMSCRINKSXUMLV-SFHVURJKSA-N	411.546	3.652	10	20	HHCD	
CC[C@H]1Oc2cc([C@@H](C)NC(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2NC1=O	745933140	TVPSXFQIRUGTAS-FOIQADDNSA-N	410.518	3.765	10	20	HHCD	
O=C(CSCc1cccnc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801581	RDCCRHQGXDPYNH-INIZCTEOSA-N	407.486	3.701	10	20	HHCD	
O=C(NCc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)c(F)c1	918167857	MJAIYWSGCLEYOE-UHFFFAOYSA-N	411.399	3.681	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)c1O	743916237	WVMYYCRMQWHRCI-UHFFFAOYSA-N	402.516	3.606	10	20	HHCD	
CCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)nnn1-c1ccc(OC(C)C)cc1	741210994	GJHHBVLEIOFVLS-UHFFFAOYSA-N	421.545	3.955	10	20	HHCD	
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)NCc1ccccc1O	748443442	OZYNWIAHWVBHGV-UHFFFAOYSA-N	421.453	3.983	10	20	HHCD	
O=C(NCCCc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)c(F)c1	749419557	JFGXIRZCJWQHRW-UHFFFAOYSA-N	405.901	3.748	10	20	HHCD	
Cc1sc2ncn(CC(=O)N(Cc3ccco3)Cc3ccccc3O)c(=O)c2c1C	743431295	VBSSTVHNHDXWLD-UHFFFAOYSA-N	423.494	3.602	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCCN(Cc2cccs2)C1	740911299	HNEWPYIQJSZNRR-FQEVSTJZSA-N	410.587	3.836	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(COC3CCCCC3)c2)c1	921204572	FMKAYAFOEIWERR-UHFFFAOYSA-N	418.515	3.865	10	20	HHCD	
C[C@@H](NCc1ccccc1N1CCOCC1)c1cc(Br)cc(F)c1O	756482714	KFHPOIAFTSATEP-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
Cc1ccc(NC(=O)Cc2nc(COC(=O)/C=C/c3ccc(O)c(O)c3)cs2)cc1	759596957	XIMZEDKCTAIRLA-WEVVVXLNSA-N	424.478	3.801	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@H](C2CCOCC2)C1	755064961	TUGGUYODMGZQLH-KRWDZBQOSA-N	423.504	3.715	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)c(C)n1-c1ccccn1	758603858	QTAIVYSNGVPVBH-HXUWFJFHSA-N	403.482	3.603	10	20	HHCD	
COc1ccc([C@H](CN[C@@H](C)c2cc(Cl)ccc2O)N2CCOCC2)cc1OC	756363410	OBYQCZRMQFLBHN-KXBFYZLASA-N	420.937	3.787	10	20	HHCD	
C[C@H](NCCN1CC[C@@H](C)C1)c1cc(Br)cc(Br)c1O	756630331	URMGQJFBXNAJLH-MNOVXSKESA-N	406.162	3.910	10	20	HHCD	
Cc1cc(CC(=O)NCCN2C(=O)Cc3ccccc32)c(C)n1-c1ccc(Cl)cc1	751219857	KYMMYWSMSKVMHE-UHFFFAOYSA-N	421.928	3.996	10	20	HHCD	
COc1ccc(COCCCC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	760378232	ZAYTYHHGOJDVRL-UHFFFAOYSA-N	412.530	3.740	10	20	HHCD	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1	769471021	PZPZMXJCDNRAIK-UHFFFAOYSA-N	417.465	3.925	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O	763308287	UCPKNGMTQBEREE-VWLOTQADSA-N	405.542	3.783	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cnn(-c2cnc3ccccc3n2)c1	760030103	FWQZRCHNARTXDM-UHFFFAOYSA-N	411.469	3.513	10	20	HHCD	
CCOc1ccc(O)c(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1	768319424	OBHIJMAFWAXNMX-UHFFFAOYSA-N	400.494	3.767	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c1	769873714	VNIZQMKQXBRYJP-UHFFFAOYSA-N	422.934	3.512	10	20	HHCD	
CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1	769035887	XWSCQRKZPPHYTK-UHFFFAOYSA-N	423.601	3.975	10	20	HHCD	
C[C@H]1CCC[C@@H](C)CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769915672	ANTJRTBUBBBLOY-KGLIPLIRSA-N	408.545	3.905	10	20	HHCD	
C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4c(O)cccc4Cl)CC3)cc2NC1=O	769314981	SKUVXNZTGLLVPZ-CYBMUJFWSA-N	414.889	3.860	10	20	HHCD	
Oc1nc(/C(Cl)=C/c2cccc3nccn23)nc2c1=CC(c1ccccc1)=S=2	769606927	FTZNIMIBMQTEPJ-WJDWOHSUSA-N	404.882	3.566	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2ccc(F)cc2)on1	762226682	XDMVFALCDZPQID-UHFFFAOYSA-N	409.461	3.619	10	20	HHCD	
C[C@@H](NCc1cccc(OCCN(C)C)c1)c1ccc(N2CCOCC2)cc1Cl	765058470	HUCXXIVJPQGITL-GOSISDBHSA-N	417.981	3.968	10	20	HHCD	
Cc1cccc(C(=O)NCCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	765252739	AZYVOCHFOOOZNV-QGZVFWFLSA-N	401.938	3.566	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cnn2c(-c3ccccc3)ccnc12	765769508	MNJXXROWRVGARP-UHFFFAOYSA-N	423.270	3.794	10	20	HHCD	
Cc1nc(CC(C)C)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1	761682362	LAFFKZUKVRTEAQ-UHFFFAOYSA-N	406.527	3.947	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F	776012865	KJLKXMRTPGBKOJ-HNNXBMFYSA-N	420.334	3.845	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccccc1)CC(C)(C)O)c1ccc(N2CCOCC2)cc1	776038842	LHKMZKRSGOOLNJ-LJQANCHMSA-N	411.546	3.567	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC2CCC3(CC2)OCCO3)NC(=O)OC(C)(C)C)cc1	775541208	UAGBHFFSIPCCKB-HXUWFJFHSA-N	419.566	3.594	10	20	HHCD	
C[C@@H](NC(=O)Nc1c(-c2cnn(C)c2)nc2ccccn12)c1ccc(N(C)C)cc1	775669676	GZMFVHYYXJWCBT-OAHLLOKOSA-N	403.490	3.684	10	20	HHCD	
C[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C1CCN(C)CC1	777302457	PTTXUZXWLGGUBD-DYESRHJHSA-N	404.599	3.638	10	20	HHCD	
CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788908765	AKBFDCYNYNLJKQ-IBGZPJMESA-N	407.558	3.774	10	20	HHCD	
O=C(N[C@H]1CCOc2c(F)cccc21)N(Cc1ccccc1O)C[C@H]1CCCO1	785976151	VNDYRKNIBFCSLJ-APWZRJJASA-N	400.450	3.746	10	20	HHCD	
O=Cc1cccc(OCc2ccccc2C(=O)OCC(=O)c2ccc(O)c(O)c2)c1	783608339	PDNCABODPRIMDL-UHFFFAOYSA-N	406.390	3.529	10	20	HHCD	
CCOc1ccc(NCc2cc(C)ccc2O)cc1S(=O)(=O)N1CCCCC1	796403857	DLESAULSMMUTES-UHFFFAOYSA-N	404.532	3.886	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccccc3-n3ccnn3)cc2F)C[C@@H](C)O1	796695227	NVRAFPIFWVMRGU-KZNAEPCWSA-N	409.509	3.871	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccnc(NC(=O)C3CC3)c2)cc1	795057328	AQTXWLBZPDGXHT-UHFFFAOYSA-N	418.497	3.932	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cc(F)c(Br)cc1F	792703459	XGXUGPCJXKADRE-UHFFFAOYSA-N	410.261	3.956	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(CCc3ccc(F)cc3)C2=O)oc1C	790590078	ISWGHWKZYGIXEM-YBEGLDIGSA-N	405.472	3.958	10	20	HHCD	
CN1CCN(c2ccc(CN(CCc3ccccn3)Cc3ccncc3)cc2F)CC1	1325733649	MVHLDAWFPXCZQA-UHFFFAOYSA-N	419.548	3.612	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c(C)n1-c1ccccn1	1327676362	WFLRGMCKOPVDRB-OAHLLOKOSA-N	400.523	3.722	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Cn2c(-c3ccc(Cl)cc3)n[nH]c2=S)cc1	18215397	PXYTZNWSSSKKLN-UHFFFAOYSA-N	401.923	3.643	10	20	HHCD	
COc1ccc(-c2nnc(SCC(=O)NCc3ccc(N4CCCC4)cc3)o2)cc1	28333914	LDHFLPJVKAHIOJ-UHFFFAOYSA-N	424.526	3.754	10	20	HHCD	
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65435282	DTTJNKIMUVEBIX-QGZVFWFLSA-N	411.502	3.545	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(OC)c(NC(N)=O)c3)ccc21	427948620	GKIBRQAKCZTREH-UHFFFAOYSA-N	410.474	3.656	10	20	HHCD	
Cc1nc2ccc(Br)cn2c1C(=O)N1CCOc2cc(N(C)C)ccc21	476218257	MUBSCATZLXQBMJ-UHFFFAOYSA-N	415.291	3.510	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2cncc(Br)c2)CC1	530430953	UXXSZXVSBGTAPL-UHFFFAOYSA-N	412.287	3.667	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccccc3Br)CC2)cc1	726708362	LXYGCTGHRSOUCG-UHFFFAOYSA-N	418.379	3.760	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)c(C)o1	727479006	YPMFEZSNAUGTFK-UHFFFAOYSA-N	424.545	3.601	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(Cc3ccccc3OC)CC2)cc1	728129734	KKQQSBOLVWDUEU-UHFFFAOYSA-N	410.562	3.569	10	20	HHCD	
CC(C)[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	728466918	CGNNXQUANYULFI-JTHBVZDNSA-N	407.558	3.834	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	728469432	PVRMWPKIBDGLQW-GJZGRUSLSA-N	415.465	3.548	10	20	HHCD	
C[C@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1	729346290	OEYJYCJBQZXPPX-QGZVFWFLSA-N	418.534	3.685	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1	730666355	AXDJGQNFZCOFSP-NSHDSACASA-N	402.451	3.865	10	20	HHCD	
CC[C@@H](Cc1ccccc1)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	732729838	IXDYBPBZWNMHTH-QFIPXVFZSA-N	409.574	3.592	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1C	732785563	YCWZLFTVQNWSMA-GOSISDBHSA-N	407.436	3.638	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)c1	734074898	XROQUUVWWDSERD-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1	734687418	ZRCQTQVISVNTKL-UHFFFAOYSA-N	412.509	3.760	10	20	HHCD	
Cc1ccc(Br)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	742079363	FJFQNKKPNFOFMM-UHFFFAOYSA-N	417.347	3.896	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cn2)NC(=O)OC(C)(C)C)cc1	742750519	DEFLFKBLYYUANM-GOSISDBHSA-N	418.925	3.797	10	20	HHCD	
C[C@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCN(C(=O)c2ccccc2)C1	743719331	YGCMYVNPNKFAKU-VWLOTQADSA-N	406.526	3.830	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(C(=O)N(C)C)c1	743808101	QECACGHFAMWLBP-UHFFFAOYSA-N	405.292	3.519	10	20	HHCD	
CC1CCC(N2C[C@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)CC2=O)CC1	751307323	IYEQJNKTYQROOC-LXPRWKDFSA-N	417.513	3.762	10	20	HHCD	
CN1CCc2cc(/C=C3/NC(=S)N(c4ccccc4C(F)(F)F)C3=O)ccc21	751522939	HMTCESPLCSSEJX-RVDMUPIBSA-N	403.429	3.960	10	20	HHCD	
COC(=O)c1ccc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1F	751937738	VMFYKFZNTTVWSI-UHFFFAOYSA-N	400.431	3.599	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1	752951484	UKGDBSGYYPFFCT-ALCCZGGFSA-N	419.359	3.582	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4s3)CC2)cc1F	753729571	BRDVFJMAMMXKGO-UHFFFAOYSA-N	417.531	3.885	10	20	HHCD	
O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754549998	CBIHMLRBQJJJNN-INIZCTEOSA-N	424.456	3.992	10	20	HHCD	
Cc1cnn(-c2ccc(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)cc2F)c1	757552239	TXXYUUOGKGEJDS-UHFFFAOYSA-N	415.475	3.639	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](CCO)c2ccccc2Br)c1	757639462	PCBTURPZWGZBNF-PXAZEXFGSA-N	408.292	3.716	10	20	HHCD	
COc1cc(Br)cc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1O	758527183	HDUWNMQNSVLXAH-LPHOPBHVSA-N	410.283	3.558	10	20	HHCD	
COC(=O)c1cn([C@H]2CCN(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C2)nn1	760543074	XFYMZGPPNTWCQR-KRWDZBQOSA-N	414.550	3.812	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C	761895253	ZFJNDFBVXXTIKJ-UHFFFAOYSA-N	406.486	3.608	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)cc2F)C[C@@H](C)O1	763479250	SWJIDGOGGJBJLS-VWFIUDSGSA-N	421.557	3.832	10	20	HHCD	
CC(C)=CC(=O)NCc1ccc(C(=O)NCc2cccc(Br)c2O)cc1	765764461	KKLBVJSSYWUAKS-UHFFFAOYSA-N	417.303	3.667	10	20	HHCD	
C[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(N2CCCCC2)cc1	766560337	QBRCQTGKRXAGFK-HNNXBMFYSA-N	419.513	3.642	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)C1CCC(NC(=O)OC(C)(C)C)CC1	769566160	VPKPBSUXGAUWDW-UHFFFAOYSA-N	421.557	3.930	10	20	HHCD	
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	769899198	HHGBLIPPDKESEP-QRWLVFNGSA-N	402.516	3.686	10	20	HHCD	
C[C@@H](NC(=O)Cc1cc(F)ccc1Br)c1ccc(N2CCOCC2)cc1	771255311	XMVMVQYFCDMUOM-CQSZACIVSA-N	421.310	3.845	10	20	HHCD	
COCCN(C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1	774015489	OCUFMQVRVZTYBC-LJQANCHMSA-N	416.503	3.769	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)c(Cl)n1	774088858	KYMFZWMYPSMJJT-AWEZNQCLSA-N	409.873	3.943	10	20	HHCD	
C[C@H](NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	775261477	VHBQJGRYMVSXOH-KKSFZXQISA-N	408.464	3.796	10	20	HHCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	775286390	GRGPGVKLGCXIDS-UHFFFAOYSA-N	409.769	3.652	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H](C)c2ccc(Br)cc2)c1	775370780	IEQUBBCZYYYRCP-STQMWFEESA-N	407.308	3.691	10	20	HHCD	
CCn1c(NC(=O)/C=C/c2ccc(O)c(O)c2)nc2cc(Br)ccc21	779547401	KCDXZCSLCJGHFE-XBXARRHUSA-N	402.248	3.882	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(N2CCOCC2)cc1	781373705	ULHIFAFREXPDQQ-ZVDOUQERSA-N	414.594	3.536	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H]3CCN(c4cc(OC)cc(OC)c4)C3)CC2)cc1	781517409	DYDADAPSSZEYHI-LJQANCHMSA-N	411.546	3.550	10	20	HHCD	
Cc1cc(F)ccc1-n1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	783590184	AFYCHYXJOAYGBW-IBGZPJMESA-N	409.461	3.847	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)C2CCCCC2)cc1	784059275	JFZYODOGMVXMMR-UHFFFAOYSA-N	403.486	3.963	10	20	HHCD	
O=C(NCCCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(N2CC=CC2)cc1	784335213	NCLCDUKVSGLCSK-UHFFFAOYSA-N	421.476	3.684	10	20	HHCD	
CC(C)C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1	785433623	OARSOZSRZGJBTE-FQEVSTJZSA-N	401.938	3.926	10	20	HHCD	
COc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cc(Br)c1OC	786408874	JJIAXHFGVVDGCV-UHFFFAOYSA-N	420.303	3.981	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cn1	790106321	CHFNNZZEKPXGGY-NBVRZTHBSA-N	413.568	3.608	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c(C)n1-c1ccccn1	797699716	DYQYSEWZBXCPOM-LJQANCHMSA-N	402.498	3.614	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccccc2F)nc1-c1ccc2c(c1)CCC(=O)N2	799186631	DUOXIYYIODPIRE-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N2CCc3cc(F)ccc32)cc1	802551096	NNVRMJSTEMCPHN-UHFFFAOYSA-N	421.472	3.603	10	20	HHCD	
CCOC(=O)c1nc(=NCc2ccc(N3CCSCC3)cc2)cc(C(C)(C)C)[nH]1	804357445	AWKDIYFLBMDPML-UHFFFAOYSA-N	414.575	3.538	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCCc1cccc(F)c1	805235405	AMSGJPLWZQLJBM-UHFFFAOYSA-N	411.521	3.523	10	20	HHCD	
COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1Cl	808065568	ZVPRCMMFYADEFI-UHFFFAOYSA-N	420.270	3.548	10	20	HHCD	
Cc1oc2c(CN(C)Cc3nncn3C)c(O)ccc2c(=O)c1-c1ccccc1Cl	808218642	XIVBKCMGRQARIL-UHFFFAOYSA-N	424.888	3.888	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc(Cl)cc(C)c3O)C2=O)c(OC)c1	808717815	JGHGUXVMTBWRJR-IFXJQAMLSA-N	418.921	3.823	10	20	HHCD	
O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1Cc1cc(-c2ccccc2)ccc1O	809708222	AZIFDXDIPHQFOO-VXKWHMMOSA-N	410.514	3.929	10	20	HHCD	
CC[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1O	810212995	JKFKUECZNPBQRY-BBRMVZONSA-N	413.392	3.620	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)SC1=S	814269015	LGSUZASSQBIHOH-GDNBJRDFSA-N	408.501	3.873	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)c1	815017563	OLHWXRUNEDPYDV-LBPRGKRZSA-N	406.891	3.950	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1	915329432	VJYLYFAGQQVHLJ-UHFFFAOYSA-N	409.578	3.949	10	20	HHCD	
Cc1ccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1	917711724	UZHIAMIGBHYNJU-ROUUACIJSA-N	400.494	3.751	10	20	HHCD	
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1	918190555	JUMYZSZQWDUAHN-UHFFFAOYSA-N	415.374	3.936	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)cc1	918625179	SNCDOINKKBQZIH-UHFFFAOYSA-N	422.573	3.961	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C(F)(F)c1cccc(Cl)c1	921096953	NRXIQNYCIOSYNS-UHFFFAOYSA-N	410.848	3.700	10	20	HHCD	
CC(C)CN(CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C	1319655586	SLOBJGQKURBTOQ-GOSISDBHSA-N	419.566	3.594	10	20	HHCD	
Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O	1320163756	VAYADAOCNIATJY-GOSISDBHSA-N	422.529	3.841	10	20	HHCD	
CC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1	10619002	LRCLBOIAYPWBJY-HXUWFJFHSA-N	410.514	3.695	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1	27437531	OSKVSMODZIVTLW-UHFFFAOYSA-N	415.950	3.942	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(F)c(-n4nnnc4C)c3)c2C)cc1	110731532	UNNPIQVHLSUTGF-UHFFFAOYSA-N	420.448	3.778	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)cc1	303570697	BMFCRZWPSSWICW-UHFFFAOYSA-N	423.538	3.547	10	20	HHCD	
CC(C)NC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	148487381	CDLFGZKBJYOFDY-QGZVFWFLSA-N	410.518	3.544	10	20	HHCD	
Cc1ccccc1C1(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	804356652	MCGZWFUEIMKQKF-UHFFFAOYSA-N	418.493	3.670	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@@H]1CCCC(F)(F)C1	809764210	UPFXJOKPDKBMSZ-GOSISDBHSA-N	407.505	3.577	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCc2cc(OC)ccc21	807689825	LDROCIGHNSHUBB-LJQANCHMSA-N	424.541	3.766	10	20	HHCD	
COc1cc(Br)cc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1O	809790221	CXABPVOULYDAEZ-FQEVSTJZSA-N	424.310	3.730	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(CNC(N)=O)cc3)cc2Cl)C1	800343483	SGOIPUVFIDGFBR-OAHLLOKOSA-N	414.937	3.675	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2cnc(NC(=O)OC(C)(C)C)s2)cc1	800520635	HAAQJIMKZRPFLY-UHFFFAOYSA-N	407.492	3.678	10	20	HHCD	
COc1cc(C)cc(CNC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1	803677759	SBXHLXCTUJJJCF-UHFFFAOYSA-N	423.557	3.705	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CN3Cc4ccccc4C3=O)cc2Cl)C1	800343905	HQIVREUYCOQKIB-MRXNPFEDSA-N	411.933	3.849	10	20	HHCD	
Cc1ccc([C@@H](O)c2ccccn2)cc1NCc1ccc(N2CCN(C)CC2)cc1	812846979	UPDAOBCDEAFQPV-RUZDIDTESA-N	402.542	3.836	10	20	HHCD	
CN(C)C(=O)[C@@H]1CCCN1CCCN[C@H](CCc1ccccc1)c1ccccc1O	815573666	PWQHHZXKMKCBOV-PKTZIBPZSA-N	409.574	3.598	10	20	HHCD	
Cc1c(Br)cc(NCc2ccc(N3CCOCC3)cc2)cc1C(=O)O	813358396	ZHNJNDDAIQEFBL-UHFFFAOYSA-N	405.292	3.904	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)NCc1c(C)c2ccccc2n1C	573398455	VVGBUCBCTKIRCP-HXUWFJFHSA-N	421.545	3.587	10	20	HHCD	
COc1ccccc1CN(OC)C(=O)NCc1ccc(N2CCSCC2)cc1	812005332	FQCOLMRZBWTHSD-UHFFFAOYSA-N	401.532	3.522	10	20	HHCD	
O=C(Nc1cc(F)ccc1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O	728139276	ZMDNCBDWRZKIQE-UHFFFAOYSA-N	402.809	3.945	10	20	HHCD	
O=C(NCc1ccc(Cl)nc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726609846	GDLJNGYXKWOOGR-UHFFFAOYSA-N	410.852	3.805	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)cc1	726560852	SRFBPMGWSZPETR-UHFFFAOYSA-N	401.488	3.724	10	20	HHCD	
CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCSCC2)cc1	728515938	ALLDLKNEQUMHCL-UHFFFAOYSA-N	422.554	3.754	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cnn(Cc4ccccc4)c3)CC2)cc1	726713216	LEWDVNUJAFKPAG-UHFFFAOYSA-N	405.502	3.731	10	20	HHCD	
Cc1cnn(CCCCCOC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1	733386779	VUXKKJANRRTYGV-UHFFFAOYSA-N	402.450	3.994	10	20	HHCD	
Cc1ccc(OC2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1	735093286	JLROLCMWZKRGCX-UHFFFAOYSA-N	409.530	3.585	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(Cl)nc(N4CCCC4)c3)CC2)cc1	732934579	ONXYHWULRNYZFH-UHFFFAOYSA-N	414.937	3.696	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c2c(C)noc2n1	836476981	ICLCBTFNZDIPQO-IBGZPJMESA-N	408.502	3.727	10	20	HHCD	
CCc1cccc(CC)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1	736063027	BZVCKYQHXUHXBL-UHFFFAOYSA-N	410.561	3.682	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccc(-n4ccnc4)nc3)cc2)CC1	731049555	BNIXGWQQDAKIBZ-UHFFFAOYSA-N	404.518	3.503	10	20	HHCD	
COCc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1F	730906832	OTKRDTWXQZXSSS-LJQANCHMSA-N	402.466	3.569	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)cc1	735424954	VYXSCRBVJUWBMF-UHFFFAOYSA-N	417.282	3.770	10	20	HHCD	
CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3cccs3)n2)cc1	731058906	FSBQAQPOFJFJMH-UHFFFAOYSA-N	421.569	3.741	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCCN(C[C@H]4CCCO4)CC3)c2C)c1	738320118	ZNLLSTCIMAGVQK-HSZRJFAPSA-N	409.574	3.772	10	20	HHCD	
CC(C)CNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	731048017	CLHABDKXXMYHCD-UHFFFAOYSA-N	414.594	3.617	10	20	HHCD	
COCCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1	915222606	MXZZUXKTPRUVKX-UHFFFAOYSA-N	404.513	3.808	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C[C@H]3CCCO3)CC2)c(C)n1-c1ccc2c(c1)CCC2	740942344	BYJCTZZBKVRWHQ-XMMPIXPASA-N	421.585	3.562	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)CC2)cc1	747218266	QEBUARORCDTWOT-QHCPKHFHSA-N	411.521	3.584	10	20	HHCD	
Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1NC(=O)c1ccncc1	743869777	YJKIUHYFNXTODC-UHFFFAOYSA-N	416.481	3.731	10	20	HHCD	
CCN(CC)Cc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1	918699578	MNCQPZIIEMHWSR-IAGOWNOFSA-N	417.525	3.804	10	20	HHCD	
C[C@@H](O)c1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	745789973	DZDUUXKAIFTANA-QAPCUYQASA-N	419.472	3.810	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(-c4ccccc4)c3)cc2F)C[C@H](C)O1	741392039	GTHBBTQEOYZSEL-IRXDYDNUSA-N	423.492	3.947	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c(C)n1-c1ccccc1	916220859	FLBMRQKENLZHQV-QFIPXVFZSA-N	422.573	3.584	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1	916436236	YTJSLKQAOHCQGN-XMMPIXPASA-N	424.589	3.666	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	741091135	YQUFNGDWUZSVND-QFIPXVFZSA-N	407.514	3.659	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccccc1[N+](=O)[O-]	745880951	MTRDHXNWHANMMF-UHFFFAOYSA-N	422.279	3.837	10	20	HHCD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	742644440	GQNUFIFCUNHGNM-LEDOBFOHSA-N	419.585	3.958	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CNC(C)(C)c3cccs3)cc2F)C[C@H](C)O1	754821484	VEVCLGORGPBADY-HOTGVXAUSA-N	419.566	3.642	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3cc(F)ccc3O)CC2)cc1	756495578	LNBIFIWSSQVHNU-OAHLLOKOSA-N	406.523	3.645	10	20	HHCD	
CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	757624125	QXZVMFKHFZQFQV-ZIAGYGMSSA-N	407.492	3.691	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(-c2ccccc2)on1	754452294	CCVPWGRNRSFAFJ-UHFFFAOYSA-N	410.449	3.764	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C)c(Br)c2)c1	751317470	FJHYYGNVWOFMKG-LLVKDONJSA-N	400.294	3.511	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)cc1F	753842181	WPAMYBLJSRYTGO-UHFFFAOYSA-N	407.449	3.645	10	20	HHCD	
COc1ccc2c(c1)OC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C2	750874313	ISHJQLVUHNEQRR-OFNKIYASSA-N	424.541	3.520	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4ccc(Cl)cc4n3)cc2)C1	752296159	MJUWMJPPMZUSHC-KRWDZBQOSA-N	422.916	3.520	10	20	HHCD	
COc1ccc(C)cc1CSCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	759056430	UDFZNKPBELXLGW-UHFFFAOYSA-N	418.534	3.529	10	20	HHCD	
C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)CCC1CCOCC1	757842652	ZQMKQJFHIPAPLA-MRXNPFEDSA-N	420.509	3.538	10	20	HHCD	
O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2cc3c(cc2O)CCCC3)CC1	768443581	SVXQOPNCCNZVQY-UHFFFAOYSA-N	403.526	3.639	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)NCc3cccc(Br)c3O)cnc21	765235554	WCBKQGAREVDTMG-UHFFFAOYSA-N	404.268	3.802	10	20	HHCD	
COC[C@@H]1CCCCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	767948429	NGTWAJQWBABUEW-IAGOWNOFSA-N	420.509	3.538	10	20	HHCD	
Cc1ccc(C(=O)NCCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	765266515	NHABOWGVLKFCFZ-KRWDZBQOSA-N	401.938	3.566	10	20	HHCD	
Cc1ccc(O)c(CN2CCN(Cc3nc(O)c4c5c(sc4n3)CCCC5)CC2)c1	768179487	HSDZISUXQZWHKV-UHFFFAOYSA-N	424.570	3.608	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCC(O)(c2ccccc2)CC1	761418501	IEUOTCJANOCEJJ-UHFFFAOYSA-N	414.889	3.640	10	20	HHCD	
O=C(/C=C/c1ccc(Cl)nc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761984096	WHJYIAULYFXKHJ-AUNFYEFLSA-N	406.313	3.888	10	20	HHCD	
O=C(CCOc1ccc(Cl)cc1Br)NCc1ccc(O)c(O)c1	778923704	QGUFJTSFLVRPCA-UHFFFAOYSA-N	400.656	3.599	10	20	HHCD	
COC(=O)c1coc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	774128698	CVSCPTSLVHGFHU-CYBMUJFWSA-N	412.408	3.772	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cc([N+](=O)[O-])ccc1O	774509405	PONUHMGGHSHMRF-ZBEGNZNMSA-N	420.263	3.519	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c(C)n1	783487178	VNOGPSZROHWUCO-INIZCTEOSA-N	404.470	3.714	10	20	HHCD	
Cn1cnc2cc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)ccc21	782897556	YMMSCXDGJWMROJ-UHFFFAOYSA-N	406.486	3.579	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3ncnn3CC(F)F)c2C)cc1F	786205913	RCQCCTPDBJZTHS-UHFFFAOYSA-N	419.451	3.713	10	20	HHCD	
C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1cc2c(cc1O)CCCC2	794829360	RDPKUFJBBMYVQM-CWTRNNRKSA-N	403.320	3.911	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC2(CCOCC2)O1	790504013	FMERAXKQSQANLZ-LJQANCHMSA-N	415.578	3.935	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3ccc4c(c3)CCO4)cc2F)C[C@H](C)O1	1322457952	UXBBVPTZCQOGOY-IRXDYDNUSA-N	412.505	3.623	10	20	HHCD	
O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(N2CCOCC2)cc1	12554701	ZREPJPLVZMVVBL-PDGQHHTCSA-N	413.271	3.630	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCOc2cccc(NC(C)=O)c2)cc1F	303311291	FRIYZVCZVMFORV-UHFFFAOYSA-N	416.497	3.509	10	20	HHCD	
CC(C)c1ccccc1OCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	303495964	TZSUFLDVVUYZRV-UHFFFAOYSA-N	411.546	3.867	10	20	HHCD	
COc1cc(C(=O)NCc2c(C)c3ccccc3n2C)ccc1OCc1cnn(C)c1	471230479	ROHCRCKMMAJCSQ-UHFFFAOYSA-N	418.497	3.738	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)n(C)c2ccccc12	502992197	OZJTWDANILGXDP-TZIWHRDSSA-N	403.526	3.631	10	20	HHCD	
CC(=O)N(Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1)C(C)C	541096971	LMNJIVLLEIAWJL-UHFFFAOYSA-N	410.518	3.940	10	20	HHCD	
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	726289437	ZTZGTXXFDNGXPQ-UHFFFAOYSA-N	402.498	3.720	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cc(OC)c4c(c3)OCO4)SC2=S)cc1F	726628883	FORIBXMGTQUWDV-FRKPEAEDSA-N	419.455	3.977	10	20	HHCD	
COc1ccc(NC(=S)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl	726902606	KNYQUUKYNWBAHG-UHFFFAOYSA-N	423.941	3.935	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)ccc21	732008248	ULRNHSFZDRRHRY-HNNXBMFYSA-N	417.550	3.890	10	20	HHCD	
CCSc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	733850845	SMNKTTGODWBJFH-SFHVURJKSA-N	414.527	3.651	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN([C@H](C)c3cccnc3)CC2)cc1F	734170292	HKDLCZOWXSOFRN-GOSISDBHSA-N	413.541	3.655	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1	734406140	NDTRFUUVWSZRTC-UHFFFAOYSA-N	412.511	3.558	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCN(c4ccccc4)C3)CC2)cc1	734675018	ABYKVBUIJPEBOH-HXUWFJFHSA-N	408.546	3.586	10	20	HHCD	
CS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1	735378266	BSFAOCIUEIDECB-XYVMCAHJSA-N	409.571	3.913	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ncccn2)c(C)n1-c1cccc(C(F)(F)F)c1	741036322	ISPSPMUAEZHPSK-UHFFFAOYSA-N	403.360	3.943	10	20	HHCD	
CC(C)c1cc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)on1	743613632	HSWIQEPCQSLIFM-AWEZNQCLSA-N	408.449	3.868	10	20	HHCD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C1/SC(N2CCOCC2)=NC1=O	747148247	SDLYFVNZXBTDNU-XNTDXEJSSA-N	423.325	3.790	10	20	HHCD	
COCCCOc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	751011529	RNNHUMCRVULJDE-GOSISDBHSA-N	413.518	3.821	10	20	HHCD	
Cc1nc(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)sc1C	751930221	BPFWIDRMIFSORH-LLVKDONJSA-N	416.528	3.573	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CC(Cc4ccccc4)C3)cc2F)C[C@H](C)O1	752896729	WYNCZQGUGAEMTM-ROUUACIJSA-N	411.521	3.823	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccnc1-c1ccccc1	755065356	QWYQRSLVGASIOM-UHFFFAOYSA-N	400.482	3.604	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc(Br)c(Cl)c1Cl	755230482	HAXKXLDBQRXOQL-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
Cc1ccc([C@H](C)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c(O)c1C	756433253	CLRXBINTGDEXAE-IBGZPJMESA-N	411.546	3.521	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	761752564	YSVZRGPCVIOITI-HNNXBMFYSA-N	421.266	3.768	10	20	HHCD	
C[C@@H]1CN(CCCN[C@H](C)c2cc(Br)cc(Cl)c2O)CCCO1	762650119	PIBMZENZBZEXHH-CHWSQXEVSA-N	405.764	3.960	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)Nc1nnc(-c2ccco2)o1	762867955	ZTVPMDWLWDKWHW-UHFFFAOYSA-N	412.427	3.594	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)cc1	764519218	IHQAGSBABPUYTM-UHFFFAOYSA-N	423.538	3.516	10	20	HHCD	
CCOc1ccc(CNC(=O)NCc2cccc(Br)c2O)cc1OC	764759620	AQIPSIOQPJHVBK-UHFFFAOYSA-N	409.280	3.561	10	20	HHCD	
COc1ccc2c(c1)CCCCN2CC(=O)N(C)CC(=O)Nc1ccccc1Cl	766270829	UYLOXFLZKRDAKY-UHFFFAOYSA-N	415.921	3.588	10	20	HHCD	
O=C1/C(=C\c2cncc(Br)c2)SC(=S)N1CCc1cccnc1	767361116	VMUOLTIBKMFXKP-VGOFMYFVSA-N	406.330	3.683	10	20	HHCD	
Cc1oc2ccccc2c1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	767939238	GCMVHIHEFMRGBW-UHFFFAOYSA-N	407.514	3.949	10	20	HHCD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1c(O)cccc1Cl	768179610	IZJFCNQKVUPHIO-QGZVFWFLSA-N	405.878	3.725	10	20	HHCD	
O=C(NC1CC(OCc2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	768445911	AGTFRVNJHGISQN-ORFBVSJDSA-N	410.514	3.831	10	20	HHCD	
CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCCCSc1nccs1	771427791	OWMDWIIYANOMSM-UHFFFAOYSA-N	419.620	3.968	10	20	HHCD	
C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(N(C)C)cc1	773016020	PXNJEIZELREPGW-GFCCVEGCSA-N	406.280	3.843	10	20	HHCD	
C[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(Cl)c(Cl)cc1O	774112831	UDJGOSMYNHDNKS-LLVKDONJSA-N	400.306	3.604	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](C)Oc2ccccc2Br)c1O	775035407	ZEJAXNXDVRMZSJ-NSHDSACASA-N	411.252	3.629	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)c1	776039697	XYLXMSYQRREVMV-JTQLQIEISA-N	414.430	3.625	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(F)F)c2)cc1	780380996	ZQZLVLHQNTYULZ-UHFFFAOYSA-N	404.460	3.577	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C3(Cc4ccc(F)cc4)CC3)cc2F)CC1	782456169	HHWPVHQBVNJHSC-UHFFFAOYSA-N	413.512	3.746	10	20	HHCD	
COc1cc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1F	783318692	ZRELQSQGPOVQHI-UHFFFAOYSA-N	401.482	3.584	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1	784109639	WLEJOZJADDGJAM-UHFFFAOYSA-N	420.513	3.558	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCCCCc3ccccc3)cc2)CC1	785664373	XWTDDSKETPBNFK-UHFFFAOYSA-N	407.558	3.678	10	20	HHCD	
CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788933692	WXGKMXLIBQSWER-UHFFFAOYSA-N	407.558	3.978	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1	788939484	KIPLEPPZKMFRLC-PZJWPPBQSA-N	411.521	3.741	10	20	HHCD	
CCC[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)sc2C1	789435777	NAZZSFHFNZODSU-ZDUSSCGKSA-N	418.538	3.508	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1	789901611	QMZYIWQZFHFOMG-QHCPKHFHSA-N	412.578	3.986	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc4c3OCC[C@@H]4OC)CC2)cc1	790572189	UUOXCZZCNWYOAD-NRFANRHFSA-N	411.502	3.956	10	20	HHCD	
COc1ccc(CNCc2cc(Br)cc(Br)c2O)c(O)c1	793389115	WNFJTDKTGRMFLM-UHFFFAOYSA-N	417.097	3.921	10	20	HHCD	
COc1ccc2cc(NCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc2c1	795291609	YYOZGVNYCHWKNR-UHFFFAOYSA-N	423.488	3.552	10	20	HHCD	
CC(=O)c1cc(CN2CC=C(c3ccc(F)cc3)CC2)c(O)c(CN2CCOCC2)c1	798190366	SSZHTUZOJLZSMJ-UHFFFAOYSA-N	424.516	3.855	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC3CCN(c4nccs4)CC3)c2C)cc1	799058114	GOAUQBUJKNVALU-UHFFFAOYSA-N	410.543	3.958	10	20	HHCD	
Cc1cncc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1	800636111	FETAHUPCHVEQMW-CQSZACIVSA-N	400.910	3.535	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2ccn(CCOC)c2c1	802610270	XXOMTQYUVHRMJJ-UHFFFAOYSA-N	423.513	3.761	10	20	HHCD	
CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCSc1nccs1	806282006	FIDRAPSOUWPMNY-UHFFFAOYSA-N	403.982	3.505	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C	807095023	IBEUPCLBZXPUBL-LJQANCHMSA-N	421.463	3.796	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1	807191246	DIRDEIZWFXHAJS-REWPJTCUSA-N	424.541	3.723	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21	807512304	RKWBADXHIVYYIM-UHFFFAOYSA-N	421.284	3.885	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C(F)F)cc3)n2)c[nH]1	808529057	CGYLPSNTKMFSNY-UHFFFAOYSA-N	413.427	3.663	10	20	HHCD	
COc1ccc(O)c(CN[C@H](C)c2ccc(Br)cc2OCCCO)c1	812782824	KNUAUMCOHNAPAI-CYBMUJFWSA-N	410.308	3.775	10	20	HHCD	
Cc1cc(CCNC(=O)CCNC(=O)Cc2ccccc2)c(C)n1-c1ccccc1	823671711	UDBPFJMMGHOAEW-UHFFFAOYSA-N	403.526	3.502	10	20	HHCD	
NC(=O)c1ccc(NCc2c(O)cccc2Br)c(OCC(F)F)c1	864012453	OPYLNHWLUVXJFC-UHFFFAOYSA-N	401.207	3.510	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N(C)[C@H](C)c3ccc(C)cc3)CC2)cc1	916197247	YBXOFZZQZKFBTL-OAQYLSRUSA-N	424.589	3.918	10	20	HHCD	
O=C(c1ccc(CSc2nc[nH]n2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	917364470	HVDCWYITGPZSPB-IBGZPJMESA-N	424.526	3.624	10	20	HHCD	
Cc1cc(C)cc(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	917406138	GJNJZLWJQWDPDC-OALUTQOASA-N	413.537	3.809	10	20	HHCD	
CCOc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	918295280	PRQXPJXLYYQKJI-UHFFFAOYSA-N	412.417	3.691	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCC3CCCCCCC3)cc2)C1	918782144	LFBPQNRTZRXMAO-HXUWFJFHSA-N	400.567	3.548	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(N2CCOCC2)cc1	920881690	XADNOFRDANWWQL-LJQANCHMSA-N	408.546	3.790	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)cc1	1319614190	MFNCKDGFHAAIEE-UHFFFAOYSA-N	400.429	3.736	10	20	HHCD	
CC(C)OC(=O)C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1	1323817681	VTZVYCGQDPYTIE-QFIPXVFZSA-N	413.537	3.750	10	20	HHCD	
CC(C)c1nc(C(=O)Nc2c(Cl)ccc3nonc23)nn1-c1ccccc1F	1324142059	VDRCIDYNRUDSTH-UHFFFAOYSA-N	400.801	3.972	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cn2cccc2)cc1	1338617710	AEGOURKNFFMCOL-UHFFFAOYSA-N	407.489	3.567	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3F)CCC2)cc1)c1cc(O)c(O)c(Cl)c1	1790777318	UIMIVTPOUBUODM-HOCLYGCPSA-N	418.852	3.857	10	20	HHCD	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)c1ccc(O)c(O)c1	10442961	HYIOFKQVSJXKOA-UHFFFAOYSA-N	422.437	3.911	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1	57512429	FBIMCGFGOJAWKB-NBILRRPASA-N	408.498	3.702	10	20	HHCD	
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	227372832	AOTYZQWUZGQZEW-NZQKXSOJSA-N	422.573	3.500	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)n(C)c2ccccc12	472808553	JQDDBTPXFWRBRZ-UHFFFAOYSA-N	402.454	3.760	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccccc2OC(F)F)n(C)c2ccccc12	556044897	ZVXBTVYIZNHGRF-AWEZNQCLSA-N	415.440	3.582	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1	725856696	UVJLOAFIMWIYMG-IYBDPMFKSA-N	418.563	3.902	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1F	726603660	KVLVSDXUQIBQJE-UHFFFAOYSA-N	418.412	3.514	10	20	HHCD	
Fc1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1-n1cncn1	726608226	UEQSKWFZHXFGPX-UHFFFAOYSA-N	417.435	3.766	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc4ccccc34)CC2)cc1	726726495	SWPRUXLYRBSBII-UHFFFAOYSA-N	403.482	3.572	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc(F)cc2Cl)cc1	727360976	ABWFBHUWMXIYRU-UHFFFAOYSA-N	408.886	3.591	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nc(-c2ccncc2)no1	728132351	OCTNZWWQOQPCTQ-SFHVURJKSA-N	412.469	3.533	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1	728984122	LIECKAFXIYMAAN-ZDUSSCGKSA-N	423.435	3.908	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1O	729551629	JFEUMRXDINTEFJ-HOTGVXAUSA-N	411.502	3.841	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC4(CCCCC4)C3)cc2)C1	732450628	QOEIUFNWNDGQDH-FQEVSTJZSA-N	412.578	3.644	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCCNC(=O)c2cccc(F)c2)cc1	732469927	OFXCCWNEHIDIJL-UHFFFAOYSA-N	414.525	3.633	10	20	HHCD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C1/SC(N2CCOCC2)=NC1=O	740764809	GSOQNVBOKQSJOR-WOJGMQOQSA-N	416.934	3.504	10	20	HHCD	
CO[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	743564395	KNKXPCAADUTADL-IERDGZPVSA-N	417.937	3.925	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCCc1ccccc1	743872610	ZKUYDWSHUQFFEC-HNNXBMFYSA-N	405.336	3.724	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C(=O)N1c1ccccc1	745882077	MMMBOQUMXJFGGL-LAUBAEHRSA-N	419.481	3.891	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2CCCOCC2)sc(C)c1-c1ccccc1	746386748	YYCWIEQTKIVFLZ-UHFFFAOYSA-N	416.543	3.951	10	20	HHCD	
COCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CCCC1	749554503	RHFWHRLMYFBXIH-CALCHBBNSA-N	407.530	3.540	10	20	HHCD	
Cc1cc(C(=O)NCC2(CS(C)(=O)=O)CC2)c(C)n1-c1cccc(C(C)C)c1	752729109	NTMXEMZCRFGRLM-UHFFFAOYSA-N	402.560	3.772	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@@H](c2ccco2)C1	753941879	ZKWKPVHJHAHJAF-DNVCBOLYSA-N	421.444	3.633	10	20	HHCD	
CCN(CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1)CCC(F)(F)F	755693517	RDNBEWAJKZPHMM-UHFFFAOYSA-N	414.516	3.996	10	20	HHCD	
Cc1cc(N2CCCC2)ccc1NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	756335159	FBSJEFOHFNDZQH-JOCHJYFZSA-N	423.557	3.921	10	20	HHCD	
C[C@H](NCc1ccccc1Cn1cncn1)c1cc(Br)c(F)cc1O	756393655	PBOPXOPNHPKABZ-LBPRGKRZSA-N	405.271	3.784	10	20	HHCD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	759788207	ZJCTZKPWHOEFLL-UHFFFAOYSA-N	400.544	3.523	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Oc2cccnc2)nc1	760815270	KOBSHUCYXZZMOB-UHFFFAOYSA-N	419.485	3.769	10	20	HHCD	
O=S1(=O)CC[C@H](CCN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)C1	760858187	ZSOQYJKXNOSECN-FDIFFNORSA-N	413.539	3.802	10	20	HHCD	
CC[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CN(Cc2ccccc2)CCO1	760898353	KIBQDLCRLCMLIE-RPWUZVMVSA-N	424.589	3.574	10	20	HHCD	
C[C@H]1CN(c2ccc(CN3C(=O)[C@H](c4ccccc4)N(C)C3=O)cc2F)C[C@@H](C)O1	761094893	ZOYJMNPYYCOUJX-MRUHUIDDSA-N	411.477	3.575	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)c1	761967986	SBCDARDNBBQOIB-JTQLQIEISA-N	424.354	3.630	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(N3CCC(N(C)C)CC3)cn2)c(C)n1-c1ccccn1	763759698	CKSRNJAQLLICQV-UHFFFAOYSA-N	418.545	3.667	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1	765350505	MALJUPAKRMIJGH-XXBNENTESA-N	408.590	3.501	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	766067205	GOBYLBNGNRJEIC-NYHFZMIOSA-N	420.937	3.578	10	20	HHCD	
O=C(Nc1ccccc1O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	768211883	HACCONIXIPJPOK-UHFFFAOYSA-N	405.838	3.510	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1	768552996	OAQPGQVXSLZARO-SFHVURJKSA-N	412.603	3.584	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cccc1[N+](=O)[O-]	768917222	WMICHRAIIBTKEW-MRXNPFEDSA-N	403.866	3.657	10	20	HHCD	
COC(=O)CCc1csc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n1	769325406	FDWYJNKVJSCJLA-UHFFFAOYSA-N	413.499	3.917	10	20	HHCD	
CCOc1ccc(O)c(CN2CCN(Cc3csc([C@H](C)OCC)n3)CC2)c1	769503278	WKDMOCNCVFUPGS-INIZCTEOSA-N	405.564	3.663	10	20	HHCD	
O=C(Cc1ccn(-c2ccccc2)n1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771060103	UGVSAXVQAPOOIT-HXUWFJFHSA-N	424.932	3.555	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1Cl	771526121	ROOLGEGGRUTNTM-UHFFFAOYSA-N	405.882	3.588	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1C	772577044	YCTKFECVYULYJX-JOCHJYFZSA-N	406.530	3.722	10	20	HHCD	
C[C@@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccc(N(C)C)cc1	773012410	HNBPELDJMSYFRO-QGZVFWFLSA-N	411.571	3.958	10	20	HHCD	
C[C@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccc(N(C)C)cc1	773014902	MTMADLKIVXCHIZ-AWEZNQCLSA-N	415.950	3.956	10	20	HHCD	
O=S1(=O)CCCN1c1ccc(CNCc2cc(Cl)cc(Cl)c2O)cc1F	775358134	HGZDARWXXKOZSH-UHFFFAOYSA-N	419.305	3.668	10	20	HHCD	
Cc1ccc(-c2nnc(S)n2CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	775402884	FOIGAYPGTAYWHA-INIZCTEOSA-N	409.559	3.876	10	20	HHCD	
CC[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1O	775509749	VBJHAXWWUSTYII-GOSISDBHSA-N	408.589	3.912	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)c1	779244796	PUWCATCSJZDYDR-INIZCTEOSA-N	407.436	3.543	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21	779534198	MGVVYTYTKIURJQ-YYFQYTQESA-N	415.489	3.974	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(Cl)c(OC(F)F)c3)ccc21	780047078	KIWHGIKMMRRDEK-UHFFFAOYSA-N	423.847	3.579	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCN(CC(F)(F)F)CC1	780627928	JVZNPFMUARYOBR-UHFFFAOYSA-N	414.516	3.947	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3cnccc3c2=O)c(C)n1-c1ccc(F)c(Cl)c1	780811114	YBQIQGIVXWVSPA-UHFFFAOYSA-N	410.836	3.874	10	20	HHCD	
CCc1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cnn1CC(C)C	783316460	NAFITNLOEJREIK-UHFFFAOYSA-N	413.566	3.543	10	20	HHCD	
CCN1CCc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc21	784058974	FFLWBXDRBXRHSS-UHFFFAOYSA-N	406.530	3.956	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784110082	BCRLFJNRYFLLCR-UHFFFAOYSA-N	417.513	3.925	10	20	HHCD	
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	784274281	OGNVPEHYTUUULT-UHFFFAOYSA-N	406.596	3.821	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)ccc21	786621595	UNQGBTLIRVYKCB-BRSBDYLESA-N	415.367	3.756	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Br)cn1	792958248	VNOZWSAEAKHUHV-CQSZACIVSA-N	401.308	3.781	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(N3CCC(CO)CC3)cn2)c(C(F)(F)F)c1	793018555	DAVUDYXUDQHOAA-UHFFFAOYSA-N	408.468	3.987	10	20	HHCD	
CCCCOc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	793540926	LGRILUMZCUPOCN-LJQANCHMSA-N	416.587	3.951	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3C[C@H](c4ccccc4F)C3)CC2)cc1F	798092104	MEYBURFJJJOQGO-WKILWMFISA-N	401.457	3.751	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(OC)c(OCC(C)C)c2)SC1=S	799200729	IBBIGIKLNODDAC-GZTJUZNOSA-N	423.556	3.884	10	20	HHCD	
C[C@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	807691713	QJCHPXXPQOUMNT-SBUREZEXSA-N	405.542	3.683	10	20	HHCD	
CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	807700026	FAZOEYJDVQSTLX-ICSRJNTNSA-N	416.543	3.695	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SC[C@H](O)CN(C)C1CC1	811810963	AMRXNRRYTNULCZ-MRXNPFEDSA-N	410.381	3.880	10	20	HHCD	
CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	812009295	NLQUSMQHQYFVDG-SJLPKXTDSA-N	407.530	3.686	10	20	HHCD	
Cc1noc(C2CCC(NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)n1	813855386	NOEHFPWBVPCXNZ-QAQJPARQSA-N	402.514	3.947	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ncoc2C2CC2)NC(=O)OC(C)(C)C)cc1	815710734	UEVIJNCAPAKSOY-KRWDZBQOSA-N	414.506	3.614	10	20	HHCD	
CCN1CCN(C(=O)Cc2ccc(NCc3cc(Cl)c(F)cc3O)cc2)CC1	816527375	HUNNCGOOBTXZNW-UHFFFAOYSA-N	405.901	3.503	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	819427377	KLBCUXGQNFXFEW-UHFFFAOYSA-N	402.516	3.874	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1	916745141	XQVIGGLDSAPPCX-QHCPKHFHSA-N	421.585	3.973	10	20	HHCD	
COc1ccc(N2CCCN(Cn3nc(-c4ccoc4C)n(C)c3=S)CC2)cc1	917485867	UFSSVOUQWAQBIO-UHFFFAOYSA-N	413.547	3.698	10	20	HHCD	
COC(=O)COc1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1	918486492	DAEPQQUWBJGVBP-UHFFFAOYSA-N	406.482	3.618	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc(F)cc2nccnc12	919897466	ZWVABMYYVWHJOO-UHFFFAOYSA-N	405.477	3.553	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Sc1ccccc1Cl	1254761028	JHTMIDFUUSJWPB-DOMZBBRYSA-N	423.918	3.522	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(Cc4ccccc4Cl)n3C)CC2)cc1	1338121727	AOUJYURHTWNGIP-UHFFFAOYSA-N	411.937	3.785	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3ccc(SC)cc3)CC2)cc1	7058697	NCTUZRAOTIGMEC-UHFFFAOYSA-N	402.585	3.999	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S	18150687	VIMIMFPMJOXYPH-UHFFFAOYSA-N	415.950	3.986	10	20	HHCD	
OC1CCN(c2ccc(CNc3ncnc4c3cnn4-c3ccccc3)cc2F)CC1	52457648	IELMXDJOHQQYBR-UHFFFAOYSA-N	418.476	3.528	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c(C)n1-c1ccc(F)cc1	110385219	JRDCKXPTWYRTFU-UHFFFAOYSA-N	417.444	3.770	10	20	HHCD	
CCc1ccc(N2C[C@@H](C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)CC2=O)cc1	252019005	XHGOVJKCDBBZFY-RBBKRZOGSA-N	422.525	3.515	10	20	HHCD	
C[C@@H](Nc1nn2cc(-c3cccnc3)nc2s1)c1ccc(N2CCOCC2)cc1	302062476	BXFBMLISOCSUPN-OAHLLOKOSA-N	406.515	3.863	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1F	727151777	MEBCHJDCFBYWED-LJQANCHMSA-N	401.482	3.774	10	20	HHCD	
COc1cccc(CNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1O	727762538	OTBJIELHRSYGMO-UHFFFAOYSA-N	418.493	3.723	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c1	729574148	MZKQIRRAMHHUSD-SNVBAGLBSA-N	417.359	3.958	10	20	HHCD	
CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(C)Cc1ccccc1O	730589364	DMNSYMQDZDCQMZ-HNNXBMFYSA-N	407.557	3.715	10	20	HHCD	
CCCNC(=O)c1ccc(NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nc1	732921348	UOEMJPQJLDRWNW-IYBDPMFKSA-N	400.498	3.586	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F	733855851	MRWSDIDZNCQTAY-UHFFFAOYSA-N	416.783	3.584	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1	734514626	NNFNKZDQDVIPKV-QGZVFWFLSA-N	406.452	3.850	10	20	HHCD	
O=C(NCCc1ccc(Br)s1)NCc1ccc(N2CC=CC2)cc1	740903534	KUURIDRLDAXZGG-UHFFFAOYSA-N	406.349	3.929	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)n2)s1	741136630	HMESNFQXQKHLOO-UHFFFAOYSA-N	421.525	3.937	10	20	HHCD	
Cc1cc(C(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1CC(F)(F)F	741732930	AZNSVTXSZUYTMS-UHFFFAOYSA-N	423.479	3.819	10	20	HHCD	
COC(=O)[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1F	743475754	XVLVGTVTOVATRP-IBGZPJMESA-N	408.420	3.900	10	20	HHCD	
COc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c2ccccc2n1	743554300	AKCHSFTWMTZJPG-UHFFFAOYSA-N	422.554	3.796	10	20	HHCD	
CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCc1ccc(N(C)C)cc1	743632239	ZWVYTGQULIUXQN-UHFFFAOYSA-N	406.530	3.977	10	20	HHCD	
CCN(CCC(=O)NC(=O)Nc1ccccc1)Cc1cc(Br)ccc1O	743870807	BPHWRCUKKGHBHD-UHFFFAOYSA-N	420.307	3.715	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C	743974977	JVWXZCXVSVATJJ-KRWDZBQOSA-N	417.456	3.629	10	20	HHCD	
Cc1nccn1-c1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1	745687845	NGWRTTTXJKNMOL-UHFFFAOYSA-N	406.534	3.762	10	20	HHCD	
CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	745837968	QCGSQXRQHGOAIO-IEBWSBKVSA-N	408.564	3.592	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccnn1C1CCCC1	746784307	XHSNAEXJVMHMHU-UHFFFAOYSA-N	409.534	3.586	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)cc1	749119221	UJMOJIJBRJGZEM-UHFFFAOYSA-N	404.470	3.966	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1C	752331886	CNUIHLRVEWMOJS-GOSISDBHSA-N	419.489	3.698	10	20	HHCD	
C[C@@H]1C[C@H](NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c2c(O)ccc(F)c21	756549489	FVISHFFNJBYVFB-BPAFIMBUSA-N	411.521	3.567	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(C)(C)c3ccc(OC)c(OC)c3)CC2)cc1	757622225	GUKLQLANAKCVJY-UHFFFAOYSA-N	412.530	3.729	10	20	HHCD	
CCCC1(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCC1	759161408	JOZLMIIKSMFGOF-UHFFFAOYSA-N	411.525	3.529	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H]3C[C@@H]3C3CCCCC3)CC2)cc(OC)c1OC	759272247	NXHDOPQCSUKXPK-MOPGFXCFSA-N	417.550	3.513	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)cc1	760190761	WKWYOSFOZTYHCI-UHFFFAOYSA-N	407.436	3.847	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](c1ccccc1)c1ccccn1	760942792	GQPDOWLRUQTVST-NRFANRHFSA-N	407.857	3.994	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc(CCCn4ccccc4=O)no3)ccc21	761887285	GVEKKWRVKGRBNK-UHFFFAOYSA-N	406.486	3.749	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cncc(Br)c2)SC1=S	767359437	OERZXFKKDDRFQL-AWNIVKPZSA-N	414.394	3.633	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)n2)cc1	768846992	AMDYLYSGOUZASM-UHFFFAOYSA-N	424.485	3.539	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1Oc2ccccc2O[C@H]1C	769289945	GQSWABQAOXONAQ-KPZWWZAWSA-N	406.276	3.732	10	20	HHCD	
Cc1ccncc1[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	771421076	KLUBWSWKENESKQ-ULQDDVLXSA-N	400.498	3.703	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C	772603119	OSNOVCWIRVQSRG-APWZRJJASA-N	416.566	3.656	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]3CC(=O)c3cnn(C)c3)c2C)cc1	772778711	RCNYQNZBRHDTSG-HXUWFJFHSA-N	420.513	3.714	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1O	775056020	TWRODNKGCUGYTC-INIZCTEOSA-N	412.364	3.901	10	20	HHCD	
CC[C@@H](NCc1cccc(NC(=O)COC)c1)c1cc(Br)ccc1O	775487692	NTNXLSNTCHZEKP-QGZVFWFLSA-N	407.308	3.981	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2)CC1	776329146	XBSGAVNOKYLJQR-UHFFFAOYSA-N	424.501	3.920	10	20	HHCD	
COC(=O)[C@H](NCc1cc(Br)ccc1O)c1ccc(OC)c(Cl)c1	779179686	GHUVJZCEPBQUEC-MRXNPFEDSA-N	414.683	3.821	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)C[C@@H](C)c3nccs3)cc2F)C[C@@H](C)O1	784223697	RLHOFGLRWXBOQJ-BZUAXINKSA-N	420.554	3.841	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3cc(C)nc4c([N+](=O)[O-])cccc34)cc2)CC1	786065362	AQDCHYHRPQFBIW-UHFFFAOYSA-N	419.485	3.732	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H](c3ccccc3)C(C)(C)C)CC2)cc1	788234257	LGKDIBKBUFLEAX-JOCHJYFZSA-N	423.557	3.684	10	20	HHCD	
C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1)c1ccc(N(C)C)cc1	789264989	DPRVVZUMVZZEDY-OAHLLOKOSA-N	407.522	3.909	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C(C)C)nc3)SC2=S)cn1	790107221	DKVPXEXSRRMBCZ-DHDCSXOGSA-N	400.529	3.736	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1Br	790289351	BQDDAPRMTOVRJB-LLVKDONJSA-N	418.244	3.525	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1F	790322593	WYNAZVQXZNYUIX-UHFFFAOYSA-N	418.488	3.959	10	20	HHCD	
Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c(O)ccc(Cl)c1F	793612146	GPSFVTZGFGROHI-OAHLLOKOSA-N	424.904	3.712	10	20	HHCD	
COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c(O)c1	794382744	GMJUIOWQSIHDCH-SFHVURJKSA-N	404.894	3.515	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@@H]2CCN3CCC[C@@H]3C2)NC(=O)OC(C)(C)C)cc1	798269926	FNXHSRGNWVRCIQ-NRSPTQNISA-N	402.583	3.535	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCc3cnn(C)c3C2)cc1	798962808	ZZRVFLMIPQLCST-LJQANCHMSA-N	418.541	3.833	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cc1OC	799184370	HJTNSXAZOJLXDY-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Oc2ccccc2)cn1	799650655	KBTQSNFOBMKYRB-UHFFFAOYSA-N	421.472	3.904	10	20	HHCD	
COCC[C@@]1(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCOC1	800720894	HWWLOIQCNGHKCX-IIBYNOLFSA-N	409.958	3.571	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1	801548693	MJMRMPBDGCXQBP-UHFFFAOYSA-N	422.522	3.661	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc1	803328606	ZBQXVYWKBSNGRP-UHFFFAOYSA-N	420.557	3.906	10	20	HHCD	
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	803653584	PZOLXYIGQCFPBL-XLIONFOSSA-N	405.498	3.639	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccccn1	804702262	WMQYZEAOCOMDKV-QFIPXVFZSA-N	408.546	3.592	10	20	HHCD	
COc1cccc(N2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)c1	805063177	FLCLYIYFTQHUPM-CQSZACIVSA-N	410.301	3.786	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccc(C[S@@](C)=O)cc3)cc2)CC1	805091967	SZYLVCPUMUATSX-GDLZYMKVSA-N	413.587	3.801	10	20	HHCD	
CC[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc(Cl)c1O	806131456	JNUMJSWDXYHXCC-FQEVSTJZSA-N	401.938	3.674	10	20	HHCD	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807291065	FHIFSBYWLCUJIC-UHFFFAOYSA-N	418.324	3.644	10	20	HHCD	
CN(C)c1ccc(CNCc2ccncc2OC[C@H]2CCOC2)c(C(F)(F)F)c1	808435906	CIOPJNPUIHSTAQ-HNNXBMFYSA-N	409.452	3.872	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)cc2)CC1	809751364	DKWVOPOYJKWGQQ-JOCHJYFZSA-N	422.621	3.984	10	20	HHCD	
COc1ccc([C@@H](O)C2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)cc1	813052114	ZKSXDDUXORBXLD-JOCHJYFZSA-N	415.509	3.556	10	20	HHCD	
CCCN(CCC)c1ccc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)cc1	915680275	FBANKQCTQOCXNZ-UHFFFAOYSA-N	403.592	3.853	10	20	HHCD	
CCC(C)(C)NC(=O)c1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	916695423	MRVZXNQEUFSNPZ-UHFFFAOYSA-N	424.545	3.968	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)COc3cccc4ccccc34)CC2)cc1	917016920	FYZPHSIKPNOXOW-JOCHJYFZSA-N	406.526	3.800	10	20	HHCD	
CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	917837209	VLQBQKQZJBXNHL-GHTZIAJQSA-N	423.557	3.595	10	20	HHCD	
COc1ccc(-n2ccc(CNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)cc1	919916081	ASBJHBYKIRGLGS-UHFFFAOYSA-N	419.529	3.821	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)nc1)c1ccc(N2CCOCC2)cc1	920872537	VOHNNSORLALYPY-CQSZACIVSA-N	424.423	3.742	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc(=O)n(C)c3ccccc23)cc1	1115987893	BGNHVHHLYMCLQU-UHFFFAOYSA-N	417.431	3.809	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3nc(C(C)(C)C)cs3)CC2)cc1	1318314354	BDNYMEHQGGJKLF-UHFFFAOYSA-N	416.591	3.960	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)C(F)F)CCC2)cc1)c1cc(O)c(O)c(Cl)c1	1790775764	NRNRJYYQACQWFI-UHFFFAOYSA-N	410.804	3.764	10	20	HHCD	
COCCOCc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	65463578	BOQFTXRXIQQNLP-SFHVURJKSA-N	413.518	3.569	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	303450982	CQMPUMDCUPWTNU-CYBMUJFWSA-N	410.848	3.539	10	20	HHCD	
COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	472811052	QZNFKHSSGKBESB-UHFFFAOYSA-N	421.497	3.652	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)ccc21	727601588	CTKWZBWZLNMLEF-OAQYLSRUSA-N	407.514	3.887	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCc2cn(-c3ccccc3)nc2C)c1	728948468	HRURPJDMSOBAHR-QGZVFWFLSA-N	408.502	3.888	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc(I)c(F)c2)cc1F	729179648	RRZBMDVKPQITJR-UHFFFAOYSA-N	416.209	3.565	10	20	HHCD	
Cc1nc(C)c(CCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	731044100	MUSHHRSEUNHOKC-ZIAGYGMSSA-N	420.554	3.555	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)s1	731059083	QWLJITYYXLQYIG-UHFFFAOYSA-N	405.526	3.866	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@H]3CCN(C4CCN(C)CC4)C3)c2C)c1	732565560	ZRSOLPUPXFIYAW-QHCPKHFHSA-N	408.590	3.643	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[C@@H]3C(=O)N3CCCC3)cc2)CC1	732767213	VYDKUWVKYYZFOO-PKTZIBPZSA-N	411.590	3.968	10	20	HHCD	
Cc1noc(COc2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2)n1	733906305	JEQVRIRGVMEQCT-UHFFFAOYSA-N	411.531	3.770	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc[nH]3)cc2F)C[C@@H](C)O1	734270174	QDBWULNZSJOLDL-WHSLLNHNSA-N	400.498	3.814	10	20	HHCD	
COC(=O)C[C@H](C)SCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	734366967	CXKKHCXLIDLVIB-AWEZNQCLSA-N	403.500	3.733	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F	734402556	LTRYPGZOPSTDKL-UHFFFAOYSA-N	421.398	3.730	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)cc1	739068507	MYGCWOPIXKAQLE-UHFFFAOYSA-N	411.449	3.504	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccnc(N3CCCC3)n2)cc1	739506730	DQXMKQHEKZIHLJ-UHFFFAOYSA-N	405.502	3.578	10	20	HHCD	
COCc1cccc(CNC(=O)CN(Cc2ccco2)c2ccc(OC)c(F)c2)c1	739926436	NNANPRNDPGQNIG-UHFFFAOYSA-N	412.461	3.897	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1	741175189	AVHVJQFUBOJHEV-HXUWFJFHSA-N	402.583	3.569	10	20	HHCD	
CN(CCCC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)OC(C)(C)C	742335949	CWJCYAWZEHOKPB-UHFFFAOYSA-N	407.580	3.503	10	20	HHCD	
COc1ccc(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743502949	MJGNEHKQGGKDLR-KRWDZBQOSA-N	419.472	3.807	10	20	HHCD	
COc1cccc(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743539107	YSZXNLWSUJCOSK-KRWDZBQOSA-N	419.472	3.807	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ccc(N4CCCC4)cc3)C2=O)cc1	743551929	JBEMNAIWERAUES-JOCHJYFZSA-N	406.530	3.590	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3Cc3ccccc3)cc2F)C[C@@H](C)O1	743555225	SQPPATIQMHYZHA-IMLKGASGSA-N	411.521	3.870	10	20	HHCD	
O=C(NC1CCN(C[C@@H]2CCCO2)CC1)N(Cc1ccccc1O)C1CCCCC1	745824443	IIUZKQQAOLAUFQ-QFIPXVFZSA-N	415.578	3.880	10	20	HHCD	
CC(C)CCn1nccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	746365519	LLVLZOJQIGFQKD-UHFFFAOYSA-N	411.550	3.517	10	20	HHCD	
CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1	749729813	ANTJTKZGGZYYME-UHFFFAOYSA-N	405.545	3.609	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1OCCc2ccccc21	749856518	SQOBENGTVPGVEA-JXFKEZNVSA-N	402.441	3.687	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O	750671974	WEPCXLJYWVVEMN-SFHVURJKSA-N	401.894	3.773	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OC(F)F	750900351	MWYHVOCMIUQEOK-WEVVVXLNSA-N	410.261	3.938	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3c(-c4ccccn4)noc3=O)c2C)cc1F	750950144	UGVGTTTXRFEVLR-UHFFFAOYSA-N	406.417	3.636	10	20	HHCD	
C[C@@H](CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1	751058581	HAAHKFGUBCQKKZ-AWEZNQCLSA-N	416.524	3.788	10	20	HHCD	
Cc1nc(CN2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)oc1C	753541127	HHBRUOFVFYNGOT-UHFFFAOYSA-N	407.514	3.894	10	20	HHCD	
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	758699039	CFBJFAUQMALHSS-CQSZACIVSA-N	419.447	3.769	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H]3C[C@H]3C3CCCCC3)CC2)cc(OC)c1OC	759272249	NXHDOPQCSUKXPK-OALUTQOASA-N	417.550	3.513	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(COc3ccc4ccccc4c3)no2)c1	761730965	ANUKQKACZRZJDP-UHFFFAOYSA-N	411.439	3.546	10	20	HHCD	
C[C@H]1CN(CCCN[C@H](C)c2cc(Br)cc(Cl)c2O)CCCO1	762650127	PIBMZENZBZEXHH-QWHCGFSZSA-N	405.764	3.960	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)nc1	766748524	KWDPUNHAFXMDLO-LCYFTJDESA-N	407.517	3.902	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1C	766892919	YBNRLSWSFWQUKW-UHFFFAOYSA-N	406.287	3.833	10	20	HHCD	
O=C(c1cc2occc2s1)N1CCN(Cc2cccc(Br)c2O)CC1	769473455	OJHKZCILIQLBFQ-UHFFFAOYSA-N	421.316	3.920	10	20	HHCD	
C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	769531601	JLSDGPOHUZDMCP-QGZVFWFLSA-N	404.555	3.732	10	20	HHCD	
CCOc1cc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2O)ccc1OC(F)F	774834157	CIFHNYVCWGXNHE-UHFFFAOYSA-N	412.389	3.941	10	20	HHCD	
C[C@H](NC(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(N(C)C)cc1	776244059	DUNAGUUJQZMRRV-SFHVURJKSA-N	408.546	3.760	10	20	HHCD	
CCN1CCN(c2ccc(N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)cc2)CC1	776807220	XEXHRJJWXVEHTG-IBGZPJMESA-N	412.553	3.977	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F	777829418	WRZLVTGBJUPGGG-GJZGRUSLSA-N	409.816	3.629	10	20	HHCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCO1	778750170	UWMKYGJCQIYFKA-KNQAVFIVSA-N	403.567	3.901	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC(n4ccc(C(F)(F)F)n4)CC3)ccc21	779342494	OMOLLZSPUYCPRC-UHFFFAOYSA-N	421.467	3.831	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)[C@@H]1CCN(Cc2ccccc2)C1	779364733	QJMDYIGDJUQWPL-FUHWJXTLSA-N	404.605	3.835	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1	780207565	GKQNTQKVVQJLQB-UHFFFAOYSA-N	407.420	3.956	10	20	HHCD	
COC(=O)C[C@@](C)(NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1cccc(OC)c1	781433054	FROMUMLZANDROH-XMMPIXPASA-N	421.497	3.706	10	20	HHCD	
C[C@@H](NCc1c(C(F)(F)F)nn(C)c1Cl)c1ccc(N2CCOCC2)cc1	782497085	NGEGCJWMOFUQLS-GFCCVEGCSA-N	402.848	3.780	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCN3c3ccccc3)cc2F)C[C@@H](C)O1	782677114	QYWXABHHVBSVPW-IXFSTUDKSA-N	411.521	3.725	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1	782789825	JSPRPZAMFABVQY-UHFFFAOYSA-N	417.575	3.782	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c3c2CCCC3)cc1	783577841	UNDVZISGVAGWGF-UHFFFAOYSA-N	406.438	3.510	10	20	HHCD	
O=C1C[C@@H]([C@@H]2CCCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CN1	785298695	LZWPSRFRTYTJCV-UZLBHIALSA-N	419.485	3.558	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4cc(F)ccc4s3)cc2)CC1	786255313	MWUFHLMOAUFDFC-UHFFFAOYSA-N	411.502	3.639	10	20	HHCD	
O=C(NCc1ccc(F)c(Cl)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	786956677	CIHKMKGYYJDBCW-UHFFFAOYSA-N	416.836	3.623	10	20	HHCD	
O=C(NCc1nc(CNCc2c(O)ccc(Cl)c2F)cs1)c1ccccc1	790975020	YWOMSQDUEIHLGS-UHFFFAOYSA-N	405.882	3.861	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c(O)c1	797618265	ILRYNCYLKMJHFN-UHFFFAOYSA-N	405.454	3.653	10	20	HHCD	
CCCOc1cc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)ccc1OC	799200875	NNPLTHPOZSCCQM-FOWTUZBSSA-N	409.529	3.638	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@](C)(O)c3ccco3)cc2Cl)C1	799994875	UKQALRSMQIAAHI-VFNWGFHPSA-N	405.926	3.876	10	20	HHCD	
FCCC[C@@H]1CCC[C@@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	800968745	UZCPIZNIRGRHOH-FPOVZHCZSA-N	415.532	3.950	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1	801644087	OTCGDXSLFDLXQH-UHFFFAOYSA-N	421.501	3.819	10	20	HHCD	
CC(C)c1nnc2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cn12	801743840	UEELJMZJMXSGCT-UHFFFAOYSA-N	410.547	3.728	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCCOc2ccccc21	804065813	XOURSAYNZMMSFK-OAQYLSRUSA-N	409.530	3.520	10	20	HHCD	
Cc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n[nH]1	804814971	LVTWWPJRKOFKMA-LLVKDONJSA-N	402.296	3.774	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H]3CCc4nc(Cl)ccc43)CC2)cc1	806127523	FUWWZICOYYWOPS-FQEVSTJZSA-N	400.954	3.533	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(N2CCCCC2=O)cc1	810126173	DFNWWHDPVBWTQU-IBGZPJMESA-N	422.573	3.579	10	20	HHCD	
Cc1cc(CN[C@@H](C)c2cc(Br)c(F)cc2O)nc(N2CCCC2)n1	813885360	NKRKUIUOENBODX-LBPRGKRZSA-N	409.303	3.843	10	20	HHCD	
COc1cc(O)c(CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1OC	814175005	OLALFAYQDOBYOJ-UHFFFAOYSA-N	420.509	3.747	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1	815073111	GGGOIFKDUIMYBG-UHFFFAOYSA-N	423.391	3.975	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2cc(Cl)c(F)cc2O)C(C)C)cc1	816504778	BJRAZGORJOKKEY-QGZVFWFLSA-N	424.900	3.793	10	20	HHCD	
COc1ccc(NCc2ccc3ccccc3c2O)cc1S(=O)(=O)N1CCCC1	816607039	CSZXJSMHQVCEQY-UHFFFAOYSA-N	412.511	3.951	10	20	HHCD	
C[C@@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1	822141392	CIBYFRYXJSRWMA-AWEZNQCLSA-N	414.417	3.904	10	20	HHCD	
CCOc1ccc(N2C[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CC2=O)cc1	914438507	BNWPPWKHFXOLCP-LJQANCHMSA-N	421.541	3.695	10	20	HHCD	
O=C(CCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc2c(c1)OCCO2	917361359	DUCZALODSKSRIA-UHFFFAOYSA-N	421.449	3.948	10	20	HHCD	
COC(=O)CN(Cc1c(O)ccc2cc(Br)ccc12)CC(F)(F)F	917462705	SPTVNWXRSHXOGY-UHFFFAOYSA-N	406.198	3.845	10	20	HHCD	
Cc1c(Cl)cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1[N+](=O)[O-]	917927680	BSGBWEZODMQHDH-UHFFFAOYSA-N	423.922	3.976	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cn3ccccc3n2)cc1	919654915	NUZMXMGAFZXEQM-UHFFFAOYSA-N	403.486	3.905	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[nH]c2c1C(=O)CC(C)(C)C2	919968349	GBUUXLMMOYFIOZ-UHFFFAOYSA-N	423.557	3.617	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@@H](CO)Cc2ccc(F)cc2)ccc1N1CCCCC1	920181773	FLLQLQUVSYMQKT-IBGZPJMESA-N	401.482	3.665	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)CC1	920473705	RVRLOGLNZJFISV-NTEUORMPSA-N	415.353	3.884	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(OC)ccc2Cl)cc1	920786584	CNISGAFTOLRFBL-UHFFFAOYSA-N	403.910	3.792	10	20	HHCD	
Cc1cc(CCNC(=O)CNC(=O)OCc2ccccc2)c(C)n1-c1ccccc1	921305714	ACXNBBQOCGOZOL-UHFFFAOYSA-N	405.498	3.679	10	20	HHCD	
CCOc1ccc(OC(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)cc1	1317807285	CZVYGMCSNSYWIP-UHFFFAOYSA-N	400.456	3.656	10	20	HHCD	
CCOc1ccc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3OC)CC2)cc1	1324469214	PSFRCCLDSAJPGM-MRXNPFEDSA-N	417.937	3.897	10	20	HHCD	
CC(=O)C[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1846328456	LPPXEVFHOQPLMC-KRWDZBQOSA-N	421.541	3.526	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)Sc2n[nH]c(N)n2)c(C)n1-c1ccc(OC(F)F)cc1	6235883	UTPTWQSQFKGGND-NSHDSACASA-N	407.446	3.759	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1C	58279246	IOPSPFADEQEOSQ-DEOSSOPVSA-N	416.481	3.709	10	20	HHCD	
O=S(=O)(NC1CCN(Cc2c(O)ccc3ccccc23)CC1)c1cccs1	27534860	KFMLATRYGNLMDE-UHFFFAOYSA-N	402.541	3.550	10	20	HHCD	
COc1ccc(N2CCN(CCCNc3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1	37162668	RDDAWJUWWDPBQR-UHFFFAOYSA-N	421.501	3.776	10	20	HHCD	
COc1cc(OC)cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)c1	445445470	LMAFRIYRKXAZGC-UHFFFAOYSA-N	407.451	3.637	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C	808966933	ONXIACJYPCVTID-JOCHJYFZSA-N	413.537	3.624	10	20	HHCD	
Cc1c(CNC(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)n(C)c2ccccc12	472226356	WVCRCSSLJOOXEQ-HXUWFJFHSA-N	422.573	3.811	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)C2CC2)cc1	809193532	PVDMNZKZMWHINW-VXKWHMMOSA-N	419.569	3.771	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C)cc(I)c2)c1	806683064	XMZYZIBDWRCJOX-UHFFFAOYSA-N	412.227	3.636	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1	802102159	FOTJDUTXDCRIFM-QHCPKHFHSA-N	424.589	3.693	10	20	HHCD	
Cc1cc(C)cc(CN(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	805023704	KLIUXGIDMPRVOO-UHFFFAOYSA-N	407.558	3.815	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(C[S@](C)=O)cc3)c2C)cc1	804866483	PTEOHDLOUCCQLN-LJAQVGFWSA-N	410.539	3.911	10	20	HHCD	
COC(=O)c1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)c(Br)c1	814186274	XCXVEVIUIALPMR-MDWZMJQESA-N	412.330	3.989	10	20	HHCD	
CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cccc(C)c3)sc2C)s1	727249293	SPVIXPHNGSGFPT-UHFFFAOYSA-N	421.569	3.925	10	20	HHCD	
CC1CCN(CCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	726702979	RZGOLGVSEKHEQZ-UHFFFAOYSA-N	424.536	3.678	10	20	HHCD	
CCOc1ccc(NC(=O)CN(c2ccc(OC)c(F)c2)C(C)C)c([N+](=O)[O-])c1	725815503	IJANOIFYXCUOLM-UHFFFAOYSA-N	405.426	3.995	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(Nc4ncccn4)c3)CC2)cc1	726564003	XDZUAVKJNFCKFW-UHFFFAOYSA-N	403.486	3.628	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCCn3c(=O)oc4ccccc43)ccc21	728640544	XRRPOVNRKDMKHK-UHFFFAOYSA-N	408.454	3.669	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(C(=O)Cc4ccc(C)cc4)CC3)c2c1	725784870	PVVSMHULQCLQKK-UHFFFAOYSA-N	404.510	3.749	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1	728941159	PMPXVSKJBNOTOY-INIZCTEOSA-N	411.502	3.587	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C)c(OC(F)F)c1	734220424	HCNZAHIDZYCBKX-UHFFFAOYSA-N	405.445	3.650	10	20	HHCD	
CCOc1ccc(CNCCC(=O)N(C)Cc2ccccc2Br)c(O)c1	732229888	NIQSHSHFODSGGZ-UHFFFAOYSA-N	421.335	3.692	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)Cc3cccc(F)c3)cc2F)CC1	730194303	HEBAQRISZCVGDH-QGZVFWFLSA-N	401.501	3.602	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1F	731404174	IHVARPIIEMLGEL-UHFFFAOYSA-N	422.526	3.674	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(Oc4cnccn4)c3)CC2)cc1	736475686	KUVCOCDYNRNOEZ-UHFFFAOYSA-N	404.470	3.630	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)no1	916686338	YQFOXPYMGNMRHP-UHFFFAOYSA-N	407.474	3.546	10	20	HHCD	
COC(=O)[C@@H](C)CN(C)C(=O)c1cc(C)n(-c2ccccc2Br)c1C	733170473	NJQWGUSAHCPCQU-LBPRGKRZSA-N	407.308	3.738	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cnccc3N3CCN(C)CC3)c2C)c1	919861383	UJYHXGWALPNWKG-UHFFFAOYSA-N	403.530	3.802	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1C	743151379	NFKDEBWWROQUBN-UHFFFAOYSA-N	417.531	3.663	10	20	HHCD	
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	740456777	CKMOZQPTROVLNL-RTWAWAEBSA-N	412.486	3.773	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nccs3)c2)cc1	918434661	SPYDZCPNDCPPEH-UHFFFAOYSA-N	408.527	3.911	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCc3nc([C@H](C)OCC(C)C)no3)sc2n1	744575855	DRTPTNPARZDVQL-LBPRGKRZSA-N	404.492	3.969	10	20	HHCD	
CN(Cc1ccccc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918219058	CQBHWZWVLXSSAA-UHFFFAOYSA-N	405.901	3.782	10	20	HHCD	
Cn1ncc2c(O)nc(CSc3ncc(-c4ccccc4)n3CC(F)(F)F)nc21	748040141	KDNOTPJFSDLFBE-UHFFFAOYSA-N	420.420	3.787	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)c2C)cc1	918697620	WEUCPQLKLCBIIS-MRXNPFEDSA-N	409.452	3.717	10	20	HHCD	
CC[C@@](C)(NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)C(=O)OC	748785782	FPOPVKLTLGOWOW-LJQANCHMSA-N	407.308	3.928	10	20	HHCD	
COc1cc(I)c(Cl)cc1C(=O)NCc1ccccc1O	748347172	XXHBHWBICQOQDC-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)Oc1cccc(F)c1	743554489	GHKLJCSSGGZQGO-MRXNPFEDSA-N	403.523	3.646	10	20	HHCD	
Cc1nc(-c2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2)cs1	915779092	UKVSDATXQKOBMV-UHFFFAOYSA-N	420.538	3.974	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCc3c[nH]nc3C2)c(C)n1-c1ccc2c(c1)CCC2	745622503	MOMYWOYHFPVAHM-LJQANCHMSA-N	417.509	3.837	10	20	HHCD	
C[C@H](CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)Cc1ccccc1	746774380	OBPXNXAELYDXJK-OAQYLSRUSA-N	424.589	3.575	10	20	HHCD	
CS(=O)(=O)Cc1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)cs1	744388075	ZTZGPDADLVXHNI-UHFFFAOYSA-N	406.451	3.539	10	20	HHCD	
COc1ccccc1O[C@@H](C)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	745901340	HBOJRYSBIPJWIK-PKOBYXMFSA-N	414.502	3.559	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cc(C(F)(F)F)ccc1F	749730746	CZNKWKSOIZMMDL-UHFFFAOYSA-N	407.414	3.538	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(N(C)C)c(F)c3)cc2F)C[C@H](C)O1	743830688	VBGCTAKGBANCNE-GJZGRUSLSA-N	403.473	3.574	10	20	HHCD	
NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	741447376	CFXFPXQOBWVJRD-QFIPXVFZSA-N	413.481	3.953	10	20	HHCD	
CCN(CC)c1ccc(CNC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1F	740014643	PMYGFJGAPVLXBD-LJQANCHMSA-N	408.901	3.920	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1ccccc1C(F)(F)F	746220176	DXUOKVUQHVIHLZ-UHFFFAOYSA-N	411.399	3.681	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)c1nccs1	756521755	VANIZOYIZLAAPV-NSHDSACASA-N	403.401	3.622	10	20	HHCD	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	753643266	GMRNUARWQPAYMF-LBPRGKRZSA-N	400.456	3.674	10	20	HHCD	
Cc1cc(Br)cn2cc(CCNCc3ccc(N(C)C)c(F)c3)nc12	757964800	NNWOFQWYKWOBKL-UHFFFAOYSA-N	405.315	3.943	10	20	HHCD	
CC(C)Oc1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	857473344	XFXMWZPSUJSGCR-KRWDZBQOSA-N	403.910	3.622	10	20	HHCD	
C[C@H](O)C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	759610583	MNUGWFVXUHMMHJ-NYVOZVTQSA-N	412.530	3.638	10	20	HHCD	
COc1cc(N2CCN(C(=O)CCc3ccc(Cl)s3)CC2)cc(OC)c1OC	759240534	UDAVAPHKBCMZIO-UHFFFAOYSA-N	424.950	3.709	10	20	HHCD	
CC(C)COC(=O)N1CCC(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	756898665	UROXWIDWCJVOGX-FQEVSTJZSA-N	423.985	3.857	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H](OC(C)(C)C)c1ccccc1	754310680	GUJMGLURHDUIJQ-QFIPXVFZSA-N	412.530	3.811	10	20	HHCD	
O=[N+]([O-])c1ccc(N2CCC(NCc3ccc(N4CCC(CO)CC4)cc3)CC2)cc1	765294666	AAQAYBWEAUBRFD-UHFFFAOYSA-N	424.545	3.562	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@H]3CCCc4ccc(Cl)cc43)cc2)CC1	762473300	CVLFMBMDNCBQIF-NRFANRHFSA-N	404.963	3.742	10	20	HHCD	
CC(C)(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)cc1F	769984560	VNMIOOOSYBTCBW-QGZVFWFLSA-N	412.458	3.559	10	20	HHCD	
CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c1	760310864	FWVRGOPBBPBSTM-UHFFFAOYSA-N	422.553	3.713	10	20	HHCD	
COc1ccccc1OCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768910867	AQFQWASZVADEIN-GOSISDBHSA-N	418.921	3.604	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1	765350484	MALJUPAKRMIJGH-CVDCTZTESA-N	408.590	3.501	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1	763020864	KUKNDDSOXFLXGV-JLTOFOAXSA-N	421.900	3.686	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1ccc(N2CCOCC2)cc1	775259329	HPMSYXDQBCWVNI-OAHLLOKOSA-N	407.967	3.547	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nn1[C@H](C)C1CC1	776833293	PYWZHHYZEWLFFU-YESZJQIVSA-N	414.525	3.845	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C2CC2)cc1	770630859	CIYXOFSNAUSUJO-MRXNPFEDSA-N	413.468	3.575	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3ccc(Cl)cc3Cl)nc12	773901254	NZIYNRPPNLRPCL-SNVBAGLBSA-N	409.273	3.769	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccc(CS(C)(=O)=O)cc2)c1O	779002883	IAPUSRPTHDCKQA-CYBMUJFWSA-N	412.349	3.859	10	20	HHCD	
C[C@@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cc(F)cc(F)c1O	774495257	YYPNLEQNTZMGOW-SECBINFHSA-N	409.376	3.944	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1C(=O)OC(C)(C)C	772339967	JGJLROGHEIYSCL-HKUYNNGSSA-N	416.566	3.874	10	20	HHCD	
Cc1[nH]ccc(=NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl	771767646	CRKSFRLDQOHGSV-ZDUSSCGKSA-N	410.852	3.857	10	20	HHCD	
COc1cc(OC)cc(N(C)C(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)c1	787385742	WCXZOTGBJVUNMM-WSDLNYQXSA-N	417.465	3.533	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)C1	789014929	UDMPDDJFRBFHIS-XHSDSOJGSA-N	419.477	3.512	10	20	HHCD	
C[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1c[nH]c2ccccc12	782724523	DMCGIOQQGWVSIF-PKOBYXMFSA-N	418.541	3.680	10	20	HHCD	
O=C(COC(=O)c1cc2c(F)cc(Br)cc2[nH]1)c1ccc(O)c(O)c1	782729795	VTTRKYSTAOBAQX-UHFFFAOYSA-N	408.179	3.520	10	20	HHCD	
COC1CCN(c2ccc(NC(=O)c3cccc(O)c3O)cc2C(F)(F)F)CC1	790641051	VEGGUDZSUYEXPB-UHFFFAOYSA-N	410.392	3.984	10	20	HHCD	
CN(C)c1ccc(CNc2cccc3c2CCN3S(C)(=O)=O)c(C(F)(F)F)c1	793075699	AZKNNHVJGLUQDF-UHFFFAOYSA-N	413.465	3.706	10	20	HHCD	
CCC(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c([N+](=O)[O-])c1	795071504	XGKHSGVSPNPXNL-UHFFFAOYSA-N	401.438	3.900	10	20	HHCD	
COc1cc(O)c(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1OC	793372679	YGZJEQSKVQTIMW-AWEZNQCLSA-N	405.800	3.905	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Br)cc1F	796696533	SCIBEIZCSVNBKB-AWEZNQCLSA-N	422.342	3.963	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H](c3ccc4c(c3)OCCO4)C3CC3)cc2F)CC1	1318629775	LEOOIKBQRWRJHK-XMMPIXPASA-N	411.521	3.590	10	20	HHCD	
COc1cc(CNC(=O)NCCCSc2nccs2)cc(Cl)c1OC	1346028767	PEJDKSJZLPLWCY-UHFFFAOYSA-N	401.941	3.795	10	20	HHCD	
CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1	1826242413	WHUMEFXWHUCXPV-KRWDZBQOSA-N	420.937	3.785	10	20	HHCD	
CCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)cc1OC	206455181	IVGRHCWDCGCLMM-FOWTUZBSSA-N	409.529	3.638	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	13351893	BAIWQOSBNRAJOY-YRNVUSSQSA-N	404.282	3.654	10	20	HHCD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	27157239	PVNSEUZTVHLJEY-IBGZPJMESA-N	409.530	3.950	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(=O)c2cccc(O)c2)cc1	444113038	MZGPVOVRUQJZRB-UHFFFAOYSA-N	402.450	3.728	10	20	HHCD	
COc1ccccc1-c1c[nH]cc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	726054412	XFHHIPCWENMFBA-UHFFFAOYSA-N	421.497	3.572	10	20	HHCD	
COc1ccc(OC)c(NC(=S)NCc2ccc(N3CCSCC3)cc2)c1	726467710	JOIAPDBHHKEEAE-UHFFFAOYSA-N	403.573	3.744	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(OC)cc3OC)CC2)cc1	726715273	MHOBRFMRIPAZNF-UHFFFAOYSA-N	413.518	3.523	10	20	HHCD	
Cc1noc2ncc(S(=O)(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cc12	726793891	SBONZPCSOGBWHL-UHFFFAOYSA-N	414.531	3.779	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CCCNS(=O)(=O)c1ccc(C)c(C)c1	727170284	LDDMWKDFRQGBER-UHFFFAOYSA-N	418.559	3.506	10	20	HHCD	
CCCN(CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)Cc1ccccc1O	727830667	GFZYQAMVYPBLRM-QGZVFWFLSA-N	400.519	3.807	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)CC3CCCCC3)ccc21	728770555	RPBBOVWKPQELNW-UHFFFAOYSA-N	406.548	3.544	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)N[C@H](C)c2cc(OC)ccc2O)N2CCCC2)c1	729044226	JQNNGAPZKYNEFY-IIBYNOLFSA-N	413.518	3.607	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(Cc3cccs3)C3CC3)cc2F)CC1	730132358	CFGBWCPGGCVPAH-UHFFFAOYSA-N	416.566	3.903	10	20	HHCD	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(N2CCSCC2)cc1	735464300	UXYPGVQHSHRJGH-UHFFFAOYSA-N	405.907	3.660	10	20	HHCD	
C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	735847363	KQAUNAXEWYHSMH-QFBILLFUSA-N	417.550	3.664	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c(C)n1-c1ccc(Cl)cc1	736232500	SFUZKOFUSDTFRK-GOSISDBHSA-N	415.965	3.978	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc2c(c1)CCCN2C	741081972	BJKMIXOMJUIDKL-HXUWFJFHSA-N	406.574	3.875	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C2CC2)cc1	742524831	TXIUYMBMVVGPMO-UHFFFAOYSA-N	414.575	3.927	10	20	HHCD	
Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C(C)C)n1	742800404	JRLQBIODJTXERU-OAHLLOKOSA-N	404.461	3.909	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3cc4cc(F)ccc4s3)CC2)cc1	742927311	NNCLCVZKCFCVQL-UHFFFAOYSA-N	413.518	3.601	10	20	HHCD	
CO[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1	743553167	FYKBPXGQLZSRDS-FQEVSTJZSA-N	421.900	3.503	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)cc1	743634658	ZLXRPLYZWBQTAV-UHFFFAOYSA-N	416.831	3.698	10	20	HHCD	
CCCn1c(=O)n(CCC(=O)NCc2c(O)ccc3c2CCCC3)c2ccccc21	743719763	RBTIBHQQFQWEMC-UHFFFAOYSA-N	407.514	3.504	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCc1ccccc1C	743870811	BWBWSKGUCQRCCR-OAHLLOKOSA-N	405.336	3.990	10	20	HHCD	
COc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc2n1	745877918	HWADHNZTRFMJDO-IBGZPJMESA-N	421.497	3.840	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	746031334	NSJUPHWPYQVBCL-MRXNPFEDSA-N	423.311	3.584	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C	751386561	IYDUOTDEXFHZJT-MHECFPHRSA-N	419.569	3.685	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CCOCC1)c1cc(Br)cc(F)c1O	756362625	KRNUUPSKNGFAFL-CQSZACIVSA-N	423.326	3.977	10	20	HHCD	
CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2cc3c(cc2O)CCCC3)CC1	756514630	IOVUOFKPHOBUHJ-SFHVURJKSA-N	407.558	3.790	10	20	HHCD	
CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1ccc2c(c1)OCO2	756654689	XOCZVMUTPJYUTB-MRXNPFEDSA-N	409.467	3.884	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)cc1F	757852696	QJVBRVMYFYDDLL-IYBDPMFKSA-N	401.482	3.523	10	20	HHCD	
CCc1ccc(-c2csc(NC(=O)COC(=O)/C=C/c3ccc(O)c(O)c3)n2)cc1	759595355	QPIILWOWHHRYMN-UXBLZVDNSA-N	424.478	3.979	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccccc3O[C@H]3CCOC3)CC2)cc1	760063699	VEQLHLUNSFZCMR-FQEVSTJZSA-N	411.502	3.607	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc(C3CCC3)cc2=O)c(C)n1-c1ccc2c(c1)OCCO2	760330481	SGDADLQPJDQFDC-UHFFFAOYSA-N	419.481	3.572	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](OCc4ccccn4)C3)c2C)cc1	761751770	BJSTVFHUIXFCNB-JOCHJYFZSA-N	405.498	3.929	10	20	HHCD	
O=C(CCc1nc(C2CCCC2)no1)NCc1ccc(N2CCSCC2)cc1	761974038	RYTAWMUDMKTLSL-UHFFFAOYSA-N	400.548	3.529	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	762344106	FNBPXBAPNPWASQ-PKOBYXMFSA-N	418.852	3.869	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(OC(F)F)c1	765252098	HVVFXLKXPHLUTH-CRAIPNDOSA-N	403.473	3.841	10	20	HHCD	
O=C(CCCc1nc(-c2cccs2)no1)NCc1cccc(Br)c1O	765728503	UKUJIHBCRMFRCM-UHFFFAOYSA-N	422.304	3.905	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(Br)nc1)c1ccc(N2CCOCC2)cc1	766163472	UKIAOIUHNMGNRC-ZDUSSCGKSA-N	405.296	3.563	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)cc([N+](=O)[O-])c1	770145568	KIUDBQHEBJQXFE-UHFFFAOYSA-N	404.264	3.888	10	20	HHCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21	770390403	YOHSTVNINKOLKY-AWEZNQCLSA-N	417.270	3.568	10	20	HHCD	
CCc1noc2ncc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc12	771064876	LJLHRSYFSQKNBM-MRXNPFEDSA-N	414.893	3.539	10	20	HHCD	
CC[C@@H](C)c1ccc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	772874980	IOEMSUMTHOSSSV-QGZVFWFLSA-N	400.494	3.871	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C(=O)OC)cc1F	773337887	NGYFTUGPACECEK-UHFFFAOYSA-N	410.239	3.743	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccccc1	774316088	IRZLTMHDTXURAO-GOSISDBHSA-N	405.498	3.752	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cccc(CCCc2ccccc2)c1	774361999	KGWRBHQOALOYHL-UHFFFAOYSA-N	418.493	3.571	10	20	HHCD	
COCCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)cc1	774382045	PEZLIDRMDBYXKX-GFCCVEGCSA-N	418.342	3.970	10	20	HHCD	
Cc1cc(Br)cc(CN2CCCN(C(=O)c3ccsc3)CC2)c1O	775658491	OQILNHPHPLGRJM-UHFFFAOYSA-N	409.349	3.873	10	20	HHCD	
CC(=O)c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)nc1C	777173070	VKXJKAXYQFLJGL-SFHVURJKSA-N	415.921	3.654	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H](c4ccc(F)cc4)CC3)nc12	778244417	PSXFSEDSMPSUAF-HNNXBMFYSA-N	412.465	3.520	10	20	HHCD	
C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cc(Cl)cc(F)c1O	779191283	OVJLLHSWMJFSCB-CYBMUJFWSA-N	412.914	3.918	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1	779480167	RMNIWSPMDNQPDU-FNORWQNLSA-N	421.415	3.994	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)OCc3ccccc3)cc2F)C[C@@H](C)O1	779629186	OZPORFQDPAAXFM-CALCHBBNSA-N	401.482	3.713	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1O	780575867	GGSBVRQWYFNJDX-XHDPSFHLSA-N	412.246	3.737	10	20	HHCD	
CSc1ccccc1S(=O)(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1	780715208	ICVVORJIKTUXCX-UHFFFAOYSA-N	417.600	3.741	10	20	HHCD	
COc1cc(CN(C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OCC(F)(F)F	780778721	PZZJXBGUFQCYSB-UHFFFAOYSA-N	414.336	3.910	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CC(=O)NCC(F)(F)F)c2C)cc1C	781008452	PZDLALRKIXNEMN-UHFFFAOYSA-N	424.419	3.505	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1	784025672	GASNRBOIPZBRGZ-UHFFFAOYSA-N	424.526	3.654	10	20	HHCD	
CCCC1CCC(N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1	790235795	BDSCYHFDAOVJDX-VEDCXYSMSA-N	414.594	3.889	10	20	HHCD	
O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1	792162611	OEQKOGPMIFZXPD-UHFFFAOYSA-N	401.869	3.553	10	20	HHCD	
CCc1ncnc(NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1F	795228014	XQALXPOZYKZURQ-QGZVFWFLSA-N	403.502	3.922	10	20	HHCD	
O=C(NCC(F)(F)F)c1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)cc1	796368719	WJYAXDQPIBABPI-UHFFFAOYSA-N	403.744	3.858	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2F)C[C@@H](C)O1	798212772	VXOUQTBLIVTVJF-IDENBPMYSA-N	400.469	3.998	10	20	HHCD	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	803659637	VHAMZEXFODPODC-FPOVZHCZSA-N	411.521	3.611	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)C[C@@H](C)c3ccccc3)cc2)CC1	805020792	ZAYGPJNYGOHYAN-HXUWFJFHSA-N	407.558	3.801	10	20	HHCD	
COc1ccccc1O[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	809711518	YITDZEUMPKXDFE-IBGZPJMESA-N	400.494	3.714	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnc(C(F)(F)F)cc1C	810411592	UBHVOSWKNYUFHI-UHFFFAOYSA-N	409.408	3.882	10	20	HHCD	
COCCOCCN(C)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	811552356	RCYSDMWIWURUMJ-UHFFFAOYSA-N	409.324	3.592	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1	819761605	WLGWKBCSRWGATM-OAHLLOKOSA-N	420.481	3.577	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccn1	914613749	JXUOCYCIUVTOHJ-HNNXBMFYSA-N	408.414	3.581	10	20	HHCD	
Cc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1	915290267	AFZBKDJVUHESNB-UHFFFAOYSA-N	406.460	3.830	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1	916242580	SUOQAPTYUCUNGA-UHFFFAOYSA-N	412.534	3.572	10	20	HHCD	
COc1ccc([C@H](NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)C2CC2)cc1	917074628	DIPKZTGZDOJDQZ-RUZDIDTESA-N	407.558	3.993	10	20	HHCD	
CC[C@H](C)[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	917832187	MXOWOLHUBHGTGY-HARLFGEKSA-N	407.558	3.834	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCSc2c(F)cccc21	918209782	IFXQJKYNOSSRAT-SFHVURJKSA-N	419.497	3.838	10	20	HHCD	
Cn1cnnc1C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	918433248	AWILCTSYJJZRSX-UHFFFAOYSA-N	417.473	3.575	10	20	HHCD	
COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	919077831	YRUFCZLINNZYJS-KRWDZBQOSA-N	421.497	3.874	10	20	HHCD	
C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	920890187	MKORMDMQENVIJY-OFNKIYASSA-N	407.558	3.613	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(Br)c3O)CC2)cc1	1116447261	BNVDNUOJLUSHOD-UHFFFAOYSA-N	405.292	3.516	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1	1318465440	OXDALCATZQKTGB-MRXNPFEDSA-N	413.827	3.641	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2ccc(C(F)(F)F)cc2[nH]1	1319728669	BPKLQVFHNUCXOG-UHFFFAOYSA-N	403.404	3.953	10	20	HHCD	
C/C=C(/C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1	1781754535	ZSHMJNXDQBBGMR-SRVWLLSISA-N	421.541	3.504	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cccc2nsnc12	19096735	HMRUQGIQSONDMA-UHFFFAOYSA-N	402.545	3.502	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(N)n3C3CC3)c2C)cc1	31454520	VBKIVJQVSGVZBS-UHFFFAOYSA-N	411.531	3.976	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(NC3CCCCC3)cc2)c1	116615157	RDXPYBXMPKAKJG-UHFFFAOYSA-N	403.504	3.761	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1ccc(N2CCOCC2)cc1	148477225	BOEXOZRVDAXLQL-QGZVFWFLSA-N	403.486	3.548	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCC(=O)c3ccc(C)cc3)cc2F)CC1	303281421	ISPPRNNQLTTWIY-UHFFFAOYSA-N	411.521	3.555	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)COc1ccc(C(=O)c2ccccc2)cc1	437011074	TTZQEIGRBNIOEN-UHFFFAOYSA-N	416.477	3.788	10	20	HHCD	
C[C@H](Cc1ccc(O)cc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726707958	IECWGUAQWVRSJX-OAHLLOKOSA-N	419.472	3.893	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)cc1	727600999	KYVZZRBDUJEGOY-UHFFFAOYSA-N	422.573	3.979	10	20	HHCD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	727730131	VXZKRAHWISNDEF-QHCPKHFHSA-N	419.566	3.817	10	20	HHCD	
CCCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	727834452	UACGBFFIUKSNBS-UHFFFAOYSA-N	416.543	3.673	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NC2CCOCC2)cc1	728085062	ACFDYSYYKJXLAW-UHFFFAOYSA-N	410.474	3.620	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)NCC(C)C)CC3)ccc21	728514486	CFJSHSTYUIIDSG-UHFFFAOYSA-N	413.562	3.529	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(-c3ccncc3)ccc2C)c1	729061966	MRYABAXKTLQCLY-HNNXBMFYSA-N	405.454	3.587	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)c1	729064114	PKCAPOFMGPAKSD-LBPRGKRZSA-N	418.540	3.695	10	20	HHCD	
CC[C@H](CC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(C)C	729759445	DEVQOTKIWSDTGX-ZIFCJYIRSA-N	422.541	3.671	10	20	HHCD	
COC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	730388915	BOOJXCLOFMRQBL-UHFFFAOYSA-N	408.458	3.889	10	20	HHCD	
Cc1ccc(NC(=O)CN(C)C(=O)CN(Cc2ccccc2O)C2CCCC2)cc1	731847000	ALHWANMNEUJZTJ-UHFFFAOYSA-N	409.530	3.542	10	20	HHCD	
COc1cc([C@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)cc(OC)c1OC	740908199	TUFUKPVXMNHGMH-INIZCTEOSA-N	411.502	3.649	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1F	740919567	AYQRYFGKHXIEBP-OAQYLSRUSA-N	405.477	3.524	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2cnn(C)c2)c(C)n1-c1ccccc1Br	741317525	FXOBYINJWUIAMW-UHFFFAOYSA-N	416.275	3.630	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)cc2F)C[C@@H](C)O1	742769277	BULYHVYFGKZCDV-CMCRGWCASA-N	415.484	3.934	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c[nH]c2ccccc2c1=O	743809389	RWDHYLYYWQVHGQ-UHFFFAOYSA-N	401.260	3.659	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(OC)c2c(c1)OCCO2	743809540	YZJZDJUCFOWTNG-UHFFFAOYSA-N	422.275	3.597	10	20	HHCD	
CCC(CC)(CNC(=O)NCc1ccc(N(C)C)c(F)c1)NC(=O)OC(C)(C)C	745788901	VQAXKTWWRYAVMF-UHFFFAOYSA-N	410.534	3.774	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1	745851721	HWYIXMZPLALIAG-QFIPXVFZSA-N	408.546	3.788	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@@H](c3ccccc3)[C@@H]2C)c1	751599650	CEJXAKZXRSQWJY-MHECFPHRSA-N	408.542	3.805	10	20	HHCD	
CCN(Cc1ccccn1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	752361914	GZGAUZVTEVCPKS-IRXDYDNUSA-N	400.498	3.566	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3nc(-c4ccsc4)oc3C)CC2)cc1F	753739317	XEVPLYJUZRVZIO-UHFFFAOYSA-N	415.490	3.751	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)cc1F	753740625	VIMULLUSWOJDBK-UHFFFAOYSA-N	404.869	3.799	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c(C)n1-c1cccc(Br)c1	753761948	RPOFQAFYVMUIGY-RKNYENMMSA-N	411.365	3.696	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3OC)OCO4)SC2=S)cc1F	758818239	BUNDTJSBIZTPNK-FMQZQXMHSA-N	419.455	3.977	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1nc(-c2ccccc2)no1	760306437	LAYXDRQYWPXXMQ-QGZVFWFLSA-N	405.502	3.940	10	20	HHCD	
C[C@H](COc1ccc(F)cc1F)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761125169	USZMOMUOKVCWDG-LLVKDONJSA-N	410.804	3.556	10	20	HHCD	
CC(C)(C)C(=O)NCc1ccc(C(=O)NCc2cccc(Br)c2O)cc1	765730335	AAWSZMWOUCGZKP-UHFFFAOYSA-N	419.319	3.747	10	20	HHCD	
O=S(=O)(/C=C\c1cccc(Cl)c1)NCc1cccc(Br)c1O	766177760	AOCRVMNUSSRVIX-FPLPWBNLSA-N	402.697	3.898	10	20	HHCD	
CCC1(CC)CN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)CCS1	767476547	OLCAIOALPOOFCK-UHFFFAOYSA-N	406.592	3.535	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)c2)CC1	767930192	BPJSUCPZPJPPAK-UHFFFAOYSA-N	406.530	3.699	10	20	HHCD	
CN(C)c1ccc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1	768793111	SDZVYTFAYHHBMU-UHFFFAOYSA-N	417.351	3.761	10	20	HHCD	
COc1ccc(N2CCCN(Cc3cnc4ccc(Br)cn34)CC2)cc1	768997753	HGFAEASPRZSTGK-UHFFFAOYSA-N	415.335	3.818	10	20	HHCD	
O=C(COC(=O)[C@H](F)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	769164605	GNFBRYDOXZUWMJ-OAQYLSRUSA-N	417.392	3.655	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769422463	JMPZLEWEKRSXAO-MJGOQNOKSA-N	421.557	3.788	10	20	HHCD	
COc1cc(Br)cc(CNc2cc(C(=O)NC3CC3)ccc2C)c1O	770422465	RGHQLXHNCIMTSI-UHFFFAOYSA-N	405.292	3.976	10	20	HHCD	
O=C(c1cnc(Oc2ccccc2)cn1)N(Cc1ccccc1O)C[C@H]1CCCO1	773497451	QDGNTDDXCUIIIQ-LJQANCHMSA-N	405.454	3.796	10	20	HHCD	
C[C@@H](NC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1)c1ccc(N(C)C)cc1	773989183	OHORAGYKAUIZMW-NVXWUHKLSA-N	409.559	3.851	10	20	HHCD	
O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	774504598	IGXAUZUCPIZRQB-IBGZPJMESA-N	408.458	3.842	10	20	HHCD	
Cc1sc2ncc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c(=O)n2c1C	775646016	FGAJYKVEVFOXPA-UHFFFAOYSA-N	410.543	3.635	10	20	HHCD	
Cc1cnc(Br)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	776046814	YRZYWFSRVBRHDR-UHFFFAOYSA-N	419.323	3.653	10	20	HHCD	
C[C@@H]1[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C	778201998	BHJCFCHBJDSPHR-APWZRJJASA-N	407.530	3.540	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](O)[C@@H](C)C2)c(C)n1-c1cccc(Br)c1	778255323	OTLIKSBEMGSPSY-DJJJIMSYSA-N	405.336	3.742	10	20	HHCD	
Cc1cc(F)c2nc(O)cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2c1	778648496	BUYXEUZIXJVPKC-HNNXBMFYSA-N	409.461	3.716	10	20	HHCD	
C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1	782896417	NAUOIOMETDVONJ-INIZCTEOSA-N	410.518	3.860	10	20	HHCD	
Cc1ccc(O[C@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	788415323	ZXKFNFJSDOJBQE-HXUWFJFHSA-N	423.557	3.527	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(-c3ccco3)cc2F)cc1	788968028	SDTCJZFREUVBBW-UHFFFAOYSA-N	423.488	3.865	10	20	HHCD	
CCOc1ccc(CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c(O)c1	793301801	DSWVJDLFFTXPSO-UHFFFAOYSA-N	406.482	3.609	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c(Br)c1	795604558	CQEADIKSUXMCBZ-UHFFFAOYSA-N	415.290	3.975	10	20	HHCD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cc(Cl)ccc1O	796392957	WPNBFNOIYFEJEX-UHFFFAOYSA-N	410.923	3.841	10	20	HHCD	
CCOc1ccc(NCc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCC1	796397416	PDVVHUZCEOWKJN-UHFFFAOYSA-N	403.548	3.548	10	20	HHCD	
CC[C@H](NCC(=O)NCCc1ccccc1OC)c1cc(Br)ccc1O	798002093	XCKQRDNNWYEJGS-KRWDZBQOSA-N	421.335	3.563	10	20	HHCD	
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1cccc(Br)c1O	798501285	IHCUKOSJVNREJA-QGZVFWFLSA-N	405.292	3.685	10	20	HHCD	
C[C@H](CCNS(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1	801735464	VKCQJGYXOJBQIA-LJQANCHMSA-N	401.576	3.524	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(C(C)C)n3Cc3cccs3)CC2)cc1F	802702346	ZDPZTBMTGIYEJE-UHFFFAOYSA-N	415.538	3.986	10	20	HHCD	
COc1ccc2oc([C@H](C)NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c(C)c2c1	804759204	TZAOISHEWRURSL-CVEARBPZSA-N	423.513	3.870	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1	806176433	LWLQQHPYDMKCLX-HRAATJIYSA-N	400.519	3.920	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C(N)=O	806504390	KHMIOFWMEOKCLD-UHFFFAOYSA-N	412.273	3.907	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1cccc(F)c1	807262658	SXKOKOOSNWWHLM-UHFFFAOYSA-N	400.494	3.754	10	20	HHCD	
Cc1ccc(C[C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1	807278618	WGXKQKVJGYQYQX-INIZCTEOSA-N	401.576	3.607	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(-n2cccc2)c1	807512668	CRIXKTJMYFROJQ-UHFFFAOYSA-N	404.253	3.745	10	20	HHCD	
COC(C)(C)C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	807605712	VVMIZVFDPRRKIS-HOTGVXAUSA-N	423.985	3.512	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1ccc(N(C)C)cc1	807674700	POIKBACIGZSTPS-ZDUSSCGKSA-N	408.329	3.895	10	20	HHCD	
CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1	808115649	MWUOJGXDBZYLOK-UHFFFAOYSA-N	423.691	3.814	10	20	HHCD	
COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	914903488	MHEDFQMGDAFIHI-AEFFLSMTSA-N	421.497	3.920	10	20	HHCD	
COc1ccccc1[C@H](C)NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	914907618	UEWUBVYISVLFBQ-INIZCTEOSA-N	407.470	3.532	10	20	HHCD	
Cc1cccc(N2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)c1C	916625038	BZVFUOFMWJDLAE-UHFFFAOYSA-N	424.614	3.888	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)Cc1cccs1	916986088	HOMWQNGVSPVHSC-IRXDYDNUSA-N	419.566	3.639	10	20	HHCD	
CN(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccc(N2CCCCC2)cc1	917019287	AHTOTUMLFOUDQS-QHCPKHFHSA-N	420.601	3.751	10	20	HHCD	
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2	918187696	KLOAJUBFCZVLDP-UHFFFAOYSA-N	405.432	3.757	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	918202378	MSPGDEGZXNWPFO-GUDVDZBRSA-N	403.542	3.945	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1	919652716	BMYWQGOBQRFLLM-UHFFFAOYSA-N	417.473	3.556	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)c2ccc(OC)c(OC)c2)sc(C)c1C	920418809	KOUJBVNIGQLMKL-UHFFFAOYSA-N	406.504	3.634	10	20	HHCD	
O=C(/C=C/c1ccoc1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788424302	UMAOJTRNFIONKR-FARCUNLSSA-N	419.437	3.547	10	20	HHCD	
C[C@]1(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)CC=CCC1	1791990493	IGPZVMIURMOHDO-QHCPKHFHSA-N	421.497	3.987	10	20	HHCD	
COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(OC)c1	7246380	UAHSMSJOEIUALU-QFIPXVFZSA-N	411.546	3.565	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccccc1N1CCCC1)c1ccc(N2CCOCC2)cc1	139967031	JBSVMHJHIGMMQV-LJQANCHMSA-N	408.546	3.684	10	20	HHCD	
Cc1ccc(CN2C[C@@H](C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2=O)cc1	302760192	HNPAZANYYAJHNR-QHCPKHFHSA-N	419.569	3.992	10	20	HHCD	
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccc(N)cc1	586740079	WMURKFRIPHBKHF-UHFFFAOYSA-N	405.454	3.720	10	20	HHCD	
CCCN(Cc1cc(=O)n2cc(Br)ccc2n1)Cc1ccccc1O	727831361	XNOAQCWJIKVMNV-UHFFFAOYSA-N	402.292	3.575	10	20	HHCD	
CN(c1ccc(CNS(=O)(=O)c2ccc3c(c2)COC3)cc1)C1CCCCC1	727834907	HSTYTEMMORMIKG-UHFFFAOYSA-N	400.544	3.964	10	20	HHCD	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	727847783	UHIGNDQKTBZMCP-VWPQPMDRSA-N	414.594	3.792	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3csc(NC(C)=O)n3)ccc21	728637084	HSIAIEDYFRPQKL-UHFFFAOYSA-N	401.488	3.676	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H](C)S(=O)(=O)c3ccc(F)cc3)cc2)CC1	731014899	BMADVIZBAPWBPQ-QGZVFWFLSA-N	418.534	3.541	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc3nnc(C)n3c2)cc1	732114370	FPCBKZLJKCUDEO-UHFFFAOYSA-N	415.497	3.959	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)cc1F	732463184	JMEUKSTVHJIDPY-OAHLLOKOSA-N	410.534	3.727	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)c1	734065022	RSJAZCFQHWVAMN-HDICACEKSA-N	411.546	3.878	10	20	HHCD	
CCN(Cc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1)C(C)C	739768079	KMMUBRFMBJTCIQ-UHFFFAOYSA-N	422.573	3.871	10	20	HHCD	
CC(=O)Nc1ccc(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742800702	LAARGCLLUDPDPC-SFHVURJKSA-N	417.456	3.574	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1	742953134	VXJFGPHSNUCCIK-UHFFFAOYSA-N	403.523	3.515	10	20	HHCD	
CC(C)CN1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	743546512	NAKLOIXVSLPDKB-GOSISDBHSA-N	424.536	3.676	10	20	HHCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1	743870470	SQIKGNAWKVSNIP-KRWDZBQOSA-N	400.519	3.669	10	20	HHCD	
CCOC[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745906080	VSZZYFSJWLUJNI-IRXDYDNUSA-N	411.493	3.715	10	20	HHCD	
CC(C)(C)CN(CCCO)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745906356	ZKGFZAIWFNXQBR-INIZCTEOSA-N	413.509	3.697	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H](C(=O)Nc1c(-c3ccccn3)nc3ccccn13)C2	751301394	AHZHMAXHHTZDGV-INIZCTEOSA-N	400.438	3.595	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC(OC[C@H]4CCCO4)CC3)cc2)CC1	751610157	UMCDZOXITBEZAS-HSZRJFAPSA-N	415.578	3.793	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)ccc1F	753978963	ZGYDTUSQWHEKJY-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
O[C@H](COC1CCOCC1)CSc1ncc(-c2ccccc2)n1Cc1ccco1	755737986	JPVSAOQWUZZEKZ-GOSISDBHSA-N	414.527	3.840	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@H]3CCCc4c(Cl)cccc43)cc2)CC1	756577059	XRHGDXJQROLKHM-NRFANRHFSA-N	404.963	3.742	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(N(C)CCCO)CC2)c(C)n1-c1ccc(Cl)cc1	759721642	AFMBFYAFWWXTKH-UHFFFAOYSA-N	417.981	3.595	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)c1	761982342	KFMKOGXVHULLEV-LBPRGKRZSA-N	410.392	3.546	10	20	HHCD	
O=C(NCc1ccc(Br)s1)NCc1cccc(Br)c1O	764759856	DNGKZAPYRXUHMM-UHFFFAOYSA-N	420.126	3.978	10	20	HHCD	
O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCCc1ccc(O)c(O)c1	767786060	RDDJDJHWJTVNCG-UHFFFAOYSA-N	421.478	3.752	10	20	HHCD	
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCS[C@H]2COCC[C@@H]21	769346515	UDEMMSOEESVAJF-HKUYNNGSSA-N	404.557	3.930	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)ccc1Cl	772776278	PIELABHPXPODMN-KXFIGUGUSA-N	415.751	3.965	10	20	HHCD	
CCc1ccc(-n2nc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c3c2CCC3)cc1	773764240	YMRQBMJOLBUERT-OAHLLOKOSA-N	405.498	3.696	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1O	775051800	QRSFZOUATMDBQM-GFCCVEGCSA-N	412.273	3.984	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1	775371337	LVPDHLQVNOXNHD-LBPRGKRZSA-N	401.463	3.953	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@H](c2nccn2C)C2CC2)NC(=O)OC(C)(C)C)cc1	776492027	HFJYCJVNIYBOBZ-PMACEKPBSA-N	413.566	3.793	10	20	HHCD	
CCn1c(/C(Cl)=C/c2ccc(F)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21	777468296	REPDFIOHWMMPAG-ZROIWOOFSA-N	408.886	3.578	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CSc1nnnn1C1CC1	777826343	KSNPPNPMZUGPBY-OAHLLOKOSA-N	409.515	3.596	10	20	HHCD	
Cc1cc(Br)cc(CN(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1O	779224904	JMBSXVSATHWOHU-NRFANRHFSA-N	419.363	3.532	10	20	HHCD	
Oc1c(Br)cccc1CN1CCOC[C@H]1c1noc(-c2ccccc2)n1	779616473	SIGYZCFFMOXAPE-INIZCTEOSA-N	416.275	3.778	10	20	HHCD	
COCCN(Cc1noc(-c2ccc(F)cc2F)n1)c1ccc(OC)c(OC)c1	781901698	ZJSLIMKJRMQYRC-UHFFFAOYSA-N	405.401	3.685	10	20	HHCD	
CNC(=O)Cn1ccc2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc21	782779431	ITZOEHUBDRXEBX-UHFFFAOYSA-N	421.545	3.896	10	20	HHCD	
Cc1ccnn1-c1ccccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784109135	QQJLOYQQJXGWKV-UHFFFAOYSA-N	417.513	3.925	10	20	HHCD	
COc1cccc([C@@H]2C[C@H](C)CN2C(=O)NCc2ccc(N3CCOCC3)cc2)c1	784240233	DBAHGJQQJRWHPE-MBSDFSHPSA-N	409.530	3.825	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)NC3CCC(c4ccccc4)CC3)ccc21	787321683	YVXOXMXSXYJBDA-UHFFFAOYSA-N	405.542	3.528	10	20	HHCD	
CC[S@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	787947330	DNFZHFZIMXWYAN-SANMLTNESA-N	416.326	3.895	10	20	HHCD	
CCOc1ccccc1[C@](N)(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F	788003260	ILQVWGAOPFJMHJ-XOBRGWDASA-N	409.452	3.745	10	20	HHCD	
Cc1cc(C)c([C@H](C)NCC(=O)Nc2ccc(I)cc2)c(O)c1	788819510	SNUUMSMVSITRMK-ZDUSSCGKSA-N	424.282	3.903	10	20	HHCD	
COc1cc(N2CCN(C(=O)Cc3cccc(C(F)F)c3)CC2)cc(OC)c1OC	790566598	ZTNFASUKJRXCFU-UHFFFAOYSA-N	420.456	3.541	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2cnn(Cc3ccccc3)c2Cl)SC1=S	790587083	PLUMLKSLPWMXGE-NTEUORMPSA-N	421.931	3.651	10	20	HHCD	
COCC(=O)N1CCc2cc(NCc3ccc(N(C)C)cc3C(F)(F)F)ccc21	793091744	FEFDBWQPDWHWKY-UHFFFAOYSA-N	407.436	3.919	10	20	HHCD	
Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)ccc1O	793609970	AGJMRQUXYDSHKA-INIZCTEOSA-N	406.914	3.573	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F	794348513	RKITZBPVSOHSMP-XCVZWFEFSA-N	401.768	3.633	10	20	HHCD	
CN1C(=O)/C(=C/c2cnn(Cc3ccc(F)cc3)c2)c2cc(Br)cnc21	794878678	OUTYHJUJNMGGLV-UBKPWBPPSA-N	413.250	3.745	10	20	HHCD	
CO[C@]1(C)CCCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	796499736	FFNDLROFWFYWDW-PUAOIOHZSA-N	420.509	3.680	10	20	HHCD	
C/C(=C\Cl)CSCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	797809753	LENBIXOBEUFUMC-OOHOIJMXSA-N	400.947	3.931	10	20	HHCD	
Cc1cc(C(=O)NCC2([S@](C)=O)CCC2)c(C)n1-c1ccccc1Br	798102528	VRYXHFHLAPBXJG-VWLOTQADSA-N	423.376	3.888	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3ccc(-c4cnn(C)c4)s3)SC2=S)cn1	800793308	OYYICLSVUWORIL-GIDUJCDVSA-N	401.542	3.771	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cc1	802546207	CURMKVWBMYHHLW-UHFFFAOYSA-N	414.918	3.784	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccnc(N4CCC[C@H](C)C4)c3)CC2)cc1	812494657	OOPYMYHUSGNVMR-SFHVURJKSA-N	408.546	3.725	10	20	HHCD	
COCCCNC(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814772185	PUALVURXLCKERD-OQLLNIDSSA-N	406.554	3.758	10	20	HHCD	
O=C1c2ccc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)cc2CC1(Cl)Cl	821192713	WMLYBVKBICQKKX-UHFFFAOYSA-N	406.674	3.759	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c1C	915269728	YZDZJXQVRBSHQN-UHFFFAOYSA-N	421.463	3.933	10	20	HHCD	
COc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	918224989	YNBDCBGWBWWTPZ-OAQYLSRUSA-N	413.493	3.718	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(OC(F)(F)F)c1	918303785	JJSQNEBIRCLZBZ-UHFFFAOYSA-N	409.408	3.638	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)cc1	919776248	IZBVHHCCYVNURL-UHFFFAOYSA-N	424.545	3.635	10	20	HHCD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	919969350	VXMBPBRJMZBKJE-QGZVFWFLSA-N	416.949	3.941	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(CC(F)(F)F)C1CC1)c2[N+](=O)[O-]	920014037	OKMVCXHNXBABHL-UHFFFAOYSA-N	418.327	3.537	10	20	HHCD	
CCN(Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(OC)c(OC)c1	921061273	AQCZGCTUNBREIE-UHFFFAOYSA-N	407.396	3.725	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cncc(OCC(F)F)c2)cc1	1253272958	MZRWQPUYYUURTF-LJQANCHMSA-N	419.472	3.613	10	20	HHCD	
COc1ccc2c(C)c(CCC(=O)Nc3c(Cl)ccc4nonc34)c(=O)oc2c1	1256176605	VXEVAUZALFXMKF-UHFFFAOYSA-N	413.817	3.871	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccc2ccccc2c1	1321367111	QXXGSDURMOXXGG-FQEVSTJZSA-N	421.493	3.819	10	20	HHCD	
CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)N(C(C)C)C(C)C	7155202	AEGOFFGJQXONCJ-YVLHZVERSA-N	422.572	3.598	10	20	HHCD	
Cc1cc(C(=O)NCc2nnc(S)n2C2CC2)c(C)n1-c1ccc(Cl)cc1	111201326	HSWXHBUMHBODRD-UHFFFAOYSA-N	401.923	3.893	10	20	HHCD	
O=C1[C@@H](N(Cc2cccs2)c2ccc3c(c2)OCCO3)CCN1CC(F)(F)F	112598940	TYSRIBNOZGDOTK-HNNXBMFYSA-N	412.433	3.689	10	20	HHCD	
CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	301486035	ZQCQOOILWPTDKD-CYBMUJFWSA-N	420.416	3.637	10	20	HHCD	
CCOC(=O)c1csc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1	482190543	CWUFDMWRTAMGSF-UHFFFAOYSA-N	401.488	3.790	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N=c3cc[nH]cc3Br)ccc21	543855323	WBSYOCNDLVUEQW-UHFFFAOYSA-N	402.292	3.736	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)CCc3ccccc3F)cc2F)C[C@H](C)O1	731682771	VGZZIYGJEKXUTN-IRXDYDNUSA-N	417.500	3.963	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	731893769	VNULEQRULDLPMG-UGKGYDQZSA-N	414.594	3.855	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccnc(Sc2ccccn2)c1	733845110	MBDOKTRKNQUSEP-UHFFFAOYSA-N	421.526	3.786	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CCc2cscn2)NC(=O)OC(C)(C)C)cc1	742750370	MIMSJEICHUWIGJ-SFHVURJKSA-N	418.563	3.524	10	20	HHCD	
CN(C)c1cc(CNC(=O)NCc2ccc3c(c2)CCCN3C)c2ccccc2n1	743712576	UUYLMNOZAQNPLX-UHFFFAOYSA-N	403.530	3.683	10	20	HHCD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	746805384	YQTXDLJFELFQCP-HNNXBMFYSA-N	403.523	3.577	10	20	HHCD	
CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCSC1	748983507	AMJCVGPEZQMIOC-NRFANRHFSA-N	411.531	3.594	10	20	HHCD	
CS(=O)(=O)N1CCC(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	748991174	WABGVJDSIWMMAM-UHFFFAOYSA-N	415.519	3.895	10	20	HHCD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	751308324	VTTNSFJGMCENHJ-IRXDYDNUSA-N	405.502	3.620	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(OC[C@@H]4CCCO4)CC3)c2C)cc1	751435225	LTUYDHFOZAZLLC-QFIPXVFZSA-N	412.530	3.903	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCC1(C2CC2)CCC1	752149489	NIONWARXOUEYSD-UHFFFAOYSA-N	411.468	3.922	10	20	HHCD	
CC[C@H](NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)s1	754335869	ZRQCVTGTRNGYIQ-KRWDZBQOSA-N	407.967	3.800	10	20	HHCD	
C[C@H](NCc1ccc(Cn2cncn2)cc1)c1cc(Br)cc(F)c1O	756381951	OUJVRGOGRLUNSF-LBPRGKRZSA-N	405.271	3.784	10	20	HHCD	
COc1ccc(N[C@H]2C[C@H](C)c3c(F)ccc(O)c32)cc1OCC(=O)NC1CC1	756806219	YCFDQNNMZUZXQG-LRDDRELGSA-N	400.450	3.858	10	20	HHCD	
COc1cc(Br)c(S(=O)(=O)Nc2ccc(O)cc2F)cc1Cl	758169667	XHPCUMQMAYDBPD-UHFFFAOYSA-N	410.648	3.757	10	20	HHCD	
CC(C)N(CCS(C)(=O)=O)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	759229535	QLDHVKKHKHWQEL-UHFFFAOYSA-N	402.520	3.796	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1C	760145693	NULNKUVFNVEQNF-UHFFFAOYSA-N	418.541	3.900	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCc1nc2c(s1)CCCC2	761228858	OIBWYNVYQDTGSW-UHFFFAOYSA-N	419.934	3.778	10	20	HHCD	
COc1ccc(C[C@@H](CO)CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1O	762556073	UUPKKKHQMAMGNC-HXUWFJFHSA-N	422.525	3.698	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1	762730390	ABUOIXHYNBWDLA-NJYVYQBISA-N	403.567	3.647	10	20	HHCD	
CC(=O)OCCc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	764723495	TWOXQKNLSQIOPN-UHFFFAOYSA-N	413.543	3.667	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H](O)c1cc(Cl)cc(Cl)c1	764846469	IMPNUVWHNATZAA-GOSISDBHSA-N	411.354	3.896	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	765239223	FHCCJSMLRLAWOH-HARLFGEKSA-N	409.530	3.804	10	20	HHCD	
Cc1c(C(=O)NCc2cccc(Br)c2O)nnn1-c1cccc(Cl)c1	765727373	MZGBQNIPYDGFHP-UHFFFAOYSA-N	421.682	3.627	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)cc1F	767317712	BHDBPUIDLZHDIV-IBGZPJMESA-N	419.463	3.907	10	20	HHCD	
CCN(CC)C(=O)CCC1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	773612088	BZFXZTSLWDWCCE-SFHVURJKSA-N	402.583	3.884	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)c1O	774341520	ARLNHJYPAJGITP-KPZWWZAWSA-N	423.307	3.739	10	20	HHCD	
COc1cccc(CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)c1O	774523707	HUQIOLHZDKZUKW-UHFFFAOYSA-N	404.220	3.654	10	20	HHCD	
C[C@@H](NC[C@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	775261476	VHBQJGRYMVSXOH-IIBYNOLFSA-N	408.464	3.796	10	20	HHCD	
CC[C@@H](NCc1cccnc1N1CCOCC1)c1cc(Br)ccc1O	775492427	NWJHAAIRXAVFFB-QGZVFWFLSA-N	406.324	3.627	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cccc(C)c2OC(F)F)SC1=S	777874890	HXIGYNZADCCKAU-XFXZXTDPSA-N	401.456	3.751	10	20	HHCD	
CC(C)N1CCN(c2cccc(NS(=O)(=O)c3cccc(C(F)F)c3)c2)CC1	780716264	UNNDSILCLCSNHP-UHFFFAOYSA-N	409.502	3.955	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(F)c1	782424022	VNSHWQUPWBEGOC-UHFFFAOYSA-N	409.461	3.961	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1	788940385	RTHPQFYIHKXXRA-PZJWPPBQSA-N	411.521	3.741	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCC(C)(C)CN1CCCC1	790710535	IRPTVXCAWGMFJT-UHFFFAOYSA-N	412.372	3.808	10	20	HHCD	
COc1ccc(CN(CCc2ccccn2)C(=O)/C=C\c2ccc(O)c(O)c2)cc1	794262418	MMXWCKCHYNMBAD-WQLSENKSSA-N	404.466	3.786	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H](c1cccnc1)c1ncc[nH]1	794795745	ITSVFXFDNJXDNG-IBGZPJMESA-N	417.435	3.539	10	20	HHCD	
CCCc1nnc(S)n1CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800570234	IOINJIWATFOFFK-CQSZACIVSA-N	421.998	3.725	10	20	HHCD	
C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	800912466	XJYXNKNFQXLCHZ-INIZCTEOSA-N	405.502	3.810	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)N(C)C2CCCC2)NC(=O)OC(C)(C)C)cc1	800940024	BOWLYUFLIJTYDH-LJQANCHMSA-N	404.555	3.902	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1	801545166	IKQJWYPAHRACCX-QGZVFWFLSA-N	418.559	3.912	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1	802331019	GNTJSDVJDDUOLW-FQEVSTJZSA-N	423.513	3.832	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OC(F)F)cc2F)cc1	802550202	QGXZQRJQPPAGJR-UHFFFAOYSA-N	423.435	3.870	10	20	HHCD	
O=C(NCCc1cnn(-c2ccccc2)c1)NCc1cc(Cl)cc(Cl)c1O	804900530	WWYUCOZZOHQRMK-UHFFFAOYSA-N	405.285	3.927	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H](c1ccccc1)N(C)C	806440231	NUDPIKVNEMEIBI-PGRDOPGGSA-N	412.603	3.730	10	20	HHCD	
COCc1cnc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	806610098	MBGAZDOREIRZJW-LBPRGKRZSA-N	412.462	3.681	10	20	HHCD	
C[C@H](NC(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1	810207463	JQDUIPWHYOBMKD-HKUYNNGSSA-N	413.949	3.880	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H](c1nc[nH]n1)c1cccs1	815560315	DQDFXKILTSBECH-KRWDZBQOSA-N	423.464	3.601	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1	914831320	VQOVVFRHTAEPAL-QFIPXVFZSA-N	423.557	3.805	10	20	HHCD	
COc1ccccc1[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1nccn1C	914849695	RAULPJGNEJDUBZ-JOCHJYFZSA-N	415.497	3.751	10	20	HHCD	
CCNC(=O)CNC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	915916907	WNAVGTSHNIBUJE-QGZVFWFLSA-N	422.451	3.617	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCN(Cc3ccncc3)CC2)c(C)n1-c1ccccc1	916221025	LEWMSQBANMYRQR-UHFFFAOYSA-N	417.557	3.559	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCN1CCc2ccccc2C1	916444110	ZIZJVWUIONONEV-UHFFFAOYSA-N	406.574	3.877	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1Cc2ccccc2S1	916456283	CCAWSGHPNUDMCB-IBGZPJMESA-N	422.472	3.875	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1	916577409	VSJQHKPFJCDSPM-KRWDZBQOSA-N	400.489	3.558	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCOc3ccccc3)cc2F)C[C@@H](C)O1	918219306	ADKHACKBZQKODI-QZTJIDSGSA-N	415.509	3.660	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1	920047001	DHHAFBPSBOTAFR-OAHLLOKOSA-N	418.335	3.823	10	20	HHCD	
CON(C)C(=O)C1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1	1324263863	GEVUFSWAMNTRSH-UHFFFAOYSA-N	403.910	3.620	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(-c2ccccc2)oc(C)c1C	1325985350	BJFZAAPDFDKUQB-SFHVURJKSA-N	423.465	3.879	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCn3c(nnc3C3CCCC3)C2)c1O	1327858427	LURJOHDZIAYXRJ-UHFFFAOYSA-N	418.497	3.594	10	20	HHCD	
COc1ccc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc1-n1cnnn1	1339449788	VUKWYQBJTKKGGF-UHFFFAOYSA-N	422.876	3.984	10	20	HHCD	
Cc1[nH]ccc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1845398646	LQKLTIVIZJQELQ-UHFFFAOYSA-N	416.525	3.861	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1	5623352	ZZMARBNJRPUYBM-UHFFFAOYSA-N	411.389	3.937	10	20	HHCD	
O=C(COC(=O)c1ccccc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	11026780	RKIVTOXWOOXACM-UHFFFAOYSA-N	419.820	3.911	10	20	HHCD	
CCCN(Cc1c(O)ccc2cc(Br)ccc12)[C@@H]1CCS(=O)(=O)C1	14264453	AQRABDYXTNHJRS-OAHLLOKOSA-N	412.349	3.707	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(Br)cn2C)cc1	96989213	SKVAJDVJZQCXTI-GOSISDBHSA-N	420.351	3.675	10	20	HHCD	
COc1ccccc1CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	117644208	DSYBVQKBRHIOOP-CALCHBBNSA-N	415.509	3.790	10	20	HHCD	
CC(C)S(=O)(=O)Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1	541093046	LVWNGOXCCLAWJG-UHFFFAOYSA-N	417.531	3.507	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc(Br)s3)CC2)cc1	726708734	QELDIDUQLMVZCG-UHFFFAOYSA-N	424.408	3.821	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)c1	728983123	UUSRXOINAKQXJP-HNNXBMFYSA-N	421.497	3.748	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(-c2cccc(Br)c2)n1	730207130	IUEWPXAATLRUGW-UHFFFAOYSA-N	413.319	3.973	10	20	HHCD	
CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(=O)OC)o3)sc2C)cc1	730932600	MRYOGJJNOXDYSV-UHFFFAOYSA-N	422.484	3.698	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(C(=O)N(C)OC)cc2)cc1F	736980826	PJEQYMLNPXEFSK-UHFFFAOYSA-N	402.470	3.627	10	20	HHCD	
COc1cccc(C(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)c1OC	738107172	KDXCALUQCQPLMW-UHFFFAOYSA-N	406.482	3.521	10	20	HHCD	
COc1ccccc1[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	738459884	IBQOGEADWCMBKD-UYAOXDASSA-N	409.530	3.792	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(F)cc1Br	740917770	UPKVWOSMZGJUAP-UHFFFAOYSA-N	404.283	3.964	10	20	HHCD	
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743568072	VPPMAWDHVLIXMM-HNNXBMFYSA-N	420.416	3.664	10	20	HHCD	
CCCN(CCC)C(=O)CCC(=O)N(CC)Cc1cc(Br)ccc1O	743807468	AXQYXJFIRSFHBY-UHFFFAOYSA-N	413.356	3.932	10	20	HHCD	
COC(=O)c1sc2[nH]c(/C(Cl)=C/c3ccc4c(c3)CCN4C)nc(=O)c2c1C	751525570	XHJWKWDWOAFSOR-LCYFTJDESA-N	415.902	3.809	10	20	HHCD	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1	752150992	DKWWBRVBVAGRDA-KRWDZBQOSA-N	404.850	3.704	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c(C)n1-c1ccc(Cl)cc1	753710787	YFNSRFYINPBCQH-WOJBJXKFSA-N	420.962	3.929	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)c1	754192422	RPAXQSNEEJHDRK-GFCCVEGCSA-N	410.392	3.712	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@H]1CCSC1	756378185	WIMOEGZMCWEMST-GVIGZQTCSA-N	412.627	3.693	10	20	HHCD	
CCC(=O)N1CC[C@H](N[C@@H](C)c2cc(Br)cc(Br)c2O)C1	756654290	KAMZXNZIUPSTLU-ONGXEEELSA-N	420.145	3.579	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(I)ccc1F	761928806	PQTFLZSKIBZOBI-UHFFFAOYSA-N	424.257	3.961	10	20	HHCD	
Fc1cc(CNc2ncc(Cl)s2)ccc1N1CCN(c2ncccn2)CC1	765015538	UYAFIRIHYBBHEJ-UHFFFAOYSA-N	404.902	3.664	10	20	HHCD	
C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(N2CCCCCC2)cc1	765332565	RGZZPGRFWPMAHC-NFBKMPQASA-N	403.636	3.926	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C\c2ncccc2C(F)(F)F)SC1=S	765502200	PJAQQEHQAAHHEP-FMIVXFBMSA-N	404.435	3.947	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(C(F)F)CC1	767082539	MYZNPAJBGSYQAO-ZDUSSCGKSA-N	412.436	3.766	10	20	HHCD	
C/C=C(/C=C/C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)CC	767660790	OOYWCAGZTUQIPF-DDGWDRFBSA-N	418.509	3.511	10	20	HHCD	
COc1cc(CN(C)Cc2ccccc2O)cc(I)c1OC	768872923	LQZZXBRZBMYAOL-UHFFFAOYSA-N	413.255	3.646	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)c1	773046911	HCYIYRMJFHAOCV-NVXWUHKLSA-N	408.502	3.886	10	20	HHCD	
C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)c(Cl)cc1O	774350016	QHTKJLCPNUPXOD-IFXJQAMLSA-N	423.340	3.820	10	20	HHCD	
COc1cccc([C@H](C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	774852708	AXMIQSUFIMMLRD-HNNXBMFYSA-N	414.461	3.760	10	20	HHCD	
C[C@H](NC(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F)c1ccc(N(C)C)cc1	775408189	XPQSJOWULLDKCZ-LBPRGKRZSA-N	406.408	3.861	10	20	HHCD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1	779022942	MDFYVFHEMCPWPE-GCJKJVERSA-N	417.594	3.630	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccccc2CN2CC[C@H](O)C2)c1O	779049497	IBODGIARKSLTMU-KXBFYZLASA-N	419.363	3.881	10	20	HHCD	
COc1cc(/C=C(/C(=O)NCCc2ccc(O)c(O)c2)c2ccccc2)ccc1O	781096051	BQZZDAPENMBKRU-CPNJWEJPSA-N	405.450	3.712	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1	781146927	DMLSYKUJSSZNJS-UHFFFAOYSA-N	402.560	3.526	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)Cc3ccc(OC)c(OC)c3)CC2)cc1	781154384	NWOOPNCRQKBIFB-KRWDZBQOSA-N	412.530	3.676	10	20	HHCD	
Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1F	781646260	JTOISJASMDFZKT-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
COCc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782429135	JTVKZFRWDSGWIO-UHFFFAOYSA-N	421.497	3.660	10	20	HHCD	
C[C@@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1cnccn1	782676589	KKTFBDWPPDJSRM-DYTQJMLRSA-N	419.553	3.824	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnccc1-c1cccc(F)c1	784031129	WUFKYFTUTULQRQ-UHFFFAOYSA-N	407.445	3.971	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)Nc1cccc([C@H](O)CO)c1	785046719	OUJNXTQWYXBHFT-HXUWFJFHSA-N	404.426	3.705	10	20	HHCD	
COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1	787045680	YYCFYMZAXLVLRY-NRFANRHFSA-N	417.937	3.706	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3cccc(N(C)C)c3)cc2F)C[C@@H](C)O1	788645810	BUMRLZJABJPYTM-HDICACEKSA-N	413.537	3.754	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccnn2-c2nc(C)cc(C)n2)cc1F	789308835	DOCGMHUXOAEKEX-UHFFFAOYSA-N	411.485	3.586	10	20	HHCD	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789861156	QAMCXAZOIOHHES-PZJWPPBQSA-N	417.619	3.577	10	20	HHCD	
Cc1cn2nc(NC[C@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)sc2n1	795227081	MGRRTMUZPKNDOU-INIZCTEOSA-N	416.551	3.843	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3ccnn3-c3ccccc3)CC2)cc1	798925774	FATFFLVAVPNMID-OAQYLSRUSA-N	419.573	3.744	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3nn(C)c(=O)c4ccccc34)cc2Cl)C1	800046658	AZVTUKHZUAEYSI-HNNXBMFYSA-N	424.932	3.753	10	20	HHCD	
CCOCCO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1	800724799	DVWCFFCYCDUNJM-FQEVSTJZSA-N	409.534	3.521	10	20	HHCD	
CCOCCCn1c([C@H](C)CC)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1	802628086	LCAASMNYVVDQCD-QGZVFWFLSA-N	419.545	3.693	10	20	HHCD	
CC(C)C[C@H]1CCCCCN1C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	803306378	SXYMCBPLESJUQQ-DENIHFKCSA-N	415.578	3.518	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)s1	806227965	UZQAKAIAHNGNPX-MRXNPFEDSA-N	403.935	3.661	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)cc1F	806772365	PLDQFGWDLSVUSY-GOSISDBHSA-N	405.436	3.661	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1F	808921211	XMTBJZRNNKSGBN-FQEVSTJZSA-N	403.473	3.647	10	20	HHCD	
CC[C@]1(CNC(=O)NCc2cccc(Br)c2O)OCCc2ccccc21	811926469	RAYUXPRREZHKQV-HXUWFJFHSA-N	419.319	3.832	10	20	HHCD	
CC(C)OCc1nc([C@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1	812645884	FHGBWBANVSQNTF-KRWDZBQOSA-N	415.538	3.888	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C(=O)Nc1cccc(C2CCC2)c1	812990580	QXRQBMRAKNVTPH-UHFFFAOYSA-N	403.276	3.677	10	20	HHCD	
COc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)c([N+](=O)[O-])cc1OC	814262892	WDPWVOKZGXKOGE-UHFFFAOYSA-N	421.494	3.839	10	20	HHCD	
C[C@@H](NCc1cccc(N2CCOCC2)c1)c1cc(Br)cc(F)c1O	815637618	BRYGILQTFLJKGB-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
Cc1ccc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1C	914703484	JJZPHNVZQANSEH-UHFFFAOYSA-N	403.451	3.910	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)cc1	916502436	LERUVHOXFYSLIJ-UHFFFAOYSA-N	420.561	3.601	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	916681685	XCXJKPDKTUIPDE-UHFFFAOYSA-N	410.426	3.771	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(=O)O)c3)cc2F)C[C@@H](C)O1	917086026	FOJGCBMARPTRCW-BETUJISGSA-N	403.410	3.658	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1	917918922	VGXLKAPAOBBZNL-ROUUACIJSA-N	420.550	3.843	10	20	HHCD	
COc1cccc(N2CCC(N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)c1	1322634337	SGWUZICBZIREEP-SFHVURJKSA-N	413.537	3.991	10	20	HHCD	
Cc1cc(-c2nnc(CN3C(=O)NC4(CCCCC4)C3=O)o2)c(C)n1-c1ccccc1	1323899939	IVLJQTMTHGYQKU-UHFFFAOYSA-N	419.485	3.899	10	20	HHCD	
C/C=C(/C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1821900555	FRGZSZJGHMDWIJ-JQVZVZTNSA-N	418.881	3.746	10	20	HHCD	
COCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F	65467106	PNDPCMDNTXLOHZ-INIZCTEOSA-N	417.481	3.570	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)COc3ccc(Br)cc3)CC2)cc1	110354020	YJDUDDPWGOPCLQ-UHFFFAOYSA-N	419.319	3.622	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NCc3ccc(N4CCOCC4)cc3)C2)cc1	237917061	AGCLKRWWYJPZHT-IBGZPJMESA-N	417.500	3.883	10	20	HHCD	
COc1cccc(CNc2ccc(I)cc2[N+](=O)[O-])c1O	301977612	FUMUYXJVGPHZTL-UHFFFAOYSA-N	400.172	3.526	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(C)nc3cc(Br)ccc23)c1	303553466	JYJYYILUMOAASS-UHFFFAOYSA-N	401.260	3.950	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)cc1	725819934	DERQSBCVDMXJGR-UHFFFAOYSA-N	424.950	3.794	10	20	HHCD	
O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N(Cc1ccco1)Cc1ccccc1O	726245077	MYKKXOYYHOWKKL-GOSISDBHSA-N	405.454	3.503	10	20	HHCD	
CCC[C@H]1CCc2c(sc(=O)n2CN(C)Cc2ccc(N3CCOCC3)cc2)C1	728040742	HUMLSTXDQWPIOJ-SFHVURJKSA-N	415.603	3.741	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)COc3ccccc3C(C)C)cc2F)CC1	730192638	IZYVDBIIOFKMFD-UHFFFAOYSA-N	413.537	3.786	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CNc3cccc(Cl)c3)cc2F)C[C@@H](C)O1	733950346	BDEZQSGSNAREAB-GASCZTMLSA-N	405.901	3.821	10	20	HHCD	
CCOc1ccc(OCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742800820	UFJANMGKXHIOLD-INIZCTEOSA-N	420.456	3.851	10	20	HHCD	
CCn1nnnc1-c1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	743179539	XFBILAIHAPBAHR-UHFFFAOYSA-N	419.533	3.918	10	20	HHCD	
Cc1noc([C@@H]2CCCN(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)C2)n1	747298539	FCCWNJKNOPNPCH-HXUWFJFHSA-N	407.518	3.917	10	20	HHCD	
CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	748373249	ASMYMKVOFWWLRL-HXUWFJFHSA-N	414.477	3.750	10	20	HHCD	
CC[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Oc1cccc(C)c1	752004592	ISUCOISFHMFSAI-IBGZPJMESA-N	415.509	3.628	10	20	HHCD	
c1cc(N2CCOCC2)ccc1CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1	752825714	BARKLPKWIZEGBN-OAQYLSRUSA-N	412.534	3.527	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnc4c(cnn4C(C)C)c3)CC2)cc1F	753878118	WTQNESWHPQXWSH-UHFFFAOYSA-N	412.469	3.514	10	20	HHCD	
COc1cc(CN2CCN(C(=O)c3cc(C)oc3C)CC2)c(O)c(C(C)(C)C)c1	754722192	FLOZARKHHZNUOG-UHFFFAOYSA-N	400.519	3.866	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)cc1	756458702	JZSUKMLVXJPFSA-RDTXWAMCSA-N	406.523	3.697	10	20	HHCD	
COC(=O)CCSc1cccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	756482992	USQRVENGDOSCQZ-ZDUSSCGKSA-N	404.488	3.939	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)ccc1Br	757018221	YGSZXTHIBHFPQH-UHFFFAOYSA-N	416.319	3.712	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(OCCO)CC2)c(C)n1-c1cccc(C(F)(F)F)c1	757122044	SJVQMPFSQYEJHX-UHFFFAOYSA-N	424.463	3.769	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](CCc4ccccc4)C3)CC2)cc1	758451024	XGZPVTQZDPOASA-DEOSSOPVSA-N	423.557	3.707	10	20	HHCD	
O=C(Nc1cccc(OCCF)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	760093158	VLCIZGZCCICYPO-UHFFFAOYSA-N	412.417	3.501	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cncnc2)c(C)n1-c1ccc(OC(F)F)cc1	760799020	KJOYTEGXPQTKQV-UHFFFAOYSA-N	401.369	3.525	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2SCC(=O)NC(C)C)c1	761972549	KGGCIGZSQWBWSO-CQSZACIVSA-N	402.516	3.509	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(C2CCCC2)n1	763419041	PYKHIQLMKUVBAH-OAHLLOKOSA-N	404.461	3.998	10	20	HHCD	
CCc1nc2c(s1)[C@@H](NCCCN1CCN(c3ccc(OC)cc3)CC1)CCC2	764683644	MRSOLIROVDGWHT-FQEVSTJZSA-N	414.619	3.893	10	20	HHCD	
C[C@H](N[C@@H](c1cccc(F)c1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764813515	FEHLMNQFRAMYCN-AOMKIAJQSA-N	412.484	3.975	10	20	HHCD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	764998103	CLXTZVVMBSEGHK-IBGZPJMESA-N	411.502	3.911	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Cc3c(C)oc4ccccc34)CC2)cc1	767045022	BSQNHZOZTOPMHZ-UHFFFAOYSA-N	421.541	3.621	10	20	HHCD	
COC[C@H]1CCCCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C1	767224680	PUNALFPIBBOKML-JTQLQIEISA-N	418.244	3.527	10	20	HHCD	
COc1cc(/C=C/C(=O)NCc2ccccc2O)ccc1OCc1c(C)noc1C	769362498	ZGAZCJMVPPJTEN-PKNBQFBNSA-N	408.454	3.914	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCSC[C@H]3c3nccs3)CC2)cc1	771317572	SGNARLLETSJCPS-SFHVURJKSA-N	418.588	3.620	10	20	HHCD	
COc1cc(SC)ccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	772647998	IELRZZMTHQDDRA-UHFFFAOYSA-N	405.495	3.715	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1ccc(Br)cc1F	772679096	YXUWTGPRVDZHRO-UHFFFAOYSA-N	411.343	3.505	10	20	HHCD	
COc1ccc(/C=C/C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1O	773406428	DHFAFSPQRFOELW-YXOJNZSOSA-N	416.905	3.554	10	20	HHCD	
COc1cc(CNCc2cccc(Br)c2O)ccc1OC(=O)C1CC1	775148128	YDZHYZVMLUIVHJ-UHFFFAOYSA-N	406.276	3.769	10	20	HHCD	
CCN(CC)CCn1c(NCc2ccc(N3CCOCC3)cc2)nc2ccccc21	776721672	HHZOIINNTNQLDW-UHFFFAOYSA-N	407.562	3.827	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	777254290	HENDVXKWGBPDIN-MRXNPFEDSA-N	415.490	3.564	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C\c3cc(Br)nn3C)SC2=S)c1	778248469	QXNSPUWCLSBILA-KPKJPENVSA-N	410.318	3.597	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	778621456	YKCGISABQSIUFT-HKUYNNGSSA-N	416.566	3.732	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1	779333362	VXXDGRHAKPYPGP-UHFFFAOYSA-N	403.530	3.986	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1	779466721	WMRRCDYRNKTLJX-UHFFFAOYSA-N	420.391	3.986	10	20	HHCD	
CCOCOc1ccc(CNCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1	782958944	JEQKZHLNWXDKCV-UHFFFAOYSA-N	401.526	3.630	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccnc1OCc1ccccc1	784024748	RTMNXMKVJBCGIA-UHFFFAOYSA-N	419.481	3.744	10	20	HHCD	
Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784106996	BNTHUEDPLIKHDW-UHFFFAOYSA-N	411.550	3.753	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1-c1ccccc1	785302200	BZTFUOKTSRDEEW-INIZCTEOSA-N	404.466	3.759	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1	790067780	DDIKROYGPDYHBH-UHFFFAOYSA-N	420.915	3.822	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(N3CC[C@H](N(C)C)C3)cn2)c(C(F)(F)F)c1	793029180	YWFSNDZPHLUMLN-SFHVURJKSA-N	407.484	3.919	10	20	HHCD	
C[C@@H]([C@@H]1OCCc2sccc21)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	794129204	XXXVSWVXSHBORR-VOJFVSQTSA-N	406.891	3.574	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(C)n1-c1cccc(F)c1	796334908	YNCMSZIJIFBSAZ-HNAYVOBHSA-N	412.427	3.909	10	20	HHCD	
CCc1cnccc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803677940	VJABLVDBOLIZDI-GOSISDBHSA-N	422.573	3.907	10	20	HHCD	
CN(C)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)Cc2ccccc2C1	805150492	UOICQZJOUNWKNV-UHFFFAOYSA-N	408.329	3.597	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)COCc3ccccn3)c2C)cc1F	805692188	GCLAXFWGRBCNJT-UHFFFAOYSA-N	410.445	3.879	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCO[C@H](C(CC)CC)C1	808070811	AKJFBQOWVLDHOP-FPOVZHCZSA-N	404.551	3.621	10	20	HHCD	
CC[C@H](NC1CCN(S(=O)(=O)CC(C)C)CC1)c1ccc(C(F)(F)F)cc1O	810233856	QWMKUDFPKLWEFD-KRWDZBQOSA-N	422.513	3.902	10	20	HHCD	
CC1(C)CCCc2sc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)nc21	810369751	XFVBNUONERBGOP-UHFFFAOYSA-N	413.543	3.596	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@]3(C)OCCc4sccc43)CC2)cc1	811943654	KOIAYISIOOPMLG-JOCHJYFZSA-N	415.559	3.513	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1	812442799	IULBGWUWBDRRCP-IBGZPJMESA-N	423.473	3.764	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(N2CCCOC2=O)cc1	814443942	QZZYHANHMJRIHD-OAHLLOKOSA-N	414.481	3.799	10	20	HHCD	
N=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1cccc(C(F)(F)F)c1	849091031	CQXDZNHMRRKLCF-UHFFFAOYSA-N	420.479	3.728	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1	916687380	AMXWMHGSIQWVKC-UHFFFAOYSA-N	412.534	3.664	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1nc(C2CC2)n(-c2ccccc2)n1	1321162229	SUYFNAKFEYSXLW-UHFFFAOYSA-N	413.275	3.543	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)sc2c1CCCCC2	1321694027	RITLPPIYAQJEQM-OAHLLOKOSA-N	412.511	3.892	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)/C=C/C2CC2)C3)cc1	1845398083	WZVIGZOMFISLQI-MDWZMJQESA-N	403.526	3.877	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cc1	24088466	UVZKIRZUGQEYGI-UHFFFAOYSA-N	420.557	3.735	10	20	HHCD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	195613017	IAKRQEJIBSXCFW-GOSISDBHSA-N	424.545	3.968	10	20	HHCD	
CN(CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCCCC1	195642161	JWWLXFZROZKNBP-OAQYLSRUSA-N	403.567	3.737	10	20	HHCD	
Cc1cccnc1[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)C	303640823	HMNQOSSXOIOZME-QFIPXVFZSA-N	410.562	3.795	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)SC2=S)cn1	726986322	OQPZXZZWQLCEKO-NTEUORMPSA-N	418.496	3.522	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2ccc(C)c(F)c2)nc1-c1ccccc1	727250507	NGZUIEHJEOUPTQ-UHFFFAOYSA-N	420.487	3.774	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCN(c3ccc(F)cc3)CC2)c1O	728194759	YNWHHVWMCMXSDH-UHFFFAOYSA-N	406.457	3.790	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc4c(s3)CCOC4)cc2F)C[C@@H](C)O1	728469323	PSSVRVYVSKAORR-OKILXGFUSA-N	404.507	3.504	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)COc2cccc(NC(=O)c3ccco3)c2)c1	728977772	CTBANVKNXZRIEM-CQSZACIVSA-N	410.426	3.502	10	20	HHCD	
COc1cccc(CNC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c1O	729859332	PCOAAXIDNSZMQX-OAQYLSRUSA-N	418.493	3.887	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1F	731364919	SZFTZFBEVXBZDC-UHFFFAOYSA-N	419.932	3.752	10	20	HHCD	
CC(C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1	732204058	AUNYDHMKPVAWNR-UHFFFAOYSA-N	409.530	3.914	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1nccc(N2CCCC2)n1	733187846	VBRUXDWLUGQBHO-UHFFFAOYSA-N	407.440	3.544	10	20	HHCD	
CCCN(CCc1cccc(F)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	733341604	BRSNNKLFQGZMKH-UHFFFAOYSA-N	417.500	3.966	10	20	HHCD	
C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)c1ccc(N2CCOCC2)cc1	733925722	SQBXAUSDVILMQQ-QGZVFWFLSA-N	407.514	3.822	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C	734467760	BTWBJXPJNYWXDC-HSZRJFAPSA-N	420.557	3.542	10	20	HHCD	
C[C@@](CO)(NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(C(F)(F)F)c1	734845411	PMCJRTXXGHUMDU-INIZCTEOSA-N	404.772	3.970	10	20	HHCD	
Cc1cccc(-c2ccc(CNC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cc2)c1	737209816	VEWSKEOMSVHBIE-UHFFFAOYSA-N	415.537	3.969	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](c1cccc(F)c1)N1CCOCC1	742056807	DZENAUZZVNWDRQ-QHCPKHFHSA-N	411.521	3.506	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCCCc3cccc(OC)c3)CC2)cc1	742969875	DNGCHWPLLIIOSC-UHFFFAOYSA-N	414.571	3.718	10	20	HHCD	
O=C(Nc1cnn(CC2CC2)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743237510	AEHMQQZHBHGIOM-OAHLLOKOSA-N	405.449	3.685	10	20	HHCD	
CSc1cccc(N2C[C@H](C(=O)NCc3c(O)ccc4c3CCCC4)CC2=O)c1	743719581	IYQMNQISVPVOGJ-MRXNPFEDSA-N	410.539	3.662	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1cccc(OC)c1	745455080	WUFLBKSPTZHZGW-UHFFFAOYSA-N	407.308	3.938	10	20	HHCD	
C[C@H](NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc(N2CCOCC2)cc1	748846004	GOSDITXNYWFVHU-INIZCTEOSA-N	417.513	3.677	10	20	HHCD	
CCCCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1(C)C	748959193	JLFVFCFDAQNOLI-FCHUYYIVSA-N	417.594	3.678	10	20	HHCD	
Cc1cc2cc(/C=C3/SC(=S)N(CCCN4CCOCC4)C3=O)oc2cc1C	749845932	VMKBYIGLMAKTLE-CPNJWEJPSA-N	416.568	3.973	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)c3cnn(C)c3)c2C)cc1	750557149	JBGXSYPHTRAVSP-INIZCTEOSA-N	409.486	3.756	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cc3occc3[nH]2)NC(=O)OC(C)(C)C)cc1	750889394	AAOIULHZJWLCKO-SFHVURJKSA-N	412.490	3.823	10	20	HHCD	
CC(C)OCCCC(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	751740856	OVRAFZHRRXSJKV-OAHLLOKOSA-N	423.465	3.537	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3	752656387	QGTXBSAILXEJDG-UHFFFAOYSA-N	418.541	3.851	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@H](c2ccc(F)cc2)C1	755126218	HJYPPFGLAIKHBI-SFHVURJKSA-N	401.457	3.501	10	20	HHCD	
COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1	755737198	PFGGWTJFWWXRKZ-UHFFFAOYSA-N	421.934	3.569	10	20	HHCD	
Cc1nc(-c2ccc(C)c(NC(=O)NCc3ccc(N4CCSCC4)cc3)c2)n[nH]1	755827704	FQTDMEUMTGMFCG-UHFFFAOYSA-N	422.558	3.963	10	20	HHCD	
CC(C)CN1CCO[C@@H](CN[C@@H](C)c2cc(Br)cc(Cl)c2O)C1	756355671	QRKIYKOSEKJNRI-JSGCOSHPSA-N	405.764	3.816	10	20	HHCD	
CN(C[C@H]1CCN(C(=O)NCCCSc2nccs2)C1)C(=O)OC(C)(C)C	759590885	MNZUHQCSCAFKRP-CQSZACIVSA-N	414.597	3.524	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3CCC[C@@H](C(C)C)C3)CC2)cc(OC)c1OC	760114132	NJOJHPIWLZDOMG-QZTJIDSGSA-N	419.566	3.759	10	20	HHCD	
CN1C(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C(=O)C12CCCCC2	761160666	QDYBQUMZSGCDMD-UHFFFAOYSA-N	407.461	3.854	10	20	HHCD	
CN1C(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)[C@@H]1c1ccccc1	761635062	GUMBAQWJGJCGFS-HKUYNNGSSA-N	415.440	3.892	10	20	HHCD	
CC(C)CC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	761640580	FQDVDCKQCFSQMN-IFMALSPDSA-N	414.594	3.889	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cccnc2OCC(F)F)cc1	763573222	TWUXXVSRMFQNRP-UHFFFAOYSA-N	406.477	3.913	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](c2c(F)cccc2F)C1	768923793	OHVKZGWATAMYIK-QGZVFWFLSA-N	401.457	3.501	10	20	HHCD	
COCCOc1cccc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	772070310	PIWFRVSTQNLDKU-UHFFFAOYSA-N	415.445	3.668	10	20	HHCD	
C[C@H](NCC(=O)N[C@H](C)c1ccccc1Cl)c1ccc(N2CCOCC2)cc1	775258816	CBZMEHPSPJMYTA-DLBZAZTESA-N	401.938	3.705	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@@H](N2CCCC2)C1	775668660	FUNLOCCASXBGAV-CYBMUJFWSA-N	404.146	3.587	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@@H](OC)c3ccccc3F)CC2)cc1F	775776539	CYHKHJRCLMFNFP-YCRPNKLZSA-N	419.472	3.581	10	20	HHCD	
O=C(Nc1ccnn1Cc1ccc(F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	779456631	OVQZXFYDHFXKGY-HXUWFJFHSA-N	424.476	3.989	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CN(c2ccccc2)C1=O	785062097	LBBKMUQPNWJYLC-HXUWFJFHSA-N	413.437	3.572	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)cc1	785297884	UBJSANIYBIINJQ-MRXNPFEDSA-N	420.465	3.884	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cc2)CC1	786258785	HHCFXKZLFJMPTA-UHFFFAOYSA-N	406.313	3.592	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCOc3ccc(C(C)C)cc3)cc2)CC1	786263273	VTQMPHOIHGUFBO-UHFFFAOYSA-N	423.557	3.564	10	20	HHCD	
CCOC(=O)c1csc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	790502254	LMTROYMPCCSDNE-RDTXWAMCSA-N	416.547	3.994	10	20	HHCD	
COC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)CCOCC1	792721637	OPQLIHZIVVAZDQ-UHFFFAOYSA-N	411.498	3.504	10	20	HHCD	
C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cc(Cl)cc(F)c3O)c2)C1=O	793608236	WKPWNSVGYZNHCM-NRFANRHFSA-N	417.868	3.699	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccsc3)cc2)cc1	795277772	NRCNDVODLPGGEB-UHFFFAOYSA-N	408.526	3.658	10	20	HHCD	
Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	799248622	SNXGEVHPHSWLMS-CYBMUJFWSA-N	400.866	3.998	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1	800999160	VITIWHOJYKCNDX-QHCPKHFHSA-N	418.582	3.979	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1csc(-c2ccccc2)n1	806928644	BHAANTOZUXELFG-UHFFFAOYSA-N	404.542	3.504	10	20	HHCD	
COc1ccc(/C=C2\N=C(SCC(=O)C(C)=O)N(c3cc(C)cc(C)c3)C2=O)cc1	808012940	ZLLGKFUYPNEOPI-NDENLUEZSA-N	422.506	3.947	10	20	HHCD	
Cc1cc(Br)c(O)c(CNCc2ccncc2OC[C@@H]2CCOC2)c1	808436185	PZBBRSKXQRCBJJ-CQSZACIVSA-N	407.308	3.563	10	20	HHCD	
Cc1nn(C)cc1S(=O)(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1	808536068	CCGSHTBEEXSZFR-UHFFFAOYSA-N	402.423	3.672	10	20	HHCD	
O=C(Oc1ccccc1)N1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)CC1	808680369	KSZZORLRKLUWEV-OAQYLSRUSA-N	409.530	3.666	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc2ccccn2c1Br	809541122	OUHMXBSZDDHNKF-UHFFFAOYSA-N	415.335	3.565	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cccc(OC(F)(F)F)c1F	813650714	ORHAWPWAYOZUSW-UHFFFAOYSA-N	418.412	3.803	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccccc3OCc3ccncc3)CC2)cc1	914164030	ORSZYZHYZJVRRN-UHFFFAOYSA-N	403.482	3.632	10	20	HHCD	
C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)C[C@H](C)O1	915081071	IOELEULRFKUEBB-PMACEKPBSA-N	407.558	3.826	10	20	HHCD	
CCOc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)cc(OCC)c1OCC	918374630	RFWFONKXMIAQAR-UHFFFAOYSA-N	414.502	3.972	10	20	HHCD	
O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccc(C2=S=CC=C2)s1	1116535931	TZQBEUOHPVDSGY-UHFFFAOYSA-N	401.538	3.543	10	20	HHCD	
Cc1nc(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)s1	1319633571	ZGEVIPMCHIWAPM-UHFFFAOYSA-N	422.418	3.801	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCCc3c2cnn3CCO)c1	1335934607	NINNNESCVQKDJB-FQEVSTJZSA-N	412.921	3.744	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1	110460793	FMOGUPUPLUUWHJ-UHFFFAOYSA-N	415.342	3.949	10	20	HHCD	
COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F	141022804	ATZTXZVDFPTXCH-INIZCTEOSA-N	401.482	3.574	10	20	HHCD	
COCCN(C)CCCC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1	472227684	ZXGUETAXNIQAPZ-UHFFFAOYSA-N	414.594	3.767	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(F)cc2nccnc12	726566993	JUNWGUCQKRBFNZ-UHFFFAOYSA-N	416.403	3.769	10	20	HHCD	
C[C@H](OCc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566994	JVEJCXYKFYLAQF-INIZCTEOSA-N	404.457	3.978	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1	728020821	FCFVOOGWBFHKGJ-UHFFFAOYSA-N	403.548	3.567	10	20	HHCD	
CCc1nc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)nn1-c1ccccc1Cl	728978378	FKCHAUIPCXVLNY-LBPRGKRZSA-N	400.866	3.688	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3ccc(F)c(Cl)c3)cc2F)CC1	730128160	ZDDMTXIPSFBITD-UHFFFAOYSA-N	422.907	3.760	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)c3ccc(F)cc3F)cc2)CC1	734012795	LTYUDTANBZRKNC-HSZRJFAPSA-N	417.500	3.908	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1csc(NC(=O)c2ccccc2)n1	734405072	AJAGEMQMKNKMHF-UHFFFAOYSA-N	408.527	3.629	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(c2ccccc2)C1=O	734657528	HYWUBORDNFJWRA-QFIPXVFZSA-N	406.530	3.624	10	20	HHCD	
O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1C(C1CC1)C1CC1	734880843	UFPTZXXPJOBEQD-QGOAFFKASA-N	400.569	3.913	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	736067561	BIDJUDICVXXEHL-RXVVDRJESA-N	402.583	3.711	10	20	HHCD	
CN(C)[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1c(F)cccc1Cl	740750319	NLVHINWRHYLTNM-FQEVSTJZSA-N	421.969	3.951	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC2(CCCC2)c2c(F)cccc21	741099818	JGZNNDYADINLFB-UHFFFAOYSA-N	419.500	3.677	10	20	HHCD	
O=C1CCc2cc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc2N1	742805081	GAPWIBCLKSEYKL-INIZCTEOSA-N	415.440	3.572	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	743212564	FWUXVLNOEUZCLB-UHFFFAOYSA-N	421.480	3.601	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C[C@@](C)(O)C(F)(F)F)c2C)cc1F	744652418	JKZSFZLPNHKHQD-LJQANCHMSA-N	415.383	3.971	10	20	HHCD	
C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	747366700	KTWBGZZQMWGJAU-JPYJTQIMSA-N	411.521	3.504	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cccc(OC(F)(F)F)c1	747742626	XCIAAOQPYAQQJX-UHFFFAOYSA-N	408.420	3.623	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C	750853844	WIUKREHBLMUMBN-IBGZPJMESA-N	419.591	3.945	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CC(c2cc(F)ccc2F)=NO1	751306698	ATMHHJUFSKBIFV-SFHVURJKSA-N	419.391	3.806	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(Br)cn(C)c2=O)cc1	751555395	LIBGYEZZYZDGPX-UHFFFAOYSA-N	421.339	3.658	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c[nH]1	753140327	ZZDREJZLHUPVTO-MLPAPPSSSA-N	423.313	3.970	10	20	HHCD	
COc1ccc(N2CCN(Cc3cccc(SC(=O)N(C)C)c3)CC2)cc1F	753858555	WFCDDDVAIRWHCK-UHFFFAOYSA-N	403.523	3.930	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)n2)ccc1F	753978760	VPZKZOSXANOHTA-UHFFFAOYSA-N	415.471	3.900	10	20	HHCD	
Cc1cnc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	755005503	DIHLTKFABYEVDF-UONOGXRCSA-N	419.506	3.905	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2Br)c1	755106626	LTHKZIVHBVSURF-SECBINFHSA-N	420.712	3.856	10	20	HHCD	
C[C@H](NCC(=O)NCCc1ccccc1)c1cc(Br)cc(Cl)c1O	756818666	QKQFMUZQRWGBOF-LBPRGKRZSA-N	411.727	3.818	10	20	HHCD	
CCOc1cccc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1OC(F)F	756954991	VVVHTXRGVKAPSY-LBPRGKRZSA-N	410.417	3.961	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(Br)c3F)c2)CC1	758057619	QOFCDPNTKHEEAC-UHFFFAOYSA-N	420.282	3.509	10	20	HHCD	
O=C1CCc2cc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)c(F)cc2N1	758163416	RRMHCSIUBGCZCB-UHFFFAOYSA-N	405.234	3.524	10	20	HHCD	
COc1cc(N2CCN(C(=O)CC[C@H](C)c3ccccc3)CC2)cc(OC)c1OC	759238635	OAJCFDUSSBZPJM-SFHVURJKSA-N	412.530	3.945	10	20	HHCD	
C[C@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1(C)C	760132746	FTCIBIAXVOAKLZ-ZDUSSCGKSA-N	408.545	3.763	10	20	HHCD	
CCN(CC)c1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	761092945	SETMEMMYCYPGEY-UHFFFAOYSA-N	401.894	3.856	10	20	HHCD	
Cc1ccc([C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)N2CCCC2)o1	761208830	NSFCEVNEWUAVBG-QGZVFWFLSA-N	417.893	3.548	10	20	HHCD	
Cc1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C(C)C)n1	761979096	FUZFHIUCKDGDSW-KRWDZBQOSA-N	402.926	3.662	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@@H](c2ccccc2)N(C)C)cc1	764458879	BXAOXFYLXJYWSN-ZEQRLZLVSA-N	409.574	3.953	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@H]2COC(=O)C2)c(C)n1-c1cccc(C(F)(F)F)c1	767602134	TZSMAXGBHDCGHL-AWEZNQCLSA-N	423.387	3.792	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc4[nH]ccc4c3)cc2F)C[C@H](C)O1	768161362	HNKVPVZDOWMJBJ-HOTGVXAUSA-N	411.477	3.616	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)c(C)n1-c1ccccn1	769328772	IDISIYBLVOJAIF-UHFFFAOYSA-N	417.469	3.719	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(/C=C/C4CCCCC4)n3)CC2)cc1	771055485	FUXANUUCBCVKKP-KPKJPENVSA-N	410.518	3.563	10	20	HHCD	
CN1CCN(c2ccc(CNC3CCN(c4nc5ccccc5s4)CC3)cc2)CC1	771819573	TUSXUTPFVPTJDM-UHFFFAOYSA-N	421.614	3.807	10	20	HHCD	
Cc1ncc(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	772013622	GOYXXRLFBICMJY-AWEZNQCLSA-N	410.490	3.564	10	20	HHCD	
CCCCn1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c(C)n1	773507786	XOUFLISNDGWABT-UHFFFAOYSA-N	401.580	3.544	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSCc1ccc(Br)cc1	773748670	NKLWGVYVFUVBDR-GFCCVEGCSA-N	410.333	3.841	10	20	HHCD	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(O)c(O)c2)cc1	778930709	YGSARJMSJLEDIA-UHFFFAOYSA-N	410.382	3.737	10	20	HHCD	
Cc1cc(-c2ncccc2NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cs1	782213565	OJIQGISZJBOQJJ-UHFFFAOYSA-N	420.538	3.974	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnc(-c2ccccc2)nc1	783315451	WLCMCCPUSAWCRB-UHFFFAOYSA-N	417.513	3.585	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2)c1ccc(N)cc1	783487604	XDFCLTWTPKSAEM-KRWDZBQOSA-N	414.509	3.994	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)c(OC(C)C)c1	784026268	UYAKDVMAHQUDNG-UHFFFAOYSA-N	400.475	3.565	10	20	HHCD	
O=C(Nc1ccc(C2CCC2)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	787457026	VCVLWMFBEJPAJM-OAQYLSRUSA-N	408.498	3.806	10	20	HHCD	
C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CN(C(=O)OC(C)(C)C)C1	788545795	JOVQWPCXIZWFDV-ZACQAIPSSA-N	421.557	3.784	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(OC)cc3OC(F)F)CC2)cc1	788785265	YMMVHGDGPCARPO-UHFFFAOYSA-N	406.429	3.704	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCc2c(O)cccc21	789817500	XSSSWEGXOFWKNM-YLJYHZDGSA-N	414.933	3.952	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cn1	790108888	XBYDBBQNHWEEGR-OSWBOIJXSA-N	403.573	3.554	10	20	HHCD	
COc1ccc(CNC(=O)NCC2(c3cccc(Br)c3)CC2)c(O)c1	792944762	DXJUPXAWSFSCJO-UHFFFAOYSA-N	405.292	3.694	10	20	HHCD	
Cc1nnc(N(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1	794024815	CVALMJWILPLXCC-XFXZXTDPSA-N	424.598	3.552	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccnn3-c3ccccc3C)SC2=S)cn1	794859372	SRGYJTRIONUTJN-BOPFTXTBSA-N	408.508	3.990	10	20	HHCD	
CCOc1ccc(O)c(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1	796391484	KRYTUVPMDDYVQI-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@]2(CCCOC2)O1	797396802	WXWKURMUOYGOLH-SBUREZEXSA-N	422.485	3.837	10	20	HHCD	
Cc1cc(Cl)nc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	799887177	PTEUGXWVSSPXGL-GASCZTMLSA-N	420.916	3.796	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(F)cc1F	803688033	UNSWZIXSJOPZFA-HXUWFJFHSA-N	415.484	3.621	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc4c(cc3O)CCCC4)C2=O)c(OC)c1	806170577	WLMYGUFNTKUELS-KSFYIVLOSA-N	424.541	3.740	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H](CC2CC2)c2ccccc2)C2CC2)cc1	806294943	SGPVZKODNNJILD-QHCPKHFHSA-N	405.542	3.901	10	20	HHCD	
C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCN1Cc1ccccc1	807621830	LEGDFIJSEAHQCD-PTUXOGIPSA-N	423.557	3.746	10	20	HHCD	
O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(Cl)cc1Cl	808114791	HKZVGVQDIRMFIJ-UHFFFAOYSA-N	414.625	3.991	10	20	HHCD	
COCCOCc1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)cc1	809145170	NOZSSCNTXPZAMT-UYRXBGFRSA-N	414.552	3.689	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2cc(Cl)cc(F)c2O)c1	809680828	ZWFWSJYMTLAIPW-UHFFFAOYSA-N	416.902	3.836	10	20	HHCD	
Cc1cnn([C@H]2CCN(Cc3cc(Br)cc(Br)c3O)C2)c1	811520151	KJFMWOHBAQKFFO-ZDUSSCGKSA-N	415.129	3.869	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COCc2ccccn2)cc1	813449254	XHIRFKZOWLGANP-UHFFFAOYSA-N	405.498	3.906	10	20	HHCD	
Cn1c(=O)c(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc2ccccc21	813790817	ZJAARZWDIQCIRB-UHFFFAOYSA-N	406.486	3.727	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1	819756327	TXHVIMORAAGGTE-UHFFFAOYSA-N	401.381	3.785	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(F)c3)n2)cc1	915219235	XNNMOKKVUAUFOO-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)c3ccc(O)c(O)c3)c2Cl)cc1	916621938	RSQQAQHGHXYWPG-UHFFFAOYSA-N	414.845	3.653	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(Br)c1	919968821	XZWCLIDDUVPGFM-UHFFFAOYSA-N	403.320	3.588	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2nnnn2-c2ccccc2)c1	1118555684	MSDKECLOEGYLMT-UHFFFAOYSA-N	406.877	3.653	10	20	HHCD	
Cn1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc(Br)c1C=O	1324770725	PFBYGFMLLYKCNO-UHFFFAOYSA-N	406.063	3.543	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)cc(OC)c1OC	1337872202	UUVHEVMGKIBRSR-UHFFFAOYSA-N	411.546	3.635	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@]3(C)C[C@H]3C)C2)cc1	1845088491	BKWRUBAEUZEFMW-OSPHWJPCSA-N	405.542	3.957	10	20	HHCD	
Cc1cc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1	110443376	KTTVONKQNITQPB-OAQYLSRUSA-N	424.589	3.535	10	20	HHCD	
C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(N2CCOCC2)cc1	145617912	NRSLFVKDNSVQQS-GOSISDBHSA-N	405.498	3.988	10	20	HHCD	
Cc1ccc(CNC(=O)c2cccc(CNCc3cc([N+](=O)[O-])ccc3O)c2)cc1	237757366	DRLJPEKJMXWONK-UHFFFAOYSA-N	405.454	3.829	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)n(C)c2ccccc12	482912368	VUDJCKXGSLPKAJ-LSDHHAIUSA-N	409.452	3.588	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCC2(Sc3ccccc3)CC2)n(C)c2ccccc12	554320099	SERUFJQBLWPGGR-UHFFFAOYSA-N	407.539	3.544	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)n(C)c2ccccc12	564002586	IEXDSAWGGWGVTE-GOSISDBHSA-N	403.526	3.930	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1	728979822	NVVUETZKJJAMHV-ZDUSSCGKSA-N	411.483	3.530	10	20	HHCD	
CCN(CCc1ccccn1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	729596206	HOOVAUSVHJXKEQ-HDICACEKSA-N	414.525	3.609	10	20	HHCD	
CSC[C@@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	736050642	FPAUKMPGJPFVQM-VSXLWIIGSA-N	400.616	3.597	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1	739811662	CELAUYSPNZXGBN-MRXNPFEDSA-N	407.495	3.613	10	20	HHCD	
COC(=O)CSCc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1	741065623	HZYQLZJZEWSJIV-UHFFFAOYSA-N	411.527	3.791	10	20	HHCD	
CCSCC[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	743555255	UELFWFFJULCTJJ-AWEZNQCLSA-N	419.513	3.873	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1O	745662551	AMHWELJVPVBVKE-MRXNPFEDSA-N	407.470	3.935	10	20	HHCD	
CC(=O)c1ccccc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1	746218503	XRGJVRUJGOJXMI-UHFFFAOYSA-N	401.466	3.633	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC3CCN(C4CCN(C)CC4)CC3)c2C)c1	749364706	UBHPXTILAWAJAH-UHFFFAOYSA-N	422.617	3.999	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(F)cc1C(F)(F)F	749731575	TYKBCHWQYNYGJH-UHFFFAOYSA-N	407.414	3.538	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCN(C)c3ccccc32)cc1	750728070	UMGATIUNNVIPHF-JTHBVZDNSA-N	407.558	3.884	10	20	HHCD	
COCCN(CC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(OC)c(OC)c1	751484298	WEQZEEAZSZHWAZ-UHFFFAOYSA-N	424.900	3.608	10	20	HHCD	
COc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1	751932914	ZHRGJRVKFBEJTQ-ZDUSSCGKSA-N	411.483	3.509	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCC1([C@H](O)c2ccccc2)CC1	752649390	CZCZFRQLFKHKCS-OAQYLSRUSA-N	411.571	3.553	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(OCc4cccnc4)c3)CC2)cc1F	753729493	AVGJVSVYTHPONQ-UHFFFAOYSA-N	421.472	3.771	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCC3(c4cccc(F)c4)CC3)CC2)cc1F	753917365	DKRHWIQUXXCGCV-UHFFFAOYSA-N	401.457	3.537	10	20	HHCD	
Cc1cc(S(=O)(=O)NCCN[C@H](C)c2ccc3ccccc3c2O)c(C)s1	756758167	GCEHRYRXVHEVBP-CQSZACIVSA-N	404.557	3.853	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1Cl	757855432	AERJRPSZYBTNQT-UHFFFAOYSA-N	406.273	3.658	10	20	HHCD	
COC(=O)c1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cn1C	759515150	RCOMMSPKOPALJQ-UHFFFAOYSA-N	410.474	3.705	10	20	HHCD	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N(c1nccs1)C1CCCCC1	759598659	XCWJJGAAPBKAQB-GDAGCXPBSA-N	416.499	3.865	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-c4nnc(S)o4)cc3)c2)CC1	760010403	PNXLTKOTLRUFHX-UHFFFAOYSA-N	423.542	3.808	10	20	HHCD	
C[C@@]1(c2ccccc2)NC(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C1=O	761162717	VPZHFAHFQFSKNP-QFIPXVFZSA-N	415.440	3.724	10	20	HHCD	
CCCC(=O)N1CCCC[C@@H]1C(=O)N(CC)Cc1cc(Br)ccc1O	761751318	DPAINIFJWCFQPG-MRXNPFEDSA-N	411.340	3.684	10	20	HHCD	
Oc1cccc2c1C[C@H](NCc1cc(Br)cc(Br)c1O)C2	763481057	QBFOSUZEHCKDRK-GFCCVEGCSA-N	413.109	3.880	10	20	HHCD	
CCc1nc2c(s1)[C@H](NCCCN1CCN(c3ccc(OC)cc3)CC1)CCC2	764683646	MRSOLIROVDGWHT-HXUWFJFHSA-N	414.619	3.893	10	20	HHCD	
C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(S(C)(=O)=O)cc1	765119705	ZPXRBMNWAMJHPG-ZACQAIPSSA-N	420.550	3.694	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1	765240457	SSWLIOFRXZAJMY-FQEVSTJZSA-N	424.589	3.654	10	20	HHCD	
O=C(CCc1nc(-c2ccsc2)no1)NCc1cccc(Br)c1O	765751568	GLQAWMRXFYMVJV-UHFFFAOYSA-N	408.277	3.515	10	20	HHCD	
COCOc1ccc(OC)cc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	766454383	LUNNXUYEBZMXQI-IRXDYDNUSA-N	418.509	3.720	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(-c2ncco2)cc1	767130095	ZPHALENWIIDJIX-UHFFFAOYSA-N	410.449	3.764	10	20	HHCD	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCCc1ccc(O)c(O)c1	767774944	MXORUKCCPCXISQ-UHFFFAOYSA-N	414.845	3.877	10	20	HHCD	
CCOc1c(OC)cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC	768163110	UFGOPGGVNAAWAP-LJQANCHMSA-N	401.503	3.989	10	20	HHCD	
Oc1ccc(Br)cc1CN1CCC[C@H](c2nnc3n2CCCCC3)C1	768225569	ITHSIORBOYFAHE-AWEZNQCLSA-N	405.340	3.852	10	20	HHCD	
Cc1ccc(O)c(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1	768790308	CXBWMFWJHPMOFA-CQSZACIVSA-N	404.308	3.709	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(COC(C)(C)C)on2)cc1	771289107	IVWPVGFDLVMQQY-IBGZPJMESA-N	415.534	3.877	10	20	HHCD	
C[C@@H](NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(N(C)C)cc1	773208392	JCCCCZRBNIMJDW-QGZVFWFLSA-N	403.530	3.987	10	20	HHCD	
C[C@H](NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1)c1ccc(N(C)C)cc1	773617506	DMCMPQHSLDWIPK-SFHVURJKSA-N	400.567	3.638	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1	773622577	GQXPANDUQGVWBR-QZTJIDSGSA-N	423.561	3.740	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1	774486111	VWPMWDBOIAEGHB-QZTJIDSGSA-N	410.562	3.912	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1O	774881793	WUTMIQPTLLAROS-SFHVURJKSA-N	406.866	3.908	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cc(=NCc3ccccc3)cc[nH]2)C2CC2)cc1	776802575	RBZWPLLHPICTPI-UHFFFAOYSA-N	400.526	3.986	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(S(=O)(=O)CC)cc2)cc1	776932881	VUNAJANGXNFMHO-UHFFFAOYSA-N	417.575	3.668	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)OCC(F)(F)F	777823820	YIBRMGNQMDDJBG-CQSZACIVSA-N	410.392	3.771	10	20	HHCD	
Cc1cc(C(=O)OC2CCN(C=O)CC2)c(C)n1-c1cccc(Br)c1	779240667	LBMAZYWNQZYVRL-UHFFFAOYSA-N	405.292	3.634	10	20	HHCD	
CCc1cnccc1[C@H](C)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	783013438	QRKODOPAKUAJIQ-HNNXBMFYSA-N	413.477	3.709	10	20	HHCD	
Cc1c(CSC(C)C)cccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	785296638	HGFUKBHVJYYRMQ-AWEZNQCLSA-N	416.543	3.734	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cn1ccc2ccccc2c1=O	790811744	DOOVVPAZFCAOMP-UHFFFAOYSA-N	415.287	3.518	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1[N+](=O)[O-]	790834477	CXYVUVBUUGEWIX-UHFFFAOYSA-N	403.504	3.631	10	20	HHCD	
Cc1cccc(CC2(O)CCN(C(=O)NCCCSc3nccs3)CC2)c1	793100755	COTLVANTSUPOQG-UHFFFAOYSA-N	405.589	3.713	10	20	HHCD	
CO[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	793102981	PVOWBNMFSPKLTN-CRAIPNDOSA-N	414.468	3.754	10	20	HHCD	
COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(O)c(Cl)c1	795344647	YJLONHJMQCSEHK-UHFFFAOYSA-N	410.662	3.940	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	799236761	WYSWUSISEBOCTO-OAHLLOKOSA-N	414.462	3.713	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OC3CCC(N4CCCC4=O)CC3)ccc21	799679073	FEHOEIZAQBCXQM-UHFFFAOYSA-N	412.530	3.995	10	20	HHCD	
O=C(c1ccccc1F)c1cc(Cl)ccc1NCc1nnnn1CC(F)(F)F	799967126	GGNZPHAPEXUCLJ-UHFFFAOYSA-N	413.762	3.871	10	20	HHCD	
Fc1cc2c(cc1Br)[C@H](NCc1ccc(N3CCOCC3)cc1)CO2	800310199	YFTJCIHKCFFUNZ-GOSISDBHSA-N	407.283	3.648	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccn(CCN(C)C)n3)cc2Cl)C1	800544069	VAZKXWQKMGYHML-MRXNPFEDSA-N	418.973	3.656	10	20	HHCD	
Cc1nc(SCCC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n[nH]1	800571359	IPYCIFGJOZRXOH-ZDUSSCGKSA-N	407.971	3.801	10	20	HHCD	
CCc1[nH]nc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1[N+](=O)[O-]	800571470	JZUPKYYRFVBHTL-GFCCVEGCSA-N	405.886	3.700	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C	803389509	DLUKJNRZTPOXGE-SFHVURJKSA-N	406.523	3.547	10	20	HHCD	
CCOc1ccc(CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C(C)C)cc1	807290739	NAYDLCKJEMTUOG-UHFFFAOYSA-N	421.541	3.515	10	20	HHCD	
O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc(C2CCC2)cc1	807387001	ULCHFYISBARGAV-UHFFFAOYSA-N	403.276	3.677	10	20	HHCD	
CC1(C)CCCc2sc(NC(=O)NCc3ccc(N4CCOCC4)cc3)nc21	810313247	APVBOESUKUFBCP-UHFFFAOYSA-N	400.548	3.915	10	20	HHCD	
CN(C)C(=O)[C@@H]1CCCN1CCCN[C@@H](CCc1ccccc1)c1ccccc1O	815573665	PWQHHZXKMKCBOV-GOTSBHOMSA-N	409.574	3.598	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccc(C(=O)OC)cc1	815576863	ACRUTBBKRFKILP-JOCHJYFZSA-N	413.537	3.995	10	20	HHCD	
COc1cc(N2CCN(Cc3conc3Cc3ccccc3)CC2)cc(OC)c1OC	816569215	CQFDUAJHUSCZSJ-UHFFFAOYSA-N	423.513	3.613	10	20	HHCD	
COc1cc(C=O)ccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	915115626	OMDVILVVTIDTTL-UHFFFAOYSA-N	422.481	3.775	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	916565416	CYEXVONXWITMGK-VGSWGCGISA-N	400.494	3.867	10	20	HHCD	
COc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc(OC)c1OC	916667612	OSDONNSCONIMNZ-QGZVFWFLSA-N	416.474	3.631	10	20	HHCD	
CCCCCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(C)C	917053417	LLNKUJMIDHXDNT-OALUTQOASA-N	407.574	3.956	10	20	HHCD	
CC(C)Oc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	917711274	FLSCZYGQAMYTLS-HZPDHXFCSA-N	401.482	3.552	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)n1	917861309	NUDVKDYZKDVCRD-UHFFFAOYSA-N	416.480	3.598	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1	917925312	JGRLIDPGKAXTQZ-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
CCN(Cc1ccccc1F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	1115918272	HKSTXJZZTPJGOF-UHFFFAOYSA-N	403.473	3.658	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3c(C)ncnc3O)c2C)cc1C	1317835725	PQBYCBFHLGSBCL-UHFFFAOYSA-N	421.497	3.874	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(n2cc(Cl)cn2)CC1	1320769844	GWJDAXONURIFTL-UHFFFAOYSA-N	419.982	3.636	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(CN2CCOCC2)c1	110675790	OTMCFNKWLXQIFX-UHFFFAOYSA-N	407.558	3.781	10	20	HHCD	
CC(C)Sc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1	195625940	OEALIFKGOKPHRR-UHFFFAOYSA-N	404.557	3.674	10	20	HHCD	
COc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1-n1nnnc1C	303148335	NGAPPJVOSFTMDF-UHFFFAOYSA-N	402.458	3.639	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)ncc1Br	327738505	XEYTZOSNCCMHKZ-UHFFFAOYSA-N	424.726	3.606	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(Br)c1	392744569	DIDMHJXEOAKMJM-UHFFFAOYSA-N	407.283	3.663	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(CC2CCCCC2)C2CC2)c1	725771760	KORJWJXEADIUMV-UHFFFAOYSA-N	400.563	3.972	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	725858383	PIEHNCVNNWEIFG-FUHWJXTLSA-N	404.555	3.587	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)C2CC2)cc1	728754857	RVZBZEKQCLIKGP-QHCPKHFHSA-N	420.601	3.991	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Cn3cccn3)o2)cc1	728836657	ARBADVWIDXMCJB-UHFFFAOYSA-N	406.408	3.795	10	20	HHCD	
C[C@H](NC(=O)NCCCCCN1CCCCC1)c1ccc(N2CCOCC2)cc1	732243892	UYHQWIPIAKNEMK-FQEVSTJZSA-N	402.583	3.540	10	20	HHCD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1	735682505	VSIUSHVLOQEJOO-QUCCMNQESA-N	405.608	3.880	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(-c3csc(CN4CCOCC4)n3)c2C)cc1	736348125	MLNKPHIOLZFNRH-UHFFFAOYSA-N	411.527	3.836	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1	738282689	IEGYGMBIRVVSJZ-UHFFFAOYSA-N	402.922	3.893	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccnc(N3CCCCC3)n2)cc1	739550724	GIAOIUIGPYAIBC-UHFFFAOYSA-N	421.467	3.738	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(OC2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1	741912277	VWVDCAMQJPQDMS-GOSISDBHSA-N	410.514	3.572	10	20	HHCD	
CCCc1noc(CCCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	742805280	INCHFTVTVFAAKV-OAHLLOKOSA-N	422.476	3.731	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1O	745780794	VQZOXZQGWYPJFJ-UHFFFAOYSA-N	420.391	3.605	10	20	HHCD	
CCOC(=O)Nc1ccc2c(CN3CCOc4cc(N(C)C)ccc43)cc(=O)oc2c1	746493598	ZTNSWVOPUCOAJQ-UHFFFAOYSA-N	423.469	3.826	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)NCc1ccc3c(c1)CCCN3C)O[C@@H](C)C2	746718404	DHLUNQQUSKMTQC-INIZCTEOSA-N	409.530	3.791	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCCNC(=O)c3cccs3)c2C)cc1	748774134	DKQZBEABXWGOGP-UHFFFAOYSA-N	411.527	3.714	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C3CC3)[C@@H](C)CS(C)(=O)=O)c2C)c1	749389941	JVBPYZKMOSDBHM-KRWDZBQOSA-N	402.560	3.749	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCc3ncnc(O)c3C2)cc1	750712935	GVHGSKJTHCBROQ-UHFFFAOYSA-N	402.458	3.862	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3nnc4ccccn34)c2C)cc1	750822116	QSPZFPLMPUVMJB-UHFFFAOYSA-N	417.513	3.850	10	20	HHCD	
C[C@H](NC(=O)N(CCc1ccccc1)[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1	752914991	LLESFAPIGSPSQR-GBXCKJPGSA-N	423.557	3.627	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	754678064	ZXYRYCQXGYKORH-UAGQMJEPSA-N	409.324	3.644	10	20	HHCD	
C[C@H](NC(=O)CSc1nc(-c2ccccc2)no1)c1ccc(N2CCOCC2)cc1	755166401	UQPRZEPDHDDOJV-INIZCTEOSA-N	424.526	3.543	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cc(Br)c(OC)c(OC)c2)c1	756688612	PDMTYHRCGYCPEG-LLVKDONJSA-N	424.291	3.809	10	20	HHCD	
COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1cc(Br)cc(Cl)c1O	756857358	WABFWWXVZVQUSS-ABAIWWIYSA-N	421.763	3.636	10	20	HHCD	
C[C@@H](NC(=O)N1CCO[C@@](C)(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	759731951	QIAZLFFXUIXCMR-NTKDMRAZSA-N	409.530	3.541	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1N(C)C1CCCC1	762415306	CBUQEVDNDPDJGM-UHFFFAOYSA-N	408.546	3.729	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccncc1Br	764324794	RGVFWEXPWCUTCD-UHFFFAOYSA-N	414.097	3.975	10	20	HHCD	
CCNC(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	764948157	FXWDPLNUPJZPMG-INIZCTEOSA-N	401.938	3.777	10	20	HHCD	
O=S(=O)(Nc1cc(Br)c(F)cc1Cl)c1cccc2nonc12	765095865	RAIOYFVHQJIOAC-UHFFFAOYSA-N	406.620	3.579	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(=O)c2ccccc2o1	768912618	PXFKWYQJVUFRAR-INIZCTEOSA-N	412.873	3.546	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C)c1ccc(N(C)C)cc1	773854996	YLFGTXQIMLISHW-OAHLLOKOSA-N	421.545	3.753	10	20	HHCD	
C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)c(Cl)cc1O	774349496	SWYNPIFHIITSCB-JTQLQIEISA-N	419.286	3.732	10	20	HHCD	
CC(=O)c1cc(F)cc(CN[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1O	775360503	GCCCSXZXCZFGLV-CYBMUJFWSA-N	404.457	3.685	10	20	HHCD	
C[C@@H](NC(=O)CCSCc1nc(O)c2ccccc2n1)c1ccc(N(C)C)cc1	775408177	XMPHRMUUBDPEBF-OAHLLOKOSA-N	410.543	3.902	10	20	HHCD	
CC[C@@H](NCCNC(=O)c1cccc(OC)c1)c1cc(Br)ccc1O	775495901	BHMMHJPQDZROJN-QGZVFWFLSA-N	407.308	3.634	10	20	HHCD	
COc1ccc(-c2nnc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)s2)cc1	775836751	IPRZZJAKUBTQFR-LLVKDONJSA-N	400.460	3.811	10	20	HHCD	
COc1ccc(O)c(CNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1	776153841	GOIVRFHCEFKCSK-IBGZPJMESA-N	410.436	3.583	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(OCCNCc3cc(OC)ccc3O)c2)cc1	776175739	ZFEFFPOROPMYRK-UHFFFAOYSA-N	422.481	3.830	10	20	HHCD	
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776250512	UTXBQCKCGDWKLV-XXBNENTESA-N	409.578	3.905	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cn1	779026994	OGYLIZWEVWHEPW-HXUWFJFHSA-N	424.499	3.717	10	20	HHCD	
COC(=O)[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cc(F)ccc1F	779180451	VBYWYBTYVSTXAR-HXUWFJFHSA-N	419.428	3.867	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	779390472	GWLRHKIHVLRFFI-QGZVFWFLSA-N	406.571	3.976	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2[nH]c3ccc(Br)cc3c2C1	779496388	AFMGEQMCTMRQIR-QHHAFSJGSA-N	413.271	3.940	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1	779498256	CMOZXJLSBBNLHK-QCDXTXTGSA-N	406.413	3.819	10	20	HHCD	
Cc1c(C(=O)N2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)sc2ccccc12	779519233	IWCPIYWHJSLXLN-CLFYSBASSA-N	422.506	3.619	10	20	HHCD	
COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)/C=C/c2ccc(O)c(O)c2)c1	779543863	YQMDSSDYDLJHSH-CYNGKWMKSA-N	419.477	3.882	10	20	HHCD	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)nc3)SC2=S)cc1	780142558	GFRZUJWQYVEWDZ-XNTDXEJSSA-N	400.481	3.673	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1F	782895728	DWSQFNVCJGKFFE-UHFFFAOYSA-N	400.450	3.840	10	20	HHCD	
CC(=O)N1CCN(c2cccc(N[C@@H](C)c3ccc(Br)cc3O)c2)CC1	783293030	FUPVHPUEWOJIIS-AWEZNQCLSA-N	418.335	3.996	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(C)ccc1F	785198745	ZUOXXKLBNXNZQO-UHFFFAOYSA-N	409.255	3.589	10	20	HHCD	
COc1cccc2c(NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c(C)cnc12	786776445	MMUUKQTWROFQPX-GOSISDBHSA-N	404.514	3.866	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)cc2F)C[C@H](C)O1	788880555	BULYHVYFGKZCDV-PVLSJSCWSA-N	415.484	3.934	10	20	HHCD	
Cc1cc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)sc1Cl	788896291	NHHONGZUFFFEGT-AWEZNQCLSA-N	401.937	3.785	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(F)c(Cl)c2)cc1	788953072	YNMMNOBDUHYVDZ-UHFFFAOYSA-N	405.901	3.600	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1OC[C@H]1CCCCO1	789834391	GXBDVBMIHSAQKI-DOTOQJQBSA-N	400.475	3.798	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1cccc(F)c1	790366178	FFMHPQSDSNKBQP-QGZVFWFLSA-N	400.494	3.686	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2c(O)ccc(Cl)c2F)C(C)C)cc1	792167019	AAYCJPLCQYDVNI-INIZCTEOSA-N	424.900	3.793	10	20	HHCD	
Cc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1N1C(=O)CNC1=O	793359305	VVLCNMUOMJVFTR-UHFFFAOYSA-N	406.408	3.748	10	20	HHCD	
C[C@@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cc(F)cc(F)c1O	793559332	KJFJHZJCKBJNTA-IPQOISQHSA-N	415.440	3.746	10	20	HHCD	
CN(C1CCCCC1)S(=O)(=O)c1cccc(NCc2cc3c(cc2O)OCO3)c1	796427150	BADUNJNSGHGASU-UHFFFAOYSA-N	418.515	3.686	10	20	HHCD	
CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c1	796427812	BGTQYGQFOATOID-LLVKDONJSA-N	413.883	3.643	10	20	HHCD	
CC[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1O	796813049	VNPLSYINBSZTGV-HXUWFJFHSA-N	406.523	3.673	10	20	HHCD	
CCNC(=O)C1(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCC1	799981931	OKVWVOMQZIIDEA-INIZCTEOSA-N	420.985	3.682	10	20	HHCD	
CCc1nc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cs1	806116902	JYYYCFNVEHAERO-INIZCTEOSA-N	414.575	3.532	10	20	HHCD	
CCOC(=O)COc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	806187136	KAIUPMKNJHKIHS-UHFFFAOYSA-N	413.257	3.963	10	20	HHCD	
C[C@@H](CCOCc1ccccc1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	806542695	WFEKPALPVURYCZ-VQTJNVASSA-N	411.546	3.879	10	20	HHCD	
Cc1ccccc1-n1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)nn1	806569923	KQKFCCLTFPUVBX-YVLHZVERSA-N	422.491	3.680	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(COCC2CC2)c1	807513313	YRHJHBJPBLOHNT-UHFFFAOYSA-N	423.296	3.881	10	20	HHCD	
CCC(CC)(CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)SC	807776008	WVIOLMMTVZZPAS-UHFFFAOYSA-N	404.532	3.552	10	20	HHCD	
CC[C@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1O	810241296	QYWQMXXLKBYOHT-MMNRESRNSA-N	413.484	3.535	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@@](CO)(Cc4ccccc4)C3)ccc21	813051333	KGJWZNAUKZMAFY-RUZDIDTESA-N	407.558	3.596	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(F)(F)[C@@H](CO)C3)cc2Cl)C1	813156530	JAORVBSOJGTCQC-GDBMZVCRSA-N	415.912	3.735	10	20	HHCD	
COc1ccc(CCNCc2cc(Cl)cc([N+](=O)[O-])c2O)c(Cl)c1OC	815144542	GSSXBFFRTGGQGI-UHFFFAOYSA-N	401.246	3.957	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nc1	815535315	JLZRUVDNRQOORV-UHFFFAOYSA-N	424.428	3.845	10	20	HHCD	
O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)Nc1nnc(C2CC2)o1	914894001	ZEZVZUMESDBVAV-UHFFFAOYSA-N	407.386	3.864	10	20	HHCD	
COc1ccccc1C1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCC1	1318191512	VVXCMFQFGNBSOP-UHFFFAOYSA-N	412.505	3.534	10	20	HHCD	
Cc1nnc(O)c2c(NC(=O)CN(C)Cc3ccc(N4CCCCC4)cc3)oc(C)c12	1319889820	JQHOMGSNWCTPCI-UHFFFAOYSA-N	423.517	3.606	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnn4ccncc34)c2C)c1	1322606312	AFQFALMSKOHMBD-UHFFFAOYSA-N	420.494	3.898	10	20	HHCD	
Cc1ncc(Br)c(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1	1343628219	XSIUPYLYWHBDEV-UHFFFAOYSA-N	402.248	3.689	10	20	HHCD	
COc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1N1CCCC1=O	106073479	ULEQXHGPRDZGKF-UHFFFAOYSA-N	404.470	3.877	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3csc(Cc4ccccc4)n3)CC2)cc1	106117777	VWMKBZRTRDSLIA-UHFFFAOYSA-N	407.539	3.634	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(-c4nc(C)c(C)c(O)n4)cn3)CC2)cc1	301404192	KPQHVBKWOXWLCC-UHFFFAOYSA-N	405.502	3.951	10	20	HHCD	
Cc1c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)n(C)c2ccccc12	473268002	GQEOMDVQIIOGIV-DSKINZAPSA-N	403.530	3.731	10	20	HHCD	
CCCNC(=O)Nc1ccc(CC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726562602	MPEGHTXPBGNZMY-UHFFFAOYSA-N	424.545	3.554	10	20	HHCD	
COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	726620805	KKZNKWZNOILVJR-MRXNPFEDSA-N	420.916	3.632	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1	728839329	COCIVOZGCDMPTB-NRFANRHFSA-N	420.431	3.815	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1O	729556091	VZWBWFDCDVRIKH-UHFFFAOYSA-N	410.499	3.742	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2nc(C(F)F)[nH]c2c1	730081508	SEAIPBVGXCRRRI-UHFFFAOYSA-N	418.419	3.531	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](c3nnc(S)n3C3CC3)C2)c(C)n1-c1ccccn1	732170923	WOZAAKOUENTQJS-MRXNPFEDSA-N	422.558	3.724	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1	734533407	DEVJOEOBEATVGL-LLVKDONJSA-N	402.838	3.665	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](c1ccccc1)C1CCOCC1	734544016	YBOTXCURVZTODU-DEOSSOPVSA-N	423.557	3.833	10	20	HHCD	
Cc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(O)c(C(C)(C)C)c1	740862608	YQJQUNNMIFNTFZ-UHFFFAOYSA-N	411.502	3.864	10	20	HHCD	
Cc1cccc(N2CCN(CCC(=O)NCc3ccc(N4CCCCC4)cc3)CC2)c1	746172717	NWLZBCZKFFZONZ-UHFFFAOYSA-N	420.601	3.814	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccs2)cs1)c1cncc(Br)c1	747859107	VZDJZWMCHSBEJS-UHFFFAOYSA-N	402.320	3.830	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1O	749445157	QBFILONMBGYMGR-ZDUSSCGKSA-N	404.869	3.969	10	20	HHCD	
Cc1cnccc1CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	755058685	HXDPRELPOWDDRB-UHFFFAOYSA-N	404.461	3.502	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CN[C@@H](C)c2cc(Br)c(F)cc2O)c1	756587844	CWSLOLRJHFWRDF-YPMLDQLKSA-N	414.271	3.695	10	20	HHCD	
CCC(CC)NC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc2O1	758960828	XWXMGHGPYYFAAO-XASXRRJKSA-N	413.905	3.847	10	20	HHCD	
CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1cccc(Br)c1O	764807803	WCHSXTIMBRPAIA-PIGZYNQJSA-N	411.271	3.869	10	20	HHCD	
COc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl	767217718	ZDMUZMFFDZJXCY-QGZVFWFLSA-N	404.894	3.945	10	20	HHCD	
Cc1cc(C(=O)CN2CCOC3(CCOCC3)C2)c(C)n1-c1ccc(F)c(Cl)c1	767905289	HRFAUDZBOWSPAP-UHFFFAOYSA-N	420.912	3.951	10	20	HHCD	
COc1cccc(CNC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1O	767945722	RDIRPNKAMAKHND-OAHLLOKOSA-N	406.523	3.690	10	20	HHCD	
CCOc1cccc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1O	768310555	BVICYLQNNDUYSI-UHFFFAOYSA-N	408.420	3.768	10	20	HHCD	
Oc1cc2c(cc1CN1CCC[C@@H](c3nc(C(F)(F)F)cs3)C1)[C@H](O)CO2	768461390	CCLFZEKKJDWPHI-QMTHXVAHSA-N	400.422	3.673	10	20	HHCD	
COC(=O)c1cccc(CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	769007683	KBUGJEQWWRXJPS-UHFFFAOYSA-N	409.530	3.848	10	20	HHCD	
COc1ccc(CCC(=O)N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cc1	769127532	MFLWJVWBRRBTLH-UHFFFAOYSA-N	421.585	3.963	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(NC(=O)NC(C)C)c3)c2)CC1	771635986	KFNLCCFYCMDNJW-UHFFFAOYSA-N	409.534	3.611	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1	773743657	GCPYYUVKCXIHIC-UZUQRXQVSA-N	421.493	3.848	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	773760555	BTYRIQYLLIWLER-LLVKDONJSA-N	423.366	3.802	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1)c1ccc(N(C)C)cc1	773847035	MISFFELNOJPWJA-KRWDZBQOSA-N	415.493	3.800	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc(CCCc2ccccc2)cc1	774356791	NCBXAXXSLMWTHA-UHFFFAOYSA-N	418.493	3.571	10	20	HHCD	
CC[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1	774874741	MIMRUSCHNPKDIS-HXUWFJFHSA-N	419.928	3.673	10	20	HHCD	
Cc1ncsc1/C=C\C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2	776858128	SNBGVWHXDHPZRF-FPLPWBNLSA-N	402.472	3.568	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@](O)(c4ccc(F)cc4)C3)cc2)CC1	776914040	UKKNDDKPLKUWOO-XMMPIXPASA-N	411.521	3.865	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNC(=O)c2sccc2-n2c(C)ccc2C)cc1	777419527	OGTKSEYNOTWSSP-UHFFFAOYSA-N	402.541	3.879	10	20	HHCD	
Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)CC3	779020914	VQPPOCKXGQSPFS-PMACEKPBSA-N	416.569	3.825	10	20	HHCD	
Cc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(N2CCCC2)n1	781385729	PNGQNAURQYJXAB-NRFANRHFSA-N	424.545	3.587	10	20	HHCD	
CN(CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(OCc2ccccc2)cc1	781964082	OKMRXDKULPAODH-UHFFFAOYSA-N	424.522	3.744	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1F	782719041	RSSZMBCPLSOEAY-AWEZNQCLSA-N	413.419	3.654	10	20	HHCD	
O=C(Nc1ccccc1-n1cccn1)C(=O)N(Cc1ccccc1O)C1CCCCC1	782896121	NADSEANWOAVFJZ-UHFFFAOYSA-N	418.497	3.878	10	20	HHCD	
O=C(Nc1cccc(-n2ccnc2)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1	782896123	NBRLDWATQOPEEL-UHFFFAOYSA-N	418.497	3.878	10	20	HHCD	
CCCNC(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	784061165	MAULDPYAYOEKIK-UHFFFAOYSA-N	422.529	3.713	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N[C@H](c2ccccc2)c2cccs2)cc1	784556020	OPPLQVUTPBHGPS-HSZRJFAPSA-N	424.522	3.642	10	20	HHCD	
CC[C@@H](C)[C@@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccccc1	786659511	LXNFGOHTOLPCJU-NTKDMRAZSA-N	407.558	3.801	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1	787857653	VBNGDJNZVJZTQY-AWEZNQCLSA-N	406.429	3.610	10	20	HHCD	
C[C@H](N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CN(C(=O)OC(C)(C)C)C1	788609547	QGKXVQPKHRXRCH-KXBFYZLASA-N	423.985	3.855	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1Cl	789370155	HNHVJOXMAPXFCH-UHFFFAOYSA-N	414.845	3.815	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc2ccccc2c(O)n1	791246002	IVJKSFBFTHTVGM-UHFFFAOYSA-N	421.497	3.943	10	20	HHCD	
COC[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)[C@@H]1CCCO1	799984819	KSNUTTBGLIEAAU-QSFXBCCZSA-N	409.958	3.570	10	20	HHCD	
Cc1ccncc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800636619	LOXFYPWKFZVGRR-CQSZACIVSA-N	400.910	3.535	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1	801945411	GPHUZSAKJVUQTO-DVECYGJZSA-N	421.545	3.757	10	20	HHCD	
O=C(NCCOc1ccc(C(F)(F)F)cn1)NCc1cc(Cl)cc(Cl)c1O	805203367	ZFYCXKIUKBZMMU-UHFFFAOYSA-N	424.206	3.991	10	20	HHCD	
COc1cc(O)c(CN[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)cc1OC	809662963	ONDPIZWVNVSOMD-DODAUVCRSA-N	411.498	3.657	10	20	HHCD	
C[C@H](NC(=O)c1cc(Cl)ncc1Br)c1ccc(N2CCOCC2)cc1	810207652	MKJWVFZPJRXOTA-LBPRGKRZSA-N	424.726	3.825	10	20	HHCD	
O=S(=O)(c1ccc(Cl)c2nonc12)N(Cc1cccnc1)c1ccc(F)cc1	814379999	PNIMEWRUCJRFHH-UHFFFAOYSA-N	418.837	3.806	10	20	HHCD	
O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cc21	917887970	HZNQORRMDXCUDD-UHFFFAOYSA-N	406.872	3.935	10	20	HHCD	
Cc1ccc(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1F	918199241	QQAZYXWTTDJKTJ-CXUHLZMHSA-N	407.513	3.943	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H](c1cccs1)C1CC1	918199672	NNBQRAGKLKUIFC-HXUWFJFHSA-N	403.523	3.799	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	918305518	JPNBOUWQEZKHQF-UHFFFAOYSA-N	422.460	3.676	10	20	HHCD	
CC(C)c1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	919923865	ZVCAZETYUCBTEJ-NRFANRHFSA-N	408.546	3.511	10	20	HHCD	
CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(N2CCCC2)cc1	1320493954	JEAGMBLSXIAAPC-UHFFFAOYSA-N	402.560	3.591	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H](c2ccccc2)c2cnn(C)c2)c1O	1325301179	WLUYJHWNVOHYBC-SFHVURJKSA-N	402.292	3.776	10	20	HHCD	
O=C(Cc1ccc(I)cc1)Nc1c(Cl)ccc2nonc12	1325346351	UHANLGBAQCOQAY-UHFFFAOYSA-N	413.602	3.662	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCn2cnc3c(C)cccc3c2=O)cc1	14318083	MOUYSNIDLCADLI-UHFFFAOYSA-N	406.530	3.600	10	20	HHCD	
C[C@@H](SC(=S)N1CCCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21608181	RHCJCPZUCACGPM-CYBMUJFWSA-N	424.547	3.903	10	20	HHCD	
Cn1cc(/C=C/C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)cn1	96403118	VZPVZMCZDDFYRM-JWAJRPJHSA-N	401.466	3.951	10	20	HHCD	
CC(C)n1ncc2c(C(=O)NCCc3ccc(O)c(O)c3)cc(-c3ccco3)nc21	97002239	IVTVMUAAAFWXQE-UHFFFAOYSA-N	406.442	3.656	10	20	HHCD	
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccco1	108559640	GXAIMORFDQKKOV-UHFFFAOYSA-N	405.454	3.929	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCCOc3ccc(F)cc3F)CC2)cc1	109271686	DQERMDVOTPNAFJ-UHFFFAOYSA-N	404.457	3.871	10	20	HHCD	
CCc1cc2c(N3CCN(c4cc(OC)c(OC)c(OC)c4)CC3)ncnc2s1	302152390	LCDUBOSADQCINN-UHFFFAOYSA-N	414.531	3.606	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2cc(OC)ccc2OC)cc1F	303380150	VPZCCJVFCOSTCA-UHFFFAOYSA-N	403.498	3.731	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2Cl)n(C)c2ccccc12	504272744	PRXUDRPEVLOZSL-ZDUSSCGKSA-N	401.869	3.773	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)c(C)n1-c1cccc(Br)c1	725891196	SNDMTSDMKBVXQZ-MRXNPFEDSA-N	402.336	3.823	10	20	HHCD	
CCn1c(SCC(=O)N[C@@H](C)c2cc(OC)ccc2O)nnc1-c1cccs1	728978966	AMOAUSQYAAOOBQ-LBPRGKRZSA-N	418.544	3.710	10	20	HHCD	
COc1cccc(CNC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)c1O	729858643	AQRBRIQWNOIQTH-UHFFFAOYSA-N	400.866	3.688	10	20	HHCD	
COc1ccccc1C[C@@H](C)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	730590700	SINXLOGQBPVVQF-LJQANCHMSA-N	410.558	3.789	10	20	HHCD	
CCCCN1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1	731219752	GPVGLZDPOTYCOO-OAQYLSRUSA-N	404.624	3.694	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(CN3CCOC3=O)cc2)cc1F	731402924	PFKFSYCCSDNAMQ-UHFFFAOYSA-N	414.481	3.946	10	20	HHCD	
Cc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)C	732676103	HFPKTPWZWFYSOB-OFNKIYASSA-N	422.573	3.893	10	20	HHCD	
Cc1cc(CC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	733226877	FHBAZTABKBCFJW-HOCLYGCPSA-N	410.967	3.570	10	20	HHCD	
COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1	734525309	ZGZGNDGRGMCPLO-SFHVURJKSA-N	416.953	3.801	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(CS(C)(=O)=O)c2C)cc1F	735177684	WUPBPPNMJTXOER-UHFFFAOYSA-N	421.538	3.847	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)o2)NC(=O)OC(C)(C)C)cc1	742754507	PBAHAGPVTSRAJL-HNNXBMFYSA-N	407.898	3.995	10	20	HHCD	
CO[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	743564397	KNKXPCAADUTADL-KKSFZXQISA-N	417.937	3.925	10	20	HHCD	
O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NCc1c(O)ccc2c1CCCC2	743719749	QSYGSLRDWKUQDQ-UHFFFAOYSA-N	422.506	3.982	10	20	HHCD	
CCN(CC(=O)N(C)Cc1cccc(OC)c1)Cc1cc(Br)ccc1O	743872406	VDMIOLJZCRNMHL-UHFFFAOYSA-N	421.335	3.644	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1	746321273	JXWVYKVEOGNAHV-GOTSBHOMSA-N	409.505	4.000	10	20	HHCD	
COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(N)cc3)CC2)c2ccccc12	746478721	VIHKOYXCGZVVFP-UHFFFAOYSA-N	403.482	3.922	10	20	HHCD	
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1	747505148	WYNIRHBXULLBBB-UHFFFAOYSA-N	416.566	3.755	10	20	HHCD	
Cc1ccc(N2CCC(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)CC2)nc1	751307761	MQUCHXMHDJOPPC-UHFFFAOYSA-N	412.497	3.955	10	20	HHCD	
CCc1ccc([C@@H](C)NC(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1	751937704	UGRBYXMRNINHRU-OAHLLOKOSA-N	423.538	3.913	10	20	HHCD	
CCc1ccccc1-n1cc(O)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	752795071	APEWARSIBLUXDU-LJQANCHMSA-N	421.497	3.667	10	20	HHCD	
CCOC(=O)CC[C@@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	752796724	KBSINAKBVACUAX-KRWDZBQOSA-N	411.498	3.884	10	20	HHCD	
CCOc1ccccc1C(F)(F)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	753138364	LXQWIGQYVVKRBE-UHFFFAOYSA-N	404.457	3.971	10	20	HHCD	
Cn1cnc2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc21	753141423	SLYDCUHLPNNCAY-UHFFFAOYSA-N	400.429	3.574	10	20	HHCD	
O=C(c1ccc(O)cc1)N1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1	753538676	WVOJRSOLTAMFSX-UHFFFAOYSA-N	418.493	3.635	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc([C@@H]2CCCO2)n1	755936970	QJIJZQFFSCOKOX-DYVFJYSZSA-N	423.485	3.995	10	20	HHCD	
C[C@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc(Br)c(F)cc1O	756889936	ADZICWKFCKGDNA-JTQLQIEISA-N	422.254	3.865	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(Br)c1F	760347055	AUJVGRPXDNYNAB-UHFFFAOYSA-N	421.310	3.727	10	20	HHCD	
O=C(Nc1cc(NS(=O)(=O)c2cccc3nonc23)ccc1F)C1CCCCC1	765051502	AUOWPFGFYKCZBM-UHFFFAOYSA-N	418.450	3.682	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@@H]34)cc2F)C[C@@H](C)O1	767936210	IIQPUHGAYHYMOI-XPHCVMMMSA-N	423.532	3.824	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCO[C@]4(CCSC4)C3)cc2)CC1	768527318	WRCLXVWFLXUCND-SIKLNZKXSA-N	403.592	3.777	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(F)cc2nccnc12	769290133	HYAZZBNTHGBRTJ-UHFFFAOYSA-N	404.239	3.899	10	20	HHCD	
C[C@H](NC(=O)Cc1ccccc1I)c1ccc(N(C)C)cc1	773017618	HSEYSIXCIPQMBW-ZDUSSCGKSA-N	408.283	3.777	10	20	HHCD	
Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773856016	HWVJDDWZNMDUGQ-ZDUSSCGKSA-N	404.308	3.639	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1F	775051098	KVXICJNZBCWVFH-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
CCCNC(=O)CN1CCC(N[C@@H](CC)c2ccc(Cl)c(Cl)c2O)CC1	775491962	JNYKVKXJEPTGTH-INIZCTEOSA-N	402.366	3.730	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(CN(C)C(=O)OC(C)(C)C)CC3)cc2)CC1	775677785	PQYDHXAWBPRGIF-UHFFFAOYSA-N	416.610	3.517	10	20	HHCD	
CCN1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)[C@H](C)C1	777301253	IRROQAITWGCGKZ-QMMLZNLJSA-N	404.599	3.638	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(Oc2cncc(Cl)n2)CC1)c1ccc(N(C)C)cc1	777637725	OHDQSHXTXWOQSG-CQSZACIVSA-N	403.914	3.510	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cn2c(n1)CCCC2	779792178	PLFKGUBKUBKQDY-UHFFFAOYSA-N	416.484	3.997	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCCS2)NC(=O)OC(C)(C)C)cc1	783581331	XLYSQRRDHJLFNY-MSOLQXFVSA-N	407.580	3.720	10	20	HHCD	
CC(C)(C)C(=O)NC1CCC(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	788741597	AQNSPWCFNAKXIQ-UHFFFAOYSA-N	417.619	3.577	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1	788976532	DNRUOORADZDNSP-UHFFFAOYSA-N	413.949	3.650	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c(C)n1-c1ccccc1Br	791174567	WTDUICIYYSGVDB-KBPBESRZSA-N	423.376	3.838	10	20	HHCD	
CCc1cc(CN2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)c(O)c(C(C)(C)C)c1	792717275	TYXIJLVWWVVADF-NGOKVRLYSA-N	403.592	3.774	10	20	HHCD	
C[C@@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(N(C)C)cc1	793561653	RNGAFFUZWWOUFO-VOIUYBSRSA-N	406.530	3.828	10	20	HHCD	
Cc1c([C@@H](C)NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)oc2ccccc12	793623568	BOQLRMHFDSWAGI-MRXNPFEDSA-N	405.498	3.617	10	20	HHCD	
CN(CCCNC(=S)Nc1cc(F)c(N2CCOCC2)cc1F)c1ccccc1	795165604	WJQVMWACNHVPHB-UHFFFAOYSA-N	420.529	3.614	10	20	HHCD	
Cc1cnn(C)c1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1	795546494	CUQVVUOISXIRFJ-UHFFFAOYSA-N	414.459	3.563	10	20	HHCD	
O=C(OCc1cnc(Cl)cn1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	798566326	DDGZIDMXFMMFRG-UHFFFAOYSA-N	413.216	3.916	10	20	HHCD	
COCc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(-c2ccccc2)s1	799576846	JEPUZJWWVIZDRT-UHFFFAOYSA-N	423.538	3.723	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)c1cccc(Br)c1	799886209	WGVRFJNTGFSOHT-IBGZPJMESA-N	418.335	3.582	10	20	HHCD	
O=[N+]([O-])c1cnc(Sc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)s1	799928350	QUWBIAKEUUYFBN-LBPRGKRZSA-N	407.452	3.779	10	20	HHCD	
COCCOC[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	799992977	BKWZXQHJEOXTMA-PKOBYXMFSA-N	423.985	3.771	10	20	HHCD	
Cc1ccc(C2=NO[C@H](CNC(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1C	802187845	SRCJHJXMFFTJJW-QFIPXVFZSA-N	404.514	3.672	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1c(Cl)ccnc1Cl	805135910	VVYAKNUMNMCYQF-UHFFFAOYSA-N	402.086	3.879	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	805464900	OFAPITPHQCGGAW-OAHLLOKOSA-N	423.300	3.805	10	20	HHCD	
C[S@](=O)Cc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	805869680	YVJGJGYIMARSIA-VWLOTQADSA-N	401.315	3.577	10	20	HHCD	
CN(C)C(=O)C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1	806531286	JSJWZYGEMLRWHT-MRXNPFEDSA-N	410.301	3.718	10	20	HHCD	
Cc1ccc(C2(CNC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)CCC2)cc1C	807289557	ZILZXWQAKUQFEY-UHFFFAOYSA-N	417.553	3.534	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1	808926191	MOAFNVDXEJOWME-UHFFFAOYSA-N	404.470	3.503	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncc(C(F)(F)F)c1	809727612	PNCJNIWCYUCBAY-MRXNPFEDSA-N	413.827	3.854	10	20	HHCD	
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1ccc(N2CCCC2)cc1	810112356	RELLWPHAIPSQIJ-UHFFFAOYSA-N	400.832	3.780	10	20	HHCD	
Cc1ccc(/C=C2/SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)s1	814275046	LZQBHACNROPKFC-XNTDXEJSSA-N	424.594	3.713	10	20	HHCD	
COC(=O)CCC[C@@H]1CCC[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	815120822	VWGLHVWGTFPCNE-HKUYNNGSSA-N	406.542	3.779	10	20	HHCD	
C[C@H](NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1	857758510	JACNCIWRQFDAMR-OALUTQOASA-N	421.541	3.967	10	20	HHCD	
COc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1F	915748882	NUVRCXRPNAXXNZ-UHFFFAOYSA-N	409.461	3.539	10	20	HHCD	
Cc1ccc([C@H](CNC(=O)c2sccc2-n2c(C)ccc2C)N2CCOCC2)o1	917391661	FDPVVLWFEOYOOT-IBGZPJMESA-N	413.543	3.860	10	20	HHCD	
Cc1nnc(COC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1C	917952722	BXVCQTXRWKAXGP-UHFFFAOYSA-N	403.280	3.651	10	20	HHCD	
CCN(CC)c1ccc(CNCCNC(=O)c2ccc(Br)cc2)cc1	918196936	AESFFEPWSKJVTO-UHFFFAOYSA-N	404.352	3.815	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2csc(COc3ccccc3)n2)SC1=S	918736285	WMMJZNLBWZXDGN-NTEUORMPSA-N	420.537	3.788	10	20	HHCD	
CCCOc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)ccc1OC	920474133	WGKXEUJQVVGIFQ-QGOAFFKASA-N	406.573	3.779	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@@H]3C[C@@H](O)c3cccs3)cc2F)CC1	1116448854	AVIORMHKQHFHHZ-WIYYLYMNSA-N	403.567	3.727	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@]2(C)C[C@@H]2C)C3)cc1	1845399150	VWKMBDPWPLESOI-XDHUDOTRSA-N	405.542	3.957	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnn(C)c2)c(C)n1-c1cccc(Br)c1	12851716	OTFVSIPLOIRWRN-UHFFFAOYSA-N	416.275	3.630	10	20	HHCD	
C[C@@H](NC(=O)NCC1(N(C)C)CCCCCC1)c1ccc(N2CCOCC2)cc1	65698204	RZCGCULTYWOFPN-LJQANCHMSA-N	402.583	3.538	10	20	HHCD	
Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	226942059	GDOXHCKTYSTOFT-OKZBNKHCSA-N	400.494	3.831	10	20	HHCD	
Cc1ccc([C@H](CN2CCOCC2)NC(=O)NCc2c(C)c3ccccc3n2C)cc1	471547944	OGWIQVDLQSRULV-QFIPXVFZSA-N	420.557	3.668	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cccc(Oc3ccccn3)c2)n(C)c2ccccc12	472814769	YMDOMDQCQFBAAC-UHFFFAOYSA-N	414.465	3.929	10	20	HHCD	
CC(C)c1nc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)c2ccccn12	532151849	HSUKXPSZHRFFAH-SDNWHVSQSA-N	400.438	3.810	10	20	HHCD	
COc1ccc(COCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726566700	ACBBFUYKARMFMY-UHFFFAOYSA-N	420.456	3.598	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@H](c4ccccc4F)C3)CC2)cc1	727603957	BFPFOUVSBRSHJN-QFIPXVFZSA-N	413.493	3.586	10	20	HHCD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	727730130	VXZKRAHWISNDEF-HSZRJFAPSA-N	419.566	3.817	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NCC3CCCCC3)ccc21	728637294	IWDYCARCIPWWTE-UHFFFAOYSA-N	400.519	3.758	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3ncsc3c2)cc1F	731408530	OTNNNULFYPVPLD-UHFFFAOYSA-N	400.479	3.537	10	20	HHCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	731909671	IORSTPROGVODQK-SSDOTTSWSA-N	404.322	3.565	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCN1Cc1ccccc1	734167489	VHOOUFKHLHQLLQ-HSZRJFAPSA-N	424.614	3.704	10	20	HHCD	
O=C(NCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1c(F)cccc1Cl	735927409	RQZPANXDDKCNLF-UHFFFAOYSA-N	416.836	3.737	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	741099562	FOWJZCZYHQOTBA-UHFFFAOYSA-N	423.822	3.990	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2ccc(N3CCCC3)cc2)CC1	742302740	OOQCHZVZJKQACH-UHFFFAOYSA-N	401.551	3.940	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1O	743333554	SNTFTVRTMPPOJS-KXBFYZLASA-N	414.502	3.919	10	20	HHCD	
Cc1ccc([C@@H](O)CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	745904935	VPFMRNKSGIRKQN-PXNSSMCTSA-N	419.472	3.598	10	20	HHCD	
CN(CC[C@@H]1CCCCN1C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905292	YUELHHYCJKVDST-MSOLQXFVSA-N	424.536	3.773	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2	749581622	ACYHNPNFIARWSL-WZONZLPQSA-N	407.558	3.981	10	20	HHCD	
CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	750299131	LDZWIEMQXPZAOH-SFTDATJTSA-N	405.608	3.759	10	20	HHCD	
C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1	750984541	SKHFEQXZUVKCRN-OFVILXPXSA-N	422.617	3.696	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3cc4cccc(OCC)c4o3)nc12	754582703	HKBQYPNMUHYUAP-ZDUSSCGKSA-N	424.457	3.607	10	20	HHCD	
CCc1noc(CC)c1CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755224568	URQJTJQJAGUFHK-CQSZACIVSA-N	422.476	3.869	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(F)c(C(F)(F)F)c2)SC1=S	755381144	NXAXJIHACDIZBH-WQLSENKSSA-N	407.410	3.999	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1[N+](=O)[O-]	757675085	FEQKFXGPMCYYLO-ZDUSSCGKSA-N	409.364	3.734	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)NCCCSc1nccs1)c1ccccc1F	759555067	VATPPIKMGFLEHE-OAHLLOKOSA-N	405.524	3.587	10	20	HHCD	
Cc1cc(NC(=O)[C@@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)ccc1Br	759594917	OMRRCBPELDBMAC-HXUAIIEXSA-N	420.259	3.752	10	20	HHCD	
COc1cc2c(cc1NCC(=O)N[C@H](C)C(=O)N1CCCCC1)oc1ccccc12	762782288	NTEHICKAPYUQRF-OAHLLOKOSA-N	409.486	3.524	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)C(C)(C)C(=O)N2	765285103	DMAYELVDEZNWCH-HNNXBMFYSA-N	411.521	3.867	10	20	HHCD	
COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc(O)cc1C(C)=O	766047009	ATGBOMCGYSDHGX-UHFFFAOYSA-N	406.847	3.606	10	20	HHCD	
COC(=O)c1cc(CN(C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)oc1C	768215664	KMCFEQCZMQVSHB-UHFFFAOYSA-N	401.463	3.905	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cccc(Br)c1O	769380636	LAWHCXLZNLJTOG-UHFFFAOYSA-N	414.683	3.689	10	20	HHCD	
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769912171	UDPHDZASYDTRCO-OAHLLOKOSA-N	402.516	3.767	10	20	HHCD	
COc1ccc(N2CCN(Cc3c[nH]nc3-c3c(F)cccc3F)CC2)cc1F	770298648	ANPQPQQSNMWAGD-UHFFFAOYSA-N	402.420	3.825	10	20	HHCD	
CC(C)N(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(N(C)C)cc1	771790558	DIOHMEWHMJXNFO-UHFFFAOYSA-N	412.490	3.869	10	20	HHCD	
COC(=O)c1ccc2c(O)nc(CN(Cc3ccc(N(C)C)cc3)C(C)C)nc2c1	771792453	ZCGVEPOIXXKVIY-UHFFFAOYSA-N	408.502	3.599	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3csc(Br)c3C)CC2)cc1F	772144470	UBSNQNYKQCEJHV-UHFFFAOYSA-N	413.312	3.929	10	20	HHCD	
C[C@H](NC[C@@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1	773063985	KZJCISQMCIPQJK-MGPUTAFESA-N	405.336	3.670	10	20	HHCD	
CC[C@H](CSC)N(C)c1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-]	773258288	BDEQMRFVXVNLEI-MRVPVSSYSA-N	408.274	3.852	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N(Cc1ccccc1)CC(F)(F)F	774751521	FUQUUWGVKPLVCX-UHFFFAOYSA-N	407.436	3.543	10	20	HHCD	
C[C@H](NC[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	775259349	IAPYCBUFZBXLMU-YZZKKUAISA-N	418.965	3.966	10	20	HHCD	
CCN(C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H](C)c1ccc(F)cc1	775259672	KDLSMIQLIFYHMI-RTBURBONSA-N	413.537	3.923	10	20	HHCD	
C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(N(C)C)cc1	775403880	LBYKBBVSJLPFBS-CQSZACIVSA-N	406.935	3.590	10	20	HHCD	
COCc1nc(OC)c2c(C)c(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)sc2n1	775412573	ZDVYMQOFMILIDG-CYBMUJFWSA-N	414.531	3.712	10	20	HHCD	
CC(C)(C)[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F	775981839	UYKQOQSURCAUCM-QGZVFWFLSA-N	401.473	3.672	10	20	HHCD	
COc1cccc(OC)c1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O	776190347	SDFKIMIVLBKGQL-YBEGLDIGSA-N	401.465	3.808	10	20	HHCD	
CC[C@@H](C)Oc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccn1	776897387	VWXROXXMNZDFDI-QGZVFWFLSA-N	414.575	3.812	10	20	HHCD	
Cn1c(COC(=O)/C=C\c2ccc(O)c(O)c2)nc2ccc(Br)cc21	777064643	DMXBIWSURLYVFK-CLTKARDFSA-N	403.232	3.504	10	20	HHCD	
C[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(N2CCCCC2)c(F)c1	777676164	IKCMHZZLKLAZAU-INIZCTEOSA-N	412.509	3.594	10	20	HHCD	
CCOc1ccc(C[C@@H](CNCc2cccc(Br)c2O)C(=O)OC)cc1	779432633	XZEHSXNBLXFOCS-INIZCTEOSA-N	422.319	3.675	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(N(C(=O)/C=C\c2ccc(O)c(O)c2)C2CC2)CC1	779509722	MTCJOPFLFYFGQE-UITAMQMPSA-N	402.491	3.502	10	20	HHCD	
COc1cc(N2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	784219672	HGSYNFGPTBRCTK-RRFJBIMHSA-N	421.494	3.742	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C2CC2)cc1	784674646	LVJLJZLESNOZSJ-UHFFFAOYSA-N	402.498	3.877	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2C)c(-n2cc(Cl)cn2)n1	786768132	MEHWIDNAEVLSOI-UHFFFAOYSA-N	412.925	3.603	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1	787017903	UGBLPUHRMAIGLY-AWEZNQCLSA-N	419.978	3.879	10	20	HHCD	
Cn1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(-c2ccoc2)n1	789924981	RSXOJTJIFPRNRJ-UHFFFAOYSA-N	416.428	3.680	10	20	HHCD	
C[C@H](NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	790836456	YEGKNTHGSDIXMT-IEZWGBDMSA-N	422.545	3.803	10	20	HHCD	
CO[C@]1(C)CCCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	792882235	PVKNCXLDMYTRDS-DRSNIGMVSA-N	407.530	3.540	10	20	HHCD	
C[C@@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cc(F)cc(F)c1O	793559336	KJFJHZJCKBJNTA-VERVWZFWSA-N	415.440	3.746	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)ccc3-n3cccn3)c2)CC1	793756648	QWYVJLDYDFATBX-UHFFFAOYSA-N	407.493	3.794	10	20	HHCD	
CC[C@@H](NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccc(C)cc1O	794795551	QGLRUMJLSRHQEX-RTWAWAEBSA-N	414.546	3.832	10	20	HHCD	
C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1cc2c(cc1O)CCCC2	794829356	RDPKUFJBBMYVQM-BLVKFPJESA-N	403.320	3.911	10	20	HHCD	
CNC(=O)COc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)c1	797680183	DFQVXRSHXFROAG-UHFFFAOYSA-N	423.469	3.653	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H](CO)CC(F)(F)F)cc2Cl)C1	799993790	FXLBWEXJACVJBH-TZMCWYRMSA-N	407.864	3.689	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3c(O)cnc4ccc(Cl)cc34)CC2)cc1	801607273	DGXSAXFMJGRVKB-UHFFFAOYSA-N	411.889	3.955	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)n(-c2ccccc2)n1	802610591	HMULFWQVYVOIAF-UHFFFAOYSA-N	406.486	3.654	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1)c1ccc(F)cc1F	804853756	UGJVWDLDNLCRFA-LJQANCHMSA-N	421.463	3.834	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](N3CCCC3)[C@@H]2C)c(C)n1-c1ccc2c(c1)OCCO2	805769064	RJDXOGPRPYUSDP-SIKLNZKXSA-N	423.557	3.607	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cc(F)cc(N2CCOCC2)c1	806244847	ALMBCRCNUCAIFR-UHFFFAOYSA-N	414.264	3.996	10	20	HHCD	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)NCCCSc1nccs1	806276906	NMVJPTBTNSYZRR-ZDUSSCGKSA-N	403.529	3.707	10	20	HHCD	
C[C@@H](CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)Cc1cccs1	807628026	PDJKSUVZFFKIKP-MRXNPFEDSA-N	412.511	3.571	10	20	HHCD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	807700025	FAZOEYJDVQSTLX-AZUAARDMSA-N	416.543	3.695	10	20	HHCD	
COc1cccc(CNCc2c(Br)cncc2Br)c1O	811506957	MGNNDAWOSBFGGM-UHFFFAOYSA-N	402.086	3.611	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1	915209703	MSSLQKCRMDNTCT-RTFZILSDSA-N	400.563	3.828	10	20	HHCD	
COc1ccc2c(=O)c(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c[nH]c2c1	916732557	RSRKUZAPIRREDM-UHFFFAOYSA-N	405.498	3.799	10	20	HHCD	
Cc1ccccc1-c1csc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1	917885713	KIXGHPKNURIRMP-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
O=C(NCc1ccc(-n2ccnc2)c(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	920238959	PEFVVPJJBFMJMX-LJQANCHMSA-N	424.476	3.608	10	20	HHCD	
COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1320246280	LALGRGWKJHNANI-HNNXBMFYSA-N	402.800	3.971	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)c(C)o1	1800715578	GQCQAUVNZWBKFY-QDMKHBRRSA-N	418.877	3.527	10	20	HHCD	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1	54786633	IYYMLGIRWDSHLN-UHFFFAOYSA-N	407.436	3.884	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnc(-c4ccccc4)nc3)cc2F)C[C@@H](C)O1	109269722	CBHTYOYNLXTGLA-CALCHBBNSA-N	420.488	3.826	10	20	HHCD	
CCOc1cccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)c1O	236918928	AGUGYBWTLVBEEL-UHFFFAOYSA-N	406.486	3.797	10	20	HHCD	
COc1ccc(-n2ccc(CNC(=O)NCc3c(C)c4ccccc4n3C)n2)cc1	471722399	CIKIPXVCCHBTLK-UHFFFAOYSA-N	403.486	3.680	10	20	HHCD	
Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1	472788394	MXJCHIQARXFWAY-UHFFFAOYSA-N	415.497	3.544	10	20	HHCD	
CN(C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1)C(=O)OC(C)(C)C	726249592	JSUJWBNIIYGVNY-QGZVFWFLSA-N	422.545	3.680	10	20	HHCD	
CC(=O)Nc1ccc(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726565397	LILSPIIRWMKPJL-UHFFFAOYSA-N	417.456	3.574	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3n[nH]cc3Br)c2C)cc1	729255658	GZPTVUITVKPOCR-UHFFFAOYSA-N	403.280	3.518	10	20	HHCD	
COc1cccc(CNC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1O	729858967	JOFTWBJUQVOPRC-HSZRJFAPSA-N	420.509	3.554	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCc4ccc(F)cc43)cc2F)CC1	730130527	FCDHLUBKATYMHA-NRFANRHFSA-N	414.500	3.593	10	20	HHCD	
CCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H](C)CS(C)(=O)=O	732985357	QLKCLNRXYKHRQH-MRXNPFEDSA-N	402.520	3.796	10	20	HHCD	
CCOC[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	733848464	WUCKWWAEVMADJW-MRXNPFEDSA-N	411.493	3.715	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cc(F)ccc1I	733884757	WVCKKEAZUOYYPX-UHFFFAOYSA-N	422.288	3.799	10	20	HHCD	
Cc1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C(C)C)n1	734100484	BVZJPXGEYXJEQH-GJZGRUSLSA-N	400.498	3.591	10	20	HHCD	
O=C(Cc1cccc(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735518203	HFPXTFCIPMIADM-SFHVURJKSA-N	404.304	3.905	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1	736657018	OPHZGOODBJWEOB-QUCCMNQESA-N	411.521	3.998	10	20	HHCD	
CSC[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	737995668	QROKDRRCYHGQDS-GOSISDBHSA-N	411.365	3.700	10	20	HHCD	
COc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	738460071	MFCCQUCCLLCNBU-LJQANCHMSA-N	411.571	3.948	10	20	HHCD	
CCCn1ccc2cc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)ccc21	741097772	YEKVIULNZFIION-UHFFFAOYSA-N	402.498	3.682	10	20	HHCD	
C[C@@H](OC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)NC(=O)NC1CC1	741830845	YSUHETDYSGGERN-CQSZACIVSA-N	423.473	3.702	10	20	HHCD	
Cc1nnc(-c2cccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2)o1	742246310	UZZFAMNXBYLKGU-GJZGRUSLSA-N	424.476	3.728	10	20	HHCD	
O=C(Cc1cc(F)ccc1F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	742551557	IGKKACXJWYEMBT-UHFFFAOYSA-N	414.374	3.679	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccco1	743340570	HKGUKGOHYSMYGJ-UXHICEINSA-N	415.534	3.759	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C(F)(F)F)CC3)cc2F)C[C@@H](C)O1	743555275	UVVODPJBMOZYMN-OKILXGFUSA-N	417.447	3.923	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)Oc1ccc(F)cc1	743555304	VKFRCGIFOOMILG-INIZCTEOSA-N	403.523	3.646	10	20	HHCD	
Cc1ccc(N2CC[C@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2=O)cc1	745855959	BMMOSGFJBIKCCA-QFIPXVFZSA-N	406.530	3.541	10	20	HHCD	
Cc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1N1CCOC1=O	746733997	YJECNXWANVESAB-QGZVFWFLSA-N	424.501	3.671	10	20	HHCD	
CN(C)CCOc1ccccc1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	746977871	XVNHXGLUMKJZND-UHFFFAOYSA-N	424.589	3.959	10	20	HHCD	
CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccccc2Br)c1C)C(=O)OC	748788796	XKLDCBWYDXLWIT-LJQANCHMSA-N	407.308	3.928	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(F)c1I	749840038	KAVAOSMQXLHXSK-UHFFFAOYSA-N	412.246	3.735	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc(Br)cc1[N+](=O)[O-]	751017646	HEZZDXSLDONOLY-UHFFFAOYSA-N	402.295	3.726	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3nc(CCc4ccccc4)no3)cs2)cc1	751931556	RIESCXZRPMXEFY-UHFFFAOYSA-N	420.494	3.841	10	20	HHCD	
COc1ccc(N2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)cc1F	753857114	KQAWBRYMKJIJAE-UHFFFAOYSA-N	402.857	3.860	10	20	HHCD	
O=C(Cc1cc(Cl)cc2c1OCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1	755580271	MYYZMNXPKHCMPT-IBGZPJMESA-N	401.890	3.731	10	20	HHCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1	756430785	LDOPDZPHQGTDTP-QZTJIDSGSA-N	402.560	3.972	10	20	HHCD	
C[C@@H](NCCOC[C@H]1CCOC1)c1cc(Br)cc(Br)c1O	756564190	RARFECGXBQFCAH-MNOVXSKESA-N	423.145	3.621	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](c1ccc(C)cc1)n1cncn1	756690947	KKZRWXYRXYCCAV-UNMCSNQZSA-N	424.524	3.659	10	20	HHCD	
Nc1cccc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)c1	758282154	AMVFVCAGSPIJRL-UHFFFAOYSA-N	414.468	3.554	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3CCO)c(C)n1-c1ccc(Cl)cc1	759704057	ZMEWWFQGNZUDFQ-HXUWFJFHSA-N	412.921	3.744	10	20	HHCD	
CC(C)Cn1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1-c1ccccc1	760147125	VFTDNWZTHRRUBR-UHFFFAOYSA-N	418.541	3.973	10	20	HHCD	
CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cc(Br)cc(Br)c1O	760890670	YBDVANWTONMSLY-CUOATXAZSA-N	423.145	3.762	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)ccc1OCCCC(=O)O	762000874	PPSOEVWLEOOTRI-UHFFFAOYSA-N	423.487	3.532	10	20	HHCD	
CO[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1Cl	763682455	LAXDCNOUKUKEKG-NRFANRHFSA-N	417.937	3.706	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)c2ccco2)CC1)c1ccc(N2CCOCC2)cc1Cl	764818473	LSUAFUVIXDQLEO-MRXNPFEDSA-N	417.937	3.725	10	20	HHCD	
CCC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc([N+](=O)[O-])c1	765256067	SJPBFJQRKXERMW-SIKLNZKXSA-N	410.518	3.928	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1	767220600	LNHLXDSTWJCFRO-UHFFFAOYSA-N	401.308	3.996	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cccc(OC(C)(C)C)n3)CC2)cc1	767263204	UEHLOMCLHPRNIL-UHFFFAOYSA-N	412.534	3.736	10	20	HHCD	
O=C(C=C1CCSCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	771610282	NVTKGHWXEDFVFB-UHFFFAOYSA-N	400.466	3.612	10	20	HHCD	
CSc1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccn1	772104765	AAQNKXHQTUUZGU-OAHLLOKOSA-N	422.501	3.873	10	20	HHCD	
C[C@@H](OC(=O)C1(F)CCCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	772793951	IWKXFILIGLTCBC-CYBMUJFWSA-N	409.413	3.615	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O	773741918	ZQGYQPPUUVXPTB-BXUZGUMPSA-N	423.296	3.505	10	20	HHCD	
CN1CCC2(CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)C1=O	773999425	LIBNNEOFHHTWDZ-UHFFFAOYSA-N	419.485	3.511	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)c1	774218949	LMCSWAFXPMLHNT-KZULUSFZSA-N	423.307	3.739	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1ccc(N(C)C)cc1	775776161	FRXCNFKTUIBVKK-MRXNPFEDSA-N	408.502	3.674	10	20	HHCD	
COCCNC(=O)[C@H](Cc1ccccc1)N[C@H](C)c1ccc(N2CCCCC2)cc1	777245486	NCZOVRBRMPZPNZ-YKSBVNFPSA-N	409.574	3.701	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(-c2ccccc2)no1	777829001	SNJUMTQHRSYVRA-UHFFFAOYSA-N	400.818	3.516	10	20	HHCD	
COCCO[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1	781963366	VWWASUIWLQRCFJ-IBGZPJMESA-N	422.472	3.616	10	20	HHCD	
CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1	782012447	DNIAFLJDOVSNLC-LRQRDZAKSA-N	408.970	3.968	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	782189611	UKAHEDLVZDDEGG-DUVDDBFMSA-N	403.525	3.628	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c1	787451903	ZZAAGRUEGQLOTD-UHFFFAOYSA-N	402.903	3.960	10	20	HHCD	
Brc1cncc([C@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)c1	790621993	HLQAOWPIWMDBBK-HXUWFJFHSA-N	402.336	3.922	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1F	793539747	HBKSVWBVFLIWBG-OAQYLSRUSA-N	415.484	3.695	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cscc3Br)cc2)C1	796275221	GOOSHBLGKUYLEX-CQSZACIVSA-N	408.365	3.502	10	20	HHCD	
Cc1ccc(N2CCOCC2)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	797689932	IMEUIAMWBYQROB-IBGZPJMESA-N	424.545	3.551	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)OCC(=O)N4C)cc2)CC1	799244328	OKBFXJQAYVYQKH-UHFFFAOYSA-N	408.502	3.600	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1nnc(-c2ccon2)s1	804356371	HAVSKCGBWPFWBU-UHFFFAOYSA-N	411.409	3.661	10	20	HHCD	
CSc1cccc(F)c1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	804968940	KOWBHKGVKGWSJT-UHFFFAOYSA-N	407.486	3.523	10	20	HHCD	
CC[C@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1	807165992	PTHAMZBBDDNCOJ-AZUAARDMSA-N	411.546	3.959	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1	807680626	UWBZXAGCZGUAMO-HSZRJFAPSA-N	417.509	3.740	10	20	HHCD	
CC[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc23)C[C@H](C)S1(=O)=O	808194978	RYIVQZPULSALMQ-WFASDCNBSA-N	412.349	3.705	10	20	HHCD	
O=C1CC(C(=O)NCc2ccc(N3CCSCC3)cc2)(c2cccc(Cl)c2)C1	810161766	SRKQNVOELRZHRZ-UHFFFAOYSA-N	414.958	3.810	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1	811823394	WFEDZEMTILTBKR-UHFFFAOYSA-N	406.485	3.536	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](CC(C)C)C(=O)Nc3nccs3)CC2)cc1	812842844	WGWGYBAWCCKFQE-LJQANCHMSA-N	402.564	3.764	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)c1	814276792	HXDFCWSYPHIXQJ-UYRXBGFRSA-N	412.536	3.938	10	20	HHCD	
CC(=O)Nc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)c1	913517338	OWUBSDIYMGRZOX-ZDLGFXPLSA-N	412.492	3.822	10	20	HHCD	
COC(=O)c1cn(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c2ccccc12	914440255	VCWJHMUCDMLYDE-UHFFFAOYSA-N	405.498	3.685	10	20	HHCD	
Cc1nc(COc2ccccc2C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1	914485484	WEIWZWLOXYHPSD-UHFFFAOYSA-N	406.486	3.828	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccc(Cl)cc2)on1	918138782	SYJNJRZILTWLOP-UHFFFAOYSA-N	415.852	3.901	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC3(N(C)C)CCCCC3)cc2F)C[C@H](C)O1	918174969	BXXYXVAFOQWHLF-ROUUACIJSA-N	420.573	3.503	10	20	HHCD	
O=C(NCCc1cccc2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1	918208199	MOQJSNZMZMYRDV-UHFFFAOYSA-N	407.489	3.857	10	20	HHCD	
CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918220645	HTECMBBVLSGMMN-UHFFFAOYSA-N	415.509	3.527	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3c3cccnc3)cc2F)C[C@@H](C)O1	918221032	NCNQSOJTEOQVIL-CBGDNZLLSA-N	412.509	3.881	10	20	HHCD	
Cc1nc(-c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)cs1	918305515	JOQXHWVEYOXKLN-UHFFFAOYSA-N	408.527	3.782	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(N2CCOCC2)cc1	920865450	CPGWWVJXPREMJP-LLVKDONJSA-N	421.371	3.931	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H]3c4ccccc4CC34CCOCC4)cc2F)CC1	1117641748	IYDMFFYHWOTQTP-XMMPIXPASA-N	409.549	3.761	10	20	HHCD	
C/C=C/C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1	1792301350	SLRLBPHTLGFHRA-MMVJQRGCSA-N	408.454	3.527	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)CC(F)(F)F)C2)cc1	1842805824	JMMQKDFFMTUNJB-UHFFFAOYSA-N	419.447	3.864	10	20	HHCD	
CC(C)OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	5835004	RXHNGFMVSRZKHY-KPKJPENVSA-N	400.319	3.602	10	20	HHCD	
CCCCCNC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	7896031	OFOZVULZJVIFEK-UHFFFAOYSA-N	413.857	3.579	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(-c4ccccc4F)n(C)c3=S)CC2)cc1	56552769	KLXXIBWOPJWLHU-UHFFFAOYSA-N	413.522	3.545	10	20	HHCD	
C[C@H](NC(=O)NCc1cc(-c2ccccc2)no1)c1ccc(N2CCOCC2)cc1	65434096	SRJGEPIPXXEKQC-KRWDZBQOSA-N	406.486	3.739	10	20	HHCD	
CCN(CC)c1ccc(CNc2ncnc3c2c(Br)nn3C)cc1F	301216208	ZCLVHOVYPJGGCG-UHFFFAOYSA-N	407.291	3.723	10	20	HHCD	
O=[N+]([O-])c1cncc(Br)c1NCc1ccc(N2CCC(CO)CC2)cc1	301857189	ZOPUCYYHFYTLJN-UHFFFAOYSA-N	421.295	3.573	10	20	HHCD	
COc1cc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)c([N+](=O)[O-])cc1OC	302067607	SXNTXNZDRLKFCU-UHFFFAOYSA-N	400.357	3.669	10	20	HHCD	
CC1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)CC1	302638043	KQHWXEMMVZJPPL-UHFFFAOYSA-N	403.504	3.847	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cncc(Br)c1	326521540	URHCCOAIXJLCHY-UHFFFAOYSA-N	424.364	3.655	10	20	HHCD	
O=C(Nc1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1)C1=S=CC=C1	440627350	TYYXWCGXSYZJLU-UHFFFAOYSA-N	418.434	3.611	10	20	HHCD	
CCOc1cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)ccc1O	445427035	NINSIRQZOAYDQL-UHFFFAOYSA-N	407.451	3.724	10	20	HHCD	
CN(C)c1ccc(-c2cncc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2)cc1	472029838	PBQMEILAKDCEGL-UHFFFAOYSA-N	402.498	3.920	10	20	HHCD	
CCc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccc(OC)cc1	475937801	ICOPCACTPYCOAM-UHFFFAOYSA-N	406.486	3.549	10	20	HHCD	
Cc1csc(-c2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)cc2)n1	726293384	ULILWXQWAVGXIO-UHFFFAOYSA-N	412.490	3.579	10	20	HHCD	
CCn1c(SCC(=O)NC2CCN(c3ccc(OC)cc3)CC2)nc2ccccc21	726562131	GQDYNJQAXOUVKP-UHFFFAOYSA-N	424.570	3.942	10	20	HHCD	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	727478229	OKNNPSAGTPBBSH-FQEVSTJZSA-N	424.589	3.878	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1	729066895	RDSQLBLGBBLWIP-VIFPVBQESA-N	416.783	3.889	10	20	HHCD	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731017071	UVRLYFQOCIFPLW-XMMPIXPASA-N	405.542	3.513	10	20	HHCD	
COc1ccc(CCN2C(=O)c3ccccc3N(C)[C@@H]2c2ccc(O)c(O)c2)cc1	731040484	VJLZOBDHUFLJDM-QHCPKHFHSA-N	404.466	3.940	10	20	HHCD	
COCCN(C(C)=O)c1nc(CN(C)Cc2ccc(N3CCCCC3)cc2)cs1	733841644	FUYYBQJSEJYVRR-UHFFFAOYSA-N	416.591	3.765	10	20	HHCD	
CCOc1cc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccc1OC	734011140	DQPZPCCZBSEKGO-UHFFFAOYSA-N	413.518	3.571	10	20	HHCD	
Cc1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C(C)C)n1	734101012	ZJKJWXUPXONLLW-UHFFFAOYSA-N	422.451	3.694	10	20	HHCD	
Cc1nc(C(C)(C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)sc1C	737038103	OMNAWFVOGNDSSP-OAHLLOKOSA-N	402.564	3.892	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1Br	740912911	IWEZAPLBTHYJMC-UHFFFAOYSA-N	416.319	3.833	10	20	HHCD	
Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	742798268	LFRZXFTVAKTQAR-SJORKVTESA-N	406.477	3.838	10	20	HHCD	
CC(=O)c1ccc(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742807210	XZNOUQSGMFUONF-SFHVURJKSA-N	402.441	3.818	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3ccc(SC(F)F)cc3)CC2)cc1	742921553	TUYUVBJILNJUKS-UHFFFAOYSA-N	421.513	3.562	10	20	HHCD	
CCc1nnc(-c2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)o1	747552879	FDVQFKGBXIFESF-UHFFFAOYSA-N	421.501	3.800	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)cc1	749400424	ZFUVECYLDKYZML-WOJBJXKFSA-N	408.590	3.725	10	20	HHCD	
Cc1cnc([C@H](C)N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1	749884564	ZDQSLZBIJWFMLR-KGLIPLIRSA-N	419.506	3.905	10	20	HHCD	
C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N(Cc1ccco1)Cc1ccccc1O	750444561	MHYZNNIAHKKMEC-MRXNPFEDSA-N	417.506	3.858	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3cc(Cl)c(OC)c(Cl)c3)CC2)cc1	750869566	AHYYDYNKZZSZTF-UHFFFAOYSA-N	424.328	3.771	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1nc(C2CCCCC2)no1	752915050	RQYCAYFLGWDBSH-MRXNPFEDSA-N	413.522	3.514	10	20	HHCD	
COc1cc(C)cc(CN2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)c1O	754738318	XJDXLRSWCJTEPZ-INIZCTEOSA-N	402.922	3.638	10	20	HHCD	
C[C@H](NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1O	756476936	TWFZWBJMHXTDDC-HNNXBMFYSA-N	405.901	3.574	10	20	HHCD	
COc1cc(C[C@@H](CO)CN[C@@H](C)c2cc(Br)ccc2O)cc(OC)c1	756638014	QGNXGZFCGREDBX-DZGCQCFKSA-N	424.335	3.674	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccccc1Br)c1cc(Cl)ccc1O	756761207	SBSLOEFHSFFAIH-WCQYABFASA-N	400.700	3.899	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccccc2C)cs1	757552784	YRXUDRJPRGDGMM-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CCc1cccc(NC(=S)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1	758918150	BRPDUEWZAWCRIR-UHFFFAOYSA-N	415.559	3.794	10	20	HHCD	
COc1cc(N2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cc(OC)c1OC	759886582	NAJTWZFNIKKTQV-HNNXBMFYSA-N	401.463	3.504	10	20	HHCD	
C[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc[nH]1	760731127	OABMWQTUXIJMID-YGRGUWMTSA-N	405.570	3.935	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC([C@@H](O)c4nccn4C)CC3)c2C)cc1	760878762	LLYBEXWZJDNWNQ-XMMPIXPASA-N	420.557	3.764	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCN(c2cccc(Cl)c2)C1	764791625	OSSJENNNJLQETE-AWEZNQCLSA-N	424.726	3.886	10	20	HHCD	
COCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	765036002	SRHCFSVMVCRWIF-OALUTQOASA-N	414.546	3.969	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3N(C)C(=O)C3CC3)c2)CC1	767882903	OORSFVUDLUVKDY-UHFFFAOYSA-N	420.557	3.842	10	20	HHCD	
O=C(NCCc1cn2c(n1)SCC2)N(Cc1ccccc1O)C1CCCCC1	768528989	ICJIVBAXWYEKKK-UHFFFAOYSA-N	400.548	3.781	10	20	HHCD	
CCCc1csc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1	768549668	ARDPVXAEWIYZIG-UHFFFAOYSA-N	423.541	3.916	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2C[C@H](C)[C@@H](O)C2)sc(C)c1-c1ccccc1	768771004	SEENDZAXOWUTKT-YOEHRIQHSA-N	416.543	3.541	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(c2ccccc2F)CC1	768915746	MQEDZTWAXYOJRK-KRWDZBQOSA-N	402.897	3.997	10	20	HHCD	
CCOc1ccc(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(O)c1	769206508	NZABLJHXRXDVHM-MRXNPFEDSA-N	401.482	3.964	10	20	HHCD	
CCCCn1nccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769741377	KVUNTSISUDOSMS-UHFFFAOYSA-N	420.516	3.503	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1	770616633	UXKGIOPRWPKCIN-UHFFFAOYSA-N	410.514	3.751	10	20	HHCD	
C[C@@H](C(=O)N1CCCCC1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	772755441	PZBDNYYMPYVEDS-KRWDZBQOSA-N	401.551	3.865	10	20	HHCD	
CN(Cc1ccccc1)C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	774328181	YHTWZDISWNLCCQ-UHFFFAOYSA-N	405.498	3.533	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1O	774907907	IUIBWDPKUBSQRY-AWEZNQCLSA-N	405.882	3.841	10	20	HHCD	
COc1ccc(Br)c(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2O)c1	775118898	RGNNBKDAZOFXLV-UHFFFAOYSA-N	411.252	3.712	10	20	HHCD	
C[C@@H](CCCOc1ccccc1C(N)=O)NCc1cccc(Br)c1O	775151016	DHCORKMPXCAGGH-ZDUSSCGKSA-N	407.308	3.591	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	775253754	DOZFWCXKCDEXMQ-HNNXBMFYSA-N	423.435	3.711	10	20	HHCD	
CC[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(Cl)c(Cl)c1O	775546032	QYBPQILZKDJIOH-HNNXBMFYSA-N	410.301	3.867	10	20	HHCD	
Cc1cccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1O	776248260	KQAXIWWTXBVJRK-UHFFFAOYSA-N	400.475	3.930	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc2C)cc1	777308081	AQYQKDORSLPQGE-UHFFFAOYSA-N	406.555	3.972	10	20	HHCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Br	782462397	ILNXGQUBGMGGLH-UHFFFAOYSA-N	420.668	3.616	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1sc(-c2ccccc2)nc1C	784713331	WWTGTLSIMGUJMQ-UHFFFAOYSA-N	408.527	3.748	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CN(C)C(=O)c3ccccc32)c(C)n1-c1ccccc1	787100799	OZRDVQWLNIHGLA-JOCHJYFZSA-N	416.477	3.689	10	20	HHCD	
COc1ccc(F)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1OC	788226506	WTYAUQNBFKCUTO-CYBMUJFWSA-N	424.419	3.843	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1C(=O)O	790400073	SOSDMAXRKAVSSV-UHFFFAOYSA-N	413.879	3.985	10	20	HHCD	
Cc1cc(C(=O)CN2CCSC[C@H]2c2cnn(C)c2)c(C)n1-c1cccc(F)c1	792418665	MXVKVTKGCCGPHG-NRFANRHFSA-N	412.534	3.940	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)c(O)c1	797390797	SDXKZIBKZCBJKH-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c(=O)n(C)c1	800548238	JPECZYLBPYKIRE-AWEZNQCLSA-N	402.926	3.905	10	20	HHCD	
CCCC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccc(OC)cc1	804593789	UUXLXMMXIBXTHM-JOCHJYFZSA-N	411.546	3.734	10	20	HHCD	
Cc1cccc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1	805023815	LVFNGIYVGAVOQN-QHCPKHFHSA-N	420.557	3.606	10	20	HHCD	
COc1ccc2c(c1)nc(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)n2C	805304832	UMBGVHLGPCEREX-UHFFFAOYSA-N	409.273	3.594	10	20	HHCD	
O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc(Cl)c(Cl)c1	807386762	IDMFBFLUEXFWKM-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
Oc1ccccc1CN(Cc1cn2ccc(Br)cc2n1)C[C@H]1CCCO1	811454096	VYRUWVMWHRBLNC-GOSISDBHSA-N	416.319	3.984	10	20	HHCD	
C[C@@H](Nc1cc(C2CC2)n(C)n1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	811803167	ORTVBLLYUMIIHN-CYBMUJFWSA-N	414.465	3.512	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC3CCN(CCC(F)(F)F)CC3)cc2F)C[C@@H](C)O1	812824755	JYRYWKIBAHCBQU-HZPDHXFCSA-N	417.491	3.946	10	20	HHCD	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCc1cc(Br)ccc1O	813788317	FFTDEEJEYXNXFT-KBPBESRZSA-N	403.292	3.592	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(Cn3cncn3)cc2)c(C)n1-c1ccc(F)cc1	814259432	NSTFILAHKWOMHF-UHFFFAOYSA-N	403.461	3.803	10	20	HHCD	
CC(C)c1cc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n2ncnc2n1	917083793	GWDOFLOEBCYUJE-UHFFFAOYSA-N	420.439	3.715	10	20	HHCD	
CCN(CC)C(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	918657504	DRRKZPGEZZHXEQ-UHFFFAOYSA-N	402.583	3.663	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1	918780847	WRSLVSUVTHZFDN-UHFFFAOYSA-N	409.456	3.858	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2cccc(N3CCOC3=O)c2)C2CC2)cc1	919656921	IJIAVKJHBNMHFC-UHFFFAOYSA-N	408.502	3.583	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(-c4ccccc4Cl)n3C)CC2)cc1F	1321716299	AUSKKWKQCJLSHO-UHFFFAOYSA-N	401.873	3.610	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1	12111168	WSDSSGIMQVTCMH-UHFFFAOYSA-N	409.511	3.886	10	20	HHCD	
C[C@@H](NC(=O)COc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	145663079	QTUBTYUXCCPFHP-OAHLLOKOSA-N	408.420	3.798	10	20	HHCD	
CC(C)(C)c1cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cc(C(C)(C)C)c1O	727176694	YAISSWFFCUGVQV-ZROIWOOFSA-N	406.573	3.674	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCCc3nnc4n3CCCCC4)c2C)cc1	727493500	KBOOPTWORFQJNK-UHFFFAOYSA-N	421.545	3.783	10	20	HHCD	
COC(=O)Nc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1F	727594008	LMINDKKKBPNFMA-UHFFFAOYSA-N	418.494	3.879	10	20	HHCD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	727739721	UOGSGMKOJMLCAF-HSZRJFAPSA-N	419.566	3.864	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CSc2ncnc3sc(C)c(C)c23)c1	728981158	USTORWBWXCYNAU-NSHDSACASA-N	403.529	3.992	10	20	HHCD	
CCNC(=O)COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	729631199	KYJWWKZTFLAARI-UHFFFAOYSA-N	412.534	3.710	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	731038851	NVTBRXPQMGSZMA-UHFFFAOYSA-N	403.504	3.618	10	20	HHCD	
COCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1	731989495	GUFDYLCWTLPPSH-UHFFFAOYSA-N	410.436	3.983	10	20	HHCD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	733115068	SUOXKPMOQBBGMT-VBHSOAQHSA-N	406.438	3.925	10	20	HHCD	
C[C@H]1c2c(F)cccc2CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	738459342	JCLWJMFZNCTZGD-HNNXBMFYSA-N	401.457	3.630	10	20	HHCD	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1	741136367	UFOBVKXVRSAAIV-UHFFFAOYSA-N	402.516	3.963	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	742632796	RPRMHIZUYSDBPO-UHFFFAOYSA-N	405.520	3.823	10	20	HHCD	
CC1CCC(N2C[C@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)CC1	743432913	VRGCTGFDRGAPKB-SKINQDTJSA-N	410.514	3.941	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)C[C@@H]3c3cccc(F)c3)CC2)cc1	743854824	OAANTFPCSMLJHS-FDDCHVKYSA-N	411.521	3.566	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCN1Cc2ccccc2C1	745785441	LKULAQCIADKLCE-UHFFFAOYSA-N	418.335	3.702	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(-c4ccccn4)no3)ccc21	746071782	LQRIVXZWZMHLLF-UHFFFAOYSA-N	406.442	3.707	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCN(C4CCCCC4)C3)cc2F)C[C@@H](C)O1	748845932	MKEKJAAKSGCQKW-WSTZPKSXSA-N	417.569	3.710	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCO[C@@H]4C[C@H](N(C)C)CC[C@@H]43)c2C)cc1	749547619	ZAQYSMCYVPAJDC-NMVJMZGASA-N	409.574	3.769	10	20	HHCD	
CN(Cc1ccccc1O)S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1	751235295	GLTPGPRDKSXMMF-UHFFFAOYSA-N	421.412	3.630	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(N(C)C)cc3F)cc2F)C[C@@H](C)O1	751644098	BSHBHLHAWPCTDN-GASCZTMLSA-N	403.473	3.574	10	20	HHCD	
C[C@@H](NCc1ccccc1Cn1cncn1)c1cc(Br)c(F)cc1O	756393653	PBOPXOPNHPKABZ-GFCCVEGCSA-N	405.271	3.784	10	20	HHCD	
CCOc1cc(Cl)ccc1NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1	759497560	NBPQPSIMWHMIAU-UHFFFAOYSA-N	403.910	3.792	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)c1ccccc1	759588889	PCXOKCDIADNPKN-KXXOPMGUSA-N	417.461	3.754	10	20	HHCD	
Cc1c(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)oc2ccc(F)cc12	760522092	ZZAGJKHPCSRMHU-UHFFFAOYSA-N	418.490	3.538	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCN(CC(F)(F)F)[C@H](C)C3)cc2)CC1	762574327	SHUREQQKUPNQJQ-QGZVFWFLSA-N	412.500	3.701	10	20	HHCD	
Cc1cc(C(=O)Cn2ncc3c2C[C@@H](O)CC3)c(C)n1-c1ccc(OC(F)F)cc1	763206712	VLBVEWNPUFLNHK-KRWDZBQOSA-N	415.440	3.625	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1	763583097	ORTIVOHGJJVFNO-CHWSQXEVSA-N	407.873	3.832	10	20	HHCD	
Cc1cn2ccnc(C(=O)OCC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)c2n1	763603062	CPAXPWHYIHCDGL-UHFFFAOYSA-N	406.417	3.624	10	20	HHCD	
Cc1c(NC(=O)NCc2cccc(Br)c2O)cccc1N1CCOC1=O	765298376	NZFUBNFVTCSBNH-UHFFFAOYSA-N	420.263	3.741	10	20	HHCD	
Cc1nc2cc(F)cc(C(=O)NCc3cccc(Br)c3O)c2nc1C	765730443	BDPSTWKHBPYOAQ-UHFFFAOYSA-N	404.239	3.784	10	20	HHCD	
C[C@@H](NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1	765851098	NKKYWPPXTUZCEA-MOPGFXCFSA-N	403.567	3.821	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCOC4(CCCC4)C3)cc2F)C[C@@H](C)O1	768523436	URPWKKHZMXMMBA-LMMKCTJWSA-N	419.541	3.730	10	20	HHCD	
Brc1cccc([C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)c1	769153728	OVUAZCRHFACIDW-NRFANRHFSA-N	417.347	3.859	10	20	HHCD	
O=C(Nc1ccc(O)cc1)C1CCN(Cc2cc(Br)ccc2O)CC1	769234011	WVEIUOQZFUMMNG-UHFFFAOYSA-N	405.292	3.711	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1coc(C2CCOCC2)n1	769711377	PIHDDOIKHIUGSH-UHFFFAOYSA-N	409.280	3.699	10	20	HHCD	
COC(=O)c1ccnc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	770679385	ACAGTKPCJMTHTR-UHFFFAOYSA-N	408.458	3.762	10	20	HHCD	
O=C(CNc1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCOCC2)c(F)c1	772901681	KMYFEHABMOFFOS-UHFFFAOYSA-N	412.292	3.697	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(N(C)C)cc1	773299311	RGKXMPINTURAIX-WBVHZDCISA-N	418.488	3.993	10	20	HHCD	
CSc1nc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2s1	773856633	JUNUCKOSGTUVSE-GFCCVEGCSA-N	414.556	3.900	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776238207	LVDPURYYCDEANV-LPHOPBHVSA-N	404.555	3.855	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	777543566	FBPNUQCZDXNVOG-OAQYLSRUSA-N	417.912	3.553	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccncn2)c(C)n1-c1cccc(C(F)(F)F)c1	778454479	KSZLRDFFQKNCHK-UHFFFAOYSA-N	403.360	3.943	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCn3ccnc3C2)c(C)n1-c1ccc(Br)cc1	779095200	HKUVLOQPWBVHDX-MRXNPFEDSA-N	413.319	3.798	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	780609487	UFJOFAIMVMKGAM-SOUVJXGZSA-N	417.481	3.603	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)cc1	782672963	RSVYCSZKBMLTBB-UHFFFAOYSA-N	409.530	3.893	10	20	HHCD	
CC(C)c1nc2ccc(NC(=O)C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2s1	785297186	MLHDPLATPDUHQR-LBPRGKRZSA-N	413.499	3.517	10	20	HHCD	
COc1ccc([C@@H](CN[C@@H](C)c2c(C)cc(C)cc2O)N2CCOCC2)cc1OC	788501662	GMKJIUOXCMHCJU-AZUAARDMSA-N	414.546	3.750	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1	788543891	ZTEHPHKGRRRHKJ-CYBMUJFWSA-N	424.423	3.883	10	20	HHCD	
CCC(CC)(CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1	788934284	VOZNJUACDJQBQZ-UHFFFAOYSA-N	407.558	3.777	10	20	HHCD	
COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	789063462	SZVIBWWJAFPROZ-INIZCTEOSA-N	415.509	3.515	10	20	HHCD	
CCCCOc1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(O)c1	789805729	IMLZHSAIZXKSDP-UHFFFAOYSA-N	402.466	3.681	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ncc(Br)s2)cc1	789964303	WQTLWSFJBIMYHK-OAHLLOKOSA-N	424.364	3.793	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1	792836246	VOHKTTGWTQOYCP-UYAOXDASSA-N	415.484	3.937	10	20	HHCD	
C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1O	798181534	WIUNSKMSHOGOMN-LBPRGKRZSA-N	402.438	3.512	10	20	HHCD	
CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1	801938139	CUDSXXCCJMBZHD-UHFFFAOYSA-N	413.472	3.502	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	803659888	WGDRHGXCKZBELC-CABCVRRESA-N	419.928	3.812	10	20	HHCD	
CC[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)cc(Cl)c1O	806148149	CVHIMXBXWWQSDK-SMDDNHRTSA-N	424.371	3.636	10	20	HHCD	
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806685568	UYQGLJIBKYTHKD-LPHOPBHVSA-N	422.520	3.525	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1	807095401	OVPAZRJGUKCRDO-UHFFFAOYSA-N	415.537	3.906	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1	807097551	YWRUCBUOSFWIBI-SJORKVTESA-N	415.965	3.981	10	20	HHCD	
Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807511611	QRWMHDDFLJMUBO-UHFFFAOYSA-N	422.190	3.676	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c1O	809789599	QCFUGOFDYBIUDU-SHTZXODSSA-N	423.510	3.730	10	20	HHCD	
CC[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(C(F)(F)F)cc1O	810210444	UXDKRJFTCVCQRY-MRXNPFEDSA-N	416.465	3.902	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)CC1	811156140	IFGGFATZPVMYTN-ABVMBDCKSA-N	405.491	3.985	10	20	HHCD	
C[C@@H](NC[C@@H]1CCN(c2ccccc2F)C1)c1ccc(N2CCOCC2)c(F)c1	812735714	FOLOQDIFAXUCDX-MSOLQXFVSA-N	401.501	3.979	10	20	HHCD	
CCCCOc1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)cc1	814285870	QOMLGXXHTSWPLJ-MNDPQUGUSA-N	420.600	3.789	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c(c1)CCCC2=O	814380128	UKTMSYJWGZCURX-UHFFFAOYSA-N	400.544	3.871	10	20	HHCD	
O=C(C[C@@H](c1ccccc1)c1ncc[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1	816922077	QEFYCULMZOXKLT-SFTDATJTSA-N	405.498	3.845	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nnc(-c2ccccc2)s1	915319960	BRPIRSZWEOXAJA-UHFFFAOYSA-N	409.515	3.706	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)C2)nc1	918131121	FYIVYNQXXHBMAD-LJQANCHMSA-N	417.513	3.683	10	20	HHCD	
CC(C)(C)c1ncc(/C=C/C(=O)N2CCCc3c2cccc3S(C)(=O)=O)s1	1120245831	LINMWPKADOCONZ-ZHACJKMWSA-N	404.557	3.837	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(C4CC4)nc4onc(C)c34)CC2)cc1	1319380458	KLEXKYQZHSLXFW-UHFFFAOYSA-N	406.486	3.770	10	20	HHCD	
C[C@H](NCc1ccccc1N1CCN(C)CC1)c1cc(Br)c(F)cc1O	1323828525	CDCBHWCQMVHWPK-AWEZNQCLSA-N	422.342	3.896	10	20	HHCD	
Cn1nc2ccccc2c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1324174351	LHVMOJCKXZASEE-CQSZACIVSA-N	400.429	3.574	10	20	HHCD	
C[C@@H]1CCC[C@@H]1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788427395	XCEISYNJXQPZAH-KDOFPFPSSA-N	409.486	3.677	10	20	HHCD	
CCCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nnc1-c1ccncc1	7094988	VMWOMWMMBVPWRT-UHFFFAOYSA-N	424.574	3.567	10	20	HHCD	
CC[C@H]1CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[C@@H](CC)CN1C(C)=O	471436483	NMHRLWZAWCKLEJ-SFTDATJTSA-N	413.562	3.766	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(N3CCCC3)nc2)cc1	727105010	ZASOEDMJIAUIPH-QFIPXVFZSA-N	408.546	3.569	10	20	HHCD	
COc1ccc(N2CCC(NC(=S)Nc3ccc4c(c3)OCCCO4)CC2)cc1	727281310	DKNIPHABPQXHRE-UHFFFAOYSA-N	413.543	3.812	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1	727391116	KPDVUQUBZOFHPK-UHFFFAOYSA-N	416.525	3.832	10	20	HHCD	
CCCN1Cc2cccc(NC(=O)C(=O)NCc3ccc(N(CC)CC)cc3)c2C1	727613901	BJAVFODQAUMJQG-UHFFFAOYSA-N	408.546	3.513	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)NCc3ccccc3)ccc21	728639780	UEMZMHBPIUPUJU-GOSISDBHSA-N	408.498	3.766	10	20	HHCD	
CN(CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)N(C)Cc1ccc(N(C)C)cc1	728927088	XAPXYYNRKITVHS-UHFFFAOYSA-N	419.573	3.666	10	20	HHCD	
COc1cccc(CNC(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)c1O	730282687	PBNMHEOJFQBUSM-UHFFFAOYSA-N	407.514	3.820	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnn(-c3cccc(Br)c3)c2)c1	730285051	GNJZMUVUQPFCSL-LBPRGKRZSA-N	416.275	3.840	10	20	HHCD	
COCCN(CCOc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)cc1	731219964	PCMBDYYCYHFDAO-UHFFFAOYSA-N	415.509	3.663	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1cccc(N2CCCC2=O)c1	731844056	IBQFPEYCUARIER-UHFFFAOYSA-N	419.481	3.753	10	20	HHCD	
Cc1ccc(N=Nc2cc(C)ccc2NC(=O)Cn2ncn3nccc3c2=O)cc1	732727103	YTKZLLOWCWTVGX-UHFFFAOYSA-N	401.430	3.562	10	20	HHCD	
O=C(NCCCSc1nccs1)C1CCN(C(=O)CCc2ccccc2)CC1	733972542	IIQONKCYFWKPGG-UHFFFAOYSA-N	417.600	3.613	10	20	HHCD	
O=C(Nc1nc2c(s1)COCC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	735578233	XBXGTVSLGZLNPV-UHFFFAOYSA-N	424.473	3.608	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Br)c(F)c1	742276283	BUTHJUOXJJVHBK-UHFFFAOYSA-N	413.312	3.667	10	20	HHCD	
COc1ccc(N2CCN(CCNCc3ccccc3OC(F)(F)F)CC2)cc1	742700624	VUOCOMMUFYXRIT-UHFFFAOYSA-N	409.452	3.506	10	20	HHCD	
CC(C)c1ccc(N2CC[C@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C2=O)cc1	742951978	DXJWJYWBFZHJGL-FQEVSTJZSA-N	407.514	3.655	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(-c2ccccn2)c1	743186733	XCXFOLPCTHYTGG-UHFFFAOYSA-N	416.279	3.789	10	20	HHCD	
C[C@H](OC(=O)CCC(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	745521802	NBJDHRIIPISMEO-NSHDSACASA-N	419.355	3.675	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(=O)Nc1ccc(Cl)cc1	745738103	SZAGTNLNHALFOA-UHFFFAOYSA-N	402.926	3.965	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3cnn(C)c3)CC2)c(C)n1-c1cccc(C(C)C)c1	746350967	WFAFMBNRWPTLQI-UHFFFAOYSA-N	405.546	3.913	10	20	HHCD	
CNC(=O)[C@H](C)CN(C)[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	747967800	YRZNRZKVQHBFDX-CJNGLKHVSA-N	421.488	3.581	10	20	HHCD	
CCCNC(=O)[C@@H]1CCCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	747979591	ISWUCPUCJZQZJO-OAQYLSRUSA-N	410.562	3.584	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Br)ccc1F	748809561	ZEBAZKPPKCOMJA-UHFFFAOYSA-N	415.328	3.865	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)CCC2)C(=O)N(Cc1ccco1)Cc1ccccc1O	750254467	VUANJHDDQVBOIE-UHFFFAOYSA-N	418.449	3.672	10	20	HHCD	
Cc1cnc([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)s1	751071147	SYAYEKARYCYAGS-LLVKDONJSA-N	423.541	3.510	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](C)c3cc(F)ccc3OC)CC2)cc1F	753843594	WVDLSCNOQZHKTO-CQSZACIVSA-N	405.445	3.575	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)ccc21	754538689	WWUFWISFTVKYFZ-OAHLLOKOSA-N	416.477	3.582	10	20	HHCD	
COc1cc(OC)cc([C@@H](N[C@@H](C)c2cc(F)cc(F)c2O)c2nccn2C)c1	756389811	DYLXXYCYTVCADS-HXPMCKFVSA-N	403.429	3.861	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1	756433510	PAURIZRAGZBPDT-CQSZACIVSA-N	404.457	3.772	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc(F)cc1)c1cc(Br)c(F)cc1O	756453279	DMUSQTYSAFKQBK-JQWIXIFHSA-N	402.235	3.523	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@H](C)c2ccc(F)cc2O)s1	756534445	KVDHITZHRMDCHO-CYBMUJFWSA-N	400.541	3.517	10	20	HHCD	
C[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc(Br)cc(Cl)c1O	756738705	KMALZHNCBJVEKC-WCQGTBRESA-N	410.761	3.815	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1	757556839	PYKCQQYKDKZWKP-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc(Br)cc1O	757636234	DPFKMJPPUXQURF-RDTXWAMCSA-N	405.336	3.572	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)ccc1[N+](=O)[O-]	759150578	ZEMKSTYVMDBXMQ-UHFFFAOYSA-N	405.476	3.785	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	759571328	WXPBSFZKKADPDO-KRWDZBQOSA-N	405.545	3.847	10	20	HHCD	
C[C@H]1C[C@H](C)CN(CCCCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761050946	LTVMIPXEZQGCLY-HOTGVXAUSA-N	407.942	3.568	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	764322077	IBTOFCYAFCZRTJ-CVEARBPZSA-N	406.523	3.690	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)c2C)cc1	764464018	AILJLVSFOWYRCK-NLFFAJNJSA-N	422.617	3.543	10	20	HHCD	
O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1cccc(Br)c1O	765765224	QAWFOFSVBCAJKN-MRXNPFEDSA-N	417.225	3.664	10	20	HHCD	
COc1cc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	766936324	ZDSQETHJYRENEP-CQSZACIVSA-N	409.483	3.695	10	20	HHCD	
COc1ccc(Br)c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1	768207383	HESFCNLSOKMHSS-UHFFFAOYSA-N	405.336	3.926	10	20	HHCD	
COc1cc(Br)cc(CN2CCN(CCc3cccs3)CC2)c1O	768357066	HBMCLFLJBQNVSS-UHFFFAOYSA-N	411.365	3.585	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1Br	769255940	ZUUZZPAFNKUOIH-UHFFFAOYSA-N	417.303	3.597	10	20	HHCD	
CCOc1cccc(CN2CCN(Cc3csc([C@@H](C)OCC)n3)CC2)c1O	769502813	RUOYWDAUJMZWLQ-MRXNPFEDSA-N	405.564	3.663	10	20	HHCD	
COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccccc2O)c([N+](=O)[O-])c1	774523074	DSLSDVUYYSXCNX-UHFFFAOYSA-N	406.394	3.930	10	20	HHCD	
COc1cc(O)c(CN[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1OC	776175699	WPOWHMYHGPXHOF-KRWDZBQOSA-N	410.436	3.792	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1SCCc2sccc21	777828288	MEVJRSDEZHAUGL-QGZVFWFLSA-N	411.932	3.639	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1	777962326	DBNYOQMDFVUWFT-UHFFFAOYSA-N	404.488	3.704	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(Cn2cncn2)CC1	778844855	SSOHRRHSDBSMCJ-UHFFFAOYSA-N	417.473	3.571	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)Cc1ccsc1	779529696	OZFNQLCYJCNINN-MRXNPFEDSA-N	405.539	3.887	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3c(O)cc(Cl)cc3Cl)c2)CC1	781270868	QGAZURTUQDKUSY-UHFFFAOYSA-N	408.285	3.620	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CCO)c1ccccc1Br	781939065	GZLMUKPPNOITKI-LJQANCHMSA-N	420.351	3.746	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C4CCOCC4)C[C@@H]3C)c2C)cc1	785982014	ISJXVIDVSNSRJX-FQEVSTJZSA-N	409.574	3.770	10	20	HHCD	
Cc1ccnc(-n2nc(C)cc2NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	786092938	PMMHTYQLMJYWHO-GOSISDBHSA-N	420.517	3.603	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccco1)Cc1cccs1	788938156	PZBNPFUAUIPNPR-UHFFFAOYSA-N	423.538	3.787	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCC(=O)Nc1cccnc1	790121894	YWKJHPFPVRSSCR-UHFFFAOYSA-N	410.499	3.857	10	20	HHCD	
CN(CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(=O)OCc1ccccc1	792989165	ZPBOGRVLROMMBQ-UHFFFAOYSA-N	409.530	3.902	10	20	HHCD	
C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3cc(Cl)cc(F)c3O)cc2)C1=O	793604646	AAPUJSRJKRZEBI-OAQYLSRUSA-N	417.868	3.699	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@H](C)c3ccc(F)cc3)cc2)CC1	793937983	MKLFZXXSZSVGQA-SFHVURJKSA-N	411.521	3.598	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(Cn4cccn4)on3)cc2Cl)C1	794477240	FSJLGCMJERVRGW-HNNXBMFYSA-N	413.909	3.739	10	20	HHCD	
CC[C@@H](NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccc(C)cc1O	794803125	PRHNRANTLHCWNG-PZJWPPBQSA-N	412.530	3.616	10	20	HHCD	
CO[C@]1(C)CCCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	796500259	KCEVESUJZXCIGO-PUAOIOHZSA-N	420.509	3.680	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c(O)c1	797617289	UHJPOWKLDIGSPY-UHFFFAOYSA-N	405.882	3.762	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N(CCC(C)C)CCC(C)C)CC2)cc1	804320212	YEPCIGDBDUDVQN-UHFFFAOYSA-N	417.594	3.701	10	20	HHCD	
COc1ccc2oc([C@@H](C)NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c(C)c2c1	804757672	CCNUAVUSHSTRQR-MRXNPFEDSA-N	423.513	3.652	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)c1ccc(N(C)C)cc1	807672542	DACBIUVXHPITHE-CYBMUJFWSA-N	408.329	3.895	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc3nccnc3c2Br)c1O	809705753	YTMJXVITQOTJHN-UHFFFAOYSA-N	405.208	3.627	10	20	HHCD	
CC[C@](C)(OC)c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1	810332862	GNEZBRXUXQUCLD-KRWDZBQOSA-N	409.489	3.576	10	20	HHCD	
Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	812915742	KFEFXCUUYNVGJA-UHFFFAOYSA-N	413.355	3.624	10	20	HHCD	
Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cc(Cl)c(F)cc2O)CC1	816482920	YKADVXQKBCJTEL-UHFFFAOYSA-N	405.901	3.558	10	20	HHCD	
C[C@@H](CCc1ccco1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	843317944	DAIHGOSNSGVKSG-ZDUSSCGKSA-N	418.405	3.714	10	20	HHCD	
Cc1cc(CCNC(=O)CSc2nnnn2C2CCCC2)c(C)n1-c1ccccc1	910428490	YBYHQOKZFMLODT-UHFFFAOYSA-N	424.574	3.647	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CNC(C)(C)CC(C)(C)C)cc2F)C[C@@H](C)O1	917147185	AYXGTJGUKZBFKW-CALCHBBNSA-N	407.574	3.860	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccnc2OCC(F)(F)F)cc1	918204594	MFDMFQCSKITWQK-UHFFFAOYSA-N	410.440	3.868	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1	918444006	ILDVKTRKPFJMKY-UHFFFAOYSA-N	401.894	3.633	10	20	HHCD	
C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(OC(F)(F)F)cc1	920637460	GRSQPUDJHHJMMD-SNVBAGLBSA-N	419.377	3.580	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1	920924500	COBRPNFADXHZGP-ZDUSSCGKSA-N	422.312	3.646	10	20	HHCD	
COc1cc(Br)c(OC)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1	1116158285	ZKUHNGUOCPXIQW-UHFFFAOYSA-N	421.291	3.572	10	20	HHCD	
C[C@H](NC(=O)NCc1ccccc1OC(F)F)c1ccc(N2CCOCC2)cc1	141030426	XPMXPLCEYXMWFR-HNNXBMFYSA-N	405.445	3.685	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3noc(-c4cccs4)n3)ccc21	556673837	NBNRFYARGPOKLL-UHFFFAOYSA-N	410.499	3.946	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)CC2)cc1	726710102	SBWHGAQRCGUETJ-GOTSBHOMSA-N	409.530	3.837	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3ccc(OC(F)(F)F)cc3)CC2)cc1	727295512	PCNUJDVPECOBPL-UHFFFAOYSA-N	408.420	3.875	10	20	HHCD	
CSCCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC1=S	727490040	DUUGWXNSKFCKQD-VBKFSLOCSA-N	412.577	3.617	10	20	HHCD	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	727847774	UHIGNDQKTBZMCP-JAXLGGSGSA-N	414.594	3.792	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N3C[C@@H](C)C[C@H](C)C3)ccc21	728637459	LWDWFNWPQANXQC-HOTGVXAUSA-N	400.519	3.566	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccnc(OCc3ccccc3)c2)c1	728949917	WFVXAQGSKDIVKG-MRXNPFEDSA-N	407.470	3.935	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1F	731364198	HXGXHAZKJLWHSY-KRWDZBQOSA-N	401.482	3.653	10	20	HHCD	
CN(CCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)CC(F)(F)F	732699621	BWBPSGYAZFQLGC-UHFFFAOYSA-N	400.489	3.749	10	20	HHCD	
Cc1cc(C(=O)Cn2cnnc2[S@](C)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	732717293	FCPDYOUABYGKMW-SANMLTNESA-N	411.314	3.613	10	20	HHCD	
Cc1cc(C(=O)NCCNC(=O)c2c(F)cccc2F)c(C)n1-c1ccc(F)cc1	732967312	OBRJNKCNYYCGIT-UHFFFAOYSA-N	415.415	3.671	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1	741713716	GYEGTWKPTSFYSF-UHFFFAOYSA-N	411.502	3.779	10	20	HHCD	
Cc1nc(-c2ccccc2)oc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	741742625	XPROGTCJWNLQSS-UHFFFAOYSA-N	409.461	3.680	10	20	HHCD	
COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)c(Cl)c1Cl	742285073	LASWRUOUTHHZJW-UHFFFAOYSA-N	415.342	3.863	10	20	HHCD	
Cc1nc(C)c(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	743654844	MIUQWNLIETVMCS-CQSZACIVSA-N	410.490	3.830	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1I	743715729	DHRXHDMIXNZTLA-UHFFFAOYSA-N	407.251	3.806	10	20	HHCD	
COc1ccc(N(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)CC(C)C)cc1	746170754	CDONPWTXKNQVEC-UHFFFAOYSA-N	417.937	3.874	10	20	HHCD	
CN(C)S(=O)(=O)c1cccc(NC(=S)NNc2cc(Cl)ccc2Cl)c1	751899117	ZGHYAMSPPIPJPI-UHFFFAOYSA-N	419.359	3.557	10	20	HHCD	
COC(=O)c1oc([C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1C	751946005	VCWDJEODJYSXAD-LBPRGKRZSA-N	400.456	3.922	10	20	HHCD	
COc1ccc(C(=O)N2CCC(N[C@@H](C)c3cc(F)ccc3O)CC2)cc1OC	756734704	ZRIMZQSZXGMEGC-AWEZNQCLSA-N	402.466	3.504	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)c1	757730529	UJNROMGNFWPNPT-LPHOPBHVSA-N	414.502	3.827	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COc3ccccc3CC(N)=O)c2C)cc1	758426623	RQTJUIUWVJMFHV-UHFFFAOYSA-N	406.482	3.782	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCCSCc3ccnc(Cl)c3)ccc21	758429490	HMYANMDYPCHELB-UHFFFAOYSA-N	404.967	3.850	10	20	HHCD	
COc1ccc(C2(CNC(=O)NCCCSc3nccs3)CCOCC2)cc1	759568509	GLUBKCDCNUWOIB-UHFFFAOYSA-N	421.588	3.682	10	20	HHCD	
COc1cc(N2CCN([C@@H](C)c3ncc(C(C)(C)C)o3)CC2)cc(OC)c1OC	759887085	TVUXJIHEHPMZGG-HNNXBMFYSA-N	403.523	3.881	10	20	HHCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](c2ccc(Br)cc2)C1=O	761580401	SVGNFWJQCUSFSX-YVEFUNNKSA-N	402.292	3.869	10	20	HHCD	
CC(C)c1nc([C@@H](C)NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n[nH]1	763035940	WEPGIJLFVJRLQC-KGLIPLIRSA-N	422.480	3.559	10	20	HHCD	
CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C12CCC2	764353111	KYTKDYYKDDULEW-NHCUHLMSSA-N	401.551	3.653	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](c1cccc(F)c1)c1ccccn1	765666450	XYUILUJJKOYMJW-QHCPKHFHSA-N	420.488	3.646	10	20	HHCD	
COc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(N3CCOCC3)cc1Cl)C2	765707988	SFMKRNTULONVGQ-WBVHZDCISA-N	402.922	3.840	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1F	766242954	TUNUQCMZGBDHPW-UHFFFAOYSA-N	402.426	3.713	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1	766362964	UCHIOEUMVMTSCT-MORSLUCNSA-N	404.432	3.921	10	20	HHCD	
C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1	766362967	UCHIOEUMVMTSCT-VHSSKADRSA-N	404.432	3.921	10	20	HHCD	
CCN(CC)[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1	767780671	YYDHEHMMKAGSDX-IBGZPJMESA-N	410.436	3.858	10	20	HHCD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1cc(Br)ccc1O	769291921	PBMONFFSQNXJJG-AWEZNQCLSA-N	415.328	3.807	10	20	HHCD	
COCCN(Cc1ccc2c(c1)OCO2)Cc1cc(Br)cc(OC)c1O	769399433	KCROEDLOJODYIZ-UHFFFAOYSA-N	424.291	3.541	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)/C(=C\c1ccco1)NC(=O)c1ccccc1	769563466	HLPMWXUEXKUBNM-PXLXIMEGSA-N	416.477	3.951	10	20	HHCD	
COCCOc1ccc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(Cl)c1	769915605	AKQCGHCQIIETHS-UHFFFAOYSA-N	418.921	3.773	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)c2)CC1	770147235	LYDWIEXPVCFJGT-HSZRJFAPSA-N	409.530	3.639	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(COc3cccc(C(C)=O)c3)on2)c1	770790894	HWNZSNZTCTYQGB-CYBMUJFWSA-N	410.426	3.661	10	20	HHCD	
COc1ccc(-c2nc(COC(=O)/C=C\c3ccc(O)c(O)c3)cs2)cc1OC	772773363	CDBAWHHGRBCLLP-YWEYNIOJSA-N	413.451	3.995	10	20	HHCD	
Cc1nn(-c2ccccc2)c2nc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)ccc12	773740899	USIGEXFSEQYQHG-CQSZACIVSA-N	402.454	3.501	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1NC(=O)C(C)(C)C	773844266	DFUASKZYICHWTJ-MRXNPFEDSA-N	424.545	3.862	10	20	HHCD	
Cc1cc(C)cc(-n2nc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2C)c1	773846713	NQZBOHWXKJPHBQ-SFHVURJKSA-N	419.529	3.679	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(OCC(=O)O)cc2)c(C)n1-c1ccc(F)cc1	774063167	RJRHBHYQBLDXNM-UHFFFAOYSA-N	410.445	3.969	10	20	HHCD	
CC(C)[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc2nc(O)oc2c1	774390580	JWRWSZKVWSRKIK-GCJKJVERSA-N	422.529	3.722	10	20	HHCD	
COc1ccccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1	775209821	ZYXWETNWRUHDOS-UHFFFAOYSA-N	403.485	3.578	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)c1	775374778	FUXLRJFXUWTGON-ZDUSSCGKSA-N	418.540	3.779	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3cccc(SC)c3C)CC2)cc1	775396723	PEYGHGOQWLTANQ-UHFFFAOYSA-N	414.575	3.669	10	20	HHCD	
C[C@H](NC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccc(N(C)C)cc1	775464223	LKHQVASBSLUVFX-HNNXBMFYSA-N	418.563	3.712	10	20	HHCD	
CN1[C@H]2CC[C@H]1CN(Cc1cc(Br)cc(Br)c1O)CC2	775717156	MXGSXVRQWWXFRU-STQMWFEESA-N	404.146	3.586	10	20	HHCD	
CCNC(=O)COc1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	776822149	OIPVTRQOXVAQJC-MRXNPFEDSA-N	417.937	3.865	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NC[C@H](O)COc2ccc(F)c(F)c2)c1O	779022278	QJNZPJRFRGUQBV-YPMHNXCESA-N	416.262	3.832	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1OC(C)C	779150839	YCTAQDZMXSGEQP-UHFFFAOYSA-N	401.482	3.666	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	780609483	UFJOFAIMVMKGAM-RBSFLKMASA-N	417.481	3.603	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1	782809109	AXWYRRXVOXUAQM-UHFFFAOYSA-N	419.472	3.771	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCS2)NC(=O)OC(C)(C)C)cc1	783581334	XLYSQRRDHJLFNY-ZWKOTPCHSA-N	407.580	3.720	10	20	HHCD	
COc1c(CNC(=O)NCc2ccc(N3CCSCC3)cc2)oc2ccccc12	788732244	MGPMYKGTPFUXEQ-UHFFFAOYSA-N	411.527	3.994	10	20	HHCD	
CC(C)N(C)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cn1	790100336	AYTGUOSOOITFTO-PTNGSMBKSA-N	407.561	3.772	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1OC	793298626	XYJDMJJZSJWMPH-GOSISDBHSA-N	414.502	3.548	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c(C)nc3ccc(Br)cn23)c1	793687710	AJNWSSVRKANGTQ-JTQLQIEISA-N	404.264	3.610	10	20	HHCD	
CCn1ncc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c(C)nc21	799312594	VSVFRAPTQUEKAO-UHFFFAOYSA-N	410.433	3.787	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1ccc(Br)cc1	801550404	ZAVGZAOYXUFJNI-UHFFFAOYSA-N	419.319	3.713	10	20	HHCD	
CCn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	801931266	VXDZTHACMMRSPW-UHFFFAOYSA-N	421.545	3.658	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)c(C(F)(F)F)cc1F	804274792	JXSHXYLARCPNJZ-UHFFFAOYSA-N	418.337	3.889	10	20	HHCD	
COCCCOc1ccc(CNC(=O)NCc2cccc(Br)c2O)cc1	805758059	BHYWYYDRPLDHMY-UHFFFAOYSA-N	423.307	3.569	10	20	HHCD	
CC[C@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1cccc(Cl)c1O	806136973	FLJNJURSTMXPEY-RXVVDRJESA-N	415.965	3.984	10	20	HHCD	
COc1ccc2cc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)ccc2c1	806839879	LMNPEYBZCHYTCN-UHFFFAOYSA-N	403.482	3.704	10	20	HHCD	
CCN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCCCC1	807768861	PYRBDMWZQUSLEF-MRXNPFEDSA-N	423.504	3.554	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1cc(Cl)ccc1OCC	808656755	FWESRVHVMAVWSH-UHFFFAOYSA-N	418.921	3.542	10	20	HHCD	
C[C@H](NCc1cccc(Br)c1O)[C@H]1CN(Cc2ccccc2)CCO1	809654862	RSHPJTCIINBMBI-HNAYVOBHSA-N	405.336	3.534	10	20	HHCD	
CNS(=O)(=O)c1ccc(C)c(NCc2ccc(OCc3ccccc3)cc2O)c1	809682533	SNPWXYBCJIEZGS-UHFFFAOYSA-N	412.511	3.800	10	20	HHCD	
C[C@@H](OCCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1	913635720	CXJHSSCOTVVSRC-HXUWFJFHSA-N	411.546	3.833	10	20	HHCD	
C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)O1	915754517	PPPDTPISYLCHFR-HDICACEKSA-N	423.517	3.656	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(N2CCSCC2)cc1	916587691	XFJCECFTPAYAPB-UHFFFAOYSA-N	410.587	3.839	10	20	HHCD	
Oc1ccccc1CN(C[C@@H](O)COCc1ccccc1Cl)C[C@H]1CCCO1	916632908	CBUFERMCFAAHCP-WOJBJXKFSA-N	405.922	3.604	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2cccc(N3CCCC3=O)c2)C2CC2)cc1	918069417	VLKSDNHXMSBZHQ-UHFFFAOYSA-N	406.530	3.754	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(F)c(F)c1F	918311543	UIMZMHGBTDHFRP-UHFFFAOYSA-N	405.420	3.691	10	20	HHCD	
COC(C)(C)CCS(=O)(=O)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1116776317	PTQFCVNTZLKJLD-UHFFFAOYSA-N	412.939	3.622	10	20	HHCD	
CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2c(Cl)ccc3nonc23)cs1	1324142143	XIBXMVYAXMUZDQ-UHFFFAOYSA-N	409.855	3.610	10	20	HHCD	
OC1CCN(c2ccc(CNc3ccc4nnc(-c5ccccc5)n4n3)cc2F)CC1	53574114	SSFTXDXDXWCWDP-UHFFFAOYSA-N	418.476	3.504	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1ccnc2cc(Br)cnc12	302235512	IGIOUPLCHACANG-UHFFFAOYSA-N	413.319	3.865	10	20	HHCD	
Cc1c(Br)cccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	472811396	ZRSLHYVMEHLQKL-UHFFFAOYSA-N	414.303	3.813	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccc(F)c2)cs1)c1cnn(-c2ccccc2)c1	727244616	DWOYUGFBVQHZBH-UHFFFAOYSA-N	400.460	3.936	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2ccccc2Cl)nc1-c1ccccc1	727250459	KWONZQADXGUTIS-UHFFFAOYSA-N	422.915	3.980	10	20	HHCD	
COc1cccc2c1OC[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C2	728400217	TZKQSTZTKZFDBV-SFHVURJKSA-N	408.454	3.709	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H](c3nnc4n3CCC4)C2)c(C)n1-c1cccc(F)c1	728915265	OCYFNGXNSPJSJP-SFHVURJKSA-N	421.520	3.833	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1	728983680	CLLHSSNJHVCXCZ-LLVKDONJSA-N	418.902	3.876	10	20	HHCD	
Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731016833	PULLJVIVGFQDSJ-XQNSMLJCSA-N	416.529	3.532	10	20	HHCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1	731051012	GMXATOGRVOEZQM-UHFFFAOYSA-N	404.473	3.814	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCC3)c2)cc1F	731408576	RCYGKLLOCLYAIA-UHFFFAOYSA-N	412.509	3.527	10	20	HHCD	
COc1ccc(Cl)cc1NCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	735517459	CADQRFGMBPLJNV-QGZVFWFLSA-N	404.894	3.674	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@]3(C)CCCN(C(=O)c4ccccc4)C3)ccc21	741915685	RSJASRUVCWCLJN-RUZDIDTESA-N	405.542	3.628	10	20	HHCD	
Cc1nnc([C@@H](C)OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)o1	744494261	DKUPSDQWUQFXJV-QQMDNXKGSA-N	423.541	3.725	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc2[nH]ccc12	747360328	TXVKZGIVWPBZMA-UHFFFAOYSA-N	403.404	3.953	10	20	HHCD	
O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OC1CCC1	747771260	WHUBSQYTCNFNDZ-MDWZMJQESA-N	412.330	3.746	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O	750671972	WEPCXLJYWVVEMN-GOSISDBHSA-N	401.894	3.773	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F	751306280	QXVHJXMAIRZKHB-UHFFFAOYSA-N	421.398	3.763	10	20	HHCD	
COC(=O)c1cnc(NCc2ccc(N3CCC(CO)CC3)cc2)cc1C(F)(F)F	753550062	SUHNRFBPVIAICP-UHFFFAOYSA-N	423.435	3.708	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(-c4ccccn4)c3)CC2)cc1F	754884609	KOVXPPFIVSOHSW-UHFFFAOYSA-N	421.472	3.867	10	20	HHCD	
Cc1ccc(O)c(CNCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)c1	756045485	KUHPQLVCWIRNHC-UHFFFAOYSA-N	402.560	3.552	10	20	HHCD	
C[C@H](NCCCO[C@@H]1CCOC1)c1cc(Br)cc(Br)c1O	756649471	HKPBVMHMXIKFAV-CMPLNLGQSA-N	423.145	3.763	10	20	HHCD	
C[C@@H](NC[C@](C)(O)C(F)(F)F)c1cc(Br)cc(Br)c1O	756783189	FKONFPGJBZZQTQ-KBUNVGBDSA-N	421.051	3.881	10	20	HHCD	
C[C@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)cc(F)c1O	756783995	JSDNINPBUFVRAT-DZGCQCFKSA-N	421.310	3.993	10	20	HHCD	
CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)/C=C\c1ccc(O)c(O)c1	759590959	YLJPDCCCJOVZJA-LUAWRHEFSA-N	409.394	3.686	10	20	HHCD	
C[C@@H](NC(=O)N1CCC2(CC1)OCc1ccccc12)c1ccc(N2CCOCC2)cc1	760167491	PKYDUURXTFRQFR-LJQANCHMSA-N	421.541	3.815	10	20	HHCD	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	760354123	WSDWONFHYWVBDT-INIZCTEOSA-N	402.922	3.632	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC3(c4ccc(F)cc4F)CC3)CC2)cc1	761681333	SQHNWCSUWNSMPT-UHFFFAOYSA-N	415.484	3.973	10	20	HHCD	
CCN(CC)c1ccc(CNCc2cccc(N3CCCS3(=O)=O)c2)cc1F	764977342	NWJVMTOADVTTIS-UHFFFAOYSA-N	405.539	3.502	10	20	HHCD	
Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1cccc2nonc12	765053615	LWHGCDZVVOCAPP-UHFFFAOYSA-N	408.439	3.584	10	20	HHCD	
Cc1c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)nnn1-c1ccccc1	765287033	NBEKFBBQQHQNIE-INIZCTEOSA-N	409.509	3.527	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(Cc2ccccc2)c1	765294995	BYUFKRHSPXTZPM-FQEVSTJZSA-N	404.558	3.991	10	20	HHCD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1O	765751951	BHPVFPKZSXQAPP-SFHVURJKSA-N	415.328	3.854	10	20	HHCD	
COc1cc(N2CCN(C(=O)Cc3c(C)oc4ccccc34)CC2)cc(OC)c1OC	767119261	YPJQKZCSVLNLQQ-UHFFFAOYSA-N	424.497	3.658	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(-c2cc(F)c(F)c(F)c2)no1	767886819	CFRBVDKMDYNPAO-UHFFFAOYSA-N	418.419	3.623	10	20	HHCD	
Cc1ccc(CNC(=O)C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)cc1F	768320709	ZNCYMIFYVBKOPL-UHFFFAOYSA-N	401.501	3.868	10	20	HHCD	
COCCC(=O)N1CCC(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	769322534	MGIICOMKBDFZOW-UHFFFAOYSA-N	417.937	3.505	10	20	HHCD	
O[C@H](CN(Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1)c1ccco1	769538316	CUOLESYQDQHCIL-HSZRJFAPSA-N	410.489	3.991	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cc1)C1CCCCC1	771424639	WPMGSAVDORUFIF-WMZHIEFXSA-N	401.551	3.593	10	20	HHCD	
O=C(CNc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCOCC2)c(F)c1	772902703	WCAQFBPAHFWGAE-UHFFFAOYSA-N	412.292	3.697	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2cc(F)ccc2F)nc1-c1ccccc1	775209118	SEBUCIICIGAMLX-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1)c1ccc(N(C)C)cc1	776239789	VLVVKPFPHDILMR-MOPGFXCFSA-N	408.546	3.665	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(-c2cccc(Cl)c2F)nn1	776450911	QENFVPZNDCKLNR-UHFFFAOYSA-N	401.873	3.788	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNc1cnc2c(c1)COCC2	777441702	IRJSTBCMLDADAD-UHFFFAOYSA-N	414.097	3.997	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC(C)(C)CC(F)(F)F)cc2F)C[C@H](C)O1	780313785	YNCUOXCBWTUNFW-STQMWFEESA-N	405.436	3.970	10	20	HHCD	
CC(C)Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n(C)n1	782896492	OWQNCRCMXRRARN-UHFFFAOYSA-N	412.534	3.624	10	20	HHCD	
CC(C)COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1	783314787	RFWUQZZBABBELC-UHFFFAOYSA-N	412.534	3.558	10	20	HHCD	
NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785229432	WMQFQZKBQPALSQ-OALUTQOASA-N	407.474	3.591	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1	793407219	BIYADKOVCRUSOX-UHFFFAOYSA-N	416.566	3.851	10	20	HHCD	
Cc1ccc(-c2ccnn2C)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1	799241126	OCTSCWNDFUBEEN-UHFFFAOYSA-N	405.502	3.554	10	20	HHCD	
CC(C)OC[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCO1	799995585	PABUKRYFGLGAGA-IEBWSBKVSA-N	423.985	3.912	10	20	HHCD	
CC(C)c1nnc2ccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cn12	801744047	XCGDWAPKGCHFHU-MRXNPFEDSA-N	408.506	3.572	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)C(C)(C)c1ccccc1	806281451	YSMKTMHCGNULGI-MRXNPFEDSA-N	405.589	3.614	10	20	HHCD	
COc1cccc([C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)N(C)C)c1	806308929	ZSLHZIXVSZNFNP-KRWDZBQOSA-N	412.317	3.810	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)ccc21	806634728	KOTYYFWHUPWSIZ-GPXNEJASSA-N	405.542	3.783	10	20	HHCD	
Cc1cccc([C@@H](C)CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	807469227	FRADUECYGDNXAQ-SFHVURJKSA-N	406.482	3.742	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](C)C(=O)Nc3cccc(N4CCCC4)c3)CC2)cc1	812829181	OCZYTOHVTLCHMQ-IBGZPJMESA-N	422.573	3.881	10	20	HHCD	
COc1ccc([C@H](O)C2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)cc1	813052115	ZKSXDDUXORBXLD-QFIPXVFZSA-N	415.509	3.556	10	20	HHCD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCc1ccc(N2CCSCC2)cc1	815046605	ZNHOPMGDVGYCOP-KRWDZBQOSA-N	406.555	3.678	10	20	HHCD	
O=S1(=O)CCCN1c1ccc(CNCc2ccc3ccccc3c2O)cc1F	816573504	APIHIULZUBAHKY-UHFFFAOYSA-N	400.475	3.514	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N(CCn3ccnc3)Cc3cnn(C)c3)c2C)c1	819733710	OTJKNYXJGLZCEO-UHFFFAOYSA-N	416.529	3.675	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)N[C@@H](c2ccccc2)C2CC2)c(C)n1-c1ccccn1	914904267	ZFPKSGADYAUHHU-QHCPKHFHSA-N	403.482	3.913	10	20	HHCD	
CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(OC)cc(C(C)(C)C)c1O	915803508	GEDWRSMBEYNVCV-UHFFFAOYSA-N	402.510	3.976	10	20	HHCD	
CSc1nccn1-c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	916732324	HZFABJWQZDHPIO-UHFFFAOYSA-N	422.554	3.703	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)c(C)n1-c1ccc(Cl)cc1	919520699	FIGKAZYIDIBBDE-LBPRGKRZSA-N	402.800	3.971	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccccc1CN1CCCC1)c1ccc(N2CCOCC2)cc1	920921159	YYVRHOOFUAJZLZ-HXUWFJFHSA-N	422.573	3.679	10	20	HHCD	
CN1CCN(c2ccc(CN3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)cc2F)CC1	1117589136	HKRSHSIQDKYFLM-AOHZBQACSA-N	409.549	3.582	10	20	HHCD	
CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1318396144	GKHJRHQSZPUDFN-IBGZPJMESA-N	422.589	3.607	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccc(C(=O)NCCN2CCCC2)cc1	1325357524	SWIHQGOOKAKTSG-RXVVDRJESA-N	407.558	3.864	10	20	HHCD	
CCC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(N3CCCCC3)cc1)C2=O	23854931	DTWCKRLQIGTCDG-UHFFFAOYSA-N	412.578	3.957	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C/c3cnn(-c4ccccc4)c3)SC2=S)c1	210366344	GGHMKPRCJFVOPC-MFOYZWKCSA-N	407.476	3.976	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(F)c(-n4nnnc4C)c3)ccc21	484398294	QFAINMJFSQUBFC-UHFFFAOYSA-N	422.464	3.580	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C(C)C)N2CCCC2=O)c(C)n1-c1cccc(F)c1	726035474	GLYKSEYZRHLTMF-QFIPXVFZSA-N	414.477	3.606	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1	727171099	QXBDENLHUNLVPP-UHFFFAOYSA-N	418.559	3.663	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1C	729579793	IOTCXZTZYDFVOH-CQSZACIVSA-N	421.519	3.744	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(CCc3ccccc3)C3CC3)cc2F)CC1	730134100	NECSTFLEFGWSFF-UHFFFAOYSA-N	424.564	3.884	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c1	734018365	ONFDTUNAJNSTNG-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
CCN(C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccc(F)cc1	738300044	SQMUOFPJOSGEBV-LJQANCHMSA-N	413.537	3.704	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ncccn2)c(C)n1-c1ccc(OC(F)F)cc1	741034812	ALWOENSLEXISCM-UHFFFAOYSA-N	401.369	3.525	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)cc(C)c1F	742029804	LFZHCFBTIQHPPL-UHFFFAOYSA-N	402.495	3.554	10	20	HHCD	
CCCc1noc(CCCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	742805278	INCHFTVTVFAAKV-HNNXBMFYSA-N	422.476	3.731	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(-c3nnnn3CC)c2)cc1F	743178940	UWUDSLMDFWHGDG-UHFFFAOYSA-N	411.485	3.667	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3C[C@H](C)C[C@@H]3c3ccccc3F)CC2)cc1	743857920	XNUVHUSARNEURK-WZONZLPQSA-N	411.521	3.566	10	20	HHCD	
COc1cccc(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1O	746239277	CVJLYTGTBLXXEK-KRWDZBQOSA-N	400.475	3.673	10	20	HHCD	
Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	752360905	OWQGDBALQRNKQF-UHFFFAOYSA-N	414.525	3.791	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C)cn3)c2C)cc1	753480220	HNPQGFFYDNSCLX-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)N(Cc3ccco3)c3ccccc3)CC2)cc1F	753858605	YXAKRZOOMCIEML-UHFFFAOYSA-N	423.488	3.783	10	20	HHCD	
O=C(Cc1ccc(I)cc1)NCCCSc1nccs1	754226499	FKRZFXHGEDEJJQ-UHFFFAOYSA-N	418.325	3.589	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(Br)cc3O)C2=O)cc1	756710144	ATPUGHAHEKSQHB-ACJLOTCBSA-N	419.319	3.615	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CCCO[C@@H]1c1ccccc1	761121206	GFUSZEQQBPNZDO-IIBYNOLFSA-N	414.889	3.978	10	20	HHCD	
O=C(CSc1ccc(O)cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761980398	BWNDNXSFWBXSFH-MRXNPFEDSA-N	406.935	3.624	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1csc(-c2ccco2)n1	763591222	SSWZZRRYFCEGKC-UHFFFAOYSA-N	414.556	3.956	10	20	HHCD	
COCc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OC	765287579	QWTGDLGWAJHKEC-MRXNPFEDSA-N	402.510	3.793	10	20	HHCD	
Cc1nn(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1-c1ccccc1	766486181	YHKCDWZWBVGGHJ-SFHVURJKSA-N	404.514	3.573	10	20	HHCD	
Nc1nsc(N2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)n1	766848271	BJJBQJJFTFLIHC-UHFFFAOYSA-N	408.491	3.890	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C/c3cncc(Br)c3)SC2=S)c1	767340911	JDVFHYNXANOSNA-ACAGNQJTSA-N	421.297	3.948	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1	769334222	VKDIUQFYAMMMLM-LJQANCHMSA-N	408.479	3.556	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OC)c3cccnc23)cc1	770720226	LPRIBNAQRIHBFV-UHFFFAOYSA-N	420.513	3.687	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1C[C@@H]2CCC[C@H](C1)C2=O	771055708	CUEJREMEWMXPAZ-IEBWDACRSA-N	404.938	3.522	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	772998065	IJVCFIJZMOLRNN-YZZKKUAISA-N	407.558	3.929	10	20	HHCD	
CCCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cn1	773309957	LFTVZIAVBMWPFG-UHFFFAOYSA-N	424.545	3.752	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1	773622576	GQXPANDUQGVWBR-MSOLQXFVSA-N	423.561	3.740	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccnc1Oc1ccccc1)c1ccc(N(C)C)cc1	773858190	PLBLVCCMMJPZKC-INIZCTEOSA-N	404.470	3.756	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ncccc12	773858391	PWCHKGVVPZMACY-OAHLLOKOSA-N	406.486	3.515	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(SC)c2C)cc1F	775141959	FWQLCFFMBSDSOB-UHFFFAOYSA-N	403.523	3.957	10	20	HHCD	
C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	775407816	WUDOJBBYTJWYOU-VULIGXMUSA-N	403.482	3.994	10	20	HHCD	
C[C@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3)c1ccc(N(C)C)cc1	776270167	RILIDOVZZLNEOW-ZDUSSCGKSA-N	410.543	3.762	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cc(C)ccc3Cl)CC2)cc1	778346224	PBBSZVFUYZTBSR-KTKRTIGZSA-N	413.905	3.501	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1	778620930	TYTGSMNMBYXBEI-HKUYNNGSSA-N	418.582	3.978	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NC[C@H](O)COc2ccc(F)c(F)c2)c1O	779022275	QJNZPJRFRGUQBV-AAEUAGOBSA-N	416.262	3.832	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)c2)no1	784060290	CDJMTGNFLSOGAG-UHFFFAOYSA-N	419.485	3.932	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	784495497	MUPLXZYHXUACPH-UHFFFAOYSA-N	418.925	3.559	10	20	HHCD	
CCC(CC)(C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccc(OC)c(OC)c1	784711514	JETJMVOWFPEEFC-UHFFFAOYSA-N	402.443	3.599	10	20	HHCD	
Cn1nc(Br)cc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	785483703	QNEJGFREIJFGBD-GFCCVEGCSA-N	415.282	3.543	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cccc(-c3cccnc3)c2)cc1	788939574	LKZIPHLHDDPPPE-UHFFFAOYSA-N	416.525	3.527	10	20	HHCD	
CC(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1C	789897356	ZEQIGCPVPNDCQR-UHFFFAOYSA-N	420.431	3.983	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)Oc1cccc(F)c1	791249896	KTMJBAQBZPHYKE-MRXNPFEDSA-N	416.493	3.982	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@H](C)S(=O)[C@@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	792395940	WJOYZYRHIVOBMR-GJZGRUSLSA-N	424.513	3.720	10	20	HHCD	
CCOc1cccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	793825469	DSSNBJTXXSQMEK-IBGZPJMESA-N	423.557	3.815	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c(O)c1	794382160	ZCGMNSQYNGNRAH-SFHVURJKSA-N	420.893	3.936	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(F)c4ccccc34)cc2)C1	795000107	RAAWMQXTTXFINR-QGZVFWFLSA-N	405.473	3.611	10	20	HHCD	
CN(C)c1ccc([C@@H](CNc2cccnc2[N+](=O)[O-])NC(=O)OC(C)(C)C)cc1	795226453	GVBOSYGHUXGIGR-QGZVFWFLSA-N	401.467	3.734	10	20	HHCD	
COc1cccc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1F	795359957	IMBHPJRLYYYWLK-IYBDPMFKSA-N	418.484	3.836	10	20	HHCD	
COc1ccccc1-n1ncc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1C	798896196	UQGHVQIXTDDIEU-UHFFFAOYSA-N	422.554	3.673	10	20	HHCD	
O=S(=O)(Nc1c(F)cc(F)cc1Br)c1cccc2nsnc12	799184955	RCVNAHATTRBDDJ-UHFFFAOYSA-N	406.233	3.533	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)cc3)cc2Cl)C1	800637472	ZKUURCSXTYODOS-CQSZACIVSA-N	403.885	3.970	10	20	HHCD	
COCCO[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1	800769010	JNZTZFFSWOAVPA-HXUWFJFHSA-N	409.534	3.521	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)cc1)C1CCCCC1	805011418	JPYIBZZVEQXOHP-FGZHOGPDSA-N	401.551	3.545	10	20	HHCD	
CC[C@@H](N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc(Cl)c1O	806147478	JLTKFMBHWWNIKN-MOPGFXCFSA-N	404.894	3.909	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1Cl	806848507	VJJBPOOGYCXQEZ-OAQYLSRUSA-N	411.933	3.846	10	20	HHCD	
COC(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1	810657429	IANMTQREHDVTIX-UHFFFAOYSA-N	415.921	3.909	10	20	HHCD	
CC(C)OCCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	914748079	FRGFYKDKDWFHQY-QINSGFPZSA-N	412.602	3.661	10	20	HHCD	
C[C@H](NC(=O)N(C)CCOc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1	920869550	RSDLGKFDWPZZMY-KRWDZBQOSA-N	417.937	3.958	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3cc4cccc(OC)c4o3)CC2)cc1F	1319030055	RCLFSICURVFJJC-UHFFFAOYSA-N	413.449	3.621	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)C1CCN(C(=O)OCc2ccccc2)CC1	1346941060	MLHTXDXKBWPWDF-UHFFFAOYSA-N	414.849	3.864	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1	25393748	VFOUMHVGIXTDRV-IBGZPJMESA-N	403.954	3.834	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2cnc3ccccc32)cc1	96956534	XDWNOUSAHSBQRC-NRFANRHFSA-N	406.530	3.700	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cccc(OCC(F)F)c3)CC2)cc1	110469443	SBQQJSKMZUIADY-UHFFFAOYSA-N	419.472	3.807	10	20	HHCD	
CNC(=O)c1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])c1	301486004	ZODSHVADXAWVLC-AWEZNQCLSA-N	420.416	3.637	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)c1ccc2nnc(-c3ccccc3)n2n1	301948707	CAOCJZJAAVLPDG-IBGZPJMESA-N	401.470	3.683	10	20	HHCD	
Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCc3c(C)c4ccccc4n3C)c2C)n1	471219411	HRHPPSUCRWPTSG-UHFFFAOYSA-N	416.529	3.555	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCCOc3ccc(F)cc3)CC2)cc1	726609622	DQHAUNZQZQVOJY-UHFFFAOYSA-N	415.509	3.962	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc2c1ccn2C	727037724	QQHGCZDFHZAMPB-UHFFFAOYSA-N	404.514	3.766	10	20	HHCD	
CN(C[C@@H]1CCCOC1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	730792353	GSKYLOUFFWRYBU-LUYJPIOASA-N	424.613	3.615	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccnc2-n2cncn2)cc1	731279094	ZUZRCYGKAJXHES-UHFFFAOYSA-N	417.473	3.556	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCCC(=O)N2Cc3ccccc3C2)cc1	732242026	VDBCBHNFMZAJPT-UHFFFAOYSA-N	408.546	3.655	10	20	HHCD	
Cc1cc(C(=O)N(C)CCN2CCCC2=O)c(C)n1-c1ccccc1Br	732975705	ZZXHAXVEGLBXFM-UHFFFAOYSA-N	418.335	3.551	10	20	HHCD	
Cc1nn(C)cc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	733610119	YLWMMTXLQIFYLC-UHFFFAOYSA-N	403.841	3.968	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@H]1c1c(F)cccc1F	734867502	OOZKMENIEQULGE-NQIIRXRSSA-N	415.484	3.529	10	20	HHCD	
C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	735847362	KQAUNAXEWYHSMH-LPHOPBHVSA-N	417.550	3.664	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC4(CCCC4)CC3)cc2F)C[C@@H](C)O1	738338465	CXSCYKTZJUVCCB-RTBURBONSA-N	417.569	3.712	10	20	HHCD	
C[C@H](c1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1)N1CCOCC1	741067189	IGBMNIVTYWUZBM-LJQANCHMSA-N	406.530	3.778	10	20	HHCD	
O=C(N[C@@H](Cn1cccn1)c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	741426792	PTYHEKYXQQGQRX-VXKWHMMOSA-N	420.513	3.721	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)CC2)cc1	741554977	WVLNLYLBRWFVBR-UHFFFAOYSA-N	423.557	3.870	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1cc(F)c(F)cc1I	743229470	ITQIIDABDGQUDN-UHFFFAOYSA-N	404.154	3.597	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)Cc1c(C)nn(C)c1C	743808609	ZNLHMLGGTBPDCO-LBPRGKRZSA-N	408.340	3.732	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCNC(=O)c1ccccc1Cl	745434265	PIKADUHJUCANKT-UHFFFAOYSA-N	416.953	3.756	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)NCc2ccccc2O)c2cccc(S(C)(=O)=O)c2)cc1	745790190	VMPHRDOXCCDPJZ-JOCHJYFZSA-N	424.522	3.693	10	20	HHCD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C(=O)NCc1ccccc1O	748482720	XZVQWYIOXMQZKB-UHFFFAOYSA-N	418.453	3.600	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(OCC(F)F)cc1	748620726	ZOGXGHMFBHMISF-UHFFFAOYSA-N	419.472	3.861	10	20	HHCD	
O=C(CCOc1ccc(F)c(Cl)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405483	FSPOWPRMNJKDIB-UHFFFAOYSA-N	424.875	3.665	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(CCCOCC(F)(F)F)CC3)c2c1	749677682	WDOIBNLFHKTXRT-UHFFFAOYSA-N	412.452	3.641	10	20	HHCD	
Cc1ccc(S(=O)(=O)C2(C(=O)N(C)Cc3ccc(N(C)C)cc3)CCCC2)cc1	750983321	GZPRLXOBMRUGCC-UHFFFAOYSA-N	414.571	3.806	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CC(=O)N(C2CCCCC2)C1	751300321	VYWAZUMMZSBSOL-MRXNPFEDSA-N	403.486	3.516	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccn3Cc3ccncc3)cc2F)C[C@H](C)O1	751348283	ZSNCFBHDHQUERZ-ROUUACIJSA-N	422.504	3.614	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccc(Br)cc3)CC2)cc1F	753909362	FFOJXJSOSSDUDN-UHFFFAOYSA-N	422.298	3.629	10	20	HHCD	
COC1CCC(CCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	754161678	XCKPJGLZIUZVKQ-LBVWLFBPSA-N	421.557	3.834	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1cccc(OC(C)(C)C)n1	758388342	ZSPPWHJCEFGCJU-UHFFFAOYSA-N	411.546	3.687	10	20	HHCD	
CN1C(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)C12CCCCC2	761638550	XJLVIPHVVQVIDV-MRXNPFEDSA-N	407.461	3.854	10	20	HHCD	
Cc1coc(-c2cc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)ccc2C)n1	764255819	GEQHPKIZCGGUIH-UHFFFAOYSA-N	406.486	3.588	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC2(N3CCOCC3)CC2)cc1	765121662	JRCGODUXXUVASY-UHFFFAOYSA-N	407.518	3.763	10	20	HHCD	
COc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)ccc1OCC(N)=O	765405835	PULBNRFGJSZSNE-GOSISDBHSA-N	411.546	3.791	10	20	HHCD	
O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2cc3c(cc2O)OCO3)cc1	768421181	HZAGKDBRPTWZLB-UHFFFAOYSA-N	420.465	3.809	10	20	HHCD	
COc1cc(Br)cc(CN2CC[C@@H](N(C)Cc3ccccc3)C2)c1O	769498595	LPIACTBSYGDQGS-GOSISDBHSA-N	405.336	3.870	10	20	HHCD	
O=C(Nc1ccc(C2CC2)nn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	773285710	RKDHDBJJKMMPPK-AWEZNQCLSA-N	403.433	3.746	10	20	HHCD	
COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CCC(=O)N2C)cc1	775402357	DEJNQNZLSPPWEI-XORNHQRDSA-N	409.530	3.548	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1O	776748671	WFXPWNGQZDNVIQ-UHFFFAOYSA-N	400.431	3.893	10	20	HHCD	
CCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCN(C(=O)c2ccccc2)CC1	781352035	SEYQIUOZAFVTQC-KRWDZBQOSA-N	410.514	3.911	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(C)c(C(=O)N(C)C(C)C)c3)CC2)cc1	786067963	QQJISHFGOFUPHO-UHFFFAOYSA-N	424.545	3.838	10	20	HHCD	
COC[C@H](N[C@H](C)c1cc(Br)cc(Br)c1O)[C@H]1CCCO1	788622728	HJBUIKHUVWFDDN-BIGNPOOSSA-N	423.145	3.762	10	20	HHCD	
COc1cccc([C@H]2C[C@H](C)CN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	788933351	PKBCULKKKURGDC-FDDCHVKYSA-N	421.541	3.521	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)NCCc2ccc(F)cc2)cc1	789173888	MJGRLKIDRNJFGD-JOCHJYFZSA-N	415.578	3.990	10	20	HHCD	
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1ccc(N2CCOCC2)c(F)c1	789767361	AGIJORWNAOIFPZ-QGZVFWFLSA-N	413.493	3.812	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1C(CC)CC	790693924	FHZSWNYOVMOKEC-UHFFFAOYSA-N	416.541	3.837	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnn(CC(C)C)c1C	791249076	CDMARZSJIOLIQY-UHFFFAOYSA-N	414.550	3.850	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc4ncccc4c3)cc2F)C[C@@H](C)O1	792037507	CRHZBBYTONTGQL-IAGOWNOFSA-N	422.504	3.987	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)c(O)c1	797389837	AWRPORZVGFFUJG-UHFFFAOYSA-N	410.401	3.587	10	20	HHCD	
COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)[C@@H]1C	800719650	MNYUXJJLOYTERG-ZMSDIMECSA-N	407.942	3.669	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(C)c1OC	804328845	ZOKKDKKQWMVDDR-FQEVSTJZSA-N	412.530	3.900	10	20	HHCD	
CCCCOc1ccccc1NC(=O)C(=O)NCc1cc(Br)ccc1O	807387530	MQSJXRWRWHSONM-UHFFFAOYSA-N	421.291	3.589	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H](c1cccc(F)c1)N1CCOCC1	807837500	SAAHHJUDFWWGQP-QGZVFWFLSA-N	413.276	3.528	10	20	HHCD	
CCS(=O)(=O)c1ccc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807839923	VAIWJABKKSPFQE-UHFFFAOYSA-N	416.326	3.742	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(O)c(C(=O)O)c3)SC2=S)cc1	809152073	CAZARSZGSVOFNE-YBEGLDIGSA-N	400.481	3.562	10	20	HHCD	
O=C1NCCCN(Cc2ccc(OCc3ccccc3)cc2O)[C@H]1Cc1ccccc1	816640882	ABAWAPXJQSUXCV-DEOSSOPVSA-N	416.521	3.904	10	20	HHCD	
CCN(CC)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	864673192	LNOBMBZUWFDABE-UKTHLTGXSA-N	413.362	3.519	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c(C)n1-c1ccccn1	914847734	ISCBSTLKNSRNET-UHFFFAOYSA-N	402.498	3.654	10	20	HHCD	
Cc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	915910145	QPNDIOUUWMXMIO-UHFFFAOYSA-N	407.436	3.850	10	20	HHCD	
CN(C)c1c(Cl)cccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	916682210	GRXACINUCKRRSE-UHFFFAOYSA-N	420.916	3.828	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	917897803	QHXBAKOEGYZSKF-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
COc1ccccc1N1C(=O)/C(=C\c2ccc(S(C)(=O)=O)cc2)SC1=S	918199232	PYUAEBHVOQAUCT-LFIBNONCSA-N	405.522	3.505	10	20	HHCD	
Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Cl	919969411	XRCILCQQPBQELB-QGZVFWFLSA-N	416.949	3.941	10	20	HHCD	
CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)n2)cc1	1320092248	SGNHUQTZYMLCNU-HNNXBMFYSA-N	409.486	3.951	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(C)n(-c4ccccc4C)c3=S)CC2)cc1	56552779	IQFKKJKBENREAT-UHFFFAOYSA-N	409.559	3.808	10	20	HHCD	
COCCn1c(C)cc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c1C	727863569	FNOVGVARPMAOIN-PDGQHHTCSA-N	401.557	3.590	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CC(c3ccccc3)=NO2)cc1	728837110	OAIGCPGDHMEMKY-LJQANCHMSA-N	405.420	3.837	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1	728949413	QUXBKYQZSYEQRX-OAHLLOKOSA-N	402.466	3.649	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](c3cccc(F)c3)C2)c1	729468266	AZCHFTGDIZRRLE-IBGZPJMESA-N	412.505	3.556	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2SCCC(N)=O)cc1	731756088	LWJCAPGOYFXQHS-UHFFFAOYSA-N	400.548	3.822	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccc1O)C[C@H]1CCCO1	731844887	QFFJRZMSOMLWJG-LJQANCHMSA-N	413.474	3.619	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cccc(C(=O)NC)c1	733749373	MCPNJVBNFNOKIK-UHFFFAOYSA-N	409.511	3.993	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1	734068807	IJJGVBVLRMGYHQ-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)NC2CCN(C(C)C)CC2)c1C	735960014	DZUGSQGFDVSFAX-UHFFFAOYSA-N	411.546	3.548	10	20	HHCD	
C[C@@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1	737519242	ANQSSAZOHKTBFQ-QGZVFWFLSA-N	419.566	3.784	10	20	HHCD	
CC(C)(CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)NC(=O)OC(C)(C)C	738529784	ZEGXZSXYCVASBT-GOSISDBHSA-N	420.550	3.983	10	20	HHCD	
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1ccc(N2CC=CC2)cc1	741056678	JDQOJQNQLATIIA-UHFFFAOYSA-N	404.514	3.929	10	20	HHCD	
COc1ccc(Br)cc1SCC(=O)NCc1ccc(N(C)C)cc1	741476662	QYTKEJLIJDZEGW-UHFFFAOYSA-N	409.349	3.932	10	20	HHCD	
CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cc(Br)ccc1O	744425694	KFQGKJNERUGKSU-UHFFFAOYSA-N	422.279	3.548	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(OCC(F)(F)F)cc1	747458536	ZWONRKIZWOGJQJ-UHFFFAOYSA-N	414.449	3.706	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H](OCC)C1(C)C	748625225	LLJUZEYBIUTPMR-RTWAWAEBSA-N	403.567	3.648	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1	748859747	QFSDEIORBPVMMH-UHFFFAOYSA-N	406.460	3.927	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1CCN(CC(F)(F)F)CC1	751301200	BCFPFHPUABJOLD-UHFFFAOYSA-N	403.408	3.609	10	20	HHCD	
CCc1cccc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1	751553020	JMZVXSMCCWXCKB-UHFFFAOYSA-N	422.553	3.577	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1	752089104	RKZNNHPNGBRMDK-UHFFFAOYSA-N	412.873	3.559	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1	753635810	JPJQZQGJBZOHLG-LBPRGKRZSA-N	405.376	3.663	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1	753645854	ZCMLDYWWNZCDAP-AWEZNQCLSA-N	408.429	3.850	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(Br)c3)CC2)cc1F	753860721	FUQUGYKDRWBGDQ-UHFFFAOYSA-N	408.271	3.951	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](CCO)CC(C)C	754375998	RYMSUEPBUIHVGL-AWEZNQCLSA-N	401.345	3.731	10	20	HHCD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	754550888	GXRUSGGZCKHMQF-HZPDHXFCSA-N	418.493	3.685	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3cc(Br)c(F)cc3O)cn2)CCO1	756431615	OEGHLFCZMLKKLS-CHWSQXEVSA-N	424.314	3.765	10	20	HHCD	
C[C@@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1ccc(Br)cc1O	756550825	SQDYDPPKOPEHHL-OAHLLOKOSA-N	419.363	3.962	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(c3ccccc3OC)C1=O)OCO2	758818334	FATWWFPINSQTOD-IUXPMGMMSA-N	401.465	3.838	10	20	HHCD	
COc1cc2c(cc1CN[C@H]1CCCN(Cc3cc(Cl)ccc3O)C1)OCO2	759153866	NXRVBYHYGAUVEV-KRWDZBQOSA-N	404.894	3.537	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1	760759118	XTXRXWHMXLGCHM-UHFFFAOYSA-N	420.460	3.930	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN3C(=O)NC4(CCCCCC4)C3=O)cc2F)C[C@@H](C)O1	761101704	UHNDLQSRESSJBH-HZPDHXFCSA-N	403.498	3.584	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1Cc2ccccc2C1	761578602	KCZVQYCPZUYTMK-UHFFFAOYSA-N	404.432	3.573	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1	761668839	IILJJDMXBVZMMF-JOCHJYFZSA-N	408.546	3.523	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CC(OCc2ccccc2)C1	761669190	IOJJRSFMVORUQI-UHFFFAOYSA-N	400.862	3.558	10	20	HHCD	
COc1ccc(C2(CN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)CCC2)cc1	761858689	XCFVFXIAWJKQKP-UHFFFAOYSA-N	414.889	3.940	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1	764266401	YHRVDRIRNYMXBM-UHFFFAOYSA-N	407.426	3.851	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H]3CCCOc4ccc(OC)cc43)cc2F)CC1	765853435	SKSCNCVDKXHEIW-QFIPXVFZSA-N	413.537	3.980	10	20	HHCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccsc2S1	765978256	NLBPSNVQNVHRQI-KBXCAEBGSA-N	408.614	3.698	10	20	HHCD	
OC[C@H](CNCc1cccc(Br)c1O)Cc1cc(F)c(F)c(F)c1	767710161	DBLPSOGVVKUAEO-NSHDSACASA-N	404.226	3.513	10	20	HHCD	
COc1cc(F)cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	769714755	XIQCRVGFSXNBND-GASCZTMLSA-N	419.472	3.586	10	20	HHCD	
CCOc1cccc(CN2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)c1O	770288773	OVWKRHWMDGMFOX-MRXNPFEDSA-N	405.564	3.663	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C)c1ccc(N(C)C)cc1	773630492	UIQITQXQUAIHLX-SOLBZPMBSA-N	404.555	3.901	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2)nc1)c1ccc(N(C)C)cc1	773844706	FELWRAKZQHFCPA-QGZVFWFLSA-N	418.497	3.543	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCc3cc(Br)cc(F)c3C2)cc1	774705051	SIZZAMCFFFSQKX-UHFFFAOYSA-N	406.299	3.922	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](C)c2ccc(Br)cc2)c1	775370562	IEQUBBCZYYYRCP-CHWSQXEVSA-N	407.308	3.691	10	20	HHCD	
CC[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1cc(Cl)ccc1O	775489129	NENHGUSFGVOZEL-NRFANRHFSA-N	404.938	3.998	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1	775690628	QSWZZPSYQMGQCU-UHFFFAOYSA-N	420.403	3.801	10	20	HHCD	
CCOc1ccc(CN(CCCn2ccnc2)C(=O)/C=C/c2ccc(O)c(O)c2)cc1	779513084	RUXFIUDBODKXTK-YRNVUSSQSA-N	421.497	3.825	10	20	HHCD	
COc1ccccc1[C@H](CO)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	784946327	PTHLBSGHDHLMLO-FQEVSTJZSA-N	418.453	3.899	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cnc4ccccc4c3)cc2F)C[C@H](C)O1	786111599	BGRVSKRLIIQUII-IRXDYDNUSA-N	423.488	3.683	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCSc2c(F)cccc21	788458303	CVWIQZPEABKEHU-LJQANCHMSA-N	415.534	3.594	10	20	HHCD	
CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCCC1	789847525	SQKZJGAFPUDELE-UHFFFAOYSA-N	417.619	3.579	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cn1	790108886	XBYDBBQNHWEEGR-BDSDXZHCSA-N	403.573	3.554	10	20	HHCD	
COc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc(-n2cccn2)c1	791969717	PLLYNYPDHKTTAO-HXUWFJFHSA-N	422.485	3.800	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(C(CC)CC)c1CC	792281778	ZMTXZWHFUTUIQO-UHFFFAOYSA-N	400.523	3.890	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc2c(c1)CCN2Cc1ccccc1	794696593	HEXYAZJAUHVEMJ-RCCKNPSSSA-N	405.523	3.552	10	20	HHCD	
c1ccc(CN2CCc3cc(CNC[C@]4(N5CCOCC5)CCSC4)ccc32)cc1	796274791	ALHJUBRGDAUQJX-RUZDIDTESA-N	423.626	3.547	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c(O)c1	797638852	UZMYOYJZHBBFSF-UHFFFAOYSA-N	405.454	3.653	10	20	HHCD	
Cc1ccc([C@H](NCc2cc(Br)ccc2O)[C@@H](C)S(C)(=O)=O)cc1	798088717	SHFJTGCDMHTJRO-FZKQIMNGSA-N	412.349	3.727	10	20	HHCD	
Cc1cccc([C@H](NC(=O)C(=O)NCCCSc2nccs2)C(C)(C)C)c1	806276862	MJFSKNNABZHQHT-INIZCTEOSA-N	405.589	3.954	10	20	HHCD	
COc1ccccc1O[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1	806958978	OLRITQOSDDNLRX-OAHLLOKOSA-N	407.561	3.887	10	20	HHCD	
Cc1ccccc1[C@@H](c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1)C(C)C	809512961	QLJXLTHEDKFKRS-SFHVURJKSA-N	401.488	3.910	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnc(C(F)(F)F)c1	809727787	WZZCAXJXWCLQOY-HNNXBMFYSA-N	413.827	3.854	10	20	HHCD	
Cn1ccnc1[C@@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1	809757641	QEJDPUDGBMTFRI-SNVBAGLBSA-N	415.129	3.640	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](O)c1ccc(Cl)cc1	813488941	JQTJPKDMYZHFTR-MJGOQNOKSA-N	409.313	3.513	10	20	HHCD	
CCCNC(=O)C1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1	875327434	AVCDDQRCNPZGFJ-UHFFFAOYSA-N	410.562	3.584	10	20	HHCD	
CCOc1ccc(C2=N/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)O2)cc1OCC	912756108	XHXFYSBDOHQYAX-HMMYKYKNSA-N	422.481	3.665	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1O	913517278	DVFZFJVPNCOTOI-RQZCQDPDSA-N	400.481	3.765	10	20	HHCD	
CCC(=O)N1CCCN(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)CC1	917409449	ASHATBLAXMQDTN-UHFFFAOYSA-N	413.587	3.943	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3C3CCCCC3)cc2)C1	918123333	UNNRCVDBMCGLNO-IFMALSPDSA-N	412.578	3.643	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(-n4ccnc4S)cc3)CC2)cc1	918369838	WFQCRMLPLITSDP-UHFFFAOYSA-N	408.527	3.522	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)[C@H]2CCOC2)c(C)n1-c1ccc(OC(F)F)cc1	921216296	YDMXPONXBVPTRQ-CABCVRRESA-N	407.413	3.846	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3ccc(-c4cnn(C)c4)cc3)cc2F)CC1	1116872041	WMQXUEZYQZSYBM-UHFFFAOYSA-N	407.537	3.658	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCNS(=O)(=O)c1ccccc1Cl	1321188544	VJXGMYMMRBVGHG-ZBFHGGJFSA-N	408.951	3.861	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1	107921613	SLVWMCPNKMBBBA-UHFFFAOYSA-N	422.550	3.999	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(Cc4cscn4)CC3)c2C)cc1	115763780	CHGXXUFKUFMDMV-UHFFFAOYSA-N	410.543	3.517	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1)C1CCCCC1	116030140	XLSBRPRRFAZBCR-FQEVSTJZSA-N	420.557	3.515	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(N2CCCCC2)cc1	248134254	REUCIVINWJCBMZ-UHFFFAOYSA-N	408.590	3.833	10	20	HHCD	
CCN1CCN(CCCNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	303066544	YWWFRIWRFCKLSZ-UHFFFAOYSA-N	402.970	3.505	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(Cc4nc(C)c(C)o4)CC3)c2C)cc1	303213507	POOVVIDKFKDPAP-UHFFFAOYSA-N	422.529	3.666	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)n(C)c2ccccc12	472800655	AHKIBBNSPJXBNS-UHFFFAOYSA-N	421.888	3.581	10	20	HHCD	
Cc1ccc2ncc(-c3noc(-c4ccc(NC(=O)C5=S=CC=C5)cc4)n3)n2c1	516996799	WAICWNQYIAUNSB-UHFFFAOYSA-N	401.451	3.576	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1	545688816	PYHAYCCYOBGREV-UHFFFAOYSA-N	406.423	3.836	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(Br)cc3OC)CC2)cc1	726562925	QDPCXNZOTOZTOY-UHFFFAOYSA-N	419.319	3.865	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC4(CCCCC4)CC3)cc2)C1	726707340	WDYPHKSSWFFHAU-FQEVSTJZSA-N	412.578	3.644	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c2c(c1)C[C@H](C)O2	727861070	PDZNOOXPHJABNM-HTMJNSLASA-N	412.536	3.858	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCOc2ccc(C(C)=O)cc2OC)c1	728978330	PEMMHWLSMODOOU-CQSZACIVSA-N	401.459	3.648	10	20	HHCD	
C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc2O1	730073874	QWDPQADXHAPJQK-LLVKDONJSA-N	417.468	3.843	10	20	HHCD	
COc1cc(C)cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1O	730283750	ODKWRLQLAQGBBQ-UHFFFAOYSA-N	406.429	3.709	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	731283863	SVZGUADFCMUXDR-QGZVFWFLSA-N	405.539	3.961	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H](O)c3ccc4ccccc4c3)CC2)cc1	731543671	AOKHHMVNQKQIHU-XMMPIXPASA-N	419.525	3.850	10	20	HHCD	
CC(C)c1cc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n2ncnc2n1	732049043	MKKZMRDAEFRTLU-INIZCTEOSA-N	400.914	3.683	10	20	HHCD	
CCOC(=O)CN(CCc1ccccc1)C(=O)c1cc(C)n(-c2ccccn2)c1C	732174108	UZJDPEPUYOJMQJ-UHFFFAOYSA-N	405.498	3.737	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@](C)(c3ccccc3)C2)c1	733301036	WFBRWLNCMAOYGY-AREMUKBSSA-N	422.569	3.981	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCSC[C@@H]1c1ccccc1	734660623	SKKLDLKMPNOVGF-OAQYLSRUSA-N	415.534	3.662	10	20	HHCD	
C[C@H]1Oc2ccccc2N(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1=O	742416707	LPUFVBCEHTZIPP-GOSISDBHSA-N	421.541	3.886	10	20	HHCD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801904	UIFAQWBUBWYNSY-RHSMWYFYSA-N	420.504	3.602	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743053486	QQJGZQKSYBZLMD-AWEZNQCLSA-N	405.401	3.807	10	20	HHCD	
CN1Cc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cc2C1	743413581	IOKKOTHULUWDTA-UHFFFAOYSA-N	420.557	3.656	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)ncn3C)cc1)C1CCCCC1	743899266	RBSMXPPRIKOOLW-UHFFFAOYSA-N	419.529	3.597	10	20	HHCD	
CO[C@@H](CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(C)C	744688374	QLXHAUDHCWJZFZ-GWQWUEFDSA-N	412.602	3.517	10	20	HHCD	
Cc1cc(C(=O)NCCC2CCN(CC(F)(F)F)CC2)c(C)n1-c1ccccn1	748743084	BHQKMKMHCWXGBX-UHFFFAOYSA-N	408.468	3.883	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCCCCC1	749009057	IWCXCSJWKPKGFZ-IBGZPJMESA-N	400.567	3.643	10	20	HHCD	
Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	752596427	MWCCRVWLUXBASE-QGZVFWFLSA-N	404.942	3.700	10	20	HHCD	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(Br)c1	753682772	JLJUGRQKQQNXFQ-WQLSENKSSA-N	400.319	3.824	10	20	HHCD	
COc1ccc2nc(NC(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)sc2c1	753861414	JJXSQNSLFFGAPS-UHFFFAOYSA-N	416.478	3.807	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cnc(Br)cc3C)CC2)cc1	754467668	DYKSBCBNQUHEDR-UHFFFAOYSA-N	419.323	3.952	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cn(C)nc2C(F)F)c(C)n1-c1cccc(F)c1	754984113	MTQYBPQYZIATBZ-UHFFFAOYSA-N	405.376	3.944	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)CCc3ccc(OC)c(O)c3)cc2F)CC1	756096436	KRWRRYXSRFXXHS-GOSISDBHSA-N	415.553	3.793	10	20	HHCD	
C[C@@H](NC[C@@H](C1CC1)N(C)C)c1cc(Br)cc(Br)c1O	756432948	LRFPGSMQFRUVFJ-OTYXRUKQSA-N	406.162	3.908	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(Br)cc(F)c1O	757638686	MXVZHVGSZQWFLN-CXAGYDPISA-N	423.326	3.711	10	20	HHCD	
COCc1nc2n(n1)C[C@H](NC(=O)c1cc(C)n(-c3cccc(C(C)C)c3)c1C)CC2	758328620	UCFXEKVWMCVNRL-LJQANCHMSA-N	421.545	3.700	10	20	HHCD	
COc1cc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)cc(OC)c1OC	759223939	XADUCFDEBNAZPV-UHFFFAOYSA-N	420.509	3.757	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@@H](C)c3cccc(F)c3)CC2)cc(OC)c1OC	759243431	XIUOFLVMCNBVLY-MRXNPFEDSA-N	416.493	3.694	10	20	HHCD	
COc1cc(OC)c(CNC(=O)CSc2ncc(C(C)(C)C)s2)c(OC)c1	759719363	LPVDZIXQIDONRE-UHFFFAOYSA-N	410.561	3.875	10	20	HHCD	
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1ncc(C(C)(C)C)s1	759719794	NBQXEVLXPLVNGR-OAHLLOKOSA-N	404.557	3.659	10	20	HHCD	
CC[C@@H](C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)c1ccc(F)cc1	763382210	LVITUBFXCFQIKU-HSZRJFAPSA-N	413.537	3.656	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1	765298513	VOYVEMYHOUXHTE-LADGPHEKSA-N	406.574	3.949	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1	766834500	DVLUBINWUQEXNS-OALUTQOASA-N	408.329	3.859	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)c2C)c1	766953781	GQIJMOWTIBYHIQ-QPPBQGQZSA-N	420.557	3.907	10	20	HHCD	
C[C@](O)(C1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1)C(F)(F)F	767509646	GYWBLSGBARARDT-NRFANRHFSA-N	423.431	3.854	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1O	768346031	XWLXFGGIMNPBPK-UHFFFAOYSA-N	415.328	3.652	10	20	HHCD	
CCS(=O)(=O)C1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	770033837	GRLJJLIKFFXXRD-UHFFFAOYSA-N	414.531	3.940	10	20	HHCD	
CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1	770484518	CFHNFVIGQSWCGD-UHFFFAOYSA-N	407.436	3.531	10	20	HHCD	
COc1ccccc1[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)OC(C)C	770491010	MWUSDYIWZOIKHV-OAQYLSRUSA-N	403.498	3.866	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C	772041181	CONOSRRSKJWQSS-LJQANCHMSA-N	421.607	3.844	10	20	HHCD	
Cc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)C2=O)cc1	773014547	IMAKYDDGKICSPE-VGOFRKELSA-N	413.949	3.941	10	20	HHCD	
Oc1c(Br)cccc1CNCCc1ccc(OCC(F)(F)F)nc1	775363293	MGUKEOZQUNHOFW-UHFFFAOYSA-N	405.214	3.823	10	20	HHCD	
COc1cc(O)c(CNC(C)(C)COc2ncccc2Br)cc1OC	776253812	UUPPDSKUBVOWAQ-UHFFFAOYSA-N	411.296	3.514	10	20	HHCD	
CCc1ccccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1	777666542	IDORVRAUGSLNPY-UHFFFAOYSA-N	416.524	3.889	10	20	HHCD	
COc1cc(/C=C\C(=O)NCc2ccc(O)c(O)c2)ccc1OCc1c(C)noc1C	778919927	POHJUYSWSWCUNF-TWGQIWQCSA-N	424.453	3.620	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779570469	LSESEXLCGUMONS-XADARROHSA-N	419.481	3.514	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	782647684	FBOCDZUZWRCHOU-ZWKOTPCHSA-N	404.555	3.696	10	20	HHCD	
Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	785295584	WWBSSCQFMWURPM-INIZCTEOSA-N	420.465	3.884	10	20	HHCD	
COC(=O)C[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccncc1	786246133	JVNWBHKJXUXJAK-NRFANRHFSA-N	407.470	3.532	10	20	HHCD	
Cc1cc(C)nc(SCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	786744414	QGHHQZNYWUEXPQ-IAGOWNOFSA-N	417.550	3.860	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@H](C)c3cccc(C(F)(F)F)c3O)C2=O)cc1	788647458	UOFLGOWEUXRXHX-FZKQIMNGSA-N	408.420	3.871	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cccc(C(F)(F)F)c3O)C2=O)cc1	788647459	UOFLGOWEUXRXHX-SCLBCKFNSA-N	408.420	3.871	10	20	HHCD	
CCC[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)sc2C1	789504383	BNMMWCMGLCOIAY-HNNXBMFYSA-N	414.575	3.677	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12	792330917	RHSYWAGIWXUYJW-UHFFFAOYSA-N	418.497	3.528	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)c(O)c1	792825820	BJLFFFFRAUMZSZ-ROUUACIJSA-N	411.546	3.878	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@@H](c3ccccc3)C3CCCC3)ccc21	793635210	SAHYILPFFGNFOJ-QHCPKHFHSA-N	405.542	3.733	10	20	HHCD	
Cc1ccccc1C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	793682619	VWEGYYIRGMNWKM-HXUWFJFHSA-N	407.558	3.595	10	20	HHCD	
C[C@@H]1C[C@H](N2CCOCC2)CN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	796376455	MVISXSLRLVXKRL-GCJKJVERSA-N	407.518	3.836	10	20	HHCD	
COc1ccc(N2CCC(Nc3cc(F)c(N4CCOCC4)cc3F)CC2)cc1	797137753	QHNAKPSMGSTKKE-UHFFFAOYSA-N	403.473	3.891	10	20	HHCD	
CN(CC(F)(F)F)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	800135353	DMWPUMZDDMNTMS-OAHLLOKOSA-N	418.460	3.522	10	20	HHCD	
CC(C)n1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1	800637342	WXJUSKPUQKWCSK-OAHLLOKOSA-N	417.941	3.609	10	20	HHCD	
CCOC1CC2(CCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)C2)C1	806685512	UAIAXVORQYBBLE-UHFFFAOYSA-N	423.504	3.857	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1-c1ncco1	807512367	UQFRQOZNQUVJLM-UHFFFAOYSA-N	420.252	3.917	10	20	HHCD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1cccc(C)c1O	809679977	OBIAGSXHECCEPP-UHFFFAOYSA-N	404.532	3.886	10	20	HHCD	
Cc1nsc(NC2CC2)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	814327988	VQHYSLCEPAWBHN-STQMWFEESA-N	418.538	3.709	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(-n4cccn4)cc3)cc2F)C[C@H](C)O1	916677249	UFTSRWYVLPWEMC-IRXDYDNUSA-N	423.492	3.947	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(c4ccccc4)CCCC3)cc2)C1	917832402	XPZDRUFTFKCSIX-FQEVSTJZSA-N	405.542	3.517	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(F)c(Cl)cc3Cl)cc2)C1	917834277	WHVIUUXVADBITJ-ZDUSSCGKSA-N	424.303	3.764	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2	917846073	HPQUAQIPKYADKB-UHFFFAOYSA-N	401.469	3.926	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)cc1	918368665	CEMILKQVGUXHBG-UHFFFAOYSA-N	403.486	3.581	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(=O)n(C)c2)c(C)n1-c1ccc(Br)cc1	918676986	RQATYFOLEINZPV-UHFFFAOYSA-N	400.276	3.808	10	20	HHCD	
Cc1cccc(C)c1OC[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	919923576	INJNRNRQMUXZIM-HXUWFJFHSA-N	411.546	3.749	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3cc(Cl)ccc3OC)CC2)cc1	1318757417	PIVITOQUMCCKPF-UHFFFAOYSA-N	417.937	3.822	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H]2C2CC2)cc1	1847480278	BLUORHXNQGKOKG-KIHHCIJBSA-N	417.553	3.956	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1	7220031	DCNJURBUELGOAG-UHFFFAOYSA-N	421.522	3.971	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)CCCN(C)Cc3ccncc3)ccc21	560596238	LUQVLVIGQDBVNV-UHFFFAOYSA-N	422.573	3.894	10	20	HHCD	
Cc1cccc(C)c1OC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	726240808	ZWJDFTGMEDYAJV-WOJBJXKFSA-N	411.546	3.968	10	20	HHCD	
COc1ccc(CC[C@@H](C)NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726614872	VVBLKKFYXRROIX-GOSISDBHSA-N	411.546	3.993	10	20	HHCD	
O=C(COC(=O)c1cccc(F)c1F)Nc1cccc2c1C(=O)c1ccccc1C2=O	726681422	PNQDQEQJWBVGSC-UHFFFAOYSA-N	421.355	3.536	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	728697449	GKGYYNANOMUCIA-LDADJPATSA-N	419.368	3.988	10	20	HHCD	
CC(=O)NCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1	728839425	NGYADACGVLCRGE-UHFFFAOYSA-N	407.436	3.593	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2ccc(F)cc2F)C1	730118148	TUFZUVXBTOTVAA-GOSISDBHSA-N	400.473	3.643	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H](C)S(=O)(=O)c3ccc(F)cc3)cc2)CC1	731014898	BMADVIZBAPWBPQ-KRWDZBQOSA-N	418.534	3.541	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1F	731402925	PGNDDUVTNIDKCX-UHFFFAOYSA-N	400.498	3.624	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)ccc21	732008249	ULRNHSFZDRRHRY-OAHLLOKOSA-N	417.550	3.890	10	20	HHCD	
CCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H](C)CS(C)(=O)=O	732985356	QLKCLNRXYKHRQH-INIZCTEOSA-N	402.520	3.796	10	20	HHCD	
COC[C@H]1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1	733178042	ZKWINIJFXUYOOX-LUYJPIOASA-N	424.613	3.615	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(Br)cnc2N(C)C)cc1	733217430	KJZMWQXVZBZNDA-UHFFFAOYSA-N	405.340	3.686	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C	734667439	FGEXNFOQYIWTMX-IBGZPJMESA-N	408.506	3.703	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc(NC(C)=O)c1OC	743431117	RDEZDLUSVOMXNX-UHFFFAOYSA-N	424.453	3.803	10	20	HHCD	
Cc1ccc([C@@H](C)C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1	745661758	BULXQBOVQXSNBU-CQSZACIVSA-N	417.417	3.649	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCCN(C(C)C)C1	745804720	NKKSOQLPVMOSJT-HNNXBMFYSA-N	412.372	3.807	10	20	HHCD	
CCCN(C)C[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745906384	ZTMMHSQQLJKKFE-MSOLQXFVSA-N	424.536	3.630	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc(N4CCCC4)cc3)ccc2NC1=O	745929102	BBFWVYDIAPJCKO-KKSFZXQISA-N	422.529	3.957	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Br	746858029	GANFJVGXSGRQSJ-UHFFFAOYSA-N	417.347	3.896	10	20	HHCD	
CC(=O)N1CC[C@](C)(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1	747091286	KQFMNFSCBSRUFC-DEOSSOPVSA-N	410.514	3.695	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@@H](NCc3cc(-c4ccccc4)ccc3O)C2=O)c1	748098494	GBDQEHJOCNOFES-HSZRJFAPSA-N	418.493	3.972	10	20	HHCD	
Cc1cc(N2CCC(NC(=O)c3sccc3-n3c(C)ccc3C)CC2)nc(C)n1	749518873	LEUWAQSOYCHNOL-UHFFFAOYSA-N	409.559	3.961	10	20	HHCD	
Cc1nn(CN(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c2ncc([N+](=O)[O-])cc12	749950005	ICEOEZNORYJLFU-UHFFFAOYSA-N	422.411	3.736	10	20	HHCD	
CN1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21	750780857	WJYSMSCIBNDWHM-OXJNMPFZSA-N	415.484	3.997	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1O	750819558	QVDAHNBWONAAKR-UHFFFAOYSA-N	404.869	3.735	10	20	HHCD	
O=S(=O)(NCc1ccccc1O)c1ccc(Br)c(C(F)(F)F)c1	751148888	ADWDOPYYTFWRJZ-UHFFFAOYSA-N	410.211	3.652	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2sc(C)cc2Br)c1	751319112	SSWLSHVWGOEHKJ-SECBINFHSA-N	406.323	3.573	10	20	HHCD	
C[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)cc1O	756360359	RYYDZAFEBJUZRJ-DNVCBOLYSA-N	405.336	3.879	10	20	HHCD	
CC(=O)N(Cc1ccc(NC(=O)NCCCSc2nccs2)cc1)C1CC1	758610799	OLDUERADDWMCBL-UHFFFAOYSA-N	404.561	3.958	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nc(C)co3)c2)cc1F	759030956	JANYBTILPBSLOP-UHFFFAOYSA-N	424.476	3.890	10	20	HHCD	
CCCn1nc(C)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C	759775709	VLWOOHLKJCJPQT-UHFFFAOYSA-N	406.477	3.910	10	20	HHCD	
CC(C)Oc1ccc(N(C)CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cc1	759934543	XYICHRWWNMKJTK-UHFFFAOYSA-N	424.480	3.541	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(Cl)nc3)cc2F)C[C@H](C)O1	760744091	PZEOHFNKDDDMAM-GJZGRUSLSA-N	420.916	3.530	10	20	HHCD	
Cc1noc(C[C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)c2ccccc2)n1	760756811	DBBQSUGCOWVQFO-HXUWFJFHSA-N	401.470	3.894	10	20	HHCD	
COc1ccccc1[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccn1	760833115	ZEPQINUEUHJMDU-QFIPXVFZSA-N	408.477	3.884	10	20	HHCD	
CC1CCN(C2CCC(NC(=O)NCc3cccc(Br)c3O)CC2)CC1	765531523	CDGBQTMZZDXCCD-UHFFFAOYSA-N	424.383	3.997	10	20	HHCD	
CC(=O)Nc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	766760934	LQWMHUIQASMSSJ-QGZVFWFLSA-N	417.456	3.574	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1OC	768443551	GJYQZZGLFMZAGN-HNNXBMFYSA-N	413.449	3.978	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c(C)n1-c1ccccc1Br	768444140	DMHVVYOGXXWVHP-YEBMWUKDSA-N	411.365	3.696	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3c(c2=O)CCC3)c(C)n1-c1ccc(OC(F)F)cc1	768814100	PPLVFFGSPDVYJC-UHFFFAOYSA-N	413.424	3.624	10	20	HHCD	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(O)c(O)c2)cc1	768917278	HPUBHGRULLMKSY-UHFFFAOYSA-N	415.449	3.889	10	20	HHCD	
CCn1nc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c2ccccc21	769723015	JAHOJLATHLUDAB-BOPFTXTBSA-N	408.508	3.561	10	20	HHCD	
COc1ccc(N2CCN(CCCNc3nc(C(F)(F)F)cs3)CC2)cc1	770446932	UGTLOPSMYINWFY-UHFFFAOYSA-N	400.470	3.795	10	20	HHCD	
Cc1sc2ncnc(SCCC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2c1C	773741138	SBOQRENLDWILNC-NSHDSACASA-N	417.556	3.949	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CCN1C(=O)OC(C)(C)C	774910512	CFJPSMWGJFKSCJ-KBPBESRZSA-N	414.597	3.713	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(CNCc3cc(Cl)cc(F)c3O)cc2)C[C@@H](C)O1	776059308	XTVRXSOHWITUIE-OKILXGFUSA-N	406.885	3.724	10	20	HHCD	
COc1cc(O)c(CNC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1OC	776155154	ZVBRDUBHCXKKLM-UHFFFAOYSA-N	423.513	3.819	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC(O)(C(F)F)CC1	779207538	ZHJGFHFZOOBZNS-UHFFFAOYSA-N	415.072	3.509	10	20	HHCD	
CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)nn3C)SC2=S)c1	779220519	DKAGJWQLWBJOKW-JYRVWZFOSA-N	424.345	3.987	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(O)(c2c(F)cccc2F)CC1	779574431	HBJIHEIJVLEBMV-UHFFFAOYSA-N	403.473	3.532	10	20	HHCD	
Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784060431	ZLLLZWOAFXVJHS-UHFFFAOYSA-N	409.534	3.964	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)CCCc3ccccc3)cc2)CC1	786260026	UTXKVZZVKZJHSN-HXUWFJFHSA-N	407.558	3.630	10	20	HHCD	
CCN(CCCN1CCCC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	788324689	XTOKKBUYWFTUPY-GOSISDBHSA-N	424.536	3.774	10	20	HHCD	
COC(=O)c1csc(-c2cccc(CNCc3ccc(N4CCOCC4)cc3)c2)n1	790995002	HFJOPXJVFIQQDW-UHFFFAOYSA-N	423.538	3.723	10	20	HHCD	
CCN(CC)c1ccc(CN[C@H](C(N)=O)c2cccc(Br)c2)cc1F	793265800	LMPTZJAXDDBXPB-SFHVURJKSA-N	408.315	3.751	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F	794348511	RKITZBPVSOHSMP-OLVMAOTFSA-N	401.768	3.633	10	20	HHCD	
Cc1ccc(CS(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(F)c1	795075455	ZIIBNNGIXDWLNL-IYBDPMFKSA-N	424.513	3.506	10	20	HHCD	
Cc1cnn(C)c1S(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1	795289442	HEXGTEASZQATFC-UHFFFAOYSA-N	400.485	3.512	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)C1=Cc2ccccc2OCC1	805134540	BXAFSZCPPLDSMS-UHFFFAOYSA-N	400.283	3.942	10	20	HHCD	
CC(C)c1ccc(CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C2CC2)cc1	807290488	WTEJVTPCBTWDHS-UHFFFAOYSA-N	417.553	3.994	10	20	HHCD	
O=C(CNC(=O)Nc1cccc(Cl)c1)NCc1cc(Cl)cc(Cl)c1O	857507963	KUJGYADKJPCGJD-UHFFFAOYSA-N	402.665	3.790	10	20	HHCD	
COc1cc(C)ccc1NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	917828230	CZAXIMGTBNSMBV-UHFFFAOYSA-N	400.434	3.830	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(N2CCOCC2)cc1	920920565	NKSSPJNMFVSUNR-YKSBVNFPSA-N	422.573	3.721	10	20	HHCD	
CCN(CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccc(OC)c(OC)c1	921061575	HEVMMKNKIXRCNF-INIZCTEOSA-N	416.518	3.733	10	20	HHCD	
CC1(C)CCc2nc(O)c(C(=O)NCc3ccc(N4CCSCC4)cc3)cc2C1	1253393882	ZGFJVYOOQZEHSC-UHFFFAOYSA-N	411.571	3.785	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCCN4CCC[C@@H]4C3)cc2Cl)C1	1256619253	AMGVKFIQKUZGCT-PKOBYXMFSA-N	404.986	3.956	10	20	HHCD	
Cc1cccc2c(=O)nc(/C(Cl)=C\c3ccc(N4CCN(C)CC4)c(F)c3)[nH]c12	1317893501	JZZSQSKRELDVMA-SFQUDFHCSA-N	412.896	3.859	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3nc(C4CC4)n(-c4ccccc4)n3)CC2)cc1	1318167074	FVCCVTSWMFRHNZ-UHFFFAOYSA-N	417.513	3.552	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H]2CCCS2)C3)cc1	1845399514	GYFKGPHAYOQNDK-OAQYLSRUSA-N	423.582	3.807	10	20	HHCD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	24192817	OAPVQCCUZKMHEH-INIZCTEOSA-N	415.515	3.571	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	47338565	DZWIVEDDTZEKDX-UHFFFAOYSA-N	418.881	3.779	10	20	HHCD	
CC(C)CC(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	110562979	NZMCIEVHEOUKIU-NTKDMRAZSA-N	423.557	3.604	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2[nH]c(C(F)F)nc2c1	111034967	GQXULBRIOZKEGJ-UHFFFAOYSA-N	400.429	3.609	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)SC2=S)cc1	212056847	PAINCMOPQIEUEJ-BOPFTXTBSA-N	414.508	3.622	10	20	HHCD	
COc1cccc(CNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1O	237377889	WMDGODILRUZJAB-GOSISDBHSA-N	410.436	3.583	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	539761758	RKLFEDZTGPGATK-GFCCVEGCSA-N	410.440	3.657	10	20	HHCD	
CN1CCN(C(=O)c2ccc(CNCc3cc(-c4ccccc4)ccc3O)cc2)CC1	725845690	GFZHIUJUWKIBQS-UHFFFAOYSA-N	415.537	3.737	10	20	HHCD	
O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726609296	QOIUMLWPMSOMKU-UHFFFAOYSA-N	406.389	3.987	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3c(C)[nH]c4ccccc34)CC2)cc1	726983669	VAJWJRBLTKZGQX-UHFFFAOYSA-N	406.530	3.949	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(-n3ccnc3)cc2)SC1=S	727176004	CQRFNCAAHHMARM-GZTJUZNOSA-N	400.573	3.661	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cccc(F)c4F)n3)ccc2N1	727245537	BZQBQPJMXMXGGB-UHFFFAOYSA-N	421.450	3.774	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(NC(=O)c2ccncc2)cc1	733847911	HAZFEKIJFOQNLW-MRXNPFEDSA-N	404.470	3.942	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](CN1CCCCC1)c1ccccc1	734268939	CFXWIFATTOGPDO-DEOSSOPVSA-N	422.573	3.550	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(c2cccc(F)c2F)CC1	734524390	AUTHYLOBVVLWIT-UHFFFAOYSA-N	400.473	3.597	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1	734547205	KYEMSSTVBXHWGO-PXNSSMCTSA-N	420.431	3.979	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3c[nH]nc3-c3cccc(OC(F)F)c3)ccc21	742597385	XJRSLJAUMLXYNG-UHFFFAOYSA-N	412.440	3.991	10	20	HHCD	
O=C(CSCc1ccccn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806679	UTEAXSVYYZQEKK-HNNXBMFYSA-N	407.486	3.701	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cc(C(C)=O)ccc1OC	743809597	YVCBYKFCVNUEMC-UHFFFAOYSA-N	420.303	3.957	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1Cn1cncn1	745470155	USHBGHBNDUYGFT-UHFFFAOYSA-N	406.534	3.513	10	20	HHCD	
Cc1csc([C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)n1	745863633	HXNOTZKMSWGZSH-PKOBYXMFSA-N	401.532	3.999	10	20	HHCD	
COC(=O)[C@H](c1cccnc1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	746514107	STHJJNVLQCYDHQ-FQEVSTJZSA-N	411.502	3.773	10	20	HHCD	
Cc1cc(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)n1-c1ccc(Cl)cc1	747217955	VGDZRCMWVNWOSY-NRFANRHFSA-N	409.917	3.503	10	20	HHCD	
C[C@H](NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	747366697	KTWBGZZQMWGJAU-FDDCHVKYSA-N	411.521	3.504	10	20	HHCD	
CCC(CC)N(C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)C1CC1	749541132	CRWMZVMTWWYFNQ-UHFFFAOYSA-N	402.583	3.570	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c1O	750046262	VYOMDRQIGHVOGN-HNNXBMFYSA-N	401.894	3.802	10	20	HHCD	
COc1cn(-c2ccccc2)nc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751306885	ZJBFBGVBPCOKCU-UHFFFAOYSA-N	410.437	3.843	10	20	HHCD	
CC1CCC(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1	751931861	UKSGTMZUWRXRGV-UUCFBXCCSA-N	401.532	3.556	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	753640048	GZQZOLAAHBYGSS-INIZCTEOSA-N	414.465	3.707	10	20	HHCD	
Cc1ccc(C(=O)NCCN[C@@H](C)c2cc(Br)cc(F)c2O)cc1F	756394171	ANVIOMIFLZFBJF-NSHDSACASA-N	413.262	3.822	10	20	HHCD	
C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@H](C)c1ccc(Cl)c(Cl)c1O	756590515	NSHZJJSSYYTOCM-LSDHHAIUSA-N	409.361	3.955	10	20	HHCD	
COC(C)(C)CN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	758861916	RILBXDVHXMHQHY-KAMYIIQDSA-N	412.602	3.613	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	759669078	GOUXUSGHOJYXPQ-LADGPHEKSA-N	413.537	3.807	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)ccc3F)CC2)cc1F	760731555	JXKDVJFPILWJKX-UHFFFAOYSA-N	400.347	3.955	10	20	HHCD	
CN1C(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)C12CCCCC2	761638548	XJLVIPHVVQVIDV-INIZCTEOSA-N	407.461	3.854	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1	761972029	FTHUUFRTFUQAIU-LIRRHRJNSA-N	400.475	3.844	10	20	HHCD	
CC(C)(CO)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1	762230180	GAIHZHUPASWREY-GOSISDBHSA-N	416.905	3.612	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COC/C=C/c3ccccc3)cc2F)C[C@@H](C)O1	763281581	NQUXQCWAEIHHRX-QFDSWDFVSA-N	412.505	3.786	10	20	HHCD	
O=C(c1ccccc1Cl)N1CCC(NCc2ccc(N3CCOCC3)cc2)CC1	765283288	UBMSAIIWVQBUJR-UHFFFAOYSA-N	413.949	3.571	10	20	HHCD	
COc1cc(OC)c(OC)cc1NC(=O)NCc1cccc(Br)c1O	765317309	WFPWHDJXIISJQT-UHFFFAOYSA-N	411.252	3.502	10	20	HHCD	
Cc1ccc(N2CCC[C@H](N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1	766197072	FIKYFGOMYXGYFQ-AVRDEDQJSA-N	411.521	3.817	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc(OC[C@H]2CCOC2)c(F)c1	767692501	XDHUYBRLDAKCAO-INIZCTEOSA-N	420.506	3.642	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN([C@@H](C)c3nccs3)CC2)cc1	768255207	AWNMCXBHQJPXRW-KRWDZBQOSA-N	401.580	3.578	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@@H](c2c(F)cccc2F)C1	768924445	UAYNFOUAFMNPKH-MRXNPFEDSA-N	419.447	3.640	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccoc3Br)cc2F)C[C@@H](C)O1	770235078	CTCJGPRKZVVMQN-VXGBXAGGSA-N	411.271	3.725	10	20	HHCD	
CCOc1cccc(CN2CCCN(Cc3csc([C@H](C)OC)n3)CC2)c1O	770288769	OVWKRHWMDGMFOX-INIZCTEOSA-N	405.564	3.663	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc2nc(C(F)F)[nH]c2c1	772115178	XZALFNGLEBQIAM-UHFFFAOYSA-N	406.776	3.828	10	20	HHCD	
CN1CCN(CCCN(C)C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	772694783	VPLVXHUMVANTTI-UHFFFAOYSA-N	422.577	3.878	10	20	HHCD	
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773018241	YHWRFKGPOPPIBO-GJZGRUSLSA-N	403.523	3.829	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H](C[C@@H]2CCOC2)C1	773505028	KNZOTFWFMLZDTM-UXHICEINSA-N	403.592	3.588	10	20	HHCD	
CC[C@H](NCC(=O)NCc1ccc(OC)cc1)c1cc(Br)ccc1O	775498140	XQTWOEYJSXYILU-KRWDZBQOSA-N	407.308	3.520	10	20	HHCD	
COc1cccc(CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)c1O	778916092	YXKAGWWSUCLKKY-UHFFFAOYSA-N	421.222	3.887	10	20	HHCD	
COCCO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1	781700245	KDRHRZQVBZDPMA-SFHVURJKSA-N	421.335	3.734	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)N2C[C@@H]3CCCN3c3ccccc32)C2CCCCC2)cc1	784058318	PLTGSRLLZDHUAR-NRFANRHFSA-N	418.541	3.950	10	20	HHCD	
COc1ccc(C(=O)CC(C)(C)CC(=O)OCC(=O)c2ccc(O)c(O)c2)cc1	784713533	PZGRFPTZMXSQQF-UHFFFAOYSA-N	400.427	3.522	10	20	HHCD	
C[C@@H](NC(=O)COc1cccc(I)c1)c1ccc(N(C)C)cc1	784894036	QJBCXLWZHMRUBZ-CYBMUJFWSA-N	424.282	3.613	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(NCC4CC4)nc3)cc2F)C[C@@H](C)O1	788288007	LXBMUNGYISOFCB-IYBDPMFKSA-N	412.509	3.586	10	20	HHCD	
C[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1O	788692376	RCIKPJCSWKMIIU-AWEZNQCLSA-N	408.420	3.985	10	20	HHCD	
CC(C)(C)Cc1csc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)n1	789372027	RQNOJPKQENTNGQ-UHFFFAOYSA-N	400.548	3.587	10	20	HHCD	
CN(c1ccc(CNC(=O)N(CCCO)Cc2ccccn2)cc1)C1CCCCC1	792940431	OJSNBHXKEZGYGY-UHFFFAOYSA-N	410.562	3.945	10	20	HHCD	
CCC[C@](C)(CC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	793161572	WIIDJDUCRRLRRA-QHCPKHFHSA-N	413.541	3.775	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)cc1	795291275	YJNRQNYPRZGSTO-UHFFFAOYSA-N	402.497	3.526	10	20	HHCD	
COC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C	798029227	PYLVOBWPVAHHSC-UHFFFAOYSA-N	412.490	3.674	10	20	HHCD	
CCOC(=O)C1CCN(C(=O)c2ccc(NCc3cc(F)ccc3O)cc2)CC1	798084746	CEQXCLOYHJBJKM-UHFFFAOYSA-N	400.450	3.559	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	798225403	VMDWAOHRCGXJHF-UHFFFAOYSA-N	415.874	3.664	10	20	HHCD	
Cc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)CC2CCCC2)c(O)c1O	805478474	VMJGVONCXFVPIH-UHFFFAOYSA-N	406.523	3.953	10	20	HHCD	
CC[C@@H](NCCNS(=O)(=O)c1cc(C)sc1C)c1cccc(Cl)c1O	806149175	PWOPPGOQNASYFG-OAHLLOKOSA-N	402.969	3.743	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC[C@@H]1c1cc[nH]n1	806877707	DRJCKLVDUCIQBF-HNAYVOBHSA-N	419.476	3.917	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1)c1ccc(N(C)C)cc1	807678147	VJULUIDUVQQEGM-MSOLQXFVSA-N	416.525	3.869	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1	809193602	SEAQURNPWFLXHI-YADHBBJMSA-N	407.558	3.629	10	20	HHCD	
Cc1cc(-c2nnc(Nc3ccn(C)n3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1	812399729	ADJRGRJFIKMGMK-SFHVURJKSA-N	417.517	3.866	10	20	HHCD	
CC[C@@H]1[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CCN1C(=O)OC(C)(C)C	813032909	WZWIYRBSVQZBCZ-IAGOWNOFSA-N	403.523	3.514	10	20	HHCD	
COc1ccc(CNC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)c(O)c1	816597096	DKBMGVHKBXHCLZ-UHFFFAOYSA-N	418.921	3.650	10	20	HHCD	
Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1S(=O)(=O)C1CCCC1	817472227	IKJFSSHFTWFWNQ-FLIBITNWSA-N	401.484	3.774	10	20	HHCD	
CCOc1nccc(C)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472980	PZWXQBUNYTWKFK-QGZVFWFLSA-N	403.910	3.542	10	20	HHCD	
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	914903489	MHEDFQMGDAFIHI-FUHWJXTLSA-N	421.497	3.920	10	20	HHCD	
Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)no1	918222682	WMSPEDYXHJNZTE-MRUHUIDDSA-N	416.497	3.782	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccnc1Nc1ccccc1F	919859862	IPRUXXIFBPYDHC-UHFFFAOYSA-N	406.461	3.731	10	20	HHCD	
O=C(CCc1ccc(OC(F)F)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	919969495	NUGVUCGXBJIDDV-UHFFFAOYSA-N	422.447	3.637	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1	920251803	RXJUEAFNMIGLLA-YPKPFQOOSA-N	421.541	3.836	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2F)CC1	1115862747	FWYQWENNUUXFHJ-RGEXLXHISA-N	413.543	3.983	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccc(F)cc1	1790293528	VLJKGLRUDBEIPS-UHFFFAOYSA-N	421.428	3.693	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1	303288711	AIWKNFZSWOUULB-PMACEKPBSA-N	416.610	3.610	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(CN4CCOCC4)cc3)ccc21	604847597	RMXHFIBKBQQPQA-UHFFFAOYSA-N	421.541	3.989	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)n(C)c2ccccc12	551120423	HRSWRRBZUMRAKZ-QGZVFWFLSA-N	407.514	3.768	10	20	HHCD	
O=C(NCCc1ccc(F)c(F)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1	803555764	KOHJWKITASENRD-UHFFFAOYSA-N	416.468	3.691	10	20	HHCD	
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	804005673	DUJLUFNISJZRIN-UONOGXRCSA-N	422.356	3.984	10	20	HHCD	
CS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	800459659	VFMIZWZSFXLXEQ-HXUWFJFHSA-N	414.531	3.940	10	20	HHCD	
CN1CC[C@H]2[C@H](CCCN2Cc2cc(Br)cc(Br)c2O)C1	809767531	NLLBSOHJODZRRR-ABAIWWIYSA-N	418.173	3.833	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2ccccc2SCc2c(C)noc2C)C[C@@H](C)S1(=O)=O	805396953	SOASJEVYGJYHRA-CZUORRHYSA-N	422.572	3.621	10	20	HHCD	
O=C(NCCCSc1nccs1)C1(S(=O)(=O)c2ccccc2)CCCCC1	813452423	VMEJKXQAEHTANT-UHFFFAOYSA-N	424.613	3.918	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3ccc(C(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1	813856007	WHECAEWDJYSUNV-KSZLIROESA-N	413.537	3.992	10	20	HHCD	
Cc1nc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)ccc1-c1ccccc1	810369695	WGMMTAYGFXXLSJ-UHFFFAOYSA-N	415.493	3.896	10	20	HHCD	
CCOc1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cc1OC	727863517	CTJBBTCORFIEEY-LDADJPATSA-N	400.525	3.933	10	20	HHCD	
COC[C@@]1(CN[C@@H](C)c2ccc(Br)cc2O)OCCc2ccccc21	810241739	DIQYAJKNVVRAOW-VBKZILBWSA-N	406.320	3.920	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](n4cccn4)C3)cc2Cl)C1	812909229	STZYIBMHPVOCMS-SJLPKXTDSA-N	401.942	3.929	10	20	HHCD	
COCc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1	727247815	ONUIFCHHPRAHOE-UHFFFAOYSA-N	402.497	3.692	10	20	HHCD	
O=C(NCc1ccccc1O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1	726237991	MIWDEFDIOPXBJJ-UHFFFAOYSA-N	408.420	3.959	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)N[C@H](C)c3ccccc3)cc2F)CC1	730157682	WEZZBIBFFLDWOC-QGZVFWFLSA-N	400.567	3.693	10	20	HHCD	
CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1nc(C)cs1	739588543	XWYQEPORHRIQQU-UHFFFAOYSA-N	421.434	3.802	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(Br)cc3)CC2)cc1	730126889	GRWQDHBQVSYNJL-UHFFFAOYSA-N	418.335	3.926	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc(C)c1OC(F)F	730855511	LTPWZCGSAKIWMR-UHFFFAOYSA-N	420.456	3.786	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CN(Cc3cccnc3)c3ccccc3)ccc21	735655262	CWECGJPCRYAMRI-UHFFFAOYSA-N	400.526	3.787	10	20	HHCD	
C[C@H]1CCCC[C@H]1OCCNC(=O)CN(Cc1ccco1)Cc1ccccc1O	732202487	SPHBNPZTVXQYSS-PGRDOPGGSA-N	400.519	3.699	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1	734016807	IMXOSOCWQRIJAP-UHFFFAOYSA-N	406.467	3.640	10	20	HHCD	
Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-]	919725383	YSGHWBKKZCVWLZ-UHFFFAOYSA-N	409.895	3.635	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)CCOc3ccccc3)cc2F)C[C@@H](C)O1	918219304	ADKHACKBZQKODI-HDICACEKSA-N	415.509	3.660	10	20	HHCD	
Cc1cc(CC(=O)NCCC(=O)Nc2ccccn2)c(C)n1-c1ccc(Cl)cc1	917131293	WFUCVUXEVQAUFD-UHFFFAOYSA-N	410.905	3.830	10	20	HHCD	
O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1	919968448	OWPIMJJNVSZSRY-UHFFFAOYSA-N	423.340	3.897	10	20	HHCD	
CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cc(Br)ccc1O	744426681	UFAYFKYWSSXVIS-UHFFFAOYSA-N	422.279	3.832	10	20	HHCD	
COc1ccc(NC(=N)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1OC	849069931	WDNSZNKKVGLVKL-GASCZTMLSA-N	416.497	3.593	10	20	HHCD	
Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	743559948	QTBVZWBDBPOUDE-ISKFKSNPSA-N	423.557	3.799	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1	748662868	XPNINXYWYFDYGD-SFHVURJKSA-N	413.518	3.610	10	20	HHCD	
CCO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1	743599562	GJKGDQYSYKSRHO-QGZVFWFLSA-N	415.538	3.745	10	20	HHCD	
Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1sccc1-n1c(C)ccc1C	919565751	KQVIIKKWBDJAKY-HNNXBMFYSA-N	400.504	3.690	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCN1C1CCCC1	749224960	YOALQWXBXKFRDJ-HXUWFJFHSA-N	407.505	3.780	10	20	HHCD	
CC[C@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc4c(c3)CCCN4C)ccc2NC1=O	745931285	IEWBNSJZNDEJHS-YCRPNKLZSA-N	422.529	3.739	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N3CC(C)(C)[C@H]3c3ccccc3)CC2)cc1	742940792	YCICZXUSTIBYAK-HSZRJFAPSA-N	422.573	3.610	10	20	HHCD	
CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCS1	751607689	UKYICLQOSTXHFI-UHFFFAOYSA-N	417.497	3.579	10	20	HHCD	
COc1ccccc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	921264064	KUHRXISBGYJWKB-HOTGVXAUSA-N	418.534	3.856	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-n3ccnc3)cc2)cc1	751406838	SFMHAXHSNLELCH-QHCPKHFHSA-N	404.514	3.760	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3c(F)c(F)cc(F)c3F)CC2)cc1	753039880	HJARGSWFUSOQFV-UHFFFAOYSA-N	411.399	3.674	10	20	HHCD	
CCCS(=O)(=O)Nc1ccccc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1	920436466	MWZSISDHKUSZJH-UHFFFAOYSA-N	417.575	3.957	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccccc2Cn2cncn2)nc1-c1ccccc1	758384288	MRAAGBWGXGYNDC-UHFFFAOYSA-N	411.512	3.559	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c(C)o1	754695211	VXAUGHLDKNOIHS-UHFFFAOYSA-N	412.876	3.952	10	20	HHCD	
C[C@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1ccc(Br)cc1O	756344912	UNQVUEGXNGNQJE-WMLDXEAASA-N	424.408	3.856	10	20	HHCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H](CC)CN1C(C)=O	752967631	OOUNVDIVIMFDRW-FGZHOGPDSA-N	414.594	3.854	10	20	HHCD	
CC(C)c1[nH]nc(C(=O)NCc2cccc(Br)c2O)c1Br	765770977	UOVNEZYUQWILGQ-UHFFFAOYSA-N	417.101	3.694	10	20	HHCD	
COc1cc(O)c(CN(CCCOc2ccccc2)C2CCOCC2)cc1OC	766028518	SWSKZBMITREXFF-UHFFFAOYSA-N	401.503	3.860	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnc([C@H]2CCCO2)s1	760741001	BEUPECAXUGNIQX-NVXWUHKLSA-N	421.950	3.748	10	20	HHCD	
COc1ccc(COCCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	760382113	LWDRRALCOSQSKG-IBGZPJMESA-N	412.530	3.706	10	20	HHCD	
O=C(Cc1csc(-c2ccccn2)n1)NCc1cccc(Br)c1O	765752684	YTEHQENLWVVSHH-UHFFFAOYSA-N	404.289	3.532	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	760420541	HCWVUGBTEFNZND-KSSFIOAISA-N	408.539	3.509	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)c2)CC1	767383402	OHJWVMJZOKGJKW-UHFFFAOYSA-N	415.921	3.894	10	20	HHCD	
CS(=O)(=O)CC1(CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)CC1	767426845	TUOLRHPYMNAFHO-VMPITWQZSA-N	413.539	3.802	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776238668	JWPQCTWBAXWWNT-UTKZUKDTSA-N	424.545	3.943	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1N(C)C(=O)c1cccs1	773748615	MYHGSMQHNAXLTJ-AWEZNQCLSA-N	410.495	3.797	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)OCCCO2	771069269	XWTJYOHZQILXFD-SFHVURJKSA-N	416.905	3.601	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCCOc2cc(Cl)ccc21	775728151	PUNREPIDCPZNGK-FQEVSTJZSA-N	415.921	3.890	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)C(C)C)c2)cc1F	770245131	XRHBGKFRGPOZKR-UHFFFAOYSA-N	406.523	3.784	10	20	HHCD	
C[C@](CO)(NCc1cc(Br)cc(Br)c1O)c1ccccc1	776175088	GVZWWNDXZXUNSK-MRXNPFEDSA-N	415.125	3.915	10	20	HHCD	
Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1	773021012	QMQUFTHEEZHREE-ZDUSSCGKSA-N	412.515	3.783	10	20	HHCD	
COc1cccc(OC)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	772701395	IGAIEVXXSIMRKA-UHFFFAOYSA-N	405.516	3.933	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CC[C@@H](O)[C@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	778252049	DVLWZSGLQJARLK-JOTOCRJQSA-N	406.473	3.969	10	20	HHCD	
COc1ccc(Cn2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)n2)cc1	779509347	LHBOUCATBDRDQE-UHFFFAOYSA-N	403.486	3.638	10	20	HHCD	
CCOC(=O)N1CCC([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	779668295	GQUOGISBYIWTFF-SFHVURJKSA-N	418.582	3.930	10	20	HHCD	
C[C@@H](CCc1ccco1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	775219917	MSUWMTVELFBCFV-SFHVURJKSA-N	423.513	3.605	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1	782032713	KBRMTZXRYHTPNU-HXUWFJFHSA-N	409.555	3.652	10	20	HHCD	
COC(=O)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(Br)c1	789129601	HDVVNRNYROHDDY-UVTDQMKNSA-N	409.305	3.692	10	20	HHCD	
COC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1	783483118	NOSPMCLLRKCWOU-INIZCTEOSA-N	417.465	3.788	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2c(=O)o1	797745196	XVTPFZYUVREDGP-KRWDZBQOSA-N	412.873	3.546	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCSC[C@@H]3c3cnn(C)c3)c2C)cc1	791382743	ZJKCZTBJNVIROP-OAQYLSRUSA-N	410.543	3.767	10	20	HHCD	
C[C@@H](NC(=O)NC[C@H]1CCC2(CCCCC2)O1)c1ccc(N2CCOCC2)cc1	790249022	JEUDXZZYXUNZTR-WIYYLYMNSA-N	401.551	3.765	10	20	HHCD	
CCOCc1cc(CN[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)ccc1OC	798088744	TXFWEYXZISCLIM-VGOFRKELSA-N	405.560	3.804	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c(O)c1	797390246	BAXVKECOSPPWJP-MRXNPFEDSA-N	420.465	3.796	10	20	HHCD	
C[C@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1ccc(N(C)C)cc1	798941496	ZFTYVTVYEVTMJG-AWEZNQCLSA-N	405.340	3.920	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1O	796463143	GBSVMVXHWHGBBQ-UHFFFAOYSA-N	422.456	3.552	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCc2ccccc2C(N)=O)cc1	791506165	DNVUHNFYXYAYIU-UHFFFAOYSA-N	405.498	3.606	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2cc3c(cc2C)OCO3)n1	795608703	VUFMHYWMCDHHEG-UHFFFAOYSA-N	404.469	3.657	10	20	HHCD	
Cc1nc(COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(C)s1	1321043487	QXMFKNHTHVTABN-UHFFFAOYSA-N	424.525	3.685	10	20	HHCD	
CC(C)n1ncc2c1[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CCC2	1320383075	CQBXHPBTUBVGFY-UXHICEINSA-N	412.534	3.938	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H](C(=O)OC(C)(C)C)c3ccccc3)cc2F)CC1	1334681404	PDPFCJHETDYLSP-QFIPXVFZSA-N	413.537	3.750	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	26763587	AQEYNNYHFDMWDD-YBEGLDIGSA-N	419.846	3.811	10	20	HHCD	
C[C@@H](NC(=O)NCCCOCCc1ccccc1)c1ccc(N2CCOCC2)cc1	65434069	MVBIMTVAXJWYSC-HXUWFJFHSA-N	411.546	3.533	10	20	HHCD	
COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCCC[C@@H]5CO)ncn4)CC3)c2c1	302090164	GJSAOEUXFJDFDV-GOSISDBHSA-N	419.529	3.611	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1F)C1CCCC1	808863376	HMDKAHQTBMNFSR-QFIPXVFZSA-N	411.521	3.898	10	20	HHCD	
CCCCN(Cc1nc(N)c2c(C(=O)OCC)c(C)oc2n1)Cc1ccccc1O	801595985	XUMVWGAITZQAGG-UHFFFAOYSA-N	412.490	3.798	10	20	HHCD	
CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807675642	ZGUKGQGEBFGNSR-ZWKOTPCHSA-N	411.546	3.732	10	20	HHCD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	807691712	QJCHPXXPQOUMNT-HXOBKFHXSA-N	405.542	3.683	10	20	HHCD	
CC[C@](O)(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1cccc(Cl)c1	800477864	JGIYQKPKRHGWCG-JOCHJYFZSA-N	402.922	3.731	10	20	HHCD	
COCCn1c(-c2ncccc2C)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	802469730	OMWIKDMNIFDDJD-UHFFFAOYSA-N	420.561	3.922	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1	809367762	QWAKFIHDGIXRKZ-LJQANCHMSA-N	422.573	3.579	10	20	HHCD	
Cc1c(CNC(=O)c2nnn(-c3cccc4cccnc34)c2C)n(C)c2ccccc12	471222028	ZXTGIRCFFDBECB-UHFFFAOYSA-N	410.481	3.854	10	20	HHCD	
CCOC(=O)[C@@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)Cc2ccccc21	472240282	NPVMTLGZOXOJBU-HXUWFJFHSA-N	405.498	3.859	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	802500414	OFDXNHWGVPVIDO-FQEVSTJZSA-N	409.534	3.591	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12	803323504	BGGSNGHSXMNMJM-UHFFFAOYSA-N	407.514	3.854	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2C(C)C)ccc1O	811705500	OAPVWJSCGCQNPO-UHFFFAOYSA-N	407.488	3.940	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2	818882211	NZFDLRWLKMILAU-XFFZJAGNSA-N	414.461	3.882	10	20	HHCD	
CC(F)(F)c1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	814462706	GLISFCLUPXAWQQ-UHFFFAOYSA-N	421.463	3.898	10	20	HHCD	
CC(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc1	810159618	BOYVXXFMRKHNCP-UHFFFAOYSA-N	407.436	3.990	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)NC(=O)CO4)ccc21	482880161	UCHRSBIGKMZXRV-OAHLLOKOSA-N	421.497	3.726	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1OCCc2sccc21	815655456	SIAXJEIOMQYWFI-ZHRRBRCNSA-N	414.571	3.523	10	20	HHCD	
C[C@H](NCc1cccc(Br)c1O)C(=O)Nc1cccc(N2CCCC2)c1	725851506	LRIXDDJVDLLDSB-AWEZNQCLSA-N	418.335	3.872	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C(=O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	727091679	KXJVLERUNRTKKK-ZIAGYGMSSA-N	404.869	3.592	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c1	729061308	AHZQWTMVMHDRPP-SECBINFHSA-N	413.257	3.532	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1	729327599	JAHNIRJWMKGWJK-UHFFFAOYSA-N	421.463	3.938	10	20	HHCD	
Cc1csc(CCCCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	727231009	WOWHDZQNZPVGER-SFHVURJKSA-N	403.548	3.871	10	20	HHCD	
COC(=O)NC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	729738021	INAWDLIRONFOPQ-UHFFFAOYSA-N	400.475	3.571	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cccc(C(=O)N(C)C)c2)c(C)n1-c1ccccc1	728642694	LPGNIWDBOHMHCG-UHFFFAOYSA-N	404.466	3.836	10	20	HHCD	
COc1ccc(N2CCC(NC(=S)Nc3cc(OC)ccc3OC)CC2)cc1	726493871	OXHFFNSRDXZWSD-UHFFFAOYSA-N	401.532	3.668	10	20	HHCD	
CSCC[C@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	737038021	WRAAVECODIRMRS-AWEZNQCLSA-N	419.513	3.825	10	20	HHCD	
Cc1ccc(Cc2cnc(NC(=O)NCCc3ccc(O)c(O)c3)s2)cc1F	734513036	FFYVDNKELYBMGT-UHFFFAOYSA-N	401.463	3.957	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cccc(OCCN(C)C)c3)cc2)CC1	731049559	BQXGGXKFXIKGBU-UHFFFAOYSA-N	424.589	3.863	10	20	HHCD	
COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccc(N4CCCC4)cc3)CCC(=O)N2C)cc1	734422375	UQYDQMBLZFNWLI-LADGPHEKSA-N	421.541	3.521	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2nc(C(F)F)[nH]c2c1	730079854	GGDUBNDCFSBLNL-UHFFFAOYSA-N	414.456	3.639	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H](Cc1ccccc1)C1CC1	736667717	POOAGQIMRPUNHM-JOCHJYFZSA-N	411.521	3.607	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ncc(-c2ccccc2)o1	916626219	DZVLLLLHFYNRLS-UHFFFAOYSA-N	406.486	3.520	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H](C)Oc3ccccc3F)CC2)cc1	743677652	DXJPTSXHPVOKRU-INIZCTEOSA-N	401.482	3.570	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCN(c3ccccc3OC)C2)cc1	749931804	MVSUZRZHQXPTBY-HXUWFJFHSA-N	410.562	3.867	10	20	HHCD	
CC(C)CN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CCCC1	746154319	RLNRKHVNLOGXAY-OALUTQOASA-N	419.585	3.956	10	20	HHCD	
Cc1nc(COc2ccccc2C(=O)NCc2ccc(N3CCCCC3)cc2)no1	742476069	JBGZRNPJLYUWOJ-UHFFFAOYSA-N	406.486	3.877	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cs1	743046213	PUVFROXJTOGJGT-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
O=C(COc1ccc(N2CCCC2=O)cc1)N(Cc1ccco1)Cc1ccccc1O	743430977	OMNZMANIJMPKOZ-UHFFFAOYSA-N	420.465	3.720	10	20	HHCD	
CN(c1ccc(CNC(=O)NCCCOC[C@H]2CCOC2)cc1)C1CCCCC1	740909793	KNCQSUCWCJTFRL-HXUWFJFHSA-N	403.567	3.698	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3ccc(O)cc3)cc2F)C[C@@H](C)O1	917254183	RVRUIVQSNWZLHM-GASCZTMLSA-N	404.507	3.553	10	20	HHCD	
CCN(CC(=O)Nc1cc(C)nn1-c1ccccc1F)c1ccc(OC)c(OC)c1	741782655	GADNEEIANJNHSI-UHFFFAOYSA-N	412.465	3.802	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c(C)n1-c1ccccn1	744692611	QPXBPVZBFDNOQB-UHFFFAOYSA-N	407.474	3.596	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@@H](OC)c3ccc(Cl)cc3)CC2)cc1F	753917318	CEUYBMZQKIFJKC-HXUWFJFHSA-N	421.900	3.707	10	20	HHCD	
COC1CCN(CCNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	750861724	YXWDRLIJUGDFDP-UHFFFAOYSA-N	403.954	3.517	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cccc(SC)c3)CC2)cc1F	753857794	RBIKTVBOLQFPCL-HNNXBMFYSA-N	403.523	3.705	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3cc(Br)cc(F)c3O)cn2)CCO1	756430470	IOUWDFFPEYVJSG-CHWSQXEVSA-N	424.314	3.765	10	20	HHCD	
C[C@H](NC(=O)NCc1cc(Cl)cc2c1OCC2)c1ccc(N2CCOCC2)cc1	754171165	ZXBSEENUDYUBFC-HNNXBMFYSA-N	415.921	3.672	10	20	HHCD	
C[C@H](NCc1ccc(Cn2cncn2)cc1)c1cc(Br)c(F)cc1O	756383641	YKUOWIVHXILCDC-LBPRGKRZSA-N	405.271	3.784	10	20	HHCD	
Cc1cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c(C)n1-c1nccs1	764419393	YUAUBFRQMCMZTM-ZSOIEALJSA-N	402.526	3.940	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc4oc(N(C)C)nc4c3)CC2)cc1	766164792	ZKDRDLNBCZJFBB-UHFFFAOYSA-N	409.490	3.693	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)c1	769972946	BBOHRLYBQZJMSB-XSSIKURBSA-N	414.527	3.862	10	20	HHCD	
C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N2CCCCC2)c(F)c1	765287243	SYMNXSTZLBFGPD-QGZVFWFLSA-N	419.566	3.917	10	20	HHCD	
Cc1ccc([C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)N2CCCC2)o1	761208829	NSFCEVNEWUAVBG-KRWDZBQOSA-N	417.893	3.548	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(NCc2c(O)cccc2Br)cc1	863991536	GIXZVEVBDUSMAH-UHFFFAOYSA-N	413.337	3.796	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2=Cc3cc(Br)ccc3OC2)c1	761981104	GGAAHLRUINSNFG-LLVKDONJSA-N	404.260	3.817	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCc2cccnc21	766760412	BJNFZTXBIONMJE-QFBILLFUSA-N	401.457	3.888	10	20	HHCD	
COc1ccc(CCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	768916821	UUHVPWDDCPMAKJ-IBGZPJMESA-N	402.922	3.768	10	20	HHCD	
COc1ccc(SC)c(OC)c1C(=O)NCc1ccc(N2CCSCC2)cc1	775660589	FTGPULLGGCFGGZ-UHFFFAOYSA-N	418.584	3.909	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1	779363455	DYMALUNRUDOOJZ-UONOGXRCSA-N	414.597	3.570	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C[C@@H](O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	772609755	OUWIICSRKCYZLE-LRAJWGHMSA-N	420.912	3.833	10	20	HHCD	
C[C@@H](NC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	773627552	OUGLXOMXLFIGNS-APWZRJJASA-N	404.555	3.855	10	20	HHCD	
C[C@H](NC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(N(C)C)cc1	773622585	GTKCSLBGMZVQPX-SFHVURJKSA-N	409.578	3.848	10	20	HHCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCO1	778754773	WCYCGQXEEJZZBQ-UGKGYDQZSA-N	403.567	3.947	10	20	HHCD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)Cc1cc(Cl)cc(F)c1O	775642303	JUZPSJOCOJTYHE-UHFFFAOYSA-N	421.856	3.873	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c(O)c1O	780923613	VUZFOPXCHIJRTO-UHFFFAOYSA-N	402.248	3.666	10	20	HHCD	
COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(C)c(O)c2O)c1	780995101	IJAGVKKJRSOFAU-NRFANRHFSA-N	407.466	3.791	10	20	HHCD	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785422124	IVXWCLOWCASITA-CYBMUJFWSA-N	408.329	3.895	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1	784108020	FBPATVSOYNVRIN-UHFFFAOYSA-N	420.513	3.558	10	20	HHCD	
COc1cc(N(C)Cc2cn(-c3ccc(F)c(Cl)c3)nn2)cc(OC)c1OC	782932437	NTEOSFCXEBEDQY-UHFFFAOYSA-N	406.845	3.722	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1F	780429007	IICGWHMAUKHQQH-BEFAXECRSA-N	419.463	3.955	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1	782716629	NTELWSPDSLWIDQ-UHFFFAOYSA-N	424.545	3.668	10	20	HHCD	
COc1cc(O)c(CNCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1OC	783710478	OQZIAQOECGNLKE-UHFFFAOYSA-N	414.502	3.950	10	20	HHCD	
COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1	793406370	SAKXGSNGPJSYCT-UHFFFAOYSA-N	407.488	3.558	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccc4c(c3)OCC(=O)N4)cc2F)C[C@@H](C)O1	796695032	NFZQCWQSSOFSFH-BZUAXINKSA-N	413.493	3.621	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(OCCS(C)(=O)=O)c2)c(C(F)(F)F)c1	792867574	KQOAKTJEXVCWKD-UHFFFAOYSA-N	416.465	3.807	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(OC)c(F)c1	791245838	FTVHWVLMQKXTTC-UHFFFAOYSA-N	402.466	3.837	10	20	HHCD	
C[C@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1cc(F)cc(F)c1O	798941130	UFTHOVAZPWNKBV-JTQLQIEISA-N	414.250	3.838	10	20	HHCD	
COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1	794003018	UZLZTJAPPZCRDL-UHFFFAOYSA-N	418.496	3.544	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3c(C)ncnc3O)c2C)c1	1318012216	KBJVGOWKVICZKY-UHFFFAOYSA-N	407.470	3.565	10	20	HHCD	
O=C(C1CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830735977	ZZTKBHZDTTUVGU-SFHVURJKSA-N	420.937	3.785	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1csc(-c2cccs2)n1	7076271	SGIOXDUJFIIQIY-UHFFFAOYSA-N	415.540	3.753	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)CN3CCC(O)CC3)c2C)ccc1Br	26858809	XESKRXFEJXPQTP-UHFFFAOYSA-N	405.336	3.804	10	20	HHCD	
O=C(COC(=O)[C@]12CCC(=O)N1CCS2)Nc1ccc(N=Nc2ccccc2)cc1	254565699	AMUPTLJEYCMWKG-OAQYLSRUSA-N	424.482	3.649	10	20	HHCD	
CCOc1ccc([C@@H]2CCCN2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	302758227	NGONXGMXUCMHPU-DEOSSOPVSA-N	423.557	3.580	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(Cn4cncn4)c3)ccc21	483319408	AVCUTHXOVOCLIT-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
CC(=O)c1cc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)ccc1[N+](=O)[O-]	557671208	NRCKARPQYPGCBY-UHFFFAOYSA-N	419.437	3.620	10	20	HHCD	
CC[C@@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	702617196	ZUNFDRQPBWOZQS-CTNGQTDRSA-N	419.363	3.832	10	20	HHCD	
COc1ccc(OCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726566357	WDMKUEFZOYZYMW-UHFFFAOYSA-N	420.456	3.851	10	20	HHCD	
CC(C)(Cc1ccccc1Cl)NC(=O)NCc1ccc(N2CCOCC2)cc1	728750539	LJTHPWVKWOVFBH-UHFFFAOYSA-N	401.938	3.997	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1	728839580	RXODKGOSJFABAL-SFHVURJKSA-N	406.404	3.945	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1F	731402463	WOUYIEFTQKKVTC-QFIPXVFZSA-N	416.541	3.783	10	20	HHCD	
COC(=O)c1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1	731623233	ZBHXELKMOFYPLH-QHCPKHFHSA-N	424.541	3.680	10	20	HHCD	
CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1	731975797	GKOJJKKTMRJDPV-UHFFFAOYSA-N	406.442	3.738	10	20	HHCD	
O=C(c1cccc(Br)c1O)N(Cc1ccccc1O)C[C@H]1CCCO1	735519087	OFBOTNDJHHWJRY-CQSZACIVSA-N	406.276	3.682	10	20	HHCD	
O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccc(N2CCC(CO)CC2)cc1	735828608	AVDJOQVXGDIGBG-UHFFFAOYSA-N	418.537	3.989	10	20	HHCD	
COC(=O)c1cc(Cl)cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	737016863	AOVVIJGIQHNGSI-UHFFFAOYSA-N	417.893	3.926	10	20	HHCD	
O=C(NCCOc1cccc(C(F)(F)F)c1)NCc1ccc(N2CC=CC2)cc1	740905420	IXBXVICZQLZEDZ-UHFFFAOYSA-N	405.420	3.960	10	20	HHCD	
CCCCCC[C@@](C)(CC)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	742560186	BGMIFQILKOTOON-JOCHJYFZSA-N	408.608	3.924	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CCC(F)(F)F)NC(=O)OC(C)(C)C)cc1	742751968	YHTHELILLSEJKV-OAHLLOKOSA-N	403.445	3.777	10	20	HHCD	
O=C(CCOc1ccc(Cl)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	746010323	FAHDJUCMAXRYCK-UHFFFAOYSA-N	406.885	3.526	10	20	HHCD	
O=C(CCOc1ccccc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1	746011704	ZGXXFAMITBPKMW-UHFFFAOYSA-N	406.885	3.526	10	20	HHCD	
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccc(N(C)C)c(F)c3)C2)c1	746802938	GCTKOOSBQSTNBT-IBGZPJMESA-N	411.521	3.677	10	20	HHCD	
CNC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	747967799	YRZNRZKVQHBFDX-BBRMVZONSA-N	421.488	3.581	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1c2ccccc2C[C@H]1C	751930440	FJGNOZUYMCGRLH-HUUCEWRRSA-N	421.522	3.839	10	20	HHCD	
O=C(CN[C@H](c1ccccc1)C(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1	752151651	KAMHWDRUPDWIKV-GHTZIAJQSA-N	422.447	3.793	10	20	HHCD	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	753644381	LLIAVMNDCGBRPI-GFCCVEGCSA-N	417.868	3.805	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2ccc(OCC(F)(F)F)c(F)c2)SC1=S	757918776	FAAQYOVKFOJXFP-KPKJPENVSA-N	423.409	3.833	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	757958489	HQGACJQNVIRUKE-UGKGYDQZSA-N	412.917	3.962	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)cc1	759526522	VPRPYAPWMWXRTO-UHFFFAOYSA-N	421.538	3.880	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2csc(-c3ccccn3)n2)cc1	762637397	RKTYAGVQYVHGDR-UHFFFAOYSA-N	423.542	3.648	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3ccc(-n4cccn4)cc3)CC2)cc1	764683595	MATJSNBZPIKBEA-NRFANRHFSA-N	419.573	3.744	10	20	HHCD	
C[C@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(N2CCCCC2)c(F)c1	764882588	NLIFROSTOMWYAX-WMZHIEFXSA-N	411.565	3.886	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@@H](c3ccccc3)C3CC3)CC2)cc1	765547703	NFUQSRHIKBUAKQ-DEOSSOPVSA-N	407.558	3.517	10	20	HHCD	
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	766550756	SEHIYPOOGUFNNL-FQEVSTJZSA-N	421.501	3.900	10	20	HHCD	
C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	767774877	RWKDATVUNVQDCO-AHRSYUTCSA-N	422.525	3.541	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O	768828411	YQDQRFWNGYXRDD-NHCUHLMSSA-N	407.341	3.920	10	20	HHCD	
O=C(Nc1cc(Cl)ccn1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769755333	XMWWNXNQYZDQET-UHFFFAOYSA-N	409.876	3.555	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)NCCc2nc3ccccc3s2)C2CC2)cc1	771790263	ALNVJEWEKFTISR-UHFFFAOYSA-N	408.571	3.686	10	20	HHCD	
COc1cccc(CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)c1O	772725469	WDLSJDZCMMZSRK-UHFFFAOYSA-N	422.300	3.795	10	20	HHCD	
C[C@H](NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1)c1ccc(N(C)C)cc1	773013320	KEBCWRQGVJPQFX-ZDUSSCGKSA-N	404.536	3.725	10	20	HHCD	
C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1	773208010	FDITZAFETLIQFR-VAMGGRTRSA-N	424.589	3.922	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnn(C)c3-c3ccccc3)cc2F)C[C@H](C)O1	775480060	BDNSJYCMXQTSGZ-IRXDYDNUSA-N	422.504	3.770	10	20	HHCD	
CN(C)CC1CCN(Cc2cc(Br)cc(Br)c2O)CC1	775652975	XWGMMDQKXNDVOE-UHFFFAOYSA-N	406.162	3.691	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)CC2)cc1F	775774284	JGKFSPZBEKCCQG-KRWDZBQOSA-N	403.420	3.787	10	20	HHCD	
C[C@](O)(CNCc1cc(Br)cc(Br)c1O)c1ccccc1	776174924	JNUTYCAPXNVZOX-INIZCTEOSA-N	415.125	3.915	10	20	HHCD	
COc1c(F)cc(Br)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	776750437	DKBBWOQCIYDEAI-UHFFFAOYSA-N	410.648	3.757	10	20	HHCD	
O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNCc1cc(F)ccc1O	779079528	SNUFHJXXBQHYKP-UHFFFAOYSA-N	411.477	3.576	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Br)ncc1Cl	779589115	GPDCOOPMSBLZEZ-UHFFFAOYSA-N	424.726	3.606	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c2ccccc12	781271091	SKDKKGHIHDZSJE-UHFFFAOYSA-N	403.482	3.769	10	20	HHCD	
CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(F)c1O	781863699	LRDYRUJPULVHJM-SFHVURJKSA-N	401.438	3.623	10	20	HHCD	
C[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1c[nH]c2ccccc12	782724519	DMCGIOQQGWVSIF-HKUYNNGSSA-N	418.541	3.680	10	20	HHCD	
CC(=O)N1CCN(c2cccc(N[C@H](C)c3ccc(Br)cc3O)c2)CC1	783293032	FUPVHPUEWOJIIS-CQSZACIVSA-N	418.335	3.996	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1	784026278	VGMKGNPBVWDLCI-UHFFFAOYSA-N	419.481	3.744	10	20	HHCD	
CSc1c(F)cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1F	784719213	FJDWOHXSIRRKOD-UHFFFAOYSA-N	406.454	3.526	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1	787001417	PHGQDWMTOGPRLG-INIZCTEOSA-N	407.522	3.582	10	20	HHCD	
COC(=O)[C@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)[C@@H]1C	787241865	HRYZVJWEDFQCDS-PBHICJAKSA-N	407.466	3.857	10	20	HHCD	
Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	789595901	YYUCLPUBHZSJLD-UHFFFAOYSA-N	419.529	3.622	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(CNCc3c(O)ccc(Cl)c3F)cc2)C[C@@H](C)O1	790955158	BTEQTQMTYLCIFC-OKILXGFUSA-N	406.885	3.724	10	20	HHCD	
C[C@H](CCNC(=O)OC(C)(C)C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	793606663	WPWBPPIKQAITPO-MRXNPFEDSA-N	406.527	3.978	10	20	HHCD	
CC[C@H](NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccc(C)cc1O	794803123	PRHNRANTLHCWNG-FPOVZHCZSA-N	412.530	3.616	10	20	HHCD	
CCc1ncnc(NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1F	795228013	XQALXPOZYKZURQ-KRWDZBQOSA-N	403.502	3.922	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)c(F)cc1O	797041718	FUTDGLIJYPUZJX-CHWSQXEVSA-N	414.319	3.625	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3cccc(F)c3)cc2Cl)C1	800344285	PUAPSTICFSCXDY-OAHLLOKOSA-N	417.912	3.762	10	20	HHCD	
Cc1cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)C)c(C)n1-c1ccccc1	802673035	BUIVPFRXGJBTRF-IBGZPJMESA-N	420.561	3.710	10	20	HHCD	
CCOC1CC2(CCN(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)C2)C1	804970551	XZRCDUJDHODWCS-KOYRFULUSA-N	419.541	3.540	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H](CN1CCCC1=O)c1ccccc1	805181914	QSSJULHRYFWEEI-QGZVFWFLSA-N	422.312	3.862	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)c1ccc(F)cc1F	805316046	GODBKVUFXFDZKM-HNNXBMFYSA-N	404.457	3.719	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(-n2nc(C)cc2C)ccc1Cl	808095150	TVRBGSQLTZMMMB-UHFFFAOYSA-N	405.882	3.659	10	20	HHCD	
CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(N2CCOCC2)c(F)c1	809735855	VWAOPCGDILZTMT-QFIPXVFZSA-N	412.553	3.544	10	20	HHCD	
CCNC(=O)[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C(C)C	814389464	JCRDJMSOXSOMNR-BEFAXECRSA-N	408.974	3.536	10	20	HHCD	
C[C@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cc(Cl)c(F)cc3O)c2)C1=O	816602927	SCIUBIWENVSASN-OAQYLSRUSA-N	417.868	3.699	10	20	HHCD	
Cc1cc(C)cc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1	914702894	CLEWWTHJCNNBJG-UHFFFAOYSA-N	403.451	3.910	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1	915222561	KUASWMXXKGZUBV-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
COc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc(Cl)c1OCC(C)C	916616697	LWTCOWGPDAHPHJ-UHFFFAOYSA-N	408.834	3.834	10	20	HHCD	
O=C(Nc1ccccc1N1CCCC1=O)N(Cc1ccccc1O)C[C@H]1CCCO1	916673492	SPPBWLLPCRDYMA-GOSISDBHSA-N	409.486	3.732	10	20	HHCD	
CC[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1	917095028	WGEDWTORANTEQD-FQEVSTJZSA-N	419.928	3.673	10	20	HHCD	
Cc1cccc(Oc2ncccc2NC(=O)C(=O)N(C)Cc2ccccc2O)c1C	918444720	VBLSADUESKGSQX-UHFFFAOYSA-N	405.454	3.793	10	20	HHCD	
Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	919968679	NXVSYYBUCPGWRB-UHFFFAOYSA-N	408.542	3.791	10	20	HHCD	
C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(Cl)cc1	920867539	UPEYGBKBZCCDRR-IAGOWNOFSA-N	401.938	3.532	10	20	HHCD	
C[C@H](NC(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccc(N2CCOCC2)cc1	920871514	AZTODXXLSIZBSB-SFHVURJKSA-N	422.529	3.923	10	20	HHCD	
Cc1cc(S(=O)(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)c(C)s1	921058821	ZJGYDCTZUSNSHJ-UHFFFAOYSA-N	416.568	3.730	10	20	HHCD	
COc1cc(N2CCN(Cc3nc4c(s3)C[C@H](C)CC4)CC2)cc(OC)c1OC	1321083677	HMFRDJFPQFAMBI-OAHLLOKOSA-N	417.575	3.616	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)cc1	1321229297	CVUDOQXPRCXXIR-ZWKOTPCHSA-N	404.432	3.955	10	20	HHCD	
CC(C)N(CCCNCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)OC(C)(C)C	1321653370	IJYZRLHFDUADCG-UHFFFAOYSA-N	422.589	3.703	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H](CO)CC2CCOCC2)c1	1339273198	UXKIPAYEWOVUCJ-GOSISDBHSA-N	404.938	3.903	10	20	HHCD	
CNc1nnc(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)s1	17979574	XHDCUTUFHHIERD-UHFFFAOYSA-N	416.528	3.749	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCn2cnc3ccccc32)cc1	96956535	XDWNOUSAHSBQRC-OAQYLSRUSA-N	406.530	3.700	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(F)cc(Br)c3)CC2)cc1	110473304	YFAJXNIFHXNABS-UHFFFAOYSA-N	407.283	3.996	10	20	HHCD	
C[C@@H](NC(=O)Nc1cnc(-c2ccccc2)nc1)c1ccc(N2CCOCC2)cc1	140741977	XRZJDONFRNIOHM-QGZVFWFLSA-N	403.486	3.863	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3nnc(C(F)F)s3)cc2F)C[C@@H](C)O1	148425550	CLWOIXGBKVFRGD-AOOOYVTPSA-N	415.441	3.550	10	20	HHCD	
Cc1cccc(C(=O)N2CCCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)c1	472220516	HAVOXRZWQYTPRU-UHFFFAOYSA-N	418.541	3.853	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1sc(Br)cc1[N+](=O)[O-]	485894095	HKERJJTULWEUNE-UHFFFAOYSA-N	412.265	3.524	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]3[C@H]2[C@H]3C(F)(F)F)C1	683528823	AOKCPSOUNAYURR-JHVJFLLYSA-N	405.464	3.817	10	20	HHCD	
CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	726432777	VJZQWYGGXBEDNN-GFCCVEGCSA-N	420.494	3.501	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Cl)cc1	726603149	CSRUJFCGHYXJFH-UHFFFAOYSA-N	416.877	3.889	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3cc(F)ccc3OC)CC2)cc1	726612241	ZTNNNAMGOIWCRT-HNNXBMFYSA-N	401.482	3.872	10	20	HHCD	
COc1cccc2cc(/C=C3/SC(=S)N(c4ccc(C(N)=O)cc4)C3=O)oc12	726626986	JCOUDHLUSQKRCS-MHWRWJLKSA-N	410.476	3.946	10	20	HHCD	
COCc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)c1	727245822	FFZZPJUJKUWQRU-UHFFFAOYSA-N	418.496	3.544	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cccc3c2OCCO3)nc1-c1ccc(F)cc1	727246691	UEJIUHFPYAHHHA-UHFFFAOYSA-N	406.460	3.830	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2OC(C)C)cc1	727614307	KCKDNOXHGNTENG-UHFFFAOYSA-N	401.482	3.714	10	20	HHCD	
COC(=O)c1ccc2c(c1)CN(Cc1c(O)ccc(C(=O)c3ccccc3)c1O)C2	730254919	OADDGQFFRIXDQP-UHFFFAOYSA-N	403.434	3.631	10	20	HHCD	
COC(=O)c1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc([N+](=O)[O-])c1	731016006	BKIQBLJLMTXNOT-UHFFFAOYSA-N	411.458	3.548	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@@H]3CCN(CC(F)(F)F)C3=O)c2C)c1	732780500	AGZHEYOPEVFTQW-GOSISDBHSA-N	407.436	3.638	10	20	HHCD	
O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCCCSc1nccs1	733974721	LELFURCBABVSDH-UHFFFAOYSA-N	406.508	3.954	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)c1	734064383	GGQFYGDGEDLBOT-UHFFFAOYSA-N	422.481	3.988	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1	734191039	NWZPGZFDNUCDGD-YJBOKZPZSA-N	404.894	3.588	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1csc(NC(=O)c2ccoc2C)n1	734406063	ODVSBWVTIBFTBL-UHFFFAOYSA-N	412.515	3.530	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1	734687435	ARCGBLMEXPAVSX-KRWDZBQOSA-N	418.582	3.896	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1N1CCCCC1=O	741058153	ANTRSXJNROAQHY-UHFFFAOYSA-N	420.513	3.910	10	20	HHCD	
O=C(NCc1nc(-c2ccccc2)n[nH]1)N(Cc1ccco1)Cc1ccccc1O	741411912	AXNCDWNRAQCQME-UHFFFAOYSA-N	403.442	3.682	10	20	HHCD	
CC[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccncc1	741583837	BFSVCJQXNIQCMD-SFHVURJKSA-N	415.405	3.646	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)cc1F	741688210	WDJQTBKXYQGVIT-FQEVSTJZSA-N	421.463	3.834	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1	742655139	YMKSQLNJSWUYPW-UHFFFAOYSA-N	409.895	3.717	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3csc(C(=O)OC)c3)n2)cc1	743047231	ZFAJTJRLWCSRDD-UHFFFAOYSA-N	424.525	3.858	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(C(=O)OCc2ccccc2)CC1	743718602	PXTBLZYLEZONGQ-UHFFFAOYSA-N	422.525	3.936	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)c2C)cc1	744068790	CRYWFQZNIUDOQG-HSZRJFAPSA-N	417.509	3.634	10	20	HHCD	
CCC1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOCC1	745905333	NESKVNZNTNQFBD-MRXNPFEDSA-N	411.493	3.763	10	20	HHCD	
Cc1ccc(OCCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1C	746604386	LBSPEQYCMLHDJP-UHFFFAOYSA-N	410.558	3.988	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H](OC1CCOCC1)c1ccccc1	746673814	JCISXTFRYDAPGW-MBSDFSHPSA-N	411.546	3.877	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2cccc(F)c2)C2CC2)c1	746707359	DAUQSWGCTFGOAC-UHFFFAOYSA-N	412.505	3.731	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)C[C@H]2CCOC2)sc(C)c1-c1ccccc1	749845822	CGFWEYZXYVSDEG-MRXNPFEDSA-N	416.543	3.807	10	20	HHCD	
CCN(C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCCCC1	751931488	QIASSJWTTPTHLS-UHFFFAOYSA-N	401.532	3.654	10	20	HHCD	
Cc1cnc([C@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	754161704	XKEJECQDGVCCLL-KFWWJZLASA-N	420.554	3.807	10	20	HHCD	
O=C(NCCNc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754917700	ZSVUYMUYUHIEEW-QGZVFWFLSA-N	404.461	3.668	10	20	HHCD	
COc1ccc(N(C)CC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)cc1Cl	757855488	CXGRYAUQECRXIF-CQSZACIVSA-N	406.910	3.988	10	20	HHCD	
CCOC(=O)c1cc(NC(=O)N(CC)Cc2cc(Br)ccc2O)cn1C	759499374	JMULKOROTZHCLK-UHFFFAOYSA-N	424.295	3.724	10	20	HHCD	
O=C1N[C@@H](c2cccc3ccccc23)C(=O)N1Cc1ccc(N2CCOCC2)c(F)c1	761094465	WVXYICGNARLMGD-QFIPXVFZSA-N	419.456	3.609	10	20	HHCD	
COc1ccc2c(c1)CCC[C@H]2CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761595531	UETSTTUSBDPIMM-HNNXBMFYSA-N	414.889	3.939	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3CCO[C@@H]([C@@H]4CCOC4)C3)ccc21	763091423	CJNCIHAPSLWMNH-WOIUINJBSA-N	401.503	3.645	10	20	HHCD	
CCC[C@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(C)C	763555415	SEOZUSVTBILMBD-IBGZPJMESA-N	413.541	3.631	10	20	HHCD	
C[C@@H](c1ccccc1)N(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1O	765493653	XQEBDRCUGLAHOA-IBGZPJMESA-N	424.541	3.757	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCCC1	765784770	VSKVFHXOUULFEL-LJQANCHMSA-N	414.594	3.794	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(OC)c(COC)c3)cc2F)CC1	765852547	MNWNQBLZRXEQLP-SFHVURJKSA-N	415.553	3.973	10	20	HHCD	
C/C=C(/C=C\C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)CC	767660794	OOYWCAGZTUQIPF-FQSDHLIJSA-N	418.509	3.511	10	20	HHCD	
Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(N3CCOCC3)c(F)c2)o1	768983844	SUSNDACLTHKLQR-QFIPXVFZSA-N	408.477	3.653	10	20	HHCD	
C[C@H](c1ccc(F)cc1F)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	769328555	QZVDUAPALBWMMR-GOSISDBHSA-N	401.501	3.680	10	20	HHCD	
CCn1nc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21	769725855	NDEVAZPMQWDCRB-VBKFSLOCSA-N	403.529	3.902	10	20	HHCD	
CN(Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	773315292	FAFAPLQLVPKLTR-DEOSSOPVSA-N	404.558	3.773	10	20	HHCD	
CCN(CC)C(=O)CCC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	773612063	BZFXZTSLWDWCCE-GOSISDBHSA-N	402.583	3.884	10	20	HHCD	
C[C@H](NC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773627439	XVBZCXJMUKPKMF-DLBZAZTESA-N	404.555	3.760	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	773627554	OUGLXOMXLFIGNS-LPHOPBHVSA-N	404.555	3.855	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C	773757465	SWZJEXDVGSHKOM-VKIFBMEASA-N	406.523	3.619	10	20	HHCD	
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773860268	XPXZBUFWRIHKAC-KRWDZBQOSA-N	402.498	3.939	10	20	HHCD	
CC(C)CS(=O)(=O)N1CCC(N[C@H](C)c2cc(Cl)c(Cl)cc2O)CC1	774304723	WWAZNHNXWJIQLU-GFCCVEGCSA-N	409.379	3.800	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)Cc2ccc(F)c(Br)c2)c1O	775037149	LKFRNEVDIIPLDD-SNVBAGLBSA-N	413.243	3.931	10	20	HHCD	
COc1cc(Br)cc(CN(C[C@@H](O)COc2ccccc2)C(C)C)c1O	775198832	GHFRUXAZRGNGHG-QGZVFWFLSA-N	424.335	3.814	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c(C)n1-c1ccc(C(C)C)cc1	775210525	GMIFEUXGHIHHKO-IFMALSPDSA-N	411.546	3.583	10	20	HHCD	
CSc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C	775401743	RTJCCUBFOWYEKQ-KRWDZBQOSA-N	412.559	3.740	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	775728494	IMBJHDVXOWNKML-HOIFWPIMSA-N	415.509	3.799	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](C1CCCC1)C(F)(F)F	775772410	HFWNPAVAGQSGJG-QGZVFWFLSA-N	403.420	3.583	10	20	HHCD	
CC(C)(CCN1CCCCCC1)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	776118540	RRLYGNNLZYAJTB-UHFFFAOYSA-N	420.573	3.506	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2COC3(CCOCC3)O2)c(C)n1-c1cccc(C(C)C)c1	777505412	JSYNAMFWJZTGLB-OAQYLSRUSA-N	412.530	3.869	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1	778727419	PWZDLGGPZSNLEJ-STQMWFEESA-N	407.873	3.832	10	20	HHCD	
COc1ccc(N[C@@H](C)c2cc(Br)cc(C)c2O)cc1-n1cnnn1	779049623	QSFAWMRDBFQSLN-NSHDSACASA-N	404.268	3.621	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Cl)nc2)cc1	782429264	XUATXPFSIHSWMA-UHFFFAOYSA-N	412.877	3.562	10	20	HHCD	
C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cc(Br)ccc1O	783647751	RPHDRVFYNGKGMM-KGLIPLIRSA-N	406.324	3.626	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(Cl)c(F)c2)cc1	788976704	AZDODUHQWDIQKX-UHFFFAOYSA-N	405.901	3.600	10	20	HHCD	
Cc1c(Br)ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1F	789370781	UVFBNYVAFUUVLL-UHFFFAOYSA-N	422.298	3.560	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1	792037843	DYVJOAHUZAHNNS-UYAOXDASSA-N	415.484	3.937	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c(O)c1	792959111	HQXUIJWEDAPLPR-QFIPXVFZSA-N	416.481	3.876	10	20	HHCD	
CCNC(=O)C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	793107163	YNHLMYCFJJZYIC-HXUWFJFHSA-N	421.501	3.948	10	20	HHCD	
CCc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	793581273	BGBRYXDXMOIKCS-UHFFFAOYSA-N	423.488	3.934	10	20	HHCD	
C[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1	797112423	GXSLBTJOZXBYET-BEFAXECRSA-N	403.464	3.730	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccn4)C3=O)s2)cn1	800793788	VSTZNMAOOGYCNH-YVLHZVERSA-N	412.565	3.988	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3nn(-c4ccc(F)cc4)cc3C)CC2)cc1	800853284	NJOKENRXWIDBJZ-UHFFFAOYSA-N	408.477	3.681	10	20	HHCD	
CC(C)c1ccc(O[C@@H](C)CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	804975329	KHIYVHJHPFDSQJ-IBGZPJMESA-N	411.546	3.913	10	20	HHCD	
CC(=O)NCC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	806615270	JSGAREUUJHPZON-OAQYLSRUSA-N	414.594	3.903	10	20	HHCD	
CNC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1Br	806737405	YKDQAFQQCUCFSG-GFCCVEGCSA-N	419.323	3.757	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cc1	806806693	OXXRKMPESJBZNJ-UHFFFAOYSA-N	413.497	3.913	10	20	HHCD	
CN(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[C@@H]2CC[C@H](C1)N2C	806878133	MJMDFOURDCVRRV-UBLGTCEWSA-N	422.520	3.523	10	20	HHCD	
CC[C@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(C(F)(F)F)cc1O	810215273	BLAPEURQONJJMT-JXFKEZNVSA-N	421.419	3.707	10	20	HHCD	
CC[C@@H](CS(=O)(=O)c1ccccc1)NC1CCN(c2ccc(OC)cc2)CC1	812840419	VTPPXANAVPTYFO-SFHVURJKSA-N	402.560	3.506	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1-c1ccncc1	815351932	UWHYGIDYJQEAOW-UHFFFAOYSA-N	414.509	3.912	10	20	HHCD	
CC(C)[C@@H]1N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC12CCC2	816798768	VCHKVJCRLFTHBE-SFHVURJKSA-N	420.556	3.905	10	20	HHCD	
O=C(NCc1ccccc1)NC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCC1	857472038	FKKWEDJPMJNBEL-UHFFFAOYSA-N	421.541	3.699	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1	915209700	MSSLQKCRMDNTCT-PDIWNELESA-N	400.563	3.828	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3ccc(N(C)C)cc3)cc2F)C[C@H](C)O1	917710543	JVUBQAJFZKZCKV-ROUUACIJSA-N	413.537	3.754	10	20	HHCD	
Cc1cc(C)c(/C=C/C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1C	917833975	FIGQKLGIJCOYPH-NJTIBFSMSA-N	405.542	3.643	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	918309732	GQWJZEGQPUNTLJ-UHFFFAOYSA-N	415.921	3.936	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)COCc1ccccc1	919798630	FVQKLRFOGBUDGR-UGKGYDQZSA-N	412.530	3.936	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(ccc3ccccc32)[nH]1	1320519218	CSIWXRZQNHKLQL-FQEVSTJZSA-N	418.449	3.637	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1	1341327374	HSWRZZVTVPCIIC-UHFFFAOYSA-N	422.916	3.741	10	20	HHCD	
Cc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788427769	ORYNNTOWBWZVPP-UHFFFAOYSA-N	417.465	3.863	10	20	HHCD	
CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1	1806722128	XJDIDWVXUVTWJA-UPVQGACJSA-N	416.525	3.829	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(NC(=O)c2cccs2)c1	108805591	RUPJSPXKERUTDR-UHFFFAOYSA-N	421.522	3.767	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H](C(C)C)N3CCCCCC3)CC2)cc1	110419674	FEZVGVAHKFDKEA-QHCPKHFHSA-N	416.610	3.864	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)c1ccc2nnc(C(F)(F)F)n2n1	301741736	YGJJVXMMNKOSEX-UHFFFAOYSA-N	416.201	3.638	10	20	HHCD	
CCN(CC)[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1	303162517	AAXFLAOYWQUZAA-DEOSSOPVSA-N	409.574	3.595	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(CC(F)(F)F)[C@H]2CCOC2)C1	435811159	VRLBRGXJDRGPLS-INIZCTEOSA-N	423.479	3.588	10	20	HHCD	
Cc1ccc(-c2noc(CCC(=O)N3CCOc4cc(N(C)C)ccc43)n2)cc1F	437009480	IOFHPNDVVZEKSM-UHFFFAOYSA-N	410.449	3.608	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)n(C)c2ccccc12	493905201	RVTXFTAUSNISHN-UHFFFAOYSA-N	408.433	3.601	10	20	HHCD	
COc1cnc2ccccc2c1C(=O)Nc1ccc(NC(=O)C2=S=CC=C2)cc1	549295228	NMXRUCDIMKLAMR-UHFFFAOYSA-N	403.463	3.712	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1	726102342	IBIVDWGFCTUBHH-LJQANCHMSA-N	418.582	3.979	10	20	HHCD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565560	CUVRSKZNBHWHOQ-XCVCLJGOSA-N	417.412	3.995	10	20	HHCD	
Cc1ccccc1[C@@]1(C)NC(=O)N(CN(C)Cc2ccc(N3CCCCC3)cc2)C1=O	728043299	XEMUAIMMBPQSDP-RUZDIDTESA-N	420.557	3.842	10	20	HHCD	
CCCCN1CCCC[C@H]1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	731283744	PUOKEEZIJQJBGE-LEWJYISDSA-N	403.567	3.737	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3ccccc3N3CCC[C@H](C)C3)CC2)cc1	731841414	IHCZAHPYRJDJBA-FQEVSTJZSA-N	423.557	3.659	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1	732479311	YAOHUPQREIPCSG-UHFFFAOYSA-N	419.412	3.937	10	20	HHCD	
C[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	733098141	XNDJNWJWYNLRRW-DNVCBOLYSA-N	414.468	3.754	10	20	HHCD	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cccc(N4CCC(C)CC4)c3)cc21	740609885	OGOVWBSAXRAOTM-UHFFFAOYSA-N	413.543	3.633	10	20	HHCD	
Ic1cccnc1NCc1ccc(N2CCSCC2)cc1	740865918	SSMMUJKXVWFCAK-UHFFFAOYSA-N	411.312	3.852	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cccc3c[nH]nc23)NC(=O)OC(C)(C)C)cc1	742752261	FPRYNSREQNUQJQ-IBGZPJMESA-N	423.517	3.625	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Cc3coc4c(C)c(C)ccc34)CC2)cc1	742926589	JLEWTTCJTLGCRJ-UHFFFAOYSA-N	421.541	3.539	10	20	HHCD	
CN(C)c1cc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c2ccccc2n1	743623075	FGRQYJXBNJQPIU-UHFFFAOYSA-N	401.514	3.676	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	743716488	PWYDAGUFYFWKOR-OAQYLSRUSA-N	422.525	3.591	10	20	HHCD	
CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1	747861053	XHZUUIMBCAJCGM-LADGPHEKSA-N	423.557	3.833	10	20	HHCD	
O=C(NCCCc1ccccc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748009556	SQFYUEGXAIJXPV-UHFFFAOYSA-N	416.524	3.617	10	20	HHCD	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	748627438	XQWVBAKUKOYATI-XXBNENTESA-N	411.546	3.658	10	20	HHCD	
Cc1c(C)c(C)c(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1C	748865085	PJQYOIKJPGEJRO-UHFFFAOYSA-N	416.587	3.886	10	20	HHCD	
COc1ccccc1C1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	749125631	XRPSJJIJNYKXFQ-IRXDYDNUSA-N	412.505	3.796	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)sc1Br	751242143	INFVLIOHZLWJBR-UHFFFAOYSA-N	415.378	3.898	10	20	HHCD	
COC(=O)CN(Cc1ccn(-c2c(F)cccc2F)n1)Cc1cc(Cl)ccc1O	752017734	FLXIQLPFRUEVPE-UHFFFAOYSA-N	421.831	3.685	10	20	HHCD	
CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NCc1ccc(N(CC)CC)cc1	752150809	UPGMXWWBAYLXKK-LJQANCHMSA-N	417.575	3.585	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)/C=C/SCc3ccco3)cc2F)CC1	754236336	NBXRPSLDKOKADS-NTUHNPAUSA-N	403.523	3.624	10	20	HHCD	
CC(C)c1cnc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1	756077920	WPJQYQASBSORHL-UHFFFAOYSA-N	400.548	3.854	10	20	HHCD	
C[C@H]1C[C@@H](NCCCC(=O)N2CCN(c3ccccc3)CC2)c2c(O)ccc(F)c21	756730092	LGPHWPDUCKHOCT-FXAWDEMLSA-N	411.521	3.798	10	20	HHCD	
CC(C)N1C[C@H](N[C@H](C)c2cc(Br)cc(Br)c2O)CC1=O	756738390	OLXMBBIFMQIAGH-MWLCHTKSSA-N	420.145	3.577	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(C(F)(F)F)nc1	761905765	XJRDIIURHUEGCN-UHFFFAOYSA-N	408.424	3.631	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC[C@@H](C2CC2)C1	764561907	OVKDTWKGILINBT-VQCBNXJZSA-N	406.598	3.988	10	20	HHCD	
C[C@@H](Cc1cccc(F)c1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765281249	PATBHZCOQZKPIU-SFHVURJKSA-N	423.511	3.802	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)NCc1cccc(Br)c1O)c1ccco1	765477490	FWGRNPHAVQQMIW-OAHLLOKOSA-N	410.312	3.630	10	20	HHCD	
CC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(O)n1	775524282	RXRZUSJRWNTWFM-UHFFFAOYSA-N	423.435	3.696	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(OCC2CC2)c(F)c1	775543051	RTPUVXBSFPIVGO-KRWDZBQOSA-N	413.537	3.990	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(Cc3ccccc3)CC(C)(C)O)CC2)cc1	776040632	DCCNVSRISXOVKA-UHFFFAOYSA-N	411.546	3.647	10	20	HHCD	
CC[C@@H](C)Oc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1	777756785	HSKNJZBCFZKIJB-XLIONFOSSA-N	413.518	3.855	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@H]2c2noc(C(C)C)n2)c(C)n1-c1ccc(F)cc1	779692233	CAIPPFFTRLUFPB-IBGZPJMESA-N	412.465	3.953	10	20	HHCD	
CC(=O)Nc1ccc(C)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	780558257	NBKAYBXKVKHOOW-UHFFFAOYSA-N	417.456	3.954	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCC2CCN(CC(F)(F)F)CC2)C2CC2)cc1	780630478	HBCXKJLEEFBZDF-UHFFFAOYSA-N	412.500	3.701	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)cc1	783643547	NWOZTPXMWHESAO-QGZVFWFLSA-N	417.351	3.593	10	20	HHCD	
C[C@H](CCc1ccc(O)cc1)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	785900983	UPKZLRYGHVVBGJ-GOSISDBHSA-N	424.541	3.897	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccc(C)cc4C)c3)CC2)cc1F	786206606	DDTVNNSJVHKNJT-UHFFFAOYSA-N	423.492	3.991	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2nc(-c3cccc(F)c3)no2)cc1F	787209369	AERLSCZQUPZYIF-UHFFFAOYSA-N	415.444	3.860	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1	787338109	BDQGPYHJPYEYEN-JTQLQIEISA-N	413.352	3.888	10	20	HHCD	
CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O	789984410	PUTATJZIRGYNQV-BBRMVZONSA-N	411.340	3.588	10	20	HHCD	
CC(C)[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(F)ccc1F	794807856	MLULTYQRLDQMDP-NRFANRHFSA-N	408.514	3.687	10	20	HHCD	
CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	797437685	OVGIXBAREZZWOB-RXVVDRJESA-N	411.550	3.737	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1OCCO	798317926	LSRYIUQNPBGUIH-UHFFFAOYSA-N	424.497	3.568	10	20	HHCD	
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	799238590	CGEQBHWFEVUWAG-HRAATJIYSA-N	410.518	3.553	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCC[S@@](=O)C(C)(C)C)cc2Cl)C1	799930159	MYGLLPLJDBWJAS-YVORESIASA-N	414.015	3.923	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccsc1Br	801066510	WPUQFDDKMDBPLM-UHFFFAOYSA-N	424.364	3.689	10	20	HHCD	
C[C@H]1C[C@H](C)CC[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	806190633	BXTBNBLAFZCDGJ-KGVIQGDOSA-N	411.546	3.815	10	20	HHCD	
CCN(C)C(=O)c1cccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	806774166	MQBHMGXJUIARSG-UHFFFAOYSA-N	410.518	3.578	10	20	HHCD	
Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807512765	IDGXDUOLSDLDIB-UHFFFAOYSA-N	420.252	3.917	10	20	HHCD	
CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1	808527307	DQWJUXZVZDYMQN-UHFFFAOYSA-N	419.503	3.842	10	20	HHCD	
C[C@@H](NCc1cn2ccc(Br)cc2n1)c1ccc(N2CCOCC2)cc1	810134402	BETSJTIONZYPLN-OAHLLOKOSA-N	415.335	3.784	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1	917515023	XLBVSSMHHVETKH-UHFFFAOYSA-N	415.540	3.948	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-]	917710029	LXDHIPSERDKLOC-GASCZTMLSA-N	401.438	3.586	10	20	HHCD	
O=C(NCCCn1ccc2ccccc21)NCc1ccc(N2CCC(CO)CC2)cc1	918143346	YDSRVWPIQHOECU-UHFFFAOYSA-N	420.557	3.740	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H]1c1ccc(F)cc1	918224963	XLAKIKZQRYOVCB-HXUWFJFHSA-N	401.457	3.848	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1	918444363	RJXUALJUYVWWDO-UHFFFAOYSA-N	421.419	3.608	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	1117507340	IGINGTLJVOLUFH-NSHDSACASA-N	405.241	3.517	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1nc(-c2ccc(F)cc2)n2c1CCCCC2	1319802884	CHFRELNKJUCRES-UHFFFAOYSA-N	409.461	3.799	10	20	HHCD	
Cc1cc(O)c(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1C	16360008	FRKJFTWVWPUARV-UHFFFAOYSA-N	424.932	3.531	10	20	HHCD	
CCOC(=O)C1=C(CNc2cc3oc4ccccc4c3cc2OC)NC(=O)N[C@@H]1C	25892531	BEOFRCQXCMSKLO-GFCCVEGCSA-N	409.442	3.525	10	20	HHCD	
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)n1	60106068	DFJDEYYKSQZBIE-IBGZPJMESA-N	404.514	3.817	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CC3)cc2F)CC1	303349473	XZKIEQKXVGRJJE-UHFFFAOYSA-N	415.940	3.969	10	20	HHCD	
CCCn1ccc2cc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)ccc21	303945121	ZKJGDBAUIYVQMW-UHFFFAOYSA-N	404.514	3.689	10	20	HHCD	
COc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c(Cl)c1Cl	608259099	GUDOEOZVYOEZDO-UHFFFAOYSA-N	417.314	3.656	10	20	HHCD	
COc1cccc2c1OCC[C@H]2NC(=O)NCc1ccc(N2CCSCC2)cc1	725874113	GMPSAEXBQBDWJF-LJQANCHMSA-N	413.543	3.571	10	20	HHCD	
CCNC(=O)c1ccc(C)c(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	726695380	DOOKUOYGJDPTHI-UHFFFAOYSA-N	410.518	3.544	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cc(O)cs2)c(C)n1-c1ccc2c(c1)OCCO2	731910774	CFGVVVVMZKDVSE-UHFFFAOYSA-N	413.451	3.672	10	20	HHCD	
COC(=O)C[C@H](C)SCC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	734367597	KMSZZIZOAZYZBO-AWEZNQCLSA-N	403.500	3.748	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1	734866565	CIWPTWIMHIINSQ-YLJYHZDGSA-N	401.457	3.798	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	739700564	SETHKBUBCLWLDE-RBUKOAKNSA-N	419.591	3.549	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(N2CCOC2=O)c1	740910146	OJHHYKBBMMLJFQ-KRWDZBQOSA-N	406.486	3.580	10	20	HHCD	
C[C@H](NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	741543669	DRECYVMUGCQXNX-SFHVURJKSA-N	423.557	3.790	10	20	HHCD	
Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	741735786	MAFZSUGIAKQXMJ-UHFFFAOYSA-N	422.573	3.502	10	20	HHCD	
COc1cc(N(C)CC(=O)NCC2(c3ccccc3)CCCC2)cc(OC)c1OC	741799039	SOSQQLOSCQFIBF-UHFFFAOYSA-N	412.530	3.777	10	20	HHCD	
CCc1nnc(S)n1CCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	742190844	NTTDVXJOPSZJPO-UHFFFAOYSA-N	403.939	3.620	10	20	HHCD	
COc1cccc(COCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742798453	NUMKVNSFMVXFQN-KRWDZBQOSA-N	420.456	3.598	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2ccc(N(C)C)cc2)c(Br)cc1F	743193466	ZAZJPGNTSJRWJU-UHFFFAOYSA-N	424.270	3.763	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)c3cccc(-n4cccn4)c3)CC2)cc1	745931712	JEDHUJNRENVEOY-LJQANCHMSA-N	419.529	3.864	10	20	HHCD	
CCN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccc(OC)cc1	746109725	UTOHRKKOEWTUCK-UHFFFAOYSA-N	400.479	3.642	10	20	HHCD	
COC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccco1	746769960	IEXPVNHSYNVDEI-YOEHRIQHSA-N	409.433	3.537	10	20	HHCD	
CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1	747856912	OEQXCHDIKAELEV-ICSRJNTNSA-N	402.583	3.759	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2ccc(F)cc2)n1C	749162887	UPDNUQJIUMYJDY-UHFFFAOYSA-N	407.489	3.940	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(F)c1I	750200720	DXMOFLPWIRFSQB-UHFFFAOYSA-N	424.257	3.961	10	20	HHCD	
CCc1cnc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)s1	751069255	GIPMZURGXQDPGJ-UHFFFAOYSA-N	409.514	3.526	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1Cc1ccccc1	751098432	SIYPROOQZUEGOF-NFBKMPQASA-N	404.558	3.915	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)oc1C	751126244	JVFISUNTIUDALJ-UHFFFAOYSA-N	410.448	3.746	10	20	HHCD	
Cc1cc(C(=O)NCC2(CN3CCOCC3)CCCCC2)c(C)n1-c1ccccn1	751426494	YUUYMHYBJYNZRO-UHFFFAOYSA-N	410.562	3.502	10	20	HHCD	
Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	752364529	QATHKHYXUIMXTD-UHFFFAOYSA-N	400.498	3.667	10	20	HHCD	
C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	753950890	WXFNKXUNTNCYMP-APWZRJJASA-N	413.949	3.537	10	20	HHCD	
COc1cc(CN[C@@H](C)c2cc(Br)cc(F)c2O)ccc1OCCO	756440019	BWGNPPPNXACWBN-NSHDSACASA-N	414.271	3.524	10	20	HHCD	
C[C@H](NCC(=O)NC1CCCC1)c1cc(Br)cc(Br)c1O	756703565	ACPRGAHJVFAAEM-VIFPVBQESA-N	420.145	3.627	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(c3ccc4c(c3)OCO4)C1=O)OCO2	758819401	KTDDMXIMJWZDFS-YAXRCOADSA-N	415.448	3.558	10	20	HHCD	
C[C@@H](N[C@H](C)c1cccc(O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	759695581	SRIHARYXVQLJDP-HUUCEWRRSA-N	414.461	3.845	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCC(C)(O)CC2)sc(C)c1-c1ccccc1	759765498	ACQIPXPTKWLWPP-UHFFFAOYSA-N	416.543	3.686	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cc(Br)nn2C)cc1)C1CCCCC1	760206531	ZZXQBLGUFPLCJR-UHFFFAOYSA-N	405.340	3.882	10	20	HHCD	
CC(C)c1cc(Br)ccc1NC(=O)C(=O)N(C)Cc1ccccc1O	760891153	WEJVJAPXQWCKSW-UHFFFAOYSA-N	405.292	3.875	10	20	HHCD	
CS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1Br	769707176	YPKJQPXZCQHIKR-UHFFFAOYSA-N	423.332	3.705	10	20	HHCD	
CCN(CC)c1ccc(CNc2cc(C(=O)N3CCN(C)CC3)ccc2OC)cc1	770544468	YTCYIEAOVAWEAE-UHFFFAOYSA-N	410.562	3.541	10	20	HHCD	
COc1ccc(NCc2cccc(Br)c2O)cc1-n1nnnc1C1CC1	770601195	FIDNCZFAMYLRBU-UHFFFAOYSA-N	416.279	3.629	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc(COC)cc1	774770195	ABUCNGRZYORFEK-UHFFFAOYSA-N	414.321	3.512	10	20	HHCD	
CCOc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1O[C@@H](C)C(=O)N(C)C	775365661	VRVSPCOSKDSWMH-ROUUACIJSA-N	413.562	3.858	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	775776001	BFYMLEHILGVVAY-JTSKRJEESA-N	415.509	3.580	10	20	HHCD	
C[C@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1	775833785	MBZQLUQNBWYGJF-UWJYYQICSA-N	409.530	3.538	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CSc3nncs3)c2C)cc1	775969921	ZBOQTSGDUHUXCQ-UHFFFAOYSA-N	401.513	3.772	10	20	HHCD	
C[C@@H]1CN(C(=O)c2ccc(CNCc3cc(Cl)cc(F)c3O)cc2)C[C@@H](C)O1	776059309	XTVRXSOHWITUIE-ZIAGYGMSSA-N	406.885	3.724	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC(C)(C)OC3(C)C)cc2F)C[C@@H](C)O1	778620389	LFIRIYLSNFPNSX-SPYBWZPUSA-N	407.530	3.585	10	20	HHCD	
Cc1ccccc1-n1nccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783316144	IRHTXMAKJZXLLZ-UHFFFAOYSA-N	419.529	3.622	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](c2ccccc2)c2ccco2)cc1	785544903	NHOFYEYCSIJGMP-HSZRJFAPSA-N	419.525	3.990	10	20	HHCD	
COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1	786874596	TUNNWIQVIDJFRD-UHFFFAOYSA-N	408.476	3.775	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	789074580	ZKMPPVCMTXHKCR-DCVFFXCOSA-N	408.237	3.767	10	20	HHCD	
CC(C)c1csc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1	789369640	GTPSYJGNOCRFRJ-UHFFFAOYSA-N	400.548	3.854	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCN(Cc2ccccc2)C1	792035613	NBNBKGNVFPMXFH-JOCHJYFZSA-N	424.614	3.561	10	20	HHCD	
CC(C)(CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCCC1	793125278	PYXOHPSCWBAQBJ-UHFFFAOYSA-N	406.592	3.534	10	20	HHCD	
COc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cccc1[N+](=O)[O-]	793578566	TVBWTMSWDUNOEJ-CYBMUJFWSA-N	421.400	3.604	10	20	HHCD	
CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(-c3ccccc3)ccc1O)C2	793610709	WPMLBGUXHKVAHO-UHFFFAOYSA-N	408.523	3.526	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2nc3cc(Br)ccc3o2)cc1	795992970	ZFNDZDYPSIAJLH-UHFFFAOYSA-N	405.248	3.779	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1	797635774	IMDZBZYPYKRWLH-KRWDZBQOSA-N	413.518	3.715	10	20	HHCD	
CCCCN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1ccccc1O	801595590	OXUXCUSHEWQUNY-UHFFFAOYSA-N	423.557	3.872	10	20	HHCD	
COC(=O)c1c(F)cc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1F	801838416	REVTVKAJPKDTJF-UHFFFAOYSA-N	419.428	3.504	10	20	HHCD	
O=C(NCc1ccccc1Cn1ccnc1)NCc1cc(Cl)cc(Cl)c1O	804898457	HYOIUZOTNJIBHB-UHFFFAOYSA-N	405.285	3.943	10	20	HHCD	
CC[C@@H](NCc1ccc(CS(=O)(=O)NC)cc1)c1cc(Cl)cc(Cl)c1O	806133418	MUFNFHNSSPREAI-QGZVFWFLSA-N	417.358	3.989	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(C(=O)NCCOC)c2)cc1	806630710	QQOGLSLHPMTTPX-UHFFFAOYSA-N	412.534	3.573	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1ccccc1F)C1CCCC1	807095932	CLESYVVXPJTXBC-QFIPXVFZSA-N	411.521	3.864	10	20	HHCD	
COc1cc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC	807837598	XFFPBSMWUSSDLC-UHFFFAOYSA-N	400.258	3.584	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)CCn2cc(Br)cn2)cc1	809399433	FVNNXAQECBWMGL-UHFFFAOYSA-N	401.308	3.825	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@@H]3OCCc4sccc43)CC2)cc1	813865942	BEGFZAXLXDHOEG-KKSFZXQISA-N	415.559	3.681	10	20	HHCD	
O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2	814289352	NDSUIHNCGHOZPO-ZERBIFTNSA-N	400.569	3.913	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F	815398312	CSAKCAVSTLMTIK-UHFFFAOYSA-N	402.756	3.541	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc4oc(S)nc4c3)cc2F)C[C@H](C)O1	816891108	IICOOESMQNCEHJ-STQMWFEESA-N	415.490	3.799	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1	817768419	KMZACIBSHXXYCH-YCOJEUHLSA-N	402.288	3.965	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2nnn(Cc3ccncc3)c2C)c1	820465082	CJJYTCIRXQGARA-UHFFFAOYSA-N	400.486	3.998	10	20	HHCD	
CCC(CC)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCCC1	916256689	LMDFKRLUIQWQQJ-VXKWHMMOSA-N	417.594	3.983	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3NC(=O)c3ccoc3)CC2)cc1	916722768	DBWWYBJNONXHGZ-UHFFFAOYSA-N	423.444	3.642	10	20	HHCD	
C[C@H]1CN([C@@H](CNCc2ccc3c(c2)CCO3)c2c(F)cccc2Cl)CCO1	917395646	WXHYBXUCQRDVAA-YWZLYKJASA-N	404.913	3.966	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cccc(Cl)c3)cc2F)C[C@H](C)O1	917713016	ZHLAATJMWVTKQO-GJZGRUSLSA-N	406.885	3.788	10	20	HHCD	
CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	917917901	JPYFPIZRMWLNEF-MRXNPFEDSA-N	406.523	3.654	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccccc1N1CCCC1	918307975	BEBDQDYFQIUXPJ-UHFFFAOYSA-N	420.557	3.874	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2c(F)cccc2NS(C)(=O)=O)cc1	1252816203	XJEOSEUQFLPVQT-UHFFFAOYSA-N	415.490	3.535	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)c1	1317992565	CGOKZJPPTOFTPH-HDICACEKSA-N	403.954	3.977	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1	1325498634	KRVOXAQZHBJJPU-NRFANRHFSA-N	408.546	3.637	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1(c2cccc(F)c2)CCCC1	27591709	QYOSOGUSEZUJNS-UHFFFAOYSA-N	412.505	3.905	10	20	HHCD	
C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	55651429	KSHNHRMDGFUENE-ZDUSSCGKSA-N	416.528	3.507	10	20	HHCD	
O=C(/C=C\c1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1	96401838	FRPXOPXGTLZOMS-YHYXMXQVSA-N	401.304	3.615	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H](c2ccccc2)O1	149611265	MHDAYRLDMBJEKY-GCJKJVERSA-N	411.571	3.911	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)c(C)n1-c1ccc(F)cc1	303173936	XDOQUWJDDKYFGQ-SFHVURJKSA-N	403.523	3.663	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)n(C)c2ccccc12	479091971	DGIQEAMRJOUHJN-UHFFFAOYSA-N	418.324	3.769	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(F)cc4c3OCOC4)ccc21	483670796	KYCNIJSQHMGTKX-UHFFFAOYSA-N	412.461	3.840	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(OC(F)F)c(OC)c3)CC2)cc1	726562557	OYOTXIZUKBCYMD-UHFFFAOYSA-N	406.429	3.704	10	20	HHCD	
COCc1ccccc1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726614696	WJHDVXIKVQMEHZ-UHFFFAOYSA-N	419.472	3.903	10	20	HHCD	
Cc1cc(C)cc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726725898	HKCFVKZFCGZGNR-UHFFFAOYSA-N	417.456	3.629	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)NCc3ccc4c(c3)CCCN4C)cc2)n1	727846082	JMUSUIKJOWHXEF-UHFFFAOYSA-N	419.529	3.723	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)cc1F	728210505	HTVDJMVGJOTODI-UHFFFAOYSA-N	422.504	3.678	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccc(OC)c(OC(F)F)c2)c1	728951144	CTPWSPTWRADNER-LBPRGKRZSA-N	410.417	3.614	10	20	HHCD	
C[C@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc2O1	730073878	QWDPQADXHAPJQK-NSHDSACASA-N	417.468	3.843	10	20	HHCD	
COC(=O)c1cc(CN(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)oc1C	731049387	XHLGHHFXEQYIEQ-UHFFFAOYSA-N	413.518	3.953	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1	731473924	BQFSRRXVGKGEHO-HXUWFJFHSA-N	401.438	3.621	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)c1O	737285663	LGPZYYYERJVOKL-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
O=C(NCCc1cc2ccccc2o1)NCc1ccc(N2CCC(O)CC2)c(F)c1	740467085	DSVAGVALWSAKDJ-UHFFFAOYSA-N	411.477	3.575	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccncc1	743554588	IMXHGFVWLRJXKL-GQIGUUNPSA-N	400.498	3.785	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccccn3)cc2F)C[C@@H](C)O1	744280026	BKYWTELORDMAFU-BBWFWOEESA-N	400.498	3.737	10	20	HHCD	
O=S(=O)(c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)C(F)F	744402356	ODKGIMZCSXHSGF-KRWDZBQOSA-N	411.470	3.570	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	748619928	NPEUESLDWRSGNU-UHFFFAOYSA-N	412.446	3.991	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCN(C[C@H]4CCOC4)CC3)c2C)c1	749852642	KLJLUOVDADZOAO-JOCHJYFZSA-N	409.574	3.548	10	20	HHCD	
CC(=O)CCc1ccc(OCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1	751298603	BKMSNTGZSNQEMR-UHFFFAOYSA-N	414.465	3.935	10	20	HHCD	
Cc1ccc(N2CCC[C@H](OC(=O)c3csc(Cc4ccc(N)cc4)n3)C2=O)cc1	751937724	UVANPRDQVUKRIW-FQEVSTJZSA-N	421.522	3.977	10	20	HHCD	
O=C(Cc1ccc2c(c1)COC2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754318303	BZDRSXAJXIBXNB-GOSISDBHSA-N	402.441	3.646	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(CCCO)[C@H]3CCc4ccccc43)CC2)cc1	754367089	POVJJTYOSVCSPB-DEOSSOPVSA-N	423.557	3.746	10	20	HHCD	
COc1cccc(C(=O)N2CCN(Cc3cc(OC)cc(C(C)(C)C)c3O)CC2)c1	754722804	DEACQVXGTMXWNV-UHFFFAOYSA-N	412.530	3.665	10	20	HHCD	
CC(=O)N1CC[C@@H](CN(C)CC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)C1	755040807	CKWHJTZEHUYANW-FQEVSTJZSA-N	407.558	3.566	10	20	HHCD	
C/C(=C/c1ccccc1)CN(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	755592834	DKXUXBPLGBVLPX-ZHFOUCBBSA-N	420.557	3.633	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc([C@@H]2CCCO2)n1	755936974	QJIJZQFFSCOKOX-GUYCJALGSA-N	423.485	3.995	10	20	HHCD	
COc1ccccc1-n1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cn1	755983706	NMSQSEDOVGMPNO-UHFFFAOYSA-N	401.488	3.819	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc([S@@](C)=O)cc1	756724920	OFIXFDVHTKXIJR-FVJSMHJDSA-N	416.543	3.581	10	20	HHCD	
Cc1cc(S(C)(=O)=O)cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C	758570415	PQKWUGOWWMISMB-UHFFFAOYSA-N	402.560	3.824	10	20	HHCD	
COC(C)(C)CN(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	758861934	RILBXDVHXMHQHY-SDNWHVSQSA-N	412.602	3.613	10	20	HHCD	
COC(=O)C1(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CCSCC1	759907535	ZGTHLCZEJBZJQL-UHFFFAOYSA-N	406.935	3.916	10	20	HHCD	
CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	760521441	VHAURTYRKAAWDK-JOCHJYFZSA-N	405.558	3.712	10	20	HHCD	
COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cc(OC)ccc1O	764156843	GGGWOGMXWQXWCC-GFCCVEGCSA-N	406.460	3.539	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)cn2)n1	765070062	HPZNSFZXBNDIMX-GOSISDBHSA-N	409.509	3.711	10	20	HHCD	
COC(=O)N(C)Cc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1	765292939	JHJFZXNHGHOKRW-UHFFFAOYSA-N	422.279	3.675	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)c1ccc(N2CCOCC2)cc1	766160198	BNSOVXCXPMHENF-OAHLLOKOSA-N	409.490	3.613	10	20	HHCD	
COc1ccc2c(c1)CCCCN2CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C	766272658	QMTSZLRBSRGBCI-UHFFFAOYSA-N	409.530	3.518	10	20	HHCD	
CCn1ncc2c(C(=O)NCc3cc(OC)ccc3O)cc(-c3ccccc3)nc21	769540219	HEBLPCRUSBRLEW-UHFFFAOYSA-N	402.454	3.762	10	20	HHCD	
Cc1ccc(-c2cnc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)s2)c(C)c1	769642306	WBOPLJKLMCZXPH-UHFFFAOYSA-N	417.512	3.756	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c2)CC1	770144218	UCLCISCIQZPNQH-UHFFFAOYSA-N	409.490	3.563	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(Cn4nc(C)cc4C)c3)c2)CC1	770145859	AQLCNGZFGCAFDJ-UHFFFAOYSA-N	417.557	3.942	10	20	HHCD	
Cc1cc2c(N3CCC[C@H]3C(=O)NCCCSc3nccs3)ncnc2s1	770969527	RUBIXTZYHQCFPF-AWEZNQCLSA-N	419.601	3.724	10	20	HHCD	
COc1ccccc1C1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	771054987	WSXUPANBQGWIIV-SFHVURJKSA-N	414.933	3.867	10	20	HHCD	
O=S(=O)(C1=Cc2ccccc2OCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	772700986	KOEBEQWDTNDYPD-LJQANCHMSA-N	415.511	3.527	10	20	HHCD	
C[C@H](NC(=O)c1occc1CN1C(=O)Cc2ccccc21)c1ccc(N(C)C)cc1	773011075	VTDPRSARGDRAIU-INIZCTEOSA-N	403.482	3.926	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C)c1ccc(N(C)C)cc1	773089752	VHWSPYAFSAEVCD-AWEZNQCLSA-N	409.511	3.535	10	20	HHCD	
C[C@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)c1ccc(N(C)C)cc1	773609512	AIZJXFYEMNPGEZ-FQEVSTJZSA-N	422.573	3.690	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c3c2CCCC3)cc1	773739416	HOGFHCWPPDBORY-MRXNPFEDSA-N	405.498	3.832	10	20	HHCD	
CN1C(=O)CCc2cc(CN[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc21	775309823	FHGXZGVECJVYIJ-GOSISDBHSA-N	415.484	3.956	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1	777397283	IKGQVLOWRMOCPF-SXLOBPIMSA-N	414.527	3.562	10	20	HHCD	
CCOC(=O)c1c(C)oc2nc(CN3CCCCc4cc(OC)ccc43)nc(N)c12	781904146	NBVTYGQUCMHTNR-UHFFFAOYSA-N	410.474	3.642	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)ccc1Br	784029324	DRFJYTAATKJTBP-UHFFFAOYSA-N	421.291	3.541	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1scc(C)c1I	786988527	MEKJXGMJDBLLOM-UHFFFAOYSA-N	414.312	3.966	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)nn1	793039832	DCGRVRSQGSEOLJ-MRXNPFEDSA-N	419.485	3.579	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	794238895	OGFBRZUZEWCDAA-IYBDPMFKSA-N	416.541	3.692	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc2c(c1)C(=O)CCC2	797744730	WUJIQQGGNYZZHD-UHFFFAOYSA-N	402.834	3.683	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2	801548179	BCUWPNJKWSSSLE-UHFFFAOYSA-N	415.555	3.874	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)N2CC[C@@](F)(CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	802011221	MKXXAAOJNOJSCS-VFNWGFHPSA-N	410.436	3.673	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Oc3ccccc3CS(C)(=O)=O)c2C)cc1	803083105	QTRQXONFNKAANK-UHFFFAOYSA-N	413.495	3.867	10	20	HHCD	
Cc1ccc(NC(=O)C(C)C)cc1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	804221673	QXBZUQNXRDIQOD-UHFFFAOYSA-N	415.877	3.917	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2cc(OC)ccc2c1	806846549	SMUQWGYIUBRXLE-UHFFFAOYSA-N	405.498	3.902	10	20	HHCD	
CC(C)Cn1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc2c1=O	807837938	HGNPBEQEWIPUNS-UHFFFAOYSA-N	420.296	3.995	10	20	HHCD	
Cc1cc(=O)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nn1-c1ccccc1F	807837991	IPBQPAAOOYGYJT-UHFFFAOYSA-N	422.243	3.622	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]nc1-c1ccc2c(c1)OCO2	807839242	AONYWMYDDBVXAM-UHFFFAOYSA-N	406.225	3.748	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2C(=O)OCC2(C)C)c(C)n1-c1cccc(Br)c1	808102949	LKQIEJFEYMFZCV-INIZCTEOSA-N	405.292	3.538	10	20	HHCD	
Cc1ccc(Sc2nsc(NC(=O)NCCc3ccc(O)c(O)c3)n2)cc1	810244943	KWYRCZRQAMOCIU-UHFFFAOYSA-N	402.501	3.773	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncnc1-c1ccccc1	810631550	LKUKQFXRCBXCAQ-IBGZPJMESA-N	422.916	3.897	10	20	HHCD	
Oc1c(Br)cccc1CNCc1cn2ccc(Br)cc2n1	811496355	WAJQWYUQGNCMFG-UHFFFAOYSA-N	411.097	3.855	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1O	811703738	CFWMNJNKNCFMEG-UHFFFAOYSA-N	417.443	3.574	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)cnc1Br	812993746	YJSALFKWRNDWNI-UHFFFAOYSA-N	420.307	3.626	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnn(-c4ccccn4)c3N)cc2Cl)C1	816575625	SVANREZLVYMMIS-OAHLLOKOSA-N	424.936	3.669	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(S(=O)(=O)C2CCCCC2)c1	817477515	LDKIUIVDAGGBAU-ZRDIBKRKSA-N	401.484	3.856	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1C	873988791	RLSHGLPIAFMSHU-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
COc1ccc(N2C[C@H](C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2=O)cc1	912997353	PZLGHAUUPBEMHP-HXUWFJFHSA-N	421.541	3.697	10	20	HHCD	
C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)C[C@@H](C)O1	915081072	IOELEULRFKUEBB-WOJBJXKFSA-N	407.558	3.826	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1	916436235	YTJSLKQAOHCQGN-DEOSSOPVSA-N	424.589	3.666	10	20	HHCD	
CC(C)c1cccc(NC(=S)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	917595739	JHKRLUZMMYISQP-IBGZPJMESA-N	410.587	3.998	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cncc(Br)c3)cc2F)C[C@@H](C)O1	917711802	NZLZNFUCWOULNY-BETUJISGSA-N	422.298	3.527	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1	918565893	VDIPTUGMTFDIJH-HSZRJFAPSA-N	421.585	3.971	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4sccn4c3=O)c2C)cc1	919265156	FNACQYPMGLVTTQ-UHFFFAOYSA-N	421.478	3.512	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(-c2csnn2)cc1	919912937	CJISQCKBJXYXDL-UHFFFAOYSA-N	423.542	3.736	10	20	HHCD	
CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920873108	MDHIIEBAQIYIRR-GOSISDBHSA-N	424.545	3.888	10	20	HHCD	
CC(C)CN1C(=O)/C(=C\Nc2ccccc2NCCc2ccccc2)C(=O)NC1=S	920976515	WJKJTXJXKLXRQW-JXAWBTAJSA-N	422.554	3.536	10	20	HHCD	
COC(=O)CN(C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)C1CCOCC1	1118843813	XERWZMSJJBNWNG-UHFFFAOYSA-N	404.894	3.542	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc4nc(C(F)(F)F)cn4c3)CC2)cc1	1255089864	PICPPLXHNXWUGS-UHFFFAOYSA-N	418.419	3.714	10	20	HHCD	
O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)C1CCC1	1816672795	VINYDKUXZHITAI-OAHLLOKOSA-N	418.881	3.580	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)OCCCO3)cc1	69577282	HOPXKZRWYXLMSZ-NRFANRHFSA-N	410.514	3.735	10	20	HHCD	
Cc1cc(C(=O)N2CCN(CCN3CCCC3)CC2)c(C)n1-c1cccc(Cl)c1	195676286	FTDWTGQAEANSIF-UHFFFAOYSA-N	414.981	3.601	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccc(I)cc3)ccc21	303009895	QNXLUFLSIMYGAQ-UHFFFAOYSA-N	406.267	3.604	10	20	HHCD	
COc1ccc(OC)c(NC(=S)NNc2ccc(F)cc2Br)c1	726452663	YUAKOGKGTQCVFP-UHFFFAOYSA-N	400.273	3.919	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)CC2)cc1	726562451	KKHAZLPMMZNQDZ-FQEVSTJZSA-N	417.550	3.570	10	20	HHCD	
CSc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1	727245023	SFFYLWVFHNSTHX-UHFFFAOYSA-N	423.541	3.562	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(C3CC3)[C@@H](C)C3CC3)ccc21	728639647	RBFICMCBTSGKKS-KRWDZBQOSA-N	412.530	3.851	10	20	HHCD	
CCN(CC)C(=O)c1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	729177891	GNCKMLWWDUAMKB-UHFFFAOYSA-N	409.530	3.530	10	20	HHCD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNCc3c(O)cccc3Cl)cc2)C1	733325096	WWSIAIWDOQDFJN-OAHLLOKOSA-N	408.951	3.756	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@H]2OCCc3ccccc32)cc1	734432715	QAUWLTPBUDIQMO-LADGPHEKSA-N	408.542	3.964	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2	734702041	RRBRFNAEFDCWJF-GOSISDBHSA-N	422.573	3.676	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3cccc(S(=O)(=O)NC(C)C)c3)c2)CC1	739599558	TYWCDZPKYFDTPY-UHFFFAOYSA-N	415.559	3.862	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)o2)NC(=O)OC(C)(C)C)cc1	742754508	PBAHAGPVTSRAJL-OAHLLOKOSA-N	407.898	3.995	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1	743088863	CBNDYOSHWITJNX-NRFANRHFSA-N	409.486	3.710	10	20	HHCD	
O=C(NC[C@@H]1CC1(Cl)Cl)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743547152	PFNIFXSMSVDYQO-NWDGAFQWSA-N	408.276	3.750	10	20	HHCD	
CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1	743553211	HIAXGQIMYVTFGJ-HNNXBMFYSA-N	420.554	3.892	10	20	HHCD	
O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NCc1ccccc1O	748349544	GXNGKIMQDXIBMC-UHFFFAOYSA-N	420.494	3.701	10	20	HHCD	
CCN(Cc1ccccn1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	752961512	QMBYQUPASXRWFJ-UHFFFAOYSA-N	404.461	3.884	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3cc(OC)ccc3Cl)C2=O)c[nH]1	753135755	ANLFDVWEYUCQCH-MKMNVTDBSA-N	408.888	3.869	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)C2CC2)cc1	753333614	CXSSZIUCTOXCQI-UHFFFAOYSA-N	416.566	3.874	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cc4ccccc4o3)cc2F)C[C@H](C)O1	754038199	LVULJSPGQBLPMK-GJZGRUSLSA-N	418.490	3.664	10	20	HHCD	
Cc1nc(CN2CCN(CC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)CC2)oc1C	754641894	SLBKTFFMBAYEPE-UHFFFAOYSA-N	424.520	3.839	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2nc3sccn3c2[N+](=O)[O-])cc1	754786851	UGQPUJAJYLMMEL-INIZCTEOSA-N	401.492	3.556	10	20	HHCD	
C[C@@H](NC(=O)Nc1cnn(-c2ccccc2F)c1)c1ccc(N2CCOCC2)cc1	755837428	PEHURXZLBKNBJE-MRXNPFEDSA-N	409.465	3.731	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccn(Cc2ccccc2)c1=O	755856250	UQIJADATRZHBDN-UHFFFAOYSA-N	400.482	3.595	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(N[C@H](C)c2cc(F)cc(F)c2O)CC1	756511973	TXAJSZSOKHNBAH-CQSZACIVSA-N	404.457	3.563	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCCCNC(=O)c2cccc(Br)c2)c1	756527744	REABHRWYNHDINM-ZDUSSCGKSA-N	407.308	3.634	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1	756831878	BFDKFLAYRFTROH-WZONZLPQSA-N	404.510	3.979	10	20	HHCD	
CCOC(=O)Cn1ccc2cc(NC(=O)NCCCSc3nccs3)ccc21	758600560	YNCDBFUGHWNDBM-UHFFFAOYSA-N	418.544	3.965	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)CC1(C)OCCO1	758860787	YHBAWWHNXNEDGT-GOSISDBHSA-N	415.534	3.847	10	20	HHCD	
Cc1ccc(C(C)(C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1	759911545	PWORFKYUSMEJIN-UHFFFAOYSA-N	413.477	3.629	10	20	HHCD	
CCOC(=O)[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)C1CCOCC1	759949307	QKKOYCQENHYJLD-HXUWFJFHSA-N	418.921	3.836	10	20	HHCD	
COCCOc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1F	765257791	CIZGLNSMNQERIQ-UHFFFAOYSA-N	413.243	3.641	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCC(C(F)F)CC2)c([N+](=O)[O-])c1Br	765609895	RABDCKWMRLCADX-UHFFFAOYSA-N	410.171	3.756	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2cccc(Br)c2O)c1	765726642	IFPCEEMRKLMSDF-ZFWWWQNUSA-N	406.276	3.592	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	766976585	ACDRHWHNLZJGAN-NSHDSACASA-N	413.927	3.587	10	20	HHCD	
COc1ccc(N(C)Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1F	767903093	YUPYQDVOWBIMFG-UHFFFAOYSA-N	403.410	3.547	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2nc(C3CCCCC3)cs2)c1	768632410	WBWLQMYFUOQVOX-UHFFFAOYSA-N	410.517	3.625	10	20	HHCD	
CCC(CC)n1nccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	770266568	VTBRYADBPFVBNN-HZPDHXFCSA-N	402.514	3.927	10	20	HHCD	
C[C@H](NCc1cn(-c2ccccc2Br)nn1)c1ccc(N(C)C)cc1	772962116	YCLWJHXHIWLWHJ-AWEZNQCLSA-N	400.324	3.947	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)cc1	773658158	JKCNRCITCIDLGX-UHFFFAOYSA-N	406.408	3.845	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	773739335	FGUSRLHCDFBTCK-NSHDSACASA-N	406.269	3.951	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c2)CC1	781045599	LUGREDSVEWLVJD-UHFFFAOYSA-N	409.383	3.765	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1	782189323	QLIHQCYPCHHVBG-ZSOIEALJSA-N	420.899	3.693	10	20	HHCD	
C[C@@H](CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1	785439563	REJFZHIYWFXVKM-HNNXBMFYSA-N	421.463	3.698	10	20	HHCD	
Cc1ccc([C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C2CC2)cc1	785822366	VXDMYIIIQBZRRI-QHCPKHFHSA-N	405.542	3.820	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@@H]1CCCc2ccccc21	788486815	YXUDTMNCUQAJQQ-QFIPXVFZSA-N	419.569	3.872	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1	788910595	CQADKKIZTJVXIL-FGZHOGPDSA-N	405.542	3.746	10	20	HHCD	
C[C@H](CCC1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789864072	LTCUUPKSPPPRAB-GOSISDBHSA-N	417.619	3.721	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)c1	792238348	QUBYVBANXWOVQV-CYBMUJFWSA-N	401.463	3.563	10	20	HHCD	
CCOc1cc(N2CCN(Cc3cc(Cl)cc(OC)c3O)CC2)ccc1[N+](=O)[O-]	793305322	YANYVEAKIBDGPH-UHFFFAOYSA-N	421.881	3.683	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C[C@H](C)NCc2ccc(OC)cc2O)sc(C)c1C	793388060	KCNASZGNHBPJOD-LBPRGKRZSA-N	420.531	3.763	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnc(C)c(C(=O)OC)c3)n2)cc1	794001907	KIQQHWNLBVSSES-UHFFFAOYSA-N	417.512	3.663	10	20	HHCD	
Cc1cc(C(=O)CSCCC(F)(F)F)c(C)n1-c1ccc(S(N)(=O)=O)cc1	794536908	UAWSDJCTVSOJGE-UHFFFAOYSA-N	420.478	3.610	10	20	HHCD	
COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(Br)c1	795172324	FKNDCQJKLUWRHH-LBPRGKRZSA-N	413.337	3.563	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)cc1C	796675083	MGQPZKYGSFMYOB-UHFFFAOYSA-N	408.454	3.778	10	20	HHCD	
CCCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Cl	797617574	FQUXEOJIYWDMDC-LBPRGKRZSA-N	405.882	3.644	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1	801551738	QNLNNWLFEAZQBO-IBGZPJMESA-N	401.551	3.885	10	20	HHCD	
COC(=O)c1c(F)cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1F	801840043	DPKMMAWLXFXMMK-UHFFFAOYSA-N	421.469	3.626	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H]3c3ccsc3)cc2)CC1	805025319	NRCDPKMFUDJPSA-NRFANRHFSA-N	411.571	3.964	10	20	HHCD	
CC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1cc(Cl)cc(Cl)c1O	806134602	ZYJOTKBVXQCDOH-INIZCTEOSA-N	403.331	3.848	10	20	HHCD	
COc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806223708	IINJBZKSLJQESY-UHFFFAOYSA-N	412.273	3.731	10	20	HHCD	
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	806232711	FLXPITCZWVOJPP-JTQLQIEISA-N	412.273	3.994	10	20	HHCD	
COc1ccc(-c2nnc(SCC(=O)C(C)=O)n2-c2ccc(Cl)cc2)cc1	808014516	LKSCXAZFNKJWTG-UHFFFAOYSA-N	401.875	3.847	10	20	HHCD	
COc1ccc(O)c(CNc2ncc(Cl)c(NCc3cc(OC)ccc3O)n2)c1	811806433	WOBNISSNLYRTSJ-UHFFFAOYSA-N	416.865	3.783	10	20	HHCD	
Cc1nsc(NC2CC2)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	814327986	VQHYSLCEPAWBHN-BETUJISGSA-N	418.538	3.709	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1Br	814970586	VCOXAGBZKCIFNN-LBPRGKRZSA-N	418.244	3.525	10	20	HHCD	
Cc1cccc(NC(=O)CN2CCN(Cc3ccc4ccccc4c3O)CC2)c1C	816482676	OWNQNBROVPFIMA-UHFFFAOYSA-N	403.526	3.919	10	20	HHCD	
COC(=O)c1ccc(CN2CCN(c3ccc(OC)cc3)CC2)c(Br)c1	827309936	INRXHXMVMIHJMU-UHFFFAOYSA-N	419.319	3.567	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)CCn3ccnn3)n2)c(C)n1-c1ccc(F)cc1	829484709	OYDCSFLZWUBYGM-UHFFFAOYSA-N	410.478	3.977	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OCc4cccnc4)cc3)CC2)cc1	914164001	MKHAXRLUCPMCFY-UHFFFAOYSA-N	403.482	3.632	10	20	HHCD	
CCCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1	915266788	CWLRPJJQYXOVMH-UHFFFAOYSA-N	411.546	3.871	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N(C)Cc2ccccc2O)c1	917581453	DMSJNGSHRYHRNR-UHFFFAOYSA-N	421.588	3.560	10	20	HHCD	
CNS(=O)(=O)c1cc(NC(=O)c2sccc2-n2c(C)ccc2C)ccc1C	917931817	RNCVUBIPSLACIZ-UHFFFAOYSA-N	403.529	3.624	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2cccnc12	919907418	FXDQOPZUFKEKQD-UHFFFAOYSA-N	410.449	3.541	10	20	HHCD	
O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1	920002664	DPFJJKYXIRLIJZ-UHFFFAOYSA-N	403.486	3.764	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(-c3cnn(C)c3)cc2)SC1=S	1116890234	QTAKJPLJIGTWFY-ZDLGFXPLSA-N	414.600	3.876	10	20	HHCD	
Cc1cc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(C)o1	1318911649	YEMQZCPUNOALTM-LBPRGKRZSA-N	420.512	3.955	10	20	HHCD	
COC(=O)C[C@]1(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CCCOC1	1342806794	KQNLUGXJPLGVOD-OAQYLSRUSA-N	404.894	3.590	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CCCC1)c1cc(O)c(O)c(Cl)c1	1800116643	BZIBSYOASQFWMT-ORIYUZMUSA-N	418.921	3.749	10	20	HHCD	
C[C@@H](OC(=O)c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	7533824	XNJFMXYCWLAVDX-GFCCVEGCSA-N	405.431	3.708	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1	8170897	FUSNFPUEDMDJSC-UHFFFAOYSA-N	403.482	3.591	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCNC(=O)c3ccco3)c2C)cc1	21747073	GSGZXLBZLLBTFJ-UHFFFAOYSA-N	408.454	3.542	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnn(-c3ccccc3)c2)cc1	96956541	UBXPIQNHLZMNIG-HSZRJFAPSA-N	404.514	3.760	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)N1CCc2ccccc2C1	303793401	QQJMFEDUKXAUPM-NBGIEHNGSA-N	421.585	3.707	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccncc3OCC(F)F)ccc21	508352712	OKIXLMYBUDXQGI-UHFFFAOYSA-N	417.456	3.873	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)n(C)c2ccccc12	551120358	HRSWRRBZUMRAKZ-KRWDZBQOSA-N	407.514	3.768	10	20	HHCD	
O=C(NCCc1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCOCC2)cc1	726236725	QYWPYWNEZHOKEG-UHFFFAOYSA-N	408.329	3.872	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=S)Nc3ccc(Cl)nc3)cc2F)C[C@H](C)O1	727077215	FDCBBTMAOUQHDJ-STQMWFEESA-N	408.930	3.974	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)N2CCC[C@@H](CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	727104197	ZLXYGOTUSXAYGR-IAGOWNOFSA-N	406.473	3.971	10	20	HHCD	
Cc1cc(C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)c(C)n1-c1ccccn1	727406463	VRROBHGOJRPWGY-UHFFFAOYSA-N	418.497	3.882	10	20	HHCD	
CCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	729178164	INIPANIEYJQQRV-IBGZPJMESA-N	423.557	3.886	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1O	729859150	IAONUMSHPHKFCF-GJZGRUSLSA-N	413.474	3.721	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(Cc3ccccc3)C3CC3)cc2F)CC1	730135027	PZYRQPPDMVTLGS-UHFFFAOYSA-N	410.537	3.842	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1F	731405408	ZWFJXSIKRLLWNJ-QGZVFWFLSA-N	422.545	3.728	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn3cccnc23)cc1	732115160	USORXCJPHOQUNE-UHFFFAOYSA-N	401.470	3.651	10	20	HHCD	
CCc1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n(C)n1	734781970	LVFFGMPXWDQCRY-KAMYIIQDSA-N	420.585	3.664	10	20	HHCD	
CC[C@H](c1ccncc1)N(CC)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	739887808	LHKZCXLNMSSZGT-HSZRJFAPSA-N	411.546	3.795	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3nc(C(F)(F)F)cs3)CC2)cc1	740918544	HXKZKYBDAKBNME-UHFFFAOYSA-N	414.453	3.592	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3nc(C(F)(F)F)cs3)CC2)cc1	740918569	ITZPWGBFROMSPY-UHFFFAOYSA-N	414.453	3.639	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	741177852	RCOVILZZMWKCMH-NRFANRHFSA-N	416.610	3.957	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1	743337110	QVNDWPKFKYKCOK-HNAYVOBHSA-N	414.502	3.887	10	20	HHCD	
Cc1nc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sc1C	743554989	NYCSMWXWOSVINV-CHWSQXEVSA-N	406.527	3.512	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)Cc1c(C)nn(C)c1C	743808608	ZNLHMLGGTBPDCO-GFCCVEGCSA-N	408.340	3.732	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1OC(=O)c2ccccc21	743808773	DQSFJEFUJPWSOG-QGZVFWFLSA-N	404.260	3.805	10	20	HHCD	
CCCc1noc(CCCC(=O)N(CC)Cc2cc(Br)ccc2O)n1	743808941	HXXYWUZFOGMOJM-UHFFFAOYSA-N	410.312	3.862	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCCN(c4ccc(C)cc4)C3)CC2)cc1	745795791	JAPGZKVIEUENPM-NRFANRHFSA-N	422.573	3.941	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cc(C)cc(F)c2)nc1-c1ccccc1	747856302	TUZHJLYLVWBIDH-UHFFFAOYSA-N	420.487	3.774	10	20	HHCD	
O=[N+]([O-])c1cc(CNCCc2nnc(-c3ccccc3)o2)ccc1N1CCCCC1	747924362	MXXCXSHRZURFGT-UHFFFAOYSA-N	407.474	3.967	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1CCC(C)C	749772282	VSYPUDHYEIPTEV-IRXDYDNUSA-N	416.541	3.920	10	20	HHCD	
CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)s1	751137725	VWLDYMOSPGHLBV-UHFFFAOYSA-N	422.572	3.613	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccc(-n3cccn3)cc2)cc1	751403711	DTYLRLNFIDXRDY-XMMPIXPASA-N	418.541	3.689	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c(OC)c1	752108954	DNTUFQDVFTYTQJ-GOSISDBHSA-N	414.502	3.521	10	20	HHCD	
CC(C)n1cc([C@H](C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1	754795497	YRMUDRSBTJBONR-HNNXBMFYSA-N	416.481	3.529	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(NC(=O)c3ccncc3)cc2)c1	756511022	KWNXAFQTJQKWAA-OAHLLOKOSA-N	405.454	3.677	10	20	HHCD	
C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1cc(Br)c(F)cc1O	756511996	UNUHQTCZVRGITA-NSHDSACASA-N	416.312	3.689	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H](C)c2cc(F)cc(F)c2O)s1	756531741	BRVYGEVSWWNONP-LBPRGKRZSA-N	418.531	3.656	10	20	HHCD	
C[C@H](NCC1CCN(C)CC1)c1cc(Br)cc(Br)c1O	756545585	NCFYPLXVUCKGOZ-JTQLQIEISA-N	406.162	3.910	10	20	HHCD	
COc1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(F)c1	758740647	PFPMRJZUTWQFIW-UHFFFAOYSA-N	423.435	3.904	10	20	HHCD	
C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc[nH]1	760731117	OABMWQTUXIJMID-CMHHUMAZSA-N	405.570	3.935	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OC[C@H]1CCCOC1	760743803	KXJUDBUYCKDZMT-LERPTODRSA-N	411.570	3.699	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](C)c3ccc(OCC(=O)NC4CC4)cc3)CC2)cc1	765073950	ACQMJOIPLFBQHQ-GOSISDBHSA-N	423.557	3.672	10	20	HHCD	
Cc1nnc(-c2ccc(NC(=O)NCc3cccc(Br)c3O)cc2)o1	765297564	JFHWNQUPEACNKE-UHFFFAOYSA-N	403.236	3.835	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2cccc(Br)c2O)c(C)cc1C	765390083	QCNPUPRHJYSHAQ-UHFFFAOYSA-N	407.264	3.880	10	20	HHCD	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	766743827	QXJVBLCTBJURLW-UHFFFAOYSA-N	412.487	3.747	10	20	HHCD	
O=C1/C(=C\c2cncc(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2	767361662	WQQKMMHBTHGOEF-LNKIKWGQSA-N	421.297	3.979	10	20	HHCD	
Cc1ccc(CNC(=O)C2CCN(Cc3cccc(Br)c3O)CC2)cc1	769191994	XUVAOOMZIRHQHK-UHFFFAOYSA-N	417.347	3.992	10	20	HHCD	
CC(C)CCN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CC1	769669560	ZFLDDHZAPDIGKY-UHFFFAOYSA-N	408.545	3.905	10	20	HHCD	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	772597745	CAPOIZUVCKXWFL-AUSIDOKSSA-N	411.546	3.567	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H](O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	772609760	OUWIICSRKCYZLE-VTJXTGGHSA-N	420.912	3.833	10	20	HHCD	
COCC[C@@]1(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CCOC1	773345667	UCYJZAFAUCVZAI-HXUWFJFHSA-N	421.335	3.782	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	773740623	RWKGHEOEALXXQE-FZMZJTMJSA-N	423.296	3.505	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O	773765897	DCNRBJOFACPWOQ-GFCCVEGCSA-N	402.447	3.511	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@@H]([C@H]2CCOC2)C1	775726736	YMVYVVXIEUCHTO-MNOVXSKESA-N	405.130	3.776	10	20	HHCD	
Cc1cnc(Br)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	776050698	XMAJBDRVEKPIHL-CQSZACIVSA-N	419.323	3.872	10	20	HHCD	
COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2)CC1	776301755	BTLDTULUHRWCGU-UHFFFAOYSA-N	414.508	3.816	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@](O)(c4ccc(F)cc4)C3)c2C)cc1	777490318	GFZQGKWCDOCJCT-DEOSSOPVSA-N	408.473	3.976	10	20	HHCD	
CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	778623562	CXJUCMJSCPJVLW-HRAATJIYSA-N	417.937	3.752	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCCNC(=O)c2c(F)cccc2F)c1O	779030656	CVTLXWXWUHSVAW-LLVKDONJSA-N	413.262	3.822	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(CCN1CCCC1)Cc1ccc(Cl)cc1	779514388	LLZIAQSCZJJTCI-UXBLZVDNSA-N	400.906	3.889	10	20	HHCD	
CC(F)(F)c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	782104346	CMTLSXYWKWTBMG-GOSISDBHSA-N	418.440	3.650	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1	782647747	FQWOKIRKLURUNP-RRFJBIMHSA-N	407.511	3.597	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cc3c(cc2Cl)OCO3)cc1	784108320	XFFUILXKFWHCBV-UHFFFAOYSA-N	415.877	3.813	10	20	HHCD	
C[C@H](CC1CCCCC1)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	787017160	YEDLVGAJJUHATG-XLIONFOSSA-N	400.567	3.546	10	20	HHCD	
CCn1ccc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	790397087	JHGRCZOXBFSGRH-KRWDZBQOSA-N	406.477	3.920	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790910675	FFYNGKJXMUJABQ-FPOVZHCZSA-N	420.557	3.729	10	20	HHCD	
CN(C)S(=O)(=O)c1ccccc1NNC(=S)Nc1ccc(Cl)c(Cl)c1	793325458	FMVVAMHVZNUZDE-UHFFFAOYSA-N	419.359	3.557	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)Cc1nc2ccccc2[nH]1	798849598	DFNHHWWYXGARKG-UHFFFAOYSA-N	406.530	3.627	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1c[nH]c2cccc(C)c12	804621745	FCDHTDRAMSXSAP-UHFFFAOYSA-N	407.514	3.670	10	20	HHCD	
Cc1cccnc1SCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	804921884	IGWHAOTZMKIYIQ-HZPDHXFCSA-N	403.523	3.551	10	20	HHCD	
C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCN1Cc1ccccc1	807621832	LEGDFIJSEAHQCD-WTIAFYNJSA-N	423.557	3.746	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1O	809658187	GVESJVFLUHPPMA-SNVBAGLBSA-N	404.810	3.863	10	20	HHCD	
CN(Cc1cc(Br)cc(Br)c1O)C1C[C@@H]2CC[C@H](C1)N2C	809705016	LXCAFOCQWPZFKG-PBWFPOADSA-N	418.173	3.974	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncc(C(F)(F)F)c1	809727611	PNCJNIWCYUCBAY-INIZCTEOSA-N	413.827	3.854	10	20	HHCD	
Oc1ccccc1[C@H](CCc1ccccc1)NC[C@@H](N1CCOCC1)C(F)(F)F	815625906	PTLYJXBBFXEVTN-PZJWPPBQSA-N	408.464	3.919	10	20	HHCD	
CC1CCN([C@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C(C)C)CC1	916438758	BQLXBVGYVJWOER-FCHUYYIVSA-N	417.594	3.839	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)CCOc3ccccc3)cc2F)C[C@H](C)O1	918219308	ADKHACKBZQKODI-ROUUACIJSA-N	415.509	3.660	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(NC(=O)C2CC2)CC1	918407482	CJVORDMQDNHAMI-UHFFFAOYSA-N	419.485	3.558	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21	919565639	GVFYYZZVHDKERF-OAHLLOKOSA-N	423.494	3.686	10	20	HHCD	
CCN(CCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	920872957	ZXGAJGFNTSQRPT-FQEVSTJZSA-N	410.562	3.800	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CCn3cc([N+](=O)[O-])nc3C)c2C)c1	920907119	XQSAXKOMIGXNRD-UHFFFAOYSA-N	424.457	3.632	10	20	HHCD	
C[C@@H](NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	920920260	DOMWJNRJHPGMGT-DVECYGJZSA-N	423.557	3.739	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccc(F)cc1	921089320	WAZIENLAIKUTII-KGVIQGDOSA-N	413.537	3.947	10	20	HHCD	
CC1(C)CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)C1	1791648483	JFFHRWCBZRKVKN-UHFFFAOYSA-N	409.486	3.677	10	20	HHCD	
COc1ccc(-c2noc(CCCC(=O)NCc3ccc(N4CCCC4)cc3)n2)cc1	46686260	PYBQNELCFNNWPY-UHFFFAOYSA-N	420.513	3.985	10	20	HHCD	
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCc1ccc(N(C)C)c(F)c1	51646928	HJBSNLPGWDCNRY-UHFFFAOYSA-N	400.498	3.908	10	20	HHCD	
CCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)cc1	71564997	VKVGOTYXSFSLQM-UHFFFAOYSA-N	416.524	3.889	10	20	HHCD	
O=C(COc1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	216589576	JUVBQAVMMNBGAR-SFHVURJKSA-N	409.404	3.998	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c(C)n1-c1ccc(F)cc1	219377059	XZCBOHSSWQBIIX-UHFFFAOYSA-N	419.453	3.996	10	20	HHCD	
CC(C)(C)[S@](=O)Cc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1	609700605	AHHFCAQASVXDPK-RUZDIDTESA-N	409.558	3.539	10	20	HHCD	
O=[N+]([O-])c1ccc(N2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)cn1	726960856	HERAYGWCOYROBQ-UHFFFAOYSA-N	404.426	3.917	10	20	HHCD	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	727150335	AJGQHWYNJJZXJD-GOSISDBHSA-N	405.564	3.603	10	20	HHCD	
CCOc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1C	727611953	BGSBYNWXQQOUCD-UHFFFAOYSA-N	408.454	3.860	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1O	727762520	OGXGQMVYSRHCQA-UHFFFAOYSA-N	406.442	3.916	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1	728223025	RWRUUZXSMKSSQH-UHFFFAOYSA-N	408.951	3.862	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3cc(F)ccc3F)ccc21	728639789	UJONSBXOCSBKRY-UHFFFAOYSA-N	416.424	3.978	10	20	HHCD	
COC(=O)c1coc(C(=O)COC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1	729113755	NCLNHPQALBVUEX-UHFFFAOYSA-N	411.410	3.522	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(F)c1	729482531	HKOYOFASMANMTB-UHFFFAOYSA-N	414.449	3.683	10	20	HHCD	
FC(F)(F)Cn1ccnc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F	729678334	RRPSZGXCLSDZCF-UHFFFAOYSA-N	422.373	3.591	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@@H](CO)Cc3ccc(F)cc3)cc2)CC1	731120741	AWQVZXUZEMGBKL-NRFANRHFSA-N	413.537	3.712	10	20	HHCD	
Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cc(C)n(-c2ccccn2)c1C	731626535	YAYCPTFIIMUXKR-FQEVSTJZSA-N	420.538	3.951	10	20	HHCD	
O=C(/C=C\c1ccc(I)o1)NCCCSc1nccs1	733973535	OISULAFFIZIUEA-HYXAFXHYSA-N	420.297	3.653	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	733974983	STQPOCDHPHEWFF-UHFFFAOYSA-N	421.422	3.905	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)c1	734068041	BSQWBWYHEYYEOM-OAHLLOKOSA-N	403.910	3.688	10	20	HHCD	
CCOCCCN1CC[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C)C1	734508721	CTEUYEAUWDHMQK-TZIWHRDSSA-N	418.582	3.812	10	20	HHCD	
COc1ccc(Cl)cc1NCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517458	CADQRFGMBPLJNV-KRWDZBQOSA-N	404.894	3.674	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc(F)c(NS(C)(=O)=O)c3)c2)CC1	739754708	QXEZIXISRQHJTN-UHFFFAOYSA-N	405.495	3.686	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N3CC(C)(C)[C@@H]3c3ccccc3)CC2)cc1	742940793	YCICZXUSTIBYAK-QHCPKHFHSA-N	422.573	3.610	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)Cc1cccs1	743646599	WDLXZVVCBCRKGI-HNNXBMFYSA-N	405.539	3.526	10	20	HHCD	
C[C@@H](Cc1c(F)cccc1F)NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1	743841836	ZHSJBKGHPVKNLF-INIZCTEOSA-N	401.501	3.743	10	20	HHCD	
COC1(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CCOCC1	747126233	UKSWSBFFZXYZFT-UHFFFAOYSA-N	421.335	3.782	10	20	HHCD	
CCS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	748961318	REGAULDPJZDMPU-SJLPKXTDSA-N	409.571	3.650	10	20	HHCD	
CCN1CC[C@H](N(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@H]1C	748964069	OHVZQNIJFSPIBI-AOIWGVFYSA-N	424.536	3.771	10	20	HHCD	
Cc1ccc(Br)cc1NC(=O)CCNC(=O)N(C)Cc1ccccc1O	749017538	NYVYGEBVUJJCSI-UHFFFAOYSA-N	420.307	3.633	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccccc1Br	749186380	OZCSIYCVBOVDON-YOEHRIQHSA-N	418.335	3.631	10	20	HHCD	
CSc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n1	751403741	DZEZNMVYAYJXOB-MRXNPFEDSA-N	420.966	3.739	10	20	HHCD	
O=C1CCCCN1Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	752156376	PMFIIXUKCPJFTB-QFIPXVFZSA-N	422.525	3.726	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@](=O)[C@@H](C)[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	754649333	CXCBLFCKZTWDQO-NIDLEFHJSA-N	424.513	3.720	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1CC(C)C	755578459	CYTFBYGZCNNERP-IRXDYDNUSA-N	416.541	3.784	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3Cl)CC2)cc(OC)c1OC	759223653	SSFBUKOBJBPRSK-UHFFFAOYSA-N	418.921	3.945	10	20	HHCD	
CC(C)n1cc2c(n1)[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CCC2	765920735	MOZQWGLRNIJKKD-VQTJNVASSA-N	412.534	3.938	10	20	HHCD	
CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	767900966	QOGKBRMBLXXXHX-AWEZNQCLSA-N	401.894	3.626	10	20	HHCD	
CN(CC1CCOCC1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	767926707	KAXABBRWGBWQNT-FOWTUZBSSA-N	424.613	3.615	10	20	HHCD	
CC[C@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	768259199	YWVUDDBTGHGJGC-FQEVSTJZSA-N	411.521	3.833	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](C)CCCOc3ccccc3C(N)=O)CC2)cc1	768685990	GDRVWUGIWOIELA-GOSISDBHSA-N	411.546	3.600	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cc(C(F)F)ccc3Cl)ccc21	768723256	XAUHCCKWPCMSPP-UHFFFAOYSA-N	407.848	3.915	10	20	HHCD	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	769471943	ZGGMDUROACBNHS-UHFFFAOYSA-N	408.502	3.543	10	20	HHCD	
C[C@@H]1CCC[C@H](N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	769674560	QTJMVJLEALARSC-HIFRSBDPSA-N	408.545	3.905	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1Br	771924276	IEEIULUACGLSOP-SECBINFHSA-N	420.285	3.996	10	20	HHCD	
COCCCOCCN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12	773271949	QFHQKOWHNHSRBM-UHFFFAOYSA-N	411.498	3.959	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN[C@H](C)c2cc(OC)ccc2O)sc(C)c1CC	775371762	RJXITNPEWUCHCH-GFCCVEGCSA-N	420.531	3.799	10	20	HHCD	
C[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	775407812	WUDOJBBYTJWYOU-FIOICXDGSA-N	403.482	3.994	10	20	HHCD	
CC[C@@H](NCC1CCN(S(=O)(=O)CC)CC1)c1ccc(Cl)c(Cl)c1O	775551946	PVZJZOZTAWZSGF-OAHLLOKOSA-N	409.379	3.801	10	20	HHCD	
C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C1CCN(C)CC1	777302458	PTTXUZXWLGGUBD-LAUBAEHRSA-N	404.599	3.638	10	20	HHCD	
CC(C)[C@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1	778484753	BFBROIPSDDUHMQ-YLQKULKDSA-N	424.613	3.613	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21	779534195	MGVVYTYTKIURJQ-HEAKDJBOSA-N	415.489	3.974	10	20	HHCD	
CN1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c2ccccc2C1=O	783277323	GXEXSBLJTXOFES-IBGZPJMESA-N	419.447	3.513	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1	785298043	UVFICIUBFJXFMV-OAHLLOKOSA-N	406.438	3.576	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCc2cccnc21	788913273	WTAXETZGEDDOPB-QFIPXVFZSA-N	420.557	3.614	10	20	HHCD	
O=C(NCc1ccccn1)c1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1Cl	789890794	VZAUIXVKDMKODI-UHFFFAOYSA-N	412.833	3.891	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H]3C[C@@H](C)c4c(C)cccc43)cc2)CC1	792606481	GDRVOEKTPPYUDV-DENIHFKCSA-N	419.569	3.961	10	20	HHCD	
C[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)C[C@@H](C2CC2)O1	793213498	DMSHSWRELOIWOI-OTYXRUKQSA-N	405.130	3.917	10	20	HHCD	
COC(=O)C[C@@](C)(NCc1cc(Cl)cc(C(C)=O)c1O)c1cccc(OC)c1	796035359	VHPNZXHNDYIJEH-OAQYLSRUSA-N	405.878	3.825	10	20	HHCD	
CC[C@H](C)NC(=O)CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799888024	IMSCUHKSOXRIEO-HOTGVXAUSA-N	408.974	3.680	10	20	HHCD	
CC(C)[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)N1CCCC1=O	800049825	WXNJYMSWMOFEKV-IIBYNOLFSA-N	405.970	3.840	10	20	HHCD	
Cc1cc(-c2nnc(N3CCC(O[C@H]4CCOC4)CC3)n2C)c(C)n1-c1ccccc1	800731876	YYYGFVJCTSLATF-NRFANRHFSA-N	421.545	3.664	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)c(C)n1-c1cccc(Cl)c1	804439630	YFZJMJNKBOJOHU-MGPUTAFESA-N	401.938	3.683	10	20	HHCD	
CCOc1ccc(NC(=O)CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	806539549	RYYFSCMMCZDLGU-UHFFFAOYSA-N	412.273	3.536	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccnc1I	807837963	HTHMGLLMJIKOFE-UHFFFAOYSA-N	423.037	3.629	10	20	HHCD	
Cc1ccccc1-n1cc(CNCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nn1	808382394	YFKWAKJDYOVQGM-HDICACEKSA-N	409.509	3.618	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1	809195730	LJJOQOHLDSGQGS-TZIWHRDSSA-N	411.521	3.693	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@@H](c3nc[nH]n3)C3CCCCC3)cc2F)C[C@@H](C)O1	813854851	GFZLGUCAVLCRMG-WHSLLNHNSA-N	401.530	3.969	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1	915340530	PFYGQCCTOZLRTB-UHFFFAOYSA-N	424.545	3.669	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1[N+](=O)[O-]	916659102	HDVHVKHUHYCXRY-OVCLIPMQSA-N	416.436	3.707	10	20	HHCD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	916732260	AZLMMCZKIRCXEN-QGZVFWFLSA-N	402.922	3.911	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3cccc(Cl)c3)cc2F)C[C@@H](C)O1	917713018	ZHLAATJMWVTKQO-HUUCEWRRSA-N	406.885	3.788	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2Br)cc1	918429488	JBPLTEUGGUWODJ-UHFFFAOYSA-N	418.335	3.859	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(CC(F)(F)F)CC1	918431519	QMNZPKIRJDMLBI-UHFFFAOYSA-N	419.407	3.747	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1	918444695	ZIGGDUSTRPAQIA-UHFFFAOYSA-N	403.482	3.626	10	20	HHCD	
CN(Cc1ccoc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	918664509	FRBQXQKUVBPPKT-XNTDXEJSSA-N	406.554	3.981	10	20	HHCD	
COC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cn1	919055179	DEBFMRMIYDCDGE-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCN2CCc3sccc3C2)cc1	919784144	FGSWPSFOQGWIAI-UHFFFAOYSA-N	400.592	3.794	10	20	HHCD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919968317	CNGOUQVUVRPBMJ-KRWDZBQOSA-N	416.949	3.941	10	20	HHCD	
COCCC(=O)N1CCC(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1	1319434285	VNQDRUVGXXPFLZ-UHFFFAOYSA-N	417.937	3.505	10	20	HHCD	
CCS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	1328736458	KEGHOJHQYQKERK-UHFFFAOYSA-N	401.532	3.743	10	20	HHCD	
CCOC(=O)N1CCC(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1	24275059	PACLTNDCVSJEDV-UHFFFAOYSA-N	412.486	3.689	10	20	HHCD	
Cc1c(CNC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)n(C)c2ccccc12	471236090	VJLFXOVZZGGQOO-UHFFFAOYSA-N	405.498	3.847	10	20	HHCD	
NC(=O)Cc1occc1C(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21	511748014	GDWMOFZQAXGWBJ-UHFFFAOYSA-N	423.513	3.809	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)cc1)C1=S=CC=C1	533853197	XXAOHEFTTWGDMK-UHFFFAOYSA-N	422.897	3.994	10	20	HHCD	
O=C(COc1ccc(F)cc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726567378	JMRFLGXUJYDNLE-UHFFFAOYSA-N	412.383	3.730	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)N[C@H](C)c2cc(OC)ccc2O)N2CCCC2)cc1	729041418	RBEVQLJJFLOIFQ-IIBYNOLFSA-N	413.518	3.607	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)C3(C(=O)NC4CC4)CCC3)c2C)c1	729736889	ISWALZMJWQMRPQ-UHFFFAOYSA-N	408.498	3.577	10	20	HHCD	
CCOC(=O)N(C)C1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	731049647	IERVEBRWXJHPLT-UHFFFAOYSA-N	416.566	3.685	10	20	HHCD	
O=C(c1ccc(-c2ccccc2)nc1O)N(Cc1ccccc1O)C[C@@H]1CCCO1	731856092	JKMWBCKNXPOKNK-IBGZPJMESA-N	404.466	3.981	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](OCc4ccncc4)C3)c2C)cc1	734459755	MHXXWLZLHIXAFZ-JOCHJYFZSA-N	405.498	3.929	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@@H]1c1c(F)cccc1F	734867501	OOZKMENIEQULGE-GHTZIAJQSA-N	415.484	3.529	10	20	HHCD	
CC(=O)Nc1cccc(NC(=S)NNc2c(F)cc(F)cc2Br)c1	741863162	RXKNTGTUGNHUFT-UHFFFAOYSA-N	415.263	3.999	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1F	742071919	VVCXAHQBPIKYMW-UHFFFAOYSA-N	418.900	3.785	10	20	HHCD	
Cc1cc(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)c(C)n1-c1ccccn1	742794901	PPMAGEADSKNOIL-UHFFFAOYSA-N	416.481	3.644	10	20	HHCD	
CC1(C)CC(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC(C)(C)N1	743523589	BDJDVYGUQCHQBZ-OAHLLOKOSA-N	424.536	3.865	10	20	HHCD	
Cc1cccc2oc(CCNC(=O)NCc3ccc(N4CCSCC4)cc3)nc12	743555078	PIYQSALIHKDRAG-UHFFFAOYSA-N	410.543	3.731	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(-n2cccn2)cc1	743711242	JEHRNWMGMSMQKP-LJQANCHMSA-N	419.529	3.612	10	20	HHCD	
Cc1noc(C)c1CN(C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	745982693	YQFXAYMLBRYKEB-UHFFFAOYSA-N	409.486	3.785	10	20	HHCD	
CC[C@@H](C(=O)N1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1)c1ccccc1	749191006	OBULACUWLLQZGY-HSZRJFAPSA-N	422.573	3.737	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1Cc1ccccc1	751084703	HIGCTEHWWCEJMT-AUSIDOKSSA-N	406.574	3.921	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3ccc(F)cc3F)cc2F)C[C@@H](C)O1	751647340	XQCJTUXQQMOYFN-GASCZTMLSA-N	406.448	3.967	10	20	HHCD	
CN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccc(N5CCCC5)cc4)ccc1c23	753831618	VGUYXDCZVRBHID-UHFFFAOYSA-N	421.522	3.509	10	20	HHCD	
Cc1c([N+](=O)[O-])cnc(NCc2ccc(N3CCOCC3)cc2)c1Br	754018672	IQQBRRNOENLFJD-UHFFFAOYSA-N	407.268	3.509	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc2ccncc12	756156461	QZBFMPUDBSVVAC-UHFFFAOYSA-N	402.498	3.822	10	20	HHCD	
CC(=O)Nc1cccc(OCCN[C@@H](C)c2cc(Br)cc(F)c2O)c1	756683421	RFCYWBWMUGEXMG-NSHDSACASA-N	411.271	3.982	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3cccc(C)c3C)CC2)cc(OC)c1OC	758919982	RNWUETSZTWFQMW-UHFFFAOYSA-N	415.559	3.848	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N(Cc1ccccc1)c1ccccc1	759587640	BULWGZWURKLKBY-WYMLVPIESA-N	403.434	3.888	10	20	HHCD	
Cc1ccc(-c2nc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cs2)n1C	759675109	KWVHYMYSIPWLAA-QGZVFWFLSA-N	411.527	3.984	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@@H](C)S(=O)(=O)CC3)c2C)c1	759987388	DSXQSQDTVMYLRN-MRXNPFEDSA-N	420.600	3.508	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3oc4ccc(F)cc4c3C)CC2)cc1	760539859	HCVQFJOORSKFKW-UHFFFAOYSA-N	418.490	3.790	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	760952172	XZQSUQJLWIXQIB-UHFFFAOYSA-N	424.888	3.813	10	20	HHCD	
COc1cc(N2CCN(Cc3cnc(C(C)(C)C)s3)CC2)cc(OC)c1OC	761218319	ASNIBDUGPNVTEO-UHFFFAOYSA-N	405.564	3.789	10	20	HHCD	
O=[N+]([O-])c1ccccc1C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1	765285746	FUDLYUDVVNKVGO-HSZRJFAPSA-N	409.530	3.914	10	20	HHCD	
CCS[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)n1	766917287	FWIRBJRSQXBCMW-AWEZNQCLSA-N	403.552	3.608	10	20	HHCD	
COc1ccc2c(c1)OC[C@H](N[C@@H](C)c1ccc(N3CCOCC3)cc1Cl)C2	773139050	MPFHGDZJBOTRMQ-DOTOQJQBSA-N	402.922	3.840	10	20	HHCD	
O=C(c1cnc(Oc2ccccc2)cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1	773497449	QDGNTDDXCUIIIQ-IBGZPJMESA-N	405.454	3.796	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)nc1	773615305	VWZJHXDIXCLJNL-PKOBYXMFSA-N	409.534	3.577	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(N2CCOCC2)cc1	775257752	NGACGSZROGWVNZ-INIZCTEOSA-N	419.928	3.625	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1	778674170	KOOZGGSGBAEUER-KRWDZBQOSA-N	414.912	3.933	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCc1ccc(O)c(O)c1)c1ccccc1	778919201	WIWJUGQTVUHJAA-KRWDZBQOSA-N	400.475	3.760	10	20	HHCD	
CCOC(=O)[C@@H](NCc1cccc(Br)c1O)c1ccc(OC)c(F)c1	779186573	SCAAOMJGGBCVFD-INIZCTEOSA-N	412.255	3.696	10	20	HHCD	
O=C1CCCN1CC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21	780778615	CGLBKLJSGCKACH-HXUWFJFHSA-N	423.532	3.779	10	20	HHCD	
COC(=O)C1(CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CCOCC1	782063142	JUSSAQIHDMVSIO-UHFFFAOYSA-N	412.530	3.917	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(OCC(F)F)c1	784030459	PNJQPAPVYYLCNU-UHFFFAOYSA-N	406.429	3.722	10	20	HHCD	
CN(Cc1nnc2ccccn12)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	784044299	RQENFMUUCNTMDP-UHFFFAOYSA-N	413.441	3.742	10	20	HHCD	
COc1cccc([C@H]2C[C@H](C)CN2C(=O)NCc2ccc(N3CCOCC3)cc2)c1	784240231	DBAHGJQQJRWHPE-FDDCHVKYSA-N	409.530	3.825	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(=O)c4ccccc43)cc2F)C[C@@H](C)O1	785888830	XTIPCJOJGUFKBE-GQIGUUNPSA-N	410.489	3.816	10	20	HHCD	
COc1cccc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n1	790982620	VQWLALFZWYBSKD-LJQANCHMSA-N	400.523	3.512	10	20	HHCD	
CCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1C	792493355	RPUPIRRYPPFFKL-UHFFFAOYSA-N	419.529	3.901	10	20	HHCD	
COc1ccc(CS(C)(=O)=O)cc1NCc1cccc(Br)c1OC	796469865	KPEQETSRVYYWNK-UHFFFAOYSA-N	414.321	3.623	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)sn1	807075340	WKGYIVGBFPQVNA-GFCCVEGCSA-N	406.939	3.596	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(N(C)C)cc1	807674408	KLQDTTHIVKZZBR-DNVCBOLYSA-N	422.554	3.903	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	808095777	RZKZFOIPMFLKII-MRXNPFEDSA-N	421.921	3.700	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(F)c(F)cc3OC)cc2F)CC1	810272876	VSAAPGHPVNGVEV-UHFFFAOYSA-N	422.451	3.576	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1	813844955	IGWRWTWPOGNOGV-SUQGKYDKSA-N	409.360	3.610	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc([C@@H]2CCOC2)cc1	815371406	VEXWHOPZFVPMSR-OAQYLSRUSA-N	421.541	3.778	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1	815594283	KYSAVFJWMJIZKE-LJQANCHMSA-N	407.514	3.935	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](CO)Cc1ccncc1Cl	819590150	OJRSXQXXXHAJRG-HNNXBMFYSA-N	403.935	3.785	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(NCc2cccc(Br)c2O)cc1	863991547	GYJMLNGNSNNYQX-UHFFFAOYSA-N	413.337	3.796	10	20	HHCD	
COc1cccc(-c2nc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)cs2)c1	915849962	JOGWKTSZXSETEP-NTEUORMPSA-N	420.537	3.885	10	20	HHCD	
CN1CCN(c2ccccc2NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	916672799	QREKYWKRCICGJG-UHFFFAOYSA-N	420.513	3.971	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)Oc3ccccc3F)cc2F)C[C@@H](C)O1	917715432	QQYZNTALDRMSCZ-XHSDSOJGSA-N	404.457	3.662	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cn2)cc1	918305903	OCKRMCKGQLQVAV-UHFFFAOYSA-N	418.497	3.845	10	20	HHCD	
CCCNC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	1120742674	VWXSLSJXNOWQOH-CYBMUJFWSA-N	406.324	3.501	10	20	HHCD	
C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1789208531	UKYYZYZUZQYHJM-KDOFPFPSSA-N	409.486	3.677	10	20	HHCD	
O=C(/C=C/C1CC1)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1	1805573345	DCFOTEPHSZNGGS-SNAWJCMRSA-N	418.921	3.562	10	20	HHCD	
CCc1ccc(NC(=S)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1	7027525	DNRFZZGKDWMGRP-UHFFFAOYSA-N	412.603	3.756	10	20	HHCD	
Cc1cc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c(C)n1-c1ccccn1	108834770	AKNHLNCEEMVVML-UHFFFAOYSA-N	417.513	3.915	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(-n4nc(C)cc4C)c(F)c3)CC2)cc1	303460494	OABFMWFNGQBHCF-UHFFFAOYSA-N	422.504	3.989	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](SC)[C@@H](N4CCCC4)C3)ccc21	542769335	RFHBXMMYBYGNGP-VXKWHMMOSA-N	415.603	3.556	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@H]1CCCC(F)(F)C1	809764212	UPFXJOKPDKBMSZ-SFHVURJKSA-N	407.505	3.577	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ncnc4sc([N+](=O)[O-])cc34)cc2F)C[C@H](C)O1	804359308	OCYBPOSDMAIHLO-RYUDHWBXSA-N	417.466	3.964	10	20	HHCD	
CN1C(=O)NC2(CCN(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)CC2)C1=O	809750179	QEGPDXOYJWXLHL-UHFFFAOYSA-N	401.551	3.503	10	20	HHCD	
C[C@H](NCc1ccncc1OC[C@@H]1CCOC1)c1cc(Br)ccc1O	806660216	TULZMOLDEXAVJR-UONOGXRCSA-N	407.308	3.816	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2O)cc1	815564273	DSSBZCQSNCROAQ-NEPJUHHUSA-N	402.438	3.731	10	20	HHCD	
O=C1/C(=C\c2cnn(-c3ccc(F)cc3)c2)SC(=S)N1CCc1ccccn1	728311988	GUZNMVQTSUPJCZ-WOJGMQOQSA-N	410.499	3.850	10	20	HHCD	
Cc1cc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)c(C)n1-c1ccccn1	729627476	NSBCELNDGGANAH-UHFFFAOYSA-N	408.546	3.744	10	20	HHCD	
C[C@@H](c1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1)N1CCOCC1	729576974	YJIBZHODXVXBBP-SFHVURJKSA-N	408.546	3.784	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)C3CCC3)cc2)C1	729233578	RSGFBCJWAWKZJI-GGAORHGYSA-N	420.557	3.729	10	20	HHCD	
C[C@@H](NC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1ccc(N2CCOCC2)cc1	727477911	LCMSXLMVMIHGNY-VGSWGCGISA-N	413.493	3.506	10	20	HHCD	
O=S(=O)(Nc1ccc(OCc2ccccn2)c(F)c1)c1cccc2nsnc12	581582837	WUNGHYUPJAPKLA-UHFFFAOYSA-N	416.459	3.605	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2csc(I)c2)c1	730833138	IQFBIXNVAOPQLZ-MRVPVSSYSA-N	403.241	3.558	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1	732241466	JTQWRJMRSPECPR-HXUWFJFHSA-N	424.614	3.656	10	20	HHCD	
COCCOC1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	735200328	KKYTZCBJPRWIJN-UHFFFAOYSA-N	410.474	3.695	10	20	HHCD	
Cc1cc(C(=O)NCc2nnnn2-c2ccccc2)c(C)n1-c1ccc(Cl)cc1	730534343	BKZJLIITBITFAT-UHFFFAOYSA-N	406.877	3.653	10	20	HHCD	
COc1ccc(N(Cc2ccco2)C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1F	739926959	XXHLSWRNKLRWFS-HXUWFJFHSA-N	419.474	3.571	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3cccc(OC)c3)cc2F)CC1	730121695	XRQAGFUULIZNBB-KRWDZBQOSA-N	414.525	3.537	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(I)cc1	734637132	AGPUPCZUTJNHSL-UHFFFAOYSA-N	409.271	3.987	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)C1	918117769	INQKWCBVOYKAIP-KNQAVFIVSA-N	424.520	3.574	10	20	HHCD	
C[C@@H](COc1ccccc1)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	918090646	QBYKRGYOEVAZLS-OKZBNKHCSA-N	415.509	3.706	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c(C)n1-c1ccccc1	916220911	HGHOYEMJJPMFMK-UHFFFAOYSA-N	424.589	3.925	10	20	HHCD	
CC[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCOCC1	746416058	BQZBRRBWEALBDQ-LJQANCHMSA-N	411.493	3.761	10	20	HHCD	
CCN(CC)c1ccc(CNC[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1F	740002034	LBIKTHWFEVBWNJ-DEOSSOPVSA-N	415.553	3.844	10	20	HHCD	
COc1cc(OC)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl	915313130	AQKCATDCSCSXGN-UHFFFAOYSA-N	419.909	3.858	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N[C@@H](c3ccc(C)cc3)C3CC3)CC2)cc1	743358649	NMUIILAGFNVADC-DEOSSOPVSA-N	422.573	3.576	10	20	HHCD	
COc1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1O	919654667	KDQYANWCOBBVAN-UHFFFAOYSA-N	409.486	3.972	10	20	HHCD	
CCn1nc(C)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1Cl	741908594	HBTWGGGMVBQFPD-STQMWFEESA-N	408.905	3.548	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1C(=O)Nc2ccccc21	743809090	LGOPOPGFXRTLNE-HNNXBMFYSA-N	403.276	3.629	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cc1F	741082799	GWDQRRBFZFGVEU-MRXNPFEDSA-N	400.281	3.731	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3cc(F)cc4c3OCOC4)cs2)cc1	751932306	YSUYVZDBYPOWSX-UHFFFAOYSA-N	400.431	3.679	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	920468301	UWSIQIDTGJUPKS-GOSISDBHSA-N	412.534	3.866	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1C)[C@@H](c1ccc(C)cc1)n1cncn1	756702356	NZXQJLAKWMQAMA-DHIUTWEWSA-N	420.561	3.828	10	20	HHCD	
CC(C)CO[C@H]1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	759575808	TWORIFPYZTVAIW-IBGZPJMESA-N	411.493	3.713	10	20	HHCD	
CC[C@H](NC(=O)NCCCSc1nccs1)[C@H](O)c1c(F)cccc1F	759588863	DWPMYLHCZUMVGY-ZFWWWQNUSA-N	401.504	3.715	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)cc1F	753890583	GNAWDOHNKOBMRR-UHFFFAOYSA-N	413.371	3.929	10	20	HHCD	
C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(Br)cc1O	756592069	ILZZHYNAJKBXQV-KNBMTAEXSA-N	419.363	3.688	10	20	HHCD	
COc1cc(O)c(CN2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1OC	768440688	BFPFBBWUQKKPOK-OAHLLOKOSA-N	413.543	3.898	10	20	HHCD	
COCc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1	767184951	NWIMMBKXOHWUCP-UHFFFAOYSA-N	416.389	3.769	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)c(F)c(F)c1F	761980550	CQYYWXSLTLFJEO-LBPRGKRZSA-N	416.802	3.996	10	20	HHCD	
Cc1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1[N+](=O)[O-]	768917399	YMSSWLHLEPEGTG-INIZCTEOSA-N	403.866	3.657	10	20	HHCD	
O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	765212100	XQOHCRRYIJKLAG-PKOBYXMFSA-N	410.297	3.940	10	20	HHCD	
CN(C)CCNC(=O)C1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1	769159854	FEWVZMYQHURYSQ-UHFFFAOYSA-N	417.638	3.877	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCc3ccsc3C2)c([N+](=O)[O-])c1Br	760283920	DBDDMXKBJXRBMB-UHFFFAOYSA-N	414.237	3.898	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1C(F)(F)F	765980432	ZYZFEZCSSTVVDC-HNNXBMFYSA-N	412.477	3.791	10	20	HHCD	
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C	768912127	NACKLQOPYVJRPD-QGZVFWFLSA-N	403.910	3.588	10	20	HHCD	
C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cc(Br)cc(Br)c1O	777219345	KBGDHSRGFXKVGW-SECBINFHSA-N	422.161	3.652	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c1O	779005703	YDAPUDOWBIGTOK-GJZGRUSLSA-N	420.351	3.934	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c3c2CCC3)c(F)c1	773761939	CTXFOHDPZBYZGG-AWEZNQCLSA-N	409.461	3.581	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2COC3(CCOCC3)O2)c(C)n1-c1cccc(C(C)C)c1	777505409	JSYNAMFWJZTGLB-NRFANRHFSA-N	412.530	3.869	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(C(=O)N(CC)CC)cc3)c2)CC1	770148137	PINMILAKDPLZDD-UHFFFAOYSA-N	408.546	3.563	10	20	HHCD	
CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)/C=C/c1ccc(O)c(O)c1	779529312	NXYVDSSVTJFPSK-YRNVUSSQSA-N	410.470	3.775	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3ccc(SCC)cc3)nc12	775355028	FYBOAGFQFRQBNK-CYBMUJFWSA-N	400.504	3.574	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1)c1ccc(N(C)C)cc1	773860512	ZXGIJLWHVGDVLK-ZDUSSCGKSA-N	412.490	3.831	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	781460454	MDJHGIZHIVFLSS-UHFFFAOYSA-N	405.502	3.681	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(N3CCNC3=O)c2C)cc1F	786321480	CLVZOZYEPGORDX-UHFFFAOYSA-N	413.497	3.832	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1	788940184	NZLMDLKQCCEZBN-HNNXBMFYSA-N	403.473	3.647	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)cc1F	782716495	BVUWHXOSVZAPGG-IRXDYDNUSA-N	420.529	3.575	10	20	HHCD	
Cc1cn2cc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)ccc2n1	782896573	QSPDXZLXFRTWNE-UHFFFAOYSA-N	406.486	3.648	10	20	HHCD	
C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	793826579	RPONPDCCDNPSPO-QGZVFWFLSA-N	410.514	3.507	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCC(=O)N3CCCCC3)cc2Cl)C1	799870498	OBMIRFZCWDYABD-QGZVFWFLSA-N	420.985	3.778	10	20	HHCD	
Cc1nc(C(C)C)oc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	794237195	BLYGSWUFNXJENZ-UHFFFAOYSA-N	411.424	3.892	10	20	HHCD	
COc1cc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1C	793871047	SNPRMLZHQSAIPT-UHFFFAOYSA-N	410.514	3.687	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(-c4ccccc4OC)c3C)CC2)cc1	798424755	VYDPSFVHLQOCED-UHFFFAOYSA-N	420.513	3.597	10	20	HHCD	
Brc1cccc2c1OCCN(Cc1ccc(N3CCOCC3)cc1)C2	793228163	YSXCRHMZDGSXDQ-UHFFFAOYSA-N	403.320	3.680	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)c1	792984233	JXJQPHJDROCPIX-UHFFFAOYSA-N	410.857	3.976	10	20	HHCD	
CC[C@@H]1NC(=O)N(c2cccc(NCc3cc(Br)ccc3O)c2)C1=O	793345740	FTTUWOVITIMCKG-HNNXBMFYSA-N	404.264	3.602	10	20	HHCD	
O=C(COC(=O)CCc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	5381654	SOFSCQBMSCPVMF-UHFFFAOYSA-N	413.429	3.577	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1	7219221	JHMNXKZPJYZDNV-GOSISDBHSA-N	408.571	3.858	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1	8070667	SAWIGGWLANWTSX-UHFFFAOYSA-N	409.313	3.804	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)N3CCc4sccc4C3)sc2n1	28775691	PYWGQIJRHDOCFY-GFCCVEGCSA-N	415.540	3.687	10	20	HHCD	
O=C1/C(=C/c2ccccc2C(F)(F)F)SC(=S)N1CCCN1CCOCC1	28964168	UOZNINARMQJGBF-QINSGFPZSA-N	416.490	3.629	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@H](C)c3cccc(C)c3C)CC2)cc1	303738936	XSOHQVYMEBPNNS-OAQYLSRUSA-N	424.589	3.885	10	20	HHCD	
C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCOc2cc(N(C)C)ccc21	437018386	LHNODXUVEJMONS-CYBMUJFWSA-N	405.292	3.708	10	20	HHCD	
O=C(Nc1cc(-c2cccc(Cl)c2)nn1CCO)c1ccc(C2=S=CC=C2)o1	544037005	RBWITSDPHJRVGS-UHFFFAOYSA-N	413.886	3.667	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2cnn(CC)c2)C1=O	726196844	DHCXHBQCESGAED-OVCLIPMQSA-N	404.473	3.616	10	20	HHCD	
C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)c1ccc(N2CCOCC2)cc1	727147436	CWSXOXLTYQDGQN-QGZVFWFLSA-N	417.550	3.538	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1	729062768	DMZYRPJQNMDPJA-SECBINFHSA-N	416.783	3.889	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)cc1F	730176842	AYLOYLVWUIPGTA-UHFFFAOYSA-N	417.282	3.770	10	20	HHCD	
Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731110472	YYDXEGQAZOVQBP-UHFFFAOYSA-N	405.506	3.529	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@H](Cc3ccccc3)N(C)C)cc2)CC1	731116137	JGODLNPJBRBLII-DEOSSOPVSA-N	408.590	3.895	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3c(C)nc4cc(O)nn4c3C)c2C)c1	733883942	JPHGYXXMUCVCDG-UHFFFAOYSA-N	403.486	3.698	10	20	HHCD	
Cc1cc(OC(F)F)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1	733921515	BBNFEGUDOWRQJV-UHFFFAOYSA-N	400.422	3.564	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1	734017042	YIHGUHPXCNSZFI-UHFFFAOYSA-N	400.438	3.579	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc4nc(S)oc4c3)cc2F)C[C@@H](C)O1	735853914	MTCKPWWNWGVNMD-BETUJISGSA-N	415.490	3.799	10	20	HHCD	
C[C@H]1CC(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C[C@H](C)C1	739654004	KIGQQZWSTVTBMP-CHWSQXEVSA-N	406.438	3.925	10	20	HHCD	
CC(C)C[C@@H]1CCCCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	741081170	MHFSCSVRRAUIHZ-IRLDBZIGSA-N	414.594	3.889	10	20	HHCD	
C[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C(F)(F)F	742755855	YKBNVYQZRJZEHB-WFASDCNBSA-N	403.445	3.633	10	20	HHCD	
CCCc1nnc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	743076365	GKSOLLVCNGXHKL-GFCCVEGCSA-N	411.478	3.883	10	20	HHCD	
O=C(c1ccc(N2CCOCC2)c(F)c1)N(Cc1ccco1)Cc1ccccc1O	743432953	XEUTVVDWIRDUDZ-UHFFFAOYSA-N	410.445	3.804	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CCc2ccccc21	743871055	OCNWZLRNSMAJKV-AWEZNQCLSA-N	403.320	3.954	10	20	HHCD	
CCOC(=O)c1c(C)[nH]c(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c1C	744843751	YCQUOBDQPXDUSN-GXDHUFHOSA-N	424.544	3.654	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1	745892199	PNEMZXQOQDSDLO-UHFFFAOYSA-N	409.509	3.852	10	20	HHCD	
COCCN(CC(=O)Nc1nc2ccc(F)cc2s1)c1ccc(OC)c(OC)c1	746478120	OGSWAJXILMZRCA-UHFFFAOYSA-N	419.478	3.544	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3ccnc(N4CCOCC4)c3)c2C)c1	749342950	VHYGIABEYGPIIA-UHFFFAOYSA-N	418.541	3.873	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c1O	750817235	KTMJPIYAWOJIBN-OAHLLOKOSA-N	424.476	3.663	10	20	HHCD	
CC(C)(C)OCc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	752725061	FHHFWEJXQHJPMH-UHFFFAOYSA-N	407.514	3.633	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc(OC(C)C)cc3)C2=O)c[nH]1	753137808	KJSXCXBGWYKOLG-CXUHLZMHSA-N	402.497	3.994	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2)cc1F	753865348	KBDJERDKPJOHBB-UHFFFAOYSA-N	412.465	3.537	10	20	HHCD	
COc1ccc2cccc(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2c1	753912299	XBSUFIYLMGRYDK-UHFFFAOYSA-N	404.510	3.886	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@@H](C2CCOCC2)C1	755077404	KGQODJZMZAGVRE-MSOLQXFVSA-N	423.504	3.715	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(N(C)C)cc1	756174513	GZUFDJLBWIAZPR-HOIFWPIMSA-N	406.530	3.557	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)cc1	758508356	XCZAGWXGMPWGAD-QFIPXVFZSA-N	414.550	3.511	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@H]1CCCN(Cc2cccs2)C1	759574719	JPXVNYALTMLAEF-HNNXBMFYSA-N	410.634	3.898	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](CN1CCCC1)c1ccccc1	761030796	OLFDEQIGPPNPOZ-LJQANCHMSA-N	413.905	3.647	10	20	HHCD	
COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(Cl)cc(OC)c1O	761204017	OBDQXBXTINWNPY-MRXNPFEDSA-N	403.784	3.818	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(OCC(F)F)nc2)cc1	761680448	NYJWKZADONFXAX-UHFFFAOYSA-N	417.378	3.996	10	20	HHCD	
Cc1[nH]c(C(=O)NCc2cccc(Br)c2O)c(C)c1C(=O)OC(C)C	765735064	DEZPVUCCBOKJSD-UHFFFAOYSA-N	409.280	3.595	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(-c2cncnc2)cc1F	765756203	LFZKBMYZMBSMMC-UHFFFAOYSA-N	402.223	3.681	10	20	HHCD	
C[C@@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	766397165	OABAAHKZAZGTBM-OAQYLSRUSA-N	421.585	3.655	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(COC(C)(C)C)on3)cc2F)C[C@@H](C)O1	769866219	VPCCIWOJFXONNN-GASCZTMLSA-N	419.497	3.672	10	20	HHCD	
C[C@H](NC(=O)Nc1cccnc1Br)c1ccc(N2CCOCC2)cc1	770274294	PUMKMBCBNVAVTJ-ZDUSSCGKSA-N	405.296	3.563	10	20	HHCD	
Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn1-c1ccccc1	772576870	MGPUZBLPYHSXBW-UHFFFAOYSA-N	405.502	3.681	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2F)n1	773857327	MKQHWRUXSREKIH-MRXNPFEDSA-N	423.492	3.510	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C2CC2)cc1	775141781	UBQKEWGKDCPHLO-UHFFFAOYSA-N	407.848	3.814	10	20	HHCD	
C[C@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	775258047	PLIUJRPGCRELBV-CYFREDJKSA-N	407.558	3.710	10	20	HHCD	
CC[C@@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Br)ccc1O	775503138	BZBYVVFRZCMGIX-WMLDXEAASA-N	418.335	3.573	10	20	HHCD	
COc1ccc(O)c(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1	776021091	HHLSTANFUNVHGZ-UHFFFAOYSA-N	422.504	3.551	10	20	HHCD	
CC[C@@H](C)Oc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccn1	777756786	HSKNJZBCFZKIJB-YLJYHZDGSA-N	413.518	3.855	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-c4cc[nH]n4)cc3)cc2)CC1	780056036	RTDFSEODRLLKFR-UHFFFAOYSA-N	417.513	3.568	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(Br)cc1	780358947	OWNKIDRCJXBMJC-JKSUJKDBSA-N	405.336	3.742	10	20	HHCD	
Cc1nnc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)s1	780813826	LJCXKVTVKQYDJV-UHFFFAOYSA-N	405.321	3.947	10	20	HHCD	
Cc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c(O)c1O	780938329	IDUCBFWDNDUZLC-UHFFFAOYSA-N	403.500	3.906	10	20	HHCD	
CCCN1Cc2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2C1	783313489	AIGCATQRBJFIOO-UHFFFAOYSA-N	422.573	3.854	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(Br)nc2)cc1	784111532	KZRATWPINZIVQD-UHFFFAOYSA-N	417.307	3.588	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)Cc2cccc(O)c2)c([N+](=O)[O-])c1Br	786794242	YVGAAUCGHQPFFG-UHFFFAOYSA-N	412.196	3.616	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2nc3c(s2)CCCCC3)C2CC2)cc1	789382932	UPAQJJQVTUWOEK-UHFFFAOYSA-N	412.559	3.608	10	20	HHCD	
Cc1nc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)sc1C	789409647	XXHLYEJJKGXRRR-UHFFFAOYSA-N	400.548	3.784	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C	789901372	IQSIUBSOACZMEN-XMMPIXPASA-N	408.590	3.991	10	20	HHCD	
CN(c1ccc(CNC(=O)CN2CCc3ccccc3C2=O)cc1)C1CCCCC1	789911332	KTTILZZCAFYGOR-UHFFFAOYSA-N	405.542	3.770	10	20	HHCD	
CCOCCCNC(=O)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1	792788042	VRTHBLQTLOPEEX-UHFFFAOYSA-N	415.500	3.526	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)cc1	795974714	GOWKXLAFKLLNSQ-UHFFFAOYSA-N	424.526	3.526	10	20	HHCD	
CC[C@H](N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)ccc1O	797041226	XUGZOHFHLHRBHT-WBVHZDCISA-N	410.356	3.876	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)cc1	797442885	KIOHYWGFEVAOAD-UHFFFAOYSA-N	415.342	3.903	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C4CC4)no3)c2C)cc1	799579767	IHCQQMKSCRSGDP-UHFFFAOYSA-N	422.437	3.786	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3c3ncccn3)cc2Cl)C1	800572205	UZTPSEAVZUMRHB-OXQOHEQNSA-N	413.953	3.652	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1cc(F)c(N2CCOCC2)cc1F	806741217	ZAQHRVLNOJGCDN-UHFFFAOYSA-N	417.456	3.708	10	20	HHCD	
CC[C@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1ccc(C(F)(F)F)cc1O	810226168	VKCFUCKOAZEOAQ-IBGZPJMESA-N	423.479	3.943	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(C4CCC4)c3)cc2)C1	812993548	RADCKXIMTHOEQJ-HXUWFJFHSA-N	406.530	3.978	10	20	HHCD	
CS(=O)(=O)c1cccc(Cl)c1C(=O)NCc1cc(Cl)cc(Cl)c1O	813685112	SMGKLJPQGSETMR-UHFFFAOYSA-N	408.690	3.686	10	20	HHCD	
CCN1CCN(c2ccc(CNc3cccc(C(=O)OC(C)(C)C)n3)cc2F)CC1	814845007	VQMPUSNEINIROV-UHFFFAOYSA-N	414.525	3.930	10	20	HHCD	
CC(C)O[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1	815730615	MBBYQDLBDHUOSW-JOCHJYFZSA-N	400.494	3.569	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC(C2CC2)CC1	816905719	LBZWNWFXAADAJT-UHFFFAOYSA-N	406.529	3.517	10	20	HHCD	
CC(C)Oc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	857455310	ABRFLFOYQREHEE-OAHLLOKOSA-N	405.445	3.869	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc([C@@H]4C[C@@H]4C)o3)C3CC3)CC2)cc1	915057406	ZGXQNIJMYPPOBD-FDDCHVKYSA-N	423.557	3.725	10	20	HHCD	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(O)c1	915851067	KURYPBLLDZZYPW-CXUHLZMHSA-N	401.465	3.895	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CCCc4ccccc43)cc2F)C[C@H](C)O1	916968153	PPNZYGCHBZXOKO-ROUUACIJSA-N	411.521	3.508	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)OC)s3)n2)cc1	917906939	FYLSLWAJKWXIJY-UHFFFAOYSA-N	424.525	3.858	10	20	HHCD	
CCCOc1cc(C)ccc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	918037830	ZZWZRLYHNZAPKV-IBGZPJMESA-N	424.545	3.807	10	20	HHCD	
Cc1ccc(Br)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	918264030	BZQNEFFJZIODPP-UHFFFAOYSA-N	416.319	3.613	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCOC2)c(C)n1-c1cccc(Br)c1	921215526	WGEKWHUEXQFHJU-CQSZACIVSA-N	406.276	3.619	10	20	HHCD	
CC(C)CC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1	1792297766	IDGBRDNSYIRMFI-VZUCSPMQSA-N	424.497	3.997	10	20	HHCD	
COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccc(C)o2)cc1OC	4244696	ZVQHGCVNKJIQBL-UHFFFAOYSA-N	415.467	3.945	10	20	HHCD	
O=C(NCCOc1cccc(Cl)c1)NCc1ccc(N2CCSCC2)cc1	71937098	PJOARMSQGKJFJQ-UHFFFAOYSA-N	405.951	3.771	10	20	HHCD	
COC(=O)[C@H](C)CN(C)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	110226455	FSBWYIADXYVPIJ-GFCCVEGCSA-N	407.308	3.738	10	20	HHCD	
Cc1cc(C)n(-c2cccc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)c2)n1	472791551	SDUMDTKSJAVORD-UHFFFAOYSA-N	415.497	3.544	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3cc(OC)ccc3OC)ccc21	483440995	REFSCEJRRYUWTB-UHFFFAOYSA-N	410.514	3.894	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)n(C)c2ccccc12	565794600	GBCJMVOXRGAAJM-SFHVURJKSA-N	423.488	3.661	10	20	HHCD	
Cc1cc(C)n([C@@H](C)CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	726566798	FSPFBYXXXVONCX-INIZCTEOSA-N	406.477	3.838	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](CCC(N)=O)C3)c2C)cc1	727158597	VQOBBDQJLYNVQX-IBGZPJMESA-N	411.546	3.653	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(Cl)ccc3OC)cc2F)CC1	730194422	HRAVAAMTYCDRHU-UHFFFAOYSA-N	405.901	3.560	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)CC1	731017143	YFRSPAMZJZNOHA-UHFFFAOYSA-N	405.498	3.506	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cccc(F)c1	732911080	OOJSUCZAWRHFAS-UHFFFAOYSA-N	400.460	3.936	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H]1c1ccc(F)c(F)c1	732993291	DTEMRARXRDAUCL-FQEVSTJZSA-N	419.447	3.987	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	733562030	NLXVTHZCNLAYIR-CQSZACIVSA-N	422.884	3.514	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1	734468072	IUDADTBPVXIKDR-UHFFFAOYSA-N	423.538	3.792	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(-n4cccc4)c3)cc2)CC1	737190647	MIVWYQCTAOSTKT-UHFFFAOYSA-N	416.525	3.969	10	20	HHCD	
CC(C)(CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)NC(=O)OC(C)(C)C	738529785	ZEGXZSXYCVASBT-SFHVURJKSA-N	420.550	3.983	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccnc3Cl)n2)cc1[N+](=O)[O-]	739383263	UQBMMOUXWXKQJJ-UHFFFAOYSA-N	410.864	3.876	10	20	HHCD	
CCOc1ccc(N(C)CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1	740423779	PMKVXNQYVHANKY-UHFFFAOYSA-N	421.497	3.708	10	20	HHCD	
COc1ccc(SCCC(=O)NCc2ccc3c(c2)CCCN3C)cc1OC	740783097	LSTBHQGXSLJBHN-UHFFFAOYSA-N	400.544	3.885	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nccnc1NC(=O)C(C)(C)C	742499139	VYVWHOPZMFWNHT-UHFFFAOYSA-N	409.534	3.724	10	20	HHCD	
CCOc1cccc(NC(=S)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1	742996687	HRHZBWGXCGYTNY-UHFFFAOYSA-N	416.566	3.853	10	20	HHCD	
CCOc1ccc(OCC(=O)N(CC)Cc2cc(Br)ccc2O)cc1	743808354	WZYSTUYYVHHBIT-UHFFFAOYSA-N	408.292	3.981	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1F	746979330	IODXYTODFCQJEM-LJQANCHMSA-N	415.900	3.867	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCOc1ccccc1Cl	747704154	YPDBQPXTXOXYSZ-UHFFFAOYSA-N	402.922	3.994	10	20	HHCD	
CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	748683684	FBGIHFBLDIMANJ-DLBZAZTESA-N	424.478	3.774	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(O[C@H]2CCOC2)CC1	748985361	FPPOUKCXZHSEDG-NRFANRHFSA-N	422.485	3.837	10	20	HHCD	
CC(=O)Nc1ccc(F)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	751405302	KYOORSVSLISMEL-HXUWFJFHSA-N	413.493	3.672	10	20	HHCD	
CSc1cccc(NC(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)c1	751945509	QRPWICPQZLXFEV-UHFFFAOYSA-N	413.524	3.834	10	20	HHCD	
Cc1ccnn1-c1ccccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	753029641	NUUCGFNOMYYZOP-UHFFFAOYSA-N	423.492	3.603	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1F	753839116	IHYLNIGGYWSFMK-UHFFFAOYSA-N	408.817	3.750	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1ccccc1OCCn1ccnc1	753943690	PEOWYONTIQHNCS-UHFFFAOYSA-N	403.533	3.723	10	20	HHCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1	756447916	ZCKVUUBASOTBMJ-GOSISDBHSA-N	421.520	3.807	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)cc1	756456721	FGTACSUIYZSGCT-KBXCAEBGSA-N	406.523	3.898	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2CCN(Cc3ccc(OC)cc3)CC2)c1	756497306	SXNLJELITPUQCF-QGZVFWFLSA-N	412.530	3.750	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1cc(Cl)ccc1O	756732780	LRSDLOUDVFRBCU-MRXNPFEDSA-N	401.938	3.722	10	20	HHCD	
COc1ccccc1N1CC[C@@H](N[C@H](C)c2cc(Br)c(F)cc2O)C1=O	756741085	BPZURTDOPUHMAH-IAQYHMDHSA-N	423.282	3.759	10	20	HHCD	
CCS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	756938987	YGMGMSARBDVZPT-UHFFFAOYSA-N	416.587	3.916	10	20	HHCD	
Cc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c(C)n1-c1ccccn1	758717172	GFOBOQNDPYOHAD-UHFFFAOYSA-N	422.916	3.627	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3ccc(F)cc3F)CC2)cc(OC)c1OC	758924224	YJSFAPHZDRFFCP-UHFFFAOYSA-N	423.485	3.510	10	20	HHCD	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	759594960	OUICICKYJYIVLR-HWKANZROSA-N	410.253	3.620	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3cccnn3)CC2)c(C)n1-c1cccc(Cl)c1	760636516	RYIWQKUDYFSVTQ-UHFFFAOYSA-N	409.921	3.936	10	20	HHCD	
CCCC(=O)Nc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	761064126	YJROKHJFNVWELV-UHFFFAOYSA-N	415.877	3.749	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCOc2cc(N(C)C)ccc21	762343958	KKUMVAXZWZAAEO-LBPRGKRZSA-N	404.854	3.540	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(-c2nc(-c3ccc(F)cn3)no2)c1)c1cccs1	763347408	LJJNAGINWRRSKS-UHFFFAOYSA-N	418.431	3.506	10	20	HHCD	
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(Br)c1O	764784494	PAFUOUPSVJQAHQ-UHFFFAOYSA-N	422.279	3.885	10	20	HHCD	
COc1cc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)ccc1S(C)(=O)=O	765077382	BYDPDIYKFOZEKL-MRXNPFEDSA-N	420.600	3.503	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(C(F)(F)F)nc1	771055471	CDUNNHSDODCEGM-OAHLLOKOSA-N	413.827	3.854	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Br)cn1	771057449	JSCHQGWDLUVUKQ-OAHLLOKOSA-N	424.726	3.598	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(OC)c4cccnc34)CC2)cc1	771281520	MFOVYIHTNCYHMU-UHFFFAOYSA-N	406.486	3.996	10	20	HHCD	
C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1	772874745	GQEJIAMSMBUZCJ-GHTZIAJQSA-N	403.567	3.791	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N2CCOCC2)c(F)c1	773010447	KYBGXJDWLRLNIN-YWZLYKJASA-N	417.912	3.772	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc(N(C)C)cc1	773628748	QTTCBXUIWDTZGO-MRXNPFEDSA-N	412.509	3.557	10	20	HHCD	
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	773987933	HOUHBYZXXDHLLZ-DVECYGJZSA-N	415.537	3.971	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccccc1)c1ccccn1	775079863	ABDHIXPEUINYBU-QHCPKHFHSA-N	417.509	3.822	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1	775488087	GRFHABNFLVGHSL-UGKGYDQZSA-N	411.565	3.787	10	20	HHCD	
COCC[S@](=O)Cc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775625300	VQTQECGHFIKCLB-OLRZCDJHSA-N	403.548	3.530	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC[C@@H]1c1ncon1	775670518	KHDMVPKHBFBRGJ-LLVKDONJSA-N	403.074	3.637	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1	776131460	KXDBSKRFJBLSGI-GOSISDBHSA-N	408.546	3.726	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(Br)cc(C)c1O)c1cc(F)ccc1F	779178339	JIKJQQQSUGPYGV-HNNXBMFYSA-N	400.219	3.745	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	782732147	KIMQEOFBVVVTQQ-GFCCVEGCSA-N	419.498	3.887	10	20	HHCD	
Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1OC1CCOCC1	789838919	JZZFJAYSQRMXRE-HNNXBMFYSA-N	400.475	3.717	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(O[C@@H]2CCOC2)cc1	789982638	OHKDPIPRNORMKW-GOSISDBHSA-N	420.303	3.985	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1	791247421	YJMAUJZJYABJLQ-UHFFFAOYSA-N	413.474	3.526	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C1	794032988	JLJZNHVNUYFKAK-FZMUQLTDSA-N	416.518	3.607	10	20	HHCD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799972709	OULVHBXKIPYFHC-ZAAXVRCTSA-N	409.958	3.570	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(-c2ccc3ccccc3n2)n1C	800764147	ZTWKFAFMLRYJOS-UHFFFAOYSA-N	414.513	3.503	10	20	HHCD	
Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	803659636	VHAMZEXFODPODC-CTNGQTDRSA-N	411.521	3.611	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1	806855608	SHKUUFWBRQNXPB-UHFFFAOYSA-N	415.646	3.544	10	20	HHCD	
CN(C)C(=O)Nc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807194869	MZKDUVBKOOUEBY-UHFFFAOYSA-N	411.289	3.792	10	20	HHCD	
CS[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	807763141	PQNROMOMGPBSQC-HYVNUMGLSA-N	424.010	3.593	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3ccccc3)c(C)n2)c1	810362760	ZRSNJAGPJQGHFV-OAHLLOKOSA-N	405.454	3.587	10	20	HHCD	
Cc1ccc(NC(=O)CSCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	813685435	GVVQGCPXFIACCK-UHFFFAOYSA-N	413.326	3.996	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccc2c(c1)OCO2	814679969	UWRDPLGHXDCREE-UTKZUKDTSA-N	410.514	3.793	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1	815371326	RUUKFEIMLZAXPR-FQEVSTJZSA-N	409.530	3.634	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCc2cnc(SC3CCCC3)nc2)c1	815656277	QIZFDLMWMOXTLA-CQSZACIVSA-N	401.532	3.897	10	20	HHCD	
Cc1cc(CC(=O)O[C@@H](C)C(=O)Nc2ncccn2)c(C)n1-c1ccc(Cl)cc1	913271130	IILUUXRGJADLDR-HNNXBMFYSA-N	412.877	3.650	10	20	HHCD	
CCNC(=O)COc1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	915343931	OVMKMIPAEYXLRW-UHFFFAOYSA-N	424.545	3.856	10	20	HHCD	
CSc1nc2ncn(CC(=O)c3cc(C)n(-c4ccccc4)c3C)c(=O)c2s1	915673084	NQPYVCMUUGVCPY-UHFFFAOYSA-N	410.524	3.865	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCOc3ccccc3C2)c([N+](=O)[O-])c1Br	917093950	YGLXNSMUAVHORN-UHFFFAOYSA-N	424.207	3.673	10	20	HHCD	
Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	917833311	NJCDAWSFXOYQOE-HXUWFJFHSA-N	423.557	3.515	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H]3C3CCCC3)cc2F)C[C@@H](C)O1	917835766	IFRURBDMWASILI-SVMVAKDDSA-N	417.569	3.710	10	20	HHCD	
Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c(C)n1-c1ccc(Cl)cc1	917954702	PFWZAGJSCPKVLL-NRFANRHFSA-N	407.901	3.800	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)Cn2cccn2)c(C)n1-c1cccc(Br)c1	918110157	CIINDFSKTZBEIR-CYBMUJFWSA-N	401.308	3.872	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc2ccccc12	918436754	BAVGHTAWFVLBRD-UHFFFAOYSA-N	405.523	3.648	10	20	HHCD	
COc1ccc(C2=CC(C(=O)Nc3nnc(-c4ccncc4)s3)=S=C2C)cc1	1319220305	QCVYXUQRRARUPH-UHFFFAOYSA-N	408.508	3.742	10	20	HHCD	
CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821290616	CKLZRBQDOUUXMV-AWEZNQCLSA-N	406.870	3.580	10	20	HHCD	
COc1ccc(N(Cc2ccco2)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F	303774272	FVNWDKYKPQZQSX-QGZVFWFLSA-N	416.405	3.782	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(Br)cc3O)CC2)cc1	726628272	VPOPNGWCZDNSCJ-UHFFFAOYSA-N	405.292	3.562	10	20	HHCD	
CC(C)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc(C2CC2)no1	727944247	WQKYCFKUCALZFK-IEBWSBKVSA-N	414.506	3.741	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)c(C)n1-c1ccccn1	728524683	BFCVVIFGMYQPRZ-IBGZPJMESA-N	424.501	3.782	10	20	HHCD	
COCc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1	728835623	HVQIVKNFCGWQPD-UHFFFAOYSA-N	403.482	3.577	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O	732469488	GCRNMFQHVDMESP-LJQANCHMSA-N	414.937	3.743	10	20	HHCD	
FC(F)(F)Oc1cccc(N2CC[C@@H](NCc3ccc(N4CCOCC4)cc3)C2)c1	734005065	RRMAZZSVNJHYTR-GOSISDBHSA-N	421.463	3.790	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1	734017704	WBRZRRXRKIVMST-AWEZNQCLSA-N	422.441	3.807	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1	734166908	HYRLZWDNCKZLJH-GOSISDBHSA-N	404.555	3.732	10	20	HHCD	
CCO[C@H](C)c1noc(COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1	736814452	VRPNULZSAFKIMD-OAHLLOKOSA-N	401.463	3.742	10	20	HHCD	
CSc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	740656299	YMQPWQSHUHIPCJ-DLBZAZTESA-N	400.544	3.890	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1C3CCCC1CCC3)c2[N+](=O)[O-]	741993292	LYOQHOSIANVQDF-UHFFFAOYSA-N	404.422	3.917	10	20	HHCD	
O=C(CCOc1cccc(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742804999	DNTUVKAERRKRAX-INIZCTEOSA-N	408.420	3.981	10	20	HHCD	
O=C(NCCS(=O)(=O)c1ccccc1)N(Cc1ccccc1O)C1CCCCC1	743123679	POWUTYTWWAQXKK-UHFFFAOYSA-N	416.543	3.710	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1	745882823	PTUBKNRHEUBFCN-PGRDOPGGSA-N	408.546	3.868	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC[C@H](c4nnc5n4CCC5)C3)c2C)c1	747210379	CXHPAHHJLJHAJV-IBGZPJMESA-N	403.530	3.960	10	20	HHCD	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1	749305203	HDBJSDCWVQYBMN-QSADENFPSA-N	411.332	3.580	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC(C4CC4)(C4CC4)C3=O)c2C)cc1	750961085	PSQLAYYHTAPRCB-UHFFFAOYSA-N	405.498	3.696	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCC(=O)c3ccc(OC)c(F)c3)CC2)cc1	751368427	DLIXESQUJXDKKE-UHFFFAOYSA-N	414.477	3.591	10	20	HHCD	
COc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1	752709766	BJCKARCPATXWOQ-UHFFFAOYSA-N	424.545	3.955	10	20	HHCD	
CCCCN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCS(=O)(=O)C1	753538376	OYEQOUSWEZHKJF-HXUWFJFHSA-N	403.544	3.760	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3csc(-c4cccs4)n3)CC2)cc1F	753742895	XSAPGFCHEDLLIP-UHFFFAOYSA-N	403.504	3.982	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccnc1-c1ccccc1	755063681	IXWOVBAIYNLTJP-UHFFFAOYSA-N	401.466	3.588	10	20	HHCD	
C[C@@H]1C[C@H](NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(O)ccc(F)c21	756474447	AVGSUADLLRVSHY-BEFAXECRSA-N	415.484	3.547	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCc2c(Cl)cccc21	757249069	VJVXHMRSYVBARA-UHFFFAOYSA-N	411.933	3.878	10	20	HHCD	
Cc1cccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1Br	757814023	OJKOOOLNNNHNDM-UHFFFAOYSA-N	419.319	3.639	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](C)[S@@](=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1	759858540	QKULMLQESVUXEG-HOLBHBGLSA-N	424.513	3.721	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(-c2ccccn2)c1C	761752299	HJLSMNKTGRDMBW-UHFFFAOYSA-N	415.291	3.706	10	20	HHCD	
C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc([N+](=O)[O-])c1	762100705	SDWAKPRILFGRHH-RDTXWAMCSA-N	417.893	3.838	10	20	HHCD	
CCc1ncc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)s1	763495049	QOEBIEVPLIOOQU-UHFFFAOYSA-N	417.541	3.816	10	20	HHCD	
CCOc1nccc(C)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	764828325	HNPYOXPDARYFLC-UHFFFAOYSA-N	405.445	3.789	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OCc2nccn2C)cc1	765119512	XVDYJSKDOMFIKO-GOSISDBHSA-N	424.520	3.826	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3cc(OC)ccc3OC)cc2F)CC1	765853036	OXFRFXAUYKVVTQ-KRWDZBQOSA-N	401.526	3.836	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(F)c1F	766560475	QFGNPQWLHRBJEK-OAHLLOKOSA-N	403.473	3.734	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(Cc3cc(Br)ccc3O)CC2)s1	769192004	FDONPZOLAVURFC-UHFFFAOYSA-N	409.349	3.919	10	20	HHCD	
COC(=O)c1sc(N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)nc1Cl	771256706	GTOKBVICVISHHY-HNNXBMFYSA-N	409.939	3.835	10	20	HHCD	
CCn1nc(C)c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C	772504604	ZREZOZMAWCPDQQ-OKILXGFUSA-N	403.502	3.594	10	20	HHCD	
CC[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1O	775488076	GQBQVGCZMVRXJC-NHYWBVRUSA-N	414.285	3.908	10	20	HHCD	
Cc1cc(C(=O)NCC2=CCN(C)CC2)c(C)n1-c1ccc(Br)cc1	775884004	NFFPPJXCCCYBSU-UHFFFAOYSA-N	402.336	3.848	10	20	HHCD	
CN(C)c1ccc([C@@H](CN[C@@H](c2nccn2C)C2CC2)NC(=O)OC(C)(C)C)cc1	776492030	HFJYCJVNIYBOBZ-WOJBJXKFSA-N	413.566	3.793	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3CCCOc4cc(F)ccc43)CC2)cc1F	776942231	VPYKKYIRBVPVDG-IBGZPJMESA-N	417.456	3.719	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](n3cncn3)C2)c(C)n1-c1ccc(Br)cc1	777217294	KHEUCGHHTDPAPT-QGZVFWFLSA-N	414.307	3.535	10	20	HHCD	
Cc1ccnc2c(S(=O)(=O)Nc3ccnn3Cc3ccc(N(C)C)cc3)cccc12	777623405	MLYFHFRWZJHRTA-UHFFFAOYSA-N	421.526	3.655	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccc(NS(C)(=O)=O)cc2)c1O	779012081	ZRBPGNYGWFVAMY-LBPRGKRZSA-N	413.337	3.685	10	20	HHCD	
Cn1nc(Br)cc1/C=C1\SC(=S)N(CCc2cccs2)C1=O	779220773	HWDFWGJWIQRARN-XFFZJAGNSA-N	414.375	3.688	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](C4(C)OCCO4)C3)ccc21	784770483	KSYSBAULRXNIGM-LJQANCHMSA-N	400.519	3.520	10	20	HHCD	
CCNC(=O)Nc1ccc(C)c(NC(=O)NCc2cccc(Br)c2O)c1	786415946	BMPSDOCQJPVFNX-UHFFFAOYSA-N	421.295	3.926	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1OC(F)F	787867854	GBCPCKWOBDYNOQ-SFHVURJKSA-N	419.472	3.580	10	20	HHCD	
CCOc1ccccc1[C@@](N)(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F	788003258	ILQVWGAOPFJMHJ-VBKZILBWSA-N	409.452	3.745	10	20	HHCD	
O=C(NC[C@@H]1CCC2(CCCCC2)O1)N(Cc1ccccc1O)C[C@H]1CCCO1	790630087	JGJGDGWDWXZSPC-VQTJNVASSA-N	402.535	3.965	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(O)c1	793029263	ZNHPEZDWMVFCJZ-YWZLYKJASA-N	421.900	3.686	10	20	HHCD	
CN(C)CCn1ncc(C(=O)NCc2c(O)ccc3c2CCCC3)c1-c1ccccc1	798172337	PJJKNVNQNZRQRK-UHFFFAOYSA-N	418.541	3.626	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccccc3NC(C)(C)C)CC2)cc1	799252991	HXSKCJHVKWFJJF-UHFFFAOYSA-N	424.545	3.583	10	20	HHCD	
Fc1cc2c(cc1Br)[C@@H](NCc1ccc(N3CCOCC3)cc1)CO2	800310200	YFTJCIHKCFFUNZ-SFHVURJKSA-N	407.283	3.648	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(-c4cccc(Cl)c4)n3C)CC2)cc1F	800766693	SAYAOMCFWJCXJH-UHFFFAOYSA-N	401.873	3.610	10	20	HHCD	
CCN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@@H]1CCOC(C)(C)C1	810044103	XRGATKAUUSRFCE-QGZVFWFLSA-N	420.509	3.680	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1	812008602	CFIDISWTEAVLOY-XMMPIXPASA-N	413.537	3.809	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1cccc(OC(F)(F)F)c1F	813667543	IVAFYSCZHCABCF-UHFFFAOYSA-N	416.443	3.642	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1ccccc1Cl)c2[N+](=O)[O-]	821701018	WJRGYQIGSJITIF-UHFFFAOYSA-N	420.808	3.954	10	20	HHCD	
CCC(=O)N[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	914673966	JEZTWHZJZRHKIZ-LBPRGKRZSA-N	408.857	3.527	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2COCc2ccccc2)cc1	915732088	OXRCXRDHFMBCON-UHFFFAOYSA-N	417.509	3.724	10	20	HHCD	
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	917212554	JBGMCPVRTHWKRQ-MRXNPFEDSA-N	404.514	3.947	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2c2ccsc2)c1	917455147	NFPBTHDZRFQQGC-OAQYLSRUSA-N	400.544	3.826	10	20	HHCD	
Cc1cc(C(=O)OCc2ccn(C)c(=O)c2)c(C)n1-c1ccc(Br)cc1	919045629	APIZSXYIHLWNGM-UHFFFAOYSA-N	415.287	3.912	10	20	HHCD	
COc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2c1	919968947	RUVWVRKQLXCDOS-UHFFFAOYSA-N	419.525	3.691	10	20	HHCD	
CS(=O)(=O)c1ccc(CNCc2ccc(N3CCCC3)cc2)cc1C(F)(F)F	1343923655	QSHIDBVPEOHSJW-UHFFFAOYSA-N	412.477	3.999	10	20	HHCD	
COc1ccccc1-c1nc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1	109455590	WNHJSHUXIVMOOZ-UHFFFAOYSA-N	423.538	3.928	10	20	HHCD	
Cc1ccc(C(=O)OCc2nc(-c3cccc(Br)c3)no2)c(O)c1O	110000710	DMAIQFNBJOCKIC-UHFFFAOYSA-N	405.204	3.576	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H](C)C(=O)N3CCCC[C@@H]3C)cc2)CC1	303287374	AAXUZYJTHVCWBO-OALUTQOASA-N	400.567	3.512	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	248091925	XXOUQTBCIWWAPA-UHFFFAOYSA-N	404.514	3.598	10	20	HHCD	
Cc1c(CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)n(C)c2ccccc12	472224502	QYQAJFMKJQXFOJ-UHFFFAOYSA-N	403.486	3.660	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCOc3ccc(Br)cc3C2)cc1F	802060256	HLVMBADFYTWMBR-UHFFFAOYSA-N	422.298	3.758	10	20	HHCD	
Cc1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c(O)c1O	800658733	ZAOBSYLWJSHAFI-ZWKOTPCHSA-N	412.486	3.539	10	20	HHCD	
Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cc(O)cs2)C1=O	807737313	JKSPVBWRQBGKDX-AWEZNQCLSA-N	423.332	3.758	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)n(C)c2ccccc12	472805679	ILYOTCJWVGQELX-UHFFFAOYSA-N	409.461	3.670	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H](O)Cc1cccc(C(F)(F)F)c1	807840128	QSYPGCHUXRISDA-AWEZNQCLSA-N	408.203	3.938	10	20	HHCD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	806422747	CTQQCEXXQILNGC-CQSZACIVSA-N	412.412	3.666	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccccc1)Cc1ccco1	807291533	XZKYRUMXIMBFQS-UHFFFAOYSA-N	415.493	3.501	10	20	HHCD	
CCC(=O)N1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	800719102	GXGOQIMXJCFHNG-KRWDZBQOSA-N	420.985	3.730	10	20	HHCD	
CC(=O)Nc1nc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cs1	800049056	LTWIHCJVSAMIPW-LBPRGKRZSA-N	406.939	3.921	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1	804683391	WRJLHQKBWHHWGA-JOCHJYFZSA-N	411.521	3.898	10	20	HHCD	
CCCC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(OC)cc1	804596035	RLIQZUGXXVLTBO-JTSKRJEESA-N	411.546	3.986	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1	812479643	LDCIOXZJQRTGFF-HNNXBMFYSA-N	403.320	3.706	10	20	HHCD	
C[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)S1(=O)=O	810111529	OIEJXKRDIFNVQX-IYBDPMFKSA-N	400.504	3.548	10	20	HHCD	
OC[C@@H](NCc1cc(Br)ccc1O)c1ccc(Br)c(F)c1	813792657	UCYVACPBGQNIDR-CQSZACIVSA-N	419.088	3.880	10	20	HHCD	
COCCc1noc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1	728792721	WVLJEQNDZBVWAU-INIZCTEOSA-N	400.504	3.593	10	20	HHCD	
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NCc1ccc(N(C)C)cc1C	734687612	MIMVLULPGYWEMA-JOCHJYFZSA-N	411.546	3.960	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2C)cc1Br	734526454	WRRHZKGXVWYREZ-UHFFFAOYSA-N	406.324	3.832	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](c3nnc(S)n3C(C)C)C2)c(C)n1-c1ccccn1	732166819	SHRDFRVFYVJCCJ-KRWDZBQOSA-N	424.574	3.970	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1	734018096	GOUQUNMJQHWOKT-QGZVFWFLSA-N	423.296	3.629	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CSC)cc2)cc1F	731408448	LPEHJAFVTVKOHK-UHFFFAOYSA-N	403.523	3.790	10	20	HHCD	
O=C(CSCc1ccccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1	917708146	ACBUXXOVHCXPKS-UHFFFAOYSA-N	408.926	3.865	10	20	HHCD	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(Oc2ccccc2)c1	919839171	FJCXYVXXPWTCDK-UHFFFAOYSA-N	422.506	3.966	10	20	HHCD	
CCN(CC)C(=O)CN(C)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	917939095	PASSWQVWHAHKDK-UHFFFAOYSA-N	420.351	3.797	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(CCN2CCSCC2)cc1	741065327	XCBHUDABQPZZNU-UHFFFAOYSA-N	422.598	3.976	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](c3nc(C)cs3)C3CC3)CC2)cc1	745864157	LBQDVYQLBXZFQA-IBGZPJMESA-N	400.548	3.833	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCC(F)(F)F	742925569	YSGCKZYZDYSVRE-PKNBQFBNSA-N	408.492	3.798	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCC(=O)c3ccc(F)cc3F)CC2)cc1	918369707	QSOVHNJLXSGMLE-UHFFFAOYSA-N	402.441	3.675	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cccc(N4CCOC4=O)c3C)CC2)cc1	743244365	YWFJSIVOZFZXLU-UHFFFAOYSA-N	424.501	3.704	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)n2)c(C)c1	749738626	VSWCXIKTGYUEGD-UHFFFAOYSA-N	418.544	3.776	10	20	HHCD	
CCOc1ncccc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743098721	TVXXOBDRGBENAF-AWEZNQCLSA-N	406.433	3.872	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@]3(C)CCc4ccccc4C3)cc2F)CC1	742645759	ZBBWXNRPTVRGKB-RUZDIDTESA-N	409.549	3.779	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccnc1-c1ccccc1	755067251	YZDPXCGYMIPORD-UHFFFAOYSA-N	402.498	3.802	10	20	HHCD	
CCN(Cc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)=O	920873169	XXCHAOAJENBLPF-GOSISDBHSA-N	424.545	3.774	10	20	HHCD	
O=C1/C(=C/c2c[nH]nc2-c2ccc3c(c2)OCO3)SC(=S)N1c1cccnc1	920242136	XEJKVJKYOJVMDW-APSNUPSMSA-N	408.464	3.606	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4cccc(Cl)c4o3)cc2)C1	753203529	IVISGNFWAJOPDR-INIZCTEOSA-N	411.889	3.718	10	20	HHCD	
COc1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1Cl	759878953	PXPFEWQJZAPBGO-UHFFFAOYSA-N	406.910	3.697	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(Br)c(O)c3)CC2)cc1	750810568	RRWWYLOLYIDSST-UHFFFAOYSA-N	405.292	3.516	10	20	HHCD	
C[C@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1	920880444	JEAOXNCVVJCNPY-FDDCHVKYSA-N	410.514	3.572	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ncc(C(C)C)s3)CC2)cc1	755385654	NIBZJHZVICYSEX-UHFFFAOYSA-N	417.579	3.609	10	20	HHCD	
CC(C)C(=O)Nc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	760983439	ZPBLDSGIRCKFSJ-UHFFFAOYSA-N	415.877	3.605	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1	767830058	GDBHPZHCCCOLJC-FQEVSTJZSA-N	419.566	3.517	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N(C)C)cc3C(N)=O)c2C)cc1	769168271	HJEWSCCGTZMJCJ-UHFFFAOYSA-N	406.486	3.520	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Nc1cccc(F)c1I	760002205	YBEGRZSOYRZXGS-UHFFFAOYSA-N	400.191	3.800	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(-c3ccccc3)nn2C(C)(C)C)cc1	761840009	YBEQDUVDQKAIKB-UHFFFAOYSA-N	419.529	3.626	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\C(=O)Nc1ccc2n[nH]cc2c1	778634516	NKHVKXPIFRDQQE-QXMHVHEDSA-N	405.502	3.561	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N(C)C)cc1	773860073	YKLYGVINXXLYFV-OAHLLOKOSA-N	414.937	3.822	10	20	HHCD	
C[C@@H](N[C@H](c1ccc(F)cc1)c1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1	775566420	CSTJQNZMQGLTTG-WAIKUNEKSA-N	412.484	3.975	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)c(C)n1-c1ccc(Cl)cc1	779185106	NNNGXRTUAOKNBS-IBGZPJMESA-N	406.877	3.780	10	20	HHCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	778456227	MLRUOCXGIVMCCY-HKUYNNGSSA-N	404.894	3.540	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(OC(F)F)c1	789736622	FZVHDWZBMGZXKD-UHFFFAOYSA-N	408.470	3.780	10	20	HHCD	
CCC[C@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3cc(OC)ccc3O)sc2C1	789465916	UCYOIKIHSRWYRV-OLZOCXBDSA-N	417.531	3.578	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)c(O)c1	797388917	GCIDJCKVDQRXES-UHFFFAOYSA-N	412.486	3.505	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc(C)c1Cl	799833368	QMNGJMFDJASUIZ-UHFFFAOYSA-N	417.962	3.765	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cccc(F)c2)nc1-c1ccc2c(c1)CCC(=O)N2	799187171	NTSQWAHSRFDHLO-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
CO[C@]1(C)CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1	791841890	GSJINPNKMYIRQN-LBKOFNPBSA-N	424.613	3.757	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c(F)c1	790639905	SYBWRPMEVMTPSI-UHFFFAOYSA-N	424.475	3.776	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1	797633134	SQQWSZZBWMMRGQ-LLVKDONJSA-N	412.421	3.917	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC	796324450	IRGNUFBSEPYYOM-JOCHJYFZSA-N	410.514	3.829	10	20	HHCD	
CC1CCN(C[C@@H]2CCCN(Cc3ccc(N4CCN(C)CC4)c(F)c3)C2)CC1	1319948834	VGRNJKGDOKVFSD-QFIPXVFZSA-N	402.602	3.521	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCc2nnc(S)n2C2CC2)c1	1318347068	VKIIARJRTMFPKB-UHFFFAOYSA-N	415.950	3.935	10	20	HHCD	
CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(N2CCN(C)CC2)c(F)c1	1318375020	YVVNXBZFJMAKLU-HXUWFJFHSA-N	402.901	3.817	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccnc(Cc2ccccc2)n1	1320012909	BRKHKXGEJGZRFG-UHFFFAOYSA-N	419.554	3.942	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(-n2cccn2)c(F)c1	1326258399	LZBVWQZYPMPZET-QGZVFWFLSA-N	411.500	3.753	10	20	HHCD	
O=C(CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1817034127	HYCUAXGMHCAJCU-HNNXBMFYSA-N	418.881	3.580	10	20	HHCD	
CN(c1ccc(CNC(=O)CNC(=O)OCc2ccccc2)cc1)C1CCCCC1	72043636	FVOZCVHSFFYOIG-UHFFFAOYSA-N	409.530	3.998	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1	255306319	NBXMUIZAPPZKDT-UHFFFAOYSA-N	420.578	3.687	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1	302897315	MEXOKFOEFFDTQS-XMMPIXPASA-N	422.573	3.502	10	20	HHCD	
COc1ccc(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)c(F)c1	445558406	QLTPLEMNVZRIIF-UHFFFAOYSA-N	423.469	4.000	10	20	HHCD	
Cc1ccc(I)cc1C(=O)N1CCOc2cc(N(C)C)ccc21	476978125	AIGBYCMDCIZBAJ-UHFFFAOYSA-N	422.266	3.705	10	20	HHCD	
CN(CCCNC(=S)Nc1cc(N2CCCC2=O)ccc1F)c1ccccc1	726471715	IJCPNJLDDCZUSD-UHFFFAOYSA-N	400.523	3.765	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cccc(OC(F)(F)F)c2)SC1=S	728083070	AIDRPSXOMFZRJU-FMIVXFBMSA-N	405.419	3.740	10	20	HHCD	
CCN(Cc1ccc(N2CCC(OC)CC2)cc1)Cc1nc(O)c2ccccc2n1	728917226	UTYPNXJLNFEGMU-UHFFFAOYSA-N	406.530	3.973	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cc1F	732457834	UPKSMVFHAKQAEO-KRWDZBQOSA-N	400.281	3.731	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2ccc(-n3cncn3)c(F)c2)C1	733334328	GUTZAZMQJCISOZ-SFHVURJKSA-N	415.900	3.520	10	20	HHCD	
COCCn1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc21	735516684	WKAKRXAYVRJKBL-LJQANCHMSA-N	408.498	3.815	10	20	HHCD	
C[C@@H](c1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1)N1CCOCC1	735575531	VRBZYZAZSAWRGQ-SFHVURJKSA-N	408.546	3.784	10	20	HHCD	
CCOc1cccc(CN[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1O	738438980	HPVSKSAJJSZWQB-QFIPXVFZSA-N	404.510	3.808	10	20	HHCD	
CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CC=CC2)cc1	741090738	MTLAKNWLOKCHHC-UHFFFAOYSA-N	412.965	3.990	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1F	742379643	ZCKOCLYNYVPTSE-GOSISDBHSA-N	407.436	3.778	10	20	HHCD	
CCNC(=O)NC1(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCCC1	742416369	UQBKNYPQVYXWPC-UHFFFAOYSA-N	400.567	3.704	10	20	HHCD	
CN(c1ccc(CNC(=O)C[C@@H](NC(N)=O)c2cccs2)cc1)C1CCCCC1	742416518	ADKKSMFYRHXJCX-LJQANCHMSA-N	414.575	3.933	10	20	HHCD	
CO[C@](C)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	742805109	GPGMTRAAEKAXQC-JTSKRJEESA-N	404.457	3.935	10	20	HHCD	
CCC(CC)(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	743749968	FUEXMDOAHQPQMS-FQEVSTJZSA-N	407.558	3.763	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1	745755464	UJBAOCGRVWIXTH-CABCVRRESA-N	412.372	3.807	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1O	745788563	SLRFDLAYTXAPBS-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C	745926493	FMAJUQBRIHRZPM-UHFFFAOYSA-N	406.571	3.976	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc(N4CC=CC4)cc3)ccc2NC1=O	745929009	AJUXYULICGLCKV-KKSFZXQISA-N	420.513	3.733	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CSc2n[nH]c(C)n2)cc1	746244277	CMJMAPPYPDEEQE-UHFFFAOYSA-N	411.531	3.513	10	20	HHCD	
COc1csc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	746863471	XHRNRRNUKDDLKF-KRWDZBQOSA-N	419.547	3.819	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	747366702	KTWBGZZQMWGJAU-MBSDFSHPSA-N	411.521	3.504	10	20	HHCD	
COc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N(C)Cc1ccccc1O	747475583	BFZTZTLIYKETIT-UHFFFAOYSA-N	406.438	3.790	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)C[C@@H](O)C2CC2)sc(C)c1-c1ccccc1	747656138	FXBUDXKUDXPLCJ-QGZVFWFLSA-N	416.543	3.541	10	20	HHCD	
CC(=O)N(C)C1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1	748077559	JEULEZZCQIUIDS-UHFFFAOYSA-N	420.509	3.917	10	20	HHCD	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1	748357928	KRINIAXIOZSPIQ-CXUHLZMHSA-N	400.437	3.909	10	20	HHCD	
CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)ccc21	748684619	NTOHMIAXHFTTDE-UHFFFAOYSA-N	413.524	3.828	10	20	HHCD	
O=C(N[C@@H]1CCCc2occc21)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751060041	NRBCOLZHRSHSMA-OAHLLOKOSA-N	418.496	3.655	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	751386479	GHCWHGGJQDSGFY-OPAMFIHVSA-N	411.521	3.508	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1	752022992	GZILVILLLQLJGZ-KRWDZBQOSA-N	412.490	3.895	10	20	HHCD	
CCOC(=O)/C(=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(OCC)cn1	752878064	QXIAHRORIHMZSC-AQTBWJFISA-N	400.450	3.560	10	20	HHCD	
CCc1cc(N2CCC(N[C@H](C)c3cc(Br)cc(F)c3O)CC2)ncn1	756639560	ZPFGTCYTEWYTNC-GFCCVEGCSA-N	423.330	3.966	10	20	HHCD	
C[C@@H](CSc1ccc(F)cc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	756720011	ZCXKSKVAPSFMMA-INIZCTEOSA-N	418.534	3.822	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1	760890238	SLPIEDQGEZRHHQ-UHFFFAOYSA-N	421.492	3.578	10	20	HHCD	
CSc1nsc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	762954424	UKYQODFVFSFVQL-SNVBAGLBSA-N	415.491	3.652	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C	765170454	OVKGHODEIGPIFX-UHFFFAOYSA-N	403.504	3.631	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@H](C)c3ccc(-n4ccnc4C)cc3)CC2)cc1	765402335	NJZPORWZXGJCTJ-HXUWFJFHSA-N	419.573	3.662	10	20	HHCD	
CN(Cc1ccccc1O)S(=O)(=O)c1c(Cl)cc(F)cc1Br	767262681	MYAGJBSRSYXRLT-UHFFFAOYSA-N	408.676	3.768	10	20	HHCD	
Cc1sc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-]	767670021	CXZVDXZSJUVJLQ-UHFFFAOYSA-N	409.533	3.776	10	20	HHCD	
Cc1cccc(-c2cncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)c1	768561196	VYDIMQOEXIWIDU-UHFFFAOYSA-N	405.473	3.963	10	20	HHCD	
Cc1ccc2nc(COc3cccc(C(=O)NCc4ccc(O)c(O)c4)c3)cn2c1	768913845	DWHYEQMOKIMHDI-UHFFFAOYSA-N	403.438	3.563	10	20	HHCD	
CN(Cc1cccc(Br)c1O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21	770383093	BSCBJZIVXUHMNF-CQSZACIVSA-N	416.724	3.769	10	20	HHCD	
CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	770673451	ARMXTMQCAFFERF-UHFFFAOYSA-N	414.477	3.548	10	20	HHCD	
O=[N+]([O-])c1cc(CNc2cccnc2N2CCC(O)CC2)ccc1N1CCCCC1	773405538	NWCSMYXJGYPWMF-UHFFFAOYSA-N	411.506	3.553	10	20	HHCD	
CN(C)c1ccc([C@@H](CNCc2nn(C)c3ccccc23)NC(=O)OC(C)(C)C)cc1	773408535	IBVSAYYBIOYYGX-HXUWFJFHSA-N	423.561	3.995	10	20	HHCD	
C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)c(Br)c1	775393643	GMRVUXUMKVYRDI-CYBMUJFWSA-N	408.315	3.621	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(CN(C)Cc4ccccc4)CC3)cc2)CC1	775679274	TZAKCOUZCWMEBG-UHFFFAOYSA-N	406.618	3.782	10	20	HHCD	
COC(CN(CCCO)C(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C)OC	776559798	BKWWGCSWYDCSSG-UHFFFAOYSA-N	402.535	3.661	10	20	HHCD	
CC(C)(C)OC(=O)c1cccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1	777870333	RJXCZDKMXMNKBW-KAMYIIQDSA-N	407.513	3.708	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1	781045589	LFYSZQWEUTUSOW-UHFFFAOYSA-N	422.312	3.923	10	20	HHCD	
CCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCN(C(=O)c2ccccc2)CC1	781152279	MURGUCBCNCHTQD-UHFFFAOYSA-N	411.521	3.841	10	20	HHCD	
C[C@@H](NCC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)c(F)c1	783297314	DSQRLHZOKAKBTA-OAHLLOKOSA-N	403.464	3.587	10	20	HHCD	
COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784061743	UKLVNHXWXGUAJK-UHFFFAOYSA-N	424.501	3.540	10	20	HHCD	
Cc1cccc(Oc2ccccc2NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	785295853	JISJBZYOVBMRBS-MRXNPFEDSA-N	420.465	3.884	10	20	HHCD	
O=C(OCC(=O)C1CCCCC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785408106	QOAGITQXQDEKQS-UHFFFAOYSA-N	423.512	3.561	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Cl)c(OC)c2)cc1	789371334	XTIRFBYQZOLNNM-UHFFFAOYSA-N	403.910	3.792	10	20	HHCD	
CC(C)Cc1ncc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1	791948655	FFDDBLHTPJQYHN-HOTGVXAUSA-N	415.513	3.750	10	20	HHCD	
CC[C@@H](C)n1ncc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1C	792481646	LBJGCWXOSDZMLK-MRXNPFEDSA-N	416.545	3.765	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(Cl)n2)cc1	792964264	JSVWSWXNPCQSGT-UHFFFAOYSA-N	412.877	3.562	10	20	HHCD	
CO[C@@H]1CCC[C@H](CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	793102982	PVOWBNMFSPKLTN-MAUKXSAKSA-N	414.468	3.754	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Br)cc1C(F)(F)F	794938658	MZJKEWOXFSMAQD-GHXNOFRVSA-N	421.238	3.770	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)c1	795082019	UYJZPJRRSXSUQK-SNVBAGLBSA-N	407.257	3.779	10	20	HHCD	
O=C(NCCCO)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1	795805728	LWICDBFCBUEXCP-UHFFFAOYSA-N	415.537	3.974	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H](CCO)C3CCOCC3)cc2Cl)C1	800719236	IIXXRHZTEPWWKT-UZLBHIALSA-N	423.985	3.553	10	20	HHCD	
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)NCCCSc1nccs1	803573830	QHUAFBCNAYPYBY-HNNXBMFYSA-N	405.589	3.614	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2cccs2)C2CC2)cc1F	804852410	HNFMTLISDDZXLH-UHFFFAOYSA-N	403.523	3.541	10	20	HHCD	
Cc1nn(CC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c(=O)c(CO)c1C	806579615	MBMCTFMGEVEPKM-UHFFFAOYSA-N	407.514	3.766	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807837097	AXRGFAIJKNJLKU-UHFFFAOYSA-N	417.314	3.781	10	20	HHCD	
Cc1nc(Cc2noc(-c3cc(C)n(-c4ccc(Br)cn4)c3C)n2)no1	904348655	SWEOERSKGMTHLQ-UHFFFAOYSA-N	415.251	3.584	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)n1-c1ccccn1	914848153	WYILMRRXZDUMFI-UHFFFAOYSA-N	422.916	3.741	10	20	HHCD	
COc1ccc(CN(C)C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1F	917075159	QUNKMDUCVZNZJP-UHFFFAOYSA-N	401.526	3.769	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1cccc(C(F)(F)F)c1	918168129	PFPCCYYHXFIMNW-UHFFFAOYSA-N	421.463	3.914	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	918438451	PKILFOWCCRKLQB-UHFFFAOYSA-N	423.460	3.514	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCSCc3ccccn3)cc2F)C[C@@H](C)O1	918700116	YONNNBVRXHFRKK-IAGOWNOFSA-N	417.550	3.774	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)ccc1Br	919725330	XBBZRZDSSUCQAC-UHFFFAOYSA-N	409.349	3.836	10	20	HHCD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2c(Cl)ccc3nonc23)cc1	1320978193	GSOBVHONLPRMEC-LLVKDONJSA-N	404.879	3.884	10	20	HHCD	
COc1cc(Br)c(OC)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	1322521574	QMORQDVANJNTCA-JTQLQIEISA-N	410.264	3.672	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1	7229918	RLOBGWJVDRQUQQ-UHFFFAOYSA-N	407.543	3.619	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1C	107842123	OIGYGORXWDAKEZ-UHFFFAOYSA-N	416.437	3.904	10	20	HHCD	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1C	393078451	KPWLGYRVTYQNQQ-UHFFFAOYSA-N	407.275	3.621	10	20	HHCD	
COCCCC[C@@H](NC(=O)C(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1	570542025	IKZOGKBEYQAMMH-OAQYLSRUSA-N	421.541	3.777	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)CC(=O)N(C)C3CCCCC3)ccc21	590701305	AUQIXGSGCOCBGK-UHFFFAOYSA-N	413.562	3.768	10	20	HHCD	
CO[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	726612797	LAJPZFSXDCNRKW-FQEVSTJZSA-N	419.472	3.944	10	20	HHCD	
C[C@H]1CCCCN1CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726701123	XGQQMBPLMXLNLH-KRWDZBQOSA-N	424.536	3.821	10	20	HHCD	
CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3cccs3)sc2C)s1	727249018	KDXZXVZWENMNRR-UHFFFAOYSA-N	413.571	3.678	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)c1	728983126	UUSRXOINAKQXJP-OAHLLOKOSA-N	421.497	3.748	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1	729067464	UDUPMUJAFWOBTL-ZDUSSCGKSA-N	400.475	3.523	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nc(NCc3ccco3)ncc2Cl)c1	729535869	WEUFWFRDZSXCRA-LLVKDONJSA-N	402.838	3.540	10	20	HHCD	
CN(C)c1ccc(CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C2CC2)cc1	733188003	GOUYSDMPKUEERS-UHFFFAOYSA-N	419.485	3.794	10	20	HHCD	
CCCC[C@@H](COC)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	736376342	SZNQDHBXTWUMHD-INIZCTEOSA-N	417.472	3.546	10	20	HHCD	
Cc1ccc(-c2nnco2)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	736986591	RGNDPSQQBJQWOT-SFHVURJKSA-N	408.458	3.964	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1nnc(Cc2cccc(F)c2)s1	741067222	JMFKEYCMCNLVJD-UHFFFAOYSA-N	409.490	3.966	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COc2ccc(O[C@H](C)C(N)=O)cc2)c1C	742361839	ZTFPYTICFJGOQX-GOSISDBHSA-N	406.482	3.917	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)NC(=O)CO2	743079018	NYMWGJWSRNXRJL-UHFFFAOYSA-N	420.263	3.540	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C12CCCC2	743564401	KSUGZDABWRASHV-DUXKGJEZSA-N	401.551	3.621	10	20	HHCD	
CC(C)(CNC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)OCCO2	743568613	ITCOVYOABKDQOZ-UHFFFAOYSA-N	410.514	3.819	10	20	HHCD	
CCN(CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(OC)cc1	744392120	UHLKFRDZHVFAPY-UHFFFAOYSA-N	423.435	3.637	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)N1CCCC[C@@H]1C	745494275	QPICRTORQLHCKV-GJZGRUSLSA-N	412.372	3.949	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1C	746283607	QKWWYRHQLIRKPK-QGZVFWFLSA-N	407.436	3.686	10	20	HHCD	
CC[C@](C)(NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(F)(F)F	746483943	PQADSILPXPPXEN-FQEVSTJZSA-N	404.388	3.721	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(-c4nnc(C)o4)cc3)CC2)cc1	747565667	UFPMJBBHNVJSNV-UHFFFAOYSA-N	407.474	3.844	10	20	HHCD	
CN(C(=O)/C=C\c1cccnc1)c1ccc(NC(=O)/C=C\c2cccnc2)cc1F	747877742	WCDZRHPBNOTJBX-SQXCDDPUSA-N	402.429	3.944	10	20	HHCD	
CC[C@@H](C)Oc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OC	749673072	ANLKKBZEIABXMO-COOUDCDJSA-N	409.529	3.939	10	20	HHCD	
COCCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O	751446649	MTJOXBRVWFVRLW-SFQUDFHCSA-N	415.492	3.816	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N(C)Cc1ccccc1	751938321	YHFIHESGHIKYOY-OAHLLOKOSA-N	409.511	3.520	10	20	HHCD	
CCOc1ccccc1C(F)(F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	753634457	MXALOFOEDJSSIH-UHFFFAOYSA-N	422.447	3.594	10	20	HHCD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	753637368	SUUMLQYGAHMJMI-ZDUSSCGKSA-N	413.905	3.844	10	20	HHCD	
COC(=O)CCSc1ncccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	753750961	KBSVWFTYYPLZPW-UHFFFAOYSA-N	410.499	3.792	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1F	753861280	OWZLNCDQZPFAMQ-UHFFFAOYSA-N	412.292	3.902	10	20	HHCD	
COc1cc(CN2CCn3c(Cc4ccccc4)nnc3C2)c(O)c(C(C)(C)C)c1	754739742	AHPSNBIZTJWDNZ-UHFFFAOYSA-N	406.530	3.896	10	20	HHCD	
COc1ccc2ccc(O)c(CN(C)c3ccc(C(=O)N4CCOCC4)cc3C)c2c1	754767368	XTWUGHCQAVYKBX-UHFFFAOYSA-N	420.509	3.971	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	755459447	MNGBCNULTFHUPX-RXVVDRJESA-N	424.520	3.973	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2CCN(Cc3ccc(OC)cc3)CC2)c1	756497299	SXNLJELITPUQCF-KRWDZBQOSA-N	412.530	3.750	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1ccc(Br)cc1)c1cc(F)cc(F)c1O	756525481	PKQXBTHWQMXJSF-LLVKDONJSA-N	413.262	3.904	10	20	HHCD	
CCOC(=O)COc1ccc(CCN[C@@H](C)c2cc(Br)ccc2O)cc1	756731097	DTDKJXIEBQMGLI-AWEZNQCLSA-N	422.319	3.990	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CC[C@H](O)C1)c1ccc(Br)cc1O	757636228	DPFKMJPPUXQURF-KDOFPFPSSA-N	405.336	3.572	10	20	HHCD	
CCn1nc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1C1CC1	759026079	IUEFXIIPCLVLBN-UHFFFAOYSA-N	423.561	3.804	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](C)[S@](=O)CC2)c(C)n1-c1ccc(F)c(Cl)c1	759871393	URUHOSWLPQUYRO-LOKFHWFJSA-N	410.942	3.912	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](c2ccccn2)c2ccccc2OC)c1	760863761	UNUNXGPEBABQNK-QRQCRPRQSA-N	407.470	3.954	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(C(=O)OCc2ccccc2)c1	761646088	QVTUUZBERLKKDC-UHFFFAOYSA-N	406.438	3.819	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)c2C)cc1	764463993	AILJLVSFOWYRCK-CPJSRVTESA-N	422.617	3.543	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc(CCOC(C)=O)c3)CC2)cc1	764710281	TXEDXUWJWIPKIY-UHFFFAOYSA-N	411.502	3.591	10	20	HHCD	
C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1	765280847	DAFGFVBKAYBBLO-GOSISDBHSA-N	415.965	3.703	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(OCCN(C)C)c1	765298549	WUAJVISSFRNZDX-FQEVSTJZSA-N	411.590	3.687	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H](O)c3ccc(OC(F)(F)F)cc3)CC2)cc1	765503767	LUZUJDZJTDZADR-HXUWFJFHSA-N	410.436	3.886	10	20	HHCD	
CC[C@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)c1ccc(N(C)C)cc1	765953909	JSYOIYCRMMUOSS-QHCPKHFHSA-N	400.611	3.518	10	20	HHCD	
CN(C)c1nc2cc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc2o1	766160125	ABHHPCSEVOPFQQ-KRWDZBQOSA-N	410.474	3.813	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	766250305	TXIVIXXDLJSVQM-UHFFFAOYSA-N	424.501	3.703	10	20	HHCD	
CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc(N2CCOCC2)c(F)c1	768169106	PCWBTDMLPRHZJF-UHFFFAOYSA-N	415.509	3.522	10	20	HHCD	
CSC[C@@H](CCO)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	768868350	MCFFGSOUOPQSRL-OAHLLOKOSA-N	411.365	3.700	10	20	HHCD	
O=C(NC1CCN([C@H]2CCC[C@@H]2O)CC1)N(Cc1ccccc1O)C1CCCCC1	769158130	YWCGXTKHVQKLJJ-GMAHTHKFSA-N	415.578	3.614	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)/C(=C\c1ccccc1)NC(C)=O	769290227	IOBZQZVHZNZECN-WOJGMQOQSA-N	417.303	3.680	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCN(CC(F)(F)C(F)F)CC2)ccc1N1CCCCC1	769422102	HBYHPSWDYJCRPB-UHFFFAOYSA-N	418.435	3.603	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2N2CCc3ccccc32)c1	769683884	AWARETGIDAOEMV-UHFFFAOYSA-N	423.494	3.710	10	20	HHCD	
CC[C@@H](c1ccncc1)N(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	769937511	PXAYCBDDXBEXDF-NRFANRHFSA-N	413.477	3.879	10	20	HHCD	
CC(C)(C)OCc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1	769969137	PIYDIIPPMJCLMA-AWEZNQCLSA-N	423.460	3.990	10	20	HHCD	
COc1ccc2c(c1)nc(CNC(=O)NCc1ccc(N3CCC(C)CC3)cc1)n2C	770405848	OMGQQNPAUSMTAW-UHFFFAOYSA-N	421.545	3.818	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1[N+](=O)[O-]	771185566	JXMYAZFZAGXCHY-GJZGRUSLSA-N	416.453	3.978	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl	771526451	VHVIRRGSHVOBNY-UHFFFAOYSA-N	418.877	3.798	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1	772688442	OLMPSRFVPSWYNW-PKTZIBPZSA-N	421.545	3.839	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)N2CCCC2)cc1	773617310	DQMZCMLOOZRHDY-FDDCHVKYSA-N	410.562	3.959	10	20	HHCD	
Cc1cn2cc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)ccc2n1	774181351	UNKHLGKGMOSRKV-UHFFFAOYSA-N	419.529	3.667	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1O	774850232	NKKGGCOJFRPXNB-NXEZZACHSA-N	402.291	3.872	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2ccc(F)c(F)c2)nc1-c1ccccc1	775207094	GQAIFJOCHBEUTE-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
COc1ncc(/C=C\C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cn1	775863145	KUULKNZPERYAAS-KHPPLWFESA-N	410.474	3.677	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3c(F)cccc3Cl)cc2F)C[C@@H](C)O1	776290048	GISLXJPPLYIHEK-ZIAGYGMSSA-N	424.875	3.927	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cc(C)c(C)cc3Cl)CC2)cc1	781113962	QPQDUJJNOWBXLG-UHFFFAOYSA-N	415.965	3.908	10	20	HHCD	
CCOc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3ccc(O)c(O)c3)s2)cc1	782705496	RKGJIGKPHRZHEF-UHFFFAOYSA-N	413.451	3.968	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1	783316050	HIUJKVSQHXJFDR-UHFFFAOYSA-N	424.545	3.845	10	20	HHCD	
CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	784060147	WRJDETAYFSHILS-UHFFFAOYSA-N	422.529	3.631	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N[C@@H](C)c2cccc3ccccc23)cc1	784554065	JNNNTAKERUMTFA-KRWDZBQOSA-N	406.482	3.705	10	20	HHCD	
CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	785295448	VIROKZSKJJHLKK-LBPRGKRZSA-N	422.934	3.938	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCC2(Sc3ccccc3)CCCC2)cc1	785444318	SBLXTKJMBUOMJR-UHFFFAOYSA-N	411.571	3.590	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CCCc4c(O)cccc43)cc2F)C[C@@H](C)O1	789743419	VPUKPCNMIRMQQV-YRNRMSPPSA-N	412.505	3.881	10	20	HHCD	
Cc1ccc(CN2CC[C@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2=O)cc1	790696112	JPZZAWVPVWLZHL-QHCPKHFHSA-N	420.557	3.536	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Cl)c1Br	792206927	RLZQPETXARSRSJ-UHFFFAOYSA-N	424.726	3.766	10	20	HHCD	
COc1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)c(O)c1	794388485	WATQTYDRYHCWFS-UHFFFAOYSA-N	420.303	3.528	10	20	HHCD	
COc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1S(=O)(=O)NC1CC1	796432090	XYHZNDTYJYJNBI-UHFFFAOYSA-N	417.314	3.760	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	799236872	ZNTGYFOWBDYIJQ-KRWDZBQOSA-N	415.446	3.912	10	20	HHCD	
COC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C[C@@H](C)O1	799995216	UPXNQPYJJPKIIW-JZXOWHBKSA-N	409.958	3.522	10	20	HHCD	
Cc1ccc(C[C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1	805023587	WRWLDEBLCDHHRM-KRWDZBQOSA-N	413.587	3.656	10	20	HHCD	
Cc1ccccc1[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)C	807289436	UTHJPBHLDRZBRY-QFIPXVFZSA-N	405.542	3.891	10	20	HHCD	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1	808085014	SYNPDJIYOOMXNR-RXVVDRJESA-N	416.562	3.763	10	20	HHCD	
CC(C)(CNC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1=CCCCC1	809794941	KYAXOVRXXNZTGT-HXUWFJFHSA-N	414.546	3.543	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCC(c3noc4cc(F)ccc34)CC2)cc1	810046761	WCGMLYCAHMIOSN-UHFFFAOYSA-N	410.493	3.529	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1cc(C(F)(F)F)ccc1Br	811688958	UPVKPOUQAFYJAF-WQLSENKSSA-N	421.238	3.770	10	20	HHCD	
Cn1c(=O)c(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc2ccccc21	813839116	UFOVFMOYQAJMHW-UHFFFAOYSA-N	406.269	3.550	10	20	HHCD	
OCC1([C@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)C2CC2)CCOCC1	816656970	HPWZTHZHVOGIFO-RUZDIDTESA-N	406.570	3.907	10	20	HHCD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	917709498	ZHZOROZGGMYELK-JUXOCIIHSA-N	406.542	3.756	10	20	HHCD	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnc4c(cnn4C)c3)n2)cc1C	1116683157	HJGBBVJSVDCDND-UHFFFAOYSA-N	413.528	3.818	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)CC2)cc1	1319397864	UCUWSLHPDWFOMO-DEOSSOPVSA-N	419.525	3.698	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)C1CCCCC1	1800715284	DZMCOTFUHKZXNC-MUJYYYPQSA-N	406.910	3.583	10	20	HHCD	
Cc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1	7192944	AVVUQVXPMYPNOA-SNVBAGLBSA-N	409.492	3.741	10	20	HHCD	
CC(C)n1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccccc2c1=O	7693503	DJQIRYJYRYGCDG-UHFFFAOYSA-N	424.570	3.794	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)c2C)cc1	25993926	PIKYIWOFJYWQHX-UHFFFAOYSA-N	421.497	3.822	10	20	HHCD	
O=S(=O)(c1ccccc1NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F	52457053	PYLUSPNLLZJPTC-UHFFFAOYSA-N	418.412	3.568	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)ccc21	212009865	XCGCAQBKCRQGTI-BENRWUELSA-N	417.553	3.637	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)cc1F	303400775	ZZXPZJKGSDAHJY-HNNXBMFYSA-N	416.497	3.967	10	20	HHCD	
Cc1ccc(-c2n[nH]c(SCC(=O)NCc3c(C)c4ccccc4n3C)n2)cc1	473281587	PVALOCGZRRGUGE-UHFFFAOYSA-N	405.527	3.989	10	20	HHCD	
Cc1ccc(C(=O)OCc2nnc(-c3ccc(Br)s3)o2)c(O)c1O	727005319	NRFRKRMDZILNGL-UHFFFAOYSA-N	411.233	3.637	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(N(C)C(C)=O)CC3)c2C)cc1	728916851	RGDLECXTGPVTAR-UHFFFAOYSA-N	411.546	3.618	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc21	730230718	VQBLBIQHNZJXDJ-SFHVURJKSA-N	415.534	3.644	10	20	HHCD	
Cc1nc2ccnn2c(C)c1CCC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731016892	SZXJWKPGAPSTIY-UHFFFAOYSA-N	405.546	3.831	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@H]3CCN(CC(F)(F)F)C3)cc2)CC1	731049027	XCGZMGXWPUGZCB-GOSISDBHSA-N	412.500	3.606	10	20	HHCD	
O=C(NCCCSc1nccs1)c1occc1CN1C(=O)Cc2ccccc21	733972371	FHFOOSCDMVGLEY-UHFFFAOYSA-N	413.524	3.738	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1	734064881	NSTVABFGSJSGMH-IBGZPJMESA-N	403.910	3.691	10	20	HHCD	
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCc3ccc(N(C)C)cc3C)C2)c1	734406444	XKCGIBWLOBVVHC-HXUWFJFHSA-N	408.546	3.930	10	20	HHCD	
Cc1cnn(-c2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2F)c1	737010523	YQLWZZTVMUAZLI-UHFFFAOYSA-N	423.492	3.820	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1c1cccc2c1OCCO2	740919426	SQYNMKOJSLKFRH-NRFANRHFSA-N	405.498	3.881	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1	742553789	IXTXAAAZIRMOPC-IBGZPJMESA-N	419.591	3.646	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1	743666994	SISDPJLORVPAQK-HKUYNNGSSA-N	404.555	3.635	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCc1cccc(Cl)c1	746231903	VKPFBWDZISBHOH-UHFFFAOYSA-N	401.938	3.951	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1F	746316097	MWZDVFWCQLEMDL-WIYYLYMNSA-N	403.473	3.829	10	20	HHCD	
Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c(C)n1-c1ccccn1	746638019	KYXQZVKEVLAKSD-NRFANRHFSA-N	416.525	3.914	10	20	HHCD	
CC(C)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	746952199	OLXCLUYNEBDGSI-JOCHJYFZSA-N	422.573	3.756	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)C(=O)CCC4)cc2)CC1	750255252	IFHJOTSRBHJUSL-UHFFFAOYSA-N	419.525	3.697	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCC3CCN(CCC(C)C)CC3)CC2)cc1	751112317	UGOWUSYBMUVNAU-UHFFFAOYSA-N	416.610	3.675	10	20	HHCD	
CCOC(=O)CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	752653373	ZOGGORDDHURNDR-IBGZPJMESA-N	419.591	3.505	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3coc(-c4ccccc4)n3)CC2)cc1F	753939324	IVHJPXLSHVZGKF-UHFFFAOYSA-N	410.449	3.521	10	20	HHCD	
CCc1nn(C)c(CC)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	754021915	KWFRPPKBXCQSPP-UHFFFAOYSA-N	405.564	3.774	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](C)c3cccc4ccccc34)CC2)cc1	754104792	GQSRSSQLNXVRCT-REWPJTCUSA-N	419.569	3.682	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(-c2ncco2)c1	754476552	MZXKNHKRIXZZNR-UHFFFAOYSA-N	410.449	3.764	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc2ccccc2c1O	756415876	LDRCYVLKFKHPKG-SFHVURJKSA-N	403.526	3.784	10	20	HHCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)[C@H]1CN(Cc2ccccc2)CCO1	756653358	DODKVUVDDQQWOU-JWNTYJGQSA-N	412.530	3.509	10	20	HHCD	
CNC(=O)CCOc1ccc(N[C@H](C)c2cc(Br)cc(F)c2O)cc1	757593463	NCKQBPOTOICHBP-LLVKDONJSA-N	411.271	3.982	10	20	HHCD	
CC(C)S(=O)(=O)CCCN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	758714080	BCLVWVKLPLPRAJ-UHFFFAOYSA-N	410.580	3.677	10	20	HHCD	
COc1cc(N2CCN(Cc3ncc(-c4ccccc4C)o3)CC2)cc(OC)c1OC	759876698	BQZNCFBPKMOLOV-UHFFFAOYSA-N	423.513	3.998	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)cc1	760014730	BZOQYSKIGORTOY-RUZDIDTESA-N	409.574	3.545	10	20	HHCD	
COc1ccc(N2CCC(NCc3ccc(S(C)(=O)=O)c(Cl)c3)CC2)cc1	760031597	WMXBXHMTBUDULP-UHFFFAOYSA-N	408.951	3.511	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnc([C@H]2CCCO2)s1	760741000	BEUPECAXUGNIQX-DOTOQJQBSA-N	421.950	3.748	10	20	HHCD	
COc1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1NC(=O)OC(C)(C)C	761622577	SAMIOEJLYOZURQ-UHFFFAOYSA-N	417.462	3.818	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(C(=O)N2CCc3ccccc32)c1	761635970	BRMJLRPKHWKJSQ-UHFFFAOYSA-N	417.465	3.665	10	20	HHCD	
CC[C@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccc(F)cc1	763465203	VNVPMEACWYDTQE-FQEVSTJZSA-N	401.501	3.917	10	20	HHCD	
CC(=O)Nc1c[nH]c(C)c1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	763743134	KZHSHQQZVXWPHE-UHFFFAOYSA-N	411.433	3.868	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	764188187	QRWWFNJVPFPEOD-UHFFFAOYSA-N	407.474	3.897	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(Nc3cc(N4CCSCC4)ncn3)CC2)cc1	764804724	ASZVMPGWBHLFET-UHFFFAOYSA-N	421.517	3.712	10	20	HHCD	
O=C(c1ccc(Cl)cc1)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	768237498	OEEFGJXXBKZDBI-UHFFFAOYSA-N	410.257	3.565	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccn(-c2ccccc2)n1	768914632	FTPXDWDKNIZYKA-SFHVURJKSA-N	410.905	3.626	10	20	HHCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)[C@@H](CO)c1cccc(Br)c1	769528802	YGVOVOYGJGAIMD-HNNXBMFYSA-N	415.671	3.882	10	20	HHCD	
Cc1nc(-c2cc3c(s2)CCN(Cc2cc4c(cc2O)OC[C@@H]4O)C3)cs1	771624098	WMISGFFYZFBMNK-KRWDZBQOSA-N	400.525	3.870	10	20	HHCD	
CCCc1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n(C)n1	772594197	WCVUFFINWLCSRC-UHFFFAOYSA-N	407.465	3.765	10	20	HHCD	
Cc1oc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2c1C	773213955	UTGNITQMNITCEC-LJQANCHMSA-N	422.481	3.902	10	20	HHCD	
Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	773743714	IGWIPHOSHDPYLH-CQSZACIVSA-N	410.470	3.572	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1	775207366	VAJAFZPNTNBFRN-UHFFFAOYSA-N	415.291	3.682	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1	775209083	RHZOCYIEMJIHGK-UHFFFAOYSA-N	417.512	3.968	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc(Cl)ccc1O	775580901	NDTBYGKPKMCGHS-KRWDZBQOSA-N	412.914	3.966	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(Cc2cccc(F)c2)CCC1	775870896	INSVDGBQTQORJB-UHFFFAOYSA-N	414.496	3.955	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN[C@H]1CCN2CCC[C@H]2C1	776019916	SBUWNHDDNNDOBR-STQMWFEESA-N	404.146	3.634	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(O)(C(F)F)CC1	778934641	GMSQDZWJOVCDMF-UHFFFAOYSA-N	402.401	3.659	10	20	HHCD	
COc1ccc(SCCCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	780156782	SISQRTXNQWQYFZ-UHFFFAOYSA-N	400.544	3.925	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1C1CCCCC1	781135966	DYBBWIGZAKSVJN-UHFFFAOYSA-N	400.498	3.602	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)c1ccccc1C(F)(F)F	785445268	VKAIYCDBKWBADG-LSDHHAIUSA-N	421.463	3.696	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2nc3ccccc3s2)cc1	788974143	CYJNKRPNSIVZOD-HNNXBMFYSA-N	410.543	3.636	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)cn1	790107588	IMWKVWYERDEDME-ZROIWOOFSA-N	420.947	3.618	10	20	HHCD	
CCN(C)c1ccc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)cn1	790108167	NJMHJGFDPZTYKC-LICLKQGHSA-N	415.540	3.961	10	20	HHCD	
CC[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Cl)c(Cl)c1O	790759807	UIKSRSIWKKCVDB-INIZCTEOSA-N	418.342	3.706	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccc(OC)c(F)c1	791249567	HVRMBRJNFYQWAT-UHFFFAOYSA-N	416.493	3.765	10	20	HHCD	
COC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CCOCC1	792730147	MJPAYKOHEHXZJK-UHFFFAOYSA-N	423.868	3.808	10	20	HHCD	
CC[C@@H](NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc(C)cc1O	794829962	WPYZXDCHMCRGRY-SIKLNZKXSA-N	414.521	3.598	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)cc1C	797676141	CQJOIHZDINZTOG-UHFFFAOYSA-N	401.482	3.734	10	20	HHCD	
CN(c1ccc(CNC(=O)NC2(C(=O)O)CCSCC2)cc1)C1CCCCC1	797714748	FDISEFZZMVTZJS-UHFFFAOYSA-N	405.564	3.605	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3OCO4)n2)cc1	800926586	RMWGOBIBULRRFR-UHFFFAOYSA-N	404.469	3.738	10	20	HHCD	
Cc1nc2cccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2[nH]1	801869905	LBFGZVTUXXWJKQ-UHFFFAOYSA-N	400.429	3.872	10	20	HHCD	
Cc1cc(C(=O)OCc2ccc[n+]([O-])c2)c(C)n1-c1ccccc1Br	802179005	FTIXDRCKEGOCIL-UHFFFAOYSA-N	401.260	3.847	10	20	HHCD	
CC1CCN(c2ccc(CNc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)cc2)CC1	804441604	FGTAAVGMLKCYPM-UHFFFAOYSA-N	409.490	3.634	10	20	HHCD	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCCCSc2nccs2)cc1	806275928	ZSUUOOJJBGNXPA-ROUUACIJSA-N	417.600	3.845	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(C)ccc1OC(F)F	808270625	JDWDLDFXQZHKGL-UHFFFAOYSA-N	420.456	3.747	10	20	HHCD	
Oc1ccccc1CN(Cc1nc2ccccn2c1Br)C[C@@H]1CCCO1	809538731	SPESKNDBIZGZPI-INIZCTEOSA-N	416.319	3.984	10	20	HHCD	
COCC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)CCOCC1	811434336	PQGVTONZCFTEKR-UHFFFAOYSA-N	413.514	3.880	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(F)(F)[C@H](CO)C3)cc2Cl)C1	813156532	JAORVBSOJGTCQC-HOCLYGCPSA-N	415.912	3.735	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(F)c3Br)c2)CC1	815672544	HRXYGJRWQYEYDZ-UHFFFAOYSA-N	420.282	3.542	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CCc2cncs2)NC(=O)OC(C)(C)C)cc1	815710005	APCMRKIJEIJECM-GOSISDBHSA-N	418.563	3.524	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CC[C@@H]3CCCO3)c2C)cc1	914970806	COTHZFRKPLATCZ-IBGZPJMESA-N	413.470	3.566	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1	915710862	ULRQVDJUDCLJPQ-UHFFFAOYSA-N	424.545	3.669	10	20	HHCD	
CCN1CCN([C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1	916640480	FQURSBIMMBYQRD-QGZVFWFLSA-N	405.489	3.904	10	20	HHCD	
CCCCN(CC(=O)c1cc(C)n(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1	916645214	XLOPCDSJRRLFLS-FQEVSTJZSA-N	402.560	3.566	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cncn3-c3ccccc3)cc2F)C[C@H](C)O1	917711250	MQWFGEPYDYMDLF-IRXDYDNUSA-N	408.477	3.555	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccc(N3CCCC3=O)cc2)C2CC2)cc1	918059844	QXAJMVBDRBXAKH-UHFFFAOYSA-N	406.530	3.754	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1	920050665	CONLOVOHZKFFPS-UHFFFAOYSA-N	410.562	3.723	10	20	HHCD	
CCN1CCN(C[C@H](C)CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1	1318499191	IXEXPEXSXYRJIY-QGZVFWFLSA-N	416.997	3.751	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccccc2NS(C)(=O)=O)c1	1321081991	ROLDFSAIMSHQTA-UHFFFAOYSA-N	411.527	3.704	10	20	HHCD	
CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1F	1345174038	SJNRVEODGRXLOV-INIZCTEOSA-N	413.493	3.719	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCCOc1ccc(F)cc1	26161630	HVMGMPKXVIQMOS-UHFFFAOYSA-N	415.509	3.663	10	20	HHCD	
COc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)no1	145699000	GOTNMFIEQAGBFO-MRXNPFEDSA-N	407.470	3.678	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)ccc21	482011668	CIKIDBDSIFDITF-IRXDYDNUSA-N	415.578	3.522	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)C(C)C)cc1F	725815669	KNKFLSIOUJLMHR-UHFFFAOYSA-N	406.454	3.714	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccccc3NC(=O)NC(C)C)CC2)cc1	726560615	IVHCXDMUVGWYCC-UHFFFAOYSA-N	410.518	3.624	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cnc(C(C)(C)C)nc3)cc2F)C[C@H](C)O1	726845722	PPULWFLCVRRXQU-GJZGRUSLSA-N	415.513	3.849	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1F	731408984	GXZWRPKIQCOJDM-UHFFFAOYSA-N	424.476	3.890	10	20	HHCD	
CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	733120250	CIPJICDRFXUFNH-HNNXBMFYSA-N	410.967	3.572	10	20	HHCD	
O=C(/C=C/c1ccc(I)o1)NCCCSc1nccs1	733973534	OISULAFFIZIUEA-HWKANZROSA-N	420.297	3.653	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(Cl)ccc2I)c1	734017589	PITANCWOXGXVFL-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3nncn3Cc3ccccc3)c2C)cc1	735483284	SBQLKYRRGFOFIC-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
O=C(c1cccc(Nc2ncccn2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735520328	YAWYGHTXSWODHT-FQEVSTJZSA-N	404.470	3.747	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cc(F)ccc2Oc2ccccc2)c1O	737284435	MIJDPXFJEVUBCI-UHFFFAOYSA-N	410.401	3.587	10	20	HHCD	
Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	741736235	OVUUAGRXFCWLEH-KRWDZBQOSA-N	401.938	3.944	10	20	HHCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC	743870222	LZIZGOCXPYCEHS-SJORKVTESA-N	400.519	3.887	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc([N+](=O)[O-])ccc1F	744372796	MWZVMKKGLZFIML-GFCCVEGCSA-N	409.364	3.734	10	20	HHCD	
Cc1nnc(-c2ccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)o1	747095187	GJXWEPHBASROBL-UHFFFAOYSA-N	421.501	3.575	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCCc3sccc3C)cc2F)CC1	747870176	PSZQOUVWWGNHRD-UHFFFAOYSA-N	403.567	3.977	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)on4)c3C)NC2=S)c1	747977105	JKNNIYKEBGJTBJ-VCHYOVAHSA-N	408.483	3.661	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(O[C@@H]4CCOC4)CC3)c2C)cc1F	748831921	AFYOXCTWXUVOSN-OAQYLSRUSA-N	414.521	3.994	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CCC(C)(C)C(=O)NCc2ccc(N(C)C)cc2)cc1	749319359	YIXXEKRWGUWDJD-UHFFFAOYSA-N	424.589	3.558	10	20	HHCD	
C[C@H]1C(=O)Nc2cc(C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2N1C	750243089	WUJLHNWBHCFCSW-HNNXBMFYSA-N	405.454	3.605	10	20	HHCD	
COC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1ccc(N(C)C)cc1C	751106762	BFMCRBDTYNXOAC-UHFFFAOYSA-N	418.540	3.541	10	20	HHCD	
Cc1cnc2c(S(=O)(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cccc2c1	751137381	QPQLXYFAEWWPEJ-IBGZPJMESA-N	412.511	3.619	10	20	HHCD	
CC(C)n1c(S)nnc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	755373911	HCJJQXOJJOCTKA-UHFFFAOYSA-N	423.502	3.818	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1cc(Br)c(F)cc1O	756480574	SCYOUWILYAJJOX-ZDUSSCGKSA-N	409.299	3.993	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	756721000	GQZFBWLZDNGXAI-GJZGRUSLSA-N	409.490	3.884	10	20	HHCD	
C[C@@H](c1ccccc1)N(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1O	757284663	FREGPSBMJWPIOA-SFHVURJKSA-N	415.493	3.941	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cn(C)c(Cl)n2)nc1-c1cccc(Cl)c1	764526972	LPAUUFXSBFKGHY-UHFFFAOYSA-N	403.316	3.960	10	20	HHCD	
CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1cccc(Br)c1O	764805219	JJIKDKVNRJQAIT-APPDUMDISA-N	411.271	3.869	10	20	HHCD	
O=[N+]([O-])c1ccccc1C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1	765285747	FUDLYUDVVNKVGO-QHCPKHFHSA-N	409.530	3.914	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(N2CCOC2=O)cc1	765287403	PTFDNNULOCVEFO-MRXNPFEDSA-N	413.493	3.594	10	20	HHCD	
Cc1ccc(N2CCC[C@H](NC(=O)NCc3cccc(Br)c3O)C2)cc1	765524151	AZCDAADICQGXEY-INIZCTEOSA-N	418.335	3.931	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H]3CCOC4(CCOCC4)C3)ccc21	765682816	ZINPLKQFBLLUHI-IBGZPJMESA-N	401.503	3.790	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(Br)c2O)nn1-c1ccc(F)cc1	765766760	BIIMUOWSMGYRII-UHFFFAOYSA-N	404.239	3.718	10	20	HHCD	
CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	765855503	FQXAMFZFZRGMOA-UHFFFAOYSA-N	413.493	3.858	10	20	HHCD	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc([C@@H]2CCCOC2)no1	771604511	ZRRFBQSLEKSNFF-HLVNSREUSA-N	421.569	3.859	10	20	HHCD	
Cc1[nH]ccc(=NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1Cl	771767659	DARFYRCJJKYDND-CHWSQXEVSA-N	406.889	3.540	10	20	HHCD	
O=C(Nc1cnn(C(F)F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	772480716	KFQQPBNUYXRHRZ-LLVKDONJSA-N	401.364	3.670	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	773618394	PVNTVYAQLQAQHL-KBXCAEBGSA-N	400.910	3.572	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(N3CCC(CN(C)C)CC3)cc2)c1O	774936689	DFCNIVUPVGRIBL-UHFFFAOYSA-N	414.506	3.699	10	20	HHCD	
C[C@H](NC(=O)CCn1c(S)nnc1-c1cccs1)c1ccc(N(C)C)cc1	776270832	VXQDKNLBNKTJHW-ZDUSSCGKSA-N	401.561	3.629	10	20	HHCD	
Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc(O)c2O)c2ccccc2)c([N+](=O)[O-])c1	776282067	MZMSYCLCNAUYRW-HXUWFJFHSA-N	422.393	3.851	10	20	HHCD	
CCNC(=O)COc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	776822148	OIPVTRQOXVAQJC-INIZCTEOSA-N	417.937	3.865	10	20	HHCD	
COc1cccc2[nH]cc(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c12	778673477	DIBZYLYDYYTDMW-NRFANRHFSA-N	421.541	3.993	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CN[C@@H](C)c2cc(Br)cc(C)c2O)c1	779003380	OSTRHQXXCPJTQI-SJCJKPOMSA-N	410.308	3.865	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1	786153171	SDEQGQBZRLINNZ-LBPRGKRZSA-N	400.470	3.537	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3ccsc3)cc2Cl)C1	787324111	GJHQTEFNVOQINF-AWEZNQCLSA-N	405.951	3.570	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(-c2ccco2)cc1F	787518888	RFGRGQGMZKTCIW-UHFFFAOYSA-N	405.476	3.779	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H]3CCc4ccc(Cl)nc43)CC2)cc1	788507174	ORLNWOWKJZFSKE-HXUWFJFHSA-N	400.954	3.533	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Br)cn1	794805330	WYFGJMCIEIOSEN-ZDUSSCGKSA-N	408.315	3.795	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCC(=O)NC(C)(C)C)cc2Cl)C1	799916971	PBGAAYBSIXVPGA-HNNXBMFYSA-N	408.974	3.680	10	20	HHCD	
CCOc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c1O	800540636	LIKFTXAMPYADMJ-LJQANCHMSA-N	413.518	3.980	10	20	HHCD	
C[C@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc2ccccc2c1O	800990391	RMJTZDXDVLHAJT-ZDUSSCGKSA-N	422.909	3.967	10	20	HHCD	
CCc1ccc2occ(C(=O)NCc3ccc(N4CCN(C(C)=O)CC4)cc3)c2c1	803161497	BVHVGOKSKPGGRG-UHFFFAOYSA-N	405.498	3.594	10	20	HHCD	
Cc1cc(C(=O)NCCn2cc(Br)cn2)c(C)n1-c1ccc(F)cc1	804695911	XGEQXZHKANFXJP-UHFFFAOYSA-N	405.271	3.622	10	20	HHCD	
C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)CC(=O)N2C	805063729	DSFHZNSRJZMJSH-SNVBAGLBSA-N	408.285	3.778	10	20	HHCD	
CN(C)C(=O)c1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1F	806338427	PXJNEQKOPFCHQH-UHFFFAOYSA-N	400.237	3.862	10	20	HHCD	
COc1cc(Cl)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1C	808899948	HVDPVDUDORVMQX-UHFFFAOYSA-N	407.873	3.954	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cn2ccc(Br)cc2n1	811454758	RFQBPRRHMOWQMI-UHFFFAOYSA-N	415.335	3.565	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cn(C2CCOCC2)nn1	813507524	MWPYTQAFKHICMZ-QGZVFWFLSA-N	406.486	3.739	10	20	HHCD	
CCS(=O)(=O)NCCSC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814773010	LKBUHBMFUQPZRC-NTEUORMPSA-N	412.583	3.544	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2cccc(C3CC3)n2)c(C)n1-c1ccccc1	815333132	XOSFJXQGWDKNHI-UHFFFAOYSA-N	402.498	3.664	10	20	HHCD	
CCOc1ccc(-c2nc(NS(=O)(=O)c3ncn(C)c3Cl)sc2C)cc1	914577166	JMMRUUCVHAFYNG-UHFFFAOYSA-N	412.924	3.705	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c(C)n1-c1ccccn1	914904677	BZADPOGPVWVJBF-QFBILLFUSA-N	405.498	3.954	10	20	HHCD	
COc1cc2cc(C(=O)NCc3ccc(N4CCCC4)cc3)[nH]c2c(OC)c1OC	915198945	XGQYDXQEAYOWKR-UHFFFAOYSA-N	409.486	3.724	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1	918433868	IMCIFBGDNFAFFS-UHFFFAOYSA-N	424.545	3.772	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cc(C(N)=O)ccc2F)cc1	919652639	BSXKYSYIMLHKTK-UHFFFAOYSA-N	410.449	3.818	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2Oc2cccnc2)cc1	919795399	PNNZQCGAMRXEIP-UHFFFAOYSA-N	424.888	3.848	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2cccs2)C(C)C)c1	919954189	KFOVZINVCMZFQN-UHFFFAOYSA-N	402.560	3.899	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Oc2ccccc2)cc1	1323846050	PHLUFUKLBVHPLC-FQEVSTJZSA-N	421.449	3.794	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)NCCC(=O)O)cc3)c2C)c1	237822739	FMHBBTDPIJGEMT-UHFFFAOYSA-N	419.481	3.859	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4[C@H](CCCN4C4CC4)C3)ccc21	448195384	BYLKTSGSEKFEDK-OFNKIYASSA-N	409.574	3.993	10	20	HHCD	
Cc1c(CNC(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)n(C)c2ccccc12	472226355	WVCRCSSLJOOXEQ-FQEVSTJZSA-N	422.573	3.811	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)SC2=S)c1	726625932	QOJBWXTWLRUOLT-PXNMLYILSA-N	418.452	3.723	10	20	HHCD	
CCCCOc1ncccc1CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726707908	HWKHEEVRULGIKG-UHFFFAOYSA-N	412.534	3.737	10	20	HHCD	
Cn1c(CN(Cc2cccs2)c2ccc3c(c2)OCCO3)nc2ccccc2c1=O	727141119	FSNBIIXKOQOKOJ-UHFFFAOYSA-N	419.506	3.973	10	20	HHCD	
COc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1	727246007	FXBBVYCIQMIBLD-UHFFFAOYSA-N	415.496	3.504	10	20	HHCD	
CCCN(Cc1ccccc1O)Cc1nnnn1-c1ccccc1Br	727830882	SXVONCXPZIELJQ-UHFFFAOYSA-N	402.296	3.543	10	20	HHCD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	728311038	XJMIQDPJUNJPNW-SVFBPWRDSA-N	400.567	3.546	10	20	HHCD	
Cc1cc(CC(=O)NCCN(C)CC(F)(F)F)c(C)n1-c1ccc(Cl)cc1	732641107	BDJPRJXUCBCPHY-UHFFFAOYSA-N	401.860	3.900	10	20	HHCD	
COc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)c(C)nn1C	732852588	QBVVZJWPPPCWMS-UHFFFAOYSA-N	413.449	3.632	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1-c1ccc(F)cc1	735822023	MDSNAFKGEODVAZ-QGZVFWFLSA-N	423.448	3.863	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CCC4(CCCC4)CC3)cc2F)C[C@@H](C)O1	738338456	CXSCYKTZJUVCCB-KDURUIRLSA-N	417.569	3.712	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC1CCN(Cc2ccc(F)cc2)CC1	740905600	OIQUKHSPDKNQDJ-UHFFFAOYSA-N	408.521	3.666	10	20	HHCD	
Cc1nsc(N2CCN(C(=O)c3cc(C)n(-c4cccc(Cl)c4)c3C)CC2)n1	742191829	LJHZUARFHXBTFD-UHFFFAOYSA-N	415.950	3.870	10	20	HHCD	
Cc1nnc(-c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2)o1	742246287	UHVVKYXRAUYBFN-GJZGRUSLSA-N	424.476	3.728	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2ccccc2oc1=O	742798440	NPLQMGIGQZDANG-OAHLLOKOSA-N	414.408	3.793	10	20	HHCD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742807301	ZKUIFRHCKIYFHS-MISVVRGBSA-N	417.412	3.995	10	20	HHCD	
CCO[C@@H](C)c1noc(CN2CCN(Cc3cc(C)cc(C(C)(C)C)c3O)CC2)n1	743376476	HFELVSQYDVUYML-KRWDZBQOSA-N	416.566	3.796	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)c1	743702642	FSKNSOLHKRGSEN-OLZOCXBDSA-N	412.446	3.581	10	20	HHCD	
Cc1ccc(-c2nnc(S)n2CCC(=O)NCc2c(O)ccc3c2CCCC3)cc1	743716821	LZYRFSQZFXZYJC-UHFFFAOYSA-N	422.554	3.833	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(OCC(F)F)cc2)C2CC2)cc1	748980377	MIDAARPZZFPFJK-UHFFFAOYSA-N	417.456	3.526	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(Br)c[nH]2)cc1	750684384	MCPCOCRBTMOULM-QGZVFWFLSA-N	406.324	3.665	10	20	HHCD	
CN1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2ccccc21	750794179	ISEFLWUVMSZWED-UYAOXDASSA-N	413.949	3.750	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1=NN(Cc2ccccc2)C(=O)CC1	751299373	LJJNPDAJLRCVGT-UHFFFAOYSA-N	424.464	3.513	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(c2ccc(F)cc2)CC1	752894077	OBGXECFQIZKXIB-UHFFFAOYSA-N	415.484	3.891	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(N4CCCCCC4)nc3)CC2)cc1F	753737650	ALMARMYFLCYZNG-UHFFFAOYSA-N	412.509	3.572	10	20	HHCD	
CC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1	754500517	XFQHIBDYWDTVDM-AWEZNQCLSA-N	400.470	3.585	10	20	HHCD	
C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccc(S(=O)(=O)N(C)C)cc1	756449952	PHMLKBHIEOWEJV-HZPDHXFCSA-N	402.560	3.933	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(N[C@H](C)c3ccccc3)CCOCC2)c1	756595478	VUDQGLFEWIBHSY-QZTJIDSGSA-N	412.530	3.729	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1	756838628	OBHNHDOVFUPZHV-VOJFVSQTSA-N	417.811	3.933	10	20	HHCD	
CCCC[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCC1	757182682	QOKGJHYCROACJI-FPOVZHCZSA-N	400.567	3.546	10	20	HHCD	
O=C(Nc1cncc(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	757913450	VDIBWDKGBIIEBN-INIZCTEOSA-N	406.280	3.763	10	20	HHCD	
CCCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1	759476676	XSFAUWYOSIALQB-HXUWFJFHSA-N	414.531	3.940	10	20	HHCD	
CCC[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1	760099685	ICBFTVDPLGLDSI-QXPQOBGOSA-N	424.613	3.757	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1(c2ccc(F)cc2F)CCC1	763009950	OFNJCJWWFVDHJO-UHFFFAOYSA-N	401.457	3.680	10	20	HHCD	
Cc1cnc(C2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)s1	763221105	SJNCEWMYNAKOKM-QGZVFWFLSA-N	414.575	3.938	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ncsc3C(F)(F)F)cc2F)C[C@@H](C)O1	764381840	IWVFYLFIWLPFEJ-PHIMTYICSA-N	417.428	3.845	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3cnn(-c4ccccc4)c3)CC2)cc1	764675503	BZKAVWJXVVJKNI-OAQYLSRUSA-N	419.573	3.744	10	20	HHCD	
COC1CCN(C(C)(C)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1	765861903	ULPYNFQDEAMRLH-QGZVFWFLSA-N	410.002	3.717	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1-c1ncco1	766323965	BWQIYAQXYIRIFR-UHFFFAOYSA-N	404.470	3.505	10	20	HHCD	
COc1cc(Br)cc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O	768249305	QUBKSPUMHKGFCD-AWEZNQCLSA-N	415.328	3.605	10	20	HHCD	
COc1ccc(-c2noc([C@H](C)N3CCN(c4ccc(OC)c(F)c4)CC3)n2)cc1	768529624	AHVMLGKDMPEJFI-HNNXBMFYSA-N	412.465	3.776	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cnc(Cl)c2ccccc12	769183340	LTOCSVPTMAEUBZ-UHFFFAOYSA-N	411.889	3.770	10	20	HHCD	
CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1	769209911	ONEFNULIAPVNIJ-KGLIPLIRSA-N	413.356	3.680	10	20	HHCD	
O=C(NC[C@@H]1CCCN(Cc2cccc(Br)c2O)C1)c1ccccc1	769245701	USHZCBYHGSNAKJ-HNNXBMFYSA-N	403.320	3.797	10	20	HHCD	
COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1	769904683	CLFYSQFUROWYIW-UHFFFAOYSA-N	419.481	3.558	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)[C@H](C)CCSC)c([N+](=O)[O-])c1Br	771144002	MYQUAIXBZFZYMR-MRVPVSSYSA-N	408.274	3.852	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1Cl	771525370	IJRAIIBOHPROMG-UHFFFAOYSA-N	417.893	3.596	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\c1ccc(OC)c(O)c1	773337079	GUKXXOUQFHOZNO-UITAMQMPSA-N	406.276	3.931	10	20	HHCD	
Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773750891	JSOGFJOPORIIIJ-LBPRGKRZSA-N	413.499	3.751	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1	775376449	WWQIKMJHJCFMCR-ZBFHGGJFSA-N	408.502	3.881	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccc(N(C)C)cc1	775635533	AIBGJKRJUQHGDJ-LBPRGKRZSA-N	410.927	3.660	10	20	HHCD	
CN1CCC[C@H]2CN(Cc3cc(Br)cc(Br)c3O)CC[C@@H]21	775741804	QRDWIFANZNTKBI-NHYWBVRUSA-N	418.173	3.833	10	20	HHCD	
COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)N1CCCC1	776102930	PORORYQHHCVZJQ-GCJKJVERSA-N	410.562	3.959	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1ccc(Cl)s1	777828095	HSXGKWSBCJXOIW-UHFFFAOYSA-N	402.299	3.895	10	20	HHCD	
CCOC(=O)N1CCC([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	779068390	QQAHLSSCIIDIOS-IRXDYDNUSA-N	407.530	3.570	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O	781137984	LYPCYIWGQLAVPC-AREMUKBSSA-N	417.553	3.709	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(OC)c(Br)n2)cc1	781588807	ZNCJAPUFMHRBMA-UHFFFAOYSA-N	406.324	3.971	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1F	782719043	RSSZMBCPLSOEAY-CQSZACIVSA-N	413.419	3.654	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)c(F)c3)cc2F)C[C@H](C)O1	786709365	HTKALWGDFZSQTF-GJZGRUSLSA-N	421.463	3.759	10	20	HHCD	
COc1ccccc1[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788935778	FGKHBYCXNMCNKF-JOCHJYFZSA-N	421.541	3.665	10	20	HHCD	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC2(CCOCC2)O1	790994017	PKHRFWDIBCTJAR-KRWDZBQOSA-N	422.485	3.837	10	20	HHCD	
CN(C)c1ccc(CNC2CCN(C(=O)c3ccncc3)CC2)c(C(F)(F)F)c1	792949757	ZNVHVRSSYSJKKA-UHFFFAOYSA-N	406.452	3.561	10	20	HHCD	
CC[C@@H](NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(C)cc1O	794790954	GMILGMYSRBKRAH-OAQYLSRUSA-N	402.560	3.903	10	20	HHCD	
CN1C(=O)/C(=C/c2cn(C)nc2-c2cccs2)c2cc(Br)cnc21	794877696	LBHPKMRDRDZIDB-AWNIVKPZSA-N	401.289	3.823	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccc([S@@](C)=O)cc2)cc1	797824178	CSPDYDOUJOLWSZ-GDLZYMKVSA-N	410.539	3.855	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2cncc(Br)c2)CC1	798934529	CURSKPOVHZBOCA-UHFFFAOYSA-N	402.336	3.990	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C(C)(C)COCc3ccccc3)CC2)cc1F	800512444	LYGAQWHZVNCGJQ-UHFFFAOYSA-N	400.494	3.726	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cccc3c2OCO3)n1	800926289	NHQSNHNSVPBKAL-UHFFFAOYSA-N	404.469	3.657	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCOC2)cc1	802762930	ORKFFQAOCOXRAG-HXUWFJFHSA-N	420.561	3.859	10	20	HHCD	
Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1	807096936	XPSPPXKQLFMVDZ-DHIUTWEWSA-N	407.558	3.780	10	20	HHCD	
Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1	807104040	ZIJDRRFMAFGURQ-UHFFFAOYSA-N	419.525	3.808	10	20	HHCD	
CCOc1ccc([C@H]2CCCN2C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	807676527	HFXIWSBPKYMZGP-VGOFRKELSA-N	409.530	3.692	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1F)C1CCCC1	808863371	HMDKAHQTBMNFSR-JOCHJYFZSA-N	411.521	3.898	10	20	HHCD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1	812716923	FBAUNKWFVQGKQF-YLJYHZDGSA-N	421.557	3.788	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@@H]3OCCc4sccc43)CC2)cc1	813865940	BEGFZAXLXDHOEG-IERDGZPVSA-N	415.559	3.681	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc(N2CCCC2=O)cc1	914505385	CTDSMBSZFDGSCX-UHFFFAOYSA-N	409.530	3.695	10	20	HHCD	
O=C(Nc1cc2c(cc1Cl)OCO2)N(Cc1ccccc1O)C[C@H]1CCCO1	916673455	QWZZWAPFVAOLQZ-CQSZACIVSA-N	404.850	3.987	10	20	HHCD	
CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1	917778138	MKJGIQSTNZLTBO-UHFFFAOYSA-N	404.353	3.786	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(Cl)nc4ccccc34)cc2)C1	917832183	MNMOTWXKQJJPFC-MRXNPFEDSA-N	422.916	3.520	10	20	HHCD	
CNC(=O)c1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1Cl	918038449	QDHTXJNBLLNQNG-UHFFFAOYSA-N	400.910	3.962	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cc2F)C[C@@H](C)O1	918140742	PHSMAFAJBWNITG-IAGOWNOFSA-N	424.520	3.955	10	20	HHCD	
Cc1cc(OC(C)C)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	918457477	UTPWJMZUADRKSE-UHFFFAOYSA-N	409.530	3.978	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)c3ccoc3)c2C)c1	919484311	DKHCVCGWOZRMEW-MRXNPFEDSA-N	408.454	3.540	10	20	HHCD	
CN(C)C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(Cl)cc1	1321288820	HCHVHXLZFOAYRL-NRFANRHFSA-N	404.961	3.623	10	20	HHCD	
CCC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	116581859	GIVZADNJLSRZEQ-JOCHJYFZSA-N	409.530	3.923	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1	195742503	PADOGPVLLNVBNG-UHFFFAOYSA-N	408.590	3.993	10	20	HHCD	
Cc1ccc(SCCNC(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1	261368656	RMIOONDSHSMYEO-HXUWFJFHSA-N	414.571	3.590	10	20	HHCD	
Cc1c(N2CC=C(c3c[nH]c4ncccc34)CC2)nn2c(C(F)(F)F)nnc2c1C	434951059	NXGBBFHHOIQFAG-UHFFFAOYSA-N	413.407	3.930	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](N4CCCC4)[C@H](SC)C3)ccc21	542769323	RFHBXMMYBYGNGP-FCHUYYIVSA-N	415.603	3.556	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(OCC2CCOCC2)cc1	542954612	CWCYJRRRWOJCLJ-UHFFFAOYSA-N	411.502	3.989	10	20	HHCD	
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccc2c(c1)CCCN2C	726250380	WFWPCFGCBVEDIL-QHCPKHFHSA-N	421.589	3.660	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC(C)(C)c3ccccc3OC)CC2)cc1	726613018	CHKQUHZGUWMKEO-UHFFFAOYSA-N	411.546	3.950	10	20	HHCD	
Cn1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)n1	727246323	LGQKSPQLOGMCBX-UHFFFAOYSA-N	424.507	3.575	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)/C=C\c3ccccc3Cl)CC2)cc1	727458276	YAKBCARQIVRPHW-QINSGFPZSA-N	406.935	3.908	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)cn1	728476097	JAQNYTQZGPGJGN-LCYFTJDESA-N	407.517	3.902	10	20	HHCD	
COc1ccc(C2(CNC(=O)N[C@H](C)c3cc(OC)ccc3O)CCOCC2)cc1	728950532	RSIKZRYEZXPNNA-MRXNPFEDSA-N	414.502	3.518	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c1	729048710	HTJKQLUEVPMSKA-HNNXBMFYSA-N	420.469	3.609	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)cc2I)c1	729280972	XYAHONNBZJTFOJ-SECBINFHSA-N	415.202	3.636	10	20	HHCD	
CC[C@H](CNC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccccc1	730112450	CXIPVXQSDNMVHB-HXUWFJFHSA-N	412.553	3.961	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C(C)(C)Oc3ccc(F)cc3)cc2F)CC1	730194588	MKOIVOXBWWMWHC-UHFFFAOYSA-N	417.500	3.581	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	733100465	JZDDWNSYPKKHNJ-GJZGRUSLSA-N	406.885	3.960	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)CC2)cc1	735686617	FZJXYWOQFZXRIP-DYESRHJHSA-N	403.567	3.805	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)c2C)c1	739808689	CAOAGKOPRLFDCI-IBGZPJMESA-N	415.493	3.860	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N(C)C)cc2C)nnn1-c1ccc(OC(C)C)cc1	741189593	KDJBOVQADRKWMA-UHFFFAOYSA-N	421.545	3.921	10	20	HHCD	
COc1cccc(CNC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c1O	745452653	XQVWOZCAESRPKL-UHFFFAOYSA-N	405.454	3.653	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)Cc1ccco1	746109123	JZYSTKWDMKIBDV-ROUUACIJSA-N	417.525	3.559	10	20	HHCD	
Cc1cc(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)c(C)n1-c1ccccn1	746875213	BYBHEXRHSXEIAS-UHFFFAOYSA-N	405.498	3.968	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OC[C@@H]3CCCN3c3ccc(C)nn3)ccc21	748860297	RMZMTIWZJKFWAJ-FQEVSTJZSA-N	422.529	3.829	10	20	HHCD	
Cc1cnc([C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	750275904	HGAPGGGLVOWYKA-GUTXKFCHSA-N	406.527	3.765	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc2nc(C3CC3)oc2c1	751012401	VQDSQGZGSJQADD-UHFFFAOYSA-N	404.470	3.560	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCC1(CN2CCOCC2)CCCCC1	751810944	XAQLDGISBOFRMY-UHFFFAOYSA-N	403.567	3.597	10	20	HHCD	
C[C@@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1F	751859914	CEJOEHLGJCJODX-HNNXBMFYSA-N	404.457	3.726	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)C)c2C)c1	752331769	AWIXEDGIFXGMRN-SFHVURJKSA-N	419.489	3.698	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)cc1F	756065691	IYOIPYJIIDQQMO-JMGYQRAPSA-N	405.539	3.970	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(Br)ccc1O	756544835	WDQMYYMLFVSNPP-PWSUYJOCSA-N	402.235	3.523	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c1	756589206	KEIVNRRUUSIQAS-DZGCQCFKSA-N	406.429	3.710	10	20	HHCD	
COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H](C)c1cc(F)ccc1O)CC2	756709494	XMIDOBBFSNEFDZ-OAHLLOKOSA-N	416.493	3.564	10	20	HHCD	
C[C@@H](N[C@H]1CCc2n[nH]cc2C1)c1cc(Br)cc(Br)c1O	756760301	NPTIPDOUFGDXEN-KCJUWKMLSA-N	415.129	3.848	10	20	HHCD	
COc1ccc(OC(F)F)c(CNC(=O)NCc2ccc(N3CCCC3)cc2)c1	756924618	HZVWHGXVEAAQON-UHFFFAOYSA-N	405.445	3.896	10	20	HHCD	
COC(C)(C)CN(C)Cc1c(O)ccc2ccc(O)c(CN(C)CC(C)(C)OC)c12	758405138	MWDKGUAIJPXRQM-UHFFFAOYSA-N	418.578	3.965	10	20	HHCD	
COc1cccc([C@H](C)N2CCN(C(=O)NCCCSc3nccs3)CC2)c1	759590474	KPRXHRLPOVFTSC-INIZCTEOSA-N	420.604	3.722	10	20	HHCD	
COc1cc(N2CCN(CCOc3ccc(SC)cc3)CC2)cc(OC)c1OC	759877311	GBVJOJRAQNCPQA-UHFFFAOYSA-N	418.559	3.635	10	20	HHCD	
CCOC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C1CCOCC1	759948792	MXBDWQGWRVAETC-FQEVSTJZSA-N	418.921	3.836	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	760318816	CPICLKMCOXHRMI-GFCCVEGCSA-N	424.419	3.624	10	20	HHCD	
CCN(CC)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1	760945297	WHFBWFTXIUYVKX-LJQANCHMSA-N	415.921	3.893	10	20	HHCD	
C[C@@H](CCCOc1ccccc1C(N)=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	768686129	ICXAHEPOTXUBTK-OALUTQOASA-N	411.546	3.520	10	20	HHCD	
Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1	769534233	TWDOUUHMADNVCS-HXUWFJFHSA-N	408.521	3.985	10	20	HHCD	
CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H](C)c1cc2ccccc2o1	769721120	YITKSNXTPJXMJT-CYBMUJFWSA-N	402.472	3.733	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc2c(c1)COC2	770415584	SAKPZPSAOFJRAT-UHFFFAOYSA-N	405.292	3.917	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1C	771291356	YPRGFYGAJVYMAW-UHFFFAOYSA-N	401.470	3.539	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2cccnc2)c(C)n1-c1cccc(Br)c1	772504438	LXPRMBIQCCGDSM-IBGZPJMESA-N	414.303	3.715	10	20	HHCD	
CC[C@H](O)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	772597749	CAPOIZUVCKXWFL-CVDCTZTESA-N	411.546	3.567	10	20	HHCD	
Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773856719	KHTZRTDLLITKAH-ZDUSSCGKSA-N	404.308	3.639	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1O	774841759	XHCJVWJVKKJJKN-HOTGVXAUSA-N	413.257	3.706	10	20	HHCD	
CCN(CC)[C@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1	775648341	SJHCGQWWOFFUQK-ZDUSSCGKSA-N	406.162	3.833	10	20	HHCD	
C[C@@](O)(CNCc1cc(Br)cc(Br)c1O)c1ccsc1	776208419	DDNVXUZZPKFJTD-CQSZACIVSA-N	421.154	3.976	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)c1ccc(N(C)C)cc1	776243457	BUFDSSJIKCGTTC-LIRRHRJNSA-N	420.351	3.999	10	20	HHCD	
Cc1cccc(-c2noc(SCC(=O)NCCCSc3nccs3)n2)c1	777802323	QFVJZBZPJMNHSF-UHFFFAOYSA-N	406.558	3.892	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC3(CC2)OCCc2ccsc23)cc1F	779341501	ILKILLZAMRCWRT-UHFFFAOYSA-N	403.523	3.727	10	20	HHCD	
CSc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cn1	782423935	QRADWEVLHHNBEA-UHFFFAOYSA-N	424.526	3.630	10	20	HHCD	
CCCCn1nccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1	783487156	VBXAPRQBQYTOMN-QGZVFWFLSA-N	405.502	3.998	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1ccccc1Cl	786693352	YHTVOHPMFPCFEN-UHFFFAOYSA-N	401.938	3.502	10	20	HHCD	
CCc1ccccc1NC(=O)CN1CCN(Cc2c(O)ccc(Cl)c2F)CC1	792157375	VPPGFYCKHQYUMS-UHFFFAOYSA-N	405.901	3.503	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CO4)cc2Cl)C1	800047808	QDBGPILPJSMZAU-CQSZACIVSA-N	413.905	3.837	10	20	HHCD	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	807287636	LMNFKIYNEUHBCD-ZEQRLZLVSA-N	417.553	3.782	10	20	HHCD	
CN(C)c1ccc(Cl)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807511377	LVMHIEORANZOJU-UHFFFAOYSA-N	416.692	3.673	10	20	HHCD	
COc1ccccc1[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807673028	LXMGAZSRRYCPLL-LAUBAEHRSA-N	409.530	3.692	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(C(C)C)c1	807800656	LIRKNAKMWQAGDX-GOSISDBHSA-N	402.560	3.772	10	20	HHCD	
CC[C@@H](NCC1CCN(S(=O)(=O)CC)CC1)c1ccc(C(F)(F)F)cc1O	810237430	SFEBYRSPHRWOSP-MRXNPFEDSA-N	408.486	3.513	10	20	HHCD	
CCOc1cc(Br)c(F)cc1NC(=O)NCCc1ccc(O)c(O)c1	810340157	ZXIHGMPGFQDKDW-UHFFFAOYSA-N	413.243	3.762	10	20	HHCD	
C[C@@H](Sc1nc2c([nH]1)CCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	813582669	UJIVOZJBRSULEX-GFCCVEGCSA-N	417.490	3.793	10	20	HHCD	
O=C1/C(=C\c2cc(Br)c3c(c2)OCCO3)SC(=S)N1C1CCC1	814185631	LTFDFVKDDGHHAS-MDWZMJQESA-N	412.330	3.974	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)oc1C	814290342	URBYEYNTHHXIOI-CXUHLZMHSA-N	403.481	3.785	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c(C)n1-c1ccccn1	914849723	SIWIDTIWHLUIHS-NRFANRHFSA-N	403.461	3.881	10	20	HHCD	
CCNC(=O)COc1ccc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1	915343022	GBUZUARYSINRJC-UHFFFAOYSA-N	412.534	3.712	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(F)c(F)c2)cc1	915666418	CNSYHXPWAHJCMB-IBGZPJMESA-N	404.457	3.617	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1	916109906	MIKNPOXOXVPDNC-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
O=C(NCc1cccc(Cn2ccnc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916405952	PJGNLHLVXWJHSN-QFIPXVFZSA-N	420.513	3.528	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC	917657870	CIZJBLICNFABPT-UHFFFAOYSA-N	410.511	3.508	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCn3ccccc3=O)c2C)c1	919253806	CXZMEOPNCKRNLU-UHFFFAOYSA-N	424.522	3.794	10	20	HHCD	
Cc1ccc(O)c(CNCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c1	237764005	DHKHBPKOYMCNRN-UHFFFAOYSA-N	414.502	3.608	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2F)n(C)c2ccccc12	472802798	CIRAXMWBDLTNLB-UHFFFAOYSA-N	407.367	3.900	10	20	HHCD	
CN1CCN([C@@H](CNCc2cc(Cl)cc(Cl)c2O)c2cccs2)CC1	725841377	CXVOZAXRVXBXJU-INIZCTEOSA-N	400.375	3.839	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCc2ccc(O)cc2C1	726721259	CDCJFDJSCRZQLF-UHFFFAOYSA-N	417.456	3.730	10	20	HHCD	
O=C1/C(=C/c2cnc(-c3ccccc3)nc2)SC(=S)N1CCc1cccnc1	727863891	LKWJVNCZZAESLW-WQRHYEAKSA-N	404.520	3.983	10	20	HHCD	
COCCCN1Cc2cccc(NC(=S)NCCCN(C)c3ccccc3)c2C1	727977945	CQBPTLCHDLTUDR-UHFFFAOYSA-N	412.603	3.852	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1	730123108	FGCNOMXVMHSVDK-OAHLLOKOSA-N	418.335	3.846	10	20	HHCD	
COCCc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731039071	RRMOMXIJDKGYRV-UHFFFAOYSA-N	402.560	3.590	10	20	HHCD	
Cc1nccn1CCNC(=O)c1cc(C)n(-c2ccccc2Br)c1C	733142348	BFEXRXFRQGNMDQ-UHFFFAOYSA-N	401.308	3.792	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)cc1F	734862326	FRLDCKYWDZCUHD-JOCHJYFZSA-N	417.525	3.992	10	20	HHCD	
O=C(c1cccc(Nc2ncccn2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	735520329	YAWYGHTXSWODHT-HXUWFJFHSA-N	404.470	3.747	10	20	HHCD	
Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)NCc1ccc(N(C)C)cc1	736650901	JMOGTMADRYDWSE-UHFFFAOYSA-N	411.506	3.874	10	20	HHCD	
Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	742798263	LFRZXFTVAKTQAR-IAGOWNOFSA-N	406.477	3.838	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1nnn(-c2ccccc2)c1C	743808779	DSEGCHXVAIYIGN-UHFFFAOYSA-N	415.291	3.706	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccccc3OCCN(C)C)c2C)cc1	746854629	AHUNBEYGCFMPCW-UHFFFAOYSA-N	421.541	3.973	10	20	HHCD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C1\SC(N2CCOCC2)=NC1=O	747148189	PJFNSWFZURDCRM-GDNBJRDFSA-N	423.325	3.790	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cn(C)nc3C3CCCCC3)CC2)cc1F	753737835	DZJYHZNZSDAGNE-UHFFFAOYSA-N	400.498	3.578	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	756612246	YQIBSIFWNJJERI-SJKOYZFVSA-N	421.400	3.748	10	20	HHCD	
Cc1cc(C(=O)NCCCO[C@H]2CCOC2)c(C)n1-c1ccccc1Br	756991491	YTHWISNODPXCPB-INIZCTEOSA-N	421.335	3.782	10	20	HHCD	
CO[C@](C)(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1F	758092961	LLWKBFWFOOCIRW-PXAQALGRSA-N	418.484	3.756	10	20	HHCD	
O=C(COC(=O)c1ccc2nnc(O)n2c1)Nc1ccc(N=Nc2ccccc2)cc1	763099148	LKYYXQPBOFJMKY-UHFFFAOYSA-N	416.397	3.646	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)c(C)n1-c1ccccn1	763139102	MWDDABBRFOGFAP-UHFFFAOYSA-N	404.514	3.698	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	763627626	QUPHDMGAHXPTOD-UHFFFAOYSA-N	408.468	3.862	10	20	HHCD	
CC(C)n1cccc1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	763884390	OSHGTTXPDYZZHW-UHFFFAOYSA-N	416.433	3.640	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3cc(OC)ccc3OC)cc2F)CC1	765853037	OXFRFXAUYKVVTQ-QGZVFWFLSA-N	401.526	3.836	10	20	HHCD	
COc1ccc(CNCc2ccc(N3CCOCC3)cc2)c(OCc2cccnc2)c1	767683468	XCAJMXTXQCDFQW-UHFFFAOYSA-N	419.525	3.796	10	20	HHCD	
Cc1cccc(C(=O)N2CCCN(Cc3cccc(Br)c3O)CC2)c1	768252041	UIIRCVYQRYSOHD-UHFFFAOYSA-N	403.320	3.811	10	20	HHCD	
C[C@@H](NCc1nc(COc2ccccc2)n[nH]1)c1ccc(Br)cc1O	769989628	VTVSDAAULXPQAM-GFCCVEGCSA-N	403.280	3.703	10	20	HHCD	
CCOc1cccc(CN(C)[C@@H](C(=O)OC)c2cccc(Br)c2)c1O	770379235	IZCRYMDQZNKSGW-QGZVFWFLSA-N	408.292	3.900	10	20	HHCD	
COc1ccc(NC(=O)C[C@@H](C)NCc2cccc(Br)c2O)c(OC)c1	775147487	TWRCDTYBSVHWJU-GFCCVEGCSA-N	423.307	3.679	10	20	HHCD	
CCO[C@@H]1C[C@@H](NCc2cc(Br)cc(OC)c2O)[C@H]1Oc1ccccc1	776008529	TUJDUADOJJEEOW-YVWKXTFCSA-N	422.319	3.878	10	20	HHCD	
COCc1cccc(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	777696289	HOFWKWFUEUXVGS-GOSISDBHSA-N	404.457	3.762	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	779024308	ZTFJRLPXASSVTP-XLIONFOSSA-N	421.557	3.570	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	779344316	WBPGQZWAJPAMON-VQIMIIECSA-N	416.566	3.514	10	20	HHCD	
CCc1cccnc1[C@@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	780717178	HULBTWQAKNVFDR-GOSISDBHSA-N	420.536	3.751	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1C1CCCCC1	781338415	UIDZTBCSLJAYKH-UHFFFAOYSA-N	410.562	3.835	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cc(Cl)ccc3OC)CC2)cc1	782160075	IOIMODHYQCERNT-UHFFFAOYSA-N	403.954	3.659	10	20	HHCD	
CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	782940645	VIWMOHFXMGAAEE-INIZCTEOSA-N	405.436	3.563	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(Cl)s2)cc1	788745009	BJKNSLXZGMIFSR-UHFFFAOYSA-N	408.954	3.662	10	20	HHCD	
CCc1ccc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCO2)cc1	790249628	QUUGFCCCHHKAQF-DVECYGJZSA-N	423.557	3.930	10	20	HHCD	
CCOc1c(Cl)cccc1CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	790697371	ZYRNNQOSSDAPHU-UHFFFAOYSA-N	420.912	3.698	10	20	HHCD	
CN(C)CCn1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1-c1ccccc1	791207424	AMKUWKNAAXQODE-UHFFFAOYSA-N	417.557	3.642	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1	791248437	PKNPZTRRTGFVOO-XMMPIXPASA-N	424.541	3.996	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@@H](c1ccccc1)C1CCCC1	793635124	RNRFOVWPGNNXON-KRWDZBQOSA-N	403.573	3.789	10	20	HHCD	
Cc1ccccc1[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C	803301110	ZCYPPDFOUZZUNR-WMZHIEFXSA-N	423.557	3.522	10	20	HHCD	
COc1cc(C)ccc1CNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803677264	KRCMLEUSORPFPR-UHFFFAOYSA-N	423.557	3.705	10	20	HHCD	
COc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803688018	UHZWMOAACGROAZ-NRFANRHFSA-N	423.557	3.597	10	20	HHCD	
CC[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1O	806133245	KCTPAGBZBGCCDY-BLLLJJGKSA-N	414.285	3.908	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2ccco2)cs1	806998222	FVOMLGSYRAQGSJ-UHFFFAOYSA-N	412.515	3.845	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc(-c2ccco2)cc1F)c1ccc(N(C)C)cc1	807678286	WCCCCTCMBZWAFS-OAHLLOKOSA-N	409.461	3.645	10	20	HHCD	
CCOC(=O)c1n[nH]c(-c2cccc(CNCc3cc(Cl)cc(Cl)c3O)c2)n1	809762515	QEZXNAIXWDLKHN-UHFFFAOYSA-N	421.284	3.951	10	20	HHCD	
C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)c1ccccc1	812024759	RQLORGSTNYSCDT-QRWLVFNGSA-N	419.472	3.678	10	20	HHCD	
Cc1cnc(Br)c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	813001389	DCCKSFNNDLMTPW-CQSZACIVSA-N	419.323	3.872	10	20	HHCD	
O=S(=O)(c1ccc(Cl)c2nonc12)N(Cc1cscn1)c1ccccc1	814381809	GWDBYVMQCMRPSF-UHFFFAOYSA-N	406.876	3.728	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@](C)(O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	815062651	NAMPNLROQHPYLX-DOQJBMMISA-N	420.912	3.617	10	20	HHCD	
CC(C)[C@H]1N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC12CCC2	816798767	VCHKVJCRLFTHBE-GOSISDBHSA-N	420.556	3.905	10	20	HHCD	
Cc1nnsc1CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	817020104	AVIRYGIOGRNQDS-UHFFFAOYSA-N	405.321	3.947	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1	918228899	QQHNQVUAYVJGRS-FQEVSTJZSA-N	423.561	3.797	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1	918279796	IXBCGUMMTUETOF-UHFFFAOYSA-N	405.951	3.636	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)COc3ccc(F)cc3F)CC2)cc1	919921940	KFZMUPXFTPCTNC-INIZCTEOSA-N	419.472	3.663	10	20	HHCD	
CCN(CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1C	920866626	GZKHBAYZSQNUHS-FQEVSTJZSA-N	410.562	3.718	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)c2C)cc1	921169048	XRENWRXKHDNWGE-UHFFFAOYSA-N	423.557	3.967	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1Cc2ccccc2C2(CCC2)C1	1258221104	OAHJEIHSSKKRDF-UHFFFAOYSA-N	409.505	3.809	10	20	HHCD	
C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)CN(C)C(=O)OC(C)(C)C	1318900674	SOMZIUCDGIJYPX-HNNXBMFYSA-N	405.539	3.573	10	20	HHCD	
CC(C)n1ncc2c1[C@H](NC(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CCC2	1323971397	MZFVPLAPVLZDFT-OAQYLSRUSA-N	411.550	3.520	10	20	HHCD	
Cc1cc(-c2nnc(CCCS(=O)(=O)N3CCCC3)o2)c(C)n1-c1ccccc1	1329249118	ZPOKOBNABQEBBY-UHFFFAOYSA-N	414.531	3.502	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1)c1cc(O)nc(O)c1	1788425183	FVFWCOIBLRWESQ-OAHLLOKOSA-N	407.470	3.597	10	20	HHCD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)no1	1845398235	NOLAJRTUCBJDFB-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NCc3ccccc3N3CCOCC3)C2)cc1	237916960	CPWYJIYIOJTFES-IBGZPJMESA-N	417.500	3.883	10	20	HHCD	
O=[N+]([O-])c1cccc(-c2nc(CNCc3ccc(N4CCOCC4)cc3)cs2)c1	238008836	VTKWODYLJNQTMC-UHFFFAOYSA-N	410.499	3.845	10	20	HHCD	
COc1ccc(N2CCC(Nc3nn4c(C(F)(F)F)nnc4c(C)c3C)CC2)cc1	301646796	DQCBEOVYSUOVSY-UHFFFAOYSA-N	420.439	3.849	10	20	HHCD	
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C2)c1	437008353	QHLXAUUIYFYXOM-LJQANCHMSA-N	421.541	3.647	10	20	HHCD	
COc1ccccc1CN1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1	472271589	BULNESNFWJIGGV-UHFFFAOYSA-N	406.530	3.523	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1	728752534	FUGFDWOEZQQHRF-MRXNPFEDSA-N	404.308	3.575	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CSC[C@@H]2CCCCO2)cc1	728838196	CZLMUNMSXVRUOT-KRWDZBQOSA-N	404.498	3.946	10	20	HHCD	
CCSc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	733846170	NXQFKIFPACZFER-QGZVFWFLSA-N	412.559	3.822	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1	734061546	CLQYZXBDZBPTFU-UHFFFAOYSA-N	408.336	3.791	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3nccc(C)n3)cc2)cc1	734694794	SMNCBCVTWNCSDS-UHFFFAOYSA-N	417.513	3.553	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc21	735376288	RSWSHLCGLGRFJQ-UHFFFAOYSA-N	411.481	3.915	10	20	HHCD	
O=C(CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)cc1F	735517792	CTFXDZMVUASXKJ-KRWDZBQOSA-N	403.425	3.841	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)cc1	737078966	KDRMUVXWSIKTHG-UHFFFAOYSA-N	408.502	3.737	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	740907963	RKULJOZDPIDHKS-HSZRJFAPSA-N	405.498	3.785	10	20	HHCD	
O=C(NCCOc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CC=CC2)cc1	740908173	XJQORZHDFDVAPT-UHFFFAOYSA-N	405.420	3.960	10	20	HHCD	
CC(C)OC(=O)[C@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	745905016	GMKNZXXAMWDSCL-QGZVFWFLSA-N	401.507	3.645	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cn(-c2ccc(Cl)cc2)nn1	751303403	YLHRMFIAYLJMGO-UHFFFAOYSA-N	415.844	3.883	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1C	751362970	XWRXQANPQUVAKX-UHFFFAOYSA-N	419.543	3.859	10	20	HHCD	
CN(CC1CCCCC1)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751930116	ANQWPHYWUFAGHT-UHFFFAOYSA-N	401.532	3.512	10	20	HHCD	
C/C(=C/C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1OC(F)F	753292790	BHBZBHXEVRSYCU-PEZBUJJGSA-N	402.441	3.844	10	20	HHCD	
C[C@]1(NCc2cc(Br)cc(Br)c2O)CCO[C@@H]1C1CC1	753596077	SZZYDCNJWUVQOJ-CABCVRRESA-N	405.130	3.964	10	20	HHCD	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	753644316	KNLGRPTXMDALLJ-OAHLLOKOSA-N	413.474	3.603	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(C)n(-c4ccccc4)c3=S)CC2)cc1F	754013952	PJNKIENIZBKCCV-UHFFFAOYSA-N	413.522	3.639	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cncc(Cl)c1	754694740	OTZYFEVUEGSNGX-UHFFFAOYSA-N	417.903	3.845	10	20	HHCD	
CCOCCOc1cc(C)ccc1CNC(=O)NCc1ccc(N2CC=CC2)cc1	755175876	RDZVAQVILSEHPY-UHFFFAOYSA-N	409.530	3.786	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c[nH]nc1-c1ccccc1Cl	755386122	WYLHUVMJSQJJCT-UHFFFAOYSA-N	424.932	3.869	10	20	HHCD	
C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1cc([N+](=O)[O-])ccc1O	756774140	GQCXAAVWSUXHAZ-CJMONDIMSA-N	405.882	3.676	10	20	HHCD	
CCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)cc1CC	756936008	JTOGITXATSMTFT-UHFFFAOYSA-N	410.561	3.682	10	20	HHCD	
C[C@@H]1C[C@@H](Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c2c(O)ccc(F)c21	757626474	AGISSQUAKLRYFL-IUODEOHRSA-N	401.463	3.781	10	20	HHCD	
CCCn1ccnc1CCCN(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	758615218	DJUFVVLRZPUVCC-UHFFFAOYSA-N	413.566	3.545	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnn(-c3cccnc3)c2)cc1	759312605	ITKHDHMXWHXGGU-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H]3CSCCN3Cc3ccccc3)CC2)cc1	760015768	HDVSTXDDFHMONM-QHCPKHFHSA-N	411.615	3.871	10	20	HHCD	
COc1cc(Br)cc(CN(Cc2ccccc2)[C@H](CO)C2CC2)c1O	761226011	MDLDEXHWHBXKEW-GOSISDBHSA-N	406.320	3.936	10	20	HHCD	
CN(CCCNC(=O)NCc1cccc(Br)c1O)c1ccccc1F	764766297	ZKHCCCLOYAXWND-UHFFFAOYSA-N	410.287	3.620	10	20	HHCD	
O=C1CCc2cc(NC(=O)NCc3cccc(Br)c3O)c(F)cc2N1	765362355	LYQIRHNWSIGVPB-UHFFFAOYSA-N	408.227	3.500	10	20	HHCD	
COc1cc(Br)cc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O	769402457	XYRGZANQAJHPQX-NSHDSACASA-N	403.317	3.508	10	20	HHCD	
CC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1NC(=O)OC(C)(C)C	769485962	REDXVIYQVZTYGN-UYAOXDASSA-N	421.557	3.788	10	20	HHCD	
O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771063017	DBLSAMYBRUQYMK-QGZVFWFLSA-N	412.921	3.635	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cccc(OC(F)(F)F)c1	771840765	HDGJONUYAMCZID-UHFFFAOYSA-N	400.740	3.913	10	20	HHCD	
COCc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	772610878	OBJVQJWABMRLAV-HOTGVXAUSA-N	401.482	3.907	10	20	HHCD	
COc1cc(CNCc2cccc(Br)c2O)c(Br)cc1O	775146242	OILPJMVYDMBKNM-UHFFFAOYSA-N	417.097	3.921	10	20	HHCD	
COc1cc(CN2CCN(Cc3cc(Cl)cc(F)c3O)CC2)cc(OC)c1OC	775725399	XYUMALGWSOEINU-UHFFFAOYSA-N	424.900	3.528	10	20	HHCD	
CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2cccnc2)no1	776133894	ZMSHTUDSKQOAHD-HNAYVOBHSA-N	408.506	3.955	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1	776739391	OQOBEYULSHTJSM-VFNWGFHPSA-N	417.912	3.772	10	20	HHCD	
O=C(Nc1sccc1C(=O)NCc1ccc(O)c(O)c1)c1ccccc1Cl	778922823	HTBWVCHHDSMUCM-UHFFFAOYSA-N	402.859	3.995	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(C(=O)N2CCc3ccccc32)cc1	779511305	UBPABRAYUGINQH-SDQBBNPISA-N	400.434	3.953	10	20	HHCD	
COc1ccccc1COC1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1	779608575	FWVCFBJVRNONAN-UHFFFAOYSA-N	409.574	3.628	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3cc(OC)ccc3OC)CC2)cc1	788092372	WZKVHPUPOFLUIE-IFMALSPDSA-N	410.514	3.601	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21	788931243	CKJIDJIFFUIXAD-DEOSSOPVSA-N	417.553	3.972	10	20	HHCD	
COc1ccc(CNC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c(O)c1	792889202	CRKRYCMPONQUIC-UHFFFAOYSA-N	404.894	3.602	10	20	HHCD	
Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	797023000	WVOPNSLZQKFCGZ-QGZVFWFLSA-N	402.498	3.939	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(F)ccc(C)c1Br	797068944	CIODSLHDGSPZKH-UHFFFAOYSA-N	423.282	3.980	10	20	HHCD	
CCOc1cc(NC(=O)N(CC(=O)O)Cc2cc(Cl)ccc2O)ccc1OC	797736601	YIYCUNISLURAAH-UHFFFAOYSA-N	408.838	3.572	10	20	HHCD	
CN(C)c1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)NC(=O)OC(C)(C)C)cc1	799960790	PCNZHRHKKWDINZ-CQSZACIVSA-N	407.496	3.795	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNc1cccc(C(F)(F)F)c1	800049162	GOZPDVIOFIUFQA-UHFFFAOYSA-N	407.436	3.613	10	20	HHCD	
CCCCCS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800050298	RZBKPDTTXLCSOT-MRXNPFEDSA-N	414.999	3.798	10	20	HHCD	
COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1	800572423	XYSBIYVBRYPHAX-HNNXBMFYSA-N	415.921	3.840	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1Cl)c1ccc(N(C)C)cc1	802567950	HKROAIXZSFIWIJ-LLVKDONJSA-N	424.726	3.984	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nc2ccccc2s1	804166986	FYPHMFXQBIZOCG-OAHLLOKOSA-N	422.554	3.731	10	20	HHCD	
CC(C)(C)C(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	804916716	JPHOVXATSKKIJV-UHFFFAOYSA-N	402.322	3.535	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1nccn1-c1ccccc1)c1ccc(N2CCOCC2)cc1	804988368	BFADKPOHFDFCIN-RBUKOAKNSA-N	419.529	3.830	10	20	HHCD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	805167694	NMJDTXYKYLRRIB-UHFFFAOYSA-N	424.472	3.778	10	20	HHCD	
CC[C@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)cc(Cl)c1O	806137569	PXOQCMRLXHRUHU-JXFKEZNVSA-N	422.312	3.995	10	20	HHCD	
CN(C)CC[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)C(C)(C)C	806391889	VFHOMEWLRBZZJH-OAQYLSRUSA-N	417.594	3.536	10	20	HHCD	
CCCN(C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCc2cccnc21	807677004	KHTVFMMDEMJMDA-UTKZUKDTSA-N	408.546	3.641	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cnc(C(F)(F)F)cc2C)cc1	810351224	ITEBWMVLKDYVBU-UHFFFAOYSA-N	422.451	3.852	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1cccnc1	914046681	WAFPLYNBOVTJIC-XNTDXEJSSA-N	404.538	3.868	10	20	HHCD	
COC(=O)c1cc2cc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccc2o1	915705594	KUEQKCIAMVKGAQ-UHFFFAOYSA-N	423.469	3.720	10	20	HHCD	
COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	915778893	SVCCLRMGIBSIHG-UHFFFAOYSA-N	409.530	3.848	10	20	HHCD	
CCCCn1nc(C)c(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1Cl	915850024	NVZBQCQKTFMESS-FMIVXFBMSA-N	401.941	3.711	10	20	HHCD	
CCOc1ccc(O)c(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1	915851222	RNKYWQVYFCXHOR-MHWRWJLKSA-N	401.465	3.895	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N(Cc3ccccc3)C3CC3)CC2)cc1	916196760	OPHHGYWCJIPZMU-UHFFFAOYSA-N	422.573	3.582	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C	917916693	AESDOIRMPSYVNP-CALCHBBNSA-N	406.523	3.535	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCC(c2ccccc2)c2ccccc2)c1	919806018	BKPHUHVHJVAZNY-UHFFFAOYSA-N	424.522	3.716	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccccc1CS(=O)(=O)NC(C)C	1116585235	UKFKKMBTYJMTHJ-APWZRJJASA-N	402.560	3.867	10	20	HHCD	
Cc1coc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1C	1117415845	PEAUGCSRPIEKAN-SFHVURJKSA-N	401.507	3.958	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	1320978631	PZOBSSUXJWFZKQ-LBPRGKRZSA-N	402.813	3.506	10	20	HHCD	
CCOc1c(Cl)cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC	54285359	LEWQHEFVLIPJFV-UHFFFAOYSA-N	404.894	3.514	10	20	HHCD	
OC1CCN(c2ccc(CNc3cc(-c4ccccc4)nc4ncnn34)cc2F)CC1	301074546	IGWOHRKWCLQYTI-UHFFFAOYSA-N	418.476	3.504	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)n(C)c2ccccc12	550761114	MSGZXTQTZZPTJB-AWEZNQCLSA-N	415.440	3.582	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1	801549247	HHMQFZWCKUMUKU-UHFFFAOYSA-N	418.559	3.702	10	20	HHCD	
COc1ccc(Cl)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807511249	IXPJBVSWYKUPGF-UHFFFAOYSA-N	403.649	3.616	10	20	HHCD	
COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	804369571	VWKFUAYVIPXNCC-HXUWFJFHSA-N	408.420	3.970	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC=C(c4ccncc4)C3)cc2F)C[C@H](C)O1	804969215	OBCYKBYHJZVLKK-ROUUACIJSA-N	424.520	3.833	10	20	HHCD	
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1	807387619	PNUVFSANUKOOPY-GFCCVEGCSA-N	421.291	3.587	10	20	HHCD	
CC(C)c1csc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n1	808305742	FMPTWLOITGFKKI-UHFFFAOYSA-N	415.559	3.950	10	20	HHCD	
CCOCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccccc1O	812189121	QMIACMWEKCQBFP-NRFANRHFSA-N	424.501	3.559	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1CCN(c2ccccc2Cl)C1	811460112	XWCMGALOPRZOAU-CYBMUJFWSA-N	409.711	3.951	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)cc1)C1CCCCC1	816907983	NKPJKRWVCDGABI-AREMUKBSSA-N	419.569	3.920	10	20	HHCD	
CC(C)n1cnnc1CN(C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	815757132	YCEAQXZZNNTMSI-UHFFFAOYSA-N	405.462	3.872	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3ccc(NC(C)=O)cc3)ccc21	728638012	HPLQXYUNUNAPDN-UHFFFAOYSA-N	422.481	3.903	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)nc2Cl)cc1	725825692	GLVDJZNXXUDNDI-UHFFFAOYSA-N	400.331	3.808	10	20	HHCD	
Cc1cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Cl)c1	728868493	VBVNCEMJIPDSMP-SFHVURJKSA-N	406.935	3.539	10	20	HHCD	
CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	733039867	ULLSKYQYHVQZAB-JTHBVZDNSA-N	422.573	3.927	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3cccc(O)c3)cc2F)CC1	731545027	UBFCMEUFYJCVRU-QGZVFWFLSA-N	414.525	3.576	10	20	HHCD	
C[C@H](CN(C(=O)/C=C/c1cccnc1)c1ccccc1)NC(=O)/C=C\c1cccnc1	733876671	CQJWAVNUHHFZPI-FTCGQJTQSA-N	412.493	3.741	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](c3cccc(Cl)c3)N(C)C)CC2)cc1	731870018	HWMKNQQTJXBQJJ-NRFANRHFSA-N	401.938	3.690	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCCC3)cc2)c1	734953697	BETBHXPIDKXOHA-OAHLLOKOSA-N	412.486	3.928	10	20	HHCD	
COc1ccccc1C(=O)N1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1	917450174	PSCJYPFBLBIADG-UHFFFAOYSA-N	420.509	3.984	10	20	HHCD	
CC1(C)[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]2CCCO[C@H]21	743648639	OKAVNLJFUACWPH-UTRMSSBJSA-N	423.504	3.760	10	20	HHCD	
CS(=O)(=O)C[C@@H]1CCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	917121247	WZEGFWZFGHTGTD-QGZVFWFLSA-N	414.531	3.797	10	20	HHCD	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918224742	WCQXKKINHLTUIN-CQSZACIVSA-N	407.436	3.843	10	20	HHCD	
C[C@H](c1ccccc1F)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918220675	IYUKCJFNALRGOQ-OAHLLOKOSA-N	403.473	3.829	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3cc(Br)ccc3F)CC2)cc1	758056260	UILAUVVYKULWHI-UHFFFAOYSA-N	421.310	3.878	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	756362742	LJSXZZMDELWIRF-HUUCEWRRSA-N	421.519	3.743	10	20	HHCD	
Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751929730	BTDLNNZEOSNIOS-INIZCTEOSA-N	423.538	3.828	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3nc4ccccc4s3)CC2)cc1F	753861296	PODJOMDVQBLSRX-AWEZNQCLSA-N	414.506	3.593	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)cc1	756470260	NOIHFVQXMSKPGO-KBXCAEBGSA-N	406.523	3.900	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H]2CCC[C@H]21	769919741	FUNDQRRQKKZUSY-CZUORRHYSA-N	406.529	3.659	10	20	HHCD	
C[C@@H](NCc1ccccc1Cn1cncn1)c1ccc(N2CCOCC2)cc1Cl	764859377	BADCLWZWYJTOBV-QGZVFWFLSA-N	411.937	3.667	10	20	HHCD	
CC[C@H](c1ccc2c(c1)OCCO2)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761130240	XZWJKAVOOIGZFX-MRXNPFEDSA-N	416.861	3.732	10	20	HHCD	
COc1ccc([C@@H](CCO)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	763398252	KYGHBUDFLVAGRX-OPAMFIHVSA-N	404.938	3.960	10	20	HHCD	
O=C1N[C@H](c2cccs2)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	761154563	BRHLFHGDQWHESZ-MRXNPFEDSA-N	407.442	3.611	10	20	HHCD	
CCN(CCC(F)(F)F)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	764067268	HWUXHYBJOYNREL-UHFFFAOYSA-N	422.450	3.669	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C1CCC(NC(=O)OC(C)(C)C)CC1	769564634	CQQQGJDVEFPFEO-UHFFFAOYSA-N	403.567	3.791	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc(Br)ncc1Cl	765751982	CJGSHTWAUIKCNP-UHFFFAOYSA-N	420.488	3.896	10	20	HHCD	
CCCOc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC	760997801	AVENGWFFZDTIKQ-UHFFFAOYSA-N	418.877	3.807	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C[C@H]2COC(=O)C2)sc(C)c1-c1ccc(F)cc1	769645717	GSOKZKTWKOIIAB-GFCCVEGCSA-N	405.447	3.931	10	20	HHCD	
CCOc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc(Cl)c1O	762620074	YZSDZXVDJFNFIE-MRXNPFEDSA-N	405.878	3.971	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(COc2ccc(Br)cc2)o1	778916328	DUQMRSRPLKVJBU-UHFFFAOYSA-N	418.243	3.962	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1Cl	772982546	WTJNWSNWKAKIEC-MGPUTAFESA-N	417.912	3.772	10	20	HHCD	
CCCCOc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1	776065262	KNINBUKPRGAWKI-UHFFFAOYSA-N	416.497	3.682	10	20	HHCD	
COC(=O)c1ccc(COc2ccc(CN(C)Cc3ccccc3O)cc2OC)o1	775913747	ZUNCKVMWPYGMPO-UHFFFAOYSA-N	411.454	3.991	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(OC(C)(C)C)nc1)c1ccc(N2CCOCC2)cc1	778629286	FQUZSSBKZJQMOQ-QGZVFWFLSA-N	412.534	3.656	10	20	HHCD	
CCn1nc(C)c(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	772511637	RZNCQRJIAMTXFP-OAHLLOKOSA-N	407.465	3.912	10	20	HHCD	
COc1cccc(OC)c1Oc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cn1	779500747	PSOQMJQCAJZOFF-YFHOEESVSA-N	422.437	3.632	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H](CO)Cc3cc(F)c(F)c(F)c3)CC2)cc1	774397553	UAYOITHJEWYDKF-MRXNPFEDSA-N	408.464	3.522	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)c2)CC1	770152806	KEYGMKOLGJYQKS-UHFFFAOYSA-N	402.498	3.640	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nn1C1CCCCC1	776466247	UVJWJJLOCBXPAH-UHFFFAOYSA-N	410.562	3.835	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCC[C@@H]1CCCO1	787636827	BHGQFHCYUIQMGM-UESPBHMZSA-N	411.570	3.842	10	20	HHCD	
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	788925422	GUCAZANXPSGFLD-OAHLLOKOSA-N	414.481	3.751	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(CCc2ccc(F)cc2)C2CC2)cc1	788977159	KUGBBYBBJBQVMA-UHFFFAOYSA-N	411.521	3.522	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1	787449551	LXKLDPJCZBDXLK-UHFFFAOYSA-N	408.410	3.818	10	20	HHCD	
COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(OCC2CC2)c1	788172441	MQEUOSKCUULQHR-KRWDZBQOSA-N	410.514	3.812	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCc4cnn(C)c4C3)c2C)c1	798767161	ZKMKXAULJWKDRO-SFHVURJKSA-N	405.498	3.667	10	20	HHCD	
Cc1ccc2nc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)cn2c1	790519715	RRWFUAHCZMUSNO-UHFFFAOYSA-N	404.436	3.788	10	20	HHCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl	794796006	QRPWRNXJADLWSM-LLVKDONJSA-N	402.347	3.558	10	20	HHCD	
COc1ccc(NCc2cc(C)c(C)cc2O)cc1S(=O)(=O)N1CCCCC1	796391765	NPLPBNJVUNWMFE-UHFFFAOYSA-N	404.532	3.804	10	20	HHCD	
CC1(C)CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H]1C1CC1	793404259	FVKVKTCKPMDUPN-KRWDZBQOSA-N	406.529	3.515	10	20	HHCD	
CC(C)Cc1ncc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1	792331518	ZKZQKCZFXSGMBB-UHFFFAOYSA-N	423.561	3.699	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCc3nnc4n3CCCC4)cc2Cl)C1	799918689	XHMSNYHOMKUMRV-HNNXBMFYSA-N	416.957	3.504	10	20	HHCD	
Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)c(C)o1	1795063379	JWYHVQYYALCCEO-QDMKHBRRSA-N	418.877	3.527	10	20	HHCD	
CCn1c(SCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc2ccccc21	109180685	LZBUJLDOEFKLMZ-KRWDZBQOSA-N	424.570	3.862	10	20	HHCD	
COc1ccc(-c2nc(COC(=O)c3ccc(C)c(O)c3O)cs2)cc1OC	110002829	RAUNAJAAPUZMHP-UHFFFAOYSA-N	401.440	3.904	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2=NO[C@H](c3ccccc3)C2)cc1	116539399	BVOPTYKQPYNTHV-GMAHTHKFSA-N	407.514	3.778	10	20	HHCD	
C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCOc2cc(N(C)C)ccc21	437027668	UJBGYXKSDBKGCF-LBPRGKRZSA-N	422.312	3.603	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(C(=O)C3CCC3)cc2)n(C)c2ccccc12	472793332	QIUJNIXABAKOOX-UHFFFAOYSA-N	403.482	3.724	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	541265756	ILEINRLAIFYGAX-UHFFFAOYSA-N	407.879	3.832	10	20	HHCD	
C[C@H](NC(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1)c1ccc(N2CCOCC2)cc1	726239264	YNLSFAHPFYBMLJ-AQNXPRMDSA-N	416.610	3.640	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cnc(Cc2ccc(F)cc2)s1	727105240	XBPWPJQABLTJAO-UHFFFAOYSA-N	411.502	3.640	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2OC(F)F)cc1F	731409282	OZOSKRNYLIWGNS-UHFFFAOYSA-N	409.408	3.528	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccc1N1C(=O)CCC1=O	733035214	ABOFBNNFWZTNER-UHFFFAOYSA-N	406.486	3.570	10	20	HHCD	
O=C(NCCCSc1nccs1)c1csc(I)c1	733973253	XEDCVTSWMKRBDR-UHFFFAOYSA-N	410.327	3.721	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)c1	734060070	OQXGHQTVNIUAEH-UHFFFAOYSA-N	409.442	3.705	10	20	HHCD	
CSc1nc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cc2s1	734701549	DWXODKMDFBSWBF-UHFFFAOYSA-N	414.556	3.648	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(F)c1	740919759	LTZFQGAXLWBKFB-OAQYLSRUSA-N	405.477	3.524	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c(Cl)nc2ccccn12	742801456	ZNKFFVBEFRKZQP-CYBMUJFWSA-N	420.847	3.988	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCN(C(=O)OCc2ccccc2)CC1	742951931	BGGKRMUATJEQAP-UHFFFAOYSA-N	423.513	3.527	10	20	HHCD	
Cc1nc(C)c(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	743554643	JRGZOTAMOUKGEH-STQMWFEESA-N	406.527	3.512	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCCCC3CCCC3)cc2)C1	743704114	LGIFDVWOYRJUOW-HXUWFJFHSA-N	400.567	3.548	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(F)c(NC(C)=O)c1	743808595	ZBDUHKUESWYZOS-UHFFFAOYSA-N	409.255	3.915	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cccc(N2CC=CC2)c1	745592588	LDVZFUVPOWWVQW-UHFFFAOYSA-N	408.571	3.615	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1O	745788599	NSSIFSIOKNLDPV-UHFFFAOYSA-N	416.481	3.798	10	20	HHCD	
O=C(NCc1ccccc1O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1	748459388	GLIYTMUASRVPOS-QGZVFWFLSA-N	421.419	3.574	10	20	HHCD	
O=C(NCC1(C2CC2)CCC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	752632731	YCYMODFLLRXDNQ-UHFFFAOYSA-N	406.529	3.565	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cnn(-c2ccc(Cl)cc2)n1	752815616	ZIAVSRXOTVKJJF-UHFFFAOYSA-N	415.844	3.883	10	20	HHCD	
CC(=O)NC1CCC(N(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	753168139	XXHCEKIVENARTF-UHFFFAOYSA-N	400.567	3.512	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1cccc(F)c1)c1cc(Br)cc(F)c1O	756459543	OYIFMGCFVQRBQA-MFKMUULPSA-N	402.235	3.523	10	20	HHCD	
C[C@H]1C[C@@H](NCc2ccccc2OCCN2CCOCC2)c2c(O)ccc(F)c21	756481868	YZULJTXWJFESBP-QFBILLFUSA-N	400.494	3.580	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)C[C@H](C)C2)c(C)n1-c1ccccc1Br	762550027	YDQRCUPRDGAIIP-SHZVTRLKSA-N	423.376	3.697	10	20	HHCD	
CCOc1cc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc(Cl)c1O	762623669	UAFWYITUZFXTNT-UHFFFAOYSA-N	408.857	3.554	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC3CN(C(=O)OC(C)(C)C)C3)ccc21	762664875	PFUWWEDASLNEMI-UHFFFAOYSA-N	415.534	3.501	10	20	HHCD	
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCc1cccc(Br)c1O	764767831	PPXBDAOKKHGNQG-LBPRGKRZSA-N	421.291	3.704	10	20	HHCD	
C[C@](O)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1	765232070	ZYUUVRBCNWMQNM-NRFANRHFSA-N	419.978	3.600	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N2CCCCC2)cc1	765286382	PPUINZOHIATUAG-SFHVURJKSA-N	401.576	3.778	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccn(-c2ccc(F)cc2F)n1	765750195	AUXLVALYRYHQHU-UHFFFAOYSA-N	408.202	3.549	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	766067196	GOBYLBNGNRJEIC-IVZQSRNASA-N	420.937	3.578	10	20	HHCD	
COC[C@H]1CCCCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	767948431	NGTWAJQWBABUEW-IRXDYDNUSA-N	420.509	3.538	10	20	HHCD	
C[C@@H](OC(=O)c1ccoc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	768953235	VEXHQHGVUCDPMB-LLVKDONJSA-N	423.808	3.892	10	20	HHCD	
Brc1cccc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)c1	769153729	OVUAZCRHFACIDW-OAQYLSRUSA-N	417.347	3.859	10	20	HHCD	
Cc1nc(CN2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)oc1C	769326145	BMKVOJTZHLBAMU-UHFFFAOYSA-N	413.522	3.508	10	20	HHCD	
COC(=O)c1csc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	770256267	DJOIEXNEGUDGJM-BETUJISGSA-N	421.494	3.609	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1	773741432	ZCRSVEUZSXTNQP-CVEARBPZSA-N	420.550	3.818	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1	773741551	KLSJRJFDZBLHOW-HOCLYGCPSA-N	411.527	3.671	10	20	HHCD	
C[C@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)c(Cl)cc1O	774161083	KSJUNSYSMGCLHG-OVWNDWIMSA-N	408.285	3.604	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN(C[C@H]1CCOC1)C1CC1	775650010	WRDQWGNVNXPERK-SNVBAGLBSA-N	405.130	3.918	10	20	HHCD	
Cc1ccccc1-c1csc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1	776082988	LYKAZAWDRVYUOG-UHFFFAOYSA-N	419.919	3.924	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)[C@H]1Oc1ccccc1	776161354	MUONEVWGHOEXPL-BRWVUGGUSA-N	407.561	3.550	10	20	HHCD	
CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1ccc(C)c(O)c1O	780930193	KYVBGRJVFSBOTM-UHFFFAOYSA-N	409.486	3.734	10	20	HHCD	
Cc1cc(C(=O)CN2CCc3ncsc3C2)c(C)n1-c1ccc2c(c1)OCCO2	782634887	LXBVEZUTJDKKAO-UHFFFAOYSA-N	409.511	3.563	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(-c4ccoc4)c3)cc2)CC1	786260008	UMWHEFCYUKNETE-UHFFFAOYSA-N	403.482	3.545	10	20	HHCD	
COC(=O)c1cc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(C)cc1C	788312918	MLJXTUVACDUUNB-UHFFFAOYSA-N	415.465	3.592	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	793576254	ODBOTFBBZNHYMC-IAGOWNOFSA-N	420.550	3.868	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1	797638669	KKHGZAYPXKQROH-INIZCTEOSA-N	419.481	3.781	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)n2)s1	799636122	HADASUYDWWUUBR-UHFFFAOYSA-N	407.542	3.683	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCCC12CCOCC2	800021197	IIKOBWQPUGSRTR-QFBILLFUSA-N	423.504	3.905	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	801024172	YQAWOKNUNRQSGG-HSZRJFAPSA-N	414.550	3.509	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccc(OC(F)F)cc1	807166662	HVKPSJXRNQEACS-UHFFFAOYSA-N	419.472	3.509	10	20	HHCD	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C2CC2)o1	807290122	PZAFVXBOWQHYHJ-VGSWGCGISA-N	419.525	3.587	10	20	HHCD	
Fc1cc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)ccc1N1CCOCC1	809726048	COBAHSBFQZASKP-VQTJNVASSA-N	416.497	3.624	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCN(c2ccccc2Cl)C1	809974092	LKJUIBGUSPPATB-LJQANCHMSA-N	413.949	3.662	10	20	HHCD	
Cc1cc(Br)c(O)c(CNc2cc(C(N)=O)ccc2OCC(F)F)c1	810180527	AIBFKMZFZADJCD-UHFFFAOYSA-N	415.234	3.818	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)cc1	813591927	ZFIHPLSAFDUYDD-UHFFFAOYSA-N	412.509	3.645	10	20	HHCD	
C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1	813606584	UIAYYSGNSGOGOO-INIZCTEOSA-N	412.490	3.727	10	20	HHCD	
CN(C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCN(S(C)(=O)=O)C1	814485148	XRTXAKXMVLINLO-SFHVURJKSA-N	401.492	3.600	10	20	HHCD	
C[C@@H](NCc1cc(Br)cc(Br)c1O)c1ccnc(O)c1	816638939	CDFIJJFFDAPOGS-MRVPVSSYSA-N	402.086	3.869	10	20	HHCD	
CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)s1	915222312	PGJNLRTVVLLTNR-UHFFFAOYSA-N	407.542	3.617	10	20	HHCD	
Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	916456265	AWTNMTWELFXQHO-MRXNPFEDSA-N	422.447	3.934	10	20	HHCD	
CC[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1	917095029	WGEDWTORANTEQD-HXUWFJFHSA-N	419.928	3.673	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(F)c(Cl)c3)cc2F)C[C@@H](C)O1	917170012	SFFYZHRLQSANQY-OKILXGFUSA-N	424.875	3.927	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OCc2cccnc2)cc1	917709453	XKQZQLBPBYNCIT-UHFFFAOYSA-N	421.472	3.566	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2Br)cc1	917927673	BFPZXBYHHAPPRQ-UHFFFAOYSA-N	409.349	3.868	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	918294309	PJEXVVPZWHONCS-UHFFFAOYSA-N	414.845	3.815	10	20	HHCD	
Cc1cc(CCNC(=O)NCCNC(=O)c2ccccc2F)c(C)n1-c1ccccc1	919654633	JRCSTFROBQFPCA-UHFFFAOYSA-N	422.504	3.505	10	20	HHCD	
C[C@@H](NC(=O)N1CCC([C@H](O)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	920920262	DOMWJNRJHPGMGT-NTKDMRAZSA-N	423.557	3.739	10	20	HHCD	
CN1CCN(c2ccc(CNC3(c4cccc(F)c4)CCOCC3)cc2F)CC1	1329665147	AVJQSDTTXWCDDF-UHFFFAOYSA-N	401.501	3.512	10	20	HHCD	
Cc1cc(CC(=O)NC[C@@H](CO)CC2CCOCC2)c(C)n1-c1ccc(Cl)cc1	1343814586	LIAGHYVYIOZIJN-IBGZPJMESA-N	418.965	3.831	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)n1-c1cccc(F)c1	5407926	LZBUMDGCXMQTOO-UHFFFAOYSA-N	414.477	3.656	10	20	HHCD	
CC[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)n1nnc(-c2ccc(Cl)cc2)n1	302814873	NOBIBMPJWKCUAV-LJQANCHMSA-N	412.925	3.669	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1	470533568	LDZRDXDYMALEQP-UHFFFAOYSA-N	412.877	3.814	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3c(C)c4ccccc4n3C)C2)cc1	471221535	VQPYUFBFOACRGZ-HXUWFJFHSA-N	403.526	3.964	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H]3C(=O)Nc4ccc(F)cc43)ccc21	555535251	SPAIRZYJFYUVLN-SFHVURJKSA-N	423.488	3.899	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC1=S	727175652	DJAXEMZBVHWMFE-SXGWCWSVSA-N	418.927	3.606	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2sc(C)nc2C)cs1	727248057	BCLYAJDTMFZUMP-UHFFFAOYSA-N	423.541	3.779	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	728020655	YFSMMRLRWIVYMT-RLMFJUOGSA-N	415.603	3.893	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)CC1	731016486	TYNGCOIIQDHLMT-UHFFFAOYSA-N	419.485	3.947	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4)cc2)CC1	731049062	ZKRZZWNXMZXXMI-KRWDZBQOSA-N	406.530	3.978	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H](O)c1ccc2ccccc2c1	731498415	MOSWBVHVVRZGHW-QHCPKHFHSA-N	421.566	3.926	10	20	HHCD	
O=C(NCCc1ccc(F)cc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1	733354235	WUOHRDMMSIDKTD-UHFFFAOYSA-N	419.928	3.730	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)Oc3ccccc3)cc2F)C[C@@H](C)O1	733804051	WCWWUWCDSYHHKX-KURKYZTESA-N	415.509	3.706	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	735435670	DBBYEMQCYWJIGZ-UHFFFAOYSA-N	403.866	3.585	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@@H](C(N)=O)c2ccc(Br)cc2)cc1	738300329	VXWZWVCPXIIUOI-LJQANCHMSA-N	404.352	3.954	10	20	HHCD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	739654009	KIGQQZWSTVTBMP-WDNDVIMCSA-N	406.438	3.925	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)c2c(F)cccc2Cl)cc1F	741279542	SAGXIYNRKGYXIJ-GOSISDBHSA-N	411.880	3.997	10	20	HHCD	
C[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCN(C(=O)c2ccccc2)C1	742046776	YNYYTDHIGGSVBH-RUZDIDTESA-N	405.542	3.846	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CC(c2ccccc2)=NO1	742801804	SMLAYLQMYHCTHI-UZLBHIALSA-N	415.440	3.566	10	20	HHCD	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	743560151	QTBVZWBDBPOUDE-VWNXMTODSA-N	423.557	3.799	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1	743766234	UYQMBGYMBKWHEI-HSZRJFAPSA-N	409.555	3.522	10	20	HHCD	
CCN(CC(=O)Nc1ccc(OC)cc1OC)Cc1cc(Br)ccc1O	743871207	WXEFJSKFNBBNAD-UHFFFAOYSA-N	423.307	3.633	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccc(N3CCOCC3)nc2)c1	745374915	FSIKJGCZXDGISQ-UHFFFAOYSA-N	404.514	3.564	10	20	HHCD	
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	745837958	QCGSQXRQHGOAIO-HKUYNNGSSA-N	408.564	3.592	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4c(cnn4C)c3)c2C)c1	747732190	PAMUQHRQHVISEU-UHFFFAOYSA-N	402.454	3.724	10	20	HHCD	
Cc1ccc(C[C@H]2CCCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)cc1	747860573	FYZYJHSAIQSFRT-HSZRJFAPSA-N	407.558	3.996	10	20	HHCD	
Cc1nc(C)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)o1	748205310	LRHGHMMGQAXXOI-UHFFFAOYSA-N	410.426	3.510	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCC[C@@H]1C	749697306	VKAQDCCZOHFTQX-IRXDYDNUSA-N	421.501	3.946	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1)C1=S=CC=C1	749933537	LHTYPIVVUUBYIS-UHFFFAOYSA-N	401.831	3.717	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1	752362917	PRWRAMHWLMFXCM-ZBFHGGJFSA-N	417.447	3.830	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-n3cccc3)nc2)cc1	753291550	TUEBQGPDFGAPOC-QFIPXVFZSA-N	404.514	3.760	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1	753634979	AJKQZLWOHLRVFI-ZDUSSCGKSA-N	411.479	3.959	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3OC)CC2)cc1F	753737296	DZWBFOLDEGPOOF-UHFFFAOYSA-N	423.282	3.568	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2ccncn2)c(C)n1-c1ccc2c(c1)CCC2	755635173	XMLNIVUSUODGIP-UHFFFAOYSA-N	403.482	3.732	10	20	HHCD	
Cc1cccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1Br	757017618	LFCMMHPXMVXMEB-UHFFFAOYSA-N	416.319	3.712	10	20	HHCD	
COc1cc(N2CCN(Cc3nc(-c4ccccc4)oc3C)CC2)cc(OC)c1OC	759878761	MTZXXUOFEUFBCC-UHFFFAOYSA-N	423.513	3.998	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1	760003299	JSGSBLZXJJFEAQ-NRFANRHFSA-N	401.510	3.873	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1	762576248	LLBPPBRYBRBQJY-UHFFFAOYSA-N	406.574	3.950	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2F)C[C@@H](C)O1	764205518	WDQSPDUXEVIFHZ-CHWSQXEVSA-N	421.856	3.931	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)cc1	764433555	NFMZOADVXBTONJ-GOSISDBHSA-N	414.531	3.817	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(-c4ccccc4C)nn3C)CC2)cc1F	764735721	HODPHDASGRXCBB-UHFFFAOYSA-N	423.492	3.897	10	20	HHCD	
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cccc(Br)c2O)C1	764764377	PFYFXCRLRDCYJY-YOEHRIQHSA-N	418.335	3.789	10	20	HHCD	
O=C(NCCCc1nc2c(s1)CCCC2)NCc1cccc(Br)c1O	764768916	JOUQTWAEAYKOKO-UHFFFAOYSA-N	424.364	3.922	10	20	HHCD	
CCN(Cc1ccccc1NC(=O)NCc1cccc(Br)c1O)C(C)=O	765236116	ZVFREYVKIILHOQ-UHFFFAOYSA-N	420.307	3.845	10	20	HHCD	
CCOc1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	765324184	SYGYMQQAXLXNEA-UHFFFAOYSA-N	406.433	3.872	10	20	HHCD	
CC(=O)c1ccc(OCCCC(=O)NCc2cccc(Br)c2O)cc1	765747933	RELAEZIAEIHFFL-UHFFFAOYSA-N	406.276	3.833	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1	768055072	LMBLFHMUDKBNSQ-HNNXBMFYSA-N	406.523	3.690	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCOC2(CCC2)C1	769128659	WHBRGJFWQOWGRO-CVEARBPZSA-N	409.477	3.658	10	20	HHCD	
CCOC(=O)c1ccc(N2CCCN(Cc3cc(Cl)cc(Cl)c3O)CC2)nc1	769165175	QLMZFTPOGLRZLB-UHFFFAOYSA-N	424.328	3.983	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1ccccc1O	769365760	SBAMDKPAWWNCLS-LFIBNONCSA-N	418.565	3.752	10	20	HHCD	
Cc1cnccc1OC1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	772360021	NBVQREMSVOQCBL-IBGZPJMESA-N	424.545	3.541	10	20	HHCD	
CC(C)Sc1ccccc1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	772904382	KTRZAVSLNGMWJR-UHFFFAOYSA-N	417.550	3.891	10	20	HHCD	
C[C@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccc(N(C)C)cc1	773012409	HNBPELDJMSYFRO-KRWDZBQOSA-N	411.571	3.958	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1	775220415	ONAQQVAICWZSKU-OAHLLOKOSA-N	409.964	3.662	10	20	HHCD	
Cc1ccc(I)cc1NC(=O)NCc1ccc(N(C)C)cc1	775407531	AKPJFLOSYDKUKO-UHFFFAOYSA-N	409.271	3.987	10	20	HHCD	
CC[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)c(Cl)c1O	775484610	GOHVVNHOSZJWKM-CQSZACIVSA-N	414.333	3.994	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC(c4ccc(Cl)cc4)CC3)nc12	775824525	QSGMAIIDXZHRSP-UHFFFAOYSA-N	414.893	3.645	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](c2ccc(F)cc2F)C1	777453798	RMKBYIOWEWKHOF-OAQYLSRUSA-N	401.457	3.848	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1	777665649	OCHXFGDYGZWVOX-UHFFFAOYSA-N	417.468	3.682	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccc3c(c2)CCS3(=O)=O)c1O	779037998	YMQYKQCGTLDAAY-GFCCVEGCSA-N	410.333	3.644	10	20	HHCD	
CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1	779511481	JHMDLBHGDMQIRL-NTMALXAHSA-N	414.458	3.653	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H]3CCCN(C4CCC4)C3)CC2)cc1	781373100	ZFWKNZYYRRVXLF-RTBURBONSA-N	414.594	3.616	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1	784556740	IYUDKCZORCPRFD-HNNXBMFYSA-N	404.894	3.548	10	20	HHCD	
COc1cccc2c(NCc3ccc(N4CCN(C(C)=O)CC4)cc3)cc(C)nc12	786066295	DXNJCEBPJOQTIN-UHFFFAOYSA-N	404.514	3.832	10	20	HHCD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	789881258	LUXAQMFAZFKTMX-FQEVSTJZSA-N	408.608	3.876	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(C)cc1OC	790408666	FMQTZJYOAKYFAU-UHFFFAOYSA-N	416.293	3.671	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C	790546677	QHFALHWALPIXQW-LJQANCHMSA-N	411.550	3.968	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1	790592020	TWXUMLMGXZWHDA-ATVHPVEESA-N	421.540	3.673	10	20	HHCD	
C[C@@H](O)CN1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)[C@H](C)C1	793874524	KDIBRPLADWVQCN-QZTJIDSGSA-N	409.534	3.695	10	20	HHCD	
CCN(CC)c1ccc(CNc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1F	796387882	IYIIFQIOJHOEJT-UHFFFAOYSA-N	418.538	3.755	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)CCC(F)(F)F)c(C)n1-c1cccc(Cl)c1	797264140	FVDYRUFOXDDHSU-UHFFFAOYSA-N	408.829	3.760	10	20	HHCD	
Cc1cc(C(=O)NCC2([S@@](C)=O)CCC2)c(C)n1-c1ccc(Br)cc1	798103375	GZRWNJCUXXDIAS-RUZDIDTESA-N	423.376	3.888	10	20	HHCD	
CO[C@@H]1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)[C@H](C)C1	799424138	IPQWWYSRGBQMDQ-WLGVDNMXSA-N	424.613	3.755	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc(C)c1Cl	799832910	PEZXUJLBGSYDRT-GOSISDBHSA-N	416.905	3.809	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F)c1ccc(N(C)C)cc1	806986115	GUZRBMVZPDLKOH-KBPBESRZSA-N	423.435	3.898	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CN(C)C(=O)c3cccs3)c2C)cc1	914958463	PSYGIXFFBIBDHX-UHFFFAOYSA-N	424.522	3.962	10	20	HHCD	
CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	915269329	VCNXFZGIJDJANB-LJQANCHMSA-N	405.516	3.551	10	20	HHCD	
COCc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	916677785	LLWAJTHHLMSCFH-IYBDPMFKSA-N	401.482	3.907	10	20	HHCD	
CCOc1ccc(OCCCC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	917821628	FFDYFLNCDSUPFT-UHFFFAOYSA-N	412.530	3.992	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cc4cc(C)ccc4o3)CC2)cc1	918279728	FLCARPRRCCJGRD-UHFFFAOYSA-N	407.514	3.692	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(-c2cnc(C)o2)cc1	918303797	JTHTWBRMPXDCAU-UHFFFAOYSA-N	406.486	3.703	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)CC2)cc1	918368936	ASYDKLIIHDLEGN-UHFFFAOYSA-N	413.518	3.558	10	20	HHCD	
Cc1cc(C)cc(N2CC[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2=O)c1	919708221	GITRCPZCNKWQEZ-HSZRJFAPSA-N	405.542	3.914	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1	919745206	XXNNNHYWZKFYAU-UHFFFAOYSA-N	408.590	3.552	10	20	HHCD	
CC(C)OCc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	920043399	HXIVFXRHWCKCNH-HXUWFJFHSA-N	424.545	3.635	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(CN2CCCCC2=O)cc1)c1ccc(N2CCOCC2)cc1	920882580	VMLBIAALMSUABU-LJQANCHMSA-N	421.541	3.527	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)cc2F)CC1	1319841805	XALBAEJTPOVWNZ-ZJSXRUAMSA-N	415.528	3.805	10	20	HHCD	
CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1826395539	ODWPZEGIWWINHT-KRWDZBQOSA-N	408.926	3.785	10	20	HHCD	
COc1ccc(CNC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1	7103479	RRYAHFBWCVKZBD-JOCHJYFZSA-N	413.587	3.817	10	20	HHCD	
Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c12	303666499	FKFVRWUYCVRUPO-QGZVFWFLSA-N	407.470	3.936	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(F)F)n(C)c2ccccc12	472245313	YXFJGLPNSDEMNJ-PXNSSMCTSA-N	401.457	3.523	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(CCO)Cc3ccccc3OC)ccc21	490129513	QWWNKCQZSVVDLP-UHFFFAOYSA-N	410.514	3.548	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CCSc3c(F)cccc32)n(C)c2ccccc12	573226411	DVRCEBINAKLSJI-KRWDZBQOSA-N	411.502	3.595	10	20	HHCD	
C[C@@H](NC(=O)NCc1sccc1Br)c1ccc(N2CCOCC2)cc1	726248018	XMMLCLDWVUDZJC-CYBMUJFWSA-N	424.364	3.908	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCCN(C)c3ccccc3)CC2)cc1	726613172	OAHZAXKDYSLGHZ-UHFFFAOYSA-N	410.562	3.880	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	728020652	YFSMMRLRWIVYMT-BHHPWIFDSA-N	415.603	3.893	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(C)sc3c2)cc1F	731409705	ZAOLDNPZGXUTQE-UHFFFAOYSA-N	414.506	3.845	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1	734406395	VAEQFGAMCQNXHG-UHFFFAOYSA-N	407.558	3.549	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3ccccc3OC(F)F)cc2F)C[C@H](C)O1	735633277	POXYZMIMRKBXET-GJZGRUSLSA-N	422.447	3.900	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c2c(nc3ccccc13)CCC2	735828427	UPRVALLGQLYZFH-UHFFFAOYSA-N	415.537	3.862	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccnc(-n3cccn3)c2)c(C)n1-c1cccc(F)c1	740344792	CZKHECSYGRSCDB-UHFFFAOYSA-N	418.428	3.854	10	20	HHCD	
CC(=O)Nc1ccc(F)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742799318	JKYHTDZMCSSVAL-HNNXBMFYSA-N	421.419	3.784	10	20	HHCD	
Cc1nc(S)sc1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800987	OIYHKIQMXPZRHM-LBPRGKRZSA-N	413.515	3.669	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1	743088865	CBNDYOSHWITJNX-OAQYLSRUSA-N	409.486	3.710	10	20	HHCD	
CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	743421675	OEIMPAQLSODWQL-UHFFFAOYSA-N	408.546	3.776	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(Cc2ccccn2)CC1	745460185	SOXREFCBWCLSSU-UHFFFAOYSA-N	409.578	3.732	10	20	HHCD	
Cc1ccc(NC(=O)CN2CCOc3cc(N(C)C)ccc32)c(Br)c1	746493160	RXMHORIBDOVHLD-UHFFFAOYSA-N	404.308	3.661	10	20	HHCD	
CN(C)c1ccc(CN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C2CC2)cc1	749272060	OWPLTFYPWIMODD-UHFFFAOYSA-N	413.465	3.588	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C12CCCCC2	750658377	UIYAWLKQSNRHCA-FGZHOGPDSA-N	415.578	3.793	10	20	HHCD	
CC(C)(C)c1cc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)n[nH]1	751063595	OIJYMWLKURHXFS-UHFFFAOYSA-N	420.516	3.527	10	20	HHCD	
CC[C@@]1(C)CCCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	751069915	SFTGZMUGNNCGPO-IBGZPJMESA-N	408.545	3.907	10	20	HHCD	
C[C@@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cc1F	751978646	APWQXNPSMYDPRU-INIZCTEOSA-N	402.485	3.984	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1	753645557	VZJPOWHWJJHUTD-DYESRHJHSA-N	418.493	3.706	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H]1CCSC1	756378192	WIMOEGZMCWEMST-XTCQQWIJSA-N	412.627	3.693	10	20	HHCD	
Cc1ccc(O)c([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1	756447923	ZCKVUUBASOTBMJ-SFHVURJKSA-N	421.520	3.807	10	20	HHCD	
C[C@H](NCC1(N2CCCCC2)CCOCC1)c1cc(Br)cc(F)c1O	756704566	HXMGNNOLPZCXLF-AWEZNQCLSA-N	415.347	3.980	10	20	HHCD	
C[C@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)c(F)cc1O	756764343	GQPPHXKJIMJRAR-IGNZVWTISA-N	415.347	3.712	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccn(-c4ccc(Cl)cc4)n3)CC2)cc1	756938240	MOBDNHBCUHCIPW-UHFFFAOYSA-N	410.905	3.887	10	20	HHCD	
Cc1ccc(C(C)(C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1	760094392	KYIBDLNYMZVROS-CALCHBBNSA-N	414.525	3.877	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2C[C@H](O)C[C@@H]2C)sc(C)c1-c1ccccc1	761105529	OEDGLFNAFHGREM-WMLDXEAASA-N	416.543	3.684	10	20	HHCD	
COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N(C)Cc3ccccc3O)cc2)c1C	761746419	UUMSSHHWUANPOJ-UHFFFAOYSA-N	421.497	3.573	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccnn2C)c(C)n1-c1cccc(Br)c1	762714584	AISGDJBAOHKMMI-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
Cc1cnc(C2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)s1	763191009	GDTPDWPAIQKWSQ-UHFFFAOYSA-N	418.538	3.516	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(OC(F)(F)F)c1	763427772	MGIDBYGUFHJXDG-UHFFFAOYSA-N	412.383	3.615	10	20	HHCD	
O=C1/C(=C\c2cc(Cl)c3c(c2)OCCCO3)SC(=S)N1Cc1ccon1	764410811	BDNVPXUAHVVITD-RIYZIHGNSA-N	408.888	3.891	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(OC(F)F)c1	765252105	HVVFXLKXPHLUTH-YJBOKZPZSA-N	403.473	3.841	10	20	HHCD	
CN(C)c1nc2sc(C(=O)NCc3cccc(Br)c3O)cc2s1	765731975	OEIZCDHGUNZZAO-UHFFFAOYSA-N	412.334	3.822	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CC(=O)O)C2CC2)c(C)n1-c1ccc(Br)cc1	767069606	OWINLFPXXJFJEP-KRWDZBQOSA-N	405.292	3.840	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cn1	769667171	PETAWZVBYYPWBT-UHFFFAOYSA-N	415.452	3.539	10	20	HHCD	
C[C@@H](NC(=O)Cc1ccccc1I)c1ccc(N(C)C)cc1	773017616	HSEYSIXCIPQMBW-CYBMUJFWSA-N	408.283	3.777	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(N(C)C)cc1	773083282	DTIBYDGLSJYLHA-LLVKDONJSA-N	417.409	3.719	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1)c1ccc(N(C)C)cc1	773857224	KTUCUNMGIPJFSK-INIZCTEOSA-N	412.509	3.698	10	20	HHCD	
CC[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)c(Cl)c1O	775488982	LMFKECYZQCFOHN-CRAIPNDOSA-N	405.391	3.948	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N(C)C)cc1	775579991	GEDCSUBGEIYRQB-HXUWFJFHSA-N	405.539	3.673	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1F	776652062	NOOQTGMWYWFSTF-OAHLLOKOSA-N	407.530	3.791	10	20	HHCD	
COC(=O)[C@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccc(OC)cc1	779177603	CVDWFCOWFHYDRZ-HSZRJFAPSA-N	407.466	3.984	10	20	HHCD	
CC(=O)NCCN(Cc1cc(-c2ccccc2)ccc1O)[C@@H](C)C(=O)OC(C)(C)C	781530263	XACYWZHOFJQZRC-KRWDZBQOSA-N	412.530	3.728	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cccc(C)c2F)nc1-c1ccccc1	781646426	LEOMSKWVKHJISW-UHFFFAOYSA-N	420.487	3.774	10	20	HHCD	
CSc1nnc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)s1	783059481	LFERLQCVZZFNPX-UHFFFAOYSA-N	417.560	3.831	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F	784747058	RLDKWSZPHNXLTN-SJORKVTESA-N	420.391	3.955	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C=C(\C)c3cccc(Cl)c3)cc2)CC1	786256738	VQNMRDBAMSKJNK-SAPNQHFASA-N	411.933	3.728	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nnnn1C1CCCCC1	787785636	JTWOUMOOHXYZTK-CYBMUJFWSA-N	412.519	3.726	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCc2ccccc21	788931820	GWKJUQZWFFMSRU-QHCPKHFHSA-N	405.542	3.829	10	20	HHCD	
CC[C@@H]1NC(=O)N(c2cccc(NC3CCN(c4ccc(OC)cc4)CC3)c2)C1=O	793347116	NEOZFMDQGOOWPF-NRFANRHFSA-N	408.502	3.611	10	20	HHCD	
COc1cc(Br)cc(CN[C@H](C)CCNC(=O)OC(C)(C)C)c1O	793602128	UHOICLBUJJBAAR-LLVKDONJSA-N	403.317	3.556	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c(O)c1	794382429	BPBLETJZMRDKKE-DEOSSOPVSA-N	420.509	3.554	10	20	HHCD	
Cc1cc(S(=O)(=O)NCCN[C@@H](C)c2cccc(C(F)(F)F)c2O)c(C)s1	798182937	WSKNPFIHYZLGHQ-NSHDSACASA-N	422.494	3.718	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cc(F)ccc3Cl)cc2F)C[C@H](C)O1	800870811	WNDSKUGHZPLRTH-KBPBESRZSA-N	424.875	3.927	10	20	HHCD	
C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccsc1	801018082	PENGWUBCEVDQAB-NSHDSACASA-N	406.419	3.923	10	20	HHCD	
CN(C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C1Cc2ccccc2C1	803676926	WJZFPWSEHYWRBU-UHFFFAOYSA-N	419.569	3.698	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(Cc3cccc(F)c3)C3CC3)cc2)CC1	805020414	UOMJRHNFQFJUSR-UHFFFAOYSA-N	423.532	3.869	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H](C)Cc2cccs2)cc1	807628110	QXXIZGJHKJYNMO-QGZVFWFLSA-N	401.576	3.548	10	20	HHCD	
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	808502441	INIYDQVSLYDUDE-LJQANCHMSA-N	421.463	3.829	10	20	HHCD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1	812716922	FBAUNKWFVQGKQF-XLIONFOSSA-N	421.557	3.788	10	20	HHCD	
CCNC(=O)NC(=O)[C@H](C)SC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814771777	FORPJCANDSMQBG-CEITULEQSA-N	419.553	3.839	10	20	HHCD	
O=C(Nc1ccc([C@H]2CCOC2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	815361845	VQTNTYHOTGKKEH-IBGZPJMESA-N	420.465	3.657	10	20	HHCD	
CCn1ccnc1S[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	821686094	MQKQHQCUNURPSA-ZDUSSCGKSA-N	405.479	3.798	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2Cc2ccccc2)c1	844256969	FDTJTJFLAXLTMZ-DEOSSOPVSA-N	408.542	3.634	10	20	HHCD	
CC(C)(C)C(=O)COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	913359853	FHNRXIOJBOCGBX-JLHYYAGUSA-N	411.570	3.888	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c(C)n1-c1ccccn1	914849022	BIMDYARMSWSRGT-GOSISDBHSA-N	400.486	3.552	10	20	HHCD	
COCCOCCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	914878482	IWLRHMPBZUIZEK-UHFFFAOYSA-N	409.324	3.640	10	20	HHCD	
O=C1/C(=C\NCc2ccc(N3CCCC3)cc2)c2ccccc2C(=O)N1c1ccccn1	915186301	QPAHNXVFEITCDW-NKFKGCMQSA-N	424.504	4.000	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@H](C)CCc3ccccc3)CC2)cc1	915883483	MPQZTWIBAKNHMA-OAQYLSRUSA-N	424.589	3.528	10	20	HHCD	
C[C@@H](Cc1ccco1)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916511751	VZXVJRWSAZIEGX-AWEZNQCLSA-N	411.424	3.565	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cnc21	916681474	GXKSPKBUMJHXDJ-LJQANCHMSA-N	409.490	3.931	10	20	HHCD	
COc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	916732607	WVQKGMMHYFWGGH-KRWDZBQOSA-N	400.544	3.671	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1c(F)cccc1F	918100752	BHVRDBZAHDEWHP-OAHLLOKOSA-N	403.473	3.734	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC)cc1C(F)(F)F	918307356	UEYOKTFIRGHGSV-UHFFFAOYSA-N	423.435	3.767	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2ncsc2c1	918311585	UWENZKUWEBLASL-UHFFFAOYSA-N	408.527	3.884	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(NC(=O)NC(C)C)cc3)CC2)cc1	918368648	AWYLRHAFJIQLFY-UHFFFAOYSA-N	410.518	3.578	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCN([C@H](C)c4ccccc4)C3)CC2)cc1	919784532	KVKJOVQKNQOGMY-IRLDBZIGSA-N	422.573	3.752	10	20	HHCD	
CN(Cc1cscn1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	920280324	MCVVGFAVYOVLTK-ZSOIEALJSA-N	423.610	3.845	10	20	HHCD	
CC(C)COc1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	920455469	HBQDONQDRSFRHU-UHFFFAOYSA-N	400.494	3.752	10	20	HHCD	
O=C(NCCc1coc(-c2ccccc2)n1)NCc1ccc(N2CCSCC2)cc1	1115956743	OKSIYQQZPPIAFE-UHFFFAOYSA-N	422.554	3.937	10	20	HHCD	
CC(C)[C@]1(CO)CCN(Cc2cc(Br)cc(Br)c2O)C1	1324209441	VRHOXFRRXKICDL-OAHLLOKOSA-N	407.146	3.758	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)[C@@H]3OCCc4sccc43)CC2)cc1	1326311501	NOCZCSQYLQBQNI-IERDGZPVSA-N	400.544	3.746	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](CO)CC2CCOCC2)c(C)n1-c1cccc(Cl)c1	1326461521	UFYMFHRJJVBFDY-GOSISDBHSA-N	404.938	3.903	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccncc2)C3)cc1	1845398229	MODWIRYFUFHFGK-UHFFFAOYSA-N	414.509	3.620	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](c2ccccc2)O1	149611067	MHDAYRLDMBJEKY-PGRDOPGGSA-N	411.571	3.911	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([S@](C)=O)cc2)C1	435816596	HXEPPHHWKGEOEX-LJAQVGFWSA-N	409.555	3.784	10	20	HHCD	
CC1=CC(NC(=O)c2cccc(F)c2)=S=C1C(=O)Nc1ccc(-c2ncco2)cc1	500386948	OLVOZVANQNQFFZ-UHFFFAOYSA-N	421.453	3.845	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc(OC)c(F)c3)C2=O)oc1C	726630036	RWCWVERBVYPSES-OVCLIPMQSA-N	407.444	3.928	10	20	HHCD	
Cc1ccc2oc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cc2n1	729177597	UAJIXEYVLXUZPX-UHFFFAOYSA-N	419.403	3.922	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)CC1	731016079	MIIVOPNUQYNRPR-UHFFFAOYSA-N	419.485	3.947	10	20	HHCD	
C[C@H]1C[C@H](C)CN(C(=O)CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)C1	731036915	SEFMQYWHMLEYSC-ROUUACIJSA-N	415.578	3.968	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1	734016910	NJKNTJVESQKIJF-UHFFFAOYSA-N	423.465	3.927	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1	734740862	UYMBHGPWGOBWEH-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3csc(Nc4ccccn4)n3)CC2)cc1	736074427	VRMUHZRINGTSLM-UHFFFAOYSA-N	409.515	3.689	10	20	HHCD	
CCN(CC)c1ccc(/C=C2/N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)cc1F	739455112	GBQHDHVPYUAGES-LFIBNONCSA-N	413.405	3.933	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccnc1Oc1ccccc1	741097124	LIUKTBJBAFFEIP-UHFFFAOYSA-N	414.465	3.505	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)ccc1[N+](=O)[O-]	742800360	JGZBQGLHEPQGNM-CYBMUJFWSA-N	409.364	3.734	10	20	HHCD	
COCCOC[C@H]1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	742829817	BDWNOVTVNFDDRS-SFHVURJKSA-N	404.938	3.802	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)o1	748091863	ODUOJUULMDAFPR-UHFFFAOYSA-N	410.448	3.828	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C2CC2)cc1	748446836	GVYKPLVFVIEMOF-UHFFFAOYSA-N	412.509	3.925	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1	751317808	HJANBXACCHWDSM-LBPRGKRZSA-N	421.906	3.588	10	20	HHCD	
Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751930188	BFMXMTKLJGVLSR-INIZCTEOSA-N	423.538	3.529	10	20	HHCD	
CC[C@@](C)(COc1ncccc1Cl)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	752854620	KMFXVAUMAIKFMS-QFIPXVFZSA-N	418.969	3.597	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/C(=O)Nc1ccc2n[nH]cc2c1	752936440	ZCURNDSDJZFOET-VAWYXSNFSA-N	417.513	3.707	10	20	HHCD	
CS(=O)(=O)CCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1	753249465	MIUHNIUYIQMXSZ-UHFFFAOYSA-N	400.504	3.550	10	20	HHCD	
COc1ccc(-n2c(C)cc(CN(C)Cc3cn(Cc4cccnc4)nn3)c2C)cc1	753543738	DOGKRPUIVXRRCN-UHFFFAOYSA-N	416.529	3.770	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3coc(-c4ccc(C)cc4)n3)CC2)cc1F	753939080	GTZIKRABQPTPHG-UHFFFAOYSA-N	424.476	3.830	10	20	HHCD	
C[C@H](NCC1CCN(CCN(C)C)CC1)c1cc(Br)cc(Cl)c1O	756532007	CWYGDZWEAWHVOB-ZDUSSCGKSA-N	418.807	3.732	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1c(F)cc(Cl)c(C)c1F	761881145	PIUWEAPUYNHIBF-UHFFFAOYSA-N	409.864	3.980	10	20	HHCD	
O=C(NCCc1ccc(F)cc1Cl)NCc1cccc(Br)c1O	764777586	ANKOICIGTKTUQU-UHFFFAOYSA-N	401.663	3.989	10	20	HHCD	
COc1cc(C)c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C	772930150	TTXOCNREFBWYKD-UHFFFAOYSA-N	408.454	3.778	10	20	HHCD	
COc1cccc([C@@H](C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1	774855865	NRXAUISVUPVKFS-OAHLLOKOSA-N	414.461	3.760	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1	775114167	IDWIETPDCRGPFW-LJQANCHMSA-N	415.537	3.878	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2COC3(CCOCC3)O2)c(C)n1-c1ccc(C(C)C)cc1	777425153	DETTWHVIXUODPG-NRFANRHFSA-N	412.530	3.869	10	20	HHCD	
C[C@H]1CN(c2ccc(N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)cn2)C[C@@H](C)O1	777704432	KERVCTXEFHTRQY-FGTMMUONSA-N	414.525	3.844	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCN3c3ccccc3)cc2F)C[C@@H](C)O1	782677117	QYWXABHHVBSVPW-PNCHPQGNSA-N	411.521	3.725	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(SC)cc1	785192361	LAVKDQLZOIKTNW-UHFFFAOYSA-N	423.332	3.864	10	20	HHCD	
Cc1cscc1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	785640948	UNLXHKIKPZGYDD-UHFFFAOYSA-N	406.419	3.670	10	20	HHCD	
CCN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cn1	790107414	GZXCXKWDVYBSAW-LICLKQGHSA-N	412.540	3.902	10	20	HHCD	
Cc1nc2ccc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc2n1C	793691035	ZRKBAZAZRSXVEA-GOSISDBHSA-N	412.921	3.635	10	20	HHCD	
CCOc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	793833079	ZDEHEEJXLRFPKI-GOSISDBHSA-N	411.546	3.766	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1	796705261	HDBMFNMBRBEYBI-UHFFFAOYSA-N	418.318	3.610	10	20	HHCD	
COc1ccc(CS(C)(=O)=O)cc1N[C@@H](C)c1cc(Br)ccc1O	797039682	ZRLFPYQXVIAHIL-NSHDSACASA-N	414.321	3.881	10	20	HHCD	
CC(C)[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1	797833039	SPEXOSXXSSHBEI-FQEVSTJZSA-N	421.463	3.993	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNS(=O)(=O)C[C@H]3CCCCO3)cc2Cl)C1	800148476	MJPWMZOWLCRJMP-DOTOQJQBSA-N	400.972	3.565	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3ccc(F)cc3)cc2Cl)C1	800571457	JXLWEAVDZAZCKN-HNNXBMFYSA-N	417.912	3.648	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](CCO)C3CCOCC3)cc2Cl)C1	800719234	IIXXRHZTEPWWKT-OXQOHEQNSA-N	423.985	3.553	10	20	HHCD	
CCc1nc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n[nH]1	800721161	YBCVUQDOHOWMON-KBPBESRZSA-N	404.946	3.817	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3OCO4)n2)cc1[N+](=O)[O-]	800926603	RYPAREXMHBHCCV-UHFFFAOYSA-N	419.440	3.556	10	20	HHCD	
COc1ccc(C2=NO[C@@H](CNC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)cc1F	801357021	NVHVVSCEAFYAJN-QGZVFWFLSA-N	422.460	3.560	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(Cl)cc2)cc1F	804851785	OVNBGNGNSPXPCF-UHFFFAOYSA-N	405.901	3.600	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)c2nncn2C)c(C)n1-c1ccc(Br)cc1	805386064	GEZONOJSIOIFEJ-ZDUSSCGKSA-N	403.280	3.903	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)[C@H](OC)c1ccccc1Cl	806860654	UMQNQLMRFWBEMY-QRWLVFNGSA-N	418.921	3.677	10	20	HHCD	
COc1ccc(Cn2cc(NC(=O)NCCCSc3nccs3)cn2)cc1	806961227	MRIUHCUUIMGINX-UHFFFAOYSA-N	403.533	3.700	10	20	HHCD	
O=C(CCCc1nc(O)c2ccccc2n1)NCc1cc(Cl)cc(Cl)c1O	807839124	IASFRIQIVMRUAN-UHFFFAOYSA-N	406.269	3.987	10	20	HHCD	
CCn1c(S)nc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2c1=O	807839972	OCEQPEBAYLFXIU-UHFFFAOYSA-N	424.309	3.648	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1Br	808113969	OOAZAUHWTOVRAT-UHFFFAOYSA-N	410.648	3.757	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(F)cc1CSC	809144737	GWDIGKABDKINQG-UHFFFAOYSA-N	418.534	3.839	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1O	809703038	CKCYJWZKCNXTQU-CQSZACIVSA-N	401.246	3.829	10	20	HHCD	
Cc1cccc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)c1	812393861	JPOVHTKCHLGNNJ-GOSISDBHSA-N	408.502	3.544	10	20	HHCD	
Cc1ccsc1/C=C1\SC(=S)N(c2cccc(S(=O)(=O)N(C)C)c2)C1=O	814274777	BERFYPBSPFXPIT-GDNBJRDFSA-N	424.594	3.713	10	20	HHCD	
O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	819421719	LCDWQYCBWPZJKQ-INIZCTEOSA-N	415.433	3.781	10	20	HHCD	
Cc1sc2ncn(CC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c(=O)c2c1C	914505928	SXXIHPVEBRCXAO-UHFFFAOYSA-N	412.559	3.578	10	20	HHCD	
Cc1ccsc1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	914529219	CHNHBIDLWXWYSN-UHFFFAOYSA-N	406.419	3.670	10	20	HHCD	
Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915780415	VFXSHKPCGDSQLR-IBGZPJMESA-N	402.458	3.968	10	20	HHCD	
O=C(Nc1ccc2c(c1)OC(F)(F)O2)N(Cc1ccccc1O)C[C@@H]1CCCO1	916672968	AKQCKTJLCYCZQY-HNNXBMFYSA-N	406.385	3.927	10	20	HHCD	
Cc1cc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(C)n1-c1ccccn1	917124306	JBHKZZILBHNKKR-QGZVFWFLSA-N	408.546	3.600	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ncc(C(=O)N(C)C)cc3Cl)cc2F)C[C@H](C)O1	917523543	DXZHAJMIMIPFHN-KBPBESRZSA-N	420.916	3.802	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1cccs1	917619614	NLJUYIAKQRQQGT-OVCLIPMQSA-N	421.521	3.622	10	20	HHCD	
Cc1ccccc1-c1csc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)n1	917886430	UTDJQZIYVQUPKY-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccccc3CN3CCCC3)CC2)cc1	918001020	BFYKZGTXWAVAJM-UHFFFAOYSA-N	422.573	3.713	10	20	HHCD	
O=C(NCCc1cccc(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1	918189778	XYHMZDXOZLWRCI-UHFFFAOYSA-N	401.938	3.591	10	20	HHCD	
CCN(CC)Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	920870068	YMWRTJNNJHEALC-FQEVSTJZSA-N	424.589	3.925	10	20	HHCD	
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	1319941665	MICWWNFIWAMPMG-INIZCTEOSA-N	411.531	3.857	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCN2C(=O)COc3ccccc32)c1	1321475931	TYLWMWPVTDZWJE-UHFFFAOYSA-N	423.900	3.903	10	20	HHCD	
COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2c(Cl)ccc3nonc23)CC1=O	1342949432	BXVIIFBYTPFKDC-SECBINFHSA-N	421.240	3.530	10	20	HHCD	
O=C(N[C@H]1COc2c(F)cc(F)cc2C1)N(Cc1ccco1)Cc1ccccc1O	1349217316	DADLSAPERNSLMZ-QGZVFWFLSA-N	414.408	3.979	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccccc1	1790211348	SEKKTWZBRCAIRY-UHFFFAOYSA-N	403.438	3.554	10	20	HHCD	
COc1cc2ccccc2cc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	8067688	UWSVBRONMFGKPW-UHFFFAOYSA-N	406.482	3.730	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(N2CCCC2=O)c1	65989795	ALBMDFVHQLLWKU-GOSISDBHSA-N	406.530	3.974	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1	72083898	ZRUIHYDNSJAPBO-UHFFFAOYSA-N	424.545	3.527	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	97307488	GNEWHCWPCPGDPA-UHFFFAOYSA-N	419.529	3.990	10	20	HHCD	
COc1ccc(-c2nnc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)[nH]2)c(OC)c1	109842681	NOLBAAQJZOEELX-UHFFFAOYSA-N	418.457	3.544	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(C(=O)Nc4ccccc4)nn3)CC2)cc1	301261362	GYVCBFATEOKJLN-UHFFFAOYSA-N	403.486	3.818	10	20	HHCD	
CNc1c(Cl)ncnc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F	302537192	GXJKQDOPUKXTKJ-UHFFFAOYSA-N	401.820	3.639	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)c3cccc(F)c3)cc2F)CC1	303738953	XSRXLRSZUDEYLB-QGZVFWFLSA-N	401.501	3.917	10	20	HHCD	
CCc1c(C(F)(F)F)noc1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1	476718070	OXHMNMMIMVKJSF-UHFFFAOYSA-N	409.389	3.724	10	20	HHCD	
C[C@H]1CN(C(C)(C)CNC(=O)N(Cc2ccco2)Cc2ccccc2O)C[C@@H](C)O1	726091152	HGUVDHSAQGOECT-HDICACEKSA-N	415.534	3.585	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(C)n(-c4nccs4)c3C)CC2)cc1	726563642	PYJLKSHAJRBBFV-UHFFFAOYSA-N	410.543	3.958	10	20	HHCD	
CC(=O)c1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1	728839261	AMDYDFUFJRJBDL-UHFFFAOYSA-N	408.420	3.925	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)cc1	729172758	XOALERGZTATGMH-KRWDZBQOSA-N	420.550	3.883	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccc(F)cc3)cc2F)CC1	730194109	JZWKOCLFLDSITB-QGZVFWFLSA-N	401.501	3.917	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)c2C)cc1	730230875	XVNOVTKYBLVVIB-KRWDZBQOSA-N	413.518	3.842	10	20	HHCD	
CC(C)(C)n1nccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	730484203	QAKRXONWRHRQLK-UHFFFAOYSA-N	418.409	3.574	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(Cl)ccc3F)cc2)CC1	731131586	OFSFMWYLILCRNJ-UHFFFAOYSA-N	403.885	3.970	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(C)c(C(=O)NC(C)C)c3)CC2)cc1	731281735	SNTULZPXPWSMCR-UHFFFAOYSA-N	424.545	3.886	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H](O)c1ccc2ccccc2c1	731498414	MOSWBVHVVRZGHW-HSZRJFAPSA-N	421.566	3.926	10	20	HHCD	
CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2C)nnc1-c1cccs1	734407383	RFXNADQQFXEFBU-UHFFFAOYSA-N	415.588	3.809	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)Cc3ccc(C)s3)cc2F)CC1	738500522	OHZABSNOKSXASO-MRXNPFEDSA-N	418.582	3.768	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](O)c1ccc(Cl)cc1Cl	740919346	NZRIAZFBBGXXRH-LJQANCHMSA-N	406.313	3.902	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	742476322	WAHPUPTUSCBLHB-OAQYLSRUSA-N	423.532	3.985	10	20	HHCD	
Cc1csc([C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)n1	743565357	VWNPQLMGGQVDOG-HNAYVOBHSA-N	400.548	3.800	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)Oc2cccc(Br)c2)c1	743699586	ISSVDNXSXKSRER-QWHCGFSZSA-N	423.307	3.991	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCNC(=O)c1ccc(Cl)cc1	745432479	CMGFKWQQQMIPCZ-UHFFFAOYSA-N	416.953	3.756	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1CN(C(=O)OC(C)(C)C)C1	746015951	CIMQFMZTYCKFKM-UHFFFAOYSA-N	401.551	3.892	10	20	HHCD	
C[C@@H](c1ccccc1)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1	746115202	POFNNGOFDQEHTG-SFHVURJKSA-N	411.521	3.504	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C2CC2)cc1	746118143	RSHCNRKZVCOTLN-LJQANCHMSA-N	412.578	3.608	10	20	HHCD	
C[C@@H](SCC(=O)NCc1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1	746593122	ARUGUFRZQAGHHN-MRXNPFEDSA-N	410.543	3.510	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OCC)cc3)cs2)o1	748091891	PTSBIXVJJOLQOM-UHFFFAOYSA-N	422.484	3.779	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)c1	754469720	VNQVABZRMDMYAP-MRXNPFEDSA-N	407.470	3.802	10	20	HHCD	
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	754551000	HQUQEFOYIGZWRA-UHFFFAOYSA-N	402.381	3.812	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)CSc3nc4ccccc4s3)CC2)cc1	758197874	RAKNMWQOGVVCEE-KRWDZBQOSA-N	415.584	3.580	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1noc(Cc2ccccc2)n1	759582137	AAWJXHWAVJIIGM-CYBMUJFWSA-N	403.533	3.660	10	20	HHCD	
C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1nc(-c2ccccc2)no1	760331202	IYZFATJTSDXRRV-HNNXBMFYSA-N	406.486	3.924	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@@H]1CCNC(=O)C1	760384355	MDVSISIOEMQRKJ-RDTXWAMCSA-N	419.447	3.824	10	20	HHCD	
CCCCOc1ncccc1CNC(=O)NCc1cccc(Br)c1O	765476052	JLZBZDFMIUQCGP-UHFFFAOYSA-N	408.296	3.728	10	20	HHCD	
O=C(c1ccoc1)N1CCC(NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	765642449	QXXCEKPJQKSFDS-UHFFFAOYSA-N	419.472	3.744	10	20	HHCD	
COc1cc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1SC	765978011	ASZYXGNKZAMQBA-INIZCTEOSA-N	420.600	3.503	10	20	HHCD	
CCCN(CCc1cccs1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	766087001	MQBYMTNCSNSMQJ-UHFFFAOYSA-N	405.539	3.888	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1C	766946672	QUDAOIKBJNWJED-QPPBQGQZSA-N	420.557	3.907	10	20	HHCD	
CCOc1ccc(O)c(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1	768251861	MDJQFQFLLHVPSB-UHFFFAOYSA-N	408.420	3.768	10	20	HHCD	
COc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccco1	769040030	KAEPVYPDWPSCBA-QHCPKHFHSA-N	421.497	3.714	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2c(s1)CCOC2	771055183	BHDQHOSSTRQQBP-MRXNPFEDSA-N	406.935	3.574	10	20	HHCD	
CC[C@H](O)CN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	772597756	CAPOIZUVCKXWFL-XXBNENTESA-N	411.546	3.567	10	20	HHCD	
COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	772701645	QJYWPLNZRWRUEE-AZUAARDMSA-N	409.548	3.589	10	20	HHCD	
Cc1csc([C@](O)(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C(F)(F)F)n1	775411922	RUHIKMVCGRCGTG-SJKOYZFVSA-N	401.454	3.535	10	20	HHCD	
COc1ccc(O)c(CNC2CCN(Cc3ccc(Br)cc3)CC2)c1	776248710	MYQJZCAOHLEGBA-UHFFFAOYSA-N	405.336	3.918	10	20	HHCD	
Cc1nn(C)cc1[C@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	777302419	PIGWNAUGIKEGHH-MGPUTAFESA-N	401.555	3.711	10	20	HHCD	
CC[C@H](C)n1nc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C	777946685	GTFQVXCOHMDMAV-AWEZNQCLSA-N	424.467	3.948	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1	784030680	UESKGRDASMNAGC-UHFFFAOYSA-N	405.454	3.957	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)nn1-c1ccc(Cl)cc1Cl	784567343	LPHQUDZYVQRNFV-UHFFFAOYSA-N	421.236	3.938	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Nc3cc(Cl)ccc3C)cc2)CC1	786048564	BPMIQKWPXTZWGZ-UHFFFAOYSA-N	400.910	3.639	10	20	HHCD	
CCCC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(OC)cc1	788938244	QIFJRGORPCKCFX-QHCPKHFHSA-N	423.557	3.959	10	20	HHCD	
CCC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1	792052398	SEZGOSIZPWXEQD-YFXJRYMSSA-N	411.546	3.786	10	20	HHCD	
Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)ccc1O	793609974	AGJMRQUXYDSHKA-MRXNPFEDSA-N	406.914	3.573	10	20	HHCD	
CCC[C@]12CCCN1C(=O)N(Cc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)C2=O	794770889	DEVMKMVRQGRBMU-PONJGIIJSA-N	403.498	3.536	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C	796335724	ZFMJPFIWGRYEHD-DEOSSOPVSA-N	410.514	3.733	10	20	HHCD	
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	797649177	ZTENKNHRYGLGOH-OLZOCXBDSA-N	408.882	3.918	10	20	HHCD	
Cc1ccc([C@@H](C)N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1	803309468	XQUUVGOTDMPTPI-VQTJNVASSA-N	423.557	3.537	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CCCOc2ccccc21	804063759	AKKZGFNWVPGBJJ-QFIPXVFZSA-N	421.541	3.665	10	20	HHCD	
COCc1cnc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	806611513	VPZXSMFRZKOGLF-UHFFFAOYSA-N	412.462	3.681	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(c2ccccc2)CCCC1	808694380	CXKIFFPGVZKVLJ-FQEVSTJZSA-N	412.599	3.912	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1	809286798	CTGKGJLNYNHGBO-SFHVURJKSA-N	419.525	3.594	10	20	HHCD	
COc1ccc(-c2nsc(NC(=O)NCCCSc3nccs3)n2)cc1	809925789	CMEUZWUOAPSUTR-UHFFFAOYSA-N	407.546	3.974	10	20	HHCD	
O=C(NC1CCCC1)OC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1	811510553	JNRHAGYICGEESP-HXUWFJFHSA-N	419.541	3.686	10	20	HHCD	
C[C@@H]1CN(c2ccnc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)C[C@@H](C)O1	813685019	REAXZKMPSAHCNA-VXGBXAGGSA-N	410.301	3.638	10	20	HHCD	
O=C(C1CCC(OC[C@H]2CCCO2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	815860616	TWPWWHWQBVNBCZ-WTXPMHKTSA-N	417.546	3.654	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccn(-c2ccc(Br)cc2)n1	817820101	DTBVICDCIFYNRR-WAPJZHGLSA-N	400.232	3.698	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCOc1ccc(F)cc1	819519230	QCGUZLIMVLTGSQ-UHFFFAOYSA-N	416.493	3.983	10	20	HHCD	
CCC(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	918293875	GRAWARWTZXFAMD-UHFFFAOYSA-N	421.453	3.501	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c(C)n1-c1cccc(Cl)c1	919978043	UKVCSBKKULZFQE-UHFFFAOYSA-N	424.932	3.909	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1	108244289	KTFWBEIXVWOOHK-KRWDZBQOSA-N	407.297	3.962	10	20	HHCD	
COC(=O)c1sc2nc(CN(c3ccc(OC)c(F)c3)C(C)C)[nH]c(=O)c2c1C	116605511	JGLHOWAKICUBHO-UHFFFAOYSA-N	419.478	3.642	10	20	HHCD	
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc(O)c(O)c1	23599358	YQEZZFBERBDAGO-UHFFFAOYSA-N	418.478	3.775	10	20	HHCD	
CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	30502833	CYKQWOGCBNPCTC-UHFFFAOYSA-N	415.559	3.764	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1)C1=S=CC=C1	469470931	RCWNOSZGEIVUSX-UHFFFAOYSA-N	415.474	3.714	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1	808489290	LDKBTQVWMQABRP-LJQANCHMSA-N	423.435	3.934	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(Cl)c(F)c2)cc1F	804852975	JWVQANYTNVJODG-UHFFFAOYSA-N	423.891	3.739	10	20	HHCD	
Cc1c(CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)n(C)c2ccccc12	472182114	MBMTXOABFLQPPU-UHFFFAOYSA-N	419.934	3.543	10	20	HHCD	
CCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	801967932	QEPJMZHERKXYPJ-UHFFFAOYSA-N	409.509	3.501	10	20	HHCD	
COc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800635908	AVTATWFIQFBBKT-OAHLLOKOSA-N	415.921	3.840	10	20	HHCD	
O=C(NCCCSc1nccs1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21	806958462	IJXVHPSMGVTTBT-KURKYZTESA-N	403.573	3.839	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccc2ncsc2c1	807565376	KJCREMRZHYADOW-HNNXBMFYSA-N	410.543	3.588	10	20	HHCD	
CC(C)(CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1	804695351	JEDMVRZMDXKFMC-UHFFFAOYSA-N	424.472	3.747	10	20	HHCD	
O=C1/C(=C/c2cscc2C(F)(F)F)SC(=S)N1CCCN1CCOCC1	811624445	FKCUZSVDTSHBFN-JYRVWZFOSA-N	422.519	3.690	10	20	HHCD	
CCNC(=O)COc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1	482548703	IVGNLNGSSWUEMP-UHFFFAOYSA-N	423.513	3.672	10	20	HHCD	
COc1cc(O)c(CNCCc2c[nH]c3cccc(Br)c23)cc1OC	811513094	VXRMTFBXOMNSQP-UHFFFAOYSA-N	405.292	3.986	10	20	HHCD	
CCCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1	482962103	KQOAJAPUXINNHY-UHFFFAOYSA-N	421.541	3.974	10	20	HHCD	
CC[C@@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@H]1CCOC1	812409527	RYRJHFAUODLTQS-MOPGFXCFSA-N	413.566	3.553	10	20	HHCD	
C[C@@H]1CN(C(=O)CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)CCO1	814772870	HFGGMUVMQPBQPL-GGNJANJASA-N	418.565	3.852	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)C2	728836918	JLQRUBCTAGNLCZ-KRWDZBQOSA-N	422.447	3.903	10	20	HHCD	
COc1ccc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1OC	726084678	PAGKPSOBGMSCLF-UHFFFAOYSA-N	410.470	3.957	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cc1	728596646	MLVDVHBWEJOQAH-UHFFFAOYSA-N	413.537	3.811	10	20	HHCD	
C/C(=C/C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1Cl	727308341	KVLJABTURNNPHS-ZUTYSQTGSA-N	411.933	3.761	10	20	HHCD	
CC(C)(C)c1ccc([C@H](O)CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	726873065	OBIAUUIFFCHIER-HSZRJFAPSA-N	410.558	3.951	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc(N4CCCCC4)cc3)CC2)cc1	726707538	ABITWDODSZANEC-UHFFFAOYSA-N	422.617	3.987	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1C	731299116	QCDYEZAHZDMYEB-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc4cnccc34)cc2)CC1	731131882	ONBKQJITIIOCOK-UHFFFAOYSA-N	402.498	3.726	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(C(=O)c2ccccc2)C1	731184473	FJVORQJXZNOOIZ-QFIPXVFZSA-N	405.542	3.846	10	20	HHCD	
Oc1ccc(Br)cc1CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	734843300	ITMLEINTRIUAFA-ZBFHGGJFSA-N	404.226	3.779	10	20	HHCD	
Cc1ccccc1CS(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	732219968	QGVVEBHFPDBJDY-UHFFFAOYSA-N	410.486	3.685	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc2)C1	918118237	PQMCNMSYDGLQTA-UWHLTILDSA-N	412.578	3.546	10	20	HHCD	
Cc1cnc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)o1	744678008	RVMVXCSLXIVRNS-JYRVWZFOSA-N	408.526	3.769	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2ccco2)[nH]n1	742798673	BPHHSRXFETUCQF-CYBMUJFWSA-N	402.401	3.670	10	20	HHCD	
CSCCCN1C(=O)/C(=C\c2cc3c(cc2OC(F)F)OCO3)SC1=S	743279666	JYVMUOJOZJXHSQ-AWNIVKPZSA-N	419.496	3.971	10	20	HHCD	
C[S@@](=O)Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742798095	JGFBVIIPWUMFJO-CQGGRAHPSA-N	422.497	3.565	10	20	HHCD	
O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N(Cc1ccco1)Cc1ccccc1O	743429937	BYSOVRDQOMQXBW-KRWDZBQOSA-N	408.429	3.706	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1	746321274	JXWVYKVEOGNAHV-PKTZIBPZSA-N	409.505	4.000	10	20	HHCD	
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cccc(N2CCCCCC2)c1	741136153	GWZHNKYOYLWATD-UHFFFAOYSA-N	422.572	3.580	10	20	HHCD	
CCN1CC[C@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C[C@H]1C	748967813	JYKUAGFXIAVNPN-APWZRJJASA-N	424.536	3.771	10	20	HHCD	
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	914439691	NCDWXGXOYNIVJO-DEOSSOPVSA-N	405.542	3.780	10	20	HHCD	
C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)CN1CCCCC1	745681787	VTKZGSUTHJPZQA-ROUUACIJSA-N	424.536	3.678	10	20	HHCD	
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	914612577	AMGUWYWMTISZBN-HSZRJFAPSA-N	418.541	3.601	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccc(CN3CCCC3=O)cc2)C2CC2)cc1	918119560	FIXZLQNOACMODT-UHFFFAOYSA-N	420.557	3.749	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)c1	740071185	XYKQXFMNMIYNPI-WLYUNCDWSA-N	407.511	3.597	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCC[C@@H]3C(=O)Nc4ccccc43)c2C)cc1	744469967	MAJYPTJVXWBSEI-FQEVSTJZSA-N	403.482	3.959	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1C	744069483	PGNLZFDIRDVBSY-JOCHJYFZSA-N	401.510	3.933	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1)c1ccc(N2CCOCC2)cc1	745779655	PPCIZTFSLYKTDK-RTBURBONSA-N	419.529	3.830	10	20	HHCD	
Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	740919622	DJARXZXCXNWBQK-NRFANRHFSA-N	408.521	3.979	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ccc(Br)o1)c1ccc(N2CCOCC2)cc1	920921377	DFXZKGNEYWSDRA-CQSZACIVSA-N	422.323	3.781	10	20	HHCD	
C[C@H](NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(Br)c(F)cc1O	756570850	BSYAINCVWYEOKQ-JSGCOSHPSA-N	401.320	3.588	10	20	HHCD	
O=C(COCc1nc2ccccc2s1)N(Cc1ccccc1O)C[C@@H]1CCCO1	751293948	JKDPXYLLNMHZPA-KRWDZBQOSA-N	412.511	3.726	10	20	HHCD	
C[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1ccc(Br)cc1O	756601770	AUORLCJDEIICGW-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	759003308	OFDUFZZUUVUKRL-FXAWDEMLSA-N	423.579	3.838	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nc(O)c2ccccc2n1	751944703	JIGKIENLTICCIP-GFCCVEGCSA-N	406.467	3.883	10	20	HHCD	
CC(C)c1c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1ccccc1	753813455	UTIQAQDBHBYSJD-UHFFFAOYSA-N	419.529	3.659	10	20	HHCD	
O=C(Nc1cnn(-c2ccccc2F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	755836016	DRXWASGKUNJMEU-GOSISDBHSA-N	410.449	3.930	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@](C)(O)c3cccc(C(F)(F)F)c3)CC2)cc1	754848869	NBUOTNMTPRMJGI-OAQYLSRUSA-N	422.447	3.660	10	20	HHCD	
Cc1nc(C)n(-c2ccccc2NC(=O)NCc2ccc(N3CCSCC3)cc2)n1	759973257	CEYVOBJXPOMERQ-UHFFFAOYSA-N	422.558	3.759	10	20	HHCD	
C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc(Br)ccc1O	756601690	ABJSNTBHMUJDQL-XAUMDUMWSA-N	419.363	3.688	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(c2cc(F)ccc2F)CC1	750281499	ZXVRLIVGMFVWCJ-UHFFFAOYSA-N	400.473	3.597	10	20	HHCD	
COC1(CN[C@H](C)c2cc(Br)cc(Br)c2O)CCOCC1	756762739	VLJUCQAPKNJTFI-SNVBAGLBSA-N	423.145	3.763	10	20	HHCD	
CN(CCc1nccs1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	753647116	SIESZHWNVKBEAW-AWEZNQCLSA-N	410.490	3.597	10	20	HHCD	
Cc1ccc(N2CC[C@H](OC(=O)c3csc(Cc4ccc(N)cc4)n3)C2=O)cc1	751931036	LKLOWHWQTPSUPQ-IBGZPJMESA-N	407.495	3.587	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCN1Cc1ccccn1	769292131	RERBHIXGDLGXMO-SFHVURJKSA-N	418.335	3.563	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCCCC2)cc1	765332551	RADHUQPLPAWTEC-PGRDOPGGSA-N	423.557	3.652	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	763066490	ZXMXHCKGCNDGLH-UHFFFAOYSA-N	415.490	3.564	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc(F)c(I)c1	763387625	WLSQRLDVJLXSGS-UHFFFAOYSA-N	422.288	3.799	10	20	HHCD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1c(O)cccc1Cl	768179607	IZJFCNQKVUPHIO-KRWDZBQOSA-N	405.878	3.725	10	20	HHCD	
CC(C)(C)c1cc(CN2CCC(C(=O)NCCCO)CC2)c(O)c(C(C)(C)C)c1	768321132	PIVFNSNGKNFJSS-UHFFFAOYSA-N	404.595	3.698	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(N2CCCCC2)c(F)c1	764827875	KYRRFSFLPCYIPN-IBGZPJMESA-N	411.569	3.814	10	20	HHCD	
C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(N2CCOCC2)cc1	769146372	FWFWBCIHPLGIGE-VQIMIIECSA-N	419.566	3.640	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(C(=O)Nc2ccccc2)CC1	769563538	KKKSEMOZIOBPEB-UHFFFAOYSA-N	407.514	3.831	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)c1C	761664786	PTPXTBOIUMCULK-UHFFFAOYSA-N	419.481	3.859	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@H](c3ccccc3)C3CC3)CC2)cc1	765547704	NFUQSRHIKBUAKQ-XMMPIXPASA-N	407.558	3.517	10	20	HHCD	
CCc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1	773612185	KWAXVJBMTRPENH-GOSISDBHSA-N	408.546	3.544	10	20	HHCD	
O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775649595	LYUOSHSXVPRLEO-UHFFFAOYSA-N	401.869	3.553	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccnn1Cc1ccccc1Br	779465580	HRNXOONHPMCDEV-UHFFFAOYSA-N	401.264	3.721	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCc3ncc(C(C)(C)C)o3)cc2F)C[C@@H](C)O1	776340928	KEPXYVYUKLOPJQ-HZPDHXFCSA-N	417.525	3.974	10	20	HHCD	
Cc1cccc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1O	775643107	LWBJGGCSNRHYED-UHFFFAOYSA-N	415.342	3.514	10	20	HHCD	
CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cc(Br)cc(OC)c2O)C1	775200113	JJPBNRWKASVZFD-SFHVURJKSA-N	400.313	3.575	10	20	HHCD	
CCCN(CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1O	772798044	MUCWEKPBEGDZTK-UHFFFAOYSA-N	415.559	3.672	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F	772538412	QZTHLIMPMZLXMT-KSSFIOAISA-N	401.473	3.672	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)c1ccc(N(C)C)cc1	773843703	AHRLGRJYCOEXON-LLVKDONJSA-N	424.726	3.984	10	20	HHCD	
Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1ccc(O)c(O)c1	778916918	RZCBODFDYAZGGZ-UHFFFAOYSA-N	403.232	3.754	10	20	HHCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCO1	778750175	UWMKYGJCQIYFKA-UGKGYDQZSA-N	403.567	3.901	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCc4c(O)cccc43)cc2F)C[C@@H](C)O1	789743416	VPUKPCNMIRMQQV-QINHECLXSA-N	412.505	3.881	10	20	HHCD	
CC[C@H]1C[C@@H](CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1	781604464	MAUBTGQFEMDOKO-YJBOKZPZSA-N	414.468	3.754	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccccc2-n2cccn2)C2CCCCC2)cc1	784060670	HYUIXQMGWARIJA-UHFFFAOYSA-N	403.486	3.759	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cccc(OC)c1O	796403528	SYGMEFTYFHIMHA-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)c3ccc4c(c3)OCO4)cc2F)C[C@@H](C)O1	794237963	GHAZXWSIMCLXSJ-OWCLPIDISA-N	414.477	3.588	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](C)c2nncn2C)c(C)n1-c1ccccc1Br	797756956	HMQXZJKSGBOTFC-GFCCVEGCSA-N	416.323	3.519	10	20	HHCD	
Cc1oc2c(CN3C[C@@H](C)O[C@@]4(CCOC4)C3)c(O)ccc2c(=O)c1-c1ccccc1	794705284	NXBZKDHTTKJIDX-CPJLOUKISA-N	421.493	3.854	10	20	HHCD	
CO[C@@H](C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1cnn(C)c1	798771706	MKXLQDTZOSLZLH-HXUWFJFHSA-N	407.430	3.705	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCc3c(C)nn(CC(C)C)c3C)CC2)cc1	1319396769	BFZQXUDKCKUFGT-UHFFFAOYSA-N	412.578	3.836	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(-n2cnc3ccccc32)nc1	1318722196	KQIYVDHXNBAXTA-UHFFFAOYSA-N	424.508	3.796	10	20	HHCD	
CC(C)OC(=O)C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1	1323817680	VTZVYCGQDPYTIE-JOCHJYFZSA-N	413.537	3.750	10	20	HHCD	
Cc1occc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	5398523	DASWDIXOKFWRQA-ZDUSSCGKSA-N	403.390	3.547	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N	14152200	RUVAPWCWFXWEOZ-CYBMUJFWSA-N	413.499	3.996	10	20	HHCD	
O=S(=O)(Nc1cc(F)c(F)cc1Br)c1cccc2nsnc12	538938766	JFNQIMAYACPLKL-UHFFFAOYSA-N	406.233	3.533	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)Nc3ccc(NC(=O)C4=S=CC=C4)cc3)cc2C)cc1	539633661	MVXADACDUDJEET-UHFFFAOYSA-N	416.506	3.958	10	20	HHCD	
CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1Cl	614867186	BSYPMWWBXIRXHK-UHFFFAOYSA-N	424.935	3.531	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1	727118259	LMAXPVISTORKPE-OAQYLSRUSA-N	409.530	3.731	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2Br)c1	728978118	MSVUENOPCKRUNQ-MNOVXSKESA-N	412.255	3.947	10	20	HHCD	
COc1ccc(CCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(OC)c1	731116652	QCTXNCYQVYEPDN-UHFFFAOYSA-N	411.546	3.982	10	20	HHCD	
COc1ccc(C)cc1-n1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	731859380	UMLHBXVQZSMLHU-IBGZPJMESA-N	421.497	3.716	10	20	HHCD	
CC(C)NC(=O)Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	731859730	YFYIDULPQSFNTL-HXUWFJFHSA-N	411.502	3.744	10	20	HHCD	
Cc1cc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c(C)n1-c1ccccn1	732103981	CSECZCNRVGSTRW-QHCPKHFHSA-N	412.534	3.912	10	20	HHCD	
Cc1nn(C)c2nc(Cl)c(CN(Cc3ccccc3O)C[C@H]3CCCO3)cc12	732202184	ILIALDWPBFABQO-QGZVFWFLSA-N	400.910	3.817	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cc(C(F)(F)F)ccc2F)SC1=S	733369851	OWMJLFITRCKLJH-WQLSENKSSA-N	407.410	3.999	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1	733884806	ZESRCUMGPCFJND-HNNXBMFYSA-N	404.561	3.686	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)NCCCSc3nccs3)c(C)c2)CC1	734512426	JMQAIKWLWHTGEN-UHFFFAOYSA-N	419.620	3.897	10	20	HHCD	
CC1(C)[C@H]2CN(C(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)C[C@H]21	741978316	DDDKDAOTYRKWME-VFZVMDJNSA-N	406.598	3.844	10	20	HHCD	
CC(C)Cn1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1	743223454	MGMJYTIWQZDQCQ-HOTGVXAUSA-N	403.502	3.614	10	20	HHCD	
O=C(NCc1ccc(Cl)nc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743541524	SPQRVVNJGBVCTE-CQSZACIVSA-N	410.852	3.805	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)C[C@@H]3c3ccccc3F)CC2)cc1	743857917	XNUVHUSARNEURK-FDDCHVKYSA-N	411.521	3.566	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC(C)C)cc1	744394181	BDRMANJRPYWHRR-UHFFFAOYSA-N	422.533	3.697	10	20	HHCD	
CCN(CC1CCN(c2ccccn2)CC1)C(=O)NCc1ccc(N(C)C)c(F)c1	745789039	YXGHWSWDJMRGGG-UHFFFAOYSA-N	413.541	3.735	10	20	HHCD	
CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1	748684274	ABRKJAOLMLGQSA-UHFFFAOYSA-N	416.528	3.991	10	20	HHCD	
Cc1cc(C(=O)Nc2nn3cnnc3s2)c(C)n1-c1ccc(Br)cc1	749189951	FNSDMNMZBUBJEE-UHFFFAOYSA-N	417.292	3.608	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccn(Cc2ccccc2)c1=O	755857214	WMKAUAFAEDJBID-UHFFFAOYSA-N	402.498	3.819	10	20	HHCD	
COc1cc(N2CCN(CCOc3ccccc3Cl)CC2)cc(OC)c1OC	759880119	WWNHKBZKWJUAGR-UHFFFAOYSA-N	406.910	3.567	10	20	HHCD	
CCN(CC)c1ccc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1F	761247848	GIIKSVCWQVOKST-HXUWFJFHSA-N	408.477	3.816	10	20	HHCD	
CO[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1Cl	763595622	QDCRIMZIVUVJPK-IERDGZPVSA-N	417.937	3.925	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC1CCN(CC2CCCCC2)CC1	764766300	HPRYUCOOXQQTCB-UHFFFAOYSA-N	424.383	3.999	10	20	HHCD	
CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1Cl	765053668	IRIAZXPSIWIJED-UHFFFAOYSA-N	422.894	3.595	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccccc1C(=O)N1CCCC1	765233216	FKQXTEHZLKFWQO-UHFFFAOYSA-N	418.291	3.712	10	20	HHCD	
CC(C)(CO)[C@H](CNC(=O)NCc1cccc(Br)c1O)c1ccccc1	765532368	FVMNRLZUMBEEHG-MRXNPFEDSA-N	421.335	3.756	10	20	HHCD	
COc1ccc2c(c1)CC[C@@H](NC(=O)NCc1cccc(Br)c1O)C2	765535512	IMPKLFFQTBQHSI-OAHLLOKOSA-N	405.292	3.520	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F	769110933	YBAYHUUECHDFFR-MRXNPFEDSA-N	423.479	3.730	10	20	HHCD	
CCS[C@@H](C)c1noc(CN(C)Cc2cc(Br)cc(OC)c2O)n1	770353344	BFGLUTMXKZFTOP-JTQLQIEISA-N	416.341	3.992	10	20	HHCD	
Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	773088151	MXQNDUVGYVLGJK-NSHDSACASA-N	403.367	3.925	10	20	HHCD	
C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	775665967	PDTOVPQFMAOXBW-KNQAVFIVSA-N	407.558	3.664	10	20	HHCD	
Cc1cccc(CNCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)c1O	776175803	SGHPXDNZHAMCNX-UHFFFAOYSA-N	407.514	3.745	10	20	HHCD	
C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)c1ccc(N(C)C)cc1	776240850	XEGYGFYAIADYJJ-MRXNPFEDSA-N	404.505	3.865	10	20	HHCD	
CCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1	777666527	HVRVPHMFIMMIFV-UHFFFAOYSA-N	422.553	3.577	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1	778673668	CRCUEJXVKVFPOI-UHFFFAOYSA-N	419.451	3.825	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CC[S@](C)=O)c(C)n1-c1ccccc1Br	779215224	ICVWLLHDBVBQEC-YYUOZPCZSA-N	411.365	3.744	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1nccn1Cc1ccc(Br)cc1	779487065	YZGGYLOBUXNDLO-XBXARRHUSA-N	414.259	3.757	10	20	HHCD	
Cn1cnnc1Sc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1Cl	779512067	XPPUQMHRBLVNKJ-XVNBXDOJSA-N	402.863	3.683	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NOCc1ccc(F)cc1Br	780469325	WMLZEDUKJUNXTR-UHFFFAOYSA-N	410.287	3.894	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2ccc(N3CCCCC3)cc2)C1	780504166	LUWGSNMLCWBVAO-YKSBVNFPSA-N	413.562	3.940	10	20	HHCD	
Cc1cc(C(=O)CN2CCC3(CC2)CNC(=O)O3)c(C)n1-c1ccc(C(C)C)cc1	782002276	YTWXZNODZMNZLF-UHFFFAOYSA-N	409.530	3.975	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1nc2c(s1)COCC2)c1ccc(N)cc1	783482737	JNLTULQPAWFSLK-CQSZACIVSA-N	422.510	3.531	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C[C@H](C)NCc2cc(OC)ccc2O)sc(C)c1C	783523563	WMEBHEILGCTJRE-LBPRGKRZSA-N	420.531	3.763	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCOCC2(CCOCC2)C1	785319459	GKGDBVRCZNMZAN-UHFFFAOYSA-N	422.485	3.696	10	20	HHCD	
C[C@H]1[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCN1C(=O)OC(C)(C)C	786250444	GRBNVSVGZRYFLC-PXNSSMCTSA-N	401.551	3.939	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)cc1	788533166	DEKVRJHFVLGKAB-UHFFFAOYSA-N	402.926	3.802	10	20	HHCD	
CC(C)C[C@@]1(CO)CCCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	788744598	UQFHVJIIRYHZND-IEGUWTFLSA-N	421.557	3.522	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(NCC3CC3)nc2)cc1	791338841	BRNGXRHILLFBGF-QFIPXVFZSA-N	408.546	3.791	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(N(C)C)cc2C(F)(F)F)c1	792956752	LZCJYNGPPLRSDG-CYBMUJFWSA-N	415.481	3.530	10	20	HHCD	
C[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(N2CCCCCC2)cc1	793566353	UTFPHMKUQMFWDZ-SFHVURJKSA-N	408.546	3.797	10	20	HHCD	
COc1ccc(CNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c(O)c1	794391367	WOUXGAKUXDFHSC-JOCHJYFZSA-N	420.465	3.685	10	20	HHCD	
CC(C)(C)NS(=O)(=O)c1cccc(NCc2cc(Br)ccc2O)c1	796404412	PEJICTCANLGOPF-UHFFFAOYSA-N	413.337	3.844	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1	796438203	RAZCBIKKJCVPLA-UHFFFAOYSA-N	417.575	3.938	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccc(-c2ccc(Br)s2)nn1	797666016	WQRGTTQLTHSHHG-UHFFFAOYSA-N	405.277	3.995	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1	802609578	DOQGCZXEFHKARZ-UHFFFAOYSA-N	409.486	3.508	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@H](CC3CCC3)c3ccccc3)ccc21	803688309	OLFWNYSZFVRIKX-JOCHJYFZSA-N	405.542	3.733	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1	804542383	XXZSKURNPAOAJS-GMAHTHKFSA-N	407.558	3.629	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(N2CCOCC2)cc1	806541231	HMZOGMVBYJPXDR-YDHSSHFGSA-N	410.562	3.575	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@H](c3ccccc3)N(C)C)CC2)cc1	807402989	RAOGVLXXMZJZQD-WMZHIEFXSA-N	410.562	3.608	10	20	HHCD	
Cc1ccc([C@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccn2)cc1	807672193	XIHDYIPRJFEOFA-MBSDFSHPSA-N	416.525	3.539	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1	807756233	OEJRDFBSAJWQNL-FQEVSTJZSA-N	423.557	3.554	10	20	HHCD	
CSc1cc(C)ccc1CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	807868032	WFWDTCVPLBSOFC-UHFFFAOYSA-N	424.522	3.861	10	20	HHCD	
C[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(F)(F)F	809300446	LQBXFEBUXHSSEQ-OHMLCJAVSA-N	408.492	3.797	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H](O)c2ccc(Cl)cc2)cc1	813430641	PKOWQHKKIRUPKN-NHCUHLMSSA-N	402.922	3.647	10	20	HHCD	
Cc1nnsc1CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	814161504	QVTBGKUOLXQYKD-UHFFFAOYSA-N	405.321	3.947	10	20	HHCD	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1	913075203	LXLMFHAEOBYJDX-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)cc1	918211304	ITMDAJIKGYPAKZ-DEOSSOPVSA-N	424.589	3.714	10	20	HHCD	
O=C(Nc1cccc(OC(F)F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	918294185	MCGJRQGDIUFHHU-UHFFFAOYSA-N	416.380	3.754	10	20	HHCD	
Cc1cccc(-n2ncc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2C)c1	919969022	BUMBIHGEZMERHT-UHFFFAOYSA-N	422.504	3.519	10	20	HHCD	
Cc1coc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1C	1117415844	PEAUGCSRPIEKAN-GOSISDBHSA-N	401.507	3.958	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnc(OCC4CC4)c(Cl)c3)CC2)cc1	1337681401	CMKHBUXGECXBTD-UHFFFAOYSA-N	415.921	3.885	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)C(F)(F)Cl)C2)cc1	1846481728	YVCDGNWTYDEWIM-UHFFFAOYSA-N	421.875	3.743	10	20	HHCD	
C[C@H]1CN(C(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)C[C@H](C)O1	11648217	HMESWJZLVBTNHE-IRXDYDNUSA-N	411.527	3.919	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccccc3C(F)(F)F)CC2)cc1	11853413	XMJSPUZQLIGTEA-UHFFFAOYSA-N	421.463	3.656	10	20	HHCD	
C[C@@H](OC(=O)c1cccc(F)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21458170	OLPMPKRKSGFKEF-CYBMUJFWSA-N	417.392	3.785	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cn(Cc2ccccc2)nc1-c1ccccc1	98076925	NRXZAFGWOITKMR-UHFFFAOYSA-N	413.477	3.982	10	20	HHCD	
C[C@H](NC(=O)NCC1(N(C)C)CCCCCC1)c1ccc(N2CCOCC2)cc1	139940603	RZCGCULTYWOFPN-IBGZPJMESA-N	402.583	3.538	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1F	145627012	XTAUYWADWRZMAE-MRXNPFEDSA-N	408.477	3.647	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O)O[C@H](C)C2	207708242	NRLWQZYIPJJSNJ-PBSOMRJOSA-N	421.540	3.865	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCCCc2ccccc2)cc1)C1CCCCC1	303262555	POLDIDSDADFDAF-UHFFFAOYSA-N	407.558	3.821	10	20	HHCD	
O=[N+]([O-])c1cc(CNC2CCN(CC(F)(F)F)CC2)ccc1N1CCCCC1	725851959	BHAUOHZXJPNPIR-UHFFFAOYSA-N	400.445	3.701	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1	725864943	TUGSDPITFBVRND-IBGZPJMESA-N	416.566	3.733	10	20	HHCD	
CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	725901282	IHPKIMDEVMUMJZ-UHFFFAOYSA-N	410.495	3.703	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cc(Cl)c(OC)c(OC)c3)SC2=S)cn1	726197492	KVGXKGPGNMDPKA-VGOFMYFVSA-N	409.920	3.979	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	726237683	ZADYMKCVWKNDPC-AZUAARDMSA-N	419.447	3.897	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2F)nc1-c1ccccc1	727245756	MPDWYHYNSUWQJG-UHFFFAOYSA-N	406.460	3.927	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1	728839483	PUODZSASPNVYBK-KRWDZBQOSA-N	423.410	3.909	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)c1	729035485	KRZFXUYEHJWVCW-LLVKDONJSA-N	421.379	3.883	10	20	HHCD	
CCN(C)C(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	729351794	GVBQICZRNQWBCQ-QHCPKHFHSA-N	423.557	3.666	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)cc1F	731345305	MAJHWILRQJIUHE-QGZVFWFLSA-N	411.543	3.598	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNC2CCN(CCC(=O)N(C)C)CC2)cc1	731453865	QZGXJGRBSHPGST-UHFFFAOYSA-N	422.617	3.745	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(Cl)nc(N4CCCC4)c3)CC2)cc1	732938192	WKEWVTUJHDGCRD-UHFFFAOYSA-N	414.937	3.743	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1F	734543953	XOKFAJVYZWAUNM-INIZCTEOSA-N	424.442	3.989	10	20	HHCD	
CCCC(O)(CCC)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	738975494	LHXUVKAMMWHBLX-CALCHBBNSA-N	409.546	3.570	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	741100213	STNIOEYUFCUHMW-UHFFFAOYSA-N	421.831	3.573	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)nc2)NC(=O)OC(C)(C)C)cc1	742750676	PAWZYGLUQOVHBH-KRWDZBQOSA-N	418.925	3.797	10	20	HHCD	
Cc1c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cccc1N1CCOC1=O	743245350	ZCUFGHKSIAVXAP-QGZVFWFLSA-N	424.501	3.671	10	20	HHCD	
CCN(CC(=O)Nc1cc(OC)ccc1OC)Cc1cc(Br)ccc1O	744426318	RJDDEUNNGLZJOF-UHFFFAOYSA-N	423.307	3.633	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3ccccc3OC(F)F)CC2)cc1	746195825	BKZJHHHEHACJHC-UHFFFAOYSA-N	422.497	3.879	10	20	HHCD	
Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	747751831	LCBHAKZPKYNWGF-UHFFFAOYSA-N	423.557	3.947	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1O	748049611	MBCGVACFPKDDLN-UHFFFAOYSA-N	411.889	3.688	10	20	HHCD	
COc1ccccc1C1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	749421534	WUDNSCMWPZECEV-IBGZPJMESA-N	410.514	3.823	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)CCCC(=O)N3)cc1	751405263	KDJPTJQLUNVQFU-QFIPXVFZSA-N	421.541	3.849	10	20	HHCD	
COc1ccc2c(COC(=O)c3csc(Cc4ccc(N)cc4)n3)cc(=O)oc2c1	751937563	QSCIYFMDRVPYTI-UHFFFAOYSA-N	422.462	3.788	10	20	HHCD	
CCc1ccc(CC)c(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1	752096535	JKZAUGGXDORUTK-UHFFFAOYSA-N	411.571	3.620	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	755172243	APOMMEWBIIHZTP-JXFKEZNVSA-N	419.566	3.720	10	20	HHCD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(CN[C@@H](C)c3ccc(F)cc3O)cc2)C1	756430147	IEQVWSGTGUUSQL-HOTGVXAUSA-N	406.523	3.803	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(Br)cc3O)C2=O)cc1	756710145	ATPUGHAHEKSQHB-FZKQIMNGSA-N	419.319	3.615	10	20	HHCD	
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCSc1nccs1	759603085	QKSYAYVIGFASGS-SFHVURJKSA-N	419.620	3.716	10	20	HHCD	
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1	759603109	QTEAPYYHYOYDSB-CQSZACIVSA-N	414.597	3.666	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)ccc1Br	761881120	ORFIQMAFYBXHFE-UHFFFAOYSA-N	418.335	3.811	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)ccc2Br)cc1	761890762	IZXDZDGBZPTRDU-UHFFFAOYSA-N	418.335	3.859	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCN(Cc4ccccn4)CC3)cc2F)C[C@H](C)O1	765117538	HMTSMDJZNOZJEA-OALUTQOASA-N	412.553	3.589	10	20	HHCD	
Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl	765320939	AHHJMRTXIBINNJ-UYAOXDASSA-N	418.965	3.884	10	20	HHCD	
Cc1ccc(OCCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1	765717966	JJETVSGMHIRFST-UHFFFAOYSA-N	414.521	3.879	10	20	HHCD	
O=[N+]([O-])c1ccc(-c2ncn(CN3CCCc4cc(OC(F)F)ccc43)n2)cc1	766350707	FLFOEBLNJCCUJN-UHFFFAOYSA-N	401.373	3.865	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1	766834498	DVLUBINWUQEXNS-MOPGFXCFSA-N	408.329	3.859	10	20	HHCD	
CCOc1c(OC)cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC	768163109	UFGOPGGVNAAWAP-IBGZPJMESA-N	401.503	3.989	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@@H]2CCCC3(C2)OCCO3)cc1)C1CCCCC1	768298248	OAWFHHMWJVJXOF-LJQANCHMSA-N	401.551	3.940	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cn3ccc(-c4ccccc4)n3)cc2F)C[C@@H](C)O1	768517374	QKMKOJKOMUFNDG-QZTJIDSGSA-N	422.504	3.619	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(OCc3ccccc3F)CC2)cc1F	768937046	QCVCGMMENZBVRE-UHFFFAOYSA-N	403.473	3.922	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(C)oc3C(F)(F)F)cc2F)CC1	769929608	IWJLMRUJJXBCJW-UHFFFAOYSA-N	413.415	3.818	10	20	HHCD	
C[C@H](NC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F)c1ccc(N(C)C)cc1	773016843	CVNHNLYRUZRZLM-ZDUSSCGKSA-N	403.408	3.843	10	20	HHCD	
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775692866	HBTAKEKEPMCPFD-MRXNPFEDSA-N	421.501	3.916	10	20	HHCD	
C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	779341780	ORWLDAILLKFSNU-CQSZACIVSA-N	402.457	3.752	10	20	HHCD	
COc1cc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OCc1ccncc1	779502667	WBCGFPKPZDDCJC-YCOJEUHLSA-N	420.465	3.971	10	20	HHCD	
Cc1ccncc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	783001980	NUZUNQKVQRKPSY-HOTGVXAUSA-N	413.477	3.843	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cnc(OCC4CC4)c(Cl)c3)CC2)cc1	783919241	BKNVKAAWFFQYLS-UHFFFAOYSA-N	415.921	3.885	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	788955360	QFHDSGYXTBBGRT-SJORKVTESA-N	413.484	3.634	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(CC(F)(F)F)CC2)c1	789532597	YJNNTDOREKQDBQ-UHFFFAOYSA-N	414.468	3.591	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(I)cc1	792599616	MVFFNGPGOWHDLK-UHFFFAOYSA-N	408.283	3.525	10	20	HHCD	
Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)O2	793119336	XFFXMWGYYDGUNV-HKARXFIJSA-N	412.505	3.758	10	20	HHCD	
COc1ccc(CNS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)c(O)c1	795357441	PDLIIBBRTXUXET-UHFFFAOYSA-N	423.437	3.676	10	20	HHCD	
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@]2(CCOC2)O1	797385116	OFKHYSHEPGTMRW-NZQKXSOJSA-N	422.485	3.837	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c(O)c1	797390245	BAXVKECOSPPWJP-INIZCTEOSA-N	420.465	3.796	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)n2)c(C)c1	799635892	ATYXUUDRYDKEGU-UHFFFAOYSA-N	415.540	3.930	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H](O)c3cccc(Br)c3)CC2)cc1	800497075	XQAGMPDJGSENPF-FQEVSTJZSA-N	405.336	3.750	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1F	803662860	IHUKTTDXQUAYCW-UHFFFAOYSA-N	419.500	3.737	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N(Cc3ccco3)Cc3cccs3)ccc21	803686623	FCJIGWKTBMBJRO-UHFFFAOYSA-N	423.538	3.569	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)cc1	804123179	PIHPZYBGSZZHJT-HXUWFJFHSA-N	402.454	3.608	10	20	HHCD	
Cc1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c(C)n1-c1ccccn1	808051498	YMJQLLMDWWZXJL-UHFFFAOYSA-N	420.904	3.900	10	20	HHCD	
CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc2c(c1)CCN2Cc1ccccc1	809595545	MOXPCENINMVVKI-AFESJLNVSA-N	405.586	3.933	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NCc3ncc(C4OCCO4)s3)CC2)cc1	809613117	LBXZRDKHPITUNS-UHFFFAOYSA-N	411.474	3.549	10	20	HHCD	
CC[C@@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@H]1CCCO1	812306723	BTNBSWCQSSDZMQ-NQIIRXRSSA-N	413.566	3.696	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1	813844956	IGWRWTWPOGNOGV-YEODSOHDSA-N	409.360	3.610	10	20	HHCD	
O=C1/C(=C/c2cc(Br)c3c(c2)OCCO3)SC(=S)N1C1CCC1	814185630	LTFDFVKDDGHHAS-JYRVWZFOSA-N	412.330	3.974	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c(C)n1-c1ccccn1	914847685	FUPLXMMFFPDVEP-UHFFFAOYSA-N	408.546	3.744	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1	917391365	SNIQTSVKHWFOPG-AWEZNQCLSA-N	422.407	3.927	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1C	917758405	VRVIVEXLRRRWBZ-UHFFFAOYSA-N	423.343	3.864	10	20	HHCD	
CCCCOc1ccccc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	918052233	BGMYUFKESNQMRZ-IBGZPJMESA-N	424.545	3.889	10	20	HHCD	
O=C(NCCSCc1ccccc1F)NCc1ccc(N2CCOCC2)c(F)c1	918187473	BQVLYFSELIGZBW-UHFFFAOYSA-N	421.513	3.534	10	20	HHCD	
C[C@@H](NC(=O)Nc1nnc(Cc2ccccc2)s1)c1ccc(N2CCOCC2)cc1	920869302	SLUBVKCTHBDLDH-MRXNPFEDSA-N	423.542	3.848	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC2(S(C)(=O)=O)CCCC2)c1	1117516514	OMSUPVITVCTOSS-UHFFFAOYSA-N	408.951	3.835	10	20	HHCD	
CC(C)(NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCCC1	1321067598	CDBLIUNQALKPFE-SFHVURJKSA-N	400.567	3.546	10	20	HHCD	
Cn1nc(Br)cc1/C=C1/SC(=S)N(c2cccc(F)c2F)C1=O	1321297290	RKBBQSXWFCHWIL-BJMVGYQFSA-N	416.272	3.867	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)c1	1339290004	ZRAMIWGOAVCZMR-UHFFFAOYSA-N	408.951	3.787	10	20	HHCD	
CCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1	1800515399	PERWJCKBCUAPEE-UADZTWIMSA-N	423.557	3.773	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)O	16914984	AJQHIJXQZLYGOY-CXUHLZMHSA-N	419.455	3.704	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(Br)o3)CC2)cc1	110421960	RDAZOEXWRVYMDR-UHFFFAOYSA-N	422.323	3.861	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cc1	110462764	QZURDHWYVCIBPJ-UHFFFAOYSA-N	402.560	3.841	10	20	HHCD	
CC(=O)c1ccc(OCCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	248040949	KUABJBNOCMCNJY-UHFFFAOYSA-N	410.514	3.543	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1F	303314315	GMOMDTVEFPMCGU-UHFFFAOYSA-N	404.398	3.727	10	20	HHCD	
COc1ccccc1[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1noc(C)n1	303640300	RXHBZAPFAAXRBG-OAQYLSRUSA-N	417.469	3.709	10	20	HHCD	
Cc1c(CNC(=O)NCc2ccc(Cn3ccccc3=O)cc2)n(C)c2ccccc12	471729464	XBCSPNQCFBBEKK-UHFFFAOYSA-N	414.509	3.696	10	20	HHCD	
COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1	570751412	BZEUOCKHLPIABM-UHFFFAOYSA-N	424.501	3.570	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(C(F)F)c3)cc2)C1	726080776	OLZNJLBYNYRRDZ-MRXNPFEDSA-N	402.445	3.648	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2sccc2-n2c(C)ccc2C)cc1	727391507	HOBNMAIKTGTQTF-OAHLLOKOSA-N	417.556	3.555	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1	729067461	UDUPMUJAFWOBTL-CYBMUJFWSA-N	400.475	3.523	10	20	HHCD	
CCN(C)C(=O)c1cccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1	729178026	DSGXIUWZISZFAH-UHFFFAOYSA-N	420.557	3.563	10	20	HHCD	
COC(=O)C(C)(C)N(C)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	731006559	KXXYHOYPNHTDDU-UHFFFAOYSA-N	407.308	3.880	10	20	HHCD	
O=[N+]([O-])c1c(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nc2ccccn12	731903761	VCIPUVODUKVPKF-OAHLLOKOSA-N	401.854	3.678	10	20	HHCD	
CCCNC(=O)c1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc1	732922300	XATLXZRMVSMAPX-UHFFFAOYSA-N	404.461	3.904	10	20	HHCD	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)s4)cs3)cc21	734740714	RBJMHNUNXFMILP-UHFFFAOYSA-N	419.553	3.890	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C[C@H](C)c3ccccc3C)CC2)cc1	734770341	JULWVIYIRNYAEM-NRFANRHFSA-N	409.574	3.826	10	20	HHCD	
Cc1cc(C(=O)COC(=O)COC2CCOCC2)c(C)n1-c1ccc(F)c(Cl)c1	735361500	SLJDABIFGKPNRN-UHFFFAOYSA-N	423.868	3.808	10	20	HHCD	
O=C(CCC(=O)N1CCc2sccc2C1)NCc1ccc(N2CCCCC2)cc1	742468349	CMYUEIJSSOHMPG-UHFFFAOYSA-N	411.571	3.720	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)N[C@H](C)c3cc(OC)ccc3O)n2)c1	743706360	ZMULQHHNQAFGAL-CHWSQXEVSA-N	412.446	3.581	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CNc3ccccc3Cl)cc2F)C[C@@H](C)O1	745861493	JZUBJWGOFKXWRR-HUUCEWRRSA-N	405.901	3.821	10	20	HHCD	
Cc1ccccc1[C@H](CO)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	746761870	PTFGZOOAJIQBIN-FQEVSTJZSA-N	419.472	3.598	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc(OC)c1Br	746798456	HMKMNEPFJZNRCE-UHFFFAOYSA-N	411.271	3.601	10	20	HHCD	
O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1cc(O)cs1	747937178	DNVVBTAUWYFBGE-UHFFFAOYSA-N	424.887	3.866	10	20	HHCD	
COCCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCC1	749567475	YKAOLPXVNXXAIQ-UHFFFAOYSA-N	411.493	3.857	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)CC[C@H](C)c3ccccc3)CC2)cc1	749637819	AKEXMNYUNWGIBT-NRFANRHFSA-N	409.574	3.907	10	20	HHCD	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754544723	ZLCNGOREFRRUKX-UHFFFAOYSA-N	415.405	3.689	10	20	HHCD	
Cn1nnc2cc(C(=O)OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cnc21	754900581	KFPZYCHXGRMTJE-UHFFFAOYSA-N	415.413	3.574	10	20	HHCD	
O=C(CCSc1ccccn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755355381	ANZJGHFLBJESMI-HNNXBMFYSA-N	407.486	3.950	10	20	HHCD	
Cc1cc(C(=O)N(C)c2ccc(N3CCOCC3)nc2)c(C)n1-c1ccc(F)cc1	756312854	BYCYUZANFCRXSN-UHFFFAOYSA-N	408.477	3.741	10	20	HHCD	
COc1cc([C@H](C)N[C@H](C)c2ccc(Br)cc2O)ccc1OCCO	756462094	YVWZZRZXCNGRHP-QWHCGFSZSA-N	410.308	3.946	10	20	HHCD	
C[C@H](Nc1ccc(N2CC[C@H](N(C)C)C2)cn1)c1ccc(Br)cc1O	756858166	QZSCDDHUJBSYHG-BBRMVZONSA-N	405.340	3.863	10	20	HHCD	
CCOC(=O)[C@H]1CCCN(C(=O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)C1	757286908	RVTXHORKLGKJCL-KNQAVFIVSA-N	424.541	3.757	10	20	HHCD	
COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C)n(-c3cccc(C(C)C)c3)c1C)CC2	758328618	UCFXEKVWMCVNRL-IBGZPJMESA-N	421.545	3.700	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCc3cccc(OC(C)(C)C)n3)CC2)cc1	758434669	SPVXOYDECDWFFC-UHFFFAOYSA-N	411.546	3.939	10	20	HHCD	
COc1cc(N2CCN(c3cc(C)nc4c(OC)cccc34)CC2)cc(OC)c1OC	758934627	IBGLBURENLYZQU-UHFFFAOYSA-N	423.513	3.904	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cccc(C(F)F)c3)CC2)cc(OC)c1OC	759242276	VZCYFWGGZCSCDJ-UHFFFAOYSA-N	406.429	3.612	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](C)[S@](=O)CC2)c(C)n1-c1ccc(F)c(Cl)c1	759871396	URUHOSWLPQUYRO-PGGUUEOZSA-N	410.942	3.912	10	20	HHCD	
O=C(NCC[C@H](NC(=O)c1cc(O)cs1)c1ccccc1)c1cc(O)cs1	760450806	OVEVZQKUUIHJFX-HNNXBMFYSA-N	402.497	3.512	10	20	HHCD	
Cc1sc(Br)nc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	764628859	YRAUMRNPCCHFFO-CYBMUJFWSA-N	411.321	3.741	10	20	HHCD	
CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)NCCCSc1nccs1	765864086	LNVMDZQYALPCAC-UHFFFAOYSA-N	411.524	3.697	10	20	HHCD	
COc1ccc(CN2CCCN(Cc3c(O)ccc4ccc(OC)cc34)CC2=O)cc1	767521931	FIOAETBLQIIJRW-UHFFFAOYSA-N	420.509	3.797	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cc(Br)cc([N+](=O)[O-])c1	770969828	SMDSOKQBTCBXMF-UHFFFAOYSA-N	402.295	3.726	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1	771657876	PVXATYJRTZNBFN-INIZCTEOSA-N	402.970	3.503	10	20	HHCD	
COc1c(Br)cccc1/C=C1/NC(=S)N(Cc2ccccc2)C1=O	773915765	RASDMDVPYHQRCW-XNTDXEJSSA-N	403.301	3.716	10	20	HHCD	
O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1ccc(O)c(O)c1	778926843	ZAWSAXGOLKRCNW-UHFFFAOYSA-N	404.875	3.646	10	20	HHCD	
CCOC(=O)[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCCOC1	782174158	GICWZRUOSGTJHU-VGOFRKELSA-N	424.501	3.988	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1	786257033	LACVWFIMOBBSJE-UHFFFAOYSA-N	406.313	3.592	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ncc(Br)s2)cc1	789964302	WQTLWSFJBIMYHK-HNNXBMFYSA-N	424.364	3.793	10	20	HHCD	
Cc1oc2c(CN3CCO[C@@]4(CCO[C@H]4C)C3)c(O)ccc2c(=O)c1-c1ccccc1	794668737	RBYIKYXJONDCSO-GKVSMKOHSA-N	421.493	3.854	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cscc2Br)SC1=S	794680295	NAMWLGXGTAQCJY-BJMVGYQFSA-N	406.348	3.665	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3cnccn3)c2C)c1	795914781	AQQKCBLLTVPGKQ-UHFFFAOYSA-N	409.511	3.965	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCCC(F)(F)C1	799901465	DOPWKBFONZSBSI-CYBMUJFWSA-N	406.395	3.984	10	20	HHCD	
COCCO[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	799995096	XYCDTMQCWYHKSQ-AEFFLSMTSA-N	409.958	3.523	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@]34CCOC4=O)cc2Cl)C1	800718722	CVXNXUARRNQUGW-VFNWGFHPSA-N	405.926	3.567	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CC[C@@](F)(CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	802011219	MKXXAAOJNOJSCS-BTYIYWSLSA-N	410.436	3.673	10	20	HHCD	
Cc1cccc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1	805023812	LVFNGIYVGAVOQN-HSZRJFAPSA-N	420.557	3.606	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccccc1	806872772	NOXLKSZAWGZGEZ-BZNIZROVSA-N	408.285	3.692	10	20	HHCD	
Cc1nc(COc2cccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)no1	807836718	LOSYBNHBKFPPMF-UHFFFAOYSA-N	408.241	3.899	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@@H]2C)cc1	815593538	PLFGVFNSMQEHAE-KKSFZXQISA-N	423.513	3.531	10	20	HHCD	
CCOc1nc(C)ccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857473374	XYJPQYSBJAUMKC-QGZVFWFLSA-N	403.910	3.542	10	20	HHCD	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c1	915222371	CCFNFEHNSZIQGM-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
CC(C)C(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	915343845	VNQGSBBWGWNUDT-UHFFFAOYSA-N	410.518	3.782	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCCOc3ccccc3)cc2F)C[C@H](C)O1	917709255	FFLMWBJKRYTGFG-ROUUACIJSA-N	400.494	3.915	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1	918155043	RRRLLWXYYREFBB-LFIBNONCSA-N	405.522	3.505	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCCN(CC(F)(F)F)CC2)c(C)n1-c1ccccc1	918199802	FSVPUNQCYGEZDQ-UHFFFAOYSA-N	422.495	3.916	10	20	HHCD	
Cc1cc(-c2nnc(CN(C)S(=O)(=O)c3ccccc3)o2)c(C)n1-c1ccccc1	1117164901	JKSZEEZARWPMEQ-UHFFFAOYSA-N	422.510	3.965	10	20	HHCD	
Cn1cc([C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc2)cn1	1320206660	YHCNVRYZSSBZAM-GGAORHGYSA-N	420.513	3.606	10	20	HHCD	
OC1(c2scnc2Br)CCN(Cc2ccc(N3CCCC3)cc2)CC1	1321571767	HIYCBNSVFXVNFW-UHFFFAOYSA-N	422.392	3.989	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(Br)c(Cl)cc2OC)c(O)c1	1326863474	KNWWLEDXEHAODZ-UHFFFAOYSA-N	400.656	3.755	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1COc2ccc(F)cc2C1	1329036043	IJXDIQWOLTYEDF-APWZRJJASA-N	418.896	3.517	10	20	HHCD	
COc1ccc(N2CCCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cc1	301062734	DXUCTYGTCKCXEU-UHFFFAOYSA-N	400.486	3.517	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ncc(Br)cn1	301178012	NQICGGDLWPSYKF-UHFFFAOYSA-N	417.229	3.707	10	20	HHCD	
CCn1cc(-c2nn(C)cc2C(=O)N2CCCc3cc(Br)ccc32)cn1	488712712	KGPGNRVQVYOYKH-UHFFFAOYSA-N	414.307	3.659	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCC2(c3cccc(Cl)c3)CC2)n(C)c2ccccc12	509028596	CAZUGICKTIYSFH-UHFFFAOYSA-N	409.917	3.604	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ncc(-c4ccccc4)o3)CC2)cc1	726610393	FBJCNWUAIDBMJY-UHFFFAOYSA-N	406.486	3.818	10	20	HHCD	
COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)c3ccc(C)c(O)c3O)ccc2c1	727003830	HTYZLXPKXCMCCG-OAHLLOKOSA-N	423.465	3.772	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)N2CCCN(C)CC2)c(C)n1-c1ccc(OC(F)F)cc1	727104863	HRWKOKHXXCKVKW-QGZVFWFLSA-N	405.489	3.904	10	20	HHCD	
COc1ccccc1[C@H]1CCCN1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	727826534	QVBOZHZYRSRQKO-HSZRJFAPSA-N	424.541	3.773	10	20	HHCD	
COc1cccc(CNC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c1O	729859559	SQLBRTXMSUDGFX-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3OC)cc2F)CC1	730192531	FAVGJSAEOKHFPJ-UHFFFAOYSA-N	405.901	3.560	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN(C)[C@@H]2CCOC2)sc(C)c1-c1ccccc1	730378691	TYZZNGMXLIMGJG-QGZVFWFLSA-N	416.543	3.950	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C1(c2ccccc2Cl)CCOCC1	730535898	RMEMQCBAXRYUHN-UHFFFAOYSA-N	414.933	3.541	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21	734414308	DRIXVRLWSDYELC-CJLVFECKSA-N	412.493	3.774	10	20	HHCD	
O=C([C@@H]1COc2ccc(Cl)cc2C1)N(Cc1ccccc1O)C[C@H]1CCCO1	735517077	HDUWMCXMKLQCLV-PKOBYXMFSA-N	401.890	3.805	10	20	HHCD	
CCN(CC(=O)Nc1cc(C)nn1C(C)(C)C)Cc1cc(Br)ccc1O	743874565	XATCUZCJAXQISK-UHFFFAOYSA-N	423.355	3.875	10	20	HHCD	
CC1CCN([C@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745782047	AWVPVNSMVDYWQO-MSOLQXFVSA-N	424.536	3.676	10	20	HHCD	
COc1ccncc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	748209020	SSAOACCXWIHCPL-GDNBJRDFSA-N	419.553	3.772	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCN(C)c4ccccc43)cc2F)C[C@@H](C)O1	750728401	JJBPGJKBCVDEKJ-HLIPFELVSA-N	411.521	3.679	10	20	HHCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)nc(O)n2C1CCCC1	751349272	GIUUIJNVXXMPFO-UHFFFAOYSA-N	406.486	3.946	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1F	753146628	APWUXHPTHFBFGG-UHFFFAOYSA-N	422.545	3.728	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCCCc2ccc(Br)cc2OC)c1	753187651	FSZIEEVBHCRYTF-UHFFFAOYSA-N	423.307	3.604	10	20	HHCD	
COc1ccc2nc(C)c(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)cc2c1	753742669	WBYUIEOWALXLCK-UHFFFAOYSA-N	409.461	3.662	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c[nH]nc1-c1cccc(Cl)c1	755380925	CLCUZDIHDRCRQX-UHFFFAOYSA-N	424.932	3.869	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)ccc21	756100793	UDPSUTHEVJVKBS-UHFFFAOYSA-N	410.276	3.770	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CCC(O)CC1)c1ccc(Br)cc1O	756635847	UFBIKKMLJRNNHK-OAHLLOKOSA-N	419.363	3.962	10	20	HHCD	
CCOC(=O)COc1ccc(CCN[C@H](C)c2cc(Br)ccc2O)cc1	756731100	DTDKJXIEBQMGLI-CQSZACIVSA-N	422.319	3.990	10	20	HHCD	
C[C@H](c1ccccc1)n1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	760077481	MTULHRMGDDRSIN-LJQANCHMSA-N	419.529	3.993	10	20	HHCD	
COc1cc(Cl)cc(CN2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1O	761201887	HUMUONPNTXDQIK-GOSISDBHSA-N	416.905	3.982	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1	766197541	FIKYFGOMYXGYFQ-PGRDOPGGSA-N	411.521	3.817	10	20	HHCD	
CCS(=O)(=O)c1ccc2oc(CN3CCCCc4cc(OC)ccc43)nc2c1	766270138	QGSIVRIGGJEIAD-UHFFFAOYSA-N	400.500	3.973	10	20	HHCD	
C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cnc2ccccc21	771059362	PLRJAKHZIOMPGM-MAUKXSAKSA-N	412.921	3.737	10	20	HHCD	
CN(C)Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	771064088	HWROOTISSNXBHX-FQEVSTJZSA-N	401.938	3.502	10	20	HHCD	
CCCCOC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	773857680	NFFWMAVNFCHUES-INIZCTEOSA-N	411.502	3.525	10	20	HHCD	
CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1	774363671	VIBQGLUYGWPSQS-UHFFFAOYSA-N	408.907	3.549	10	20	HHCD	
CC[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)c(Cl)c1O	775488985	LMFKECYZQCFOHN-MAUKXSAKSA-N	405.391	3.948	10	20	HHCD	
COc1ccc([C@H](NCc2cccc(C)c2O)c2cccc(S(C)(=O)=O)c2)cc1	776219619	HEWSBJMDKPQTJX-QFIPXVFZSA-N	411.523	3.992	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNC[C@@H]1COC2(CCCC2)O1	776257083	WMMCONUXOKXBPF-GFCCVEGCSA-N	421.129	3.693	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4cccc(Cl)c4)n3)CC2)cc1	776739455	QRJMINAPFCIUGL-UHFFFAOYSA-N	410.905	3.805	10	20	HHCD	
COc1ccc(C[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	781149188	LKKNPYZYWMBVFK-MSOLQXFVSA-N	412.530	3.596	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OCC	784025947	OWXLEUMAZKSPPQ-UHFFFAOYSA-N	418.515	3.625	10	20	HHCD	
COC(=O)COc1ccc(N(C)CCCc2nc(-c3ccc(C)c(F)c3)no2)cc1	784564107	MYALSIDVGKCMQI-UHFFFAOYSA-N	413.449	3.805	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(OCC=C(C)C)c3)cc2)CC1	786255970	OPLSELNLRRNKMG-UHFFFAOYSA-N	421.541	3.630	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)c1	787130924	COYREVSFSIGYCQ-AWEZNQCLSA-N	400.475	3.917	10	20	HHCD	
CC(C)(C)OC(=O)N1CC2(CC(NCc3ccc(N4CCSCC4)cc3)C2)C1	788543521	VWJZSDOBIACMOO-UHFFFAOYSA-N	403.592	3.729	10	20	HHCD	
Cc1sc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nc1C(C)C	789956669	SQGIWQTZEBQWCW-UHFFFAOYSA-N	401.576	3.643	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C	790416139	SJVAEUJLVMETQT-UHFFFAOYSA-N	415.265	3.735	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H](c3cncc(Br)c3)C3CC3)cc2)CC1	790621604	AXVWJKWYPKIAEL-NRFANRHFSA-N	415.379	3.837	10	20	HHCD	
CN(C)c1cccc2c(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)cccc12	791422196	ACGGZCWIRWDIPX-UHFFFAOYSA-N	409.555	3.985	10	20	HHCD	
COC(=O)C[C@@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]1C	792919501	JYNMLOXNDCXVNC-VCBZYWHSSA-N	414.468	3.609	10	20	HHCD	
O=C(CSc1cc(Cl)ccc1F)NCc1ccc(N2CCOCC2)c(F)c1	795244498	NVBXPKFOCSHOKU-UHFFFAOYSA-N	412.889	3.863	10	20	HHCD	
CS(=O)(=O)Nc1ccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)cc1	796267390	WWCRWHOSYJGWJV-UHFFFAOYSA-N	421.566	3.911	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1	797626357	VTZMVNWSEGMWFE-AWEZNQCLSA-N	415.490	3.875	10	20	HHCD	
C[C@@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCN(Cc2ccccc2)C1	798420411	SHHYCVSHDJUKEK-VWLOTQADSA-N	404.558	3.774	10	20	HHCD	
O=C(N[C@H]1CCCC12CCOCC2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	800021194	IIKOBWQPUGSRTR-APWZRJJASA-N	423.504	3.905	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1Oc1ccncc1	800847767	JDISZDXFFHXLAA-UHFFFAOYSA-N	407.445	3.780	10	20	HHCD	
Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	801719267	KIFSJHKLCVEAHE-CALCHBBNSA-N	423.536	3.927	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H](C)c1ccccc1	806870002	CXBLHFZRHMLSEV-PMACEKPBSA-N	407.558	3.944	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(C2CCOCC2)cs1	807079687	RYQKSHPBCYESSM-UHFFFAOYSA-N	417.531	3.510	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2cccnc2)cc1	807672662	FQPXIZZIVMIOBR-QZTJIDSGSA-N	416.525	3.869	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1)c1ccc(N(C)C)cc1	807674397	KJAZDQRVFSTOHQ-CKJXQJPGSA-N	409.530	3.837	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1)c1ccc(N(C)C)cc1	807674398	KJAZDQRVFSTOHQ-QYWGDWMGSA-N	409.530	3.837	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccnc(C(F)(F)F)c2)cc1	809579783	GSVMOUXEHTXMIW-GOSISDBHSA-N	407.436	3.988	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnnc(-c4ccccc4)c3)cc2F)C[C@H](C)O1	810167819	PSMOHEUWJRUZIQ-IRXDYDNUSA-N	420.488	3.826	10	20	HHCD	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cn(C)nc3C(F)F)SC2=S)cc1	812219587	KANYMRCLZPZHJW-JYRVWZFOSA-N	423.466	3.940	10	20	HHCD	
Cc1nnsc1CN[C@H](C)c1cc(Br)cc(Br)c1O	813885541	UYVJZGZHCOTCDJ-ZCFIWIBFSA-N	407.131	3.928	10	20	HHCD	
COc1cc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OCCO	918636731	NXBKHFQNLUFVKJ-UHFFFAOYSA-N	412.461	3.543	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCSCc3ccccn3)cc2F)C[C@@H](C)O1	918700115	YONNNBVRXHFRKK-CALCHBBNSA-N	417.550	3.774	10	20	HHCD	
COc1c(Cl)cccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	920192804	ATBLOROYXVPGRK-UHFFFAOYSA-N	401.894	3.544	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)cc1	1253312912	ULYUZQHGZVGHBJ-GOSISDBHSA-N	417.517	3.910	10	20	HHCD	
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1	1344378801	WAPYMWIRNQIVNP-HNNXBMFYSA-N	409.456	3.833	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1	14253387	JBUHMRBGYZILHE-UHFFFAOYSA-N	408.526	3.658	10	20	HHCD	
CCOc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1OCC	54035359	HONFYNONHXUYSS-UHFFFAOYSA-N	400.544	3.967	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1	109702560	YQRWEUGLDHPAHO-IBGZPJMESA-N	422.485	3.964	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCCS(=O)(=O)c3ccccc3)c2C)c1	195712264	LPAODQHCSYWXID-UHFFFAOYSA-N	410.539	3.996	10	20	HHCD	
Cc1ccc(F)c(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	303853473	LBHKYMLZNNSRER-HZPDHXFCSA-N	404.457	3.582	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1cc(Cl)cc(Cl)c1	427835497	ALBNMYJMLJQZLQ-UHFFFAOYSA-N	401.315	3.788	10	20	HHCD	
COc1ccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1Br	437008283	PFRCDKZHPJTWQF-UHFFFAOYSA-N	419.319	3.882	10	20	HHCD	
CCc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1	483581323	SKXZVDLIDBEXSJ-UHFFFAOYSA-N	407.514	3.835	10	20	HHCD	
Cc1cc(-c2nc(C3C[C@@H]4CC[C@H](C3)N4C)no2)ccc1NC(=O)C1=S=CC=C1	680776278	CEWNEQMEOUFAKE-ALOPSCKCSA-N	408.527	3.601	10	20	HHCD	
O=C(NCCc1ccc2c(c1)OCCO2)N(Cc1ccco1)Cc1ccccc1O	726082997	CCAUJGZSXRKIJG-UHFFFAOYSA-N	408.454	3.711	10	20	HHCD	
COc1cc2c(cc1OC)CN(Cc1c(O)ccc(C(=O)c3ccccc3)c1O)CC2	728195999	VEFPPHUAEZPJSL-UHFFFAOYSA-N	419.477	3.904	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(Cc2c(O)ccc3ccccc23)C1)c1cccc(F)c1	729467726	JJENJONSXSNUMT-SFHVURJKSA-N	414.502	3.627	10	20	HHCD	
CC[C@@](C)(NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	730905042	WMKHGCAIDRJLLD-NTKDMRAZSA-N	408.546	3.513	10	20	HHCD	
O=C1CCCN1[C@H]1CCCN(Cc2c(O)ccc3cc(Br)ccc23)C1	732186385	OGUDTZCCECQNSA-INIZCTEOSA-N	403.320	3.895	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N2CCSCC2)CCCCC1	732705129	RDMLUFXTIDAMTL-UHFFFAOYSA-N	404.624	3.646	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1	734468213	QQNYJPYPEBGFTK-UHFFFAOYSA-N	423.538	3.792	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1c1cccc(F)c1F	741698252	WNMOONSBCBWRST-PMACEKPBSA-N	400.469	3.593	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3sccc3C)n2)s1	743046106	POPXIAKHSLGMNQ-UHFFFAOYSA-N	413.571	3.678	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(N2CCCC2=O)c1	743807485	FRFVTKUREHEVBB-UHFFFAOYSA-N	417.303	3.944	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(NC(=O)NCc3c(O)ccc4c3CCCC4)CC2)cc1	745799606	IMSLVFUEVFXZAM-UHFFFAOYSA-N	421.541	3.683	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1	745820694	RYDPAGMTVRBLFU-NSHDSACASA-N	402.838	3.665	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H]1CN1CCCC1	745905678	PTQRDPBLAKVOCO-IEBWSBKVSA-N	422.520	3.527	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCn2cccc2[C@H]1c1ccccc1	747669645	OCBLWQYCXCIBSB-RUZDIDTESA-N	402.542	3.618	10	20	HHCD	
O=C(NCc1ccccc1O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	748349936	MBLJHUNGXIPKOP-UHFFFAOYSA-N	416.886	3.776	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc(N(C)C)c3)cc2F)C[C@@H](C)O1	748468303	YSGKYXOKNIMFJH-CALCHBBNSA-N	414.525	3.505	10	20	HHCD	
O=C(Nc1ccn(CC(F)F)n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	748954291	LYLUHYQETSVEHS-LBPRGKRZSA-N	415.391	3.540	10	20	HHCD	
C[C@H](NC(=O)c1c(F)cccc1Br)c1ccc(N2CCOCC2)cc1	749358280	DYRKNYIZYAVZLM-ZDUSSCGKSA-N	407.283	3.916	10	20	HHCD	
CC(C)(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1=O	749770329	RKOMMBUBRDTENA-SFHVURJKSA-N	407.474	3.556	10	20	HHCD	
CC[C@@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1	751066526	JIUPQGDETQGHAD-CQSZACIVSA-N	408.545	3.907	10	20	HHCD	
Cc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(N2CCOCC2)c1	753946761	KSWALMNGLYXGDR-UHFFFAOYSA-N	422.573	3.772	10	20	HHCD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	755610679	WFYFSRHSPVZZPB-LPHOPBHVSA-N	413.949	3.537	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCSC1	756378190	WIMOEGZMCWEMST-LQELWAHVSA-N	412.627	3.693	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccc(Br)cc3O)cn2)CCO1	756428830	BTYIIBCSVKJUKU-ZIAGYGMSSA-N	406.324	3.626	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)CN(C)c2ccc(OC)c(Cl)c2)c1	757855527	FFGHIBRSCCVGCW-UHFFFAOYSA-N	403.910	3.906	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccccc3Cn3cncn3)n2)cc1	758384845	OOBKFZGEYVMQON-UHFFFAOYSA-N	411.512	3.559	10	20	HHCD	
NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	760575846	JUGBVUSVSOXVCP-LJQANCHMSA-N	423.891	3.596	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCOc2ccc(C(F)(F)F)cn2)C2CC2)cc1	761779799	WHLYZSMDDJJFDY-UHFFFAOYSA-N	422.451	3.919	10	20	HHCD	
CCc1noc2ncc(S(=O)(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc12	762578300	KPFIYSQXKGTDPN-UHFFFAOYSA-N	422.438	3.988	10	20	HHCD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1C1CC1	763133452	ONOVDEVTWLLTDJ-AWEZNQCLSA-N	410.518	3.571	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(N2CCOCC2)cc1	764362286	KSGPLSYSTJMLAC-KRWDZBQOSA-N	424.501	3.867	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)nc1)NCc1cccc(Br)c1O	764763483	MKZAQSVUDPYRLD-UHFFFAOYSA-N	419.323	3.539	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(N2CCOC2=O)c1	765296927	KZJYUJCITRHNQU-SFHVURJKSA-N	409.530	3.703	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc([N+](=O)[O-])c1NC	765587973	CNCPNWYKLLRNKH-UHFFFAOYSA-N	408.252	3.767	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(N2CCOCC2)c(F)c1	765852340	VMGMIUOIVKUKPF-CRAIPNDOSA-N	405.464	3.870	10	20	HHCD	
CCCCc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1	765902677	BJLRCICJJFSTTN-UHFFFAOYSA-N	405.292	3.752	10	20	HHCD	
CC(F)(F)c1cccc(NC(=O)C(=O)NCc2cccc(Br)c2O)c1	765925671	JSDARQYDOZGIPW-UHFFFAOYSA-N	413.218	3.521	10	20	HHCD	
C[C@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO[C@H]1C1CC1	767953500	NWEUVDJOGFKMRU-GTCCEBARSA-N	423.504	3.761	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OC(C)C	767958889	TZSKDJDLDHBWSL-UHFFFAOYSA-N	417.481	3.780	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	768165350	CYZSXIDHUJMJHJ-OALUTQOASA-N	418.459	3.733	10	20	HHCD	
CCN(CC)c1ccc(CN(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	768192641	ADHKWYFBVMBPGK-JOCHJYFZSA-N	416.587	3.731	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(N3CCOCC3)cc2)C2CC2)CC1	768356708	ZXACRNODKQMBJL-UHFFFAOYSA-N	415.578	3.887	10	20	HHCD	
COc1cc(CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c(O)cc1C	768439924	QAFXCIMHOQSQKK-UHFFFAOYSA-N	409.313	3.974	10	20	HHCD	
CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc(Br)cc(OC)c2O)C1	769008529	ZLOZPJAOSQKESJ-KBPBESRZSA-N	413.356	3.680	10	20	HHCD	
Cc1cc(F)cc2c(=O)c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c[nH]c12	769041659	SBOFSIYBHILXPN-KRWDZBQOSA-N	410.445	3.503	10	20	HHCD	
O=C(N[C@H]1CCOC2(CCCCC2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	769172654	JVEKRPNESAJZJO-VQTJNVASSA-N	402.535	3.965	10	20	HHCD	
COc1ccc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1F	770355363	LQKKCVDSDDNTCB-QGZVFWFLSA-N	406.885	3.517	10	20	HHCD	
CCCCn1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)n1	771417049	JZWDOGWFRYXUCJ-SFHVURJKSA-N	404.942	3.745	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)CCc3ccccc3)cc2)CC1	774541122	TWKLLCYJTUDDSY-FQEVSTJZSA-N	407.558	3.677	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2cncc(Cl)c2)nc1-c1ccccc1	775206925	FRZZTYAFGXPGQT-UHFFFAOYSA-N	408.892	3.618	10	20	HHCD	
CC[C@H](NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	775502734	YTYKMTBLWLCJBU-HOTGVXAUSA-N	402.366	3.682	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775701468	XXYBHPXVUJAYHP-FPOVZHCZSA-N	416.610	3.564	10	20	HHCD	
CC(C)CS(=O)(=O)N1CCC(NCc2cc(-c3ccccc3)ccc2O)CC1	776957332	CJIANADCNFTKLO-UHFFFAOYSA-N	402.560	3.599	10	20	HHCD	
CCOc1cc(Cl)ccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	778818388	BFZQETHKQPSUQY-UHFFFAOYSA-N	406.885	3.769	10	20	HHCD	
O=C(Nc1ccnn1Cc1ccc(F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	779456630	OVQZXFYDHFXKGY-FQEVSTJZSA-N	424.476	3.989	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3cnc(Cl)cc3c2=O)c(C)n1-c1cccc(F)c1	782110403	IUTVCEQIDBYKTH-UHFFFAOYSA-N	410.836	3.874	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(SC(F)F)cc3)cc2)CC1	786259880	RQWQZKQLBDVDQW-UHFFFAOYSA-N	419.497	3.600	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCSC(C)(C)CC3)cc2F)C[C@@H](C)O1	788885693	ZNSJINGIIYDFSK-HZPDHXFCSA-N	409.571	3.866	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2cc(F)ccc2OC)cc1	789060690	JFCUSWLKAZTTLE-MRXNPFEDSA-N	415.509	3.516	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(OC(F)F)c(F)c1	790478207	KWLQWMMWBNTDTG-UHFFFAOYSA-N	401.391	3.746	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)N1CCCCCC1	791249381	FTASCQVZVYPSBJ-SFHVURJKSA-N	403.567	3.640	10	20	HHCD	
CC[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(Cl)c(Cl)c1O	793566203	RYYYRRPHRXTUEF-HNNXBMFYSA-N	410.301	3.820	10	20	HHCD	
CCOC(=O)c1scnc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O	794933109	GMEJMCPOQOAKCB-NTEUORMPSA-N	419.553	3.792	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC4(C3)OCCO4)cc2Cl)C1	800720557	URJNXBMWAHPJLT-MRXNPFEDSA-N	407.942	3.625	10	20	HHCD	
O=C(N[C@H]1CCc2c(O)cccc21)C(=O)N(Cc1ccccc1O)C1CCCCC1	804400342	GDDHLCWRAVMPJM-FQEVSTJZSA-N	408.498	3.563	10	20	HHCD	
Cc1cc(CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1Cl	805024210	PYYNCFITNKROFF-UHFFFAOYSA-N	413.949	3.817	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2cccc(OC)c2)CCCC1	805292143	HJVUOQPPIMNFQI-UHFFFAOYSA-N	424.541	3.768	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCOC[C@@H]3[C@@H]3CCCO3)cc2Cl)C1	805450703	NRICAFWTCGMHNJ-HBGVWJBISA-N	421.969	3.666	10	20	HHCD	
COc1ccccc1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807673030	LXMGAZSRRYCPLL-UWJYYQICSA-N	409.530	3.692	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(-c2cccnc2)c1	807685326	MVMFLOXXKZTWND-UHFFFAOYSA-N	417.509	3.899	10	20	HHCD	
Cc1cccc([C@@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)C(C)C)c1	809511033	KPMALZJRPNDRLH-SFHVURJKSA-N	401.488	3.910	10	20	HHCD	
CN(C)c1cccnc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	810451103	NLRBRFJGGYVYQB-UHFFFAOYSA-N	402.458	3.818	10	20	HHCD	
O=C(CN1CCN(Cc2cc(Cl)c(F)cc2O)CC1)Nc1ccccc1Cl	816482797	TZMSWXGATHEDGD-UHFFFAOYSA-N	412.292	3.594	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc([C@@H]4C[C@H]4C)o3)C3CC3)CC2)cc1	915057409	ZGXQNIJMYPPOBD-WZONZLPQSA-N	423.557	3.725	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc2c1OCO2	915851084	LHWZSVVZICMYMN-VIZOYTHASA-N	415.448	3.528	10	20	HHCD	
CCOc1cc(C(=O)NCc2ccc(N(CC)CC)cc2)c([N+](=O)[O-])cc1OC	916503199	YBFUSIQVIIHQCB-UHFFFAOYSA-N	401.463	3.778	10	20	HHCD	
COc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)n[nH]2)cc1OC	916947151	FODHPIQHMWIRKF-UHFFFAOYSA-N	418.457	3.544	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2F)C[C@@H](C)O1	917086203	IXUUZSWGZUHOLC-TXEJJXNPSA-N	405.455	3.669	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1C(=O)CN(/C=C/c2ccccc2)C1=O	917487319	XQVSRSYSABFODO-CCEZHUSRSA-N	406.530	3.856	10	20	HHCD	
CCc1cccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	917708695	DWUFUDIIPJBHJW-IRXDYDNUSA-N	400.494	3.697	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccccc4)c3)cc2F)C[C@@H](C)O1	917712665	QDTQRNBOGWREEE-CALCHBBNSA-N	408.477	3.555	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnn(-c4ccccc4)c3)cc2F)C[C@H](C)O1	917712672	QDTQRNBOGWREEE-IRXDYDNUSA-N	408.477	3.555	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4ccccc4c3)cc2)C1	918025275	MYTFSDFDUUWKIG-HXUWFJFHSA-N	402.498	3.863	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1	918201459	HZMLGIJBVWMLOE-NRFANRHFSA-N	409.509	3.994	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCn3cc([N+](=O)[O-])nc3C)c2C)cc1	920905752	MXBZFLLWMCQOLN-UHFFFAOYSA-N	424.457	3.632	10	20	HHCD	
O=C(COC(=O)Cn1cc(C2CC2)nn1)Nc1ccc(N=Nc2ccccc2)cc1	1319228875	VCFVSNHODRNWLR-UHFFFAOYSA-N	404.430	3.753	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(SC(C)C)cc1	1320271875	FWUKKDRVJCNZMG-KRWDZBQOSA-N	403.500	3.503	10	20	HHCD	
Cc1ccc(CC2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1	1320867977	MDVDCRORJKDIJR-UHFFFAOYSA-N	407.558	3.996	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H](C(N)=O)c3ccc(Cl)cc3)cc2)CC1	1339877386	QSWIAFXASVZXTD-FQEVSTJZSA-N	414.937	3.602	10	20	HHCD	
COc1cc(Br)c(/C=C2\SC(N3CCCCC3)=NC2=O)cc1OC	7701148	KDQLQQLZJBFYPY-DHDCSXOGSA-N	411.321	3.923	10	20	HHCD	
COc1ccc(NC(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)c(OC)c1	29922895	YVZDIFOKLDJZFU-UHFFFAOYSA-N	410.392	3.994	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1	65698141	IZKBORDFBNOVBI-AVRDEDQJSA-N	413.518	3.568	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc(I)cc1	79308290	SBYPHMRSIJLFDD-UHFFFAOYSA-N	404.298	3.660	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccccc3)[nH]n2)cc1	109702295	UPWNQUAAGAYMOG-OAQYLSRUSA-N	404.514	3.964	10	20	HHCD	
Cc1nc(-c2ccccn2)nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C	301175424	LZESDVJBAODVGP-UHFFFAOYSA-N	407.493	3.868	10	20	HHCD	
COc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	303227017	WOSGUKRGALNKAK-HXUWFJFHSA-N	413.493	3.718	10	20	HHCD	
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCOc2cc(N(C)C)ccc21	443999538	CYGOBBAVAFNDHA-HXUWFJFHSA-N	415.921	3.586	10	20	HHCD	
Cc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1[N+](=O)[O-]	726564406	IWCSYFYUVKSHII-UHFFFAOYSA-N	405.401	3.903	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)c2C)c1	726622519	KOHRWOQWLZSBJH-MRXNPFEDSA-N	411.527	3.541	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCN(C(=O)OC(C)(C)C)C(C)C)CC2)cc1	727143396	SYNNRXYRROXJEP-UHFFFAOYSA-N	419.566	3.770	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnn(-c3ccccc3)n2)cc1	728838953	BSVMAZNZCXHXOK-UHFFFAOYSA-N	403.408	3.538	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCc4cc(F)ccc43)cc2F)CC1	730122267	LMABCPPRSGFALA-NRFANRHFSA-N	414.500	3.593	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(Oc4ccccn4)cc3)CC2)cc1	733793725	TVZARYRYFAFYQK-UHFFFAOYSA-N	418.497	3.643	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)CC2)cc1	740456782	CNWDOJBCIMCKRQ-JOCHJYFZSA-N	411.502	3.607	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1	742391483	JTUMNWVZXBKHRT-YADARESESA-N	417.557	3.730	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(O)nc2ccccc12	742802572	ZXOOILKAQOGTEA-AWEZNQCLSA-N	413.424	3.941	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCCN(c4nc(C)ns4)CC3)c2C)c1	742850295	YJWCTEFNZKICDN-UHFFFAOYSA-N	409.559	3.915	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H](C)c3ccc(C)cc3C)CC2)cc1	742940796	YDNNZKOSMHHQOJ-NRFANRHFSA-N	424.589	3.837	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(F)cc3F)cc2F)C[C@@H](C)O1	746221837	PVHNFQNBXWSXDY-OKILXGFUSA-N	407.436	3.717	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CC2(O)CCCCC2)NC(=O)OC(C)(C)C)cc1	746316986	IJMPUIXPYOCWML-LJQANCHMSA-N	419.566	3.520	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)cc1F	746763753	BRTXHIIVRCVILL-UHFFFAOYSA-N	422.386	3.813	10	20	HHCD	
COC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccco1	746769957	IEXPVNHSYNVDEI-WMLDXEAASA-N	409.433	3.537	10	20	HHCD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	747831647	XGXQKLZJKWFXMN-GAJHUEQPSA-N	419.566	3.641	10	20	HHCD	
Cc1cc(C(=O)CN2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)c(C)n1-c1cccc(F)c1	749546315	OSYMQRLIOMXRBI-NGYIFUPDSA-N	413.537	3.599	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CCN(C)c4ccccc43)cc2F)C[C@@H](C)O1	750728405	JJBPGJKBCVDEKJ-QKLQHJQFSA-N	411.521	3.679	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1	751319143	UCKHIUAJNVXPCX-QMMMGPOBSA-N	421.258	3.655	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2nccn2CCCc2ccccc2)c1	751611890	KBBBYBKZIPROFM-QGZVFWFLSA-N	408.502	3.791	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccccc3Cl)cs2)cc1	751930279	CAWGSBKNFWVWIK-UHFFFAOYSA-N	401.875	3.765	10	20	HHCD	
Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	752007910	QXMDAYZVMMTUQH-IRXDYDNUSA-N	412.490	3.861	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(-c2ccccc2)on1	754452391	DOYUTRJCTDRZQO-UHFFFAOYSA-N	406.486	3.872	10	20	HHCD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	754551395	WDZKKCMDHKEIBN-HNNXBMFYSA-N	418.493	3.685	10	20	HHCD	
CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)N(C)Cc2ccccc2O)cc1	756130596	CNYGCQLDERSZNL-QGZVFWFLSA-N	413.518	3.590	10	20	HHCD	
C[C@H](NC1CCN(C(=O)c2ccco2)CC1)c1cc(Br)cc(F)c1O	756393568	SCPDZBSWPZHPMX-NSHDSACASA-N	411.271	3.842	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccccc1)c1cc(Br)cc(Cl)c1O	756398710	XXCJYGJAEYRHGJ-YPMHNXCESA-N	400.700	3.899	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3cc(Br)c(F)cc3O)cn2)CCO1	756431617	OEGHLFCZMLKKLS-QWHCGFSZSA-N	424.314	3.765	10	20	HHCD	
C[C@H](Nc1ccc(N2CC[C@@H](N(C)C)C2)cn1)c1cc(Br)ccc1O	756858486	UYBACFUPHTZURQ-XJKSGUPXSA-N	405.340	3.863	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC=C(c4ccccc4)C3)cc2F)CC1	758466536	DAYXZEBZAGSMSK-UHFFFAOYSA-N	408.521	3.576	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)c(C)n1-c1cccc(F)c1	763259396	JGNCSGXVJLQABX-UHFFFAOYSA-N	421.476	3.778	10	20	HHCD	
COc1ccc(C)nc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	765292697	GKVMMHLORHNELC-UHFFFAOYSA-N	406.433	3.791	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCCc2cccnc21	766421499	WYHOQDYGSFZDAI-GOSISDBHSA-N	419.447	3.673	10	20	HHCD	
CCCCCn1cc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1	767207170	ZIHPCIHERZNHPA-GOSISDBHSA-N	413.566	3.779	10	20	HHCD	
COc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	768945557	RBVXIPAIKSMOAG-UHFFFAOYSA-N	413.493	3.858	10	20	HHCD	
CC(C)[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)S(=O)(=O)C1CCCCC1	769563059	ULPFCEBMFWAURL-OAQYLSRUSA-N	407.576	3.659	10	20	HHCD	
C[C@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	769905002	SRIHARYXVQLJDP-GJZGRUSLSA-N	414.461	3.845	10	20	HHCD	
CCS(=O)(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)CC1	770033803	GBRKQIXMXMYRES-UHFFFAOYSA-N	416.587	3.793	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1	770631042	PSHPHAJLLOYCLZ-UHFFFAOYSA-N	424.457	3.519	10	20	HHCD	
Cc1ccc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)n1	771374610	LLRBYCNPWWRGFL-SFHVURJKSA-N	420.536	3.805	10	20	HHCD	
CCOC(=O)c1csc(=O)n1CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	771750239	NLSSBBGOCKAZSO-UHFFFAOYSA-N	402.447	3.516	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCCC[C@@H]2CNC(N)=O)cc1	772694079	JZCMUIFAJFYZBL-GOSISDBHSA-N	408.506	3.831	10	20	HHCD	
COc1ccc(-c2nc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cs2)cc1OC	773751036	ZZNXMFOZVNROSN-GFCCVEGCSA-N	414.483	3.600	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccc(N(C)C)cc1	773857367	NCHBPGYXYWDNDV-CYBMUJFWSA-N	409.408	3.510	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC(C)(C)S(=O)(=O)CC2)cc1)C1CCCCC1	774821732	RAYCHYLFAGMNIK-UHFFFAOYSA-N	421.607	3.564	10	20	HHCD	
CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	775727072	HKMNLIXNRVENPA-HRAATJIYSA-N	417.550	3.954	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](C1CCCC1)C(F)(F)F	775772405	HFWNPAVAGQSGJG-KRWDZBQOSA-N	403.420	3.583	10	20	HHCD	
Cc1cc(CC(=O)NCc2nc(C(F)(F)F)n[nH]2)c(C)n1-c1ccc(Cl)cc1	775906450	JIEHUPSQUGGSBW-UHFFFAOYSA-N	411.815	3.743	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCc2ccc(N3CCSCC3)cc2)C1	777776643	JDWNWPLPYPLQHW-SFHVURJKSA-N	419.591	3.503	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(C)c1C	785194877	LURBPKUNCBDMPG-UHFFFAOYSA-N	405.292	3.759	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)cs1	787036639	CONFRVVNLORIRW-LBPRGKRZSA-N	414.453	3.559	10	20	HHCD	
COc1cc(Cl)cc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1O	787437846	FCJOKLZKPLRUHE-QGZVFWFLSA-N	410.848	3.613	10	20	HHCD	
CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	787870347	FRHRSNWWJXXFPI-SFHVURJKSA-N	423.557	3.908	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H]1CC2(CCC2)C(=O)O1	790165933	YEAMXTYBJNNCIC-HNNXBMFYSA-N	400.500	3.919	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@H](C)[S@@](=O)[C@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	792395939	WJOYZYRHIVOBMR-FATJZJKBSA-N	424.513	3.720	10	20	HHCD	
Cc1cc(S(=O)(=O)N(C)C)cc(NCc2cc(Br)ccc2O)c1C	796403208	ZQIBONZLXYDFLS-UHFFFAOYSA-N	413.337	3.634	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1O	797997383	KVPSMYPIKRRQIK-IFXJQAMLSA-N	409.935	3.821	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C)ccc2OCc2ccccc2)c1	799832629	AGBJVHXAGOVTJY-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(Cl)ccc1C(C)(C)C	802572888	LEXXNIVJNXFYSG-LBPRGKRZSA-N	404.894	3.735	10	20	HHCD	
Cc1[nH]c2ccc(CNC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2c1C	803325437	LXJAPIPASBIGAM-UHFFFAOYSA-N	418.541	3.658	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N(C3CC3)[C@H]3CCCc4ccccc43)ccc21	803688540	TWSHHIYDAPFGTI-DEOSSOPVSA-N	417.553	3.754	10	20	HHCD	
O=C(CN1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc(N=Nc2ccccc2)cc1	805811828	UVQYVPTVIYMTQQ-GOSISDBHSA-N	405.502	3.985	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1O	806131119	GNIPMLZQUIELAS-UZLBHIALSA-N	401.938	3.988	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H](c3ccccc3)N(C)C)CC2)cc1	806683184	BETAOEBNNOYKPU-MBSDFSHPSA-N	410.562	3.655	10	20	HHCD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	807005466	AGUCLOJIXNJNBE-UHFFFAOYSA-N	423.439	3.634	10	20	HHCD	
COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290253	RZYMVWUTXGUJQW-JOCHJYFZSA-N	421.541	3.591	10	20	HHCD	
Cc1ccccc1O[C@@H](C)CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	807636531	XTEIGWJGWFCMLN-FQEVSTJZSA-N	423.557	3.527	10	20	HHCD	
COc1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc(OC)c1O	809613557	YOBJILLKRSIQLI-UHFFFAOYSA-N	408.445	3.769	10	20	HHCD	
C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1	812716653	DKGZNCMFKGSGOY-RXVVDRJESA-N	403.567	3.648	10	20	HHCD	
O=S(=O)(NCc1ccco1)c1cccc(NCc2cc(Cl)c(F)cc2O)c1	816590368	YHAMMTUDGRJJBS-UHFFFAOYSA-N	410.854	3.868	10	20	HHCD	
CC(=O)N[C@H](C)C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1	912658632	BLFUHIDZFAKETG-GFCCVEGCSA-N	400.479	3.820	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)n2)s1	914791197	KNLSJCDMBHCYBM-UHFFFAOYSA-N	407.542	3.642	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1N1CCCCCC1	915778688	PHCQWMRLQPTXNA-UHFFFAOYSA-N	420.557	3.922	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)c2ncccc12	915778907	TYXGRZWLALYBBN-UHFFFAOYSA-N	408.889	3.743	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1	915807907	QBROJYMLAGXUKW-UHFFFAOYSA-N	422.504	3.528	10	20	HHCD	
Cc1cc(N)nc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1	920425718	SXHVABYOTNZKCU-UHFFFAOYSA-N	410.499	3.521	10	20	HHCD	
Cc1ccc(NC(=O)NC(=O)[C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1	920870924	UPPCKKFHGLRCRF-RTBURBONSA-N	424.545	3.527	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(n3cc(Cl)cn3)CC2)c1O	1323596696	VWJQOLMQBSZKHZ-UHFFFAOYSA-N	400.704	3.850	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1Cc2ccc(O)cc2C2(CC2)C1	1324706687	OHMXXWVWVKAMPN-UHFFFAOYSA-N	409.555	3.702	10	20	HHCD	
COc1ccc([C@H](C)NCc2ccc(N3CCN(C)CC3)c(F)c2)c(C)c1OC	1346913736	SBOMZPOWOOSTDA-KRWDZBQOSA-N	401.526	3.754	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3c(CC)oc4ccccc34)nc12	97475831	KGYWPKKIXBKZKU-UHFFFAOYSA-N	408.458	3.552	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCOc1ccc(Cl)cc1	108069644	LAEPLHKQEBYDAJ-UHFFFAOYSA-N	402.922	3.994	10	20	HHCD	
CCN(CC)c1ccc(CNC2CCN(C(=O)Cc3ccccc3OC)CC2)cc1	236957821	SPYRUTDZOJGHJQ-UHFFFAOYSA-N	409.574	3.865	10	20	HHCD	
CC1CCN(c2ccc(CNc3ccc(S(=O)(=O)N4CCCC4)cn3)cc2)CC1	301187074	FGNMWLQXUNKNPS-UHFFFAOYSA-N	414.575	3.715	10	20	HHCD	
CC(=O)Nc1ccc(CCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	303416080	WOLJRGWRFICFQQ-UHFFFAOYSA-N	408.546	3.923	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)n(C)c2ccccc12	472789713	PJKQPPNVSKIKCI-UHFFFAOYSA-N	421.831	3.996	10	20	HHCD	
COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cccc(F)c3F)n2)c1	727245778	DHQLCUFJWLMNIQ-UHFFFAOYSA-N	412.439	3.906	10	20	HHCD	
O=C(COc1ccccc1OCC(F)(F)F)NCc1ccc(N2CCCC2)cc1	727674370	SKYWPNSHACYVKH-UHFFFAOYSA-N	408.420	3.923	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2)c1	729061316	APHHBJDSNGSCSL-INIZCTEOSA-N	420.465	3.796	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCO[C@@H](c2ccccc2)C1	729857735	GOCYBFFIFQGLTJ-JOCHJYFZSA-N	411.571	3.913	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)/C=C\c3ccc4ccccc4n3)cc2F)CC1	730192873	NZBPBLCMOYJGDT-BENRWUELSA-N	418.516	3.845	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cncc(-c3cnn(C)c3)c2)cc1	731169650	SJDMPYOPXHVDCC-UHFFFAOYSA-N	417.435	3.753	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1	731283874	HLFWXLBJMILFTF-OAQYLSRUSA-N	415.509	3.526	10	20	HHCD	
O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1cc(O)cs1	732270537	WRQZJAARZYPHOG-UHFFFAOYSA-N	407.539	3.706	10	20	HHCD	
CCS[C@@H]1CCCCN(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1	732592431	KCGHWUHZTYOOKR-LJQANCHMSA-N	422.614	3.785	10	20	HHCD	
CN(CCc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	733648211	SIJIMUHXFSLJPH-UHFFFAOYSA-N	419.928	3.824	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cc(Br)c(F)cc1F	734500707	QZPYGIJLQDSQHR-UHFFFAOYSA-N	419.291	3.580	10	20	HHCD	
CCOc1ccc(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1	739924683	TZCYUQDATYOAST-GOSISDBHSA-N	421.419	3.828	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)cc1	741540269	QIMWMMDHPYTVAO-NRFANRHFSA-N	403.473	3.695	10	20	HHCD	
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	741712467	WIWDCOLYTDSKLL-RXVVDRJESA-N	400.567	3.513	10	20	HHCD	
CC[C@H]1c2ccsc2CCN1C(=O)CN(C)c1cc(OC)c(OC)c(OC)c1	741795776	PZDFVFSNMBPWSJ-INIZCTEOSA-N	404.532	3.746	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1C(C)(C)C	742798147	KKHVRWBIJJANTJ-OAHLLOKOSA-N	406.477	3.947	10	20	HHCD	
CCOc1ccc(OCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742800821	UFJANMGKXHIOLD-MRXNPFEDSA-N	420.456	3.851	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccncc1	743555223	SKZCKDWJIRYZDS-LJQANCHMSA-N	422.451	3.888	10	20	HHCD	
CC(C)N(C)c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1F	743956962	ZIKPLAXUFZZBFO-UHFFFAOYSA-N	413.493	3.510	10	20	HHCD	
C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)CCCN2C	746811936	UTOFDTNXKVNKIP-OAHLLOKOSA-N	415.534	3.585	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)c2)cs1	747018302	YXUDGNKYTIIUJQ-UHFFFAOYSA-N	420.538	3.756	10	20	HHCD	
COc1ccccc1CN(Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O)C1CC1	747788256	QEFXGOFTEPIZIL-UHFFFAOYSA-N	424.541	3.600	10	20	HHCD	
CN(C(=O)/C=C/c1cccnc1)c1ccc(NC(=O)/C=C\c2cccnc2)cc1F	747877737	WCDZRHPBNOTJBX-NAKBGQTNSA-N	402.429	3.944	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCN1C1CCCC1	749255483	CKOOHBMIEWAAEZ-JXFKEZNVSA-N	407.505	3.780	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3cccc(Cl)c3)cs2)cc1	751919762	RGIAEZOKQXHMDZ-UHFFFAOYSA-N	401.875	3.765	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1	753636283	LSEFRWSLXQLFAN-HNNXBMFYSA-N	420.444	3.574	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)cc1F	753739615	UCBLOKSSRFQSFG-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@H](C2CCOCC2)C1	755077410	KGQODJZMZAGVRE-ROUUACIJSA-N	423.504	3.715	10	20	HHCD	
C[C@H]1C[C@@H](NCCNC(=O)c2ccc(Br)cc2)c2c(O)ccc(F)c21	756459332	MOPBVNUZIWPVAT-XHDPSFHLSA-N	407.283	3.862	10	20	HHCD	
Cc1cc(Br)cn2cc(CCN[C@H](C)c3cc([N+](=O)[O-])ccc3O)nc12	757690239	ROMXXIFWXUSBIC-GFCCVEGCSA-N	419.279	3.912	10	20	HHCD	
O=C(NC1CCN(c2cccnn2)CC1)N(Cc1ccccc1O)C1CCCCC1	759615460	ZNUHNJQCTFBGNU-UHFFFAOYSA-N	409.534	3.696	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(OC)c1O	761201883	HTRLRNWGPJIDSW-KRWDZBQOSA-N	404.894	3.974	10	20	HHCD	
COc1ccccc1C1(CNC(=O)NCc2cccc(Br)c2O)CC1	764767412	BFGPKWOOJCZTAB-UHFFFAOYSA-N	405.292	3.694	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@@H]1CCN(c2ccc(F)cc2)C1	764767818	PAWVCHQJDVNFHU-ZDUSSCGKSA-N	422.298	3.620	10	20	HHCD	
O=C1CCCc2cc(NC(=O)NCc3cccc(Br)c3O)ccc2N1	765278480	PXYGOHOQMYWRBP-UHFFFAOYSA-N	404.264	3.751	10	20	HHCD	
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2cccc(Br)c2O)C(C)C)cc1	765751206	AEEBGMFAVQGYOX-QGZVFWFLSA-N	419.319	3.534	10	20	HHCD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc2C[C@@H]1C	766892883	XIMFJDDXWVBELY-VIFPVBQESA-N	415.298	3.797	10	20	HHCD	
C[C@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO[C@@H]1C1CC1	767953504	NWEUVDJOGFKMRU-ZWDAVXSWSA-N	423.504	3.761	10	20	HHCD	
O=C(C[C@H]1OCCc2ccccc21)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768916442	QNRFQVDMIWDDPA-SIKLNZKXSA-N	414.933	3.830	10	20	HHCD	
Cc1ocnc1-c1noc(CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1	771723316	GUEPZQNHICCKQY-XYOKQWHBSA-N	418.525	3.929	10	20	HHCD	
C[C@@H](NC(=O)c1cc(I)ccc1F)c1ccc(N(C)C)cc1	773022616	HPQXJAIYZKMNKF-LLVKDONJSA-N	412.246	3.987	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c1O	775070157	YFRJHDHRLSOAJN-UHFFFAOYSA-N	423.473	3.830	10	20	HHCD	
CCN1CCN(C(=O)Cc2ccc(NCc3cc(Cl)cc(F)c3O)cc2)CC1	775757520	HHTUBOPKHSKWPQ-UHFFFAOYSA-N	405.901	3.503	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1	779513593	VRINIZJQNTXJRF-LUAWRHEFSA-N	400.390	3.550	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)cc2)C1	782726268	OSYFVIAWIGIYTK-USXIJHARSA-N	417.962	3.523	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCSCc1ccccc1	785391549	RRSKODQEEKYJHL-UHFFFAOYSA-N	413.587	3.539	10	20	HHCD	
Cn1nc(-c2ccsc2)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	787554766	HLBUPSOCXFGAGE-UHFFFAOYSA-N	423.542	3.893	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1	789381416	DTWDCMBZWFYGMO-UHFFFAOYSA-N	403.482	3.626	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(OC(C)C)c1	789737621	PTCDZCIAKVSKBR-UHFFFAOYSA-N	400.544	3.966	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(-c2ccco2)cc1F	790502540	UBPYFOFWTYGIIA-UHFFFAOYSA-N	409.461	3.922	10	20	HHCD	
CC[C@@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(C)cc1O	794798031	RMJYXKWYOHGRDA-JOCHJYFZSA-N	411.546	3.602	10	20	HHCD	
COC[C@@H](c1ccc(Cl)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	794798876	XBQRGVQJCSPNMK-INIZCTEOSA-N	409.269	3.851	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1	797736260	NHVATZNJFZDBHD-UHFFFAOYSA-N	400.822	3.554	10	20	HHCD	
CNS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1	798144179	WFRMMXXUAFTRIA-UHFFFAOYSA-N	412.515	3.531	10	20	HHCD	
Cn1cc(/C=C/C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)cn1	799380683	FXSJLWVBBVCOFA-GORDUTHDSA-N	420.698	3.806	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccccc3S[C@H](C)C(N)=O)cc2)CC1	801154542	PFITZECTNVLYRB-QGZVFWFLSA-N	411.571	3.819	10	20	HHCD	
Cc1cc(C(=O)OCc2ncnn2CCF)c(C)n1-c1ccc(Br)cc1	801220798	QKBGVCVTOAKQCB-UHFFFAOYSA-N	421.270	3.775	10	20	HHCD	
CS(=O)(=O)Cc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F	806347530	MPMSBPFXIPLALW-UHFFFAOYSA-N	421.277	3.704	10	20	HHCD	
CC(C)(C)Nc1ccccc1NC(=O)C(=O)NCc1cc(Br)ccc1O	807387036	WCQAEJQSXXJUII-UHFFFAOYSA-N	420.307	3.620	10	20	HHCD	
CCCOc1cc(F)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807512745	HMCJBHWCJDNHBA-UHFFFAOYSA-N	415.248	3.882	10	20	HHCD	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807676009	BVLBDKZVKPBHSW-VGSWGCGISA-N	413.537	3.795	10	20	HHCD	
CCOc1ccc(-n2c(SCC(=O)C(C)=O)nnc2-c2cccc(OC)c2)cc1	808013998	CJQPLLHDFKGDGU-UHFFFAOYSA-N	411.483	3.592	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)c2cn(C)cn2)c(C)n1-c1ccc(OC(F)F)cc1	811227174	DUECJSCFSSBMBB-AWEZNQCLSA-N	417.412	3.857	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@@]4(CCc5ccccc5O4)C3)CC2)cc1	812024287	KYJKGPKKKIOLKQ-VWLOTQADSA-N	421.541	3.843	10	20	HHCD	
CN(C)S(=O)(=O)c1ccc(NNC(=S)Nc2cc(Cl)cc(Cl)c2)cc1	812261420	NHTBHULBPJUNSZ-UHFFFAOYSA-N	419.359	3.557	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1	813400019	VCTTUZDMYPJQRN-UHFFFAOYSA-N	421.379	3.742	10	20	HHCD	
CC(C)Oc1ncccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472058	FRCCTLIKJWOMJJ-KRWDZBQOSA-N	403.910	3.622	10	20	HHCD	
C[C@@H](c1ccco1)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	914496337	WWAAUFXRYPKSJP-LBPRGKRZSA-N	404.378	3.796	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(c2ccccc2)CC1	916456668	LZOSNLYXCXIXDX-UHFFFAOYSA-N	404.432	3.890	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1C[C@@H]2CCC[C@H](C1)C2=O	916456997	VCLZWFVICXCVPD-FKEKPDDDSA-N	424.463	3.554	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1Br	917383746	KPKMRGMRHWMCPC-UHFFFAOYSA-N	421.360	3.941	10	20	HHCD	
C[C@@H](c1ccccc1F)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918220674	IYUKCJFNALRGOQ-HNNXBMFYSA-N	403.473	3.829	10	20	HHCD	
CCCCCNC(=O)C1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)CC1	918227999	DKQZBTBSPRIBEL-UHFFFAOYSA-N	402.583	3.761	10	20	HHCD	
Cc1csc(CCCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	1318889337	IIIJKQYZNKRJRY-OAHLLOKOSA-N	424.517	3.954	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1cccc(NC(=O)CCN2CCOCC2)c1	1320244157	BMGSJNBMCJJWPU-GHTZIAJQSA-N	423.557	3.700	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)S(=O)(=O)c3ccc(C)cc3)ccc21	1326362123	OZZJPYFURZYKES-UHFFFAOYSA-N	414.527	3.674	10	20	HHCD	
C[C@H](NCC[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	1340541499	OIALCOWUGHGTRV-IRXDYDNUSA-N	409.546	3.958	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1	10308390	WQLSTHKFUUUFLA-UHFFFAOYSA-N	410.905	3.839	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3c[nH]nc3-c3ccc(C)cc3)CC2)cc1	29655056	YAAUPBSRMGJSFM-UHFFFAOYSA-N	419.573	3.696	10	20	HHCD	
COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC	51283580	BUOMETSLDMYCRL-OAQYLSRUSA-N	411.546	3.565	10	20	HHCD	
C[C@H](SCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1	96956943	GLDHKXBKXSGZPR-KRWDZBQOSA-N	424.570	3.852	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)NCC(=O)O)cc3)c2C)c1	237655169	AJPZEJSNSGPULF-UHFFFAOYSA-N	419.481	3.778	10	20	HHCD	
Cc1c(CNC(=O)Cc2csc(NC(=O)c3ccco3)n2)n(C)c2ccccc12	471219345	QXNHQTTYDDYAFL-UHFFFAOYSA-N	408.483	3.647	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(Cl)c(F)c1Cl	530490784	NFXWMZRXUDBJOH-UHFFFAOYSA-N	405.278	3.786	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)ccc21	728636786	AADPKUBWZKXIEY-GOSISDBHSA-N	400.519	3.708	10	20	HHCD	
CN(C)c1ccc(CN(Cn2nnn(C(C)(C)C)c2=S)CC(F)(F)F)cc1	728904315	LDLXKBWVQNMEPA-UHFFFAOYSA-N	402.490	3.652	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1	728937683	GXMBCMOPZXWIEA-ZIAGYGMSSA-N	404.536	3.972	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2COc2ccccc2)c1	729061945	MLUUROWAUOURBD-MRXNPFEDSA-N	420.465	3.796	10	20	HHCD	
C[C@H](c1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1)N1CCOCC1	729576528	UYDBNQVOQCIJDH-MRXNPFEDSA-N	400.498	3.607	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CCC3)cc2F)CC1	730194058	YHMYAFAWMFMIEN-UHFFFAOYSA-N	413.512	3.845	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1	731281045	ONIYYCAVEVXDKV-UHFFFAOYSA-N	424.589	3.522	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1	736357617	WGSXTHGGOYKYOS-SFHVURJKSA-N	403.567	3.901	10	20	HHCD	
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	741712465	WIWDCOLYTDSKLL-NQIIRXRSSA-N	400.567	3.513	10	20	HHCD	
O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2nonc12	742423466	MNFUQXJLMZNPGB-LLVKDONJSA-N	405.361	3.813	10	20	HHCD	
CCOC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	742758590	BHAOPQVHVRJKII-IBGZPJMESA-N	416.566	3.876	10	20	HHCD	
C[C@H]1CN(Cc2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cc2)C[C@H](C)O1	743715662	AELOUCOMYPALIV-ROUUACIJSA-N	408.542	3.810	10	20	HHCD	
O=C(CN(Cc1cccnc1)c1ccccc1)NCc1c(O)ccc2c1CCCC2	743717001	FZIMXMSSSAOUOV-UHFFFAOYSA-N	401.510	3.989	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(C(=O)NC2CC2)c1	745633962	VUTDKRBPQGCAKT-UHFFFAOYSA-N	408.546	3.765	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1NCc1cccnc1	751378515	KKPWPHXLJRENOV-UHFFFAOYSA-N	420.488	3.599	10	20	HHCD	
Cn1c(Cl)nc(Cl)c1CN[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	752264257	MAAJOCLQGQDTMV-CYBMUJFWSA-N	403.741	3.840	10	20	HHCD	
Cc1cc(NC(=O)COC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)n(C)n1	753013197	AVEBRZYMWINWOQ-UHFFFAOYSA-N	414.893	3.514	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(OC(F)(F)F)c1	753861408	JCDMXYHPTOAGFT-OAHLLOKOSA-N	423.435	3.982	10	20	HHCD	
O=C(O)[C@@H](Cc1ccc2c(c1)OCCCO2)NCc1cc(Cl)cc(Cl)c1O	756384523	BBFRCWLMRAIWOO-OAHLLOKOSA-N	412.269	3.646	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(CC)c(CC)c2)cc1	756936817	UOJNECUUSGCXNG-UHFFFAOYSA-N	410.561	3.764	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2C)c(OC[C@@H]2CCCO2)c1	757703262	RSBCQPZNWVMOAD-QFIPXVFZSA-N	411.546	3.927	10	20	HHCD	
COc1cc(N2CCN(CCSc3ccccc3F)CC2)cc(OC)c1OC	759873595	WGCKLWJUXPFICF-UHFFFAOYSA-N	406.523	3.766	10	20	HHCD	
COc1cc(N2CCN(Cc3ccccc3OC(C)C)CC2)cc(OC)c1OC	759878203	ISNYIGMPKFPSDP-UHFFFAOYSA-N	400.519	3.822	10	20	HHCD	
Cc1c(NC(=O)NCCc2ccc(O)c(O)c2)cnc(Cl)c1Br	760051134	OJUMXTLTTUPFEK-UHFFFAOYSA-N	400.660	3.581	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cnc(Cl)c(Br)c2C)c1	760065693	QPNRIMXCFYIZRG-UHFFFAOYSA-N	400.660	3.842	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C(=O)c2ccc(Cl)s2)cc1	760212923	NNTHMTUMWPGTGN-MRXNPFEDSA-N	406.935	3.858	10	20	HHCD	
COc1cc(Cl)cc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O	761216398	QKWABEIELWJUJL-OALUTQOASA-N	411.329	3.869	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(N2CCOC2=O)cc1	765287399	PTFDNNULOCVEFO-INIZCTEOSA-N	413.493	3.594	10	20	HHCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1	765610689	XHBCQXPHAMFPOH-QGZVFWFLSA-N	400.544	3.647	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ncnc3c2cnn3C(C)(C)C)cc1	766424500	YKEXPGKKIBJTNZ-LJQANCHMSA-N	408.550	3.833	10	20	HHCD	
C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc(N2CCSCC2)cc1	766872698	PJXXIDNMQZNARA-IERDGZPVSA-N	417.550	3.690	10	20	HHCD	
COC(=O)CN(Cc1ccc(OC)c(OC(F)F)c1)Cc1cc(Cl)ccc1O	769382191	VIXVCTVSZGDTTE-UHFFFAOYSA-N	415.820	3.831	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(OC)cc3Br)c2)CC1	770148965	UEWFIVVQIDUYQI-UHFFFAOYSA-N	418.335	3.852	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCSC4(CCOCC4)C3)c2C)cc1	771581344	WMPMWDXHBNMXNM-UHFFFAOYSA-N	400.544	3.841	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1C(=O)OC(C)(C)C	772339986	JGJLROGHEIYSCL-PKOBYXMFSA-N	416.566	3.874	10	20	HHCD	
C[C@@H](NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc(N(C)C)cc1	773022003	CUAAQFJTXLXLBH-CYBMUJFWSA-N	403.408	3.843	10	20	HHCD	
CC(C)(C)[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F	775978580	GQILKSPDYCYFER-INIZCTEOSA-N	405.436	3.563	10	20	HHCD	
COc1ccccc1[C@@](N)(C(=O)NCc1ccc(N2CCCCC2)cc1)C(F)(F)F	776129020	QZOJKIRJVCRLLX-OAQYLSRUSA-N	421.463	3.718	10	20	HHCD	
CC[C@@H](NCc1cc(Br)cc(Br)c1O)[C@H](O)C(F)(F)F	776253643	MXSJNKAIEQARIE-KOLCDFICSA-N	421.051	3.709	10	20	HHCD	
C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	776324039	HKFNMEFIOFIYCX-QZTJIDSGSA-N	414.550	3.602	10	20	HHCD	
C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N2CCOCC2)cc1Cl	777041123	GFRQLCOQIRNDFE-CQSZACIVSA-N	400.910	3.540	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCOc2c(F)cccc21	778620403	LVDUZMCXSGJTPI-IBGZPJMESA-N	417.456	3.515	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1	779478505	JEMCGDHXYLXWRW-BENRWUELSA-N	410.451	3.551	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cnc(-c3ccccc3)nc2)cc1	780052354	YWQKREVHUUHOMR-UHFFFAOYSA-N	417.513	3.587	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	782648428	IQKAVSAGOPPOOO-MSOLQXFVSA-N	404.555	3.730	10	20	HHCD	
Cc1oc2c(CN3CCNC(=O)[C@@H]3CC(C)C)c(O)ccc2c(=O)c1-c1ccccc1	783537117	FKCZUKOKHIRXBS-FQEVSTJZSA-N	420.509	3.821	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)c(C)c1	784029752	HCFHNNKTJLZCSF-UHFFFAOYSA-N	405.292	3.840	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)ccc1OC(C)C	784030192	LCSRJCRSMPSNSN-UHFFFAOYSA-N	400.475	3.565	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)C2CCCCC2)cc1	784063037	ZFXQPLCQPQDRHL-UHFFFAOYSA-N	421.476	3.898	10	20	HHCD	
Cc1cccc(-c2cccc(CNC(=O)C(=O)NCc3ccc(N(C)C)cc3)c2)c1	785439114	LGTXWRVHUBFWBK-UHFFFAOYSA-N	401.510	3.661	10	20	HHCD	
C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1ccc(N2CCOCC2)c(F)c1	789767356	AGIJORWNAOIFPZ-KRWDZBQOSA-N	413.493	3.812	10	20	HHCD	
C[C@@]12CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@@H]1C2(Cl)Cl	790674189	TYABEACCDNIZNT-FUHWJXTLSA-N	414.402	3.965	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c(O)c1	794382281	UGKUYYULUCMHSV-KRWDZBQOSA-N	423.296	3.629	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3NC(C)(C)C)CC2)cc1	799253922	XRCBZAUUGWYOPP-UHFFFAOYSA-N	424.545	3.629	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3	801544766	AMQJFXZLCVFIJV-UHFFFAOYSA-N	411.527	3.861	10	20	HHCD	
CC(=O)c1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1F	806847251	MCJLBWNFJDNWGO-UHFFFAOYSA-N	411.477	3.616	10	20	HHCD	
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806878385	QTTZTEPSLOVOPS-FUHIMQAGSA-N	422.520	3.525	10	20	HHCD	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807287256	ICYNMWFIQATFGB-KRWDZBQOSA-N	403.482	3.645	10	20	HHCD	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)o1	807290500	XBNIZLDABNQDDW-UWJYYQICSA-N	407.514	3.580	10	20	HHCD	
CC1(c2cc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)no2)CCCC1	807513698	SUUYRLNFINHYDT-UHFFFAOYSA-N	412.273	3.774	10	20	HHCD	
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)c2ccccc12	807900099	AFLHFNGPLXZRHN-GFCCVEGCSA-N	402.447	3.547	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1	808094345	LCLNUZNYZVACGM-UHFFFAOYSA-N	417.889	3.671	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)O)c2)ccc1O	811703639	YBZBVVKZBAQXKB-UHFFFAOYSA-N	417.842	3.609	10	20	HHCD	
COc1ccc([C@H](O)C2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)cc1	813051814	UFPJNHOGVKMTQM-DEOSSOPVSA-N	423.557	3.733	10	20	HHCD	
CCNC(=O)NC(=O)[C@H](C)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814771779	FORPJCANDSMQBG-WULZRQGASA-N	419.553	3.839	10	20	HHCD	
CN(Cc1ccco1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	914751754	BFGFIDCNPXDFML-PTNGSMBKSA-N	406.554	3.981	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(N(C)c2ccccc2)nc1	916138247	BMWHFNFHCJCMFI-UHFFFAOYSA-N	416.525	3.958	10	20	HHCD	
CCNC(=O)c1ccc(C)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	916624790	QKKSGCZEKVZFRU-UHFFFAOYSA-N	412.559	3.620	10	20	HHCD	
Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc(N4CCCC4)cc3)n2)cc1	917183840	HHHAMCQNODFHPF-UHFFFAOYSA-N	407.543	3.789	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCN3CCCC[C@@H]3C)cc2F)C[C@@H](C)O1	918187478	BYMHPWOWZCWAQH-GBESFXJTSA-N	420.573	3.503	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)CC2)cc1	1319380795	LUTSNYKGXZPOAJ-UHFFFAOYSA-N	413.518	3.558	10	20	HHCD	
C[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1	145571390	ABVAVMAXFQKZEI-MRXNPFEDSA-N	411.527	3.527	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](Nc3cc(N4CCSCC4)ncn3)C2)cc1	302879554	HANXOPLYFOANTO-HNNXBMFYSA-N	421.517	3.712	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccccc2OC(F)(F)F)n(C)c2ccccc12	472783509	GCTSYNSMRCRHHU-UHFFFAOYSA-N	405.376	3.640	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(CC(F)(F)F)[C@H](C)C3)ccc21	535687962	HLVCTMPRPNQPCD-CQSZACIVSA-N	411.468	3.613	10	20	HHCD	
O=C(Nc1cc(-c2ccc(Cl)cc2)nn1CCO)c1ccc(C2=S=CC=C2)o1	542183865	OFTBFIPPNVVGFK-UHFFFAOYSA-N	413.886	3.667	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1	726104302	STIVJZCBXMBYFJ-SFHVURJKSA-N	404.555	3.589	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-]	731039096	UEVGWVJZRHTTGW-UHFFFAOYSA-N	403.504	3.618	10	20	HHCD	
C[C@@H]1CCC[C@@H](OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	732935568	RZCCJCKLWCMGEB-CRAIPNDOSA-N	414.468	3.754	10	20	HHCD	
O=C1/C(=C\c2ccc(Br)cn2)SC(=S)N1CCc1ccccn1	733813535	UHFSOYCJYAZJRD-NTEUORMPSA-N	406.330	3.683	10	20	HHCD	
COc1ccc(-c2noc(CCCC(=O)NCc3ccc(N(C)C)cc3C)n2)cc1	734407451	WSVJVMXTISIKIQ-UHFFFAOYSA-N	408.502	3.759	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1)C1CCCCC1	742416257	RFZDRFZZEWQOMX-LJQANCHMSA-N	409.530	3.713	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1F	742654310	UHVGOAQAXXXNTJ-JOCHJYFZSA-N	411.521	3.788	10	20	HHCD	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c2cccnc12	742654438	BANRUIRCEXQICI-UHFFFAOYSA-N	411.527	3.712	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](CN1CCOCC1)c1ccccc1	745358980	FXOPDTVECVZRNS-XMMPIXPASA-N	424.589	3.746	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cc4ccccc4cc3NS(C)(=O)=O)ccc21	746811905	SNJIGFSYUVZSHB-UHFFFAOYSA-N	423.538	3.524	10	20	HHCD	
CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1	747861052	XHZUUIMBCAJCGM-ISKFKSNPSA-N	423.557	3.833	10	20	HHCD	
O=C(N[C@H]1CCCc2occc21)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751060040	NRBCOLZHRSHSMA-HNNXBMFYSA-N	418.496	3.655	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(OC[C@H]4CCCO4)CC3)c2C)cc1	751435222	LTUYDHFOZAZLLC-JOCHJYFZSA-N	412.530	3.903	10	20	HHCD	
CCOC(=O)Cc1nnc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)s1	752452973	HEKZSXJTPNCXMB-UHFFFAOYSA-N	418.906	3.957	10	20	HHCD	
Cc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c(N2CCOCC2)c1	753744780	FCVOXSHXTGDBGI-UHFFFAOYSA-N	404.514	3.564	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(N2CCCC2=O)cc1	754548482	OZGUIBLTNNTVRT-UHFFFAOYSA-N	410.429	3.841	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC(=O)Nc2cc(C)c(Cl)cc2OC)c1	756634882	CSTVBARYKMMMLY-ZDUSSCGKSA-N	420.893	3.829	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(C(=O)NCc3ccccn3)c2)c1	756851923	XCRVCJACBPQJFE-OAHLLOKOSA-N	405.454	3.677	10	20	HHCD	
CC(C)CS(=O)(=O)N1CCC(N[C@H](C)c2ccc(Cl)c(Cl)c2O)CC1	756865315	QHLAXTGACBAJSC-GFCCVEGCSA-N	409.379	3.800	10	20	HHCD	
C[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)cc(F)c1O	757654918	DEISHKIDVJOWHZ-SJCJKPOMSA-N	422.298	3.531	10	20	HHCD	
CCNc1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)s1	757775377	YAIHOPJNKVNYTR-GOSISDBHSA-N	402.564	3.771	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1	757865458	AJMFRLJZZYYHQG-UHFFFAOYSA-N	416.522	3.597	10	20	HHCD	
O=C(OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(O)c1O	758562244	RULVJHCBOJVNKL-HNNXBMFYSA-N	410.253	3.925	10	20	HHCD	
CC(C)(CNC(=O)NCCCSc1nccs1)N1CCc2ccccc2C1	759563327	FSWGGWOKUDCJAI-UHFFFAOYSA-N	404.605	3.761	10	20	HHCD	
C[C@H](NC(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1)c1ccc(N2CCOCC2)cc1	759730213	ISQYWRKLSCFZGA-LLGFUMIMSA-N	415.559	3.817	10	20	HHCD	
O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1CCCSc1nccs1	761300708	REHZYYPSWCXTPH-LBPRGKRZSA-N	412.334	3.681	10	20	HHCD	
C[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N2CCOCC2)cc1	765129426	ZFCJNIRKXBRWJS-LJQANCHMSA-N	419.525	3.897	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccn(Cc2ccccc2)n1	765252399	OZLSRMWADWRNOQ-UHFFFAOYSA-N	401.264	3.721	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCCCO2	765285708	FAZXWXABQONADK-INIZCTEOSA-N	400.494	3.799	10	20	HHCD	
C[C@H](NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1	765851100	NKKYWPPXTUZCEA-OALUTQOASA-N	403.567	3.821	10	20	HHCD	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)cs3)ccc21	767671176	ITMDWZKKKGSMMT-UHFFFAOYSA-N	415.496	3.847	10	20	HHCD	
Cc1noc(C2CC2)c1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	768431270	PXXAUOKWJZXPTH-UHFFFAOYSA-N	419.484	3.681	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2COc2ccccc2)c1	769715288	WWKFIARKFQJRLN-UHFFFAOYSA-N	412.467	3.595	10	20	HHCD	
COc1cc(F)cc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	769735453	UMHCHCZZIPMQJS-MRXNPFEDSA-N	423.435	3.904	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1C2CCCC1CCC2	769921949	NHVLIJDIPMLIQY-UHFFFAOYSA-N	406.529	3.802	10	20	HHCD	
C[C@H](NC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773283711	QAEQUTBGEXQZLC-DLBZAZTESA-N	404.555	3.760	10	20	HHCD	
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	777264710	GKLHMKCKUSYZLX-PKOBYXMFSA-N	416.566	3.684	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3Br)ccc21	782167424	PCOUTBDUWZCTNV-UHFFFAOYSA-N	404.264	3.670	10	20	HHCD	
C[C@@H](Cc1ccccc1F)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	783222129	LQNFTQRFKFCZBD-SFHVURJKSA-N	423.511	3.802	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)nn1[C@@H]1C[C@H]2CC[C@H]1C2	784026058	AGHHDAOEIKJTKW-JENIJYKNSA-N	410.518	3.636	10	20	HHCD	
CCN1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1=O	787235131	IOCUDODWMQPIGO-UHFFFAOYSA-N	406.482	3.528	10	20	HHCD	
C[C@@H]1CN(c2ccnc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)C[C@@H](C)O1	789950674	UFIMEWRDVHSPPF-WOJBJXKFSA-N	422.573	3.958	10	20	HHCD	
COCCN(C)c1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1	790955503	QZIJWUADULLGOK-UHFFFAOYSA-N	420.504	3.524	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(CN3CCC[C@H]3C(N)=O)c2)c(C(F)(F)F)c1	792865664	YHVQGILBMRJIIT-FQEVSTJZSA-N	420.479	3.833	10	20	HHCD	
CCOc1cccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c1O	796427797	ANUZQVVBHRYSFS-UHFFFAOYSA-N	405.501	3.660	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)cc(F)c1O	797041271	COPKPYWCAGGVQE-GXTWGEPZSA-N	414.319	3.625	10	20	HHCD	
C[C@@H](NCCn1cc(Br)cn1)c1cc(Br)cc(F)c1O	797099604	MBFRSNHOIZGGHT-MRVPVSSYSA-N	407.081	3.604	10	20	HHCD	
CCn1cccc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1=O	799985242	RVXGTOCEQBNFIU-INIZCTEOSA-N	416.953	3.757	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3C(=O)NC3CC3)cc2Cl)C1	800718551	AUWNLXYUYJTLGQ-YWZLYKJASA-N	418.969	3.529	10	20	HHCD	
CC(=O)NCCN(Cc1ccc(C)s1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	801051477	PZGUTCDSANLPHP-INIZCTEOSA-N	402.564	3.531	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N[C@@H](c2cccnc2)C2CC2)cc1)C1CCCCC1	803677534	QIWXDQDWZZPQPJ-HSZRJFAPSA-N	420.557	3.734	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21	803842891	WNWGYFDQSHAIIT-SFHVURJKSA-N	417.962	3.718	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H](C1CC1)C(F)(F)F	806685597	VNIOERZPLRSOII-OAHLLOKOSA-N	407.383	3.897	10	20	HHCD	
CSC1(CNC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCC1	807953960	CHCHIAQRKCLFIW-OAHLLOKOSA-N	424.010	3.594	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cc1	808028726	UGSACSWQEWSVFK-LJQANCHMSA-N	415.456	3.558	10	20	HHCD	
C[C@H]1CN(C)CC[C@H]1N(C)Cc1cc(Br)cc(Br)c1O	809765019	KNKQKXFMKJYXGP-IINYFYTJSA-N	406.162	3.689	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCCc4occc4C3)cc2F)C[C@@H](C)O1	812010688	ZKMZMFGCTDROTH-HZPDHXFCSA-N	401.482	3.690	10	20	HHCD	
COc1ccc2c(C)c(CCC(=O)NCc3ccc(N4CCCC4)cc3)c(=O)oc2c1	915082674	QJPQVGFFBGWMDZ-UHFFFAOYSA-N	420.509	3.959	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2ccc(F)c(F)c2F)c(C)n1-c1ccccc1	915749138	RKSGHIYVJYGPRM-UHFFFAOYSA-N	415.415	3.809	10	20	HHCD	
CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)o2)cc1	919766830	YAINMCPXHYNXKD-UHFFFAOYSA-N	404.466	3.916	10	20	HHCD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970755	CCDYFUXBCICTNG-AWEZNQCLSA-N	406.885	3.524	10	20	HHCD	
CC(C)n1ncc2c1[C@@H](NC(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CCC2	1320267152	GQCLQOAZBFXRMU-UTKZUKDTSA-N	411.550	3.738	10	20	HHCD	
O=C(NCc1cccc(C(F)F)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	1324269622	OUWUQMPPKDWWQI-UHFFFAOYSA-N	407.436	3.724	10	20	HHCD	
Cc1nc(-c2ccc(NCc3ccc(N4CCC(CO)CC4)cc3)nc2)nc(O)c1C	301380113	TWZDPTWSMZKHFC-UHFFFAOYSA-N	419.529	3.682	10	20	HHCD	
Cc1cc(C(=O)NCCCS(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	195712265	RFNIMSIYBOQZHN-UHFFFAOYSA-N	414.502	3.827	10	20	HHCD	
CCOc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1O	236962289	SEHSSZGZVBPLBA-MRXNPFEDSA-N	406.548	3.672	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCC[C@H](C(=O)NC(C)C)C3)ccc21	522500485	MVEXWEFBPCSUGP-AZUAARDMSA-N	413.562	3.718	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCCNC(=O)c1ccc(F)cc1	802142777	FFAZMYHEZGMASE-UHFFFAOYSA-N	401.482	3.663	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](C)c1nccn1-c1ccccc1)c1ccc(N2CCOCC2)cc1	804988369	BFADKPOHFDFCIN-RTBURBONSA-N	419.529	3.830	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)s1	805397342	QIRDEAIRZLQKQL-UHFFFAOYSA-N	423.343	3.554	10	20	HHCD	
C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1O	807841096	RLMCKXSJHMFGOO-JTQLQIEISA-N	420.289	3.564	10	20	HHCD	
COc1cc(CC2CN(C(=O)NCc3c(C)c4ccccc4n3C)C2)cc(OC)c1	472235752	AJRWMTBQKZUJLP-UHFFFAOYSA-N	407.514	3.888	10	20	HHCD	
O=C(NC1CCCCC1)OC[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1	809719419	ZKBVYTIPGIXFJY-QFIPXVFZSA-N	401.551	3.547	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1	802356891	ORGHSLBWFOYFJC-NRFANRHFSA-N	424.545	3.794	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccccc2SC)cc1F	804852477	AYKSECRWOPKVKO-UHFFFAOYSA-N	417.550	3.669	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H](C)c3noc(COC(C)C)n3)cc2)CC1	811876993	BFWLFHWSRANLPF-QGZVFWFLSA-N	415.538	3.791	10	20	HHCD	
Cc1noc(C2CCC(NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)n1	813855381	NOEHFPWBVPCXNZ-GKVPXEHWSA-N	402.514	3.947	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccc3c2OCC(=O)N3)cc1	810257198	MYOJSZACJKEWQA-UHFFFAOYSA-N	420.469	3.911	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	728020654	YFSMMRLRWIVYMT-DPJUBJNGSA-N	415.603	3.893	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)sc2C)cc1	727246721	UYIINYAHUWORHP-UHFFFAOYSA-N	413.528	3.818	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCc3n[nH]cc3C2)c(C)n1-c1cccc(Br)c1	733883808	FPYOEEHZTMTCAC-INIZCTEOSA-N	413.319	3.867	10	20	HHCD	
CCN1CCN([C@@H](C)CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	733161902	MTBLUQWNWXMUJB-KRWDZBQOSA-N	402.970	3.503	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCN3CCc4sccc4C3)cc2)CC1	731120108	NMZGJVXSYZGCGM-UHFFFAOYSA-N	412.603	3.842	10	20	HHCD	
CCN(CC)c1ccc(CNC(=S)NCCc2ccc3c(c2)OCCO3)cc1F	731320536	WEPSAXUICBAIDA-UHFFFAOYSA-N	417.550	3.650	10	20	HHCD	
CCCOc1ccc(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl	917825813	OUOMRFWZZKCABA-UHFFFAOYSA-N	417.937	3.898	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)c(C)n1-c1ccccn1	731628455	PAWLPUPJVYGNBU-LJQANCHMSA-N	424.501	3.782	10	20	HHCD	
COc1ccc(N2C[C@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)cc1	735926850	GVFUSLUUUXJPTB-GOSISDBHSA-N	420.465	3.576	10	20	HHCD	
Cc1nc(C)c(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(O)n1	915464561	CYCGSHIITFCQRU-UHFFFAOYSA-N	421.497	3.792	10	20	HHCD	
Cc1ccc([C@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)N2CCOCC2)cc1	918356606	ICYBCEVCKZQVHQ-QHCPKHFHSA-N	418.541	3.601	10	20	HHCD	
CN(C)CCOc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742384578	ITKDJKQUNWYXFV-IBGZPJMESA-N	419.516	3.987	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[S@@](=O)Cc1ccccc1	745829359	CVJSTBAWNFCEIW-MUUNZHRXSA-N	401.576	3.622	10	20	HHCD	
CC(C)C[C@H](C)N(C)C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	918848748	SYILBSNHDPIRGO-HNNXBMFYSA-N	407.466	3.512	10	20	HHCD	
CCOC(=O)C1(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCC1	741102827	JWKDDULSVRBDRB-UHFFFAOYSA-N	408.458	3.890	10	20	HHCD	
O=C(NCc1ccccc1O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	748353631	BYPHGWBHCPLAMK-UHFFFAOYSA-N	413.827	3.992	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)Oc3ccc(CCC(C)=O)cc3)CC2)cc1	745054229	HUNOYGCXHJWHNB-FQEVSTJZSA-N	424.541	3.723	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc(NC(C)=O)c1OC	742589977	SZJLDSBYZCMDNC-UHFFFAOYSA-N	411.502	3.583	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(N4CCCCCC4)c3)ccc21	741095934	OGDFBIZUVWCZHI-UHFFFAOYSA-N	420.557	3.704	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1Cl	918311401	RMYBDULVSJGCGI-UHFFFAOYSA-N	415.921	3.936	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(Cl)c2c(c1)OCCO2	916628405	NKUQVECWOKBGPB-UHFFFAOYSA-N	403.910	3.909	10	20	HHCD	
CCCc1cc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n2ncnc2n1	918184903	RCMLDTJUUWFGSJ-UHFFFAOYSA-N	420.439	3.544	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OC(C)C	919970540	KEPNNRBMBJOFPX-UHFFFAOYSA-N	416.493	3.513	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(-c4ccccc4OC)[nH]n3)ccc21	590809712	RXKPYAXLQAXSRE-UHFFFAOYSA-N	418.497	4.556	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Br)nc3)cc2F)C[C@@H](C)O1	746514817	ZCIKBIDKUQWIPQ-CHWSQXEVSA-N	422.298	3.527	10	20	HHCD	
Cc1cc(C(=O)O[C@@H]2CCN(C3CCOCC3)C2=O)c(C)n1-c1ccc(Cl)cc1	746964642	AIKOPRQKIUSEOH-HXUWFJFHSA-N	416.905	3.684	10	20	HHCD	
CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCCC[C@H]1C	751929674	AYFAHSRECHZEBT-FOIQADDNSA-N	415.559	3.899	10	20	HHCD	
Cc1cnc([C@H](C)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	755005204	DIHLTKFABYEVDF-KBPBESRZSA-N	419.506	3.905	10	20	HHCD	
CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	750299129	LDZWIEMQXPZAOH-NHCUHLMSSA-N	405.608	3.759	10	20	HHCD	
C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)cc(Cl)c1O	756711604	LMLKTQHNQOZCBH-WRWORJQWSA-N	415.637	3.622	10	20	HHCD	
C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	751406683	REFXFQORFHGVEH-YLJYHZDGSA-N	400.494	3.867	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](O)c1c(F)cccc1Cl	752994427	CCUKOTUPOUORFO-JLTOFOAXSA-N	403.885	3.777	10	20	HHCD	
Oc1cc(OCc2ccccc2)ccc1CN1CCC[C@@H](c2nnc3n2CCC3)C1	753544130	UEPNCSWWROYDRS-HXUWFJFHSA-N	404.514	3.889	10	20	HHCD	
C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1	752905929	ARMJSNGMAWCVMU-INIZCTEOSA-N	412.490	3.727	10	20	HHCD	
CCC(=O)N1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1	762250781	LQTGRBRLVPQWNF-INIZCTEOSA-N	418.335	3.597	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc(Cl)nc(N2CCCC2)c1	765771290	ZNTYVHQGIWQXPL-UHFFFAOYSA-N	410.699	3.733	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc(Br)c1O)C(C)(C)C	765729612	QDMUAKLSPNFAOR-CQSZACIVSA-N	415.328	3.710	10	20	HHCD	
COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	767716118	NOOWAFRQDLYAOA-UHFFFAOYSA-N	421.456	3.536	10	20	HHCD	
O=C(COc1ccccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCCC1	768160923	CKLULHSICOETDP-QFIPXVFZSA-N	424.541	3.575	10	20	HHCD	
CC[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Oc1ccccc1F	761747945	DQLGGTCNOFOKCS-HNNXBMFYSA-N	406.841	3.807	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(F)c1F	766553421	SCGFSCDVMIANDH-ZDUSSCGKSA-N	407.436	3.625	10	20	HHCD	
COCCCCc1noc(CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1	761881756	WJROXMSZWZWBSM-WYMLVPIESA-N	423.585	3.934	10	20	HHCD	
COCCn1cc2c(n1)[C@@H](N[C@@H](C)c1cc(Br)cc(F)c1O)CCC2	760891443	ITFSWCIQMCXLGH-ZBEGNZNMSA-N	412.303	3.865	10	20	HHCD	
C[C@@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCC2)c(F)c1	765621227	AOTRVUHIFYWQTC-VOIUYBSRSA-N	424.520	3.721	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(-c2nc(CCC(F)(F)F)no2)c1)c1cccs1	761602415	MDSLJLNVOUJCBH-UHFFFAOYSA-N	419.406	3.799	10	20	HHCD	
Cn1c(C(=O)NCc2ccc(O)c(O)c2)ccc1-c1ccc(Br)cc1	778914726	KSBMXZSGIDUUIW-UHFFFAOYSA-N	401.260	3.796	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccn(Cc2ccccc2)n1	773408710	VBKZNPHXVWCLAB-HXUWFJFHSA-N	424.932	3.685	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1	775563139	VKDPOBHVVGVUQM-WBMJQRKESA-N	422.403	3.654	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc4ccccc4c3)CC2)cc1	778221361	SWIJZLIHKVGWMB-OUKQBFOZSA-N	415.493	3.692	10	20	HHCD	
O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(N2CC=CC2)cc1	778673576	ADADSPAEUUQHPR-UHFFFAOYSA-N	400.866	3.666	10	20	HHCD	
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773743259	ABVGQMOEJBUKJW-RDTXWAMCSA-N	418.921	3.643	10	20	HHCD	
COc1ccc(COCCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	771973006	AYFFDQFUWHQKKW-UHFFFAOYSA-N	411.546	3.948	10	20	HHCD	
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)nc1	773615299	VWZJHXDIXCLJNL-HKUYNNGSSA-N	409.534	3.577	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cc1	772202223	SEAZBHJCEPFDKF-UHFFFAOYSA-N	415.493	3.609	10	20	HHCD	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788935104	AQLSKJBWCORFIU-UHFFFAOYSA-N	419.447	3.580	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(C)(c3nc(C)no3)CC2)cc1F	781375371	IBYORIDJUCGBFQ-UHFFFAOYSA-N	403.502	3.627	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(SC(C)C)cc3)cc2)CC1	786263291	WGXSGDVLHDYTJS-UHFFFAOYSA-N	411.571	3.786	10	20	HHCD	
CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)oc12	785536600	CFHPGHLMZZCWJD-JKSUJKDBSA-N	423.513	3.952	10	20	HHCD	
Cc1cc(C(=O)N2CCC(O)(Cc3ccncc3)CC2)c(C)n1-c1ccc(F)cc1	798255457	POZSBRQWIICLTM-UHFFFAOYSA-N	407.489	3.838	10	20	HHCD	
O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)ccc2N1	1318212980	NWSHAPMZGPRMMO-UHFFFAOYSA-N	403.460	3.635	10	20	HHCD	
Cc1cc(-c2nnc(CCN3C(=O)NC4(CCCC4)C3=O)o2)c(C)n1-c1ccccc1	1323900061	KLKRMZLEXOFDDF-UHFFFAOYSA-N	419.485	3.551	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(C(=O)c4cccs4)CC3)cc2F)CC1	1254010361	BQCWIZJMQRSTDL-UHFFFAOYSA-N	401.551	3.734	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1	1337786028	TYUNUQGWFPGTCI-DUXKGJEZSA-N	407.558	3.736	10	20	HHCD	
CN(c1ccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1)C1CCCCC1	109296134	RLRQICVCJCFKEO-UHFFFAOYSA-N	421.463	3.952	10	20	HHCD	
COc1ccnc(N2CCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c1	303176032	CFBABVRKPAHHPC-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
O=C(NCCCSc1nccs1)/C(=C/c1ccco1)NC(=O)c1ccccc1	217195254	JHTWWXDNYSUSLA-VKAVYKQESA-N	413.524	3.806	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)ccc1F	554938475	UJAUNYCROZYOMF-UHFFFAOYSA-N	410.493	3.666	10	20	HHCD	
CCS(=O)(=O)N1CCC([C@@H](C)N(C)Cc2cc(Cl)cc(Cl)c2O)CC1	809785231	QHIOCYFNADUMCC-GFCCVEGCSA-N	409.379	3.581	10	20	HHCD	
CNC(=O)CC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	806766145	NMAISLGQNOLGCZ-NRFANRHFSA-N	400.567	3.513	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1	801545194	JORHSOXGVHGYSG-INIZCTEOSA-N	407.507	3.770	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](O)c1ccc(Cl)cc1	813464944	IZGFUQSQYMZLQZ-QAPCUYQASA-N	410.848	3.760	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	729053281	DTZMBFHJIFZTHU-HRCADAONSA-N	421.538	3.797	10	20	HHCD	
COc1cccc(C2(CNC(=O)NCc3ccc(N4CCSCC4)cc3)CC2)c1	811864819	MPEUSMRHFFVFGN-UHFFFAOYSA-N	411.571	3.779	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2n[nH]cc2c1	726526605	LRYLKPYUSJDZHA-UHFFFAOYSA-N	418.419	3.657	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)COc1ccc(F)c(F)c1	729541757	IZRHVZQTQNTWBQ-AWEZNQCLSA-N	406.454	3.604	10	20	HHCD	
CN(C)c1ccc(CN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC(F)(F)F)cc1	728903927	AVQQCPHKJLULBQ-UHFFFAOYSA-N	424.398	3.730	10	20	HHCD	
CC(C)(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1Cl	728818676	HHGBQSOVFUSDBC-KRWDZBQOSA-N	413.949	3.636	10	20	HHCD	
Cc1c(C(=O)NCCCSc2nccs2)nnn1-c1ccc(OC(C)C)cc1	733974691	JHTJHZZLULAVCH-UHFFFAOYSA-N	417.560	3.732	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)c1	734018117	HYNXNNMYVCWXOB-UHFFFAOYSA-N	400.862	3.970	10	20	HHCD	
C[C@H]1CCC[C@@H](OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	732935569	RZCCJCKLWCMGEB-MAUKXSAKSA-N	414.468	3.754	10	20	HHCD	
Cc1ccc(O)c(CNCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)c1	733331659	KDJMQUMLMBMDJM-UHFFFAOYSA-N	407.514	3.745	10	20	HHCD	
Cc1ccc(NCCCNC(=O)c2cc(C)n(-c3ccccn3)c2C)c([N+](=O)[O-])c1	739815303	UCEVISSAHHWNEZ-UHFFFAOYSA-N	407.474	3.938	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cc(OC)ccc3OC(F)F)SC2=S)cn1	733002137	VCDQKWHYXIIJGU-VGOFMYFVSA-N	411.455	3.919	10	20	HHCD	
Cc1ccc(-c2nnc(S)n2CCC(=O)NCc2ccc(N(C)C)cc2C)cc1	734470630	FGCXMILJNQCBRV-UHFFFAOYSA-N	409.559	3.623	10	20	HHCD	
O[C@@H](COCc1ccco1)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	836232417	ACPSWYNTRYXVID-RBUKOAKNSA-N	414.527	3.992	10	20	HHCD	
C[C@@H](NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1	746168782	QIWHMDKGHGGBCS-IERDGZPVSA-N	421.463	3.594	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)C2CC2)cc1	918064711	ISILOTMSXRJWBW-HSZRJFAPSA-N	420.557	3.790	10	20	HHCD	
COc1ccccc1[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N1CCCC1	741075230	WNZQJEBGFSCPJS-QHCPKHFHSA-N	420.557	3.708	10	20	HHCD	
CC(C)(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	918116906	CBFHECNMNNVHSB-IFMALSPDSA-N	422.573	3.975	10	20	HHCD	
Cn1c2ccccc2c2cc(S(=O)(=O)Nc3cccc(N4CCOCC4)c3)ccc21	918162463	JNORHOZISBFIBF-UHFFFAOYSA-N	421.522	3.969	10	20	HHCD	
Cc1ccc(NCCCNC(=O)NCc2ccc(N3CC=CC3)cc2)c([N+](=O)[O-])c1	740919347	OEAGCYWFIYXHRG-UHFFFAOYSA-N	409.490	3.581	10	20	HHCD	
CCN(CCC(F)(F)F)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	748461863	RRUDCXUTYLBJHA-ZIAGYGMSSA-N	405.436	3.923	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(N2CCOCC2)cc1	740459064	KVCUYRUQVCIUQR-VGSWGCGISA-N	411.502	3.574	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCC2(N3CCSCC3)CCCC2)C2CC2)cc1	918070840	CBIYGIOLPXZHPY-UHFFFAOYSA-N	416.635	3.788	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)C2CC2)cc1	918065422	WDFCTHHKBBXOHF-UHFFFAOYSA-N	422.451	3.963	10	20	HHCD	
O=C(NCCCc1cccc(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1	746231527	LOBSLHOCKSXBNU-UHFFFAOYSA-N	415.965	3.981	10	20	HHCD	
Cc1cc(CCNC(=O)CCNC(=O)c2ccc(F)cc2)c(C)n1-c1ccccc1	919684138	IRUABYWBGHRBCZ-UHFFFAOYSA-N	407.489	3.712	10	20	HHCD	
C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)Cc1cccc(O)c1	748816075	COSOYXUXMHMZIW-OAHLLOKOSA-N	414.461	3.627	10	20	HHCD	
O=C(NC[C@H]1Cc2ccccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745728004	XKDGKFPMYFUTFF-IAGOWNOFSA-N	401.457	3.896	10	20	HHCD	
O=C1OCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1	741137245	QRNRDDBSEGMKRJ-UHFFFAOYSA-N	401.469	3.568	10	20	HHCD	
CC(=O)Nc1cccc(NC(=S)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1	920078850	IPZVTURVRNWGJL-UHFFFAOYSA-N	423.586	3.986	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC(=O)N1CCCc2ccccc21	920045456	MESRMWIOVHGRBI-UHFFFAOYSA-N	420.557	3.798	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)NCc3ccc(N4CCCC4)cc3)n2)c1	743551993	KZPOGEJEQBWWIX-MRXNPFEDSA-N	421.501	3.906	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1	745433483	KRHMQGPCWQEDNT-UHFFFAOYSA-N	412.534	3.570	10	20	HHCD	
CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(Br)cc(Cl)c1O	756662634	FFVKOFFMUPEYAI-SECBINFHSA-N	402.720	3.963	10	20	HHCD	
CCc1noc(CC)c1CNC(=O)N(CC)Cc1cc(Br)ccc1O	756077607	GPBZWCGIXHJPSM-UHFFFAOYSA-N	410.312	3.999	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	756526949	PMUYMKFDEMCGSI-HLLBOEOZSA-N	406.523	3.865	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccnc(OC2CCCCC2)c1	857439731	QMTFKVFJBRWKCO-UHFFFAOYSA-N	413.493	3.699	10	20	HHCD	
CCOc1c(OC)cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1OC	750896879	VTUQLMYSOZHIFW-YBEGLDIGSA-N	402.497	3.903	10	20	HHCD	
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	750134041	QUKLRBUDWZGSOQ-KLMLQECBSA-N	402.560	3.912	10	20	HHCD	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)NCc1ccc(N2CCSCC2)cc1	752652590	WLKRYSYHRNICEN-CRAIPNDOSA-N	405.589	3.613	10	20	HHCD	
CSc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c2ccccn12	751404518	HIMSXUGXDFYSME-IBGZPJMESA-N	424.570	3.944	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@H]1CCCC[C@H]1C	751918493	HFKZCLYNZYYHFU-KEYYUXOJSA-N	401.532	3.556	10	20	HHCD	
C[C@@H](NC1CCN(C[C@H]2CCCO2)CC1)c1cc(Br)cc(F)c1O	756574518	MVWAIOAFAGRYHM-IUODEOHRSA-N	401.320	3.588	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(-c3nc[nH]n3)c2)cc1	767223352	COBLBYBUCTZGOG-UHFFFAOYSA-N	401.470	3.973	10	20	HHCD	
Oc1ccccc1CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCCO1	768162024	JCJSBNGOZGFZCG-FQEVSTJZSA-N	400.494	3.549	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@H]3c4ccccc4CC[C@@H]3n3ccnc3)ccc21	769089659	ZXEOBZKETBWSHY-ZEQRLZLVSA-N	415.541	3.994	10	20	HHCD	
COc1ccc(F)cc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	768911818	CWPMXOYGLWNHED-ZIAGYGMSSA-N	405.445	3.909	10	20	HHCD	
CSC[C@@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	767936222	ISDHAMQYFCVGTM-INIZCTEOSA-N	417.497	3.579	10	20	HHCD	
C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	769915680	ANTJRTBUBBBLOY-ZIAGYGMSSA-N	408.545	3.905	10	20	HHCD	
C[C@@H](CNC(=O)NCCCSc1nccs1)c1nc(-c2ccccc2)no1	760841970	TXTOZKAICWFMHE-ZDUSSCGKSA-N	403.533	3.778	10	20	HHCD	
Cc1noc(C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)n1	760052839	RXTXPKYYLXKADH-KKSFZXQISA-N	410.493	3.988	10	20	HHCD	
CCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ncccc12	767934974	KVSKHVWMKHAQJE-UHFFFAOYSA-N	406.486	3.792	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cc(C(F)(F)F)ccn2)cc1	773657858	HXGKQDOOMCUHGE-UHFFFAOYSA-N	406.408	3.845	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1	773749496	QFOHYOUJOLWHCJ-OAHLLOKOSA-N	400.475	3.587	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(-c2ccccc2)nn1)c1ccc(N2CCOCC2)cc1	773276396	FKOPFKVUQOGSDQ-QGZVFWFLSA-N	403.486	3.863	10	20	HHCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCO1	778750832	CSDMOMIUFQERPT-GGAORHGYSA-N	417.594	3.678	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)C(C)(Cl)Cl)NC(=O)OC(C)(C)C)cc1	777407291	NCWGKEZMICHTOB-AWEZNQCLSA-N	404.338	3.628	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)CC1	771512333	DBFPBLDPHQJCEZ-FXBPSFAMSA-N	423.607	3.882	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCC2(NC(=O)OC(C)(C)C)CCCCC2)c1O	774989820	QSOLZUOFBNCPOD-UHFFFAOYSA-N	409.483	3.626	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](c3ccc(F)cn3)C(C)C)CC2)cc1	779341130	HLBFJQGVFWSCGH-HSZRJFAPSA-N	400.542	3.728	10	20	HHCD	
O=C(Cn1c(C2CCCCC2)nc2ccccc21)OCC(=O)c1ccc(O)c(O)c1	784428471	RWHSXWGCYIBUGE-UHFFFAOYSA-N	408.454	3.921	10	20	HHCD	
C[C@@H](NC(=O)NCCc1ccc(F)c(F)c1F)c1ccc(N2CCOCC2)cc1	784244142	CISJUBGRPOBXLS-CQSZACIVSA-N	407.436	3.543	10	20	HHCD	
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	784270938	DRCMASZHRZVCOG-UHFFFAOYSA-N	404.580	3.575	10	20	HHCD	
COc1ccc(CCS(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	784742351	SWMGGCDCRFOCJT-UHFFFAOYSA-N	402.560	3.690	10	20	HHCD	
C[C@H](OC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccncc1	785408844	ZMNPIJOTOLIVJL-LBPRGKRZSA-N	404.469	3.568	10	20	HHCD	
Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	785294157	LNOXLGFTSJLPBZ-INIZCTEOSA-N	420.465	3.884	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c(O)c1	797616807	WBGGTISROYMRIS-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)Oc1ccc(C=O)cc1	797191526	BLTMMHRAPIOQFF-CYBMUJFWSA-N	406.276	3.783	10	20	HHCD	
CCOC1CC2(CCN(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)C2)C1	796528209	FEIPPWJLQKMVFM-UHFFFAOYSA-N	424.541	3.939	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1	796584210	BYMAOYNMEOWXKK-QFIPXVFZSA-N	422.573	3.566	10	20	HHCD	
NC(=O)NC(=O)c1cccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1	796375237	FLPUMSRJZSWVKK-UHFFFAOYSA-N	400.482	3.670	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccncc2OCC(F)(F)F)C2CC2)cc1	798522536	QRCHIUFPAAQADO-UHFFFAOYSA-N	422.451	3.963	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1	793044680	HWZQONQAIQRQGI-KSEOMHKRSA-N	409.530	3.501	10	20	HHCD	
CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1323222523	XPZBAIRBRFJGAT-ZDUSSCGKSA-N	420.416	3.637	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)Cc3ccco3)CC2)cc1	69245071	PYYHIWLTINIXMM-UHFFFAOYSA-N	419.525	3.639	10	20	HHCD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)NCc1ccc(N(C)C)c(F)c1	116151061	ODGZRVNNJYTSFQ-UHFFFAOYSA-N	400.479	3.902	10	20	HHCD	
C[C@@H](NC(=S)NCCSc1ccccc1)c1ccc(N2CCOCC2)cc1	140006505	FVIPXSJWXMXSOT-QGZVFWFLSA-N	401.601	3.841	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc4c(c3)OCCCO4)ccc21	484333047	LKKLCDULRTWNNB-UHFFFAOYSA-N	408.498	3.996	10	20	HHCD	
Cn1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)c(-c2cccnc2)n1	621089225	KIHOVJAKDLWHOB-UHFFFAOYSA-N	402.376	3.974	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(-c2ccccc2)c1	726565249	IHLUMTZBRRWMCP-UHFFFAOYSA-N	412.440	3.873	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c(O)c1O	727004013	KQQWHFURZMRNIY-UHFFFAOYSA-N	423.387	3.773	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1	728937681	GXMBCMOPZXWIEA-KGLIPLIRSA-N	404.536	3.972	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(C)nn3C(C)(C)C)cc2F)CC1	730110708	RONOHZOAYPRLFV-UHFFFAOYSA-N	416.545	3.549	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1-c1cccc2ncccc12	731342249	XPFLXABBGWAKKF-UHFFFAOYSA-N	412.497	3.654	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1F	731409490	UBJZODYCXAVTJW-UHFFFAOYSA-N	407.873	3.589	10	20	HHCD	
Cc1nc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)sc1C	743554988	NYCSMWXWOSVINV-BETUJISGSA-N	406.527	3.512	10	20	HHCD	
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	744358508	QSHCVBCTMPDVNJ-HSZRJFAPSA-N	405.542	3.743	10	20	HHCD	
CNC(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c1	745367127	AJGLSBZBMVZHAS-UHFFFAOYSA-N	404.466	3.802	10	20	HHCD	
CC(C)CO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)n1	745578332	SKGKRJIMBYZGOQ-QGZVFWFLSA-N	415.538	3.745	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1	745755472	UJBAOCGRVWIXTH-LSDHHAIUSA-N	412.372	3.807	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1nnc2n1CCCCC2	745800808	OXNYFOUKRWMBQA-UHFFFAOYSA-N	412.582	3.623	10	20	HHCD	
COCCN(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(OC)c(OC)c1	746474090	AWJZNQIAUOFUJF-UHFFFAOYSA-N	412.408	3.814	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3sccc3C)cc2F)CC1	747869752	OMMYKQQMZSHATI-MSOLQXFVSA-N	401.551	3.757	10	20	HHCD	
Cc1ccccc1CN(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748014069	UNCZUVXFVCOPDS-UHFFFAOYSA-N	416.524	3.835	10	20	HHCD	
CN(C)c1ccc(CNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCCC4)cc1	748664832	NSHYJCAOITYPOR-UHFFFAOYSA-N	420.509	3.823	10	20	HHCD	
COc1ccc([C@@H](C)CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	750070455	MAMQDUZATVLJPI-INIZCTEOSA-N	400.494	3.605	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCC1([C@@H](O)c2ccccc2)CC1	752649382	CZCZFRQLFKHKCS-NRFANRHFSA-N	411.571	3.553	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3nc(C(F)(F)F)ccc3=O)c2C)cc1	754730305	MRNNAHOIVJLPGH-UHFFFAOYSA-N	419.403	3.951	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccn(Cc2ccc(F)cc2)c1=O	755837284	MFQIOJCAZQGJHL-UHFFFAOYSA-N	418.472	3.734	10	20	HHCD	
COCc1nc2n(n1)C[C@H](NC(=O)c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)CC2	758200948	HHMWTKYLWLCCFO-LJQANCHMSA-N	421.545	3.700	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c(C)n1-c1ccc(Br)cc1	758814970	IQXUVYNLBSNIJE-INIZCTEOSA-N	413.319	3.867	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cccc(C(=O)OC)c1	759385034	VXFLZOIAHKRPBO-UHFFFAOYSA-N	406.276	3.533	10	20	HHCD	
COc1ccc([C@@H]2NC(=O)N(Cc3ccc(N4CCC(C)CC4)cc3)C2=O)cc1F	761273243	AKTUDGBYCJRMAK-NRFANRHFSA-N	411.477	3.864	10	20	HHCD	
O=C(NCCCOc1ccc2ccccc2c1)NCc1ccc(N2CCOCC2)cc1	762274167	KOCSRGIRZBXHMZ-UHFFFAOYSA-N	419.525	3.945	10	20	HHCD	
CCc1ncc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)s1	763491899	QJAVWNKZZHNQMR-UHFFFAOYSA-N	420.541	3.515	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCOC2(CCCCCC2)C1	763585452	CCWQNHGWZAOBSW-UHFFFAOYSA-N	403.592	3.875	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)n2)s1	764527681	PQCBICGXLSFQGS-UHFFFAOYSA-N	417.541	3.870	10	20	HHCD	
C[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(N2CCOCC2)cc1Cl	764841922	ZVOMTMGAANCMAC-INIZCTEOSA-N	417.937	3.725	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cc1OC(F)F	765252835	JEVIZJXZZVCDNP-HOCLYGCPSA-N	421.463	3.980	10	20	HHCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1Cc1ccccc1	765288183	VWCSDOFVCAHESL-DENIHFKCSA-N	411.565	3.930	10	20	HHCD	
COC1CCN(C2(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)CCCC2)CC1	765859500	LIMBBCUWXBLYGO-LJQANCHMSA-N	419.585	3.737	10	20	HHCD	
CC(C)n1cc2c(n1)[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CCC2	765920738	MOZQWGLRNIJKKD-WOJBJXKFSA-N	412.534	3.938	10	20	HHCD	
CS(=O)(=O)CC1(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CC1	767200179	TXOSOMQOOUCXCF-KRWDZBQOSA-N	406.573	3.646	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](CO)c1ccc(Br)cc1	768036752	VCOZXMJKNPBWHF-IBGZPJMESA-N	418.335	3.582	10	20	HHCD	
CN(C)Cc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	768913760	AEVNCEDAYRKOMT-HXUWFJFHSA-N	401.938	3.502	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	769313689	PINRKICQAWKJGR-KRWDZBQOSA-N	421.557	3.788	10	20	HHCD	
O=Cc1ccc(OCC(=O)NCc2c(O)ccc3c2CCCC3)c(Br)c1	769562662	KHQABNFIIXCJBX-UHFFFAOYSA-N	418.287	3.541	10	20	HHCD	
Cc1cccn2cc(COc3ccc(C(=O)NCCc4ccc(O)c(O)c4)cc3)nc12	770630484	NAKXCYUPMCQFDP-UHFFFAOYSA-N	417.465	3.605	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ncccc1C(F)(F)F	770792232	NNPBPPAHALYWNX-CQSZACIVSA-N	413.827	3.854	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	773614960	VKVIVRULHNAWGE-MRXNPFEDSA-N	404.555	3.760	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(COc2ccc(F)cc2)n1	773755846	GKWUQWIRQMDFGW-LBPRGKRZSA-N	402.447	3.633	10	20	HHCD	
C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc(Cl)c(Cl)cc1O	774118664	YCTFMXIDDMFRDH-NSHDSACASA-N	403.331	3.800	10	20	HHCD	
O=C1Nc2cc(Br)ccc2/C1=C\c1ccc(N2CCOCC2)c(F)c1	774556925	FLXYSJBYXYJNRY-OQLLNIDSSA-N	403.251	3.918	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1cc(F)c(Cl)cc1Cl	774945528	AHWSFXWVDRDOJV-NSHDSACASA-N	412.292	3.692	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(N2CCOCC2)cc1	775256417	YTWSPBWGHGULTP-VQTJNVASSA-N	422.573	3.801	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1	775563136	VKDPOBHVVGVUQM-BLLLJJGKSA-N	422.403	3.654	10	20	HHCD	
CCS(=O)(=O)c1c(Cl)cccc1CN(C)Cc1ccc(N2CCOCC2)cc1	775898341	WBENZXHWNKOVIK-UHFFFAOYSA-N	422.978	3.602	10	20	HHCD	
CCOC(=O)[C@H](NCc1cc(OC)ccc1O)c1ccc(OC)c(Br)c1	779177705	GPCVDXMSGPBVEA-GOSISDBHSA-N	424.291	3.566	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1O	779378074	OBXWDDRBDMUOPA-CYBMUJFWSA-N	410.301	3.786	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(C)c(C)c3Cl)CC2)cc1	783383984	JVZDFVKMARXBSU-UHFFFAOYSA-N	415.965	3.908	10	20	HHCD	
Cc1noc(C2CC2)c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	783913159	QWFUITHGCFQYLE-UHFFFAOYSA-N	409.408	3.646	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc(OC)cn2)cc1	789942159	MKYQMRDRZQDYAQ-UHFFFAOYSA-N	405.498	3.941	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cn1	790107152	CFQAYRWNHAHZAE-FOWTUZBSSA-N	419.597	3.670	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	797647228	BHHPGUKLTSIFFD-FVMDXXJSSA-N	404.335	3.910	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1OC	799184357	GVIZRUDZFCJQPR-UHFFFAOYSA-N	418.515	3.519	10	20	HHCD	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C(=O)NCCCSc1nccs1	806277416	BFWXJHBNMIQBMK-HNNXBMFYSA-N	403.573	3.569	10	20	HHCD	
CC[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)Oc1ccccc1Cl	807675210	VAXDKYJHNXLTJA-YJBOKZPZSA-N	417.937	3.557	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc(S(C)(=O)=O)cc3F)cc2F)C[C@@H](C)O1	807931113	ZAOPLGUWBDLAMH-OKILXGFUSA-N	410.486	3.594	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc(C(=O)O)c1Cl	811703958	MYBMYKGAMUVODT-UHFFFAOYSA-N	413.879	3.778	10	20	HHCD	
O=C([C@H]1CCCN(CCc2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	816921776	GTXZFJGYFQTXDX-BJKOFHAPSA-N	422.569	3.855	10	20	HHCD	
Cc1cc(-c2nc(-c3c(O)nc(=O)n(C)c3C)no2)c(C)n1-c1cccc(Cl)c1	904909403	VBGBFXLQLYQOTL-UHFFFAOYSA-N	411.849	3.572	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1	914577277	LMLCSDBGTVTGPL-UHFFFAOYSA-N	418.496	3.529	10	20	HHCD	
CCC(CC)[C@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)N1CCCC1	918065916	ZHHACIXOGSBDMV-QHCPKHFHSA-N	416.610	3.818	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(Cl)c2OC)cc1	920187442	DNLPXQMXYGQXKO-UHFFFAOYSA-N	403.910	3.792	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	920921868	XCAIGWAMJYMMII-NJDAHSKKSA-N	416.610	3.642	10	20	HHCD	
C[C@H](NC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)cc1	920941006	KZFBDAUPYAAALT-HNNXBMFYSA-N	409.515	3.924	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1C(=O)NCC(C)C)c1ccc(OC)c(OC)c1	921062508	ZOPNCPMEUWHFRJ-UHFFFAOYSA-N	413.518	3.555	10	20	HHCD	
CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1323222522	XPZBAIRBRFJGAT-CYBMUJFWSA-N	420.416	3.637	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1	7230005	YYTYEVQXCNBWEV-UHFFFAOYSA-N	415.950	3.610	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(N2CCCC2=O)c1	10197380	MUJSORTYFBQLRN-UHFFFAOYSA-N	406.511	3.945	10	20	HHCD	
CCS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	9384256	DBFMIVKADZJTIG-UHFFFAOYSA-N	419.458	3.508	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)CC2)cc1	110357445	DRRZHOGWROFKSE-HSZRJFAPSA-N	423.557	3.543	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	302833209	LYGUZQSSIAFDIU-QGZVFWFLSA-N	418.921	3.982	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)N2CCCC2)c1	195741025	UARBLJZBOZWVHL-XMMPIXPASA-N	422.573	3.714	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1c[nH]nc1-c1cccnc1	237828510	HZAAOYYAGWACEE-UHFFFAOYSA-N	417.435	3.617	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1c[nH]c2cc(F)ccc12	261385804	WLIQPMXBBKUFKB-UHFFFAOYSA-N	410.493	3.528	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21	809711504	CQIGQXAOLOFLPW-FQEVSTJZSA-N	424.545	3.636	10	20	HHCD	
COC(=O)c1sc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(C)c1Cl	808115083	NTLLCIBSOZSIJF-UHFFFAOYSA-N	414.263	3.795	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1nnc([C@@H]2COc3ccccc3O2)n1C	800760923	FQCUWCBLCVTEFX-QFIPXVFZSA-N	419.529	3.954	10	20	HHCD	
CCc1cc2c(=O)n(CCc3ccccc3)c(SCC(=O)C(C)=O)nc2s1	808013793	PNHOYGINJLFOLE-UHFFFAOYSA-N	400.525	3.513	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-c2cccnc2)cc1	807667582	BMDFZVOPDWGCNP-UHFFFAOYSA-N	403.482	3.509	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCCCC1	803300610	UOMDNOOJPGJXPS-PGRDOPGGSA-N	415.578	3.566	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1	802609980	OMEJAOFBTDLALJ-UHFFFAOYSA-N	408.458	3.518	10	20	HHCD	
COc1ccc(N2CCC(NCCCCN3CCN(c4ccccc4)CC3)CC2)cc1	812824652	AXMQCWAPOXEQQO-UHFFFAOYSA-N	422.617	3.856	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)[C@H]1OCCc2sccc21)c1ccc(N2CCOCC2)cc1	813606557	TVTBVMPENUPWMW-GCKMJXCFSA-N	415.559	3.647	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@@H]3[C@H]3CCCO3)cc2F)C[C@@H](C)O1	811865218	WBKDCEQXSDFNJX-XTCWOQMQSA-N	419.541	3.538	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)N(C)OC)cc3)c2C)cc1	729249710	NWDMOLODIXKOQX-UHFFFAOYSA-N	407.470	3.988	10	20	HHCD	
COc1ccc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC(F)F	725869448	OENOHCZJOUBJSU-UHFFFAOYSA-N	419.472	3.939	10	20	HHCD	
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	726293187	DUYZAKPPLVAQMJ-UHFFFAOYSA-N	406.461	3.517	10	20	HHCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(C2CCCC2)cc1	810172163	AMSGYDKFKNHBAX-UHFFFAOYSA-N	412.555	3.509	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC[C@@H](CS(C)(=O)=O)C2)cc1	816619792	VYKYQCVGEODOHH-JOCHJYFZSA-N	400.588	3.970	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CCC[C@@H](CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	727104196	ZLXYGOTUSXAYGR-DLBZAZTESA-N	406.473	3.971	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1(c2ccc(F)cc2)CCC1	728749836	KYLGCFIDGVQJFQ-UHFFFAOYSA-N	415.484	3.805	10	20	HHCD	
CC[C@H](C)[C@H](C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1	729545897	YVTQHSKWVWUGKH-VJANTYMQSA-N	419.585	3.955	10	20	HHCD	
CC(C)(C)c1nc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cs1	726800445	NCUVAKVXVROYBJ-UHFFFAOYSA-N	401.576	3.508	10	20	HHCD	
COc1ccc(CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC(F)F	725869027	IBEVQCHBZIJOAA-UHFFFAOYSA-N	407.461	3.747	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(OCCC(C)C)c2)c1	729063056	XJLWMJUPAJVZLT-HNNXBMFYSA-N	400.475	3.642	10	20	HHCD	
O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)c2cc(O)cs2)CC1	732272542	WDENHKNQNBXWLO-UHFFFAOYSA-N	422.506	3.631	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(C[S@@](=O)CCOC)c1	735868543	SELXSYREUXMAJB-NDEPHWFRSA-N	404.532	3.731	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1cccc(C(=O)NC2CC2)c1	731845694	HPCZLIZMPNTZHA-UHFFFAOYSA-N	407.514	3.668	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H](O)COc1ccccc1	731036939	UJYZFNXMHYPHEW-HXUWFJFHSA-N	412.530	3.904	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)ccc21	739537187	VGPLQLSOUWBJNW-UHFFFAOYSA-N	415.419	3.599	10	20	HHCD	
O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NCCCSc1nccs1	733879669	VOVFVJKFKXUMJM-UHFFFAOYSA-N	419.553	3.836	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cccc4c3ccn4C)cc2F)CC1	730383979	UYPBAQVXJRJCLW-UHFFFAOYSA-N	409.509	3.781	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1	918310070	LUXNBPSZYUSRRJ-UHFFFAOYSA-N	403.910	3.792	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)c(C)n1-c1ccc(F)cc1	918565094	GZWZRKTZOPVXRK-UHFFFAOYSA-N	406.417	3.542	10	20	HHCD	
CCCCc1ccc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	738885046	PAWIQCGSWAXUSA-UHFFFAOYSA-N	415.559	3.586	10	20	HHCD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	741545340	SNZZVZFNPXRUMH-LJQANCHMSA-N	423.557	3.629	10	20	HHCD	
Cc1cc(C(=O)CN2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)c(C)n1-c1cccc(F)c1	749546314	OSYMQRLIOMXRBI-BPUDTRNYSA-N	413.537	3.599	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2F)C[C@@H](C)O1	917709352	GMTMLQGZUDIVPO-CHWSQXEVSA-N	421.856	3.931	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3cc(Cl)sc3Cl)CC2)cc1	742927608	VYEYECJEASXSQS-UHFFFAOYSA-N	414.358	3.616	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(F)cc1OC(F)F	743214267	FBMDVNHZSSGAFY-UHFFFAOYSA-N	413.371	3.725	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1	744885511	VBVLOFFNLSCFRS-QGZVFWFLSA-N	419.481	3.685	10	20	HHCD	
COc1ccc(Cl)cc1CN(C)C(=O)NCc1ccc(N2CCOCC2)cc1	919791181	XGRTWIWTFPSKMV-UHFFFAOYSA-N	403.910	3.527	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(F)c1F	742334541	PDDOQKVYSGDEIG-LBPRGKRZSA-N	418.412	3.514	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2F)cc1F	747010066	NDXSDPUKIQADAU-UHFFFAOYSA-N	409.436	3.953	10	20	HHCD	
CCO[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C12CCCC2	743703032	RRQXAUUQIWLPSL-SFTDATJTSA-N	401.551	3.701	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CSC[C@@H]1CCCCO1	743807170	BRNMBZYCHOPMQF-HNNXBMFYSA-N	402.354	3.806	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1F	746975748	OCLNWASEDORZOA-UHFFFAOYSA-N	407.436	3.923	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O	749670704	NDEXLMLHHQFDQS-SFTDATJTSA-N	400.438	3.815	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3cc(Br)cc(F)c3O)cn2)CCO1	756430476	IOUWDFFPEYVJSG-STQMWFEESA-N	424.314	3.765	10	20	HHCD	
COc1cc(C)c(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1OC	751291596	NDLNCFLBDLUJAZ-LICLKQGHSA-N	408.589	3.801	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3cc(OC)ccc3O)CC2)cc1	756498255	WRIKZUAUHFMGAW-INIZCTEOSA-N	418.559	3.514	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1	757657819	OSPJVSAQXPGMPZ-OAHLLOKOSA-N	406.523	3.867	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1	920868025	ZYJSUCIVEYOEER-JKSUJKDBSA-N	417.937	3.863	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cc3ccccc3o2)cs1)c1cnn([C@H]2CCOC2)c1	751587004	BBILTTWRQXWMGV-ZDUSSCGKSA-N	416.484	3.515	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC(O)(c2ccccc2Cl)CC1	765533421	FXRYUCXBFFAMOL-UHFFFAOYSA-N	411.980	3.972	10	20	HHCD	
COc1ccc(N2CCC(N3C(=O)N[C@@H](c4ccc(Cl)c(F)c4)C3=O)CC2)cc1	761220135	BVGNHRYQWZFJOF-IBGZPJMESA-N	417.868	3.750	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3c3c(C)n[nH]c3C)c2C)cc1	766054698	CDWQZOHTUBTWMV-OAQYLSRUSA-N	408.502	3.656	10	20	HHCD	
CO[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1cccc(Cl)c1	761568724	LJSLPYDUEPDOEW-QGZVFWFLSA-N	409.269	3.851	10	20	HHCD	
COC(=O)[C@H](C)Sc1ccccc1C(=O)NCc1cccc(Br)c1O	765765278	QSWTVBUKVLYWMR-NSHDSACASA-N	424.316	3.738	10	20	HHCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1	765610688	XHBCQXPHAMFPOH-KRWDZBQOSA-N	400.544	3.647	10	20	HHCD	
Cc1ccnc(N2CCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)c1	766971911	ZEJVNUUKJKLHNC-UHFFFAOYSA-N	407.562	3.658	10	20	HHCD	
CC[C@@H](CNC(=O)NCc1cccc(Br)c1O)Oc1ccccc1F	764788571	AGMCDQCBLYRNJI-ZDUSSCGKSA-N	411.271	3.951	10	20	HHCD	
O=C1/C(=C\c2cc(Br)cc3c2OCC3)NC(=S)N1Cc1ccccc1	764888873	ZOXAPXILQFSMIE-MHWRWJLKSA-N	415.312	3.642	10	20	HHCD	
COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1	768018647	ZWMVFRZCHGBWRQ-UHFFFAOYSA-N	423.966	3.680	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2F)C[C@@H](C)O1	769384250	JXTAOYZESHUEDK-JZXOWHBKSA-N	407.530	3.538	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)cc1Br	768339518	XRGYTVWNAKCAHH-UHFFFAOYSA-N	403.320	3.833	10	20	HHCD	
COc1ccc2c(c1)CCCN2Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1	767888886	VABLSOBVHDEQKB-UHFFFAOYSA-N	411.458	3.724	10	20	HHCD	
COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1	767716184	OQKLMQAOJWXEFQ-UHFFFAOYSA-N	412.439	3.906	10	20	HHCD	
CCCCC[C@@H](C)Cc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	771065912	HAJZVMRWOIUXOF-GOSISDBHSA-N	414.550	3.728	10	20	HHCD	
C[C@H](NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	776243134	CFQOKFZUQYZZES-MGPUTAFESA-N	414.937	3.914	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCSc2c(F)cccc21	788458724	FZFLOOULNYZCLB-QGZVFWFLSA-N	402.491	3.623	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	787139929	RYFYIRPOGCAERF-HZPDHXFCSA-N	406.935	3.773	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N(C)C)c(Cl)c1	783315552	YMVLRGVNJJRKCG-UHFFFAOYSA-N	416.953	3.848	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2ccc(N3CCCCC3)cc2)C1	780504162	LUWGSNMLCWBVAO-GBXCKJPGSA-N	413.562	3.940	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3c(C)nn(COC)c3C)n2)cc1	789728080	TVOQUPNRBROQCM-UHFFFAOYSA-N	406.533	3.591	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ncsc1C(F)(F)F	792237417	CXSNRGVRWUHNDA-LBPRGKRZSA-N	419.856	3.915	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1NCCCSc1nccs1	796771984	NYESUMDGHCTURV-RRFJBIMHSA-N	401.598	3.533	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(O)c1	794379862	YFZONOLBZZIKEX-AWEZNQCLSA-N	422.441	3.807	10	20	HHCD	
Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	796768944	NKNNHGKNVIZHLA-UHFFFAOYSA-N	406.461	3.517	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)c(C)n1-c1ccccn1	1318422161	QARWHDALNSOPEM-UHFFFAOYSA-N	403.891	3.798	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](O)c1c(F)cccc1Cl	1318980658	XHWXQPLPORQYTG-LHSJRXKWSA-N	409.908	3.582	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnoc2)C3)cc1	1800514358	RWRIQHUUFPOZTK-QQFNCUIESA-N	418.497	3.648	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)c2cnn(C)c2)c(C)n1-c1ccc(OC(F)F)cc1	12851528	ZMKLYELRTHZESU-AWEZNQCLSA-N	417.412	3.857	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCO[C@@H](C)C1	10085416	VFOIRYIAONWCRP-ZDUSSCGKSA-N	424.364	3.672	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)ccc21	148965090	CBRGLFGKXBAIFV-IBGZPJMESA-N	412.603	3.842	10	20	HHCD	
Cc1cc(C(=O)N(C)CCCN2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1	303521182	QCAIAQDACLWNPP-UHFFFAOYSA-N	410.606	3.927	10	20	HHCD	
Cc1nc([C@H](NC(=O)NCc2c(C)c3ccccc3n2C)c2ccccc2F)no1	472048318	KVFYNKIJCCJYFU-HXUWFJFHSA-N	407.449	3.906	10	20	HHCD	
Cc1cc(C(=O)NC(C)(C)c2noc(CN(C)C)n2)c(C)n1-c1ccc(Cl)cc1	725753732	KXOJPJDTMIANCV-UHFFFAOYSA-N	415.925	3.857	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCN(C(=O)c4cccc(O)c4)CC3)c2C)c1	725904799	XTBCGDWEXFGFPK-UHFFFAOYSA-N	417.509	3.706	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3nc4ccccc4s3)cc2F)CC1	730110615	ORSUNFJNXYFCTB-UHFFFAOYSA-N	413.522	3.899	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)NCc1ccc(OC(F)F)cc1	731844731	MUKPHSGLYOKHCJ-UHFFFAOYSA-N	416.424	3.905	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2ccccc2Cl)C1=O	732241656	ODTSNONHXOODKU-LJQANCHMSA-N	412.921	3.545	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1F	733040734	IFSGMLDIKVLWFP-GOSISDBHSA-N	420.573	3.756	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c1	734060707	GGNQYCRTJQVQSP-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@H]2CCCO2)c(C)n1-c1ccccc1Br	734442971	DFENOIMMBGBFHX-MRXNPFEDSA-N	421.335	3.782	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCSC[C@H]1c1ccccc1	734660621	SKKLDLKMPNOVGF-NRFANRHFSA-N	415.534	3.662	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1F	735112755	ISAZOPXYMNBBLN-OAHLLOKOSA-N	422.451	3.571	10	20	HHCD	
Cc1cc(C(=O)CS(=O)(=O)c2cccs2)c(C)n1-c1ccc2c(c1)OCCO2	735383181	JMESKXUBVOUFRK-UHFFFAOYSA-N	417.508	3.583	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)N(CC)CC3)cc1	737118048	PTQOYORUJONJEN-UHFFFAOYSA-N	408.546	3.512	10	20	HHCD	
Cc1cc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)c(C)n1-c1ccc(C(C)C)cc1	742180315	VMZUMGRSBDAPES-HXUWFJFHSA-N	420.600	3.777	10	20	HHCD	
O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC=C(c2c[nH]c3ncccc23)CC1	742392182	MIPFMXIRNNDWHS-UHFFFAOYSA-N	405.414	3.721	10	20	HHCD	
Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	743559949	QTBVZWBDBPOUDE-LADGPHEKSA-N	423.557	3.799	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@@H](Cc2ccccc2)C1	745647565	LEYCEFUWLJQIKO-FQEVSTJZSA-N	411.521	3.561	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CC[S@](C)=O)c(C)n1-c1cccc(Br)c1	746002211	BQSYPGVXVRCHDU-MCFWBGNESA-N	411.365	3.744	10	20	HHCD	
COC(=O)c1cc2c(/C=C3/SC(N4CCCCC4)=NC3=O)ccc(OC)c2o1	748997256	CBHACKRXONRQKD-MHWRWJLKSA-N	400.456	3.684	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	751307027	UJKJSHPQPDHOEL-MBSDFSHPSA-N	407.558	3.711	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	754678069	ZXYRYCQXGYKORH-USXIJHARSA-N	409.324	3.644	10	20	HHCD	
Brc1cccc(N2CC[C@H](NCc3ccc(N4CCOCC4)cc3)C2)c1	756100532	JXLSMGYXXHQQLU-IBGZPJMESA-N	416.363	3.654	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3cc([N+](=O)[O-])ccc3O)cc2F)C[C@@H](C)O1	756421272	HGLMOKXWPQLMEI-QLFBSQMISA-N	403.454	3.904	10	20	HHCD	
COc1ccc(-n2c(C)cc(CN(C)C(=S)NC[C@@H]3CCCCO3)c2C)cc1	758242876	ZEKBJOGWVCEFJT-NRFANRHFSA-N	401.576	3.978	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)cc(OC)c1OC	759223620	RJHBTXRFWOBMDQ-QFIPXVFZSA-N	412.530	3.801	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H](C)c3cccc(Cl)c3)CC2)cc(OC)c1OC	759225564	PNZMRUDENDPNAD-OAHLLOKOSA-N	418.921	3.818	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3sccc3C(C)C)CC2)cc(OC)c1OC	759239434	LISYGIABBDLFLC-UHFFFAOYSA-N	404.532	3.860	10	20	HHCD	
CC(C)(C)OC(=O)NCC1CCN(C(=O)NCCCSc2nccs2)CC1	759602376	UICWTFDVJWETAY-UHFFFAOYSA-N	414.597	3.572	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(OC)c1OC	759928225	QHKXAECMFCRMDC-UHFFFAOYSA-N	423.872	3.859	10	20	HHCD	
CCOCCC1(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCCC1	760812625	KRPVOHMKOSJMNZ-UHFFFAOYSA-N	403.567	3.950	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)cc1	763890857	HHGZVNIONMIOMV-UHFFFAOYSA-N	413.499	3.865	10	20	HHCD	
COc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)ccc1OCC(N)=O	765410975	VYDZMAKPNLUDMG-INIZCTEOSA-N	415.509	3.540	10	20	HHCD	
CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	765827179	QHPDIDURPPVKDG-NRFANRHFSA-N	420.517	3.872	10	20	HHCD	
Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CCCO2	765979611	MNMVTHCBYFYZAI-QFIPXVFZSA-N	414.571	3.542	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1C	766946685	QUDAOIKBJNWJED-XUZZJYLKSA-N	420.557	3.907	10	20	HHCD	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(N4CCC(C)CC4)c3)ccc21	767692554	XLTHUQSRIZLURC-UHFFFAOYSA-N	415.515	3.652	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCCN(CC(F)(F)F)CC2)ccc1N1CCCCC1	768265313	WSPIKNSHWSANIP-UHFFFAOYSA-N	400.445	3.655	10	20	HHCD	
COc1c([N+](=O)[O-])ccc([C@H]2N(Cc3ccco3)C(=O)c3ccccc3N2C)c1O	772179598	VNYBPHKRMWIIAQ-HXUWFJFHSA-N	409.398	3.693	10	20	HHCD	
C[C@@H](NC(=O)/C=C/c1ccc(I)o1)c1ccc(N(C)C)cc1	773001407	UFRVOYRVXGTACP-LMMOQWNQSA-N	410.255	3.841	10	20	HHCD	
CCc1ncc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)s1	775209473	XOQHBNJGQJJNKV-UHFFFAOYSA-N	408.530	3.588	10	20	HHCD	
COC(=O)c1ccccc1CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	775656479	HLARVIYSEYYSER-UHFFFAOYSA-N	406.482	3.904	10	20	HHCD	
C[C@@H](NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)c1ccc(N(C)C)cc1	776249994	RRPQRNPHEZFJPB-FZKQIMNGSA-N	421.950	3.637	10	20	HHCD	
COc1ccc(N[C@@H](C)c2cc(Br)cc(C)c2O)cc1-n1nnnc1C	779050210	PIDLQORUTPKRGB-NSHDSACASA-N	418.295	3.929	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	779511208	PBEXPIHLXWCKKY-IGKXFLDPSA-N	409.417	3.706	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(O)(c2c(F)cccc2F)CC1)c1ccc(N(C)C)cc1	779660540	IQIOYJUEQHIZPI-OAHLLOKOSA-N	403.473	3.785	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2C[C@@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	782625906	ZZYHVYSAAGXMQX-WCJKSRRJSA-N	404.457	3.581	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)NCCCSc2nccs2)C1	782980631	ZZMIGRZUPIDKOT-KBPBESRZSA-N	414.597	3.760	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC([C@H]4CCCO4)CC3)cc2F)C[C@@H](C)O1	784071268	NDXZTWMAWBHWPS-HYFFOGBASA-N	419.541	3.540	10	20	HHCD	
CCOCc1cc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ccc1OC	786842386	XYMQVUZGGXJQEY-NRFANRHFSA-N	418.484	3.791	10	20	HHCD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	789881261	LUXAQMFAZFKTMX-HXUWFJFHSA-N	408.608	3.876	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1	790337057	SZCGDTMFLHADMH-UHFFFAOYSA-N	402.438	3.704	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790556401	FXZWJHUARNLFOB-FPOVZHCZSA-N	406.530	3.834	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1nc(C(C)C)no1	791249310	DSZJPBPRGHKUND-UHFFFAOYSA-N	416.522	3.514	10	20	HHCD	
CCOC1(C)CCN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	794623524	FMYGTKILKPLFFI-INIZCTEOSA-N	420.509	3.680	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2cncnc2)c(C)n1-c1ccc2c(c1)CCC2	796167444	LNBCLGIOJHHIQT-UHFFFAOYSA-N	403.482	3.732	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)OCC(=O)N4C)c2C)cc1	799057194	YQVVUJWIVROSJZ-UHFFFAOYSA-N	405.454	3.710	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccccc1Oc1ccccc1	803646714	ZFTPCQWEILNAMK-UHFFFAOYSA-N	417.509	3.820	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803677142	GUZBYXHHMGBWPJ-OAHLLOKOSA-N	412.534	3.554	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)ccc21	806635219	PEPMHEXXENNRLL-AZUAARDMSA-N	411.571	3.779	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2ccc(Cl)nc2C)nc1-c1ccccc1	808557414	RSNBVHKNKCGLMD-UHFFFAOYSA-N	422.919	3.926	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc2c1COC2=O)c1ccc(N)cc1	808938482	WOVVYRQZOJWZTD-OAHLLOKOSA-N	415.449	3.672	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1COc2ccccc2[C@H]1O	808975448	XKKWQXHJLJPCJA-TZIWHRDSSA-N	416.437	3.651	10	20	HHCD	
CCOCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ccccc1O	812189122	QMIACMWEKCQBFP-OAQYLSRUSA-N	424.501	3.559	10	20	HHCD	
C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cccc(C(F)(F)F)c1O	815568971	AROJYMXRGXUDOX-MRXNPFEDSA-N	424.463	3.973	10	20	HHCD	
O=S(=O)(c1ccc(NNC(=S)Nc2ccc(Cl)cc2)cc1)C(F)(F)F	914702911	DBPWSFATTOOSFQ-UHFFFAOYSA-N	409.842	3.947	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@H]3c3ccccc3)CC2)cc1	916196717	GAWQLABIYGTNDZ-DEOSSOPVSA-N	422.573	3.754	10	20	HHCD	
O=C(NCCCOc1ccccc1F)NCc1ccc(N2CCSCC2)cc1	916222421	CMIOVUGJIIDTAX-UHFFFAOYSA-N	403.523	3.647	10	20	HHCD	
CCOC(=O)N[C@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)CC(C)C	916632599	XJIWSQIMSODAGV-FQEVSTJZSA-N	418.582	3.979	10	20	HHCD	
Cn1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc2ccccc21	917687061	MLDIEYQMYKYJJC-UHFFFAOYSA-N	417.431	3.964	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCNC3CCCCC3)cc2F)C[C@@H](C)O1	918154540	BCNUAAFJXRBSQD-HDICACEKSA-N	420.573	3.551	10	20	HHCD	
CN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918219699	NPSYWJBSSWBARY-UHFFFAOYSA-N	423.891	3.921	10	20	HHCD	
Cn1cc(/C=C\C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cn1	918681834	MZWRGZKFZDDZGV-GHXNOFRVSA-N	404.445	3.804	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)COCc1ccccc1	919798628	FVQKLRFOGBUDGR-KNQAVFIVSA-N	412.530	3.936	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCOCC2)cc1	920872303	RSWXICYAGITJAK-DLBZAZTESA-N	422.529	3.529	10	20	HHCD	
CCC(CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)N1CCCC1	920920541	IGVYXEGXXJSDJT-AUSIDOKSSA-N	416.610	3.784	10	20	HHCD	
Cc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1N1CCN(C)CC1	1318479236	QFDCMGMFOQOYNE-UHFFFAOYSA-N	403.530	3.802	10	20	HHCD	
CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830736809	JYYIYHBXJLLWNW-QGZVFWFLSA-N	408.926	3.785	10	20	HHCD	
CC(C)c1noc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)n1	29137704	WGXCSJGFDOXGIA-UHFFFAOYSA-N	410.813	3.979	10	20	HHCD	
CCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1-c1ccc(F)cc1	110353248	PTDFFLBEWKNEFN-UHFFFAOYSA-N	422.504	3.981	10	20	HHCD	
CCOc1ccc(O)c(CNCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1	725845822	NCOGFQIECKJJOF-KRWDZBQOSA-N	418.559	3.501	10	20	HHCD	
CCC[C@@H]1CCc2c(sc(=O)n2CN(C)Cc2ccc(N3CCOCC3)cc2)C1	728040741	HUMLSTXDQWPIOJ-GOSISDBHSA-N	415.603	3.741	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)c1	729280031	HJFDOZYGACHQQZ-MNOVXSKESA-N	411.285	3.703	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1	729534669	APFJGKSATIOWLW-SNVBAGLBSA-N	414.336	3.741	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	731282307	LKXKOFDOUQDCEM-QGZVFWFLSA-N	405.539	3.961	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	731284326	PVLDEMWXBVDLHF-NRFANRHFSA-N	411.502	3.632	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)n1	735518256	RQWWFQVOXYLTEV-HSZRJFAPSA-N	419.525	3.945	10	20	HHCD	
CC(C)n1ncc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc21	737136155	GGIUFTHRSOIVGM-UHFFFAOYSA-N	419.529	3.813	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1CCCNC(=O)NCc1ccc(N2CC=CC2)cc1	740906547	FYJVBPRLUKMGKA-UHFFFAOYSA-N	415.541	3.989	10	20	HHCD	
COc1cc([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)cc(OC)c1OC	740908200	TUFUKPVXMNHGMH-MRXNPFEDSA-N	411.502	3.649	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	741907888	YQHFWKZULICFHY-UHFFFAOYSA-N	423.391	3.689	10	20	HHCD	
CN(c1ccc(CNC(=O)CNC(=O)Cc2cccc(F)c2)cc1)C1CCCCC1	742416059	KLRZBXHPVOMVRD-UHFFFAOYSA-N	411.521	3.570	10	20	HHCD	
CCn1nc(C)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl	742799387	KMMAADBVVWXRQW-ZDUSSCGKSA-N	412.868	3.865	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc(OCC(=O)N2CCCC2)c1	743088724	FIYWEQGAOKCZBD-UHFFFAOYSA-N	423.513	3.594	10	20	HHCD	
O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743542479	QEGKHQWBMBHLCQ-OAHLLOKOSA-N	420.416	3.664	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@H]1c1ccco1	745904745	SVCGSBUOSYJVPM-QAPCUYQASA-N	421.444	3.633	10	20	HHCD	
Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCc1ccccc1O	747934356	KXXRQDSRHGEYLV-UHFFFAOYSA-N	414.303	3.946	10	20	HHCD	
CCCN1CCN(c2ccc(NC(=O)NCc3ccccc3O)cc2Cl)CC1	748445436	YNVIPPPTULSKGI-UHFFFAOYSA-N	402.926	3.899	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1OCCc2ccccc21	749856522	SQOBENGTVPGVEA-OXQOHEQNSA-N	402.441	3.687	10	20	HHCD	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	753004764	IOWWTQKOJAWAJW-UHOSZYNNSA-N	422.520	3.525	10	20	HHCD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	753640411	NOWGUTCRKJTEOS-CYBMUJFWSA-N	413.905	3.974	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1	753829272	PNEBPTMJYDQSRD-HNNXBMFYSA-N	422.485	3.526	10	20	HHCD	
C[C@H](N[C@H]1CCc2c[nH]nc2C1)c1cc(Br)cc(Br)c1O	756645193	FELCGXFAFBSIRQ-KWQFWETISA-N	415.129	3.848	10	20	HHCD	
COc1cccc(NC(=O)CN(C)C(=O)CSc2ncc(C(C)(C)C)s2)c1	759713172	GSBYEXSEIQJHNE-UHFFFAOYSA-N	407.561	3.638	10	20	HHCD	
COc1ccc([C@H]2NC(=O)N(Cc3ccc(N(C)C4CCCCC4)cc3)C2=O)cc1O	761176276	FWDXBFPMWYYICO-JOCHJYFZSA-N	423.513	3.963	10	20	HHCD	
CN(C)c1ccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1	761991299	ZQJSCWKQJUQWMU-UHFFFAOYSA-N	413.518	3.982	10	20	HHCD	
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCc1ccc(O)c(O)c1	762274177	HHUDZGIABBSZRW-JTQLQIEISA-N	414.683	3.640	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1	762438602	ILMKIOQZPUDCBN-UHFFFAOYSA-N	415.465	3.759	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CC[S@@](=O)C[C@H](C)C3)c2C)c1	763874489	AIPULABFFQZGJG-YVORESIASA-N	404.601	3.699	10	20	HHCD	
CCN(CC)C(=O)[C@H](Cc1ccccc1)NC1CCN(c2ccc(OC)cc2)CC1	764457500	LSSMEUJGPMHUJZ-DEOSSOPVSA-N	409.574	3.733	10	20	HHCD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	765001267	LPJHTTSPDCOIRY-HKUYNNGSSA-N	411.502	3.878	10	20	HHCD	
CCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1S(C)(=O)=O	765598074	ANPBGYGCXFLVLE-UHFFFAOYSA-N	400.544	3.523	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(OC)c1[N+](=O)[O-]	768032671	WBPYKLXQDIWRSZ-UHFFFAOYSA-N	409.236	3.734	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1-c1ccccc1	768033828	GLRWTRFMRZXFBW-UHFFFAOYSA-N	420.513	3.764	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C(F)(F)F)nc1O	769293087	YHDZMJGXHSFIKI-UHFFFAOYSA-N	419.197	3.936	10	20	HHCD	
Cc1ccc(F)c(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	769630848	LXITVVXZCAGBQZ-UHFFFAOYSA-N	406.460	3.954	10	20	HHCD	
COCCc1nc(C)c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	771374591	KSAPCVFGSGWCGX-CQSZACIVSA-N	407.555	3.591	10	20	HHCD	
CC[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N(C)C)cc1	772952545	HPZNNTHUQFNRTR-QHCPKHFHSA-N	415.603	3.894	10	20	HHCD	
CC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1O	775486799	HVQPVTVOMGOBTK-OAHLLOKOSA-N	403.331	3.630	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)oc3C)n2)s1	776302560	PKHSWGBLJCVZOJ-UHFFFAOYSA-N	411.530	3.518	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc2cc(Cl)ccc2[nH]1	777827512	AYJKBBDHSNDEJP-UHFFFAOYSA-N	407.253	3.996	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)NCCCSc2nccs2)c(Cl)c1	782115604	RVSGTILWWDFYGG-UHFFFAOYSA-N	413.952	3.821	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1cn(-c2ccccc2)nn1	784671322	LMYOCEQZWKBDRE-CQSZACIVSA-N	405.483	3.815	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(C)c1F	785194891	LWKRPDONURMHNS-UHFFFAOYSA-N	409.255	3.589	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCc3cccc(OC(C)C)c3)cc2)CC1	786840436	CSMFLINNEGRSHC-UHFFFAOYSA-N	423.557	3.643	10	20	HHCD	
CC(C)(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	788234872	OVEJZVMNRHZYPX-IRLDBZIGSA-N	424.541	3.803	10	20	HHCD	
Cc1oc2c(CN3CC[C@H](N4CCCC4=O)C3)c(O)ccc2c(=O)c1-c1ccccc1	790451564	DANGYXYHYDIQMQ-SFHVURJKSA-N	418.493	3.671	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H]3CCC[C@@H](c4ccnn4C)C3)cc2F)C[C@@H](C)O1	790486596	DEYUQDRHCIIQGD-PIKOESSRSA-N	400.542	3.989	10	20	HHCD	
CN(CCCNC(=S)Nc1ccc(F)c(N2CCOC2=O)c1)c1ccccc1	795015108	NJGPMCCTVSJZOC-UHFFFAOYSA-N	402.495	3.595	10	20	HHCD	
Cc1onc(-c2cccnc2)c1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21	797036331	MYSDOHNAWUGYHG-SFHVURJKSA-N	416.481	3.802	10	20	HHCD	
COc1cc(O)c(CNc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1OC	798275740	UMIIKNAQJVNQJW-UHFFFAOYSA-N	415.490	3.710	10	20	HHCD	
CCn1ncc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c(C)nc21	799592787	FBZYMJYTKFKFFR-OAQYLSRUSA-N	421.545	3.647	10	20	HHCD	
Cc1cc(-c2nnc(N3C[C@@H](C)O[C@@]4(CCCOC4)C3)n2C)c(C)n1-c1ccccc1	800742317	GOSKVHBNLUJEDD-KOSHJBKYSA-N	421.545	3.664	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(C)n1-c1ccccn1	805273144	GSBRTUUSJBDQDM-MRXNPFEDSA-N	422.451	3.552	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1cc(F)c(F)cc1N1CCOCC1	806713466	MHVYXLMZEXGGFK-UHFFFAOYSA-N	416.472	3.723	10	20	HHCD	
Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)NCc1cc(Cl)cc(Cl)c1O	807838625	ZJEVFFGUIIJGGZ-UHFFFAOYSA-N	423.300	3.552	10	20	HHCD	
CCOC(=O)[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCCOC1	809652654	KCRMHPAFOJGZLU-LADGPHEKSA-N	408.542	3.697	10	20	HHCD	
C[C@]1(CNC(=O)NCc2cccc(Br)c2O)OCCc2sccc21	811943577	KETPGZJBFRGSGH-QGZVFWFLSA-N	411.321	3.504	10	20	HHCD	
CC[C@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@H]1CCCO1	812306724	BTNBSWCQSSDZMQ-RXVVDRJESA-N	413.566	3.696	10	20	HHCD	
Brc1cccc2c1C[C@@H](NCc1ccc(N3CCOCC3)cc1)CC2	815118913	VCTHFKMQDGAJCO-SFHVURJKSA-N	401.348	3.933	10	20	HHCD	
O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccc3ccccc3c2O)CC1	816482064	SWRPNVYMKHFTOW-UHFFFAOYSA-N	416.930	3.705	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	819756287	QXEOLTXSKZJLQG-UHFFFAOYSA-N	404.444	3.840	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1	916502199	FEVDPDWAOWLWOG-UHFFFAOYSA-N	409.530	3.893	10	20	HHCD	
CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCCN(c2ccc(OC)cc2)CC1	917209218	XZUISHCGPVXIIY-FQEVSTJZSA-N	400.523	3.701	10	20	HHCD	
O=C(NCCc1cccc2ccccc12)NCc1ccc(N2CCC(O)CC2)c(F)c1	918209269	UWMSOPWRKFSFAQ-UHFFFAOYSA-N	421.516	3.982	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3cccc4cccnc34)cc2F)C[C@H](C)O1	918632660	AOCMQTAHHSCDLF-IRXDYDNUSA-N	407.489	3.846	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3csc(-c4ncccc4F)n3)CC2)cc1	1320487042	LIDKLWUUXFLGEK-UHFFFAOYSA-N	412.490	3.705	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	1337155430	FXBRBUQNKXKRPB-WIYYLYMNSA-N	411.521	3.618	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c2C)c1	15524619	OZBLEIZWOMNKLV-UHFFFAOYSA-N	411.527	3.905	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc4c3OCCCO4)ccc21	431895955	JHJILYJMCJLAPF-UHFFFAOYSA-N	408.498	3.996	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cnn(Cc4ccncc4)c3)ccc21	486108164	SRLCXFMGHBONMG-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566726	BMZWJRRXCUYJEP-UHFFFAOYSA-N	405.401	3.903	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1	726601723	SDJQRNUSAZAIHL-UHFFFAOYSA-N	415.342	3.949	10	20	HHCD	
Cc1cccc(OCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726609289	QFQJTNOVKXTNOT-UHFFFAOYSA-N	419.472	3.943	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCCN3CCCC[C@@H]3C)CC2)cc1	726611007	MLPWTIXEROMTBL-IBGZPJMESA-N	402.583	3.618	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c2c(c1)C[C@H](C)O2	727861251	QFVXHODKLKHVDW-VZWMTCDZSA-N	420.600	3.808	10	20	HHCD	
CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2C1	727946830	PYQOLQISMFKMGW-GOSISDBHSA-N	422.573	3.710	10	20	HHCD	
O=C(Cc1ccccc1Br)NCc1ccc(N2CCSCC2)cc1	729323189	PKGTXARKTWVCSH-UHFFFAOYSA-N	405.361	3.861	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nnnn3C3CCOCC3)c2C)c1	729937093	PRBXTSYSENRVLD-UHFFFAOYSA-N	411.531	3.716	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccccc3F)cc2F)CC1	730194812	PWJIPVOCHDQTMO-KRWDZBQOSA-N	401.501	3.917	10	20	HHCD	
COC(=O)C(C)(C)N(C)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	731006671	QXARGTFBLXCAKI-UHFFFAOYSA-N	407.308	3.880	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	734071634	NOSKWXAYEFLAFV-SFHVURJKSA-N	407.436	3.827	10	20	HHCD	
COc1ccc(N2C[C@@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)cc1	735926852	GVFUSLUUUXJPTB-SFHVURJKSA-N	420.465	3.576	10	20	HHCD	
COC(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c1	741712476	WJDQMTDTTJUHDU-UHFFFAOYSA-N	409.530	3.842	10	20	HHCD	
COc1cccc(O[C@@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1	743555045	OTLCOKITOXSBOD-KRWDZBQOSA-N	415.559	3.515	10	20	HHCD	
Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743623750	DQFACBPLJKOBNZ-CJNGLKHVSA-N	422.476	3.792	10	20	HHCD	
CCN(CC(=O)Nc1ccc(C(C)=O)cc1)Cc1cc(Br)ccc1O	744426306	RCHKDBYFISXVMT-UHFFFAOYSA-N	405.292	3.818	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COC(=O)c3cc4cc(C)c(C)cc4o3)CC2)cc1	745582383	BVIOETKQUDCSJL-UHFFFAOYSA-N	422.481	3.564	10	20	HHCD	
Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1	746304817	SALPNPACUKBZPY-UHFFFAOYSA-N	417.513	3.787	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)c(C)c2)SC1=S	746395468	XTTYFVSBLLOTHE-LCYFTJDESA-N	414.346	3.912	10	20	HHCD	
CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	748470163	KBZGDKZTDZYRAW-OAQYLSRUSA-N	423.517	3.610	10	20	HHCD	
O=C(C[C@@H]1CSCCS1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	751841751	ITIQSAFKFKDIOE-MRXNPFEDSA-N	402.532	3.612	10	20	HHCD	
Cc1ccc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1	754051298	JYGCYZNJWOIMQA-IBGZPJMESA-N	401.507	3.579	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)ccc1-n1cccn1	755014271	MTODWOZBIQFBKZ-UHFFFAOYSA-N	406.364	3.667	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4c(F)cccc4C3)cc2F)C[C@H](C)O1	757009396	CITCJZSDOACOIL-HOTGVXAUSA-N	415.484	3.846	10	20	HHCD	
CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)c2ccccc21	757009482	CTNDNFYIUQFDKI-OAQYLSRUSA-N	424.570	3.537	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2ccnn2Cc2ccccc2Cl)cc1F	757851122	CLVJXRLRDNVVIH-UHFFFAOYSA-N	402.857	3.807	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1	758419321	DIYYOAOTXFWSJR-DEOSSOPVSA-N	424.589	3.623	10	20	HHCD	
CC1CCN(c2ccc(CN3C(=O)N[C@@H](c4ccc5c(c4)CCO5)C3=O)cc2)CC1	761275162	DNPGUHGTCQSQSW-QFIPXVFZSA-N	405.498	3.651	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COC/C=C/c3ccccc3)cc2F)C[C@@H](C)O1	763281569	NQUXQCWAEIHHRX-DCQHUWKXSA-N	412.505	3.786	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1C	764065974	BIWAEEMKPNSVEO-AUSIDOKSSA-N	408.590	3.501	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)NCc2cccc(Br)c2O)c1	764807710	UWFXMNSGCFUPIE-DOTOQJQBSA-N	405.292	3.909	10	20	HHCD	
CN(C)[C@H](C(=O)NCc1cccc(Br)c1O)c1c(F)cccc1Cl	765731181	ZESILSHSIGWLNM-HNNXBMFYSA-N	415.690	3.866	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1F	769087597	NCWZUUDDEFGOGJ-YADHBBJMSA-N	407.493	3.816	10	20	HHCD	
COc1cccc(CNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1O	769508188	QXPBAFOQMJSMEA-LJQANCHMSA-N	412.486	3.552	10	20	HHCD	
COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	769526861	NGQROGSJUOYQBP-OAHLLOKOSA-N	418.755	3.717	10	20	HHCD	
O=C(Nc1ccc(Cl)nc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769653753	SYDXGUCILHYSFA-UHFFFAOYSA-N	409.876	3.555	10	20	HHCD	
CC(C)N(Cc1ccco1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769734893	HGWLWQPYCFSIQK-UHFFFAOYSA-N	420.512	3.898	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(Cc4cccc(F)c4)CCC3)cc2)C1	775806354	HSHASYUKCWJKBK-HXUWFJFHSA-N	423.532	3.557	10	20	HHCD	
C[C@H](NCC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1	775833285	AXSXBKZFGBZZAS-HNNXBMFYSA-N	409.452	3.661	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccccc1I)c1ccc(N(C)C)cc1	775836668	PATQLQAONCVUPT-CYBMUJFWSA-N	423.298	3.647	10	20	HHCD	
CC1(C)CS(=O)(=O)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	775945280	RHUFZAHLJURUFY-UHFFFAOYSA-N	400.504	3.550	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(CNC(N)=O)cc1	777826087	GUKQNJUOBOWHPC-KRWDZBQOSA-N	403.482	3.964	10	20	HHCD	
CC[C@H](C)n1nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C	777947166	OZUHLCFSWMVASH-USXIJHARSA-N	402.514	3.845	10	20	HHCD	
Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	781375245	GLJJOSONSOLJKE-NRFANRHFSA-N	411.550	3.546	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(CC(C)(C)O)C[C@H]3C)c2C)cc1F	781944170	VJVQOSTYTOLVKZ-GOSISDBHSA-N	415.553	3.501	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(Cc2ccc(F)cc2)CC1	783653327	SJVXVQXIPKPSOT-UHFFFAOYSA-N	400.469	3.565	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1F	788239776	AJHQYAPVAMUWTO-IBGZPJMESA-N	403.473	3.551	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(Nc3cccc(C)c3)CC2)cc1	788950331	INGVRSWEKOSABV-UHFFFAOYSA-N	422.573	3.561	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(F)cc1C	790410708	BEWLIZZMUHJVRG-UHFFFAOYSA-N	404.257	3.802	10	20	HHCD	
COc1cccc(Oc2ncccc2CNC(=O)NCc2ccc(OC)cc2O)c1	793044863	RJERCUBVWWJICK-UHFFFAOYSA-N	409.442	3.596	10	20	HHCD	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2C(F)(F)F)NC(=S)N1	794778807	BOTCRDNZRITDSA-HNNXBMFYSA-N	401.454	3.516	10	20	HHCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799908262	VJCMOWZVXFKXCH-HRCADAONSA-N	408.974	3.679	10	20	HHCD	
CCCCN(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1O	801599634	XEGUERQWIACZDH-UHFFFAOYSA-N	411.546	3.674	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-n2cccn2)cc1C	802609402	AQQIRZUCEGXIJR-UHFFFAOYSA-N	406.486	3.654	10	20	HHCD	
COc1cc(OC)cc(OCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	805212895	VRKLYUVEDMXUJB-UHFFFAOYSA-N	415.273	3.594	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H](CC2CC2)c2ccccc2)C2CC2)cc1	806294942	SGPVZKODNNJILD-HSZRJFAPSA-N	405.542	3.901	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1	806457185	FXDUTGLPOWAHOO-SJORKVTESA-N	413.484	3.586	10	20	HHCD	
CCc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1S(C)(=O)=O	807837518	SURVLZXYKMXXTE-UHFFFAOYSA-N	402.299	3.595	10	20	HHCD	
CC(=O)N1C[C@H]2[C@@H](NCc3ccc4c(c3)CCN4Cc3ccccc3)CCC[C@H]2C1	808445190	ALUGBUOIALJKGH-GVAUOCQISA-N	403.570	3.986	10	20	HHCD	
C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(F)(F)[C@H](C)C1	810045834	WXOWIDGZNZGTQG-ZIAGYGMSSA-N	412.436	3.766	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC[C@H](CS(C)(=O)=O)C2)cc1	816619793	VYKYQCVGEODOHH-QFIPXVFZSA-N	400.588	3.970	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(F)cccc1I	819755067	DELOKHQBIGGXBW-UHFFFAOYSA-N	420.218	3.552	10	20	HHCD	
CNc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1[N+](=O)[O-]	916565874	MLVUERWZKYFVIQ-IBGZPJMESA-N	412.490	3.524	10	20	HHCD	
COc1ccc(Cl)cc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	917709828	GGMJSXJSAQPNGR-GJZGRUSLSA-N	420.912	3.960	10	20	HHCD	
CC[C@@H](C)NC(=O)CCNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	918626221	IGGFYNFFULPECP-CYBMUJFWSA-N	420.351	3.891	10	20	HHCD	
CC(C)(C)OC(=O)NCCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O	1117439694	YHMQVSPGNPKXRE-UHFFFAOYSA-N	406.310	3.803	10	20	HHCD	
CN(C)C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(Cl)cc1	1321288834	HCHVHXLZFOAYRL-OAQYLSRUSA-N	404.961	3.623	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1csc(-c2ccc3c(c2)OCO3)n1	1323482509	IKVASDCKPXXFJD-UHFFFAOYSA-N	400.803	3.981	10	20	HHCD	
C[C@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	6291376	FJJIKQDJUHYMCR-GJZGRUSLSA-N	403.434	3.689	10	20	HHCD	
O=S(=O)(Nc1ccc(O)cc1)c1ccc(Br)cc1Br	48440715	WGVQZBXSFYXSKM-UHFFFAOYSA-N	407.083	3.718	10	20	HHCD	
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1	55367877	UPEAMNIPIYWLGC-UHFFFAOYSA-N	401.532	3.616	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3CC(F)(F)F)c2C)cc1	116541642	VQAJLPWWYBZEQQ-UHFFFAOYSA-N	409.437	3.926	10	20	HHCD	
COc1cc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)c([N+](=O)[O-])cc1OC	220708777	KGHHHMHCMOIXJL-GHXNOFRVSA-N	413.455	3.945	10	20	HHCD	
O=[N+]([O-])c1cncc(Br)c1NCc1ccc(N2CCSCC2)cc1	301857153	ZNTNFFQBKBPUFU-UHFFFAOYSA-N	409.309	3.918	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)n(C)c2ccccc12	472245302	YXFJGLPNSDEMNJ-FXAWDEMLSA-N	401.457	3.523	10	20	HHCD	
CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	726432441	JKSUHLMTNMBTQW-LBPRGKRZSA-N	420.494	3.501	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)COc3ccccc3C(F)(F)F)CC2)cc1	726563392	JPEDDUCYQBBQEG-UHFFFAOYSA-N	408.420	3.878	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)cc1	726628335	WIAUDNAIIQDNNT-ZROIWOOFSA-N	419.325	3.954	10	20	HHCD	
COCCOc1cc(C)ccc1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726696273	RSXCUIQCVCWPPW-UHFFFAOYSA-N	413.518	3.819	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cccc(Br)c3)CC2)cc1	726707452	AOAYHUHLNRGSIE-UHFFFAOYSA-N	418.379	3.760	10	20	HHCD	
COc1ccc(-c2nc(COC(=O)c3ccc(C)c(O)c3O)cs2)c(OC)c1	727007302	JIMBUZNBCZDBQG-UHFFFAOYSA-N	401.440	3.904	10	20	HHCD	
Cc1cc(C(=O)Cn2nc(C(C)(C)C)ccc2=O)c(C)n1-c1ccc2c(c1)OCCO2	727269344	PURPGBFHOGXEFT-UHFFFAOYSA-N	421.497	3.602	10	20	HHCD	
COC(=O)Nc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1F	727593757	DKLKABJKHPISGL-MRXNPFEDSA-N	417.437	3.923	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1	728941992	MODMSDZNHBECBX-SFHVURJKSA-N	415.843	3.655	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H](n3ccnc3)C2)c(C)n1-c1ccc2c(c1)OCCO2	729265825	OASSRLVLPZBVGR-HXUWFJFHSA-N	420.513	3.582	10	20	HHCD	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	738461065	UGWCARVRCOQEQO-OAHLLOKOSA-N	401.457	3.630	10	20	HHCD	
Cc1c(CC(=O)N(Cc2ccco2)Cc2ccccc2O)nnn1-c1ccccc1	743432640	OSMJKGOSNFWIBX-UHFFFAOYSA-N	402.454	3.646	10	20	HHCD	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)ccc2c1CCCC2	743716569	SCECGSGFZHPPQK-KRWDZBQOSA-N	408.564	3.534	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)c2C)cc1	743802211	MPKZNHBLSGBJKE-UHFFFAOYSA-N	405.454	3.710	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(-c2ccc(F)cc2)n1	743809200	NSHRPAINEPZQRJ-UHFFFAOYSA-N	419.254	3.537	10	20	HHCD	
Cc1noc(Cl)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	744325661	UDIVQSDIBNVVMH-STQMWFEESA-N	409.889	3.638	10	20	HHCD	
Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(C)n1-c1ccccn1	748299681	DRMYJOAGQTWIGD-UHFFFAOYSA-N	418.497	3.686	10	20	HHCD	
CCN1CC[C@@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C[C@H]1C	748967828	JYKUAGFXIAVNPN-VQIMIIECSA-N	424.536	3.771	10	20	HHCD	
Cc1cc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c(C)n1-c1ccccn1	749065348	AYVJHDLAUMQGBO-GOSISDBHSA-N	403.530	3.840	10	20	HHCD	
C[C@H]1C[C@@H](NCc2cccc(OCCN3CCOCC3)c2)c2c(O)ccc(F)c21	756467300	UMURROBKFNVHGS-OXJNMPFZSA-N	400.494	3.580	10	20	HHCD	
COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H](C)c1ccc(C)cc1O)CC2	756707404	OUITUWBZYWYDGG-KRWDZBQOSA-N	412.530	3.734	10	20	HHCD	
Cc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc([N+](=O)[O-])c1F	759771789	SYIVYTBDSBILSI-UHFFFAOYSA-N	421.494	3.853	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1	761967962	RHRAZSMVSMQYBK-LSDHHAIUSA-N	415.465	3.661	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2N(C)C2CCCC2)c1	762437677	AYQWQGFWJWDNBG-HNNXBMFYSA-N	411.502	3.596	10	20	HHCD	
C[C@@H](CSC(C)(C)C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765282135	STNNTQLEPJPPDS-KRWDZBQOSA-N	417.598	3.952	10	20	HHCD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	765975203	BEMHWXMXQZPFOH-WMLDXEAASA-N	418.335	3.501	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc2n[nH]cc12	767124628	BOYXSRNJFXKJJC-HUUCEWRRSA-N	411.481	3.946	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	769397029	STEQLNBARYWPQU-CVEARBPZSA-N	411.493	3.856	10	20	HHCD	
COCCC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1	769598791	FNDNSMOXDODWHU-QINSGFPZSA-N	424.613	3.662	10	20	HHCD	
O=C(COc1ccc2cc(Br)ccc2c1)NCCc1ccc(O)c(O)c1	770632704	ZTHOAOZSLZUCBR-UHFFFAOYSA-N	416.271	3.751	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(N(C)C)cc1	772410062	WJPUJDWHYLICAW-XYJFISCASA-N	404.555	3.901	10	20	HHCD	
CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NCc1c(O)ccc2c1CCCC2	772459561	IMVMMTABDLREBD-INIZCTEOSA-N	420.575	3.630	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(N(C)C)cc1	773621757	DSNUQTCRMSCVNJ-DLBZAZTESA-N	424.545	3.531	10	20	HHCD	
CC1CCN(c2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2[N+](=O)[O-])CC1	773749597	RGAQHGGYTWRNIR-HNNXBMFYSA-N	413.474	3.603	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SC[C@H]1CC(C(=O)OC)=NO1	774623040	UYZIQKORRVNEPO-CYBMUJFWSA-N	424.320	3.743	10	20	HHCD	
O=C1[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CCCN1Cc1cccc(C(F)(F)F)c1	776950953	VQZLMWSSUYMWBN-KRWDZBQOSA-N	423.391	3.600	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1c[nH]c2ccccc12	777829423	XBAOVFPTSCOEKY-UHFFFAOYSA-N	400.862	3.661	10	20	HHCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	778233939	JLNHFKUMYAYHGK-UXHICEINSA-N	410.474	3.693	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1	779479969	RKVRELVGCCPOBK-LKUPDRCFSA-N	404.869	3.857	10	20	HHCD	
O=C(O)C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1	779484653	DQMDRNUMSZVRSW-IBGZPJMESA-N	419.319	3.591	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(O)(c2c(F)cccc2F)CC1	779589609	FNKNIHFSXHVBGS-UHFFFAOYSA-N	413.468	3.534	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CCN2C(=O)OC(C)(C)C)cc1	782438137	WCGIKKNVRHAUHE-MRXNPFEDSA-N	415.456	3.653	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc2c1OCO2	782647099	XCBVNXIDHFGOAW-UHFFFAOYSA-N	423.391	3.592	10	20	HHCD	
C[C@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccccc1O	783502258	AQGRJDUWMYOLQX-INIZCTEOSA-N	414.502	3.861	10	20	HHCD	
CC(C)c1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-]	784255764	CXMLDMGLKQMWKG-UHFFFAOYSA-N	413.474	3.600	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CSc3ccc(Br)cc32)c1	787228192	SREHUOINMNQOFC-AWEZNQCLSA-N	409.305	3.810	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1	787338110	BDQGPYHJPYEYEN-SNVBAGLBSA-N	413.352	3.888	10	20	HHCD	
C[C@@H]1CN(C(=O)c2ccccc2SCc2cn3ccccc3n2)C[C@@H](C)S1=O	791172548	HZHAQHOOONQEJY-HZPDHXFCSA-N	413.568	3.608	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1NCCCSc1nccs1	796771985	NYESUMDGHCTURV-SOUVJXGZSA-N	401.598	3.533	10	20	HHCD	
O=C(COC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1ccc(O)c(O)c1	797510509	JRJFWRHGYPGVAR-UHFFFAOYSA-N	407.209	3.630	10	20	HHCD	
C[C@H](NC(=O)NC(C)(C)COCc1ccccc1)c1ccc(N2CCOCC2)cc1	798387575	JAZIRNPBTJEXHZ-IBGZPJMESA-N	411.546	3.879	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)cc2Cl)C1	800714723	UMWCZPYULJBZJP-CDMIOBSGSA-N	421.969	3.714	10	20	HHCD	
Cc1cc(-c2nnc(N3CC[C@@H](N4CCCCC4)C3)n2C)c(C)n1-c1ccccc1	800725091	PZFYOBMNEJFGID-OAQYLSRUSA-N	404.562	3.954	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1	802331020	GNTJSDVJDDUOLW-HXUWFJFHSA-N	423.513	3.832	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(C[S@@](C)=O)cc3)c2C)cc1	804866482	PTEOHDLOUCCQLN-GDLZYMKVSA-N	410.539	3.911	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc2ncsc2c1	807565412	LFSRTMDUNOSMCS-OAHLLOKOSA-N	422.554	3.731	10	20	HHCD	
COc1cc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)ccc1OCC(=O)N(C)C	808681880	KGTRUHUHRQWAOA-AWEZNQCLSA-N	406.910	3.680	10	20	HHCD	
COc1cc(Br)cc(CN2C[C@H](C)C(=O)N(C)c3ccccc32)c1O	809786149	RAZHCNKTRDYDHC-LBPRGKRZSA-N	405.292	3.782	10	20	HHCD	
Cn1cc(/C=C\C(=O)N2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)cn1	813302794	MDCUQYRPVCPRPR-GEXIGZQTSA-N	419.298	3.741	10	20	HHCD	
CCN(C[C@@H](C)OC)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	813320743	XQLYMAWMDJKMMJ-WDGDVPDHSA-N	412.602	3.613	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(Br)ccc3O)CC[C@H]21	814176881	UYFNKAJKIHQINU-CZUORRHYSA-N	411.340	3.986	10	20	HHCD	
CN(C)C(=O)COc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	916842204	VEPKGFJFHOWSEX-UHFFFAOYSA-N	412.490	3.664	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3ccc(OC(C)C)cc3)CC2)cc1	918008972	XNEFWXFBAZPCAL-UHFFFAOYSA-N	411.546	3.947	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1	918130353	SMQRIUIXRFQIRC-HXUWFJFHSA-N	402.498	3.980	10	20	HHCD	
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2	918187546	ATMUGHGNCFRQHG-UHFFFAOYSA-N	407.404	3.551	10	20	HHCD	
O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)cs1	918743920	SLXDQWTUJLRMDW-UHFFFAOYSA-N	406.872	3.935	10	20	HHCD	
Cc1cc(C(=O)NC2(C(N)=O)CCCCC2)c(C)n1-c1cccc(Br)c1	919852571	VVBIDOXTZPVBDI-UHFFFAOYSA-N	418.335	3.775	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(NC(=O)C4CC4)cc3)CC2)cc1	1318218649	PNQXVFBRPDZXRQ-UHFFFAOYSA-N	422.529	3.512	10	20	HHCD	
CCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1ccc(OC)c(OC)c1	1319687197	CQFJUANCVORHQE-UHFFFAOYSA-N	401.526	3.617	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(F)c3F)C2=O)cn1	1320815075	USCQXYOIRZMTGJ-GDNBJRDFSA-N	421.494	3.848	10	20	HHCD	
C[C@H]1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788427321	XCEISYNJXQPZAH-KBXCAEBGSA-N	409.486	3.677	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=S)Nc3c(C)cccc3C)CC2)cc1	4791717	AMGXBVFXJSQSFQ-UHFFFAOYSA-N	412.603	3.811	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1	110462767	ZHCNLUVDZOFYMN-UHFFFAOYSA-N	415.342	3.949	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(c2ccc(Cl)cc2)CC1	303009362	OKKFFIOSOBVVFJ-UHFFFAOYSA-N	402.897	3.788	10	20	HHCD	
CCOc1ccc(NC(=O)CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1	303316461	GVWWMDVEHRHAGH-UHFFFAOYSA-N	416.497	3.509	10	20	HHCD	
COc1ccc(OC)c2c1CN(C(=O)c1cc(C)n(-c3ccc(F)cc3)c1C)C[C@H]2O	302993555	WTGJOCDDIRUVNE-HXUWFJFHSA-N	424.472	3.940	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)c(C)n1-c1ccc(F)cc1	72054146	IWNQRUDVDOLXAS-IBGZPJMESA-N	403.523	3.521	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(c4nncn4C4CC4)CC3)ccc21	600251252	YDUKXRRIJDKWLI-UHFFFAOYSA-N	421.545	3.851	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1[N+](=O)[O-]	809723940	RYELNGBBEUHBFG-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1O	807841097	RLMCKXSJHMFGOO-SNVBAGLBSA-N	420.289	3.564	10	20	HHCD	
CCN(CC)CCOC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1	472239356	LOQUCDRTMFQMDW-UHFFFAOYSA-N	400.567	3.519	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1c1ccccc1	800656803	FDAXSEYYDZZMQW-GMIBQGTOSA-N	424.497	3.630	10	20	HHCD	
CSCCc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807512731	GWJGMERGGPOGIV-UHFFFAOYSA-N	413.326	3.859	10	20	HHCD	
CCc1nc2cc(CNCc3ccc(N4CCN(C)CC4)cc3)ccc2n1C1CC1	801729803	AUNRCARSIBPJCV-UHFFFAOYSA-N	403.574	3.975	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1O	808707649	UOTJXQFOBJVLPX-MRXNPFEDSA-N	422.978	3.999	10	20	HHCD	
O=C(NCCCSc1nccs1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1	806958823	NSYRZTIEJCTDJV-LSDHHAIUSA-N	409.602	3.836	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)ccc21	806685227	QHVBTNUTODYNBJ-UHFFFAOYSA-N	420.962	3.591	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@](C)(O)C(F)(F)F)cc2Cl)C1	800719896	PFFCTEAAYKPPLG-SJCJKPOMSA-N	407.864	3.689	10	20	HHCD	
O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1	813730137	UHWPPKBWZXVTEU-SIKDUDHDSA-N	402.491	3.551	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc(N(C)C)cc1	812902841	MWXMXINYWYQYBA-DLBZAZTESA-N	409.534	3.794	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCOC1	812387501	OANCSTREAVLAEE-QGZVFWFLSA-N	417.513	3.815	10	20	HHCD	
CCN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1CCOC(C)(C)C1	810044102	XRGATKAUUSRFCE-KRWDZBQOSA-N	420.509	3.680	10	20	HHCD	
CC(C)Oc1ccc(N(C)C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)cc1	816591792	OKJXTKWHBSMMBG-SFHVURJKSA-N	419.566	3.673	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cn(C)cn2)c(C)n1-c1cccc(Br)c1	811226751	VBQYJVQRYITGAU-UHFFFAOYSA-N	416.275	3.630	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)SC2=S)c1	814276791	HXDFCWSYPHIXQJ-CPNJWEJPSA-N	412.536	3.938	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(C(=O)OC)ccc3Cl)c2)CC1	810684887	AVRDSSNPGTVMGB-UHFFFAOYSA-N	401.894	3.521	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H](c1ccccc1)[C@@H]1CCCO1	726707302	UREXJORBISDOKM-ZEQRLZLVSA-N	423.557	3.615	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)cc1Cl	729854173	WOZAWJZLCBLQAL-UHFFFAOYSA-N	415.342	3.863	10	20	HHCD	
CN(CCC1CCCCC1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	726103867	VZMDLHPJDWORER-FQEVSTJZSA-N	400.567	3.500	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(OCC(F)(F)F)cc1	727246800	QGHFGHNSRCVADI-UHFFFAOYSA-N	415.418	3.947	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	730125875	QBENQQWZEMXFBC-QGZVFWFLSA-N	416.566	3.515	10	20	HHCD	
O=C(NCCCC(=O)N(Cc1ccco1)Cc1ccccc1O)NC1CCCCC1	735930455	KYATXLHCZNDYRH-UHFFFAOYSA-N	413.518	3.926	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCCN3CCCCCC3=O)cc2)CC1	731050049	ACLODEZVAARELY-UHFFFAOYSA-N	400.567	3.515	10	20	HHCD	
Cc1ccc(CN(CC(=O)N(C)c2nccs2)c2ccc3c(c2)OCCO3)s1	732198850	ABEGIJLXEGQMNW-UHFFFAOYSA-N	415.540	3.954	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1F	731363505	HVZPMVDXNPZGQS-UHFFFAOYSA-N	422.545	3.824	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1F	731405406	ZWFJXSIKRLLWNJ-KRWDZBQOSA-N	422.545	3.728	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1	734687031	CTAMGRJFSRQENL-IAGOWNOFSA-N	404.555	3.600	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccccc3)c3ccc(F)cc3)nc12	731846563	JIHIGSFYJHPEQY-NRFANRHFSA-N	420.444	3.630	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1Cc2ccccc2C1	730025221	WKAPKUFOAZRZFR-UHFFFAOYSA-N	405.420	3.767	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)c1	734065191	QZPAVFINAFEQOI-LLVKDONJSA-N	409.280	3.732	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1	918310491	NECOAYQBPNICDQ-UHFFFAOYSA-N	423.435	3.870	10	20	HHCD	
COc1cccc(CNC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)c1O	745771292	KBHDJINCJFRIBP-UHFFFAOYSA-N	412.486	3.831	10	20	HHCD	
C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	744280246	HQPDFRLMLZJMGF-ZACQAIPSSA-N	400.498	3.737	10	20	HHCD	
Cc1cc(C)cc(C[C@@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	743670593	SFYIXYKXNLSZTO-HXUWFJFHSA-N	409.574	3.943	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNS(=O)(=O)/C=C\c3ccc(F)cc3)cc2F)C[C@@H](C)O1	747248228	LTXGOMQEUIYVAS-SBKIPFDTSA-N	422.497	3.669	10	20	HHCD	
CCOCc1cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)ccc1OC	747900488	GSKVJBRPSILYGW-PDGQHHTCSA-N	406.573	3.527	10	20	HHCD	
Cc1nc(-c2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cc2)cs1	741097282	NLKULGRJPNBRMN-UHFFFAOYSA-N	418.522	3.750	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCC3(c4ccccc4OC)CC3)CC2)cc1	749427677	ZXNBREKITAGKSP-UHFFFAOYSA-N	409.530	3.657	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@]12CCCc1ccccc12	745721130	KMQYGHFCGNHRNB-DHLKQENFSA-N	406.526	3.548	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1F	759342476	IAJHMRSDUDZCQW-IBGZPJMESA-N	423.435	3.776	10	20	HHCD	
C[C@@H](NCCc1cnccn1)c1cc(Br)cc(Br)c1O	756785996	HUTRILTZZNINIU-SECBINFHSA-N	401.102	3.601	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)cc1	751534595	ZXESBILGVXKFKF-UHFFFAOYSA-N	412.467	3.768	10	20	HHCD	
CCN(CC(=O)c1cc(C)n(CCOC)c1C)Cc1cc(Br)ccc1O	754664916	MKXLBZMGSFYGBS-UHFFFAOYSA-N	423.351	3.924	10	20	HHCD	
CC(=O)N[C@@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(C)cc1	751302309	MJKXGUSYOLRRBH-FQEVSTJZSA-N	413.481	3.911	10	20	HHCD	
CCC1(C)CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1	751060013	FMFGQLIDOTUSHL-UHFFFAOYSA-N	408.545	3.907	10	20	HHCD	
CC(C)n1cc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1	762537635	IOQLITLCMQLLPF-AWEZNQCLSA-N	402.454	3.679	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1c(F)cccc1Br	765771246	WYFXSYNHNMKLPY-UHFFFAOYSA-N	403.045	3.986	10	20	HHCD	
O=C(Cc1c[nH]c2cc(F)ccc12)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768913208	WQYGMOYMQSWKJS-GOSISDBHSA-N	415.896	3.989	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(Br)s1	760322875	ZKTJPRXUZVEVHF-UHFFFAOYSA-N	409.349	3.928	10	20	HHCD	
C[C@@H](c1nccs1)N1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1	767481876	JKYNFUFWGRSKIA-INIZCTEOSA-N	423.538	3.664	10	20	HHCD	
COc1ccccc1OC[C@H](C)CNC(=O)NCc1cccc(Br)c1O	764798550	FKHLKDWZYAZQGZ-CYBMUJFWSA-N	423.307	3.678	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1	765868615	QRSDDDLZTNMDMX-WMZHIEFXSA-N	408.590	3.691	10	20	HHCD	
Nc1nc(CN2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)nc2ccccc12	768216993	LAVJBCZBHIFEJE-UHFFFAOYSA-N	418.328	3.542	10	20	HHCD	
COC(=O)c1ccc2[nH]c3c(c2c1)CN(Cc1cccc(Br)c1O)CC3	768549694	XNQJOWUUAXHGQZ-UHFFFAOYSA-N	415.287	3.981	10	20	HHCD	
COc1cccc(CNC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1O	1117678043	ZQCYXRCAHYGRKO-SEJPIABJSA-N	409.530	3.786	10	20	HHCD	
Cc1nn(CC(F)(F)F)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	763318858	ZOQBBWQRTWEZKM-SFHVURJKSA-N	424.467	3.641	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ncccc2C(F)(F)F)SC1=S	765509520	IMGZYCDJGTXQEI-MDWZMJQESA-N	403.495	3.889	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1O	779050958	SACZAEZACQLNDY-KBXCAEBGSA-N	418.335	3.700	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccnc1Oc1ccccc1)c1ccc(N(C)C)cc1	773858191	PLBLVCCMMJPZKC-MRXNPFEDSA-N	404.470	3.756	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N[C@@H](C)c2ccc(Br)cc2)c1	775370778	IEQUBBCZYYYRCP-QWHCGFSZSA-N	407.308	3.691	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(N(C)C)cc1	773617665	NLKMUKMDOWFZHV-BFUOFWGJSA-N	418.900	3.711	10	20	HHCD	
COC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1	773506426	PGCRHNKKDUNARY-YCRPNKLZSA-N	419.472	3.549	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(SC)ccc2C)cc1F	776040527	HCEZZCBQISJPHY-UHFFFAOYSA-N	403.523	3.957	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CCCC2)cc1	771962319	HFJOZQINJDGKRO-IEBWSBKVSA-N	416.566	3.874	10	20	HHCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccncc2)cc1	779519886	FOOADRJXXUENRG-YHTRPRNISA-N	403.438	3.636	10	20	HHCD	
CC(=O)Nc1cccc(OCCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	772951642	UZBNRYYAKAYDSG-INIZCTEOSA-N	417.937	3.865	10	20	HHCD	
CCOCc1cc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ccc1OC	786842387	XYMQVUZGGXJQEY-OAQYLSRUSA-N	418.484	3.791	10	20	HHCD	
CN(Cc1cc(Br)cc(Br)c1O)CC1(N(C)C)CCC1	783744375	SCZRZTAKKQAULX-UHFFFAOYSA-N	406.162	3.833	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)Cc3ccc(OC)c(OC)c3)CC2)cc1	781141466	IMQOVEYWBPLZQQ-GOSISDBHSA-N	412.530	3.630	10	20	HHCD	
CCOc1cc(CN2CCCc3cc(OC)ccc32)ccc1O[C@@H](C)C(=O)N(C)C	780766679	KLDAKXUCXCTHHR-KRWDZBQOSA-N	412.530	3.902	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccc3c2OCCC3=O)C2CCCCC2)cc1	784059217	GYPLKGBJZLJWRA-UHFFFAOYSA-N	407.470	3.538	10	20	HHCD	
Cc1cc(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n(C)n1	793475295	AJJMFAZRAPBHFQ-UHFFFAOYSA-N	401.308	3.829	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1C[C@H]1c1cccc(Cl)c1	798083287	AIGOCVPPKNTADP-AZUAARDMSA-N	417.912	3.796	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)Cn1c(=O)oc2cc(F)c(Br)cc21	792704666	FFGLWKBNNTYYIT-UHFFFAOYSA-N	408.271	3.652	10	20	HHCD	
CC[C@H](C)n1ncc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1C	792481643	LBJGCWXOSDZMLK-INIZCTEOSA-N	416.545	3.765	10	20	HHCD	
CC(=O)NCCN(Cc1ccc(Br)s1)Cc1cc(C)c(C)cc1O	799958580	CXXUXVOXQFTARP-UHFFFAOYSA-N	411.365	3.971	10	20	HHCD	
CC(C)n1ncc2c1[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CCC2	1320383079	CQBXHPBTUBVGFY-WOJBJXKFSA-N	412.534	3.938	10	20	HHCD	
CCN(c1ccc(NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)cc1)C(C)C	15571686	PQLXPWWIUFYJHZ-UHFFFAOYSA-N	424.589	3.828	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)oc1C	17699749	RVEJWWVSDUFLGH-YBEGLDIGSA-N	402.497	3.846	10	20	HHCD	
Cc1c(Br)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1[N+](=O)[O-]	510373221	DQHGAAARSPQQPS-UHFFFAOYSA-N	420.263	3.771	10	20	HHCD	
Cc1cccc(Cn2nccc2NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)c1	514496728	WBGCJANARHMFAM-UHFFFAOYSA-N	416.506	3.708	10	20	HHCD	
COC(=O)Nc1ccc(CNC(=O)CN(c2ccc(OC)c(F)c2)C(C)C)cc1	725816287	OKPNZONASBSNEN-UHFFFAOYSA-N	403.454	3.544	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCn3c(C)nc4ccccc43)CC2)cc1	726610983	OBWVQBFTCYVHFE-UHFFFAOYSA-N	421.545	3.712	10	20	HHCD	
Cc1ccc(-n2cc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)nn2)cc1	728837694	WTDAQXPUGYKATQ-UHFFFAOYSA-N	417.435	3.846	10	20	HHCD	
CC(C)OC1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	730580504	TWMGSSRPYNAWHI-IAGOWNOFSA-N	407.530	3.538	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4c(F)cccc4F)n3)ccc2N1	731059050	OUOAVNFWSFPFCH-UHFFFAOYSA-N	421.450	3.774	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)cc1F	731408428	KMQHJBMAVSUBHU-OAHLLOKOSA-N	401.482	3.634	10	20	HHCD	
CCC(CC)N1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1=O	731579049	UXTIXILPZVZPSJ-INIZCTEOSA-N	413.484	3.681	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccc(OC(F)F)cc1	733838184	XDSOEZMLMKRYLN-YVWKXTFCSA-N	419.424	3.989	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(CCc1cccc(F)c1)C1CC1	733847402	DUEQPTABFVKKBT-UHFFFAOYSA-N	415.484	3.718	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1	734471915	WLRHBRCSFMTMSJ-GOSISDBHSA-N	412.509	3.760	10	20	HHCD	
COc1ccc(N(CC(=O)NCCc2ccc(F)cc2)Cc2ccco2)cc1F	739930219	KDUQIICLBONGNJ-UHFFFAOYSA-N	400.425	3.932	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C[C@@H]4CCCO4)CC3)c2C)cc1F	740943491	VYJAHZIBGPXTIG-NRFANRHFSA-N	413.537	3.521	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)C2CC2)cc1	742043538	BDCVPHJWOWFOFR-NRFANRHFSA-N	411.933	3.950	10	20	HHCD	
CC(C)C(=O)Nc1nc(CC(=O)NCc2ccc(N3CCCCC3)cc2)cs1	742468440	DZQUXDIGWHGABM-UHFFFAOYSA-N	400.548	3.587	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(C(=O)NCC(F)(F)F)cc1	743092614	YFPHFPHIKFGJQO-UHFFFAOYSA-N	421.419	3.885	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@]34CCc3ccccc34)cc2F)C[C@@H](C)O1	743315494	WZJXAPNOIPUZOU-IESMUHINSA-N	408.517	3.960	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1	743917043	CQQCRDIMAGJBFG-UHFFFAOYSA-N	423.488	3.778	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(Br)c1	743957954	FPRAFJPMXFLIAW-UHFFFAOYSA-N	417.303	3.597	10	20	HHCD	
Cc1csc([C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)n1	745863628	HXNOTZKMSWGZSH-HKUYNNGSSA-N	401.532	3.999	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1	746158605	BXDBCNJFQJLVKP-UHFFFAOYSA-N	412.458	3.547	10	20	HHCD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	747410015	RHXSYNNURKAIRD-JTUHZDRVSA-N	418.484	3.928	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCCc3nnc(S)n3C3CC3)c2C)c1	749385504	IDRYKVHOOQULEG-UHFFFAOYSA-N	409.559	3.899	10	20	HHCD	
CNC(=O)c1cc(Oc2ccccc2NC(=O)N(C)Cc2ccccc2O)ccn1	750611322	GDRKLNSOLJPLHK-UHFFFAOYSA-N	406.442	3.603	10	20	HHCD	
O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	751136716	LQFQZROJIPBNAI-UHFFFAOYSA-N	404.488	3.965	10	20	HHCD	
CCOc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(OCC)c1OCC	753640968	WQAWDVRTEDJGGK-CQSZACIVSA-N	403.475	3.655	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)cc1F	753738405	JBOFWPQHPWWCET-UHFFFAOYSA-N	411.521	3.783	10	20	HHCD	
CC(=O)Nc1cccc(OCCN[C@@H](C)c2cc(Br)c(F)cc2O)c1	756682129	NEBJDAZQEHCKII-NSHDSACASA-N	411.271	3.982	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2cccc(CN3CCSCC3)c2)cc1Cl	757856664	MEQVDQIXBHJOLI-UHFFFAOYSA-N	419.978	3.972	10	20	HHCD	
C[C@H](NC[C@H](CO)Cc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O	760033429	JPYVWMAMVLWTDZ-GXTWGEPZSA-N	409.280	3.565	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCC([C@@H](O)c3nccn3C)CC2)c1C	760878766	LRNMPSZXWBGDFP-XMMPIXPASA-N	420.557	3.764	10	20	HHCD	
COc1ccc([C@H](C2CC2)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	760971895	AQPVHORELXJWPZ-FQEVSTJZSA-N	400.862	3.970	10	20	HHCD	
Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCc1ccc(O)c(O)c1	762274593	JGIJOPXYNOPOTE-UHFFFAOYSA-N	417.259	3.796	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	764853438	DIUJCGMMHFHTOF-FZKQIMNGSA-N	404.942	3.660	10	20	HHCD	
C[C@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1	764881408	REMRGQOQZFLMTJ-ORAYPTAESA-N	409.313	3.741	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H](O)COc3cccc(C(F)(F)F)c3)CC2)cc1	765321007	ATMNXDHZFZZPPY-IBGZPJMESA-N	424.463	3.712	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccoc2Cl)NC(=O)OC(C)(C)C)cc1	765365652	CICYCBXPBVQTJS-INIZCTEOSA-N	407.898	3.995	10	20	HHCD	
CCN(CC(=O)Nc1nnc(C(C)C)s1)Cc1cc(Br)ccc1O	766906461	KGOSSFPKWHZWQO-UHFFFAOYSA-N	413.341	3.590	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2SC(F)(F)F)c1	769747417	DMUHNVCLGGYOKV-UHFFFAOYSA-N	406.407	3.628	10	20	HHCD	
CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772117801	MMPDYCIBRFKRRE-IBGZPJMESA-N	411.531	3.771	10	20	HHCD	
C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1nc(-c2ccccc2)cs1	772773785	DZGQQTNIARVDDY-CHOZFAJLSA-N	410.451	3.805	10	20	HHCD	
Cc1ccc([C@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	774833095	VCDXUVDDWXTVFQ-OTWHNJEPSA-N	413.537	3.715	10	20	HHCD	
C[C@@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(N2CCOCC2)cc1	775258445	AXCOOUSLDCNFJL-OAHLLOKOSA-N	412.515	3.529	10	20	HHCD	
Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1	775258842	KUHVTOLKMZHNKA-FQEVSTJZSA-N	422.573	3.721	10	20	HHCD	
CCOc1cccc([C@H]2C[C@@H]2NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	775774364	PKQCBOQOSFWECO-PKTZIBPZSA-N	409.530	3.619	10	20	HHCD	
CC(=O)c1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c(F)c1	776894083	QTCRBILEUPPMLY-UHFFFAOYSA-N	419.456	3.773	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnc(C(F)(F)F)nc2)cc1	777489752	OMJSWSGYVHTFFW-UHFFFAOYSA-N	404.392	3.997	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1F	782093680	UNGVUFGXUSKXLR-ZIAGYGMSSA-N	405.445	3.909	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)CCc3n[nH]c4ccccc34)CC2)cc1	782758530	URTOEXORGHMUGG-FQEVSTJZSA-N	421.589	3.695	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cnc21	784060535	FKDUAGUZZLDSFX-UHFFFAOYSA-N	420.517	3.899	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nn1[C@H](C)C1CC1	784703008	NHMHCRSEBYTJBJ-GOSISDBHSA-N	423.561	3.654	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2nc(-c3cccc(F)c3)no2)C2CC2)cc1	787407982	MXESIZMGAOXPKW-UHFFFAOYSA-N	409.465	3.816	10	20	HHCD	
CCc1cncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	789960456	CZBGIAQNTPGBHA-FQEVSTJZSA-N	412.534	3.706	10	20	HHCD	
CCOC(=O)c1csc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	790502251	LMTROYMPCCSDNE-KBXCAEBGSA-N	416.547	3.994	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccccc2Sc2ccccc2)c(O)c1	797389660	RZJFKVYLEAOKOK-UHFFFAOYSA-N	408.479	3.807	10	20	HHCD	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	798969906	VNWTUJPTOZRFQE-UHFFFAOYSA-N	420.557	3.657	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cccc4nsnc34)n2)s1	799184591	SGBKAPQJSHVFQI-UHFFFAOYSA-N	409.543	3.689	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3c[nH]nc3-c3cnn(C)c3)cc2Cl)C1	800570002	FLRGATVHQKSPMX-CQSZACIVSA-N	412.925	3.630	10	20	HHCD	
O=S(=O)(Cc1ccccc1Br)NCCCSc1nccs1	804999346	FQSODADUZUMSDW-UHFFFAOYSA-N	407.380	3.507	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)Cc1cccs1	807627371	PSJMQCJMFDWZSS-KRWDZBQOSA-N	401.576	3.546	10	20	HHCD	
COc1cc(O)c(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1OC	808232631	TWSGETFMQHDPAK-LJQANCHMSA-N	413.392	3.882	10	20	HHCD	
CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1cccs1	812360247	WMBIFLJQBYJCQM-UHFFFAOYSA-N	413.547	3.648	10	20	HHCD	
Cc1nn(C)c2cc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)ccc12	812982474	MLZKRASWVXEQLY-UHFFFAOYSA-N	420.513	3.887	10	20	HHCD	
O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1CCc1ccccc1	814272694	SYKZCWZTLZXCOO-CAPFRKAQSA-N	410.564	3.967	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)CCCC2=O	815834943	GBBBXBCJCMUJLA-IBGZPJMESA-N	412.917	3.959	10	20	HHCD	
Cc1cc(C(=O)COc2cccc[n+]2[O-])c(C)n1-c1ccc(OC(F)(F)F)cc1	836837245	LNXCMEHKSYCCSW-UHFFFAOYSA-N	406.360	3.888	10	20	HHCD	
O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)NC(=O)c1cccs1	916434144	NLZQZLPKIXEIAO-UHFFFAOYSA-N	409.423	3.983	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c(F)c1	918196580	XEPNTYKQNOQDST-UHFFFAOYSA-N	409.464	3.918	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C2(OC)CCN(C(=O)OC(C)(C)C)CC2)cc1	918625296	XKYFWCUKKFOFBD-UHFFFAOYSA-N	419.566	3.565	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3ccc(OC[C@H]4CCCO4)cc3)SC2=S)CC1	920471822	FPFRKDBLTSRRNW-UIMCMNAESA-N	418.584	3.540	10	20	HHCD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	920873373	YWNSTNQQIQWARO-MSOLQXFVSA-N	424.545	3.934	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCSc1ccc(Cl)cc1	1254760979	IKOWZVXUCBKGDR-INIZCTEOSA-N	423.918	3.524	10	20	HHCD	
Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)cc1	1799718046	QVBDNCJIKKNFPZ-BJWYYQGGSA-N	414.889	3.625	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1-c1ccccc1	4399928	MUBJQMKLLVEASS-UHFFFAOYSA-N	402.410	3.595	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(CSC)cc3)CC2)cc1	24088646	KIUYWWANYRAHCQ-UHFFFAOYSA-N	413.587	3.500	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCCN(CC(F)(F)F)CC3)cc2)CC1	303422332	YVHVABDTEDHFBT-UHFFFAOYSA-N	412.500	3.703	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccn(Cc4ccncc4)n3)ccc21	483639631	ZDCFPEQFCKTGTQ-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
CN(C(=O)c1ccoc1CC(N)=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	512913193	NHOHPAXRLFGKCG-UHFFFAOYSA-N	419.359	3.790	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC3CCN(CC(F)F)CC3)ccc21	552374590	GULZXLVQYWUGIE-UHFFFAOYSA-N	407.505	3.611	10	20	HHCD	
COc1cccnc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	726531597	MNCHUORNNALQPK-KAMYIIQDSA-N	419.553	3.772	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C/c3cccc(OC(F)(F)F)c3)SC2=S)CC1	728083320	MIUDNTPAXSPWSV-UVTDQMKNSA-N	402.463	3.881	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)c(C)n1-c1ccccn1	728556382	SXXSESIJVAEXQF-QFIPXVFZSA-N	402.542	3.784	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)NC3CCCCC3)ccc21	728637632	OGAHLNCRSIYWPN-QGZVFWFLSA-N	400.519	3.899	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)OC[C@@H]2CCCO2)cc1	732114788	LKNHAPFHFFEXLG-MBSDFSHPSA-N	412.530	3.879	10	20	HHCD	
CCN(C(=O)/C=C\c1cnc(C)s1)c1ccc(S(=O)(=O)C(F)(F)F)cc1	732734659	ARODEIUERYJNAA-TWGQIWQCSA-N	404.435	3.811	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	734402945	TXWGUTPDDUGSGT-UHFFFAOYSA-N	411.380	3.840	10	20	HHCD	
CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)NCc2ccccc2O)c1	735578365	ZVRBZHXSPINACY-UHFFFAOYSA-N	417.531	3.667	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c1O	737286387	YHIJKPJHZONURC-INIZCTEOSA-N	420.465	3.796	10	20	HHCD	
CC[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N1CCc2ccccc2C1	740904808	OUPSATBFGIFEAE-QHCPKHFHSA-N	404.558	3.699	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@H]3CCCC[C@H]3S(C)(=O)=O)c2C)c1	742183286	DFJMHQQNPGEGHF-LEWJYISDSA-N	402.560	3.830	10	20	HHCD	
CO[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	743657317	QBLJNVLFKKCIFH-NRFANRHFSA-N	417.937	3.706	10	20	HHCD	
Cc1nc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)sc1C	743711545	QGJQWCWQBNOLPJ-AWEZNQCLSA-N	410.490	3.830	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCC1(O)CCCCC1	743756738	QPYSOMBMGGYASA-NTCAYCPXSA-N	424.613	3.541	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCCNC(=O)c1ccccc1	743807512	CHKZKTTYUHQICJ-UHFFFAOYSA-N	419.319	3.713	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccccc1OC	745301056	ZVXLGIBEKMVEGT-UHFFFAOYSA-N	407.308	3.938	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3cccc(-n4cccn4)c3)CC2)cc1	745931711	JEDHUJNRENVEOY-IBGZPJMESA-N	419.529	3.864	10	20	HHCD	
COCCN(Cc1nc(O)c2ccc(Cl)cc2n1)c1ccc(OC)c(OC)c1	751481796	JWZQZTXMMGGZTP-UHFFFAOYSA-N	403.866	3.659	10	20	HHCD	
CCN(CCS(C)(=O)=O)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	753730599	NVGXFTHEAGUOJN-UHFFFAOYSA-N	402.520	3.675	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccccc3-n3nc(C)cc3C)CC2)cc1F	753878852	MCDSPOJWFXBZES-UHFFFAOYSA-N	423.492	3.991	10	20	HHCD	
C[C@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1cc(Cl)ccc1O	756548701	CHHRDTQZWBCAEZ-YJBOKZPZSA-N	401.938	3.594	10	20	HHCD	
C[C@H](NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756688053	XRXGDPSEAOZNIR-IFXJQAMLSA-N	405.882	3.678	10	20	HHCD	
COc1ccc(N[C@@H](C)c2cc(Br)ccc2O)cc1NS(C)(=O)=O	756869792	YZEMPZSYJPQSOC-JTQLQIEISA-N	415.309	3.708	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccn(-c3ccccc3)n2)cc1	756919824	JZQSWGSMNUIHKD-XMMPIXPASA-N	418.541	3.689	10	20	HHCD	
CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1	757681283	BKOJPHZWODHMPZ-MOPGFXCFSA-N	422.614	3.783	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cnn(CCO[C@@H]3CCCCO3)c2C)cc1	758508355	XCZAGWXGMPWGAD-JOCHJYFZSA-N	414.550	3.511	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	758965076	RHJYOLBWPYSGEG-QGZVFWFLSA-N	415.509	3.553	10	20	HHCD	
O=C(NCCC[C@H]1CCCCO1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	760699527	DDHRYMOLAHCCPW-GOSISDBHSA-N	411.493	3.905	10	20	HHCD	
OC[C@H](CNCc1cc(Cl)cc(F)c1O)Cc1ccccc1Br	763419534	DDAJLHADPMFQMK-NSHDSACASA-N	402.691	3.888	10	20	HHCD	
Cc1c([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1ccc(F)cc1	765332346	WPYGXTDBSBFLCM-DLBZAZTESA-N	409.509	3.963	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(C)c(Br)c2)SC1=S	767879512	UZSNSRPPAZFLCH-UKTHLTGXSA-N	414.346	3.912	10	20	HHCD	
Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cc(Br)ccc3O)C2)nc1	768539977	YRQPESORUBANTG-AWEZNQCLSA-N	404.308	3.709	10	20	HHCD	
CSc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cn1	769754250	SBNHDRLWWWQMMC-UHFFFAOYSA-N	421.525	3.624	10	20	HHCD	
CC(C)(C)[C@H]1CCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769767236	DPJBZRQBAJBNDM-MRXNPFEDSA-N	408.545	3.905	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccncc1Br	771065561	NLOCSLPGOHMBRM-CQSZACIVSA-N	424.726	3.598	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ccccc1I	771565120	NVHBQKGAORKTAS-UHFFFAOYSA-N	409.267	3.978	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC2CCN(Cc3ccc(Cl)cc3)CC2)c1O	774958631	ZFDPZAMHZHMIAC-UHFFFAOYSA-N	405.882	3.717	10	20	HHCD	
C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)c1ccc(N(C)C)cc1	775403463	JDWJMOHUMFTBAL-KRWDZBQOSA-N	423.557	3.992	10	20	HHCD	
CC[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OC)cc1	775765409	OAQASHPWLNDAQA-HXUWFJFHSA-N	400.494	3.605	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1	778925093	HHSLIGMJXLOEMN-AWEZNQCLSA-N	423.296	3.573	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1	779542007	LMMRWSFIIUHAKC-YWEYNIOJSA-N	419.359	3.893	10	20	HHCD	
CCN(C[C@H](O)C(F)(F)F)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	779543858	IZGGKHSMJKZHMR-SFHVURJKSA-N	401.473	3.910	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)ccc21	780360631	YXBDPZFCCBXSFK-LJQANCHMSA-N	416.566	3.658	10	20	HHCD	
CC(C)CNC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Cl	789836730	RAMKCCCFDAJFPN-CYBMUJFWSA-N	419.909	3.890	10	20	HHCD	
Cc1nc(S)sc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	790159249	HSYLNYVSVHUTIX-QGZVFWFLSA-N	405.589	3.557	10	20	HHCD	
Cc1c(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cnn1C	793354735	ZVVGBAGHNALCFX-UHFFFAOYSA-N	400.485	3.512	10	20	HHCD	
CN(C)S(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)cc(Cl)c1O)C2	793612712	JTRROQWTYSPQET-UHFFFAOYSA-N	415.342	3.508	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H](C)c3ccc(F)cc3)cc2)CC1	793937981	MKLFZXXSZSVGQA-GOSISDBHSA-N	411.521	3.598	10	20	HHCD	
CC[C@H](NC1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccc(F)cc1O	796736605	ODKWXNAPIMBHBH-FQEVSTJZSA-N	400.494	3.814	10	20	HHCD	
CN(C)c1ccc(CN2CCC(O)(c3scnc3Br)CC2)cc1F	797604467	SRPXKIIUVRISLY-UHFFFAOYSA-N	414.344	3.594	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1csc([N+](=O)[O-])c1	798249238	ZXKSPWGMEKRVMR-UHFFFAOYSA-N	405.476	3.659	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1Br	798416479	OHLMABDUVGFCKJ-JTQLQIEISA-N	423.223	3.663	10	20	HHCD	
Cn1cc(Oc2ccccc2C(=O)NCc2cccc(Br)c2O)cn1	801253205	RQMVTKZFVAWPMQ-UHFFFAOYSA-N	402.248	3.611	10	20	HHCD	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	803305051	JDSYKOWPDFYMMD-CVDCTZTESA-N	423.557	3.556	10	20	HHCD	
Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)CC2	805058587	TXVVPYGQGBHBMB-NRFANRHFSA-N	404.466	3.626	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc21	806634776	LEANZRSIWCJNCV-AREMUKBSSA-N	418.585	3.877	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1	806831639	WGQWQGBNFICRIE-UHFFFAOYSA-N	404.442	3.555	10	20	HHCD	
CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	807291201	UPBOTUJPEFLJCM-LJQANCHMSA-N	405.542	3.550	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H]3CCN(c4ccccc4Cl)C3)CC2)cc1	810318009	LSWAUZKPVQYRSX-QGZVFWFLSA-N	413.949	3.960	10	20	HHCD	
Cc1occc1-c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1	810319165	CZECAWCTIQHXJP-UHFFFAOYSA-N	403.441	3.873	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)[C@H]3OCCc4sccc43)CC2)cc1	814108981	ZTGLZTZHDHGOSS-QVKFZJNVSA-N	400.544	3.792	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C/c1cnc(C)s1	819518827	GYOMPIJHMIUMNN-FNORWQNLSA-N	401.532	3.853	10	20	HHCD	
C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)Cc1ccc(N2CCOCC2)cc1	857758518	JBCBPJPATIMPIC-WIYYLYMNSA-N	413.587	3.769	10	20	HHCD	
C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CN(C)Cc1ccc(N3CCCCC3)cc1)C2=O	887322322	LPQUXMUZTGYRDP-HROJSSOGSA-N	412.578	3.813	10	20	HHCD	
COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C(F)(F)F)c1	915778148	BKJJHGWIKGJOMM-UHFFFAOYSA-N	421.419	3.569	10	20	HHCD	
COCCOc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1	916691548	OPDOBRUIHKRZMA-UHFFFAOYSA-N	413.518	3.521	10	20	HHCD	
Cc1nc2ccc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2s1	918027143	YTXAWZAOVLLJFA-MRXNPFEDSA-N	423.542	3.628	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(N4CCCCC4)nc3)CC2)cc1	918036254	NZIJPBQZOJTXMZ-UHFFFAOYSA-N	409.534	3.825	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	918439190	UPCGWPUSJHRPSV-UHFFFAOYSA-N	424.353	3.802	10	20	HHCD	
CNC(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	919652836	QGRATMAGRYVRFK-UHFFFAOYSA-N	406.486	3.940	10	20	HHCD	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1C(=O)O	919973460	VIMJMYRBQSXSIM-UHFFFAOYSA-N	403.500	3.922	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1	1323328717	UKXFECXCNFCDGB-UHFFFAOYSA-N	404.319	3.737	10	20	HHCD	
COCCC(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1	1787831604	ZQDZSWPXJWREMX-UHFFFAOYSA-N	418.877	3.535	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c(O)c1O	110530959	IDTAVAUEQCOOAN-UHFFFAOYSA-N	415.829	3.793	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)c2c(c1)OCO2	195619929	HXRWVBIJWRKGLF-UHFFFAOYSA-N	403.276	3.708	10	20	HHCD	
CCc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)CC2=O)cc1	252019004	XHGOVJKCDBBZFY-IRLDBZIGSA-N	422.525	3.515	10	20	HHCD	
O=C1/C(=C/c2cc(Cl)c3c(c2)OCO3)SC(=S)N1CCc1ccccn1	726196740	ALKAVMHLIBDRSJ-DHDCSXOGSA-N	404.900	3.908	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1OC	726627621	PDFFVNSPTOYWHY-GZTJUZNOSA-N	414.508	3.599	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1F	726629236	KMFSYFNAIOALMO-CHHVJCJISA-N	406.416	3.854	10	20	HHCD	
COCCN(CCc1ccccc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	726712807	DYARIMQWYRVSOE-UHFFFAOYSA-N	411.546	3.565	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c(Cl)nc3sccn23)cc1	728582425	KDMKKSFZOHOSBV-UHFFFAOYSA-N	412.968	3.716	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)c1	728947240	RRRXCXYHAJDFGY-OAHLLOKOSA-N	406.486	3.636	10	20	HHCD	
COC(=O)C1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1	730131466	NGLULMYGUDLFTI-UHFFFAOYSA-N	413.518	3.789	10	20	HHCD	
COc1ccc(CCN2C(=O)c3ccccc3N(C)[C@H]2c2ccc(O)c(O)c2)cc1	731040483	VJLZOBDHUFLJDM-HSZRJFAPSA-N	404.466	3.940	10	20	HHCD	
CN(Cc1ccccc1Br)C(=O)CCNCc1c(O)cccc1Cl	733328079	MKAFQPWNOVQJPH-UHFFFAOYSA-N	411.727	3.946	10	20	HHCD	
COc1ccc(Br)c(CNC(=O)NCc2ccc(N(C)C)cc2C)c1	734520804	NKDYSDUACWAAIE-UHFFFAOYSA-N	406.324	3.832	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SCCS(=O)(=O)CC	735619199	XOKYJXAEWLMQGB-UHFFFAOYSA-N	403.367	3.859	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(-c2ccncc2)no1	741084833	TXILMLMRJDVDKZ-FQEVSTJZSA-N	418.501	3.704	10	20	HHCD	
CCOC(=O)N1CCC(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	742417051	QVSKKLMVEUILJR-UHFFFAOYSA-N	401.551	3.940	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O	742468870	QYXSXYIMTWBOOU-OAQYLSRUSA-N	411.933	4.000	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)c1ccc(Cl)cc1	742800430	RBHPXDRFNUUXKX-OAHLLOKOSA-N	408.832	3.909	10	20	HHCD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801725	SEXLOBWBVVGCEE-CZUORRHYSA-N	406.477	3.527	10	20	HHCD	
C[C@@H](OC(=O)[C@H](C)c1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	745130255	YRRUXXVTQVJFNN-ZIAGYGMSSA-N	417.417	3.729	10	20	HHCD	
CCOC(=O)N1CCC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1	745240651	AZTJFGKURZQSFU-UHFFFAOYSA-N	403.523	3.857	10	20	HHCD	
CC(C)[C@@H](CNC(=O)N(Cc1ccccc1O)C1CCCCC1)N1CCN(C)CC1	745431068	BYYCKCVGYDSGHX-JOCHJYFZSA-N	416.610	3.509	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C3CCC(c4ccccc4)CC3)nc12	745500621	FGLLXVASHYMZEZ-UHFFFAOYSA-N	423.469	3.629	10	20	HHCD	
Cc1ccc(N2CCC[C@H](NC(=O)NCc3c(O)ccc4c3CCCC4)C2=O)cc1	745879329	QUYRCSIVUDXBEW-NRFANRHFSA-N	407.514	3.574	10	20	HHCD	
CN1C(=O)N[C@]2(CCC[C@@H]2CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1=O	748098836	OXFBBLULJACHEB-GYCJOSAFSA-N	415.578	3.797	10	20	HHCD	
CCC(CC)(NC(=O)c1cc(C)n(-c2ccccc2Br)c1C)C(N)=O	749382795	HITGFCPWMUDZJJ-UHFFFAOYSA-N	406.324	3.631	10	20	HHCD	
CC(=O)c1cc(F)cc(CN(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1O	750820436	QFDMVYPHJQELGJ-MRXNPFEDSA-N	415.383	3.624	10	20	HHCD	
CCCc1c(C(=O)NCc2ccccc2O)cnn1-c1cc(F)c(OC)cc1F	752595189	BYMFMAZZOCNOAF-UHFFFAOYSA-N	401.413	3.747	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CCSC)NC(=O)c1ccccc1	752663056	YIFFPMJYBUAFQW-NRFANRHFSA-N	413.587	3.653	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cc(Cl)ccc3C)CC2)cc1	753022377	XUKRUYSTMKCMQK-UHFFFAOYSA-N	401.938	3.599	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3CN(C)C)CC2)cc1F	753729530	BNRWQTYFLJLHPE-UHFFFAOYSA-N	411.477	3.605	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)N3CCC[C@@H]3c3cccs3)CC2)cc1F	753858506	UTOFZFNTMFEBSH-VQIMIIECSA-N	417.550	3.770	10	20	HHCD	
COc1ccc(CCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OC)c1	753911694	UNFVUASLNIMTAI-UHFFFAOYSA-N	412.530	3.522	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@@H](c2ccco2)C1	753941881	ZKWKPVHJHAHJAF-HNAYVOBHSA-N	421.444	3.633	10	20	HHCD	
C[C@@H](NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756378429	DIMFZNJTWXMLGT-KUHUBIRLSA-N	405.882	3.678	10	20	HHCD	
CCN1CCN(C[C@@H](C)CN[C@H](C)c2cc(Br)cc(Cl)c2O)CC1	756535457	QEMHHXNELBGEGY-UONOGXRCSA-N	418.807	3.732	10	20	HHCD	
COc1cc(C[C@H](CO)CN[C@@H](C)c2cc(Br)ccc2O)cc(OC)c1	756638017	QGNXGZFCGREDBX-ZFWWWQNUSA-N	424.335	3.674	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1	758421487	ZTUZJKIMLSVDAH-UHFFFAOYSA-N	423.966	3.589	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1nc(-c2cccc(F)c2)no1	759583803	KRKJBSZJRTZFPB-NSHDSACASA-N	407.496	3.875	10	20	HHCD	
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)n1	760093292	XHCZJHUAZYARLY-UHFFFAOYSA-N	406.486	3.622	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)cc1	761027665	WGVDSBMIODWSEO-GOSISDBHSA-N	420.517	3.844	10	20	HHCD	
COc1cc(Cl)cc(CNCCCCN2CCN(Cc3ccccc3)CC2)c1O	761199194	XGRLQUZGRWTMPC-UHFFFAOYSA-N	417.981	3.742	10	20	HHCD	
CCN(CC)c1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1F	761252473	SHZWWJAWYCERIC-UHFFFAOYSA-N	419.884	3.995	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccn(-c4ccccc4Cl)n3)CC2)cc1	769007676	IRUCFRZPLFQJDY-UHFFFAOYSA-N	411.893	3.888	10	20	HHCD	
CCOC(=O)c1sc2nc(CN(C)c3ccc(OCC)cc3)nc(N)c2c1C	772184138	WMWNVUZGNHPYTA-UHFFFAOYSA-N	400.504	3.794	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CCCC(=O)c2ccc(Br)cc2)c1	772404255	HIOVUGDAWFHXEL-UHFFFAOYSA-N	406.276	3.833	10	20	HHCD	
COc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F	773013260	JXQYYGVMJSDAJQ-LLVKDONJSA-N	409.389	3.762	10	20	HHCD	
COCc1ccc(S(=O)(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1	774700877	PNPPUCYWZRVJQY-UHFFFAOYSA-N	420.512	3.775	10	20	HHCD	
CC[C@@H](NCC(=O)NCc1ccc(OC)cc1)c1cc(Br)ccc1O	775498142	XQTWOEYJSXYILU-QGZVFWFLSA-N	407.308	3.520	10	20	HHCD	
CC[C@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1O	775518057	CSFLAQYQLDQYAN-FQEVSTJZSA-N	412.530	3.815	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccnn3[C@H](C)CC(C)C)CC2)cc1F	775766858	SNUNQPRXDFCUCQ-MRXNPFEDSA-N	403.502	3.992	10	20	HHCD	
COC(=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	776021415	UVLRVLJZPAESLB-UHFFFAOYSA-N	408.420	3.618	10	20	HHCD	
COc1cc(O)c(CNC[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1OC	776236289	BAFGSEZPNZTRBN-JOCHJYFZSA-N	409.482	3.812	10	20	HHCD	
COc1cc(OC)c(C2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)c(OC)c1	779492256	IABGBLPQCYZREU-ALCCZGGFSA-N	413.470	3.543	10	20	HHCD	
CCN(CC)C(=O)Cn1ccc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc21	779511285	SVJXZQYVPPNXGS-POHAHGRESA-N	407.470	3.573	10	20	HHCD	
COC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc2)cc1	783095834	YECFHOBPEFNTDJ-UHFFFAOYSA-N	406.390	3.591	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C	785543948	JUCFTHXBCKJODE-JOCHJYFZSA-N	411.546	3.623	10	20	HHCD	
CCCc1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)co1	786518240	HRVZFSNCCKRFAG-UHFFFAOYSA-N	424.453	3.861	10	20	HHCD	
C[C@@H]1CC[C@H](COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)O1	789019255	PAAHFFIUZPKKKO-WYMRFSOBSA-N	411.570	3.840	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC=C(c3ccccc3)C2)c1	789545280	IBANRNDANHFYBY-UHFFFAOYSA-N	406.526	3.716	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1Cc2cc(Br)ccc2O1	792057836	QEMLIYVEZSIMKK-IBGZPJMESA-N	401.304	3.669	10	20	HHCD	
Cc1cc(C)c(NC(=S)NNc2ccccc2S(=O)(=O)N(C)C)c(Cl)c1	793328727	YRAFXCSHOIGLEC-UHFFFAOYSA-N	412.968	3.521	10	20	HHCD	
COc1ccc(N2CCN(Cc3nc4cc(Br)ccc4o3)CC2)cc1	795855124	LZWWWFRGURYCAN-UHFFFAOYSA-N	402.292	3.921	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(O)c1	796349925	GMMQUDIMWXKXSK-LJQANCHMSA-N	418.493	3.723	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cccc(C4CCC4)c3)CC2)cc(OC)c1OC	798497062	CNZOFPNSGCIXRL-UHFFFAOYSA-N	410.514	3.942	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(C)c1Cl	799832913	PEZXUJLBGSYDRT-SFHVURJKSA-N	416.905	3.809	10	20	HHCD	
Cc1cc([C@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)nn1C	800488129	OMSXWXKLKIGRHK-OXJNMPFZSA-N	401.555	3.711	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@]1(Cc2ccc(Cl)cc2)CCOC1	800708715	VHPKSZPKULUCJZ-QHCPKHFHSA-N	411.933	3.917	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	801595349	MCZXSZJCTOREPA-OAHLLOKOSA-N	401.463	3.938	10	20	HHCD	
C[C@H](NC[C@@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)c(F)c1	802316575	RERVCUXKNFIYPX-VBKZILBWSA-N	423.326	3.809	10	20	HHCD	
CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803685793	LEIFKYMYEXFXBI-UHFFFAOYSA-N	413.949	3.776	10	20	HHCD	
COc1cc(N2CCN(c3cccc(Br)c3)CC2)c([N+](=O)[O-])cc1OC	804715259	DAMFWILSSCACLA-UHFFFAOYSA-N	422.279	3.701	10	20	HHCD	
CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1	806431829	AWWNJIMZBHEZLG-OAQYLSRUSA-N	416.566	3.877	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)cc2OC2CCOCC2)c1	806645731	LOMDMHDNBKYAGD-CYBMUJFWSA-N	404.438	3.980	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2nc(C3CC3)cs2)cc1	806860235	KHAGAWXZYLKFQL-UHFFFAOYSA-N	424.526	3.847	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1	807191243	DIRDEIZWFXHAJS-NFBKMPQASA-N	424.541	3.723	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCSC2)NC(=O)OC(C)(C)C)cc1	810447363	NKEQZEFFBGMGHX-AEFFLSMTSA-N	407.580	3.578	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1COc2ccccc21	812444104	XLHSSIWZTMSVSD-CQSZACIVSA-N	405.292	3.862	10	20	HHCD	
COCC[C@H]1COCCN1C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	812745281	VEUNOHNOCNBKQY-SFHVURJKSA-N	421.335	3.734	10	20	HHCD	
COc1ccc([C@@H](O)C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1	812774046	DHPGUOQXIJBKCI-XMMPIXPASA-N	414.521	3.617	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1OCCc2sccc21	815860424	KWWTZFFUMDSQPU-HZUJVAHNSA-N	401.528	3.911	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)C1	817642199	SWCBCAALAGVKGX-HOTGVXAUSA-N	404.507	3.597	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C2CC2)cc1	914439959	RMGNMIGXJGOEFO-UHFFFAOYSA-N	413.905	3.895	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c(C)n1-c1ccccn1	914614231	WCGNRIIPAQZRES-UHFFFAOYSA-N	415.396	3.886	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1	917404944	RTCZUDZKUVCEAC-UHFFFAOYSA-N	423.538	3.558	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	918658832	UNJDLPZSCWGUIR-UHFFFAOYSA-N	417.575	3.955	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccccn3)cc2F)C[C@@H](C)O1	919907460	GOMORTQYKFJJOR-YVHKJVDXSA-N	412.509	3.881	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1	1320384862	DEWNIJHPEPTGIU-LIRRHRJNSA-N	406.523	3.619	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cnc(Cl)cc2Cl)cc1	1323403453	BRBWWWUQKRRXKS-UHFFFAOYSA-N	400.331	3.808	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccn(-c3ccncc3)n2)cc1	1339173118	HVQLDIHVAONZGW-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
C[C@@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)CC=CCC1	1803280076	HROBGSPZRWGHML-JEZSTIGHSA-N	418.921	3.749	10	20	HHCD	
Cc1ocnc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1844555403	SBAWRUMZZWROGE-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1	9932463	CLSKGWNKEQXTDP-UHFFFAOYSA-N	400.435	3.930	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@H]2CCOc3ccccc32)cc1	27574026	RUXKQNFOGAHVJH-NRFANRHFSA-N	404.466	3.891	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1	46019878	CPSBCVWURYZLCP-UHFFFAOYSA-N	403.482	3.819	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	108813541	KNCVRNNDKXHYQA-ZVDOUQERSA-N	417.594	3.839	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1	110469817	QCDPOUPCYZCBIX-UHFFFAOYSA-N	415.342	3.949	10	20	HHCD	
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	141016157	DTTJNKIMUVEBIX-KRWDZBQOSA-N	411.502	3.545	10	20	HHCD	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)Cc3ccc(N)cc3)n2)cc1	236651759	VOTIQUADIXWPPB-UHFFFAOYSA-N	408.527	3.642	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC3(c4ccccc4OC)CC3)CC2)cc1	726616504	NUSLHKUWFGKXNW-UHFFFAOYSA-N	409.530	3.704	10	20	HHCD	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(CC(C)(C)CN(C)C)C1=O	727176779	OUVSVMMFECVWNN-MFOYZWKCSA-N	424.588	3.501	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1	727250649	MTJNMMAEYOORGJ-UHFFFAOYSA-N	406.460	3.927	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCn2c(S)nnc2-c2ccc(C)cc2)c1	728983915	HDTDODSJIQSSHT-CQSZACIVSA-N	412.515	3.524	10	20	HHCD	
Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1C(=O)NC(C)C	731281523	LZZVCJOHHWOXIO-GOSISDBHSA-N	424.545	3.853	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CNC(=O)c2c(F)cccc2Cl)cc1F	731373101	HBBNAHWZVFPITE-UHFFFAOYSA-N	409.864	3.511	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](c3cccc(Cl)c3)N(C)C)CC2)cc1	731870019	HWMKNQQTJXBQJJ-OAQYLSRUSA-N	401.938	3.690	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)C2CCCCC2)cc1	735050167	IINILRXEKLCRRS-UHFFFAOYSA-N	423.557	3.991	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc(-n3cccn3)n2)cc1	736478247	GKURCIIYKFJMEC-UHFFFAOYSA-N	403.408	3.538	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc(C)c1OC(F)F	739768159	MDZPNOPWSSXBMM-UHFFFAOYSA-N	417.456	3.859	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)n2)c(C)o1	741136122	FJWJDHFUKRPWNM-UHFFFAOYSA-N	419.484	3.777	10	20	HHCD	
Cc1cc2cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)oc2cc1C	742566333	NBQLDPJZKYBAJX-GOSISDBHSA-N	405.498	3.681	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccc(F)c1	743472459	OMZLCVWCVPCLHM-KRWDZBQOSA-N	409.484	3.932	10	20	HHCD	
O=C(NC[C@@H]1CC1(Cl)Cl)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743547153	PFNIFXSMSVDYQO-RYUDHWBXSA-N	408.276	3.750	10	20	HHCD	
CCC(CC)c1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)on1	743564148	DWGQSCCFZYGHQM-INIZCTEOSA-N	400.523	3.975	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(CN2CCSCC2)c1	748543453	XRCRHVFXZPWZHV-UHFFFAOYSA-N	411.571	3.635	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)oc1C	751126610	ABNIWVCVUOSGGD-UHFFFAOYSA-N	422.484	3.616	10	20	HHCD	
NC(=O)c1ccc(CC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	753479673	FIKWSQFJCIJDMY-UHFFFAOYSA-N	416.437	3.925	10	20	HHCD	
Cc1ccccc1-n1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C(F)(F)F	753645483	UIIZRBHREWJQLU-CYBMUJFWSA-N	419.403	3.972	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(Br)cc1O	756544761	VPEMGPRYLFKLJE-PWSUYJOCSA-N	402.235	3.523	10	20	HHCD	
Cc1cc(S(C)(=O)=O)cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C	758287086	XURJDQGVWDLGOB-UHFFFAOYSA-N	400.544	3.578	10	20	HHCD	
COc1ccc([C@H](OC)[C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	762286904	HIYJCUROKLUXTF-ZUOKHONESA-N	418.877	3.595	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(O[C@H]2CCOC2)cc1	765295638	UDHYEOLSADRKQB-HNNXBMFYSA-N	407.264	3.644	10	20	HHCD	
CC1(C)C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(F)cc2O1	765690697	RWFCQZWJXVWQMY-HXUWFJFHSA-N	413.493	3.764	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)c2C)cc1	766954239	YAQFTJSLYQTYFK-LADGPHEKSA-N	420.557	3.907	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)c2)CC1	767936283	OFMYXVSFCCBTSI-UHFFFAOYSA-N	406.530	3.744	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])c(C4CC4)n3)c2C)cc1	768431559	ASDGWQRFKZQBMA-UHFFFAOYSA-N	422.441	3.746	10	20	HHCD	
CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2cc(OC)c(OC)cc2O)CC1	768464795	ANQIXGDPIQLODJ-IBGZPJMESA-N	406.473	3.957	10	20	HHCD	
Cc1ccc(O)c(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c1	768790894	FNRMGVCEMFVJOJ-UHFFFAOYSA-N	404.308	3.709	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2C)c1	770255202	XTNZKEAKDMVBOR-LLVKDONJSA-N	400.294	3.511	10	20	HHCD	
CC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1-c1ccccc1	772066927	CYSYOPKIUNWPRF-UHFFFAOYSA-N	422.504	3.901	10	20	HHCD	
COC(=O)Nc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(C(F)(F)F)c1	773755810	FURNKCHZJGSMBO-JTQLQIEISA-N	412.364	3.656	10	20	HHCD	
OC1(c2ccccc2Cl)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	775127726	FNBYNCKKBMBMTR-UHFFFAOYSA-N	404.913	3.799	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccc(OC)cc1	775197488	MHVJPADBXCHVPZ-JOCHJYFZSA-N	411.546	3.766	10	20	HHCD	
C[C@@H](NC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	775407294	RLIBHGLTLVFYOF-CYBMUJFWSA-N	415.950	3.831	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(Cl)ccc1O	775503753	NOHXQNIKUTXTHZ-LJQANCHMSA-N	408.951	3.521	10	20	HHCD	
CC[C@H](NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc(Br)ccc1O	775521880	CXMQRGKEAMAHHI-CMKODMSKSA-N	411.384	3.963	10	20	HHCD	
CC(C)(C)[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F	775978581	GQILKSPDYCYFER-MRXNPFEDSA-N	405.436	3.563	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2OC(C)C)cc1F	779159130	YDLRGKAMTCEITD-UHFFFAOYSA-N	419.472	3.853	10	20	HHCD	
O=C(Nc1ccccc1)c1nnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1	780304947	ZIFNZJOQCSCPHU-GOSISDBHSA-N	424.526	3.677	10	20	HHCD	
O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)O[C@@H]1C=CCC1	780562185	JNOSSLZJLSTOMM-CKXDQPNJSA-N	424.341	3.912	10	20	HHCD	
Cc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c(O)c1O	780902314	BTVTZXKNFPGKON-IBGZPJMESA-N	403.438	3.702	10	20	HHCD	
CC(C)[C@@H](CC(F)(F)F)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	782652389	DKSKKPAOHVHDOC-GOSISDBHSA-N	418.415	3.967	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	782727042	BYZIQSJMUDQQLF-QGZVFWFLSA-N	409.456	3.823	10	20	HHCD	
COC[C@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1ccc(Cl)cc1	787376653	LYEOMAYRXUQEIR-IBGZPJMESA-N	421.900	3.707	10	20	HHCD	
CCC1(CC)Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3cc(OC)ccc3O)cc2O1	787884687	WYNRANSPYUIGEK-ZDUSSCGKSA-N	414.458	3.504	10	20	HHCD	
CCOC(=O)c1cnc(/C(C)=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc1O	788357183	ZLANMJSWSMFWAM-SDNWHVSQSA-N	412.446	3.818	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@@H]1CCc1ccccc1	788930778	VPNXTINRKMRUBC-HSZRJFAPSA-N	405.542	3.527	10	20	HHCD	
CO[C@H]1CCOc2c(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cccc21	790566840	AFWNGDYFMRKFRO-IERDGZPVSA-N	411.502	3.876	10	20	HHCD	
C[C@@H](NCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1O	798181118	QDMAOIDWUDLOEP-MRXNPFEDSA-N	421.463	3.801	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C	799239620	FTIQMMOKITTZGB-NRFANRHFSA-N	411.502	3.754	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1	801945410	GPHUZSAKJVUQTO-CYFREDJKSA-N	421.545	3.757	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1	802610005	PPIVLTSRIYCBPP-UHFFFAOYSA-N	416.428	3.974	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccccc1Br	804943237	BCJXSMHWAUKGTP-UHFFFAOYSA-N	411.365	3.867	10	20	HHCD	
CC[C@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(Cl)c1O	806166699	ZZKAHHITGKZSNP-HNNXBMFYSA-N	421.321	3.857	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)cc1	808901738	JGSHOAVBSQWJOC-UHFFFAOYSA-N	406.889	3.703	10	20	HHCD	
COc1ccc(CS(C)(=O)=O)cc1NCc1ccccc1OCc1ccncc1	809695949	VZOJZZROJDXWNI-UHFFFAOYSA-N	412.511	3.826	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1	812047269	FSZDVCBJEBYAQR-RTBURBONSA-N	413.522	3.732	10	20	HHCD	
C[C@@H](c1ccccc1)[C@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(N)=O	813608158	CSDGTNZDZNQUDF-MBSDFSHPSA-N	422.573	3.912	10	20	HHCD	
Cc1n[nH]c(C)c1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	828582756	JLHZFNNYEPADLL-KRWDZBQOSA-N	411.531	3.800	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1	914505964	UWSXOZLWLYEECJ-UHFFFAOYSA-N	408.951	3.860	10	20	HHCD	
COCc1ccccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	918211612	KEMRFEYADZIYPQ-IRXDYDNUSA-N	415.509	3.585	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(C(=O)Nc4cccnc4)cc3)cc2F)CC1	1327677061	PLOXEPCLGCCZHF-UHFFFAOYSA-N	419.504	3.837	10	20	HHCD	
O=C(Cc1cccs1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1788231863	UOFOSSWOLDHISA-UHFFFAOYSA-N	423.494	3.545	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCCCC1)c1cc(O)c(O)c(Cl)c1	1795429716	HEXJWDRMJUTMGU-MUJYYYPQSA-N	406.910	3.583	10	20	HHCD	
CC(C)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1817202205	ZTNISHRMZPQCIG-ZDUSSCGKSA-N	424.860	3.528	10	20	HHCD	
C[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc(N2CCOCC2)cc1	148477973	UHLANWMPPHQVJW-IBGZPJMESA-N	417.509	3.988	10	20	HHCD	
CNC(=O)c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])c1	301486005	ZODSHVADXAWVLC-CQSZACIVSA-N	420.416	3.637	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c2ccccc12	437342503	IUBNCGZNSHYRME-UHFFFAOYSA-N	412.511	3.892	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4[C@H](CCCN4C4CC4)C3)ccc21	448195382	BYLKTSGSEKFEDK-NFBKMPQASA-N	409.574	3.993	10	20	HHCD	
Cc1c(CNC(=O)N[C@H](c2ccc(F)cc2)c2cnn(C)c2)n(C)c2ccccc12	472172626	MAJCXFKRWYXRRJ-JOCHJYFZSA-N	405.477	3.948	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1c[nH]c2cc(Br)ccc12	482496237	SJNQAVVKNNGALN-UHFFFAOYSA-N	414.303	3.965	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CC(=O)N(C)C)c3ccccc3)ccc21	483444847	YUYYUQXGQDIEOP-JOCHJYFZSA-N	421.541	3.854	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C\c3cccc4c3OCO4)SC2=S)c1	726625700	MDJBQXMJQAVLLB-LZYBPNLTSA-N	401.465	3.838	10	20	HHCD	
COc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)c1	727093993	XZESOEXISHYAMV-UHFFFAOYSA-N	416.389	3.940	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)N2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccc(OC(F)F)cc1	727239055	XPNMUIIBOJJHAX-DNVCBOLYSA-N	419.472	3.607	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)NCCc2cccs2)cc1	727693308	SOXMHKCIUUJONL-IBGZPJMESA-N	403.617	3.912	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1O	729859694	WMEQWSNWLNZCOY-AWEZNQCLSA-N	422.441	3.807	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1ccccc1C(=O)NC1CC1	731847407	KFCMHMNHPNDTIM-UHFFFAOYSA-N	407.514	3.668	10	20	HHCD	
Cc1ccc(C2(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CCOCC2)cc1	732054472	UYLAGAXIWSQJHM-UHFFFAOYSA-N	408.542	3.538	10	20	HHCD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1	732241520	LCYCUVWFEUFMKQ-LJQANCHMSA-N	418.651	3.940	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@H](C)S(C)(=O)=O)sc(C)c1-c1ccc(C)cc1	733091219	XFIWMEPXXDSFMJ-ZDUSSCGKSA-N	409.529	3.580	10	20	HHCD	
Fc1ccc2oc(NCc3ccc(N4CCN(c5ncccn5)CC4)c(F)c3)nc2c1	733994667	RPUWFIGHFCHCAP-UHFFFAOYSA-N	422.439	3.835	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc[nH]3)cc2F)C[C@@H](C)O1	734270173	QDBWULNZSJOLDL-VWKPWSFCSA-N	400.498	3.814	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1	735841880	XUGKTGYJEBPAEW-UHFFFAOYSA-N	423.557	3.773	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(C)CCCNC(=O)OC(C)(C)C)cc2)CC1	736385736	APZUROCKUWPIDL-UHFFFAOYSA-N	418.582	3.979	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccc(N2CCOCC2)cc1	736473551	AYRLTLBJOJCXND-QGZVFWFLSA-N	404.470	3.597	10	20	HHCD	
CCc1nc2cc(NC(=O)C(=O)NCc3ccc(N(CC)CC)c(F)c3)ccc2o1	737192325	ZBKJKLMQHBAYCG-UHFFFAOYSA-N	412.465	3.630	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCC(=O)OC(C)C)c2C)cc1	741476661	QUQMGDVPSWHQRL-UHFFFAOYSA-N	403.500	3.748	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3cn(C)c4ccccc34)cc2F)C[C@@H](C)O1	743829886	IOMOVGKNFIENMJ-CALCHBBNSA-N	409.505	3.790	10	20	HHCD	
O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)Nc1ccc(N=Nc2ccccc2)cc1	746022085	VMYYAVQJFNLQLU-SPLOXXLWSA-N	406.446	3.602	10	20	HHCD	
CC(C)N(C(C)C)S(=O)(=O)c1ccc(NCCCSc2nccs2)nc1	746461466	YGHPHSMVDSYVMU-UHFFFAOYSA-N	414.622	3.940	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cccc(F)c3I)ccc21	749805699	IBIRGWDGXGIFAA-UHFFFAOYSA-N	424.257	3.743	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1	751207849	HVTZRJBUOPPQIA-UHFFFAOYSA-N	416.933	3.727	10	20	HHCD	
O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1c(-c2ccccn2)nc2ccccn12	751307015	DZAJWKOIQBGPQF-UHFFFAOYSA-N	411.465	3.926	10	20	HHCD	
Cc1csc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1Br	754165834	YHSFZKRWPQFQPT-UHFFFAOYSA-N	409.349	3.928	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1cc(Cl)ccc1O	756732779	LRSDLOUDVFRBCU-INIZCTEOSA-N	401.938	3.722	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cnc4ccccc4c3C)CC2)cc(OC)c1OC	759238767	CNOKUVGMKWQDLM-UHFFFAOYSA-N	421.497	3.531	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC[C@H]1c1ccc2c(c1)OCCO2	759592027	VVENHRCDMOEQRJ-HNNXBMFYSA-N	405.545	3.943	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)c(C)n1Cc1ccco1	759596367	VAPZQWZOJXLFBZ-DZFYGRHCSA-N	409.438	3.985	10	20	HHCD	
COc1ccc(COCCCC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	760387874	YPQYRYLQKQXROR-UHFFFAOYSA-N	412.530	3.786	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)c(C)n1-c1cccc(Br)c1	762541183	XNWFAMDSVOBPSF-ZJWNCGCPSA-N	423.376	3.697	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1ccc(N2CCCCC2)cc1	763564898	UMEZXXINJVNSMR-UHFFFAOYSA-N	408.468	3.911	10	20	HHCD	
COc1ccsc1/C=C1/SC(=S)N(CCc2ccc3c(c2)OCCO3)C1=O	764412715	UFNNVCHJKXULRP-GZTJUZNOSA-N	419.549	3.972	10	20	HHCD	
Oc1c(Br)cccc1CNc1nc(O)c2cnn(-c3ccccc3)c2n1	764933534	FANPPADYRCNAKY-UHFFFAOYSA-N	412.247	3.601	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCO[C@@H](c2ccccc2)C1	765230707	SHTVBFLYWDGGAE-IFMALSPDSA-N	411.571	3.959	10	20	HHCD	
CC1(C)C[C@@H](NC(=O)c2cc(O)cs2)C[C@@](C)(CNC(=O)c2cc(O)cs2)C1	765402910	KGIZYFBWKCNJHU-MPBGBICISA-N	422.572	3.966	10	20	HHCD	
CC(C)Oc1cncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	765688785	XZJSKCDXVQMTGQ-MRXNPFEDSA-N	405.445	3.869	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Br)c(Cl)c1	766047400	HIFYGJFPYMLVFW-UHFFFAOYSA-N	404.669	3.812	10	20	HHCD	
CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1	766743364	LQSLPLGIERICMQ-UHFFFAOYSA-N	424.364	3.916	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F	768208933	WAZDBGVJSWPODL-UHFFFAOYSA-N	407.417	3.665	10	20	HHCD	
O=C(N/C(=C\c1cccnc1)C(=O)N1C[C@H]2CCC(=O)c3cccc1c32)c1ccccc1	768572702	JMZNNBZMNIRDFX-BWCLHNGZSA-N	423.472	3.959	10	20	HHCD	
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(c1ccccc1)c1ccccc1	769688505	JNUPEUJQLXXZSF-MRXNPFEDSA-N	424.522	3.714	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1	769785155	JKCKFHSAWSGGCN-UHFFFAOYSA-N	423.903	3.793	10	20	HHCD	
Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	770089798	HZDKZIFKQUZRAG-OAHLLOKOSA-N	402.882	3.870	10	20	HHCD	
Cc1ccc(C(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)c(O)c1O	770503656	SNABVQCFVVWZPX-KRWDZBQOSA-N	422.447	3.933	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(C)nc3Br)CC2)cc1F	771500927	GOCJSOFWCFZUFZ-UHFFFAOYSA-N	423.286	3.654	10	20	HHCD	
Cc1cc(C(=O)Nc2n[nH]c(-c3ccc(O)c(Cl)c3)n2)c(C)n1-c1ccccn1	771596820	OBVFRXUXNJFWMM-UHFFFAOYSA-N	408.849	3.886	10	20	HHCD	
CSc1ccc(Cl)cc1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	772903775	JPMQKDCWXROQSO-UHFFFAOYSA-N	423.941	3.766	10	20	HHCD	
Cc1ccc(NC(=O)C2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)nc1	773624508	NMTWZFXXNTXHGR-KRWDZBQOSA-N	409.534	3.577	10	20	HHCD	
Cc1cc(C(=O)NCCc2cncn2C)c(C)n1-c1ccc(Br)cc1	773829167	FIDSFOKYVDCFFC-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)c1ccc(N(C)C)cc1	773845449	GMTKIEZNMLWOCF-NSHDSACASA-N	424.726	3.984	10	20	HHCD	
Cc1cnc(Br)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	776050697	XMAJBDRVEKPIHL-AWEZNQCLSA-N	419.323	3.872	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	776239827	WLGIMHMZALYOKK-AHRSYUTCSA-N	416.566	3.997	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	776864026	HNHYYOQAIIVSIJ-LNLFQRSKSA-N	407.530	3.570	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)CC2)cc1	777015478	XOLMADNTFZWCHZ-LEWJYISDSA-N	408.464	3.788	10	20	HHCD	
C[C@H](NC(=O)N1CCC(Oc2cncc(Cl)n2)CC1)c1ccc(N(C)C)cc1	777637724	OHDQSHXTXWOQSG-AWEZNQCLSA-N	403.914	3.510	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](c3ccccc3)c3ccccn3)cc2)C1	779020345	RAKWUXBLXUNBKD-ZJSXRUAMSA-N	400.526	3.663	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3noc4c3CCCCC4)cc2F)C[C@@H](C)O1	780398295	WPHCZDZELNUGPI-HUUCEWRRSA-N	401.482	3.626	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1	780681606	OXJDAFUZAJKBOR-CABCVRRESA-N	407.511	3.551	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1C	785641837	BOECMGUAIURMBW-XMMPIXPASA-N	416.481	3.515	10	20	HHCD	
CN(C)Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1	789728736	VTQILTYGDACSAR-UHFFFAOYSA-N	415.540	3.607	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCc2c(O)cccc21	789817498	XSSSWEGXOFWKNM-PXNSSMCTSA-N	414.933	3.952	10	20	HHCD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	792591558	MCWLIPAVFBYNAV-GIVPXCGWSA-N	419.569	3.994	10	20	HHCD	
Cc1ccc(NCc2cc3c(cc2O)OCO3)cc1S(=O)(=O)N1CCCCCC1	796383305	NMJHEZKWRKSYRY-UHFFFAOYSA-N	418.515	3.606	10	20	HHCD	
CCCCNS(=O)(=O)c1ccc(C)c(NCc2ccc(N3CCOCC3)cc2)c1	796434320	MJEBKTXKUVMSEN-UHFFFAOYSA-N	417.575	3.522	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1OC	799184811	ZVNQQXXRFQJBEP-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
CCOc1cccc(CNCCOc2ccc(I)cc2)c1O	800889927	VUNWAQICRBUMSJ-UHFFFAOYSA-N	413.255	3.564	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1	801550374	XUPBISXTVYUARA-UHFFFAOYSA-N	424.950	3.543	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCCC[C@@H]3c3cc[nH]n3)cc2F)C[C@@H](C)O1	806458408	YBMRRJALBKPOCL-WHSLLNHNSA-N	415.513	3.599	10	20	HHCD	
CSCC[C@H](NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)N(C)C	807906426	UIOFEZZJZAHNLK-IBGZPJMESA-N	421.994	3.616	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccc(F)cc2F)CC1	809209660	LTWSAVMWMRGLMD-UHFFFAOYSA-N	416.468	3.647	10	20	HHCD	
COCC[C@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	812744159	CKPBFEKRWGSHBG-SFHVURJKSA-N	421.335	3.734	10	20	HHCD	
N=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cc(F)ccc1F	849081946	RCFMTGKLVZYBNK-UHFFFAOYSA-N	414.378	3.957	10	20	HHCD	
Cc1ccccc1[C@H](CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C)NC(N)=O	914446283	WWISNKWRFSYVFQ-QHCPKHFHSA-N	418.541	3.861	10	20	HHCD	
COc1c(C)ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C	916679812	FYJSKDOBPLJVNR-UHFFFAOYSA-N	401.482	3.734	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	917898391	UXPRGPRCPZSVDX-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)ccc1OC(C)C	917912764	VIAURMIAIDHDAO-UHFFFAOYSA-N	420.600	3.814	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OCC	917928094	TXTGRYHOYTZTIH-UHFFFAOYSA-N	418.559	3.903	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](c1ccccc1)C(F)(F)F	918208645	DYZWINXYWGPGHH-SFHVURJKSA-N	411.399	3.765	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCn3ccccc3=O)c2C)cc1C	919256412	XTOMYZZACHDVII-UHFFFAOYSA-N	406.482	3.689	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1	920252757	OTAONCWGYGVKHT-HSZRJFAPSA-N	406.574	3.943	10	20	HHCD	
CC1(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CCCCC1	1846323863	PQVOWGMZLTZRKI-UHFFFAOYSA-N	406.910	3.539	10	20	HHCD	
Cc1nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c(=S)n1Cc1ccccc1	7317503	VKBPVTKNLZYTQR-UHFFFAOYSA-N	423.586	3.697	10	20	HHCD	
Cc1cc(NN/C=C2\C(=O)N(CC(C)C)C(=S)N=C2O)nc2ccc(Cl)cc12	29004129	HLPIRWLUSIKBQL-ZSOIEALJSA-N	417.922	3.737	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(-c2csnn2)cc1)c1ccc(N2CCOCC2)cc1	142232396	PZIHYRHTFZRATJ-HNNXBMFYSA-N	409.515	3.924	10	20	HHCD	
Cn1ccnc1[C@@](O)(CCNCc1cc(-c2ccccc2)ccc1O)C(F)(F)F	727645497	NNKPYIJMESQUPZ-FQEVSTJZSA-N	405.420	3.723	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(C)Cc3cccs3)ccc21	728637820	RIGDRDLTSIGJAF-UHFFFAOYSA-N	414.527	3.781	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1	728981822	FFLLUDHPVZFSQX-LBPRGKRZSA-N	413.424	3.844	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)N2CCCC2)cc1	729041416	RBEVQLJJFLOIFQ-HRAATJIYSA-N	413.518	3.607	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2sccc2S(=O)(=O)C(F)F)cc1	730959004	LFTIJBVZMOILIH-UHFFFAOYSA-N	416.515	3.863	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3cnc4c(N(C)C)ncnc43)c2C)cc1	731566657	FKQIEEJZKXKAAU-UHFFFAOYSA-N	418.501	3.581	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cn3)SC2=S)cn1	733813176	NEPVRWLRYMZXRN-WUXMJOGZSA-N	408.302	3.654	10	20	HHCD	
O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NCCCSc1nccs1	733900147	UVCQHTJEVDTLKE-UHFFFAOYSA-N	412.480	3.644	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(I)c1	734642653	ONNBISVIXQFHEC-UHFFFAOYSA-N	409.271	3.987	10	20	HHCD	
CS[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	735265616	KQIFMIBSVXJFID-OLZOCXBDSA-N	424.478	3.774	10	20	HHCD	
CC1CCN(c2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cn2)CC1	735518424	VEOBDEHIZCNTKB-NRFANRHFSA-N	409.530	3.845	10	20	HHCD	
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	736570283	YTSJPLNQPRHMDE-UHFFFAOYSA-N	418.497	3.522	10	20	HHCD	
Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3c(O)ccc4ccncc34)CC2)c(C)c1	738271970	HCPLSSXESVUVTD-IBGZPJMESA-N	419.525	3.669	10	20	HHCD	
CC1CCN(c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)CC1	740605197	OXEILYHYRLTWIN-UHFFFAOYSA-N	420.447	3.540	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@@](C)(O)C(F)(F)F)c(C)n1-c1cccc(F)c1	740752050	TUISCPPMCFPCFC-GOSISDBHSA-N	401.356	3.663	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3cccc(CC(F)(F)F)c3)CC2)cc1	742264127	RBNMSNNJPPYBID-UHFFFAOYSA-N	407.436	3.561	10	20	HHCD	
CC(C)Nc1ncccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743734812	AAWIMLQZFIIZFI-OAHLLOKOSA-N	404.461	3.902	10	20	HHCD	
Cc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743975203	OCKUVGCUDZVSAZ-MRXNPFEDSA-N	417.456	3.629	10	20	HHCD	
C[C@H](OC(=O)[C@@H](C)C(F)(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	745617648	BFTQDNBRJGMUMP-MNOVXSKESA-N	419.355	3.531	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	745779565	ORMHBWAEXAKFAS-RDPSFJRHSA-N	422.573	3.500	10	20	HHCD	
O=C(NCc1ccccc1O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	748353659	CEZSORALGGOUIM-UHFFFAOYSA-N	423.391	3.852	10	20	HHCD	
CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1	749655305	HWBVDBAZJCCSML-UHFFFAOYSA-N	408.498	3.755	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)COc3ccc(N4CCCC4)cc3)cc2)C[C@H](C)O1	749791046	LRIQDPJDAPYRDQ-OALUTQOASA-N	409.530	3.918	10	20	HHCD	
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	750670433	KTECABQNIRXPQU-YPQLRWHESA-N	404.532	3.777	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	754452843	IDJIBABXLJQSFY-UHFFFAOYSA-N	412.490	3.742	10	20	HHCD	
COc1cc(C[C@@H](CO)CN[C@@H](C)c2ccc(Br)cc2O)cc(OC)c1	756636424	JIZQTNVHYDRJKX-DZGCQCFKSA-N	424.335	3.674	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cccc(-n3cccn3)c2)SC1=S	760215455	HKOSHTVXDMHNOJ-ATVHPVEESA-N	400.573	3.661	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1	764676699	SQQXKZCWSAVMMR-LJQANCHMSA-N	412.534	3.775	10	20	HHCD	
CCOc1cccc2[nH]cc(CC(=O)NCc3cccc(Br)c3O)c12	765770352	OOCRDJBOTORSCV-UHFFFAOYSA-N	403.276	3.894	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3cccc(N4CCCC4=O)c3)c2)CC1	767382689	UPLAHWOUIQXCTK-UHFFFAOYSA-N	406.530	3.596	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1	767774120	PTHGKAFXKIWFNW-GOSISDBHSA-N	420.893	3.676	10	20	HHCD	
Cc1cccc([C@@H](O)CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	769127933	SSZZUTGFZQNICJ-PXNSSMCTSA-N	419.472	3.598	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)c1	769542578	GWJDFWPZIJYKKW-MAODMQOUSA-N	422.525	3.801	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1	772082028	ZRKGFBFVKWWILE-QFIPXVFZSA-N	415.497	3.994	10	20	HHCD	
CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773747738	GZALPKQPHOYJTK-INIZCTEOSA-N	409.486	3.679	10	20	HHCD	
Cc1sc2ncnc(SCC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2c1C	773749609	RJSDJFADLIMYOD-JTQLQIEISA-N	403.529	3.559	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	773768131	BKLKKMGREFFHJO-OAHLLOKOSA-N	421.453	3.979	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2ccc(Cl)nc2)nc1-c1ccccc1	775206609	DXDZYMAZJQLFBM-UHFFFAOYSA-N	408.892	3.618	10	20	HHCD	
CC[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc(Br)ccc1O	775491312	IBBHQGTWAYMZGS-KRWDZBQOSA-N	412.349	3.940	10	20	HHCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCCS3(=O)=O)c(F)c2)c2c(O)ccc(F)c21	775582134	ULHOZEPEPXYSOG-BLLLJJGKSA-N	408.470	3.548	10	20	HHCD	
C[C@H](NC(=O)NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(N(C)C)cc1	776110999	QHFJBNXQICEYNW-INIZCTEOSA-N	412.509	3.557	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	776864025	HNHYYOQAIIVSIJ-LMMKCTJWSA-N	407.530	3.570	10	20	HHCD	
CCOC(=O)N1CCC([C@H](C)NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1	777683525	MCNPKQVSQDCJDW-SFHVURJKSA-N	418.582	3.931	10	20	HHCD	
CCOc1ccc(CCC(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)cc1	777827459	AMAGBOHBDMJTFV-UHFFFAOYSA-N	405.878	3.579	10	20	HHCD	
COc1cc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1OCc1ccncc1	779502661	WBCGFPKPZDDCJC-FAOGRTBUSA-N	420.465	3.971	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccsc3)cc2F)C[C@H](C)O1	780397602	NYYORCRQHOZTEN-KBPBESRZSA-N	414.506	3.821	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2	780494685	AXXNHHWRFUHOEI-CVDCTZTESA-N	401.551	3.748	10	20	HHCD	
COC(=O)[C@H](Cc1ccc(F)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	783570910	JVPWISYFHBEJSP-XLIONFOSSA-N	422.447	3.770	10	20	HHCD	
Clc1ccc(-n2cc(CNCc3ccc(N4CCOCC4)cc3)nn2)cc1Cl	784515625	KNGHOZSOCWXVOG-UHFFFAOYSA-N	418.328	3.701	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)c3ccccc3Cl)cc2)CC1	786658606	BPHMPEJWZQLKQD-UHFFFAOYSA-N	413.949	3.603	10	20	HHCD	
CC1(C)C[C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cc([N+](=O)[O-])ccc21	788581110	SFDKYGFRVIFAJC-VGSWGCGISA-N	422.529	3.809	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(O[C@H]2CCOC2)cc1	790832835	JNLYMFGBGXKUKO-SFHVURJKSA-N	413.429	3.882	10	20	HHCD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)Cc1c(O)ccc(Cl)c1F	792156317	ALNSLNBESNGLML-UHFFFAOYSA-N	421.856	3.873	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)CCc2ccc(Br)cc2)c(O)c1	792841182	KKRIIVKTCPIOBC-ZDUSSCGKSA-N	407.308	3.984	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3ccccc3C(N)=O)c2C)c1	795813176	HPGGVCOVTFUOKK-UHFFFAOYSA-N	418.493	3.860	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCCn2cc(Br)cn2)c1O	797120991	WWQFFCQDTNVOAD-SNVBAGLBSA-N	403.118	3.773	10	20	HHCD	
Oc1c(Cl)cccc1CN1CCC(O)(c2scnc2Br)CC1	797604091	JHJOYMAJJVQNDF-UHFFFAOYSA-N	403.729	3.748	10	20	HHCD	
Cc1cc(CNC(=O)N(C)Cc2ccccc2O)ccc1I	798481756	XMMUKFJDEMPMSB-UHFFFAOYSA-N	410.255	3.647	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCOC2)cc1	802761366	NUTSOJMAVDHARG-HXUWFJFHSA-N	422.577	3.803	10	20	HHCD	
COc1cc(C)c(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1OC	805135566	UYDLFIZZCZOOJH-UHFFFAOYSA-N	406.287	3.503	10	20	HHCD	
CC(=O)C(=O)CSc1nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2o1	808018141	HERKXEFIZBBTLA-UHFFFAOYSA-N	424.887	3.532	10	20	HHCD	
CC(C)c1csc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1	808306236	PZQNEAGIDIAABY-UHFFFAOYSA-N	414.575	3.532	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1OCCc2sccc21	815860425	KWWTZFFUMDSQPU-LUQKVYGDSA-N	401.528	3.911	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1F	915220012	ZEKIBGMKQVBPOR-UHFFFAOYSA-N	406.460	3.694	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1	918200732	BEPSWLHNKGAUHX-UHFFFAOYSA-N	420.439	3.594	10	20	HHCD	
CC[C@@H](C)NC(=O)CCNC(=O)c1cc(C)n(-c2ccccc2Br)c1C	918627294	PSHKLTWCKFCRME-CYBMUJFWSA-N	420.351	3.891	10	20	HHCD	
CC(C)OCc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	920193361	UAJQOSKXRXOJGE-UHFFFAOYSA-N	409.530	3.807	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](c3ncc(C)s3)C3CC3)CC2)cc1	1318892972	FZVKASBCJJDNQX-IBGZPJMESA-N	400.548	3.879	10	20	HHCD	
CN1CCN(c2ccc(CNc3nnc(Cc4ccc(F)cc4)s3)cc2F)CC1	1320685697	SIFQCYCUSFVNMB-UHFFFAOYSA-N	415.513	3.771	10	20	HHCD	
CCOc1ccc(N2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1	1335867378	RTCAEVZTADSINN-MRXNPFEDSA-N	423.473	3.927	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4sccc4C3)cc2F)C[C@@H](C)O1	108467786	IHMJATVSUUDGLA-HUUCEWRRSA-N	403.523	3.769	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)[nH]c(C)c1C(=O)OC	108195400	DDIKHSXXHRRJQR-UHFFFAOYSA-N	415.559	3.545	10	20	HHCD	
COc1ccccc1CN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1	65698371	ZWIYFGBVTCSXRJ-GOSISDBHSA-N	409.530	3.967	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2F)CC1	303302269	NAYXEPZMFKMHCG-MRXNPFEDSA-N	419.928	3.705	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C3CCN(C(=O)OCc4ccccc4)CC3)ccc21	195738987	VPFVHGNVBNPGPU-UHFFFAOYSA-N	421.541	3.734	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccccc1-n1cccn1	805742143	FMDQJERQIVNRPE-GOSISDBHSA-N	420.513	3.584	10	20	HHCD	
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)NCCCSc1nccs1	806278320	RAUBKOWHOWRLGA-UHFFFAOYSA-N	405.589	3.698	10	20	HHCD	
CC[C@H]1CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[C@H](CC)CN1C(C)=O	471436480	NMHRLWZAWCKLEJ-LEWJYISDSA-N	413.562	3.766	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2ccc(Cl)cc2)CCOCC1	475943530	AOTQPDIAUSUOAF-UHFFFAOYSA-N	400.906	3.880	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1	807100300	IIZQDERTQRCOSU-HXUWFJFHSA-N	418.541	3.565	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1)c1ccc(N(C)C)cc1	807675579	BVEOYKPPMJUDSA-KBPBESRZSA-N	423.435	3.706	10	20	HHCD	
Cc1cc(C)c([C@H](C)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)c1	815591940	UXHSPBBNJNXTOG-SFHVURJKSA-N	402.560	3.761	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(Br)nc3)cc2F)CC1	810216883	RDLDXFICFOLEGM-HNNXBMFYSA-N	421.358	3.976	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1O	816658215	HVJSOGAUKKIHTI-UHFFFAOYSA-N	414.245	3.734	10	20	HHCD	
COc1ccc(C[C@@](C)(O)CN[C@@H](C)c2ccc(Br)cc2O)cc1OC	810254380	CTWFWDNPNUKPEK-RNODOKPDSA-N	424.335	3.816	10	20	HHCD	
C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	729051048	OKFJKMSBRPHYFQ-OAHLLOKOSA-N	420.479	3.758	10	20	HHCD	
O=C1/C(=C/c2cnn(Cc3ccccc3)c2)SC(=S)N1CCc1ccccn1	726197538	UFYWPOCVMHCYOW-UNOMPAQXSA-N	406.536	3.770	10	20	HHCD	
O=C1/C(=C/c2cc(Cl)c3c(c2)OCO3)SC(=S)N1CCc1cccnc1	727863884	LDKAGERUUNLBME-NVNXTCNLSA-N	404.900	3.908	10	20	HHCD	
CC(C)(C)c1cc(CNCCCN2CCC[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1	729684405	OGTUDGRNCZYCEY-QGZVFWFLSA-N	403.611	3.664	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(OC(C)C)CC2)c(C)n1-c1ccc2c(c1)OCCO2	730569741	FWUBJRQJFHHECW-UHFFFAOYSA-N	412.530	3.937	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)cc1	734660716	URGTYJACZJJCOZ-QFIPXVFZSA-N	408.546	3.870	10	20	HHCD	
CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1	918992716	CYKJENPWMXRRAC-UHFFFAOYSA-N	411.527	3.871	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1F	917898205	XYMAIHAWBBABNU-UHFFFAOYSA-N	412.439	3.906	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c1	917074348	YQXFAUQGSCRMRG-UHFFFAOYSA-N	422.573	3.838	10	20	HHCD	
Cc1cccc(-c2nnc(S)n2CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	914440393	ZJZJRJLKVRQHJJ-UHFFFAOYSA-N	421.570	3.799	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1	918112583	FMPZVOOFCYJDLK-UHFFFAOYSA-N	406.486	3.624	10	20	HHCD	
Cc1cc(CC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c(C)n1-c1ccc(Cl)cc1	916977367	DELATWAVYSBWFP-QFIPXVFZSA-N	421.928	3.729	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2ccnc2)cc1	742801004	WJQFLDOWIUZRKB-KRWDZBQOSA-N	412.440	3.873	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(-c2ccccc2)c1	742799471	YKQNTFDVUDAQAD-QGZVFWFLSA-N	412.440	3.873	10	20	HHCD	
COc1ccccc1C/C(C)=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749407110	SRVVHVVJINOKCL-SAPNQHFASA-N	412.505	3.601	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C3CCOCC3)CC2)c(C)n1-c1cccc(Cl)c1	747432346	OELRUGFRPASNNN-UHFFFAOYSA-N	401.938	3.684	10	20	HHCD	
COc1ccc(CCNC(=N)NCc2ccc(N3CCC(C)CC3)cc2)cc1OC	849101892	VXOOMSOBSQEBSJ-UHFFFAOYSA-N	410.562	3.797	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)CC(C)C	918202056	HNOPKFKYNQYEQD-OAQYLSRUSA-N	406.640	3.796	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccccc1C(C)(C)C)c1ccc(N2CCOCC2)cc1	742283387	AFGNASGTPNEMOE-QGZVFWFLSA-N	402.560	3.860	10	20	HHCD	
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)NCc1c(O)ccc2c1CCCC2	743614297	BLVVAAJLPGKRCM-UHFFFAOYSA-N	412.877	3.974	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(CCS(C)(=O)=O)cc1	747014468	ZDXDXHSFMAIZPV-UHFFFAOYSA-N	402.541	3.995	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(C(=O)N2CCSCC2)c1	741065055	OFOWZCHYRFKKLH-UHFFFAOYSA-N	422.554	3.574	10	20	HHCD	
CC(C)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	746952201	OLXCLUYNEBDGSI-QFIPXVFZSA-N	422.573	3.756	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3cc(-c4nc(C)co4)ccc3C)CC2)cc1	759787457	NBTBSWAFVHNNFH-UHFFFAOYSA-N	420.513	3.728	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)n2)c(C)o1	751127353	LUBZGFCFJQKEIC-UHFFFAOYSA-N	401.469	3.662	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1cc(Br)cc(F)c1O	756478241	GZPDCFUPMZGVMW-ZDUSSCGKSA-N	409.299	3.993	10	20	HHCD	
Cn1cc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21	755423277	UPYWFOFPKRHIDN-UHFFFAOYSA-N	409.505	3.528	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnn(C)c2Br)c(C)n1-c1ccccc1	759627858	FTPHIQIXNCHPAZ-UHFFFAOYSA-N	416.275	3.630	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Nc1cnc(Br)c(Br)c1	758274966	YQHLHKMACDMNDQ-UHFFFAOYSA-N	415.085	3.976	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c(C)n1-c1ccccc1Br	758826722	UOYRDAHZMRQVHW-HNNXBMFYSA-N	413.319	3.867	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c(C)n1-c1ccccn1	752494987	CDCHUAWNHREUID-MRXNPFEDSA-N	401.470	3.954	10	20	HHCD	
CC[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCCO1	756105617	SVANIVJPBYPHEO-SXVLCJDNSA-N	424.613	3.803	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2CCC(F)(F)F)c1	757259616	HWZPUBCXDZROCR-LBPRGKRZSA-N	410.392	3.712	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C(C)C)nc4onc(C)c34)CC2)cc1F	753741049	AYDYDVVJEHMCKY-UHFFFAOYSA-N	412.465	3.765	10	20	HHCD	
O=S(=O)(c1ccc(Cl)s1)N1CCCN(Cc2cc(Cl)ccc2O)CC1	769246344	ZZOYATFZJZWRHK-UHFFFAOYSA-N	421.371	3.657	10	20	HHCD	
C[C@@H]1CC(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C[C@@H](C)O1	768054053	FIFGJHAEECAHQO-BPLGGGKVSA-N	424.613	3.802	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCO[C@H](C2CC2)C1	765316362	QSBPKTDAYXXNEW-LPHOPBHVSA-N	409.477	3.514	10	20	HHCD	
C[C@H](NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)c(F)c1	765312311	CVYZNZXEQNOMPV-ZWKOTPCHSA-N	401.501	3.979	10	20	HHCD	
CCCSc1nsc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)n1	762950458	CCIFZRWMORICAF-UHFFFAOYSA-N	411.528	3.542	10	20	HHCD	
Cc1ccc(NC(=O)C2CCN(Cc3cccc(Br)c3O)CC2)nc1	768536946	JVJDESBAYZTDCP-UHFFFAOYSA-N	404.308	3.709	10	20	HHCD	
CCc1nc2c(s1)[C@@H](N(C)C(=O)NCc1ccc(N3CCOCC3)cc1)CCC2	764357456	XYLRUUMUWUEXHK-IBGZPJMESA-N	414.575	3.761	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c1	769530670	MAEXMYIVVCXKIB-UHFFFAOYSA-N	408.483	3.649	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1O	775563427	YJBUUPQERSJSHT-XHDPSFHLSA-N	409.364	3.775	10	20	HHCD	
C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(N(C)C)c(F)c1	779190804	HRWUYTWMJRBQQH-MRXNPFEDSA-N	405.539	3.625	10	20	HHCD	
COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)/C=C\c2ccc(O)c(O)c2)c1	779543869	YQMDSSDYDLJHSH-XZBOQHEZSA-N	419.477	3.882	10	20	HHCD	
C[C@H]1CN(C(=O)Cn2cc(NCc3cc(-c4ccccc4)ccc3O)cn2)C[C@H](C)O1	773404028	AHZVWMHUCGKBNW-ROUUACIJSA-N	420.513	3.504	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2cc(Br)cc(C)c2O)c1	779024558	NGPUXMQXLJPTSZ-KPZWWZAWSA-N	410.308	3.865	10	20	HHCD	
CC[C@H](NC[C@@H](O)c1cc(OC)ccc1OC)c1cc(Br)ccc1O	775486902	JFAWWTDQWUSXRU-FUHWJXTLSA-N	410.308	3.946	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H](COc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	779984433	HRAQLPRUDCGEJK-PMACEKPBSA-N	409.530	3.695	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	779344315	WBPGQZWAJPAMON-QFBILLFUSA-N	416.566	3.514	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3nc(Br)ccc3C)CC2)cc1	786622881	GNBVVEAHQRHRNR-UHFFFAOYSA-N	404.308	3.560	10	20	HHCD	
C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@H]1CCCOC1	780117328	HMAWAWPLWRJLBN-LJLNYXAJSA-N	424.613	3.661	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1	782032699	KBRMTZXRYHTPNU-FQEVSTJZSA-N	409.555	3.652	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccccc1OC(F)F	787373519	MBNDCHNBWBECJQ-CQSZACIVSA-N	406.429	3.610	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)cc1	786283341	AFHBGSFCNUPKHW-UHFFFAOYSA-N	419.529	3.590	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)cc1	790550752	FYZACALBXKYNSD-UHFFFAOYSA-N	421.856	3.724	10	20	HHCD	
CCc1ccc2occ(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2c1	795395288	BRHFNDCBNACWTI-GOSISDBHSA-N	405.498	3.627	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)CCN(C)C2CCN(C)CC2)c1	1318498195	AHOIMPWDRNTXNZ-UHFFFAOYSA-N	416.997	3.846	10	20	HHCD	
COc1cccc2cc(CNC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)oc12	1318251476	XHYPVXMKFFVQGN-UHFFFAOYSA-N	423.513	3.650	10	20	HHCD	
CNc1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)s1	17980054	RSRWFYGHGUEWMK-UHFFFAOYSA-N	416.528	3.734	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3csc4c3CCCC4)CC2)cc1	6803888	XLOZDHKYNFHRAM-UHFFFAOYSA-N	413.587	3.578	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Oc2ccncc2)cc1	51782473	CXFXYHWVOFZBMW-UHFFFAOYSA-N	416.481	3.729	10	20	HHCD	
COc1ccc(SCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	65561229	GBTFQJJNHXMYGT-QGZVFWFLSA-N	400.544	3.891	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)CC2)cc1	97494672	FFXGUFLOARKOOU-KRWDZBQOSA-N	417.500	3.705	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3coc(-c4ccccc4)n3)CC2)cc1	106058596	NBKVFCFFCPVXNW-UHFFFAOYSA-N	423.538	3.932	10	20	HHCD	
C[C@H](c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1)N1CCOCC1	541092356	DHJUKYWBVOWQMF-QGZVFWFLSA-N	410.518	3.577	10	20	HHCD	
c1ccc(-c2nc(N3CCOCC3)sc2CNCc2ccc3c(c2)CCO3)cc1	725853340	OTLUPDKRWFYNSS-UHFFFAOYSA-N	407.539	3.871	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1	728233746	LACJFDLUOSIUMW-UHFFFAOYSA-N	405.420	3.828	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)/C=C/c3nc4ccccc4s3)cc2F)CC1	730193174	YBESEULDVLMUKX-MDZDMXLPSA-N	424.545	3.907	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1	730902427	HPJKADJLFVTYTL-CJNGLKHVSA-N	404.438	3.980	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(OC(F)F)c3)cc2)CC1	731132299	YTLZWIUWTAMWLH-UHFFFAOYSA-N	417.456	3.779	10	20	HHCD	
Cc1cc(C(=O)NCC2CCN(CCN(C)C)CC2)c(C)n1-c1cccc(Cl)c1	733882723	WQVHKPOCQPZIGP-UHFFFAOYSA-N	416.997	3.751	10	20	HHCD	
COc1ccc(N2CCCN(Cn3ncc4c(Br)cccc43)CC2)cc1	735484324	RAVVQYIUSFJWMO-UHFFFAOYSA-N	415.335	3.977	10	20	HHCD	
O=C(Cc1cccc(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	735518202	HFPXTFCIPMIADM-GOSISDBHSA-N	404.304	3.905	10	20	HHCD	
CCc1ccc([C@@H]2COCCN2C(=O)NC2CCN(c3ccc(OC)cc3)CC2)o1	737049926	ROGZDNQJOWXDBE-NRFANRHFSA-N	413.518	3.603	10	20	HHCD	
CCOc1cc(CCCNC(=O)NCc2ccc(N3CC=CC3)cc2)ccc1OC	740917137	HTOLKAXZXUPFQI-UHFFFAOYSA-N	409.530	3.902	10	20	HHCD	
O=C(Nc1nc2c(s1)COCC2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743160988	BPPYMPFTNRHCFP-LBPRGKRZSA-N	424.473	3.608	10	20	HHCD	
CC(C)Cn1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	743222423	SBXXDFJTJGJDPR-HNNXBMFYSA-N	407.465	3.931	10	20	HHCD	
Cc1nc(-c2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cc2)cs1	743958340	ROVLTLXCTPRJBA-UHFFFAOYSA-N	421.522	3.958	10	20	HHCD	
CCOCCNC(=O)CSc1ncc(-c2ccc(Br)cc2)n1CC	753356579	DPBFDMAKKJLPRR-UHFFFAOYSA-N	412.353	3.577	10	20	HHCD	
Cc1ccc([C@H](C)NCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	754660197	RPUQBBLUMRIIFU-INMHGKMJSA-N	419.566	3.776	10	20	HHCD	
Cc1cc(C(=O)N2CCOCC2)ccc1N(C)Cc1cc(C(C)(C)C)cc(O)c1O	754767333	XDWIWEACGAXSLI-UHFFFAOYSA-N	412.530	3.813	10	20	HHCD	
COc1ccc(OC)c([C@H](C)NC(=O)CN(Cc2ccco2)Cc2ccccc2O)c1	756325849	AVAFONRKEWCTBG-KRWDZBQOSA-N	424.497	3.882	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1cc(Br)c(F)cc1O	756419688	WQCZVJUQAISACB-LLVKDONJSA-N	401.320	3.982	10	20	HHCD	
COc1cc2c(cc1CN[C@@H]1CCCN(Cc3cc(Cl)ccc3O)C1)OCO2	759153868	NXRVBYHYGAUVEV-QGZVFWFLSA-N	404.894	3.537	10	20	HHCD	
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccc(N2CCCCC2)cc1	759693183	TYIDWTSRPRFNPR-GOSISDBHSA-N	409.530	3.907	10	20	HHCD	
COc1ccsc1S(=O)(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1	760304908	LZMJEWBDXRLWEC-UHFFFAOYSA-N	409.514	3.639	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	760309971	NVFKNTFEPGLGDZ-SIKLNZKXSA-N	424.541	3.835	10	20	HHCD	
CSc1nc(C)c(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)c(O)n1	761747482	YTPRYXXEUVOANO-UHFFFAOYSA-N	413.499	3.673	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3ccc(-n4cncn4)cc3)cc2F)C[C@@H](C)O1	765126076	HGWLZHBRMIUDBC-KSZLIROESA-N	409.509	3.871	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1	765308189	RFDJHLXLYVGVHW-UHFFFAOYSA-N	409.559	3.987	10	20	HHCD	
CC(C)CCN1CCC(CNC(=O)NCc2cccc(Br)c2O)CC1	765539992	SFDLBQJTMCAAQY-UHFFFAOYSA-N	412.372	3.712	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](C)CC(=O)Nc3cccnc3Cl)CC2)cc1	765638433	MMJZOUJAENSKAO-OAHLLOKOSA-N	402.926	3.719	10	20	HHCD	
C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(-n2cnnn2)c1	766236443	DJFOBRYSIHOJBI-RDJZCZTQSA-N	414.460	3.583	10	20	HHCD	
CCc1nn(C)c(Cl)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	767391281	WWAYMDNSPQFCLJ-UHFFFAOYSA-N	412.868	3.636	10	20	HHCD	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)ccc21	767689976	LHMVZXHDTGFUJV-UHFFFAOYSA-N	415.515	3.796	10	20	HHCD	
O=C(NC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1)c1ccccc1	768220968	VHYNWBFJGKHKKE-UHFFFAOYSA-N	422.529	3.980	10	20	HHCD	
CCN(CC)c1ccc(CN2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1	768237243	LXZLBYBUPLUWQF-UHFFFAOYSA-N	411.546	3.508	10	20	HHCD	
COc1cc(Br)cc(CN(C)CCCNC(=O)OC(C)(C)C)c1O	769462940	MCCPRFOTRAHJMO-UHFFFAOYSA-N	403.317	3.510	10	20	HHCD	
CC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1NC(=O)OC(C)(C)C	769485232	LZZPUVRQDINTOQ-PZJWPPBQSA-N	403.567	3.648	10	20	HHCD	
CCN1CCN(c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)CC1	769849515	USMDEBLJDBYREO-UHFFFAOYSA-N	413.465	3.648	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(Br)cc(Br)c2)c1O	773475729	CFLXMWZEXPXQGT-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1)c1ccc(N(C)C)cc1	773845920	KUCBTULVXUGMPN-MRXNPFEDSA-N	404.470	3.756	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1O	774824135	XZNPHSPASNRGLT-UHFFFAOYSA-N	414.245	3.686	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)c1	775370977	YIFMSMURRHKVDY-ZIAGYGMSSA-N	421.335	3.861	10	20	HHCD	
CC[C@H](NCc1cccc(NC(=O)COC)c1)c1cc(Br)ccc1O	775487691	NTNXLSNTCHZEKP-KRWDZBQOSA-N	407.308	3.981	10	20	HHCD	
C[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(N2CCCCC2)c(F)c1	777676165	IKCMHZZLKLAZAU-MRXNPFEDSA-N	412.509	3.594	10	20	HHCD	
COc1ccccc1N1C(=O)/C(=C/c2cc(Br)nn2C)SC1=S	778247805	MRYDNLVJWNNCPT-GHXNOFRVSA-N	410.318	3.597	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2cccc(NS(C)(=O)=O)c2)c1O	779004707	YCDAAWUBKCIEJB-GFCCVEGCSA-N	413.337	3.685	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(C)=O)c(Cl)c1	783302819	IAOUQJSFARJRNO-UHFFFAOYSA-N	401.894	3.596	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)cc1	784025861	LUTQVWBKFQPOAV-UHFFFAOYSA-N	410.392	3.711	10	20	HHCD	
COCc1noc([C@H](C)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n1	784156071	IMMKELQXDDEFOY-AWEZNQCLSA-N	402.495	3.755	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccccc1OC1CCCC1	787209235	ODZSKBLZDXHFRO-UHFFFAOYSA-N	423.557	3.739	10	20	HHCD	
COCCS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)cc1	788782524	JXTXLPZBOYSXLN-ZDUSSCGKSA-N	417.449	3.682	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(c4cncc(F)c4)CC3)c2C)cc1	791251491	ZBRWKHLBWCCSGX-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
Cc1nc2ccccc2n1C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1	793298380	FILIMQKEYHVTNN-UHFFFAOYSA-N	403.574	3.934	10	20	HHCD	
Cc1cc(C(=O)NCC2(S(C)(=O)=O)CCC2)c(C)n1-c1ccc(C(C)C)cc1	793996626	ALLVGBYZLZJVNG-UHFFFAOYSA-N	402.560	3.915	10	20	HHCD	
OCC1CCN(c2ccc(CNC(=S)NCCCCC(F)(F)F)cc2)CC1	794973309	OOIPYQKQXKLHMN-UHFFFAOYSA-N	403.514	3.592	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(NCc3cc(Cl)cc([N+](=O)[O-])c3O)cc2)C[C@H](C)O1	798082933	HIBUAOLWYDKLED-STQMWFEESA-N	419.865	3.815	10	20	HHCD	
FC(F)(F)Cn1nnc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1	799299671	BGXTXIJMDBVYRJ-AWEZNQCLSA-N	424.452	3.570	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](Cn1ccccc1=O)c1ccccc1	799885875	PKUFSAYDZNESIF-HSZRJFAPSA-N	416.525	3.689	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H](C(N)=O)c3ccccc3)cc2Cl)C1	799995189	ZIEOETSLDNGZEK-YWZLYKJASA-N	414.937	3.602	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1F	801015605	GBPZIOAINNXUKF-UHFFFAOYSA-N	402.470	3.964	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H](O)c2cccc(Br)c2)c1O	801733689	WHLPOTJWHUGKTF-CQSZACIVSA-N	401.644	3.540	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCc1cnccn1	802068374	CCAHOQSSERZSSH-UHFFFAOYSA-N	401.518	3.841	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(CC2CC2)n1Cc1cccs1	802700459	RLCBLINNRINCIW-UHFFFAOYSA-N	423.586	3.813	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H](C)Cc3cncc4ccccc34)CC2)cc1F	805188968	LVQHSZQQINIEDL-QGZVFWFLSA-N	407.489	3.910	10	20	HHCD	
COc1cccc(CNCc2c(F)ccc(I)c2F)c1O	809740368	WHEHPBVHAODUBM-UHFFFAOYSA-N	405.182	3.573	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C3(c4cccc(Cl)c4)CC(=O)C3)CC2)cc1	810181179	FJZISTLAQHCLRS-UHFFFAOYSA-N	412.917	3.688	10	20	HHCD	
CC(C)c1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n(-c2ccccc2)n1	810387590	BEYFSEIVQJCEOE-QGZVFWFLSA-N	419.529	3.878	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCCN4c5ccccc5C[C@@H]4C3)CC2)cc1	812023708	BSWFZRIZRNDULL-JOCHJYFZSA-N	420.557	3.511	10	20	HHCD	
CON(C)C(=O)C1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	812870515	KVSDLOMZOIZFLO-UHFFFAOYSA-N	409.490	3.772	10	20	HHCD	
Cc1ccccc1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	822205252	PVLKTXWSWSZUOI-UHFFFAOYSA-N	400.390	3.609	10	20	HHCD	
Cc1ccn2c(CN3CCN(Cc4c(O)ccc5ccncc45)CC3)c(C)nc2c1	835030829	HTHVQNUCGSLBQC-UHFFFAOYSA-N	401.514	3.523	10	20	HHCD	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	881232290	QJCYWEGGHRRLRQ-FHSNZYRGSA-N	406.438	3.925	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1ccccn1	913362947	ZDXBHYSZESTQDJ-PTNGSMBKSA-N	404.538	3.868	10	20	HHCD	
C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@H]1C[C@H]2CC[C@H]1C2	916828515	BXVVLQCBRYVVDJ-WFTHSTBKSA-N	418.449	3.925	10	20	HHCD	
Cc1ccc(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1	917084633	XOVDRDHEQSNRJT-OALUTQOASA-N	413.537	3.809	10	20	HHCD	
COC(=O)CCOc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1	917846558	USMIEEKNUVOXGF-UHFFFAOYSA-N	424.525	3.614	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3cccc(N4CCOC4=O)c3)c2C)cc1	918623451	UYJAEYUGDFCHGU-UHFFFAOYSA-N	419.481	3.989	10	20	HHCD	
Fc1cc(CNCc2cc3ccccc3o2)ccc1N1CCN(c2ncccn2)CC1	920180044	IQJZGWNNSGSKBM-UHFFFAOYSA-N	417.488	3.978	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	920921620	NMYMXFPACYBDNH-HYBUGGRVSA-N	424.589	3.967	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)c(C)n1-c1ccccn1	920962120	OYWYEJVJOHFDEL-MRXNPFEDSA-N	404.470	3.937	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(Br)c(F)c1)c1ccc(N2CCOCC2)cc1	921284315	WXBLNNWPCQOZQI-CYBMUJFWSA-N	407.283	3.916	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1N1CCCC1=O	1115897107	TZQRNNXCFACKJC-UHFFFAOYSA-N	418.541	3.598	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2F)CC1	1255466782	BOEWIYNLZMUEEZ-RTBURBONSA-N	420.573	3.503	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)N(CC)CC)cn2)cc1F	1318621148	KWOLVPXHNSFSQC-UHFFFAOYSA-N	408.543	3.710	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H]4CCCC[C@@]43c3ccccc3)nc12	1324255522	NOCXXNGBLJXJPE-GAJHUEQPSA-N	406.486	3.513	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNC1(C2CC2)CCOCC1	1325600737	HAWIFFFETHCDKK-UHFFFAOYSA-N	405.130	3.966	10	20	HHCD	
CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccc1O	1330048568	LNRFQCDKIZVEFO-UHFFFAOYSA-N	415.538	3.755	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC([C@H](O)c4ccc(F)cc4)CC3)cc2F)CC1	1337033580	ZWCCTTGVWFAOJV-XMMPIXPASA-N	415.528	3.662	10	20	HHCD	
Cc1nc(CN2CCN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)CC2)oc1C	303309003	JVOKUGNNDCKCLL-UHFFFAOYSA-N	417.513	3.529	10	20	HHCD	
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	110562973	NZMCIEVHEOUKIU-YADARESESA-N	423.557	3.604	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1	544635192	FRZFKCCBHKIYHQ-UHFFFAOYSA-N	415.906	3.777	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccccc2OC(C)C)n(C)c2ccccc12	550745448	IFUSOXXQTIJUNR-KRWDZBQOSA-N	407.514	3.768	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(-n2nnnc2SC)c1	801611119	DBSYIFOCGSVRSI-UHFFFAOYSA-N	412.519	3.924	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccc(N(C)C)cc1	807676626	HWEHMYKLRKLQEO-CYBMUJFWSA-N	408.329	3.895	10	20	HHCD	
COC[C@@]1(CNCc2cc(Cl)cc(OC)c2O)CCCN1C(=O)OC(C)(C)C	809716152	QURIVSONPFUQGR-FQEVSTJZSA-N	414.930	3.560	10	20	HHCD	
Cn1c(=O)c(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc2ccccc21	813839361	YFTHKZOWGKZGHX-UHFFFAOYSA-N	417.465	3.749	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(OC)c(Br)c3)CC2)cc1	726562645	RKNQRGHSLIXDBM-UHFFFAOYSA-N	419.319	3.865	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c(O)c1O	727004322	SKMLNVXKAUCGDT-FQEVSTJZSA-N	423.490	3.799	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	726237692	ZADYMKCVWKNDPC-UYAOXDASSA-N	419.447	3.897	10	20	HHCD	
Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)cc12	727241792	GPGKVHINQBVKHJ-UHFFFAOYSA-N	419.919	3.854	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1	728984121	LIECKAFXIYMAAN-CYBMUJFWSA-N	423.435	3.908	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](NC(=O)CC(C)C)c3ccccc3)CC2)cc1	727382478	LEMKNISFVGOAKY-DEOSSOPVSA-N	423.557	3.684	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCCc4cc(OC)ccc4C3)CC2)cc1	728751168	KIKWPHQMIJMDBO-UHFFFAOYSA-N	409.530	3.831	10	20	HHCD	
C[C@@H]1SCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]1C	735682803	YHKOKNGDJCYFTC-KGLIPLIRSA-N	417.497	3.577	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc2)CC1	731049920	WNCYUPRKPYJVFA-UHFFFAOYSA-N	411.506	3.742	10	20	HHCD	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCCSc1nccs1	733895383	BDDSNPHQODNYHS-UHFFFAOYSA-N	409.461	3.642	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(OC)c2C)cc1F	731408299	JDXNKWLNCPVIJX-UHFFFAOYSA-N	401.482	3.552	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc(Cl)c2c(c1)OCO2	919895195	FWBKSCCDFRGNGR-UHFFFAOYSA-N	413.905	3.853	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c([N+](=O)[O-])c1	915222236	IJDQOKHHBRBKIO-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
Cc1noc(C)c1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	748636526	LXFKCBIWOZLXCP-LCYFTJDESA-N	407.542	3.973	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	918003399	VWIZNLJDNNHVEA-IFMALSPDSA-N	408.546	3.585	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1	742952611	NXPISQVXHWLBMN-UHFFFAOYSA-N	423.391	3.903	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)ccc21	746762842	PQMCUMLLAKLFLI-NRFANRHFSA-N	408.502	3.508	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(-c2ccccc2)n1	742800437	RDHBKDWQETUSIR-MRXNPFEDSA-N	412.440	3.873	10	20	HHCD	
Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nnn1-c1cccc2ncccc12	743716568	SAKDAFKKMMHRFX-UHFFFAOYSA-N	413.481	3.638	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3sccc3-c3ccccc3)CC2)cc1	742927230	KRSGKEGSWHYHKO-UHFFFAOYSA-N	421.566	3.976	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C	743666793	RAGWRESBNBBRND-QUCCMNQESA-N	418.582	3.944	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Oc2ccccc2)ccn1	745989644	XDQAQBGVVQKYEI-UHFFFAOYSA-N	421.472	3.904	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCOC2)c(C)n1-c1ccc(Br)cc1	921216134	PXQYOHUXZMJLNX-CQSZACIVSA-N	406.276	3.619	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(Cl)c(F)c1	759853278	PZCKQOBUCIAHLG-QGZVFWFLSA-N	402.249	3.547	10	20	HHCD	
Cc1cc(Br)ncc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	754457139	MIQLEGBJJFJLMS-UHFFFAOYSA-N	419.323	3.653	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)c(C)n1-c1cccc(Cl)c1	753665258	MPZXHBMOZSVYLR-ICSRJNTNSA-N	400.906	3.958	10	20	HHCD	
CC(C)Cn1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C(F)F	758158452	HUOQBWCUJCWJTO-UHFFFAOYSA-N	406.477	3.586	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(N)cn2)c(C)n1-c1ccc(OC(F)F)cc1	753888280	BJULBVBYXOYZPF-UHFFFAOYSA-N	415.396	3.712	10	20	HHCD	
Cc1ccncc1/C=C/C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	752481970	UKKGGIOGLZIWRE-ZRFOIIEFSA-N	424.545	3.851	10	20	HHCD	
COc1ccc(N(C)CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)cc1Cl	757855486	CXGRYAUQECRXIF-AWEZNQCLSA-N	406.910	3.988	10	20	HHCD	
CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	751241291	ZSCLSFDJRRZTKG-SFHVURJKSA-N	416.587	3.887	10	20	HHCD	
C[C@@H](COc1ccc(F)cc1F)NC(=O)NCc1cccc(Br)c1O	764766932	LVPCKMIUUKZQQG-JTQLQIEISA-N	415.234	3.700	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(N2CCCCCC2)nc1	765750191	AOEBIMUNJPPMFR-UHFFFAOYSA-N	404.308	3.860	10	20	HHCD	
COc1cc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1SC	765978012	ASZYXGNKZAMQBA-MRXNPFEDSA-N	420.600	3.503	10	20	HHCD	
COc1ccc(S(=O)(=O)NCc2cccc(Br)c2O)c2ccccc12	766201374	RNLBSIKGODROKO-UHFFFAOYSA-N	422.300	3.795	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(Br)s1	760382860	UCPLGGDODQNYRV-UHFFFAOYSA-N	413.312	3.725	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	762262144	QNDFHHKPVFGSCX-UHFFFAOYSA-N	407.426	3.591	10	20	HHCD	
CS(=O)(=O)CC1(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CC1	767200183	TXOSOMQOOUCXCF-QGZVFWFLSA-N	406.573	3.646	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCOC4(CCCCC4)C3)CC2)cc1	769093564	CCAYZTWKIXKOKP-IBGZPJMESA-N	401.551	3.845	10	20	HHCD	
C[C@@H](CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)N(C)Cc1ccccc1	761953979	JMRYTKGPVMMWET-INIZCTEOSA-N	415.921	3.720	10	20	HHCD	
O=C(c1cccc(Cl)c1)N1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1	769056231	QOQVBAINAUEEES-UHFFFAOYSA-N	413.949	3.525	10	20	HHCD	
O=C(COc1ccc(Br)cc1)NCc1cccc(Br)c1O	765756970	PEIIHHWQXUWGDI-UHFFFAOYSA-N	415.081	3.612	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@@H](c3nnc4ccccn34)C2)c1O	768219348	XACNGYDMPNAUML-CYBMUJFWSA-N	417.307	3.586	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)n2)ccc1F	775161787	STECMHNNPBTUNA-UHFFFAOYSA-N	420.413	3.817	10	20	HHCD	
CCc1ccnc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	775538132	HTIADOCIZWRBCU-FQEVSTJZSA-N	412.534	3.706	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccnc(OCCN(C)C)c2)c1O	779041084	OIDMTDCXUOKYIM-CQSZACIVSA-N	408.340	3.649	10	20	HHCD	
COc1ccc([C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C(F)(F)F)cc1	775989286	GVXGWIXVKSIAIT-IBGZPJMESA-N	423.435	3.635	10	20	HHCD	
CC[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(Br)ccc1O	775502199	PZFSCXVYUMUYDI-SJCJKPOMSA-N	416.262	3.914	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1	779363456	DYMALUNRUDOOJZ-ZIAGYGMSSA-N	414.597	3.570	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1	778231031	FKZUWGXVRPJOHU-UHFFFAOYSA-N	407.442	3.556	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1	775370003	JYMUEJWSTUVLIO-JGVFFNPUSA-N	404.335	3.774	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1C	771267520	VJFGSDAEVJVDOK-UHFFFAOYSA-N	404.514	3.510	10	20	HHCD	
C[C@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccc(N(C)C)cc1	775361228	BTBFCNKEUGTCRO-SFHVURJKSA-N	417.981	3.968	10	20	HHCD	
COc1cc(N[C@@H]2CCCN(Cc3cc(OC)c(OC)cc3O)C2)cc(OC)c1	775724937	RWEMLFPOWQVLIU-MRXNPFEDSA-N	402.491	3.503	10	20	HHCD	
Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783318259	WSBAEFQHXFEMPK-UHFFFAOYSA-N	410.562	3.811	10	20	HHCD	
COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)cc1C	788315674	NZJPEXARIORTMJ-KRWDZBQOSA-N	411.502	3.809	10	20	HHCD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	795997913	LLQXYQFYPYFIPY-OAHLLOKOSA-N	418.440	3.653	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2c(O)ccc(Cl)c2F)C(C)C)cc1	792167030	AAYCJPLCQYDVNI-MRXNPFEDSA-N	424.900	3.793	10	20	HHCD	
O=C(NC[C@H]1CCC(F)(F)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	797466103	DKCOPVSMYSBVSQ-UONOGXRCSA-N	403.420	3.991	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(CNCc3c(O)ccc(Cl)c3F)cc2)C[C@H](C)O1	790955156	BTEQTQMTYLCIFC-KBPBESRZSA-N	406.885	3.724	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C1	794032992	JLJZNHVNUYFKAK-SUQGKYDKSA-N	416.518	3.607	10	20	HHCD	
CCOC(=O)[C@H](NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)[C@@H]1CCCOC1	1320804226	GEKCGTWXAVFHFV-OXQOHEQNSA-N	418.921	3.836	10	20	HHCD	
Cn1ncc2cc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cnc21	1320557365	VNEVKGXKKRVZGZ-UHFFFAOYSA-N	405.892	3.546	10	20	HHCD	
CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)CC2	1814219723	MJIFSTSCEMCFKF-QGZVFWFLSA-N	408.527	3.796	10	20	HHCD	
C/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1831343892	PMPRTZGHGOUAIF-WAQLMLCQSA-N	420.937	3.951	10	20	HHCD	
Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	45917335	OJFXQLJCBJCJHV-UHFFFAOYSA-N	409.461	3.564	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(F)c1	52265554	NLVRQTXMFNWJJJ-UHFFFAOYSA-N	405.445	3.910	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1	97494602	LVGGLUBTQQIDNQ-UHFFFAOYSA-N	423.435	3.745	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CNc3cccc(C(F)(F)F)c3)CC2)cc1	111102618	ZLIRTOXYMXUMQO-UHFFFAOYSA-N	407.436	3.865	10	20	HHCD	
Oc1nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc2ccccc12	301160243	BOEJBUNEVJVXGM-UHFFFAOYSA-N	404.392	3.803	10	20	HHCD	
O=C(Cn1ccc2ccc(Cl)cc21)NCc1ccc(N2CCC(CO)CC2)cc1	302981803	JSEJQHCSVFGSMC-UHFFFAOYSA-N	411.933	3.820	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc4ccc(F)cc4nc3C)cc2F)CC1	303346702	XFVUQLVCDCSYGW-UHFFFAOYSA-N	424.495	3.893	10	20	HHCD	
CCS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	590663309	IUOVQKLUPPQQCZ-UHFFFAOYSA-N	414.527	3.950	10	20	HHCD	
CN(c1ccc(CNC(=O)NC2CCN(CC(F)F)CC2)cc1)C1CCCCC1	726247442	LORJEUCZIWZHSF-UHFFFAOYSA-N	408.537	3.984	10	20	HHCD	
CO[C@@H](C)c1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	727037387	LPMVLXCACCETIM-SFHVURJKSA-N	409.530	3.981	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1	728938538	RLJLXDDGTBNDIO-AWEZNQCLSA-N	409.442	3.807	10	20	HHCD	
C[C@@H](NC(=O)NCCCCCN1CCCCC1)c1ccc(N2CCOCC2)cc1	732243893	UYHQWIPIAKNEMK-HXUWFJFHSA-N	402.583	3.540	10	20	HHCD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	732469733	OJMOWBMUODMGAS-TZIWHRDSSA-N	417.594	3.983	10	20	HHCD	
CN(C)c1ncc(Br)cc1C(=O)NCc1ccc(N2CCCCC2)cc1	733255788	FZHSEQMPASVEGN-UHFFFAOYSA-N	417.351	3.830	10	20	HHCD	
CC[C@@H](NC(=S)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccs1	734373337	ITMSFTLVPIYYJX-SJLPKXTDSA-N	416.616	3.565	10	20	HHCD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	736067559	BIDJUDICVXXEHL-NQIIRXRSSA-N	402.583	3.711	10	20	HHCD	
CCOC(=O)N1[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1c1ccc(C)o1	736474781	LCQJSMMFSGOYBS-MOPGFXCFSA-N	417.481	3.772	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1	737182599	HFKKKRZMQQZTGI-GFCCVEGCSA-N	411.458	3.655	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1	741271518	VBMHCZDNSJKDCA-RDPSFJRHSA-N	424.589	3.622	10	20	HHCD	
O=C(NCCOc1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743505487	YBNPQBCKWAYUBO-INIZCTEOSA-N	405.445	3.635	10	20	HHCD	
CCc1ccc([C@@H](COC)NC(=O)NCc2ccc(N3CCSCC3)cc2)o1	743635719	WBXHVFCDDOUCOD-LJQANCHMSA-N	403.548	3.582	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccncc2Cl)NC(=O)OC(C)(C)C)cc1	744612034	ZNYAAKXDNXIRQJ-GOSISDBHSA-N	418.925	3.797	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H](OC)c3cccc(Cl)c3)CC2)cc1	745913295	WNLDMLDHMHUJRF-NRFANRHFSA-N	417.937	3.958	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)c2C)c1	746284360	WGHNJHYDAYCKBH-GOSISDBHSA-N	407.436	3.686	10	20	HHCD	
Cc1cc(C(=O)N(C)C[C@@H](O)COCCOC(C)C)c(C)n1-c1ccc(Cl)cc1	747417607	HUMYUKAMFBOYEQ-HXUWFJFHSA-N	422.953	3.622	10	20	HHCD	
CCN1CC[C@H](N(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@@H]1C	748964071	OHVZQNIJFSPIBI-LNLFQRSKSA-N	424.536	3.771	10	20	HHCD	
COc1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1[N+](=O)[O-]	751137432	RPGNNFFRQGUVJI-UHFFFAOYSA-N	420.487	3.833	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3C)SC2=S)cn1	751290912	KLOOIHUQJNTPGJ-CXUHLZMHSA-N	402.497	3.822	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(OC[C@H]4CCCO4)CC3)ccc21	751335400	CVUQFWSDRDNGCN-OAQYLSRUSA-N	414.546	3.705	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccccc2Br)C1)c1cc([N+](=O)[O-])ccc1O	756570797	XWZJUYDQCFRFHX-OLZOCXBDSA-N	406.280	3.992	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCC[C@H]3CCCCO3)cc2F)C[C@@H](C)O1	760654897	FEBMCHGVQHLFEF-ZIFCJYIRSA-N	407.530	3.588	10	20	HHCD	
COCCOc1cc(C)ccc1NC(=O)NCc1cccc(Br)c1O	765253422	QYCJQTPMTXPDMR-UHFFFAOYSA-N	409.280	3.810	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H](Cn1cccn1)c1ccccc1	765513306	JJSUALLOCULTLE-QGZVFWFLSA-N	415.291	3.592	10	20	HHCD	
CCCn1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C1CC1	765867501	WPAIWXDGJJWCRV-SFHVURJKSA-N	416.953	3.924	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)s1	769866842	RJNVSPBFMFIXAZ-HNNXBMFYSA-N	422.597	3.877	10	20	HHCD	
Cc1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)sc1C	770543447	JLODKWMTGQAWBV-KRWDZBQOSA-N	418.563	3.822	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl	772981492	QBKORYXTHMOPHC-MRXNPFEDSA-N	419.928	3.786	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	773740556	OICYNBXWIOJAIX-CRAIPNDOSA-N	414.502	3.801	10	20	HHCD	
CCOc1ccc(C2(CNCc3ccc([N+](=O)[O-])c(OC)c3O)CCOCC2)cc1	774975051	NXBKSJRPWZSVOM-UHFFFAOYSA-N	416.474	3.546	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(C)c(C)c1O	775291914	QYGQYIQDNKQQFT-UHFFFAOYSA-N	415.265	3.789	10	20	HHCD	
CC[C@@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1O	775491287	HOZNHFKOVORLAB-MRXNPFEDSA-N	417.358	3.859	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H](C)Cc1ccccc1OC	777828642	NNZJPMJEROASAJ-OAHLLOKOSA-N	419.905	3.825	10	20	HHCD	
CC(C)N1C(=O)C[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1	778929507	MKIUMYJKLOECRT-JLTOFOAXSA-N	420.868	3.505	10	20	HHCD	
CC(=O)c1ccc(N2C(=O)/C(=C\c3cc(Br)nn3C)SC2=S)cc1	779205309	VUGWHMPYIWOOQQ-NTUHNPAUSA-N	422.329	3.791	10	20	HHCD	
O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779519399	CSQRKCFLAVOYSW-QHHAFSJGSA-N	418.852	3.781	10	20	HHCD	
CCOc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1OC	784058892	BAZBSRBLZBJQSV-UHFFFAOYSA-N	411.502	3.981	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCc1ccc2c(c1)CCO2	784744026	WBGONVZBPDFPJR-UHFFFAOYSA-N	414.571	3.616	10	20	HHCD	
CCOc1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1	785745154	OUDBVYSVANTCML-SFHVURJKSA-N	411.546	3.767	10	20	HHCD	
CC(C)n1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1	800636020	DHECWVSVYWLIFY-OAHLLOKOSA-N	417.941	3.609	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3ccc(-c4cnn(C)c4)s3)SC2=S)cn1	800793311	OYYICLSVUWORIL-UUASQNMZSA-N	401.542	3.771	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1	801631924	FPNHORUKEFWRMN-UHFFFAOYSA-N	408.502	3.927	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N(Cc3ccc(-n4cncn4)cc3)C3CC3)ccc21	802061741	SWDJLENMMFFRRO-UHFFFAOYSA-N	416.529	3.524	10	20	HHCD	
CCCC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(OC)cc1	803662344	UYOZFWWEDOXLBS-HXUWFJFHSA-N	415.509	3.564	10	20	HHCD	
CC(C)(C)OCCCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	803753586	VQCTYAZRKANFJM-UHFFFAOYSA-N	423.465	3.539	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3nc(C4CCOCC4)cs3)CC2)cc1F	806727122	OIJVXVVPBGNPBX-UHFFFAOYSA-N	420.510	3.539	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C	807192003	MWGVLDRCPGSEBH-KSFYIVLOSA-N	411.521	3.680	10	20	HHCD	
CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1	808097557	JUTMVSQBYFZRFD-UHFFFAOYSA-N	411.545	3.809	10	20	HHCD	
O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc(Cl)c1Cl	808113501	BGIKAGTXVRJLBI-UHFFFAOYSA-N	414.625	3.991	10	20	HHCD	
COc1ccc(C[C@](C)(O)CN[C@@H](C)c2cc(Br)ccc2O)cc1OC	810256162	WLHNHPWAOGCAAM-RBZFPXEDSA-N	424.335	3.816	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1nc2c(s1)CCCC2(C)C)c1ccc(N(C)C)cc1	810387793	HMSDQHGNWBRVCC-ZDUSSCGKSA-N	400.548	3.639	10	20	HHCD	
COCCOCc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	812736824	DCKBRSPXZKHCAI-GOSISDBHSA-N	402.510	3.676	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1	813534484	XDXMVXAPSINZNF-UHFFFAOYSA-N	409.530	3.835	10	20	HHCD	
CCNC(=O)c1ccc(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1	916220897	GVGBXGSIFKXPOI-UHFFFAOYSA-N	418.541	3.886	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)s1	917861415	SIFWEQRTDFGMCB-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1	918228335	IIOAIBHUZYNYLS-UHFFFAOYSA-N	408.546	3.767	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1O	1116165306	WXTMSKYKMZBZET-IBGZPJMESA-N	406.486	3.522	10	20	HHCD	
C[S@](=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	1318964413	QYYDSGIERSMUOA-LJAQVGFWSA-N	423.485	3.816	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1	1337826474	MRZPIFFMJMGWFV-ACRUOGEOSA-N	419.477	3.645	10	20	HHCD	
CC(=O)C[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1846328457	LPPXEVFHOQPLMC-QGZVFWFLSA-N	421.541	3.526	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1	9932615	MHGZHQPNQKEEQE-GOSISDBHSA-N	409.530	3.695	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)Nc1cc2c(cc1Cl)OCCCO2	10057102	AMFKGGSPNYFADP-UHFFFAOYSA-N	402.878	3.901	10	20	HHCD	
COc1ccc(Br)cc1CN(C)Cc1ccc(N2CCOCC2)cc1	15571787	JWRCVYJJRABKKE-UHFFFAOYSA-N	405.336	3.926	10	20	HHCD	
COc1cccc(CNC(=O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)c1	96982665	VVFSRHKSJGGJIF-UHFFFAOYSA-N	424.522	3.851	10	20	HHCD	
COc1ccc(N2CCCN(Cc3cc4c(cc3Br)OCO4)CC2)cc1	195668994	ADQDDHLHGUAKAM-UHFFFAOYSA-N	419.319	3.899	10	20	HHCD	
COCCCOC1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1	303915474	NFNIJCVLDUDOED-UHFFFAOYSA-N	400.519	3.760	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)c1	726604004	UEFVLLLTAWEUJC-UHFFFAOYSA-N	410.486	3.852	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)oc1C	726626591	DJAGTSZQHGGLLS-CXUHLZMHSA-N	419.480	3.798	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3cc(Cl)c4c(c3)OCO4)SC2=S)cc1	726626758	FNXNZDNLJFLMCT-VGOFMYFVSA-N	418.883	3.573	10	20	HHCD	
C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1	726960737	FFAQHOWUAXJJHS-GOSISDBHSA-N	421.541	3.810	10	20	HHCD	
Cc1cc(C(=O)CSCc2nc(O)c3cnn(C)c3n2)c(C)n1-c1ccccc1	729677566	VCOBPSJZSGVLDC-UHFFFAOYSA-N	407.499	3.593	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)c1	730220780	HJMOCOQMVQTENS-IBGZPJMESA-N	403.530	3.960	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)o1	730932579	MCENRVZPHWIAKZ-UHFFFAOYSA-N	410.498	3.712	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1NC(C)=O	731054648	JCOYEEXYNZQAFH-UHFFFAOYSA-N	423.541	3.948	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1occc1CN1C(=O)Cc2ccccc21	734468147	NUBUKOKPQWRPLY-UHFFFAOYSA-N	403.482	3.673	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1F	734543956	XOKFAJVYZWAUNM-MRXNPFEDSA-N	424.442	3.989	10	20	HHCD	
CCOCCCN1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@H](C)C1	734682925	DXDFRPFAIUZKKE-AUSIDOKSSA-N	416.610	3.564	10	20	HHCD	
O=C(COc1ccccc1C(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1	735517405	AHTHZGTVABDYTR-MRXNPFEDSA-N	409.404	3.998	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1SC(F)(F)F	741097656	UKPLUFUATMSLNQ-UHFFFAOYSA-N	421.444	3.930	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c(F)c1	741136084	CHPNYKPGYXINEY-UHFFFAOYSA-N	405.495	3.965	10	20	HHCD	
CC(=O)c1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	742245575	LSVYUISEAFAINC-UHFFFAOYSA-N	406.404	3.675	10	20	HHCD	
CCOc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c(O)c1	742378432	IIGVINHWXPGAJB-GOSISDBHSA-N	406.429	3.678	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)CCc3ccccc3F)cc2F)CC1	742645305	ORPTWPQWDWGTDI-SFHVURJKSA-N	415.528	3.992	10	20	HHCD	
O=C(NC[C@H]1CC1(Cl)Cl)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743547154	PFNIFXSMSVDYQO-VXGBXAGGSA-N	408.276	3.750	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2nnc(-c3ccccc3)o2)cc1F	749192348	FDVNGELRUSKDHL-UHFFFAOYSA-N	411.481	3.764	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(N3CCOC3=O)c2)cc1	751406829	SEWUWEURSZWGIS-QFIPXVFZSA-N	423.513	3.531	10	20	HHCD	
Cc1ccc(C(=O)NCCN[C@@H](C)c2cc(Br)c(F)cc2O)cc1F	756394416	CYSHCESYWIQBDI-NSHDSACASA-N	413.262	3.822	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)c(F)cc1O	756712408	PUWYCDUTMWYPRR-BMIGLBTASA-N	411.246	3.889	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	757651742	FQBSDUVMCRQCTQ-ZRCGQRJVSA-N	422.573	3.546	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)cc2C)SC1=S	759116442	GOCAELXTWDCTPM-LCYFTJDESA-N	414.346	3.912	10	20	HHCD	
CC(C)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N1CCSc2ccccc21	759591007	BSSFOOMHYAPNQJ-FLJMFPIGSA-N	413.495	3.818	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccn2ccnc2c1	762401867	OZBYBBIQSXBUEO-UHFFFAOYSA-N	403.280	3.534	10	20	HHCD	
C[C@H](NCCCN1CCCO[C@H](C)C1)c1cc(Br)cc(Cl)c1O	762650124	PIBMZENZBZEXHH-OLZOCXBDSA-N	405.764	3.960	10	20	HHCD	
C[C@H](NC(=O)N1CCOC2(CCCCCC2)C1)c1ccc(N2CCOCC2)cc1	763593073	DAVOXDFEFYCFRA-IBGZPJMESA-N	401.551	3.719	10	20	HHCD	
C[C@H](OC[C@@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	764865188	UUVGWTDAVOAMKX-MBSDFSHPSA-N	418.965	3.747	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1cccc2ccccc12)c1ccc(N2CCOCC2)cc1	765471400	DXFRRZNUJUYQCZ-AUSIDOKSSA-N	406.526	3.767	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ns1	767967688	BIELWJLSIYPGES-QGZVFWFLSA-N	404.536	3.513	10	20	HHCD	
O=C(NC1CCN(Cc2cc(Br)ccc2O)CC1)c1ccc(F)cc1	768249741	JGCVTDKHJXCPRP-UHFFFAOYSA-N	407.283	3.688	10	20	HHCD	
O=C(c1ccn(-c2ccc(F)cc2F)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	768324087	QJOVDHIQLHSKBR-QGZVFWFLSA-N	413.424	3.678	10	20	HHCD	
COc1ccc(CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC(C)C)cc1OC	768446621	LOYBCBVFWWKNKD-HXUWFJFHSA-N	401.503	3.536	10	20	HHCD	
O=C(CCOc1ccccc1F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768913395	ZHLIWYHRIFPRIU-KRWDZBQOSA-N	406.885	3.734	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC(OC[C@@H]3CCCO3)CC2)ccc1N1CCCCC1	769190465	WBUMVPQYAONGOU-FQEVSTJZSA-N	403.523	3.745	10	20	HHCD	
CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc(N(C)C)c(F)c3)CC2)cs1	770290049	XDBVLHYPMUTGJW-INIZCTEOSA-N	406.571	3.764	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C(=O)OC(C)(C)C	772466191	XNDRXEDBFJTDSW-WMZOPIPTSA-N	404.555	3.682	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1nc(-c2cccs2)cs1)c1ccc(N(C)C)cc1	773846664	NENGUBPEJXYZKN-LBPRGKRZSA-N	400.529	3.754	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(Cl)c(Cl)cc1O	774120606	ASNZYMKDPDPJKB-AWEZNQCLSA-N	422.356	3.937	10	20	HHCD	
CC[C@H]1c2ccsc2CCN1C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	775259394	ISAHQZWNVHYKJA-UTKZUKDTSA-N	413.587	3.771	10	20	HHCD	
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)O1	775499669	JUXAPLXGFSWBSJ-NQIIRXRSSA-N	423.517	3.534	10	20	HHCD	
CC(C)OC(=O)[C@H](C)N(C)Cc1cc(Br)cc(Br)c1O	775726576	UENBHGBXUDPCLD-VIFPVBQESA-N	409.118	3.689	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccncn2)c(C)n1-c1ccc(OC(F)(F)F)cc1	778450323	ZKCRELPBJNXTKD-UHFFFAOYSA-N	419.359	3.822	10	20	HHCD	
CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1	778662316	YJCYJGRFNPOBHG-UHFFFAOYSA-N	410.448	3.692	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(COc2cccc(Br)c2)o1	778925105	HQSJLMGFVKWBNB-UHFFFAOYSA-N	418.243	3.962	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1	779484644	DNIWAONCCHUSSN-UUILKARUSA-N	406.413	3.819	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(CC(=O)N(C)C)CC3)c2C)cc1F	781347592	YWVDLQNJBKMNGF-UHFFFAOYSA-N	413.537	3.915	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc3cc[nH]c23)cc1	782424960	LAUPVTJQNXEZHZ-UHFFFAOYSA-N	416.481	3.994	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(C)c1C(F)F)c1ccc(N)cc1	783486632	QHCUOWIETFRNCP-CYBMUJFWSA-N	413.428	3.673	10	20	HHCD	
Cc1cc2c(Br)ccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c2o1	784877780	LSPVNDMNEXAGIL-UHFFFAOYSA-N	405.200	3.955	10	20	HHCD	
O=C(OCc1cccc(Cl)n1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785412775	MVBFPJUIQSWYEM-UHFFFAOYSA-N	424.887	3.660	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)NC1CCC(c2ccccc2)CC1	787320654	RZEZDFVTNOVQRC-UHFFFAOYSA-N	403.573	3.584	10	20	HHCD	
Cc1cc(C)c(N2CC[C@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)c(C)c1	788803641	IDGWWXRJGHQULK-REWPJTCUSA-N	407.558	3.905	10	20	HHCD	
COc1cc(C)cc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1O	789476245	CGQPEFUAHZEGKM-UHFFFAOYSA-N	407.264	3.938	10	20	HHCD	
CN1CCC[C@@H](N(C)C(=O)c2ccc(NCc3c(O)ccc(Cl)c3F)cc2)C1	789890662	PVEBYBKMMDIWMF-MRXNPFEDSA-N	405.901	3.963	10	20	HHCD	
CCOc1c(Cl)cccc1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	790514882	VJSUENNXXVQBOD-INIZCTEOSA-N	402.922	3.995	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cn2ccc3ccccc3c2=O)cc1	790901705	JMJUFTFGSRKLON-UHFFFAOYSA-N	417.431	3.659	10	20	HHCD	
Cc1cc(Br)ccc1NC(=O)CNCc1c(O)ccc(Cl)c1F	790945990	PYGUPEBFGJIIOQ-UHFFFAOYSA-N	401.663	3.984	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc([N+](=O)[O-])c1OC	793656855	NQTXBBKMWUGXHB-UHFFFAOYSA-N	409.236	3.734	10	20	HHCD	
Cc1cc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1C=O	793687709	AHYYHMUBAFBQCG-LJQANCHMSA-N	400.906	3.869	10	20	HHCD	
CC(=O)N1CCC[C@H](CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	794023712	VQXCAPAUNXOWQT-GOSISDBHSA-N	401.938	3.665	10	20	HHCD	
CCOC1(C)CCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	794623526	FMYGTKILKPLFFI-MRXNPFEDSA-N	420.509	3.680	10	20	HHCD	
CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	794831188	OGZFQAYCFXLWPO-IAGOWNOFSA-N	409.546	3.958	10	20	HHCD	
COC(=O)C[C@](C)(NCc1cc(Cl)cc(C(C)=O)c1O)c1cccc(OC)c1	796035358	VHPNZXHNDYIJEH-NRFANRHFSA-N	405.878	3.825	10	20	HHCD	
CCn1ncc2ccc(NC(=O)N(CC(=O)O)Cc3cc(Cl)ccc3O)cc21	797739476	KOIWFNSWBWSFMQ-UHFFFAOYSA-N	402.838	3.534	10	20	HHCD	
O=C(NC[C@H]1CCCN1C1CCCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	798120341	RAFNSGSCIAKHCH-YADHBBJMSA-N	415.578	3.880	10	20	HHCD	
COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1	800572424	XYSBIYVBRYPHAX-OAHLLOKOSA-N	415.921	3.840	10	20	HHCD	
Cc1c(NC(=O)NCCCSc2nccs2)nnn1Cc1ccccc1F	801805236	UUMOHBLESLUFHT-UHFFFAOYSA-N	406.512	3.534	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1F	804853854	WOCVPHABKVGFGS-OAHLLOKOSA-N	403.473	3.647	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)n1	804923410	VCOQXMCIZUILJF-UHFFFAOYSA-N	420.300	3.896	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc(C(F)F)cc3)cc2)CC1	805023552	JHZJGTPDCDUWQF-UHFFFAOYSA-N	415.484	3.793	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1cccc(Cl)c1Cl	806280000	HBLAGQKVIUTOMX-JTQLQIEISA-N	418.371	3.926	10	20	HHCD	
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)c2ccccc12	807900101	AFLHFNGPLXZRHN-LBPRGKRZSA-N	402.447	3.547	10	20	HHCD	
COC(=O)c1c(F)ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1F	810337533	RPZKUHAFOADXNJ-UHFFFAOYSA-N	419.428	3.504	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)c1ccc(N(C)C)cc1	813722427	SHPIFVNNUFECGA-KZULUSFZSA-N	424.314	3.748	10	20	HHCD	
COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	820262127	ULBIYCZQHBUVRB-HXUWFJFHSA-N	411.889	3.657	10	20	HHCD	
CCOC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc([N+](=O)[O-])c1	914505931	TWECVZAGKMXEJV-UHFFFAOYSA-N	413.474	3.888	10	20	HHCD	
O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)NCc1ccc(N2CCCC2)cc1	915082385	HBPBJRHJWYZNTP-UHFFFAOYSA-N	422.554	3.735	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1F	915220087	CURVFKNQLNSUEX-UHFFFAOYSA-N	424.475	3.776	10	20	HHCD	
CCCOc1c(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cccc1OCC	915849855	GKLQNTOGIBFUMQ-NTCAYCPXSA-N	409.529	3.940	10	20	HHCD	
COc1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(OC)c1OC	917642605	PPCCKXMTISUSOF-UHFFFAOYSA-N	412.530	3.902	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1	918598075	YXUGRFDQOASYHO-UHFFFAOYSA-N	421.472	3.958	10	20	HHCD	
CN(C)[C@H]1CCCC[C@@H]1NCc1cc(Br)cc(Br)c1O	1116476100	KREUJSGNJQOZAR-KBPBESRZSA-N	406.162	3.880	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c1	1321841762	XOVAAPJBYRFHFU-UHFFFAOYSA-N	422.525	3.904	10	20	HHCD	
C[C@H]1CN(Cc2ccc(C(=O)Nc3c(Cl)ccc4nonc34)cc2)C[C@@H](C)O1	1323481608	CFDAUKSPAVHAQS-BETUJISGSA-N	400.866	3.738	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc([N+](=O)[O-])cc1Br	1324151276	TXXRNGZWKUPNII-UHFFFAOYSA-N	420.307	3.826	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)c(C)n1-c1ccccn1	1327676361	WFLRGMCKOPVDRB-HNNXBMFYSA-N	400.523	3.722	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1	16134602	FPKFAYGPKWRZRR-UHFFFAOYSA-N	411.483	3.918	10	20	HHCD	
CN(C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1CCCc2ccccc21	96971105	RVTNKPZVKHSVBK-JTHBVZDNSA-N	408.542	3.909	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC([C@@H](O)c4ccccc4)CC3)CC2)cc1	110421987	KSZDFZNQJFPEPO-DEOSSOPVSA-N	423.557	3.819	10	20	HHCD	
CC(C)(C)c1ccc(C(=O)NCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	248196693	QHNLXZAASVQWGV-OAQYLSRUSA-N	424.541	3.627	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1-c1ccc(C#N)cc1	303190270	LYCXPXNGADDWIF-UHFFFAOYSA-N	408.502	3.659	10	20	HHCD	
Cc1nc(CN2CCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)oc1C	303237761	ZBEARKZIDYYCLH-UHFFFAOYSA-N	410.493	3.796	10	20	HHCD	
Cc1c(CNC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)n(C)c2ccccc12	472243587	VEEGPJIFBOZWMZ-FQEVSTJZSA-N	408.477	3.573	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)c2c1	725776212	YSKKPALVSLLJSR-UHFFFAOYSA-N	415.493	3.993	10	20	HHCD	
CCOC(=O)C1CCC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	726245562	PFAXCUPIOXNNJH-UHFFFAOYSA-N	400.475	3.819	10	20	HHCD	
CN(C)CCC1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	726718972	KKJNOFNEWFLING-UHFFFAOYSA-N	424.536	3.630	10	20	HHCD	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1	727251076	UWQLQZJPYWIWQY-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(C)nc3cc(Br)ccc23)c1O	727762476	KDDFNHHFCLUHJE-UHFFFAOYSA-N	401.260	3.950	10	20	HHCD	
COc1ccc(Sc2ccc(NC(=O)C(=O)NCc3ccccc3O)cc2)cc1	728405306	VQSOQJSEMAJZMG-UHFFFAOYSA-N	408.479	3.807	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3nc(-c4ccccc4)n[nH]3)ccc21	728523550	PWOUNQQCXAOHPB-UHFFFAOYSA-N	403.486	3.620	10	20	HHCD	
COc1cc(F)c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	730667257	QYHUDVGWLYKZRQ-AWEZNQCLSA-N	403.454	3.562	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H](c3ccccc3)N3CCC(O)CC3)cc2)CC1	731053475	RIYDDRMRCGXGGD-RUZDIDTESA-N	421.585	3.737	10	20	HHCD	
CC[C@H]1c2ccsc2CCN1C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	732203589	XNCPTXFURKPHOL-QUCCMNQESA-N	414.571	3.971	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2Cc2ccc(C)cc2)c1	733300216	LAKYTXWYRNXPLD-VWLOTQADSA-N	422.569	3.943	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1	734688366	OCYALZFEDJSLBE-GOSISDBHSA-N	418.582	3.850	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3cccc(-n4cncn4)c3)c2C)cc1	735480506	KKIRHMBXOFAAKZ-UHFFFAOYSA-N	401.470	3.613	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)CCCNC(=O)OC(C)(C)C)ccc21	736044443	LDXZWRBTCQHGGW-UHFFFAOYSA-N	417.550	3.891	10	20	HHCD	
C[C@H]1[C@@H](C)N(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCS1(=O)=O	736322149	LDWIUVFMRNEINP-CVEARBPZSA-N	400.504	3.548	10	20	HHCD	
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc(N2CCCC2)cc1	743551966	KKBZWRBLSMQOBL-QHCPKHFHSA-N	406.574	3.950	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)cc1	746402195	UHYOKZHHQIOPGG-UHFFFAOYSA-N	407.898	3.914	10	20	HHCD	
CN(CCOc1ccc(Br)cc1)C(=O)NCc1ccc(N(C)C)c(F)c1	746979350	IVLKAANNGCVQDF-UHFFFAOYSA-N	424.314	3.875	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)oc1C	751127197	XIVAEUXHUJZQOT-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)NC3CCCCCCC3)cs2)cc1	751932784	XNNKHGQUKMXGOR-UHFFFAOYSA-N	401.532	3.702	10	20	HHCD	
CS(=O)(=O)N1CC[C@H](CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	753278231	HPHLGEHPYQXOFL-OAHLLOKOSA-N	401.492	3.505	10	20	HHCD	
COc1ccc2c(c1)CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C2	753286451	MWIZNXVOOCFBQE-RBBKRZOGSA-N	410.514	3.649	10	20	HHCD	
COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-]	754549316	XIGHKEXRCRJSMF-UHFFFAOYSA-N	416.389	3.560	10	20	HHCD	
C[C@@H](NC(=O)NC1CCN(c2cccs2)CC1)c1ccc(N2CCOCC2)cc1	755130741	JZUXMQIVCNQLGH-QGZVFWFLSA-N	414.575	3.614	10	20	HHCD	
O=C(Cc1ccc(F)c(F)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	755196141	BGVDDICDQUULOM-UHFFFAOYSA-N	414.374	3.679	10	20	HHCD	
C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc(Br)c(F)cc1O	756435318	ZKETWTOWQDJSTI-LLVKDONJSA-N	416.312	3.689	10	20	HHCD	
CCc1cc(N2CCC[C@@H](N[C@H](C)c3cc(Br)c(F)cc3O)C2)ncn1	756711751	NESZMDDZHCODAT-TZMCWYRMSA-N	423.330	3.966	10	20	HHCD	
COc1ccc(N(C)CC(=O)NCC2(c3ccccc3)CCOCC2)cc1Cl	757856776	GPYBYGOBKYHNNI-UHFFFAOYSA-N	402.922	3.649	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@H]1CCCN(Cc2ccccc2)C1	759575048	NVNZFIVBJMOKNE-SFHVURJKSA-N	404.605	3.837	10	20	HHCD	
CCN(CC)Cc1nc(C2(NCc3cc(Cl)cc(OC)c3O)CCCC2)no1	761205553	FZBVBLHJYXMSEK-UHFFFAOYSA-N	408.930	3.838	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1	762387579	QUFFBLYXYIMFLO-OAQYLSRUSA-N	412.578	3.609	10	20	HHCD	
O[C@@H](CNCc1ccc(N2CCCCC2)cc1)COc1ccccc1Br	765258818	BAGHAIKLRDEXQZ-IBGZPJMESA-N	419.363	3.969	10	20	HHCD	
Cc1c([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)nnn1-c1ccc(F)cc1	765297092	NNUNSUYMDZIYGW-QGZVFWFLSA-N	423.536	3.774	10	20	HHCD	
CC[C@H](NCCN1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)c(OC)c1	765403867	VOPDQLOYSQCBKW-QFIPXVFZSA-N	413.562	3.575	10	20	HHCD	
CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc2c(cc1O)CCCC2	768443986	KLBGDYMXFBITHD-UHFFFAOYSA-N	403.544	3.575	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)CC1CCC1	769927019	MKASGXAFASUJOR-HDICACEKSA-N	405.558	3.566	10	20	HHCD	
COc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1F	771248840	OIOWPXMXBKBVAZ-OKILXGFUSA-N	405.445	3.909	10	20	HHCD	
CC[C@@]1(C)Oc2ccc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cc2O1	771998097	KHLCNPNHBIVLOU-FQEVSTJZSA-N	402.834	3.912	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C[C@@H]4CCOC4)C3)CC2)cc1	774194615	YKQCPGWHXBMEEZ-OALUTQOASA-N	401.551	3.512	10	20	HHCD	
C[C@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cc(Cl)c(Cl)cc1O	774381409	NEQUKSIPIGRWTA-NSHDSACASA-N	409.379	3.942	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1cccc(C(F)(F)F)c1	774923846	MYEKZRDDESRGCQ-LLVKDONJSA-N	417.478	3.638	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@H](CC)c2ccc(Cl)c(Cl)c2O)CC1	775492463	OAXYKGAXNWVZPO-OAHLLOKOSA-N	409.379	3.944	10	20	HHCD	
CC[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Br)ccc1O	775502198	PZFSCXVYUMUYDI-PXAZEXFGSA-N	416.262	3.914	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3c(F)cccc3Cl)cc2F)C[C@H](C)O1	776290042	GISLXJPPLYIHEK-KBPBESRZSA-N	424.875	3.927	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1	776739388	OQOBEYULSHTJSM-BTYIYWSLSA-N	417.912	3.772	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)co1	781371768	UHQZXKVADDQYEL-ZDUSSCGKSA-N	403.390	3.547	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCCOc2ccc3c(c2)NC(=O)CC3)C2CC2)cc1	782311637	FEEZFQJKTCDMMY-UHFFFAOYSA-N	421.541	3.988	10	20	HHCD	
COC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1	783483119	NOSPMCLLRKCWOU-MRXNPFEDSA-N	417.465	3.788	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccnc2Br)C2CCCCC2)cc1	784059225	HKRSJILBJQMCCZ-UHFFFAOYSA-N	417.307	3.731	10	20	HHCD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	791527850	VERIJOWBLMJSNZ-KRWDZBQOSA-N	408.473	3.899	10	20	HHCD	
COC(=O)c1nc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)sc1C	792178991	MIQFKECRCNEUBX-CXAGYDPISA-N	416.547	3.912	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccnn3-c3ccc(F)cc3)SC2=S)cn1	794859375	SRTLQCHDCDDOQW-YBEGLDIGSA-N	412.471	3.821	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cccc(Br)c1F	798427873	DWKJRMPJISMKCL-UHFFFAOYSA-N	413.312	3.667	10	20	HHCD	
CC[C@@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(Cl)c1O	806138723	AMGZZKOWEFZLFT-CQSZACIVSA-N	414.877	3.648	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1Cl	806847400	PELOUMURUALJIB-HXUWFJFHSA-N	401.938	3.878	10	20	HHCD	
C[C@@H]1CC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C[C@H]1C	806926861	VPZPNVWKODUDAF-QWFCFKBJSA-N	411.546	3.815	10	20	HHCD	
COc1cc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC	807834327	KTNLGIYCJCUIOZ-UHFFFAOYSA-N	414.285	3.974	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3nc(-c4cnn(C)c4)ccc3=O)c2C)c1	809965789	NKNZGMVJWRDYTC-UHFFFAOYSA-N	415.497	3.551	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c1	810256183	XDIJMNZRCRMCTK-OAHLLOKOSA-N	409.486	3.621	10	20	HHCD	
C[C@@H](NC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1)c1ccc(N(C)C)cc1	812199891	IVDSZTKKVOFTKT-AYOQOUSVSA-N	413.522	3.985	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCO1	812436255	FCGHCYCLJPDQAH-FQEVSTJZSA-N	410.493	3.919	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](O)c3ccc(Cl)cc3F)cc2F)C[C@@H](C)O1	813416348	OGSDXCRTEPVSJN-MTJIALIYSA-N	424.875	3.582	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CC)C2)sc(C)c1-c1ccc(F)cc1	914720441	CHNOOSVBDXQURI-AWEZNQCLSA-N	418.490	3.846	10	20	HHCD	
Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)cccc1[N+](=O)[O-]	914907143	RQARHEZCLYTHCC-INIZCTEOSA-N	422.441	3.890	10	20	HHCD	
Cc1c(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cccc1-n1cnnn1	915316723	AWRXZOGBCOPDGQ-UHFFFAOYSA-N	415.501	3.742	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2=O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916673237	KSDLYDSSZRFDAA-FQEVSTJZSA-N	409.486	3.732	10	20	HHCD	
COCCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	916677819	NSTZUSSAFXROBX-HXUWFJFHSA-N	400.475	3.631	10	20	HHCD	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cccc4c3OCO4)SC2=S)cc1	917643216	VWZIKZWVLDNSMD-YBEGLDIGSA-N	413.476	3.998	10	20	HHCD	
Cc1cc(C)n([C@H](C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	917713264	KBGCLHVDFWQQGQ-KURKYZTESA-N	402.514	3.520	10	20	HHCD	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1	917902869	WRRRSKVPIVPRQY-UHFFFAOYSA-N	423.541	3.779	10	20	HHCD	
Cc1c(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(=O)n(-c2ccccc2)n1C	918024461	UFVDEKYTXWPKRF-UHFFFAOYSA-N	419.529	3.747	10	20	HHCD	
C[C@@H](Cc1ccsc1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	918666428	VRGAABXYLCFIIV-LBPRGKRZSA-N	420.446	3.793	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1	919791681	DCPWTUNTMFAJPF-LJQANCHMSA-N	420.513	3.754	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3csc(-c4ccccn4)n3)SC2=S)CC1	920473073	QJDYOKIBTBQAGR-XNTDXEJSSA-N	402.570	3.501	10	20	HHCD	
COc1cc(Br)cc(CNc2ccc3c(c2)cc(C)c(=O)n3C)c1O	1261225152	OPVDHEVSZIQVRO-UHFFFAOYSA-N	403.276	3.936	10	20	HHCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1320126606	JDCCLYIJLUMBGN-QFBILLFUSA-N	404.894	3.540	10	20	HHCD	
CCn1c(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc2ccccc21	1320273227	APYXHKHIPSOYOU-UHFFFAOYSA-N	423.513	3.649	10	20	HHCD	
COC(=O)CCN(C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)C1CCOCC1	1322174049	FWGGRCBCNUUJHI-UHFFFAOYSA-N	418.921	3.932	10	20	HHCD	
CCC(=O)NC1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	1350858364	CXTSTORGCGLNCK-UHFFFAOYSA-N	401.938	3.807	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccccc1Cn1cccn1	26529424	HBUSPJCBRUHWED-UHFFFAOYSA-N	417.538	3.740	10	20	HHCD	
COc1cccc(CN[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1O	237412360	JLFZESOFBHXRES-QFIPXVFZSA-N	411.523	3.992	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)ccc21	448195383	BYLKTSGSEKFEDK-NZQKXSOJSA-N	409.574	3.993	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	800572052	TYOLYCYJTKOOSH-JTQLQIEISA-N	402.344	3.931	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C(F)(F)F)[C@H](CO)C3)cc2)CC1	806766148	NOKIDMIXXAWXAP-HKUYNNGSSA-N	413.484	3.625	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC[C@](O)(C(F)(F)F)CC2)ccc1N1CCCCC1	809704447	DLGZODKJNSZBHT-GOSISDBHSA-N	401.429	3.864	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1)c1ccc(N(C)C)cc1	807677596	QYOGEWRCXLHWJZ-WMLDXEAASA-N	411.468	3.511	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1nc(Cc2ccccc2)cs1	806922760	SBONKAIMEPVFBW-UHFFFAOYSA-N	421.522	3.573	10	20	HHCD	
C[C@H](CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)Sc1ccccc1	807632862	LBOGJRYOBDKFQH-QGZVFWFLSA-N	424.522	3.811	10	20	HHCD	
O=C(NCCC[C@@H]1CCCCO1)C(=O)N(Cc1ccccc1O)C1CCCCC1	807998843	SBYNEWOCFUOTMU-FQEVSTJZSA-N	402.535	3.519	10	20	HHCD	
CNC(=O)c1cc2cc(NC(=O)c3ccc4c(c3)c(C)c(C)n4CCOC)ccc2[nH]1	473581098	GFWRHFQKOSJYBK-UHFFFAOYSA-N	418.497	3.998	10	20	HHCD	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	806457029	BZWOKRRFNMLGIN-OAQYLSRUSA-N	415.509	3.964	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)Sc3nncn3C)cc2Cl)C1	800049710	UKGXYAHWNXLBQJ-ZIAGYGMSSA-N	407.971	3.502	10	20	HHCD	
CCc1csc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1	800636192	HLDMLXYSXVQIBS-ZDUSSCGKSA-N	420.966	3.850	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1OC(F)(F)F	807511013	CEOUWXSLSAKTRU-UHFFFAOYSA-N	423.174	3.853	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@](CO)(Cc4ccccc4)C3)ccc21	813051334	KGJWZNAUKZMAFY-VWLOTQADSA-N	407.558	3.596	10	20	HHCD	
C[C@@H]1CN(C(C)(C)CNC(=O)N(Cc2ccco2)Cc2ccccc2O)C[C@@H](C)O1	726091153	HGUVDHSAQGOECT-QZTJIDSGSA-N	415.534	3.585	10	20	HHCD	
CC(C)(C)n1cnnc1SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	727653902	MIKAMZVKDZSVJJ-UHFFFAOYSA-N	420.494	3.539	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccccc3C(=O)N3CCCC3)CC2)cc1	726695032	SLLDUXLIQDTWEZ-UHFFFAOYSA-N	422.529	3.722	10	20	HHCD	
CN(CCCc1cc(-c2ccccc2)no1)CC(=O)N(C)Cc1ccc(N(C)C)cc1	725803321	HGOUPIMVEJVXTR-UHFFFAOYSA-N	420.557	3.931	10	20	HHCD	
O=C([C@@H]1COc2ccc(Cl)cc2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517074	HDUWMCXMKLQCLV-HKUYNNGSSA-N	401.890	3.805	10	20	HHCD	
Cc1oc2c(CN3CCn4cnnc4C3)c(O)ccc2c(=O)c1-c1ccccc1Cl	732189310	DCNNYISOLOSGKT-UHFFFAOYSA-N	422.872	3.735	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CCNC(=O)NCc3ccc(N(C)C)cc3C)cc2)n1	734522626	RKRVJMHPPSFDTR-UHFFFAOYSA-N	405.546	3.905	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1	739576668	OOXPGIXWIZDAHY-UHFFFAOYSA-N	403.408	3.591	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H]1c1ccc(F)cc1	918224962	XLAKIKZQRYOVCB-FQEVSTJZSA-N	401.457	3.848	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(C(=O)c4ccc(C)c(F)c4)CC3)c2c1	917477078	CABMBKZCOOSOPM-UHFFFAOYSA-N	408.473	3.960	10	20	HHCD	
O=C(NC[C@H](O)COc1ccccc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915785668	TYSUAQHGXZSRBI-FQEVSTJZSA-N	418.453	3.597	10	20	HHCD	
COc1cc([C@H](C)NC(=O)NCc2ccccc2O)ccc1OCc1ccncc1	748459295	FLBNAGWZNSJBAM-INIZCTEOSA-N	407.470	3.935	10	20	HHCD	
CCOC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1	749254881	MKFQSVWVNFSJRC-UHFFFAOYSA-N	404.532	3.530	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)c(C)n1-c1cccc(C(C)C)c1	744354345	FTTTWVVNPKWDCI-NRFANRHFSA-N	408.546	3.847	10	20	HHCD	
O=C(NCCc1ccc(O)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745790490	NNJKDTMUXCAZCC-MRXNPFEDSA-N	405.445	3.504	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c(C)n1-c1cccc(Cl)c1	919986056	PWCKCHRPOBPMBM-UHFFFAOYSA-N	422.916	3.741	10	20	HHCD	
Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N(C)Cc1ccccc1O	746787910	YYHUKYUAOSFOIN-UHFFFAOYSA-N	404.466	3.877	10	20	HHCD	
COC(=O)CSCc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1	743142886	FVYFCXINFHXZCF-UHFFFAOYSA-N	414.527	3.999	10	20	HHCD	
O=C(CSCc1cccnc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801582	RDCCRHQGXDPYNH-MRXNPFEDSA-N	407.486	3.701	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2)C1	918117768	INQKWCBVOYKAIP-DENIHFKCSA-N	424.520	3.574	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C	914462598	YZEFHABUZLCCRM-UHFFFAOYSA-N	420.561	3.553	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CSC(F)(F)F)NC(=O)OC(C)(C)C)cc1	742749115	CQQYLWLUZDJMEE-CQSZACIVSA-N	421.485	3.688	10	20	HHCD	
C[C@@H]1CCc2sc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2C1	917832389	XACATVZVJFYXJP-NVXWUHKLSA-N	411.571	3.505	10	20	HHCD	
Cc1nc(C(C)C)nc(O)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	747408754	FHCPZEBDVANVIG-CQSZACIVSA-N	420.460	3.614	10	20	HHCD	
CCN(CC)c1ccc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1F	740003242	WBJBKRSTNOEFTM-FQEVSTJZSA-N	424.480	3.680	10	20	HHCD	
CCOc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1OCC	921086742	BAVFBVOJLHPLCB-QGOAFFKASA-N	406.573	3.779	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc4c(C)cc(C)cc4[nH]3)CC2)cc(OC)c1OC	759406002	PQZNLJPVXDXWDM-UHFFFAOYSA-N	423.513	3.773	10	20	HHCD	
COc1cc(C)cc(CN2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)c1O	754738319	XJDXLRSWCJTEPZ-MRXNPFEDSA-N	402.922	3.638	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(Br)c(O)c3)c2)CC1	768520015	CQXZGYSKEPRQLG-UHFFFAOYSA-N	418.335	3.937	10	20	HHCD	
Cn1cc(N2CCC[C@H](OC(=O)c3ccccc3N=Nc3ccc(O)cc3)C2=O)cn1	764494230	GFPDZAKNEUQQRN-FQEVSTJZSA-N	419.441	3.894	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCOc1ccc(C=O)cc1	769293707	ZPTSJLSEIONOMZ-UHFFFAOYSA-N	406.276	3.785	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OCCN(C)C)cc1	765285014	AARIAFBATJUKHW-HXUWFJFHSA-N	411.590	3.687	10	20	HHCD	
C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)cc1Cl	764773328	GXCMIVOEEDSVBP-MRXNPFEDSA-N	401.938	3.729	10	20	HHCD	
COc1cc(F)cc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	769714758	XIQCRVGFSXNBND-HUUCEWRRSA-N	419.472	3.586	10	20	HHCD	
COc1ccc(CCC(=O)N2CCCN(Cc3ccc(N4CCCC4)cc3)CC2)cc1	1116443877	GZJPBBMSMYKNOT-UHFFFAOYSA-N	421.585	3.963	10	20	HHCD	
CC(C)N1CCN(c2cccc(NS(=O)(=O)c3cnc4ccsc4c3)c2)CC1	768015579	IAIZXYHDVZXPGZ-UHFFFAOYSA-N	416.572	3.628	10	20	HHCD	
COc1cccc(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1O	768162857	KEMBBBRNGQVUHU-UHFFFAOYSA-N	401.816	3.790	10	20	HHCD	
C[C@H](CNC(=O)OC(C)(C)C)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl	773098230	ZMWDDYUZLRTYEW-JKSUJKDBSA-N	411.974	3.988	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)c1	1117453777	ROKZHBANPRMXHX-MJGOQNOKSA-N	401.938	3.683	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)c1ccc(N(C)C)cc1	774888706	ISXMMFWHPAJQJF-KGLIPLIRSA-N	418.335	3.570	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1	775173416	RCQZTIIZXHFOIY-UHFFFAOYSA-N	422.489	3.803	10	20	HHCD	
COc1cc(CN(C)Cc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OCC(F)F	778984796	LQLAXRATIJTNHJ-UHFFFAOYSA-N	409.433	3.945	10	20	HHCD	
Fc1ccccc1COC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	779603453	AZNOWGOKFYQVAE-UHFFFAOYSA-N	402.485	3.983	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H](C)c1ccc(C)cc1	786725393	RZCOJMCELNLFNY-AWEZNQCLSA-N	419.319	3.689	10	20	HHCD	
Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1O	780922678	XTNWYXGOHQJHEK-IRXDYDNUSA-N	404.507	3.800	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc2cc(OC)ccc2c1	785882015	FNLCTBASXSMVJS-UHFFFAOYSA-N	419.525	3.579	10	20	HHCD	
CCC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCN(C(=O)c2ccccc2)CC1	781352036	SEYQIUOZAFVTQC-QGZVFWFLSA-N	410.514	3.911	10	20	HHCD	
C[C@H](NC(=O)NCCCCn1cc(Br)cn1)c1ccc(N(C)C)cc1	792179890	RCJPWSFVHHSIGY-AWEZNQCLSA-N	408.344	3.552	10	20	HHCD	
C[C@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799993140	CVSKUPFIMBDHJU-LHGDWWLVSA-N	411.999	3.627	10	20	HHCD	
CN1CCC(N2CC[C@@H](NCc3ccc4c(c3)CCN4Cc3ccccc3)C2)CC1	796304765	LWVSIVPRCPWGJA-XMMPIXPASA-N	404.602	3.507	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnn4c3OCCC4)c2C)cc1	795717450	MGMHCCJHXTXCNJ-UHFFFAOYSA-N	423.469	3.512	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(OC)c(Br)cc1OC	790417443	JTIAKFMAYHYGSZ-UHFFFAOYSA-N	416.293	3.535	10	20	HHCD	
c1ccc(CN2CCc3cc(CNCCc4nnc5n4CCCCC5)ccc32)cc1	796262927	PBGLNMGBRTZKOT-UHFFFAOYSA-N	401.558	3.900	10	20	HHCD	
C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F	792795367	FOGMGELMNRWZGO-CYBMUJFWSA-N	415.481	3.612	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1OCC(F)(F)F	797626892	YTPWKJSHRQVZMA-JTQLQIEISA-N	402.344	3.931	10	20	HHCD	
CO[C@@H]1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)[C@@H](C)C1	799424135	IPQWWYSRGBQMDQ-AXAJZXMSSA-N	424.613	3.755	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C(F)(F)c1ccc(Cl)cc1	1337724427	QKTRNMDRMGKEPD-UHFFFAOYSA-N	410.848	3.700	10	20	HHCD	
CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)CCCC1	1792671379	NORJIIQOJQQVTD-QDMKHBRRSA-N	406.910	3.583	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)c2C)cc1	6814405	MFDHNKVKOQUBSV-UHFFFAOYSA-N	416.437	3.904	10	20	HHCD	
COC(=O)c1ccc(COc2ccc(/C=C3\SC(=S)NC3=O)cc2OC)cc1	16406703	WNEUMAGPWZQUBT-YVLHZVERSA-N	415.492	3.550	10	20	HHCD	
Cc1occc1C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	17276224	HVDRQMCRMWZUJQ-ZDUSSCGKSA-N	403.390	3.547	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)cc1	24109132	OIFAJLKHODOADP-IBGZPJMESA-N	423.460	3.819	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	252118612	KNCVRNNDKXHYQA-SVFBPWRDSA-N	417.594	3.839	10	20	HHCD	
Cc1ccccc1-n1nccc1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1	499270828	ILTQPYMBWDBIAU-UHFFFAOYSA-N	402.479	3.649	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(CN4CC[C@H](O)C4)c3)ccc21	552518176	VWOOTTLSJQZPMS-QFIPXVFZSA-N	421.541	3.723	10	20	HHCD	
COC(=O)c1ccc2c(c1)CCN2C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1	591813435	FGESIXRICOWMQC-UHFFFAOYSA-N	424.460	3.924	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](C(C)(C)C(=O)OC)C3)ccc21	611309137	XLMDUWWRLUCCQJ-IBGZPJMESA-N	414.546	3.956	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1	726711680	HPZZODROFXEMIF-GOTSBHOMSA-N	409.530	3.585	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1OCC(F)F	726849453	QKHBNFYATPWEOQ-UHFFFAOYSA-N	405.445	3.797	10	20	HHCD	
COC(=O)c1ccc2c(=O)nc(/C(Cl)=C/c3ccc(N(C)C)c(F)c3)[nH]c2c1	727655207	UBVVXXWGDQXNNM-ZSOIEALJSA-N	401.825	3.652	10	20	HHCD	
COC(=O)[C@@H](CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)Cc1ccc(O)cc1	729253542	VDGAEGMVUTZQBJ-GOSISDBHSA-N	424.472	3.701	10	20	HHCD	
CC(=O)Nc1cccc(OCCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	729678973	OVNNWZZZOZYBPG-UHFFFAOYSA-N	412.490	3.712	10	20	HHCD	
CN(C)c1ccc(CNCc2cn(-c3ccccc3Br)nn2)cc1F	733327856	DHALFEGKOGLGNU-UHFFFAOYSA-N	404.287	3.525	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1	741057393	VRKPJOKCNNAZJQ-OAQYLSRUSA-N	406.486	3.502	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)c1	741907350	UFBSWPBTAMMYRJ-UHFFFAOYSA-N	408.420	3.789	10	20	HHCD	
CN(c1ccc(CNC(=O)CSCC(=O)N2CCCCC2)cc1)C1CCCCC1	742416235	PZNPFQBPJDOXCD-UHFFFAOYSA-N	417.619	3.817	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1	743045612	QNLCBAVEPKYUCL-UHFFFAOYSA-N	401.513	3.902	10	20	HHCD	
CCCc1c(C(=O)NCc2cc(OC)ccc2O)nnn1-c1cccc(C(C)C)c1	743410745	PAFYNSNYLDOXLA-UHFFFAOYSA-N	408.502	3.987	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H](C)Oc3ccc(F)cc3)CC2)cc1	743678632	OIKPUIJDXSHZPJ-QGZVFWFLSA-N	401.482	3.524	10	20	HHCD	
CCCCN1CCC(NC(=O)N(CC)Cc2cc(Br)ccc2O)CC1	745791762	FTGRWJYRRDXZGZ-UHFFFAOYSA-N	412.372	3.951	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1F	746316093	MWZDVFWCQLEMDL-NQIIRXRSSA-N	403.473	3.829	10	20	HHCD	
O=C(NCCC1=CCCCC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748011149	XAZZHVNNISPQLA-UHFFFAOYSA-N	406.529	3.875	10	20	HHCD	
CCCCO[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C	748970494	NRYBPKGFBABADP-RTWAWAEBSA-N	403.567	3.648	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCN(c3ncnc4sccc34)CC2)c1O	750034950	CWBMZOATAOFBIE-UHFFFAOYSA-N	402.907	3.575	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(Cl)c(Cl)c1O	756415079	KCIKLSRVMGTAEU-AWEZNQCLSA-N	422.356	3.937	10	20	HHCD	
O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccc(N=Nc2ccccc2)cc1	756808161	ANPRPGYPGBYMFP-GOSISDBHSA-N	423.502	3.998	10	20	HHCD	
CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccn(C)n1	756875215	UKLHTJIWBZNHOO-ICSRJNTNSA-N	401.555	3.793	10	20	HHCD	
CC(C)c1ccc(CN(C(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)C2CC2)cc1	759593630	DBKADQSLLIWWSH-WUXMJOGZSA-N	409.482	3.969	10	20	HHCD	
Cc1nnc(-c2ccccc2C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)o1	764385980	CCUFCKBTNCIECH-UHFFFAOYSA-N	417.513	3.829	10	20	HHCD	
Cc1ccc(-c2n[nH]c(SCC(=O)NCCCSc3nccs3)n2)cc1	765525192	KAUCEGFOZRFUDY-UHFFFAOYSA-N	405.574	3.627	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NC3CCN(c4ccccn4)CC3)CC2)cc1	765643314	GDOCFEUITBVWRZ-UHFFFAOYSA-N	402.489	3.910	10	20	HHCD	
CC(C)(C)Oc1cccc(CCC(=O)NCc2cccc(Br)c2O)n1	765757682	STQFEHCATKDZKM-UHFFFAOYSA-N	407.308	3.976	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(F)cc1Cl	768011754	FIPRRTQDUWCADQ-UHFFFAOYSA-N	423.941	3.812	10	20	HHCD	
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769914751	WTDCOKQTQFPQKI-SFHVURJKSA-N	404.532	3.556	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ncccc12	771282607	SIQZRMRVICJLPH-UHFFFAOYSA-N	420.513	3.774	10	20	HHCD	
Cn1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(-c2ccccc2)n1	771518924	AWVYTIJPHVJVHJ-VBKFSLOCSA-N	415.540	3.933	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1	773326830	PHRDRQIKTOWGCP-UHFFFAOYSA-N	413.827	3.988	10	20	HHCD	
Cc1nc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)ccc2o1	774224888	ZYXVHLRMXRXQLU-UHFFFAOYSA-N	406.486	3.627	10	20	HHCD	
C[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1cc(Cl)c(Cl)cc1O	774267827	XOQMYSJDFLSGNI-SNVBAGLBSA-N	409.360	3.732	10	20	HHCD	
COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC3	776239958	SPASXSLRZCSLJX-OAHLLOKOSA-N	420.513	3.849	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNC(c3ccccc3)c3ccccc3)cc2)CC1	779062495	VTIKAIAODKNGKK-UHFFFAOYSA-N	406.551	3.801	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1	782708649	GXVQLEQPEWVHSV-OAQYLSRUSA-N	409.534	3.638	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccn(C4CCN(C)CC4)n3)cc2)CC1	786698770	KFHWQNKYHMAMRF-UHFFFAOYSA-N	410.566	3.708	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2OC(F)(F)F)c(C)c(C)c1O	792697415	HAZHLYAQACFQGE-UHFFFAOYSA-N	419.377	3.715	10	20	HHCD	
Oc1ccc(Cl)c(F)c1CN1CCC(O)(c2scnc2Br)CC1	797604064	IOLUJDIICAVVLP-UHFFFAOYSA-N	421.719	3.887	10	20	HHCD	
CCOc1ccc(NC(=O)N(CC(=O)O)Cc2cc(Cl)ccc2O)cc1OCC	797734888	BXPVBVNRMFGAFL-UHFFFAOYSA-N	422.865	3.962	10	20	HHCD	
CC(C)OC[C@H](CO)N(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800719915	PIXARCLSCSMXNS-WMZOPIPTSA-N	411.974	3.504	10	20	HHCD	
COc1ccc(C2=NO[C@H](CNC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)cc1C	801368745	BPSJIDWSFMJMBJ-IBGZPJMESA-N	418.497	3.729	10	20	HHCD	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803686599	NKQCYZIUKNIXCK-UHFFFAOYSA-N	420.340	3.651	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N(Cc3ccccc3)Cc3ccco3)ccc21	803687504	DYYZQTMXTQGNOV-UHFFFAOYSA-N	417.509	3.507	10	20	HHCD	
C[C@@H](Cn1ccc2ccccc21)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	803795637	KYIBHXNWSUNCDJ-SFHVURJKSA-N	407.514	3.545	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1	807286821	AWTPZRZSGPFMBS-OAQYLSRUSA-N	409.917	3.696	10	20	HHCD	
Cc1csc([C@H](C)CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n1	807354039	ZFTSBFRIUBZLOV-OAHLLOKOSA-N	415.559	3.738	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCc2ccc(SC)cc2)cc1	807669987	YNJASEBVVUXIPQ-UHFFFAOYSA-N	413.587	3.572	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccn(Cc2ccccc2)c1=O	807839159	IRORQPPQNJOLGJ-UHFFFAOYSA-N	403.265	3.839	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccc(O)nc2)c(C)n1-c1cccc(Br)c1	808124396	RWOWOOIALFTECG-UHFFFAOYSA-N	414.303	3.930	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@]1(COC)OCCc2ccccc21	812478167	OPVYKJDNMJZIRV-XMMPIXPASA-N	412.530	3.819	10	20	HHCD	
C[C@]1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)OCCc2sccc21	812551109	AGYKMBBKZISNCM-VGOFRKELSA-N	416.543	3.632	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)c2C)cc1	817322461	YQLXHDLLFZTFKJ-UHFFFAOYSA-N	421.497	3.730	10	20	HHCD	
COCCn1nnc2c1CCN(C(=O)c1cc(C)n(-c3cccc(C(C)C)c3)c1C)C2	817832897	PGHOHFGISVAZMT-UHFFFAOYSA-N	421.545	3.654	10	20	HHCD	
COC(=O)c1ccc(CNC(=O)[C@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	821958476	IYAQLHPNLKKCEF-IBGZPJMESA-N	423.557	3.600	10	20	HHCD	
Cc1cccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1	912769490	SQARMZZRMPKNFC-UHFFFAOYSA-N	400.390	3.609	10	20	HHCD	
CC(=O)c1cc(CN(C)Cc2c(F)cccc2Cl)c(O)c(CN2CCOCC2)c1	915823285	UXVHQAGCVCZQAO-UHFFFAOYSA-N	420.912	3.852	10	20	HHCD	
CC(C)Oc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1	916458210	GAHLZHOBOQIWES-UHFFFAOYSA-N	423.435	3.654	10	20	HHCD	
CC(=O)Nc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1F	916677408	OBNFDBKVVYUJIJ-QGZVFWFLSA-N	401.438	3.703	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCSc2ccccc21	918184979	WBQGGKGWTRPYJF-OAQYLSRUSA-N	411.571	3.932	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1	919973097	JRGLQEIRBYWBCR-UHFFFAOYSA-N	403.891	3.647	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)Nc3cccc(F)c3F)cc2F)CC1	1322937296	OIYDZIWOEFNMKU-UHFFFAOYSA-N	408.493	3.732	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(s1)CCCCCC2	1337827027	TWGXMNNVKYUYKM-INIZCTEOSA-N	417.527	3.723	10	20	HHCD	
COc1ccc(N2CC[C@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)C2)cc1	3047588	PWBXQAFXEBOSQR-CQSZACIVSA-N	414.449	3.519	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCC[C@H](C)C1	24874870	DPVVTTWOGISOQV-HNNXBMFYSA-N	401.532	3.692	10	20	HHCD	
Cc1cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)sc1Br	317300354	XGFIUDILDFIQOE-UHFFFAOYSA-N	403.367	3.706	10	20	HHCD	
Cc1c(CNC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)n(C)c2ccccc12	473276392	BRANCLOFBCLEMR-JOCHJYFZSA-N	406.530	3.627	10	20	HHCD	
CN(C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)C(=O)OC(C)(C)C	729593380	JEZOSONTNNQNGT-LJQANCHMSA-N	416.566	3.685	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1F	731408852	XYGPVHRTLAEOHO-UHFFFAOYSA-N	411.399	3.946	10	20	HHCD	
COc1ccc2[nH]cc(CCNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2c1	733346570	XAJMFTLQBSZFBE-KRWDZBQOSA-N	422.529	3.616	10	20	HHCD	
CSc1cccc(N2C[C@H](C(=O)NCCCSc3nccs3)CC2=O)c1	733974044	DOZJLOLMGBYMDT-CYBMUJFWSA-N	407.586	3.517	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccccc1Cl	734065355	VFFRJXPWBKFEPA-IBGZPJMESA-N	405.926	3.937	10	20	HHCD	
CCN(C(C)=O)c1nc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cs1	734509360	HOVSWWNHUOEKKF-KRWDZBQOSA-N	422.982	3.629	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(Br)c(F)c1	740910876	AJLAIDGQZJXGAX-UHFFFAOYSA-N	404.283	3.964	10	20	HHCD	
CCCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	741084664	RAFQRZCDSOQPNY-VSKRKVRLSA-N	415.578	3.899	10	20	HHCD	
CCc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742334267	IRROXTATMMZOLI-MRXNPFEDSA-N	410.486	3.798	10	20	HHCD	
COc1ccc(-n2nnc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2C)cc1	742475409	LWTSYMOSWCLCDV-UHFFFAOYSA-N	405.502	3.505	10	20	HHCD	
CCN(CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	742806667	UJDISYKZXGYLOD-KRWDZBQOSA-N	403.473	3.900	10	20	HHCD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	743313590	LXXCUQMVWBXEAU-BPXKWBHBSA-N	406.542	3.777	10	20	HHCD	
Cc1cnc([C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)s1	743565411	WHEMXEZDGZYFCJ-BEFAXECRSA-N	400.548	3.800	10	20	HHCD	
CCOc1ccc(OC[C@H](O)CN(CC)Cc2cc(Br)ccc2O)cc1	743870888	FURIEEGLFKWYKM-QGZVFWFLSA-N	424.335	3.815	10	20	HHCD	
COC(=O)c1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1OC	745540398	ATHCUFURRMRXGE-UHFFFAOYSA-N	413.518	3.668	10	20	HHCD	
CCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1	745937617	KONLNENHLYSXMP-UHFFFAOYSA-N	402.560	3.689	10	20	HHCD	
O=C(NCCN1CCCc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	749214395	VXYAPANSXSGVTL-NRFANRHFSA-N	409.530	3.536	10	20	HHCD	
CCn1c([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccccc21	753135026	KBVQTZDMQNERTN-QHCPKHFHSA-N	419.573	3.918	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(c3cc(OC)ccc3Cl)C2=O)c[nH]1	753135761	ANLFDVWEYUCQCH-NSIKDUERSA-N	408.888	3.869	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1	753190817	KNKSTGPTIJXJPI-KRWDZBQOSA-N	402.560	3.698	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2cccc2)nc1	753232817	HQLYETBFHNFJGC-QGZVFWFLSA-N	412.440	3.873	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCC[C@H](C)N1CCCCC1	753411057	OSVKPNJSZDWVGS-HNNXBMFYSA-N	412.372	3.951	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1	753561260	ZLMJROQODQTNFW-LBPRGKRZSA-N	410.392	3.712	10	20	HHCD	
COc1c(F)ccc(F)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	755291365	BLFWOZALOFMGTB-UHFFFAOYSA-N	412.383	3.974	10	20	HHCD	
CC(C)[C@H](CN[C@@H](C)c1cc(Br)cc(Cl)c1O)N1CCN(C)CC1	756399487	QATAHWCHLYNULH-GUYCJALGSA-N	418.807	3.731	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(CN[C@H](C)c3cc(F)cc(F)c3O)cc2)C[C@@H](C)O1	756479272	LGMRQQLUFWMWPN-QLFBSQMISA-N	404.457	3.771	10	20	HHCD	
C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccc(Cl)c(Cl)c1O	756857792	QOPLUZDKBQQDNJ-KSSFIOAISA-N	424.372	3.639	10	20	HHCD	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	759098837	KBJFLNKFIWZKTR-OAHLLOKOSA-N	417.531	3.703	10	20	HHCD	
CC[C@@H](CC1CCCC1)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759242395	YXTDBQUZYQJCHN-SFHVURJKSA-N	404.551	3.968	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc(OC)c1OC	759879375	SYRTYHGWKNADDJ-UHFFFAOYSA-N	421.881	3.596	10	20	HHCD	
CC(C)Oc1ccc(N(C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1	759933777	PRXHMGMEMWCZNK-UHFFFAOYSA-N	410.923	3.606	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1	762001656	VUFBUJSZMFYQCO-UHFFFAOYSA-N	405.394	3.921	10	20	HHCD	
CCCSc1nsc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	762954724	WEDDKTODMQVWHN-ZDUSSCGKSA-N	407.565	3.760	10	20	HHCD	
CCSc1cc(Cl)ccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1	763424273	RIZSRSPNLJZYOY-UHFFFAOYSA-N	424.975	3.939	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1csc(-c2ccco2)n1	764372986	HCIVAHORSJHTAV-UHFFFAOYSA-N	412.515	3.581	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c[nH]nc1-c1cccnc1	764450763	QBAZKRQYLKJHMM-UHFFFAOYSA-N	401.264	3.602	10	20	HHCD	
C[C@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1Cl	764949205	VOYUBHUMWUCJMD-INIZCTEOSA-N	407.986	3.864	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cn3cc(-c4ccccc4)c(C)n3)CC2)cc1	766590442	FRNBNNOPQZSIEE-UHFFFAOYSA-N	404.514	3.652	10	20	HHCD	
COc1cc(O)c(CN2CCO[C@H](c3cccc(Br)c3)C2)cc1OC	768445890	VGNFVQMGTLNRCC-IBGZPJMESA-N	408.292	3.745	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(/C=C\C4CCCCC4)n3)CC2)cc1	771055481	FUXANUUCBCVKKP-GHXNOFRVSA-N	410.518	3.563	10	20	HHCD	
CC(C)Nc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1	771064135	ISPYPENDKDPTDX-SFHVURJKSA-N	402.926	3.655	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccc(N(C)C)cc1	772410055	WJPUJDWHYLICAW-RYRKJORJSA-N	404.555	3.901	10	20	HHCD	
COCc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	772610880	OBJVQJWABMRLAV-HZPDHXFCSA-N	401.482	3.907	10	20	HHCD	
CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773848611	STQKTUKTBUFHKL-CYBMUJFWSA-N	418.335	3.893	10	20	HHCD	
COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1	775203119	JXGJYHCPAFPVND-YLJYHZDGSA-N	407.595	3.833	10	20	HHCD	
O=S1(=O)CCN(Cc2ccc(OCc3ccccc3)cc2O)Cc2ccccc21	776015539	VYKJXDYTESDGGL-UHFFFAOYSA-N	409.507	3.761	10	20	HHCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccncc2)cc1	779519883	FOOADRJXXUENRG-ACRUDFBXSA-N	403.438	3.636	10	20	HHCD	
CCOC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H]1CCCOC1	781377337	FFGDQRRROIDFPS-UZLBHIALSA-N	418.921	3.836	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C3(Cc4ccccc4F)CC3)cc2F)CC1	785589026	XRDFYUJHUVQEDO-UHFFFAOYSA-N	413.512	3.746	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1	787860852	CHVSIGGFNDELOL-AWEZNQCLSA-N	406.429	3.610	10	20	HHCD	
CC(C)(C)C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1	788251337	VGBCGCZWIDOIHO-JOCHJYFZSA-N	405.542	3.973	10	20	HHCD	
Cc1ccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1F	788509831	ZOQUCOQJOBBHFP-IYBDPMFKSA-N	404.457	3.582	10	20	HHCD	
CO[C@@H]1CCOc2c(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cccc21	790577403	QNIGTOQEDCZEBS-OAQYLSRUSA-N	411.502	3.657	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c(O)c1	792855409	QUFSLDAWKOOZDC-UHFFFAOYSA-N	411.502	3.919	10	20	HHCD	
COc1ccc(CN(CCc2ccccn2)C(=O)/C=C/c2ccc(O)c(O)c2)cc1	794262419	MMXWCKCHYNMBAD-XYOKQWHBSA-N	404.466	3.786	10	20	HHCD	
C[C@H](Nc1cc(F)c(N2CCOCC2)cc1F)c1ccc(N2CCOCC2)c(F)c1	797144156	VABIJJVQHXQLQG-HNNXBMFYSA-N	421.463	3.950	10	20	HHCD	
CCn1ncc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1C(F)(F)F	799237687	HHQBIYSMEPBVIX-UHFFFAOYSA-N	411.428	3.675	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](C)CO[C@H]3CCOC3)cc2Cl)C1	799944554	CANVLCOGMFLKAQ-NUJGCVRESA-N	409.958	3.570	10	20	HHCD	
C[C@@H](c1ccc(Br)cn1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	804188331	MBILNMWMAAREAD-JTQLQIEISA-N	424.682	3.729	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)cc1	804960763	WQGFULVWYKNSTK-UHFFFAOYSA-N	416.877	3.528	10	20	HHCD	
CC[C@H](NC1CCN(CCC(=O)N(C)C)CC1)c1cc(Cl)cc(Cl)c1O	806139354	OGCPNQJHCSESPH-KRWDZBQOSA-N	402.366	3.682	10	20	HHCD	
Cc1cc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)c(C)n1-c1ccccn1	807710145	YXDDZIGOOJXBMV-QGZVFWFLSA-N	404.518	3.955	10	20	HHCD	
CC[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(C(F)(F)F)cc1O	810215692	JXYDEVBCJNKFMA-IBGZPJMESA-N	423.479	3.943	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC[C@@](CO)(Cc2ccccc2)C1	813098808	MRULHWOQYMOGKF-HXUWFJFHSA-N	405.589	3.652	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(C)cccc3Br)CC2)cc1F	813476647	WSXWDBYSALXXNU-UHFFFAOYSA-N	407.283	3.868	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1OCCc2sccc21	813868413	GKBSXHGCYXNPTP-QLJPJBMISA-N	411.321	3.718	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)c(C)n1-c1ccccn1	816810118	YNXUKZQPQJXGQB-UHFFFAOYSA-N	406.461	3.532	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1	918278752	DYZQPUHNGCGZNB-UHFFFAOYSA-N	419.978	3.978	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CC3(NC(=O)OC(C)(C)C)CCC3)CC2)cc1	1253864307	SVOAHBISDYWWAF-UHFFFAOYSA-N	417.550	3.571	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3cc(C)oc3C)cc2F)CC1	1318369011	NGRUNJMULKUMCA-MRXNPFEDSA-N	402.514	3.738	10	20	HHCD	
CS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1	1322504446	ZNWOJHPPHRNWQZ-XYVMCAHJSA-N	409.571	3.865	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccc(C)cc4)n3)CC2)cc1	1341871194	XGUJJSKQGTVSIO-UHFFFAOYSA-N	404.514	3.850	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2ccccc2F)o1	7327906	DZFDTLQKAZQLFZ-UHFFFAOYSA-N	400.479	3.692	10	20	HHCD	
CCc1nnsc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C	7359711	VNJTTYZZGFXWGP-UHFFFAOYSA-N	401.463	3.995	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1	33775329	KYBSJISGUABZHL-GZTJUZNOSA-N	415.492	3.653	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1	195712694	NFTBINSGLACCRI-UHFFFAOYSA-N	401.942	3.613	10	20	HHCD	
COc1ccc(OCc2ccccn2)c(CNCc2ccc(N3CCOCC3)cc2)c1	237295308	KDGXPWUJIGHFML-UHFFFAOYSA-N	419.525	3.796	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)Cc2cccc(Cl)c2)cc1F	803661480	CTUNLSIRFJJIOS-UHFFFAOYSA-N	419.928	3.546	10	20	HHCD	
COc1ccc(-c2nsc(NC(=O)NCc3ccc(N(C)C)c(F)c3)n2)cc1	809928725	QCGMCYKNMWELGP-UHFFFAOYSA-N	401.467	3.741	10	20	HHCD	
O=C(CN1CCC[C@H](c2nc(O)n[nH]2)C1)Nc1ccc(N=Nc2ccccc2)cc1	808775863	LYYKXPCZWCBSRL-HNNXBMFYSA-N	405.462	3.744	10	20	HHCD	
Cc1oc2ccccc2c1CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	809497840	BCVQMZTYXXKECL-UHFFFAOYSA-N	418.449	3.885	10	20	HHCD	
O=C(Nc1cc2ccccn2n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806651309	MCCHZRZPKJVOAO-AWEZNQCLSA-N	401.417	3.726	10	20	HHCD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(Cl)c(F)cc1O	816482277	ZWKVIKKPXMLITP-QGZVFWFLSA-N	423.868	3.864	10	20	HHCD	
Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCC2	813594963	POVHOSLZGZDYLY-NZQKXSOJSA-N	420.557	3.574	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(OC4CCCC4)CC3)CC2)cc1	726713663	PSLQCSSDHUHQAB-UHFFFAOYSA-N	401.551	3.797	10	20	HHCD	
CC(=O)Nc1c(C)cccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	729324428	AMLNEBVVMHOAIY-HZPDHXFCSA-N	413.493	3.636	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@@H](CCC(N)=O)C2)c(C)n1-c1ccc(Cl)cc1	727109340	HRXAAHFWVFERAR-KRWDZBQOSA-N	401.938	3.794	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(N2CCCC2)nc1	727105449	CNCSJWIVWHFZAA-UHFFFAOYSA-N	416.472	3.682	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1O	729859855	UXZOEKBLHFZYBD-NRFANRHFSA-N	403.434	3.785	10	20	HHCD	
CC(C)OC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	730580506	TWMGSSRPYNAWHI-IRXDYDNUSA-N	407.530	3.538	10	20	HHCD	
COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c(C(=O)NC2CC2)c1	730246494	KULTXWBEFCVGEJ-UHFFFAOYSA-N	404.470	3.642	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(CC3CC3)CC2)c(C)n1-c1ccc(OC(F)F)cc1	917159049	MMQIQGGKMJJIQD-UHFFFAOYSA-N	417.500	3.906	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(-n2ccnn2)cc1	743137905	HSSSPGQCZJECIG-UHFFFAOYSA-N	416.279	3.789	10	20	HHCD	
CCN(CC(=O)N(C)Cc1ccc(OC)cc1)Cc1cc(Br)ccc1O	743871133	RXRFUOKAPIHDSO-UHFFFAOYSA-N	421.335	3.644	10	20	HHCD	
CCc1ncsc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	747617072	POZGKOKUCLPBPI-UHFFFAOYSA-N	409.514	3.526	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc4ccccc4nc3O)cc2F)C[C@@H](C)O1	918140718	ONIMAFMPCFYJON-GASCZTMLSA-N	409.461	3.623	10	20	HHCD	
Cc1cc(N2CCC(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)nc(C)n1	749514819	MYOAVIIMDQACIX-UHFFFAOYSA-N	403.530	3.900	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)CCC(=O)N2	916591616	AZRKZWLECVSFBJ-INIZCTEOSA-N	424.570	3.685	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743814363	FJTWFFAEVPVLTA-INIZCTEOSA-N	405.445	3.765	10	20	HHCD	
O=C1CCc2cc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc2N1	742805082	GAPWIBCLKSEYKL-MRXNPFEDSA-N	415.440	3.572	10	20	HHCD	
CCOc1cc(F)ccc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	918250564	PVXNDZLWOZURTR-UHFFFAOYSA-N	423.488	3.929	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	749573771	IDBSNBWLGJPDJT-YKSBVNFPSA-N	404.558	3.773	10	20	HHCD	
Cc1ccc(-n2ncc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2C)cc1	919969027	CCNAABFYGGUWSL-UHFFFAOYSA-N	422.504	3.519	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(-c2cccc(F)c2)no1	743703207	JYFFMNCJDJRHIL-AWEZNQCLSA-N	409.465	3.819	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)NCc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	920867536	UPEYGBKBZCCDRR-DLBZAZTESA-N	401.938	3.532	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(OC4CCC4)c(F)c3)CC2)cc1	748447825	GVCBMLWQLKBVGU-UHFFFAOYSA-N	413.493	3.526	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)c3ccc(N4CCOCC4)nc3)c2C)cc1	756312809	AKXTUNCQGWSBOO-UHFFFAOYSA-N	420.513	3.611	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nc1C	751305217	DBDBFIGNPMNVRV-UHFFFAOYSA-N	401.426	3.529	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H]3CCCc4sccc43)CC2)cc(OC)c1OC	759226205	WHZZKWXOSUZJCW-KRWDZBQOSA-N	416.543	3.543	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	758778907	NFFHXQHOERVJQE-IEBWSBKVSA-N	418.582	3.896	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1cccs1	759596916	WRAKTDOZCZHOEJ-CRWWQRIJSA-N	409.463	3.622	10	20	HHCD	
O=C1NCCN1Cc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O	757925603	VHLWNRKSWNJMAI-UHFFFAOYSA-N	420.469	3.745	10	20	HHCD	
C[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1O	756595943	ANSQWBHWVMUKFD-CQSZACIVSA-N	416.474	3.973	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O	752788351	IMLPYCDADXVBIE-UHFFFAOYSA-N	411.506	3.771	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCc2ccc(N3CCCC3)cc2)C1	758406790	BEMLMLKGFNBLAO-IBGZPJMESA-N	401.551	3.940	10	20	HHCD	
CN(C)c1cc(F)c(CNc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1F	864040707	UVZRFAMKFJVMCI-UHFFFAOYSA-N	409.864	3.769	10	20	HHCD	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(Cc2ccon2)no1	762100605	FYQWLDZBEFUEKB-JLHYYAGUSA-N	418.525	3.544	10	20	HHCD	
CC(C)Cc1nnc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)s1	766838159	JHLFMLCLYAVVLB-UHFFFAOYSA-N	401.580	3.797	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cc(F)ccc2OC(F)F)C2CC2)cc1	760096661	LRMHFUYIVKODKB-UHFFFAOYSA-N	421.419	3.623	10	20	HHCD	
C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1CNC(=O)OC(C)(C)C	769424528	LCAOTYITDHLZIC-WIYYLYMNSA-N	403.567	3.648	10	20	HHCD	
O=C(Nc1nnc(CC(F)(F)F)s1)N(Cc1ccccc1O)C[C@H]1CCCO1	766235394	UMMOIQKGYMXIPQ-GFCCVEGCSA-N	416.425	3.562	10	20	HHCD	
O=C(c1ccc(-c2cncnc2)cc1F)N(Cc1ccccc1O)C[C@H]1CCCO1	775886896	JUMRZCZQHNAUNO-LJQANCHMSA-N	407.445	3.810	10	20	HHCD	
Cc1ccccc1-c1csc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)n1	775149637	PETXETSGBZZARG-UHFFFAOYSA-N	402.423	3.678	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)COc3cccc(OCC(C)C)c3)CC2)cc1	772792686	YIOLTTUXIAHHSZ-UHFFFAOYSA-N	412.530	3.894	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN[C@H]3CCCCC3(C)C)cc2F)C[C@@H](C)O1	775683473	SZJKMDUWCRWGAF-FVJLSDCUSA-N	405.558	3.614	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@@H](c4ccc(OC(F)F)cc4)C3)cc2)CC1	775676280	PBWKQTRDGBEXJQ-JOCHJYFZSA-N	417.500	3.613	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1	777266141	NTFSBFUHAKCNHU-HKUYNNGSSA-N	404.555	3.541	10	20	HHCD	
C[C@@H](NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(N(C)C)cc1	773991244	XMNLHLSBGINNIC-NXTQRVMMSA-N	412.578	3.588	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(Cl)cc3)[C@H]3C[C@H]3C)nc12	776026993	WORVAKXUZZBZHB-RNRVQEDPSA-N	414.893	3.752	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1C(=O)COc2ccccc21	777823241	RRFOQDTVBNOQFT-GOSISDBHSA-N	416.477	3.908	10	20	HHCD	
CCCn1c(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc2ccccc21	787322768	SQLNUPDTDZFPLK-UHFFFAOYSA-N	418.541	3.650	10	20	HHCD	
CC1(C)Oc2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2O1	784109245	STEILKWEHJKQJK-UHFFFAOYSA-N	409.486	3.938	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H](C)Cc3ccco3)cc2Cl)C1	787978501	YZFDMSALLNXMMT-HZPDHXFCSA-N	417.937	3.533	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2cccc(OC(C)C)c2)cc1	788965381	OXSKUOPADOLUJB-UHFFFAOYSA-N	411.546	3.595	10	20	HHCD	
CCCN(CC)Cc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1	781270790	PQLHCHDUOZUOIV-UHFFFAOYSA-N	422.573	3.839	10	20	HHCD	
CN(CCCOCc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1	798366896	MSVYAVOIJXTFPE-UHFFFAOYSA-N	413.587	3.988	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1O	795329759	BMGBQNVCEVKCQY-INIZCTEOSA-N	416.674	3.973	10	20	HHCD	
CCCCn1ncc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1C(C)C	792207256	YOWVCATYBJJDQH-UHFFFAOYSA-N	413.566	3.860	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)Cc3c[nH]c4cccc(OCC)c34)CC2)cc1	1320882333	SADUSJWAJJSRGZ-UHFFFAOYSA-N	407.514	3.857	10	20	HHCD	
O=C(NCc1ccc(NC(=O)C2CC2)cc1)NCc1ccc(N2CCSCC2)cc1	1337480215	CULZFJZZLHWEAM-UHFFFAOYSA-N	424.570	3.588	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C\c3cnn(-c4ccccc4)c3)SC2=S)c1	16881073	GGHMKPRCJFVOPC-RQZCQDPDSA-N	407.476	3.976	10	20	HHCD	
CCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1OCC	206854743	SKAMZLLENKJSMX-FOWTUZBSSA-N	409.529	3.940	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)Nc3ccccc3SC(F)F)CC2)cc1	7359638	SBLBWVUOQBNDDF-UHFFFAOYSA-N	407.486	3.771	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)sc2c1CCCC2	59170338	RJGPFNUTEKNEGQ-CYBMUJFWSA-N	404.532	3.533	10	20	HHCD	
CCn1c(-c2ccncc2)nn(CN2CCCN(c3ccc(OC)cc3)CC2)c1=S	108224501	MTSLEBCULUVEIX-UHFFFAOYSA-N	424.574	3.674	10	20	HHCD	
COC1CCN(C2(CNC(=O)NCc3c(C)c4ccccc4n3C)CCCC2)CC1	471870009	IVDVEJKWFRLRFS-UHFFFAOYSA-N	412.578	3.710	10	20	HHCD	
CN(Cc1ccc(O)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726722958	ZHJOHVLHZXTRMF-UHFFFAOYSA-N	405.445	3.804	10	20	HHCD	
CN(C)C(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	728179238	IJOGGXYRECFBLK-UHFFFAOYSA-N	405.498	3.890	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1	728839485	PUODZSASPNVYBK-QGZVFWFLSA-N	423.410	3.909	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3cc(F)ccc3F)cc2F)C[C@@H](C)O1	729497806	ZCMQTZNWABQOHU-ZIAGYGMSSA-N	407.436	3.717	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCc3ccccc3F)cc2F)C[C@@H](C)O1	731682770	VGZZIYGJEKXUTN-IAGOWNOFSA-N	417.500	3.963	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccc(Br)cn1	731845077	WZWXDRYMCSUBNG-UHFFFAOYSA-N	416.275	3.784	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1F	732290245	KTQIKXWTJWUCDL-UHFFFAOYSA-N	412.421	3.764	10	20	HHCD	
COc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)c(C)nn1C	732852287	YQMCJDVFRNXSME-UHFFFAOYSA-N	421.497	3.673	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1nc2ccsc2s1	735576269	AIAUEUIQIFBISD-UHFFFAOYSA-N	406.508	3.780	10	20	HHCD	
CC1CCN(c2cccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2)CC1	740609064	BMNNZVRZALBSKN-UHFFFAOYSA-N	413.543	3.851	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(C(=O)NCC(F)(F)F)cc1	741058797	IXFNDMXJPAIGHC-UHFFFAOYSA-N	418.419	3.677	10	20	HHCD	
C[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccco1	742748968	BQQBWHVEORIZMZ-CRAIPNDOSA-N	401.507	3.831	10	20	HHCD	
CCN(CC(=O)Nc1ccnn1C1CCCC1)Cc1cc(Br)ccc1O	744426274	PYESOXUHHMZQAN-UHFFFAOYSA-N	421.339	3.927	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)c1O	745795011	CFRUEWJYXHXJFQ-HNNXBMFYSA-N	403.910	3.688	10	20	HHCD	
Cc1noc(C)c1CN(C)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	745983259	JFALQQASKUADMW-CQSZACIVSA-N	417.465	3.526	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cc2)C1	747365910	ARFSKVUIRBXSEA-CQSZACIVSA-N	406.313	3.625	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2ccncc2)c(C)n1-c1ccc(Br)cc1	750470599	WPAVWGSDIUZFKJ-LJQANCHMSA-N	414.303	3.715	10	20	HHCD	
Cc1cc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Br	751365011	RJZVCFXHUZJWBC-UHFFFAOYSA-N	417.347	3.843	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(F)cc1F	751930806	KXYCIRKPYZSSPK-LLVKDONJSA-N	417.437	3.778	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N)cc3F)c2C)cc1	754959749	DCCDNRSVQSCNHC-UHFFFAOYSA-N	424.428	3.642	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)cc1F	756065690	IYOIPYJIIDQQMO-HBIPHATFSA-N	405.539	3.970	10	20	HHCD	
COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(C)c(O)c1O	757642123	CMQPVIIWUKJUHV-UHFFFAOYSA-N	400.294	3.519	10	20	HHCD	
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)c2)n1	760096742	MDKQYUFCPNYLAC-UHFFFAOYSA-N	418.497	3.596	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)c3cc(OC)ccc3OC)c2C)cc1	762338567	UIKNVMYSJHVNRB-QFIPXVFZSA-N	424.497	3.583	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc(N4CCCC4=O)cc3)cc2F)CC1	765851999	IMITUSHLYATYTF-LJQANCHMSA-N	424.564	3.945	10	20	HHCD	
COc1ccccc1S(=O)(=O)CCCN(Cc1ccc(N(C)C)cc1)C(C)C	766757616	LLTZALFVUNTTSQ-UHFFFAOYSA-N	404.576	3.836	10	20	HHCD	
Oc1ccc(Br)cc1CN1CCn2c(CCc3ccccc3)nnc2C1	769489266	MLAQRXXLKAONTB-UHFFFAOYSA-N	413.319	3.547	10	20	HHCD	
O[C@@H](C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1	770327142	LLGILZUTVOAGRM-REWPJTCUSA-N	402.485	3.890	10	20	HHCD	
CC(C)OC[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1	770809282	YKVBZPUDKVRNFI-HXUWFJFHSA-N	410.474	3.693	10	20	HHCD	
C[C@H](Oc1ccccc1F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771054735	VULSDGCJEFFEBE-YOEHRIQHSA-N	406.885	3.733	10	20	HHCD	
COc1cc(O)c(CN2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1OC	773258357	CXTZMDKQKOTTKT-UHFFFAOYSA-N	406.523	3.632	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C)c1ccc(N(C)C)cc1	773630488	UIQITQXQUAIHLX-BQFCYCMXSA-N	404.555	3.901	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1	773743656	GCPYYUVKCXIHIC-SBUREZEXSA-N	421.493	3.848	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)c1O	775008908	WVCSHBILSKEKDF-AWEZNQCLSA-N	405.882	3.887	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	775192451	MWFIKNLTAOHXQE-NHCUHLMSSA-N	410.514	3.557	10	20	HHCD	
COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3cc(F)ccc3O)c2C)c1	779614898	VIVZDPMXAXMXTQ-OAQYLSRUSA-N	411.477	3.916	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1	784026085	BCTUUDBEEWAXKT-UHFFFAOYSA-N	400.450	3.840	10	20	HHCD	
Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	784640456	ORIRNDXQSONNBK-UHFFFAOYSA-N	420.538	3.974	10	20	HHCD	
COCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CC[C@H](C)C1	790220525	XUEWCWSPGIDCCA-GNBUJSLZSA-N	421.557	3.786	10	20	HHCD	
CCOC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCC1	790273210	JHGFVFAXMNNFGW-UHFFFAOYSA-N	400.441	3.508	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(-n3ccc(C)n3)cc2)cc1	792957568	XMHXLMWXCLVJMW-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
NC(=O)CCNC(=O)Nc1cccc(NCc2cc(-c3ccccc3)ccc2O)c1	797894387	YBHQZGXHUYLMLK-UHFFFAOYSA-N	404.470	3.668	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCc4c[nH]nc4C3)cc2Cl)C1	799949482	PZUHJNXMZPADOQ-PBHICJAKSA-N	401.942	3.656	10	20	HHCD	
CCSc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1	803685799	LJEVESHIFVWMEM-MRXNPFEDSA-N	411.571	3.675	10	20	HHCD	
Cc1ccc(C[C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1	805023588	WRWLDEBLCDHHRM-QGZVFWFLSA-N	413.587	3.656	10	20	HHCD	
CN(C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1	805137239	FOVVKEYPEUJFFI-INIZCTEOSA-N	400.281	3.940	10	20	HHCD	
CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)NCCCSc2nccs2)cc1	806276563	HBQGPCCQQWPIIJ-OAHLLOKOSA-N	405.589	3.612	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(OC(F)F)cc1	807513197	JXFNYOWFDWVWQS-UHFFFAOYSA-N	405.184	3.555	10	20	HHCD	
COc1cccc2c(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)n[nH]c12	809149912	VPLWPAJSFVSYQA-UHFFFAOYSA-N	416.428	3.572	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F	810307125	VDWSNYFOOAJPQH-UHFFFAOYSA-N	407.417	3.579	10	20	HHCD	
Cc1ccsc1/C=C1/SC(=S)N(c2cccc(S(=O)(=O)N(C)C)c2)C1=O	814274778	BERFYPBSPFXPIT-XNTDXEJSSA-N	424.594	3.713	10	20	HHCD	
CCOCCNC(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814771514	VNBGVMHXRKYINB-OQLLNIDSSA-N	406.554	3.758	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1-c1ccncc1	815575627	WQBDCZYJFSZQDU-KRWDZBQOSA-N	402.498	3.939	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@@H]3CCCN(Cc4ncon4)C3)c2C)c1	819748211	BDNDEUIOZUNGQK-FQEVSTJZSA-N	421.545	3.736	10	20	HHCD	
COCCOc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1OC	918031432	AUXWLGNWXJCNKQ-UHFFFAOYSA-N	413.518	3.983	10	20	HHCD	
COC(=O)CCCN(C)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	918042964	JOFICELMUVGKJG-UHFFFAOYSA-N	407.308	3.882	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccn1Cc1ccccc1	919969248	RTDDZHMQLAVEQB-UHFFFAOYSA-N	403.526	3.675	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[nH]c(C)c1C(C)=O	919971733	UYYPSFZQHWOEGM-UHFFFAOYSA-N	415.509	3.508	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(-n3nnnc3O)cc2)c1	1256354412	LHLGDRVWYJSINA-UHFFFAOYSA-N	408.849	3.681	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)c3cccc(F)c3)CCC2)cc1)c1cc(O)nc(O)c1	1788427788	RGDYDGXLCGDGDK-UHFFFAOYSA-N	421.428	3.693	10	20	HHCD	
CCCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)Cc1ccccc1O	110738513	ATSICGCWUSUHQT-OAQYLSRUSA-N	412.530	3.985	10	20	HHCD	
C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1	140962731	VWHZHUTXFDBPBP-JTSKRJEESA-N	413.493	3.506	10	20	HHCD	
CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1c(C)c2ccccc2n1C	473287616	MJAIBJTVZRZFSF-HXUWFJFHSA-N	423.582	3.584	10	20	HHCD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1cc(Cl)cc(Cl)c1O	807841180	UIINONZQTYSRBP-UHFFFAOYSA-N	402.299	3.595	10	20	HHCD	
Cc1cccnc1-c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CC(C)C	802664123	YZMNKIWIHBVXJD-UHFFFAOYSA-N	420.561	3.778	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccccc3Oc3cnn(C)c3)CC2)cc1	800853858	ZJDJPNPDJVRYOQ-UHFFFAOYSA-N	406.486	3.574	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1	805244521	KKASVKWSRWQFQA-CQSZACIVSA-N	418.321	3.802	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)NC(=O)C3CCCC3)cc2Cl)C1	800571160	GEMXGIOTDYILMA-HZPDHXFCSA-N	405.970	3.887	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N[C@H]2CCc3c(O)cccc32)cc1)C1CCCCC1	803677269	KWFKBJMIXKZVHD-QFIPXVFZSA-N	421.541	3.581	10	20	HHCD	
Cc1cccc2[nH]cc(CCNC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c12	804623166	UVNSIWALFARKIY-UHFFFAOYSA-N	420.557	3.638	10	20	HHCD	
CC(C)OCc1nc([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)no1	811972315	NYTKIJBGKDDUGJ-SECBINFHSA-N	403.266	3.567	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2ccccc2Br)ccc1O	811705499	OAPGZLZVXXHXDI-UHFFFAOYSA-N	400.294	3.881	10	20	HHCD	
CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCC1	727136832	IJBNYPIZAQICOG-UHFFFAOYSA-N	419.591	3.694	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1	728522416	MDZWLRQTNCFHHZ-UHFFFAOYSA-N	405.483	3.693	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CCc1nc(O)c2c3c(sc2n1)CCC3	727170783	YRUSRBADSZMLKG-UHFFFAOYSA-N	411.527	3.963	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)c1	729056315	XLHFXWLMZOWYFU-OAHLLOKOSA-N	409.527	3.797	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	726788211	ZHXYHLVLMJICKB-UHFFFAOYSA-N	422.464	3.771	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	726244253	BSCOWCKTELLXSY-WIYYLYMNSA-N	414.550	3.560	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1C	735369746	KEFRNTLISMYROV-UHFFFAOYSA-N	416.547	3.679	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(Cl)nc(Cl)c3)cc2F)CC1	730195012	XHILQHLVCRDDGQ-UHFFFAOYSA-N	411.308	3.599	10	20	HHCD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745754593	PXQRHAGERDWGER-KURKYZTESA-N	424.536	3.676	10	20	HHCD	
CCCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	741080415	JHDORQXJKIRLKQ-CIQXWFTPSA-N	415.578	3.819	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1	745907921	RYIKEHFNHRAKLM-JOCHJYFZSA-N	424.522	3.727	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)c2C)c1	749380611	XREDVBUEZAHLBV-LJQANCHMSA-N	400.544	3.503	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1Br	742426661	KAOBDSGRJSJLDT-NSHDSACASA-N	420.285	3.852	10	20	HHCD	
COc1ccc(N(C)CCS(=O)(=O)c2ccc(Br)cc2)cc1F	757857236	NHHHULADOFZREL-UHFFFAOYSA-N	402.285	3.507	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc([N+](=O)[O-])cn2C)cc1	756262263	QIDVXNMKAHVTBU-UHFFFAOYSA-N	408.458	3.855	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)c(F)c(O)c1F	755425205	NBKVXPFHJLLUAI-JTQLQIEISA-N	416.346	3.810	10	20	HHCD	
C[C@@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1	750984542	SKHFEQXZUVKCRN-PXDATVDWSA-N	422.617	3.696	10	20	HHCD	
CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NCc1ccc(N2CCOCC2)cc1	759731078	KTOPDFMVKSXZNY-UHFFFAOYSA-N	423.435	3.763	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(Br)c3C)CC2)cc1F	753740156	OULUAQSLLPBDEO-UHFFFAOYSA-N	407.283	3.868	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCc2cc3c(OC)cc(OC)cc3[nH]2)c1	756639761	CVXAYBSDFGEKAL-CQSZACIVSA-N	412.486	3.961	10	20	HHCD	
C[C@H]1C[C@H](NCc2ccccc2OCCN2CCOCC2)c2c(O)ccc(F)c21	756481867	YZULJTXWJFESBP-LPHOPBHVSA-N	400.494	3.580	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cc(F)c(F)c(F)c1	751464828	FJHNYAYFQZKOGT-UHFFFAOYSA-N	424.238	3.783	10	20	HHCD	
COc1cccc(CNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O	764322704	VDPBIQHLMOOAPM-RDJZCZTQSA-N	406.523	3.690	10	20	HHCD	
Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1O	769998214	BAXPPBGGCZMCGZ-UHFFFAOYSA-N	404.469	3.521	10	20	HHCD	
COc1cc(N[C@@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)cc(OC)c1	768506567	VFJHSILQGOWQQN-GOSISDBHSA-N	412.534	3.556	10	20	HHCD	
C[C@@H](NC(=O)N1CCC[C@H](Nc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	764356485	GLZXKVOIASOJKE-KNQAVFIVSA-N	408.546	3.870	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCC[C@@H]2OCC[C@H]21	760910337	WCJWPPZGAGIFTN-OTWHNJEPSA-N	409.477	3.514	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1	761745580	LHWRVIUZTPLFJP-UHFFFAOYSA-N	407.919	3.791	10	20	HHCD	
C[C@H]1CN(c2ccnc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)C[C@@H](C)O1	770825794	XPBZHYUPNBUJOG-HDICACEKSA-N	408.546	3.566	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc(C)oc3C)cc2)cc1	776272270	RTGPCLLUSBVMMU-UHFFFAOYSA-N	420.512	3.806	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c1O	779480495	QOLJWWSBMGCCNL-UHFFFAOYSA-N	404.829	3.760	10	20	HHCD	
C[C@@H](CCC1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789864077	LTCUUPKSPPPRAB-SFHVURJKSA-N	417.619	3.721	10	20	HHCD	
Cc1ccsc1CNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	786821020	UIDWENQGALSMPF-CQSZACIVSA-N	419.978	3.879	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(Br)cc1	788322779	WTKPNXQSWPCABI-UHFFFAOYSA-N	413.655	3.927	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(C(F)(F)F)c(F)c1	784248945	FWOGOAYJZVLHAV-UHFFFAOYSA-N	412.383	3.726	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)COc3ccccc3C(F)(F)F)CC2)cc1	783910409	JTYTVGFRZVSRBC-SFHVURJKSA-N	424.463	3.666	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1	784029729	GDUQALRVMAQDSS-UHFFFAOYSA-N	422.510	3.711	10	20	HHCD	
CC(=O)Nc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1F	784061976	IDYMNONRSYCMTR-UHFFFAOYSA-N	412.465	3.671	10	20	HHCD	
CSc1ccccc1S(=O)(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	780712882	DPLHOMLCEAVAPW-HUUCEWRRSA-N	424.563	3.640	10	20	HHCD	
C[C@@H]1CC[C@H](COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)O1	789019254	PAAHFFIUZPKKKO-WHJZCPEBSA-N	411.570	3.840	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc(C)c1Cl	799833361	QFILKIOZPWRIPY-MRXNPFEDSA-N	415.921	3.609	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)c1ccc(N)cc1	793043427	VJWAUHBSAMJVDZ-MRXNPFEDSA-N	415.497	3.744	10	20	HHCD	
COc1ccccc1-n1nccc1/C=C1\SC(=S)N(CCCSC)C1=O	797399748	ZSGSKZUBRLLGAT-VBKFSLOCSA-N	405.570	3.835	10	20	HHCD	
O=C(CCCOc1ccccc1)Nc1ccc(CNC(=O)c2cccc(O)c2O)cc1	790537503	DOIADEODPUZTPP-UHFFFAOYSA-N	420.465	3.826	10	20	HHCD	
CCN(Cc1ccccc1F)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	1251347162	TVULOHKIOGFLHE-UHFFFAOYSA-N	400.494	3.588	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)CC2)cc1	1341406561	JEYQOCMGCFUEEV-UHFFFAOYSA-N	423.557	3.710	10	20	HHCD	
COc1c(Br)cc(Br)cc1/C=C1\SC(=S)NC1=O	16406719	RIAMROZUXKEIEA-BAQGIRSFSA-N	409.124	3.709	10	20	HHCD	
COc1ccc([C@H](CNCc2ccc(N3CCCCC3)cc2)N2CCOCC2)cc1	104864308	OWJPZVHBHWCFOK-VWLOTQADSA-N	409.574	3.849	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1F	726249805	MJKNJFSMFQGGTM-UHFFFAOYSA-N	416.472	3.591	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	728948455	HNVXRDACPXILFN-HNNXBMFYSA-N	401.532	3.514	10	20	HHCD	
COc1ccccc1C[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	730480495	BDKNCSGPHLXEOJ-QGZVFWFLSA-N	400.494	3.556	10	20	HHCD	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731015489	YFGBPGYSSZUFRD-UHFFFAOYSA-N	419.573	3.989	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(OC)c(OC)c2OC)cc1F	731363363	FUSDBHHWUWHLNC-UHFFFAOYSA-N	419.497	3.697	10	20	HHCD	
Fc1cc(CNCc2csc(C3CC3)n2)ccc1N1CCN(c2ncccn2)CC1	733325350	JOQGZBUQJSTCMD-UHFFFAOYSA-N	424.549	3.566	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1	734070553	XCTCWEVYFASAES-HNNXBMFYSA-N	420.469	3.609	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1	734528793	DFWNWSTZQZLWGA-UHFFFAOYSA-N	413.909	3.806	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCO[C@@H](C(F)(F)F)C1	740507368	NRWMVSMTFFWOMP-MRXNPFEDSA-N	406.364	3.830	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1	740813226	YXTQIGLOJQMUQO-UHFFFAOYSA-N	402.925	3.683	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC1CCN(CCc2ccccc2)CC1	740906388	FBPFFHOLFQOAGN-UHFFFAOYSA-N	404.558	3.569	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C[C@H]4CCCO4)CC3)c2C)cc1F	740943492	VYJAHZIBGPXTIG-OAQYLSRUSA-N	413.537	3.521	10	20	HHCD	
CCC(CC)[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)N1CCOCC1	745429011	LAWNDPNPIOOLIV-HSZRJFAPSA-N	418.626	3.810	10	20	HHCD	
COCCN(Cc1ccco1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745906158	XTLSDPAOHQMRHH-INIZCTEOSA-N	423.460	3.708	10	20	HHCD	
COCCN(CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ccc(OC)c(OC)c1	746478056	MKXQWKJFIYXVQV-OAHLLOKOSA-N	422.472	3.654	10	20	HHCD	
COc1ccc(N2CCCN(Cn3c(S)nnc3CCC3CCCC3)CC2)cc1	746503722	UJVAZRJFVJGHAJ-UHFFFAOYSA-N	415.607	3.868	10	20	HHCD	
COc1cccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	748009309	FXYDDUXXNWZRJO-UHFFFAOYSA-N	404.469	3.515	10	20	HHCD	
Cc1c(Cl)cc(NC(=O)C(=O)NCCCSc2nccs2)cc1Cl	749730434	PYJNIDKDDDFZMO-UHFFFAOYSA-N	404.344	3.995	10	20	HHCD	
Cc1ccc(N2CC[C@@H](OC(=O)c3csc(Cc4ccc(N)cc4)n3)C2=O)cc1	751931038	LKLOWHWQTPSUPQ-LJQANCHMSA-N	407.495	3.587	10	20	HHCD	
CCOc1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1OCC	753862145	FLGRKYVJMVVOAZ-UHFFFAOYSA-N	417.481	3.986	10	20	HHCD	
COc1ccc(N2CCN(C(=S)Nc3ccc4c(c3)OCCCO4)CC2)cc1F	753961082	HMFRPQUALLWHFN-UHFFFAOYSA-N	417.506	3.515	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@@H](C2CCOCC2)C1	755077407	KGQODJZMZAGVRE-QZTJIDSGSA-N	423.504	3.715	10	20	HHCD	
CCc1noc(C)c1CS(=O)(=O)CC(=O)c1cc(C)n(-c2ccccc2)c1C	757528300	CJQCQMXNWYANDN-UHFFFAOYSA-N	400.500	3.751	10	20	HHCD	
CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	757624123	QXZVMFKHFZQFQV-UONOGXRCSA-N	407.492	3.691	10	20	HHCD	
CCCCCC[C@H](C)NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759215842	HWYKFCYMDLXWOY-KRWDZBQOSA-N	407.555	3.903	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC	759221745	FYBNKGYQCCCOTN-UHFFFAOYSA-N	424.419	3.694	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1	759589341	HKAGSZNAFVEKEZ-CYBMUJFWSA-N	421.466	3.557	10	20	HHCD	
CCCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1	760109854	XRTSXSGVKRZVPI-UHFFFAOYSA-N	419.472	3.855	10	20	HHCD	
CC[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	760657473	PCXOBXRHYFCKEL-VNHYZAJKSA-N	405.436	3.970	10	20	HHCD	
C[C@@H]1N(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCOC1(C)C	763702967	XZACRORVCSJMDB-UESPBHMZSA-N	424.613	3.755	10	20	HHCD	
Fc1ccc(CCN2CCC(NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1	765118214	KQWYBZOHYJVHCK-UHFFFAOYSA-N	415.528	3.598	10	20	HHCD	
C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765278757	BHVOJELCGDNNMM-HOYKHHGWSA-N	417.532	3.965	10	20	HHCD	
C[C@H](NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1	766362962	UCHIOEUMVMTSCT-KKXDTOCCSA-N	404.432	3.921	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)oc1C	767898585	RVEJWWVSDUFLGH-MHWRWJLKSA-N	402.497	3.846	10	20	HHCD	
COc1cc(/C=C2/SC(=S)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1	767905883	PTXCIKRKWIZJJT-LZYBPNLTSA-N	402.453	3.671	10	20	HHCD	
O=S1(=O)CC[C@@H](N(Cc2cc3c(cc2O)CCCC3)Cc2ccccc2F)C1	768464307	PXSBTTCVHQVGQY-HXUWFJFHSA-N	403.519	3.599	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CCCN(CC(F)(F)F)C1	770302574	AJLZMEKXGLFJEP-CQSZACIVSA-N	403.408	3.609	10	20	HHCD	
COc1cc(CNc2ccc3c(c2)ncn3C)cc(I)c1OC	770587468	CFDNOVJQJVZFKY-UHFFFAOYSA-N	423.254	3.807	10	20	HHCD	
CSc1cccc(C)c1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	771288220	DDSVAIVRCYALKX-QGZVFWFLSA-N	412.559	3.740	10	20	HHCD	
CN1CCN(c2ccc([C@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)cc2)CC1	771520226	GUMVLZBPAWRYOS-IBGZPJMESA-N	404.436	3.567	10	20	HHCD	
CSc1cc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccn1	771941784	UHQOPORHVSNLFU-HUUCEWRRSA-N	418.538	3.556	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C(=O)OC(C)(C)C	772466187	XNDRXEDBFJTDSW-AEFFLSMTSA-N	404.555	3.682	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2	774122681	NJUWWZZENZMJSD-UHFFFAOYSA-N	412.490	3.744	10	20	HHCD	
C[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cc(Br)ccc1O	774492504	XLCOMFFPPDJWTR-GFCCVEGCSA-N	417.311	3.500	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1Cl	775680356	PUTYRCMJHVCHDE-ZDUSSCGKSA-N	405.882	3.841	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c2c(nc3ccccc13)CCN(C)C2	781082881	GJADBYAPIQOEDB-UHFFFAOYSA-N	402.542	3.951	10	20	HHCD	
COC(=O)c1sc2nc(/C(Cl)=C\C3=S=CC(Cl)=C3)nc(O)c2c1C	782304193	RPTJLUHYMWUIHL-RUDMXATFSA-N	401.296	3.916	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NCc3cc(Br)cc(C)c3O)c2)CC1	783704618	ZQBROMLOLLWHCN-UHFFFAOYSA-N	418.335	3.744	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)C2CCCCC2)cc1	784057746	DMIAVYZECFRVHS-UHFFFAOYSA-N	424.476	3.597	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1NCc1ccc(N2CCOCC2)cc1	788246821	NZVVJIAJHWPPRM-RTWAWAEBSA-N	403.567	3.839	10	20	HHCD	
CC1(C)CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc21	788933700	WXWCZVZUHGFVIV-HXUWFJFHSA-N	419.569	3.874	10	20	HHCD	
C[C@]12CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@@H]1C2(Cl)Cl	790674450	TYABEACCDNIZNT-WMZOPIPTSA-N	414.402	3.965	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CCCN(c2ccccc2)C1	794796234	WGJTUYYINSOVKK-INIZCTEOSA-N	413.905	3.726	10	20	HHCD	
CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	797437686	OVGIXBAREZZWOB-WIYYLYMNSA-N	411.550	3.737	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)Cc3ccccc3)cc2Cl)C1	800343707	BHHWKHMMYGHJLA-KRWDZBQOSA-N	413.949	3.551	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H](Cn1ccccc1=O)c1ccccc1	800763074	QBXKAJKVIWZUJC-JOCHJYFZSA-N	417.509	3.673	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc(Br)cnc2Cl)c(C)c(C)c1O	800839391	FNONQTBMSJLHDW-UHFFFAOYSA-N	405.701	3.929	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[C@@H]3CCC(C)C)CC2)cc1	804316283	ACLYQYKCNVLRDK-GCJKJVERSA-N	415.578	3.501	10	20	HHCD	
O=C(N[C@@H](c1ccccc1)C1CCC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	804683326	SPMOLEQHOUXDPY-GGAORHGYSA-N	422.525	3.557	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(Cc3cccs3)C3CC3)cc2)CC1	805024463	HBNSBKXGYZNJQN-UHFFFAOYSA-N	411.571	3.792	10	20	HHCD	
CC[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C[C@H](C)S1(=O)=O	805395270	LDPHIRQFIBWUPM-KSSFIOAISA-N	408.951	3.785	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(OC(C)(C)C)c1	807674263	JGUOCPQQSNHJEJ-QGZVFWFLSA-N	411.546	3.732	10	20	HHCD	
CCOCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1	810465452	HSOCZYKLVDOOED-CQSZACIVSA-N	422.445	3.837	10	20	HHCD	
CN(C/C=C\C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)CC(F)(F)F	814463611	XOESZHXXWANGSP-DAXSKMNVSA-N	409.452	3.925	10	20	HHCD	
Fc1cc(CNCCc2cnc(SC3CCCC3)nc2)ccc1N1CCOCC1	815165010	PUCNOCSWDCBGOK-UHFFFAOYSA-N	416.566	3.819	10	20	HHCD	
CNS(=O)(=O)c1cccc(CN[C@H](CCc2ccccc2)c2ccccc2O)c1	815563813	OUAMXPNQYOVXEG-JOCHJYFZSA-N	410.539	3.764	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC(C2CCCCC2)C1	819009760	OVBUQPDIWAWRAF-UHFFFAOYSA-N	420.556	3.907	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H]3c3ccccc3Cl)nc12	917165550	YELVPERNWBYMSK-KRWDZBQOSA-N	400.866	3.602	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCc3ccc(OC(F)F)cc3)CC2)cc1	917822322	UHYFKPSBVVJMAN-UHFFFAOYSA-N	404.457	3.968	10	20	HHCD	
COc1ccc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl	919969730	XLWHXWWWXFIFGS-UHFFFAOYSA-N	420.912	3.698	10	20	HHCD	
COC(=O)c1cc(Br)cc(C(=O)Nc2c(Cl)ccc3nonc23)c1	1261215724	NYTHWCGJYLJPQO-UHFFFAOYSA-N	410.611	3.678	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)CC2)cc1	1322867934	FTPRXCXXSMRYKJ-UHFFFAOYSA-N	418.541	3.779	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCn3c(nnc3C3CCCC3)C2)ccc1N1CCCCC1	1324753869	ZISXSEDDZZMLEO-UHFFFAOYSA-N	410.522	3.850	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(OC(F)F)c(OC)c3)CC2)cc1	1340946300	SVUYRCAYUXMYRA-UHFFFAOYSA-N	406.429	3.658	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)C3CC3)CCC2)cc1)c1cc(O)c(O)c(Cl)c1	1790777049	IGKPXTCLTYMEAY-UHFFFAOYSA-N	400.862	3.909	10	20	HHCD	
CC(C)COc1cccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	303019490	QSTGBYAQXRUQBC-UHFFFAOYSA-N	411.546	3.900	10	20	HHCD	
COc1ccc(-c2nnc(SCC(=O)NCc3c(C)c4ccccc4n3C)o2)cc1	471227660	LGSHLOYJZPSVLX-UHFFFAOYSA-N	422.510	3.954	10	20	HHCD	
CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccccc3)sc2C)s1	727248892	HDZFIJHYVBYHGN-UHFFFAOYSA-N	407.542	3.617	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc3c(c2)OCCO3)cc1	728839214	HUAPSZGFFRKPKV-UHFFFAOYSA-N	408.420	3.657	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCCCc3cccs3)cc2)C1	731457464	OWPCVRNUWMNBEI-LJQANCHMSA-N	413.587	3.869	10	20	HHCD	
O=C(CCCc1nnc(-c2ccccc2)o1)N(Cc1ccccc1O)C[C@@H]1CCCO1	731858283	JTUZQNWHOJQRAS-FQEVSTJZSA-N	421.497	3.973	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1ccc(F)cc1	732910495	AKVGRMLNGYVNCU-UHFFFAOYSA-N	400.460	3.936	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)o1	740032154	QZEBNNAWZGKHBI-QGZVFWFLSA-N	406.486	3.739	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)c2)CC1	740494658	HASRXYLLUKRHSO-UHFFFAOYSA-N	420.557	3.560	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)c(F)c(F)c3)cc2)CC1	741425762	LFUBIZCIBHTYTM-UHFFFAOYSA-N	405.420	3.595	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1	741435388	RWTURGSJDJBEEN-AUSIDOKSSA-N	411.546	3.603	10	20	HHCD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742799848	DAMMKXGHHLXOLK-CYBMUJFWSA-N	421.400	3.604	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOc2ccccc21	742800353	QNGHWIGYQFSZFY-BEFAXECRSA-N	402.441	3.939	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(-c2ccccc2)n1	742800436	RDHBKDWQETUSIR-INIZCTEOSA-N	412.440	3.873	10	20	HHCD	
CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)s1	743559329	HFHWOGKVNIKLLW-INIZCTEOSA-N	402.564	3.753	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903882	JPGDINVWZNZFKG-INIZCTEOSA-N	405.445	3.804	10	20	HHCD	
CSc1ccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	747458361	RCSAFHVADSHKJK-GASCZTMLSA-N	424.563	3.640	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2Cl)c1	751326828	UEWYLBQZOLQQHB-SECBINFHSA-N	420.712	3.856	10	20	HHCD	
CC[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1c(C)noc1C	754536006	BLNPAXQLFHOQSI-GOSISDBHSA-N	417.465	3.746	10	20	HHCD	
COc1cc(C)cc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1O	754727579	IWZSHLPRLCLGTK-UHFFFAOYSA-N	409.313	3.974	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccnc(Oc2ccccc2)c1	754945496	LIWVVQPMLXDZHS-UHFFFAOYSA-N	417.465	3.713	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(=O)n3C)c2C)c1	757746474	FJGDZXLSOHGLJB-UHFFFAOYSA-N	410.495	3.554	10	20	HHCD	
C/C(=C/c1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	758576778	LXWNQKAZNGKHTR-KVVHSQDJSA-N	411.933	3.761	10	20	HHCD	
CCS(=O)(=O)c1cccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	763400286	QCNQFQIGWSIZQS-UHFFFAOYSA-N	402.560	3.526	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC3CCN(c4nccn4C)CC3)c2C)c1	763591673	UUVCVEZJJADNLG-UHFFFAOYSA-N	405.546	3.843	10	20	HHCD	
O=C(NC[C@H]1CCCCN1C1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	764852743	WOHAHDKXQVLTEE-LJQANCHMSA-N	422.520	3.573	10	20	HHCD	
COCc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OC	765287573	QWTGDLGWAJHKEC-INIZCTEOSA-N	402.510	3.793	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(C(F)(F)F)ccn1	765340506	ZLSNCJYTZDFBDD-UHFFFAOYSA-N	412.387	3.522	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	768243183	IIIRPEXDGIKEPK-QGZVFWFLSA-N	404.511	3.684	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(Br)c3O)C2)nc1	768535887	DQYAVGSDCYTFTF-OAHLLOKOSA-N	404.308	3.709	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1nnc(-c2ccc(Cl)cc2)n1C	770646439	ORGDDIFCKXKTIS-UHFFFAOYSA-N	411.937	3.604	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccnn3Cc3ccccn3)cc2)CC1	772430971	CYWROXVQYFAXNB-UHFFFAOYSA-N	404.518	3.884	10	20	HHCD	
COc1cc(OC)cc(OCCCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773371365	SHXWROASLAOYSP-MRXNPFEDSA-N	401.507	3.599	10	20	HHCD	
Cc1cccc(C(=O)N2CCCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)c1	773621340	XLALIPDNXZKHPT-IBGZPJMESA-N	408.546	3.680	10	20	HHCD	
Cc1ccc2c(c1)CCN2C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	774195342	NFYDHLAWZHXHDE-UHFFFAOYSA-N	412.401	3.882	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)cc1	776900218	QIFMTARDGNKIKN-IIBYNOLFSA-N	413.493	3.936	10	20	HHCD	
Cn1nc(Br)cc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O	778243668	CLBMPHQSHSDCDK-LCYFTJDESA-N	408.346	3.627	10	20	HHCD	
Cc1cc(C(=O)CN2CCOCC3(CCOCC3)C2)c(C)n1-c1cccc(F)c1	784600264	GHIZQQKCDKDAAF-UHFFFAOYSA-N	400.494	3.545	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3cccc(C(F)(F)F)c3O)C2=O)c1	788668084	WXEHAIPORCYFBJ-XIKOKIGWSA-N	424.419	3.884	10	20	HHCD	
CC(C)(C)c1csc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)n1	789370619	NOUGXDIDAZGYMB-UHFFFAOYSA-N	413.499	3.907	10	20	HHCD	
CCNc1ccc(Cl)cc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	792342208	GBBRHKJELHHDKW-UHFFFAOYSA-N	400.910	3.726	10	20	HHCD	
COc1ccc(CNC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)c(O)c1	794376536	JBULBVFDDKKINN-UHFFFAOYSA-N	403.276	3.812	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC(F)(F)C2)NC(=O)OC(C)(C)C)cc1	795136454	INBPYXVFGIGBHP-DOTOQJQBSA-N	411.493	3.870	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C2CCC(O)CC2)c(C)n1-c1ccc(OC(F)F)cc1	795649987	MCXIHKPMTOLQOV-UHFFFAOYSA-N	421.440	3.973	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1O	796467035	ULTNNYSXMXGWOB-SFHVURJKSA-N	414.477	3.872	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	797647229	BHHPGUKLTSIFFD-JDNHERCYSA-N	404.335	3.910	10	20	HHCD	
CCOC(=O)c1cn(CCNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cn1	798254583	LQDSMIOSYGWMHA-UHFFFAOYSA-N	408.502	3.514	10	20	HHCD	
COc1ccc(CCN2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1	799204324	YOVFGBGREKHXGV-CPNJWEJPSA-N	413.520	3.910	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@]34CCOC4=O)cc2Cl)C1	800718723	CVXNXUARRNQUGW-YCRPNKLZSA-N	405.926	3.567	10	20	HHCD	
COC(=O)[C@](C)(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1	805328050	REEJZNKZSZDZGT-LJQANCHMSA-N	411.285	3.629	10	20	HHCD	
O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NCc1cc(Cl)cc(Cl)c1O	807838587	YLPBEZBYEUQLNT-INIZCTEOSA-N	409.269	3.899	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(C)c1CC(=O)O	808115197	SDPPTQARPIARSQ-UHFFFAOYSA-N	401.843	3.538	10	20	HHCD	
O=C(NC1CCCCC1)OC[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1	809719935	SFRBYQPFSFQRMV-FQEVSTJZSA-N	419.541	3.686	10	20	HHCD	
CCC(C)(C)C(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	811034105	ZSVFVZCSUKCLQW-UHFFFAOYSA-N	409.394	3.532	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3nn(C)cc3Br)ccc21	814451802	OULKXRPDAAAZNV-UHFFFAOYSA-N	420.307	3.758	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)oc1C	913517324	NGSWFBLERGPFQY-CXUHLZMHSA-N	416.480	3.739	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cc1	915222153	AVZGOCUITKYOQE-UHFFFAOYSA-N	404.513	3.945	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)cc1	916673082	YUMYQSCGTQNUMB-UHFFFAOYSA-N	407.522	3.755	10	20	HHCD	
CCC(=O)Nc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	918308785	AELDDYZOXROSHS-UHFFFAOYSA-N	422.529	3.623	10	20	HHCD	
Cc1cc(-c2nnc([C@H](C)NS(C)(=O)=O)o2)c(C)n1-c1ccc(C(C)C)cc1	1341626842	IZCZQZGVBRDLBV-AWEZNQCLSA-N	402.520	3.878	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N	1344694332	YUCXMDWSFMMORS-UHFFFAOYSA-N	421.295	3.668	10	20	HHCD	
C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	55651428	KSHNHRMDGFUENE-CYBMUJFWSA-N	416.528	3.507	10	20	HHCD	
OC1CCN(c2ccc(CNc3ccc4nnc(-c5ccsc5)n4n3)cc2F)CC1	302271183	GZFRSPKESOGZIX-UHFFFAOYSA-N	424.505	3.565	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCCCN3C[C@@H](C)O[C@H](C)C3)ccc21	434786820	IMKUVCFMJVOFHC-QZTJIDSGSA-N	415.578	3.524	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)n(C)c2ccccc12	467971845	XQYKEYJPCXKXEU-UHFFFAOYSA-N	419.464	3.801	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)CC2)cc1	726560952	YITNDOJPOCDNKJ-UHFFFAOYSA-N	424.501	3.602	10	20	HHCD	
Cc1cc(C)n([C@H](C)CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	726566844	FSPFBYXXXVONCX-MRXNPFEDSA-N	406.477	3.838	10	20	HHCD	
O=C(NC[C@H]1Cc2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726707515	CTVNDSMCVOJZJO-MRXNPFEDSA-N	401.457	3.896	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)n2)cc1	727244296	XGPMGCUFKMDHNK-UHFFFAOYSA-N	413.528	3.763	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1	728984715	SFOGGQPULSCNSK-HOCLYGCPSA-N	416.905	3.784	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cccc4[nH]ccc34)CC2)cc1	729039057	OUOJYMROOKQXET-UHFFFAOYSA-N	407.518	3.510	10	20	HHCD	
CN(CCOc1ccccc1F)C(=O)CN(Cc1ccco1)Cc1ccccc1O	732202371	NOPAETIASYWNAP-UHFFFAOYSA-N	412.461	3.664	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(F)c1	735686140	SEYZIWBUTUXXGQ-UHFFFAOYSA-N	413.537	3.811	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COc3cccc(C(=O)NC[C@@H](C)O)c3)c2C)c1	740872423	UCUKNXVVJUKMLA-GOSISDBHSA-N	420.509	3.775	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	740906399	DOMYDPMAPPYGIB-XLIONFOSSA-N	416.566	3.732	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1	740919727	JYWVZAKQOTZKDM-OAQYLSRUSA-N	405.477	3.524	10	20	HHCD	
CCN(CC)c1ccc(CN(C)Cc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1	741678536	UCEHEHWAPMMXGY-UHFFFAOYSA-N	409.513	3.815	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C(C)(C)C)cc1C	742027955	LXLFBFJMMHPENR-UHFFFAOYSA-N	410.561	3.855	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)cn2C)NC(=O)OC(C)(C)C)cc1	742750500	CSYZVOZQNDZPHN-QGZVFWFLSA-N	420.941	3.740	10	20	HHCD	
CN(C)Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742799419	ADQXZTONHXHLMB-SFHVURJKSA-N	403.473	3.748	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H](c3ccc(C)cc3)N(C)C)CC2)cc1	743329795	KFBGKKLDXIDIOQ-HSZRJFAPSA-N	410.562	3.528	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)c(Br)c1	743888755	CVCJTAOEKSXTPG-UHFFFAOYSA-N	422.298	3.641	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)c(C)c3ncccc23)cc1	743890909	FAONABAZMHAOBX-UHFFFAOYSA-N	404.514	3.953	10	20	HHCD	
CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	745692384	VGXIRVSAIVJVED-VXKWHMMOSA-N	422.573	3.551	10	20	HHCD	
Cc1nn(C)c(C)c1NC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1	746153833	XDWFMHUGXSMVDD-UHFFFAOYSA-N	407.430	3.953	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cc(F)cc(C(C)=O)c2O)cc1	750817067	IGUXLBKVADOUTG-CQSZACIVSA-N	422.522	3.615	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(Br)ccc2C)c1	751316894	DBGWAZYLQKFHKS-NSHDSACASA-N	400.294	3.511	10	20	HHCD	
Cc1ccc(-n2ncc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2C(F)(F)F)cc1	753635087	BMPFPDVTWYDNST-CYBMUJFWSA-N	419.403	3.972	10	20	HHCD	
Cc1cc(Br)cc(CNC[C@@H](Cc2ccccc2Cl)C(N)=O)c1O	757906182	KWHHOCJYGGZBAT-CQSZACIVSA-N	411.727	3.550	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(CNC(=O)OC(C)(C)C)CC1	759003167	DHSALGXIYOVCAP-UHFFFAOYSA-N	401.551	3.940	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1OC	759225551	ORKLHNQKESFRHH-UHFFFAOYSA-N	424.419	3.694	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@@]12CCCO2	760144979	YQGHGPLWOOERMM-XJUOHMSHSA-N	401.551	3.545	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@@]12CCCO2	760144981	YQGHGPLWOOERMM-XPNTWCBSSA-N	401.551	3.545	10	20	HHCD	
CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c1	761913587	QEDDOVHMKYQDEG-UHFFFAOYSA-N	424.975	3.574	10	20	HHCD	
O=C1CCc2cc(F)c(NC(=O)NCc3cccc(Br)c3O)cc2N1	765228551	STGGVTBZTLDJEW-UHFFFAOYSA-N	408.227	3.500	10	20	HHCD	
Cc1cccc(OC[C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	765314006	KGMUSHCOAZWOII-MJGOQNOKSA-N	404.938	3.576	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(Br)nc3)CC2)cc1	766173074	JEXIOORVNOGYAN-UHFFFAOYSA-N	405.296	3.643	10	20	HHCD	
CCOc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1[N+](=O)[O-]	768094596	ARLJJGOKDQJXBT-HNNXBMFYSA-N	417.481	3.945	10	20	HHCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@H](C(N)=O)c1cccc(Br)c1	768528065	DEAHWODZNJEXQZ-AWEZNQCLSA-N	401.663	3.606	10	20	HHCD	
C[C@@H]1C[C@H]1[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1	769914169	PGHCVFXKXZUYBX-PZDGAKPMSA-N	408.907	3.544	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c(F)ccc(F)c1F	771923165	VZHGDIRPPGEDPA-UHFFFAOYSA-N	418.337	3.889	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1	773000468	PXGUNEDRZWBTEU-LJQANCHMSA-N	415.603	3.788	10	20	HHCD	
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	773615763	YFRHQSVRTORJQD-CVEARBPZSA-N	403.527	3.772	10	20	HHCD	
CCOC(=O)C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccc(OC)c1	773623562	VYJADMQPHHHOLD-HRAATJIYSA-N	413.518	3.816	10	20	HHCD	
C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccc(N(C)C)cc1	773994924	QDYWHCMPOYPXOI-CYBMUJFWSA-N	414.556	3.943	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@@H](OC)c3ccccc3F)CC2)cc1	775770532	POIKSDIDNXAUAK-VGOFRKELSA-N	415.509	3.832	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)N[C@H](C)c2cc(Br)c(F)cc2O)CC1	776862538	WJAIGNZAWRKMKA-GHMZBOCLSA-N	403.292	3.811	10	20	HHCD	
CC[C@H](C)Oc1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1	776898896	BAMYESLGYXBTAF-ROUUACIJSA-N	412.534	3.656	10	20	HHCD	
O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCc1ccc(O)c(O)c1	778919498	FYTHGMJINOSCPL-UHFFFAOYSA-N	407.451	3.710	10	20	HHCD	
Cn1nc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)nc2)C1=O	779221577	XMDWRHBOEMLHNG-WTKPLQERSA-N	415.725	3.637	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c(Cl)c1	782106453	JHTKCMNTNMNDPP-UHFFFAOYSA-N	407.873	3.587	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccnc2-c2csc(C)c2)c1	782543579	FCKIKTHOZBWZCO-CYBMUJFWSA-N	411.483	3.649	10	20	HHCD	
COC(=O)[C@@H](Cc1ccc(Cl)cc1)NC1CCN(c2ccc(OC)cc2)CC1	783568834	DPOLFHYSZSCZFM-OAQYLSRUSA-N	402.922	3.691	10	20	HHCD	
COc1c(F)cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1F	784057934	HMIMQDZIVVRUAY-UHFFFAOYSA-N	403.429	3.860	10	20	HHCD	
O=C(COC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc(O)c(O)c1	784517887	OYHKERNLKYBDQP-UHFFFAOYSA-N	407.209	3.630	10	20	HHCD	
COc1cccc(Cl)c1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	790537983	XYUYCRASBGJTEJ-MRXNPFEDSA-N	404.894	3.945	10	20	HHCD	
CO[C@@H]1CCOc2c(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cccc21	790960508	ZSGXDAJXGOPYAP-OAQYLSRUSA-N	423.513	3.901	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1	792028280	OXGHSQFQNGOCLJ-ZRZAMGCNSA-N	404.558	3.560	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ncccc2Br)cc1	793292857	HVIMTBGRTBVSLB-QGZVFWFLSA-N	418.335	3.732	10	20	HHCD	
COCCN(CCOC)C1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1	795715607	DOQNDLWKNTYWSI-UHFFFAOYSA-N	412.530	3.851	10	20	HHCD	
COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C	798028672	JEVVUVHJAWIQPN-MRXNPFEDSA-N	412.490	3.893	10	20	HHCD	
Cc1ccc(-c2nnc(N(C)Cc3ccc(N4CCOCC4)cc3)n2CC(C)C)o1	802673092	DFLVXGMPKSGMKZ-UHFFFAOYSA-N	409.534	3.976	10	20	HHCD	
Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	803659639	VHAMZEXFODPODC-TZIWHRDSSA-N	411.521	3.611	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(F)cc1Br	806899401	FRMJKVIQAIEIFL-UHFFFAOYSA-N	422.298	3.526	10	20	HHCD	
CC[C@@H](CN(CC)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1	807292729	WLFCNKQOJQXSQW-NRFANRHFSA-N	405.542	3.721	10	20	HHCD	
COc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(OC)c1O	809624184	JIXPYOQJABHVGG-OAHLLOKOSA-N	408.445	3.769	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC3(c4cccc(OC)c4)CC3)CC2)cc1	811920751	QJWPSPLYWIDDQS-UHFFFAOYSA-N	409.530	3.704	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCOC(C)(C)C1	812010050	UCCCHGGSACDBEM-JENIJYKNSA-N	421.557	3.928	10	20	HHCD	
COCCOCc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	812736825	DCKBRSPXZKHCAI-SFHVURJKSA-N	402.510	3.676	10	20	HHCD	
COC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)[nH]1	815547863	FHKBTGNOZNVQJN-UHFFFAOYSA-N	407.470	3.723	10	20	HHCD	
Cc1cc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(O)c(C(C)(C)C)c1	914565288	DJEXSIDEDXCPIK-UHFFFAOYSA-N	410.514	3.685	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(C(=O)OC)o1	915840851	MIEHPIHXZXQGTE-CXUHLZMHSA-N	419.480	3.533	10	20	HHCD	
Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1cc(O)cc(Br)c1O)N3	917500423	CCYMNIFBZDNCJB-OAHLLOKOSA-N	420.288	3.941	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(C2CC2)nn1-c1ccccc1	917707471	IYHSKIGCVACPPF-UHFFFAOYSA-N	420.488	3.655	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1	917844994	LNJNKPSSMCBDAU-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1	1318716913	GHXROERQVFYTLV-DOTOQJQBSA-N	408.951	3.833	10	20	HHCD	
COc1ccc(N(C)C(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1OC	1345436621	MWXNESJWPLOXSK-ZHZULCJRSA-N	417.465	3.533	10	20	HHCD	
CC(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1	1792298150	NVUUAVNQAFSLCY-VZUCSPMQSA-N	410.470	3.607	10	20	HHCD	
CCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc21	4484543	LTUJHPOOWDCLCB-UHFFFAOYSA-N	410.543	3.506	10	20	HHCD	
CN(C)c1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1	8154552	NEKWPZGIBCQNNY-UHFFFAOYSA-N	406.457	3.818	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(C)n1-c1cccc(F)c1	23077231	NTFJUMZNRRDCLA-UHFFFAOYSA-N	419.412	3.509	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC(C)C)cc1F	52338197	CRLAYNTWSCRKRO-UHFFFAOYSA-N	401.482	3.666	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCNC(=O)Cc3cccc(F)c3)c2C)c1	109789436	OJKYJGZJALOAFK-UHFFFAOYSA-N	407.489	3.630	10	20	HHCD	
C[C@@H]1CCc2nc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)sc2C1	141547020	BDSGAUYDKBLRGY-HUUCEWRRSA-N	400.548	3.987	10	20	HHCD	
CSc1nc2ncnc(NCc3ccc(N4CCC(O)CC4)c(F)c3)c2s1	301165120	VBVCLDWXGPRRFJ-UHFFFAOYSA-N	405.524	3.521	10	20	HHCD	
CCNC(=O)N1CCc2ccc(NC(=O)NCc3c(C)c4ccccc4n3C)cc21	467960183	QRNVNPFVUJVIOT-UHFFFAOYSA-N	405.502	3.900	10	20	HHCD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1c(C)c2ccccc2n1C	471125295	PSGQTVZZAQPKBE-UHFFFAOYSA-N	405.546	3.869	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1OC(F)F	472790165	RFWLXCBEUUIPGY-UHFFFAOYSA-N	401.413	3.651	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2c(C)n[nH]c2n1	726625068	CJWJIVIDUZVXGT-UHFFFAOYSA-N	415.444	3.575	10	20	HHCD	
CCCCN(C)C(=O)C1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1	728195205	GDNURECJUGYVAU-UHFFFAOYSA-N	424.541	3.799	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C)cc3OC)cc2F)CC1	730133199	LKYHFLHBRAQSOY-UHFFFAOYSA-N	400.498	3.606	10	20	HHCD	
COC(=O)CN(CCC(=O)Nc1cccc(Cl)c1)Cc1cc(Cl)ccc1O	731845030	OCFDVUHQCPVUGW-UHFFFAOYSA-N	411.285	3.703	10	20	HHCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	732354425	LUDNDXGTGPCKIN-VIFPVBQESA-N	419.440	3.669	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	734071633	NOSKWXAYEFLAFV-GOSISDBHSA-N	407.436	3.827	10	20	HHCD	
Cc1nc(O)cc(-c2ccc(NC(=O)NCCCSc3nccs3)cc2)n1	734513482	ZFNSQTSSFBZCQZ-UHFFFAOYSA-N	401.517	3.918	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)NCc3ccc(N(C)C)cc3C)cc2)n1	734523517	DXQAADUEWFHPEM-UHFFFAOYSA-N	407.518	3.715	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1O	734843048	DNTNFMYHMPTBOV-BBRMVZONSA-N	404.772	3.578	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccnc(-n3cccn3)c2)c(C)n1-c1ccccc1	740343070	YDJJTQDCJLXGSW-UHFFFAOYSA-N	400.438	3.715	10	20	HHCD	
CC(C)=CCOc1cccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1	742078321	DVFLZPMAWWHKNX-UHFFFAOYSA-N	407.514	3.986	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1	742563241	IMWCRUJRNGEMNQ-UHFFFAOYSA-N	414.937	3.986	10	20	HHCD	
CN(c1ccc(CNS(=O)(=O)c2cccc3c2COC3=O)cc1)C1CCCCC1	742637297	NEIQQFJDFMGIQE-UHFFFAOYSA-N	414.527	3.604	10	20	HHCD	
CC1CCN(c2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cc2)CC1	743956305	PWGHXIXUSALANE-UHFFFAOYSA-N	421.541	3.762	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@@H]1c1cccc(F)c1	745646139	AHFUYZMGKLILIX-HXUWFJFHSA-N	401.457	3.583	10	20	HHCD	
CSCc1noc(CCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)n1	746890226	GDQYHFWIDSWIDX-UHFFFAOYSA-N	416.469	3.522	10	20	HHCD	
Oc1ccccc1CN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCO1	749299682	WZDVKDFPPDBYTA-PMACEKPBSA-N	409.448	3.996	10	20	HHCD	
COc1ccc(N(C)CC(=O)N(C)Cc2cc(Br)cs2)c(OC)c1	752108518	ASITYVVTHTXQNV-UHFFFAOYSA-N	413.337	3.623	10	20	HHCD	
Cc1cc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c(C)n1-c1ccccn1	752324222	MCPQKALZUIUBFB-MAUKXSAKSA-N	412.534	3.864	10	20	HHCD	
C[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1O	756489714	IPFLGCKQICBZQP-JTQLQIEISA-N	409.236	3.685	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CSCCN1Cc1ccccc1	758364850	BXNBAEYWJKFRFL-HSZRJFAPSA-N	424.614	3.704	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nnc(S)o3)cc2)cc1F	758814236	VRFCAKFPNZARDI-UHFFFAOYSA-N	400.479	3.941	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1nc(-c2cccc(F)c2)no1	759583801	KRKJBSZJRTZFPB-LLVKDONJSA-N	407.496	3.875	10	20	HHCD	
COc1cc(N2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cc(OC)c1OC	759873720	ZSHLQFPFVOWQOZ-INIZCTEOSA-N	424.501	3.646	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1	761984065	VNICLFDYFFJDNO-CPOQMQJTSA-N	406.438	3.642	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCc3c(F)cccc31)c2[N+](=O)[O-]	763752504	FPYGHGNXDRBELV-UHFFFAOYSA-N	416.364	3.712	10	20	HHCD	
Cc1cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c(C)n1C[C@@H]1CCCO1	764413202	WXJITSIMXMZJPL-SLHXSTLSSA-N	403.529	3.673	10	20	HHCD	
Cc1noc(C2CN(C(=O)c3cc(C)n(-c4ccccc4Br)c3C)C2)n1	765665961	FHSKEEGBNOXQRR-UHFFFAOYSA-N	415.291	3.788	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2)nc1	769860069	LJHXPBRVIMISGW-UHFFFAOYSA-N	413.455	3.512	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)c2)CC1	770147995	NPSZCUKHQZPSGE-UHFFFAOYSA-N	415.921	3.896	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C(=O)NC1CC1)c1ccccc1	772798439	RFRCNCLTOUCUNW-LJQANCHMSA-N	403.320	3.997	10	20	HHCD	
C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(N(C)C)cc1	773988079	IWVSDZVNVPKDSI-OAHLLOKOSA-N	424.570	3.670	10	20	HHCD	
CC(C)[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc2nc(O)oc2c1	774390573	JWRWSZKVWSRKIK-AVRDEDQJSA-N	422.529	3.722	10	20	HHCD	
C[C@H]1CN(c2cccc3cnccc23)CCN1Cc1ccc(N2CCOCC2)cc1	775205294	RXSWLLQLIQSTLN-FQEVSTJZSA-N	402.542	3.782	10	20	HHCD	
COC(=O)CCN(Cc1cc(Br)cc(Br)c1O)C(C)C	775701285	JKSUHIJSSPZIGM-UHFFFAOYSA-N	409.118	3.691	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Br)c(C)cc2C)c1	777135048	YYJOCFJJYYDHCW-LBPRGKRZSA-N	421.291	3.596	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](n3cncn3)C2)c(C)n1-c1cccc(Br)c1	777221624	LAMCQXQBMMBRCG-KRWDZBQOSA-N	414.307	3.535	10	20	HHCD	
Cc1nc(NCC(=O)NCc2ccc(O)c(O)c2)c2cc(-c3ccccc3)sc2n1	778919144	VNIBSGVWFDZVAP-UHFFFAOYSA-N	420.494	3.806	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@]23CCOC3=O)c(C)n1-c1ccccc1Br	779253591	NLSYYBIVCZJOOZ-HXUWFJFHSA-N	417.303	3.778	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	782578639	LGLHUXWYRXOIHA-RTBURBONSA-N	414.550	3.698	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(N3CCCC3=O)cc2)C2CCCCC2)cc1	784059557	NGXZGUPELHICAH-UHFFFAOYSA-N	420.513	3.700	10	20	HHCD	
Cc1cc(C(=O)CN2CCC3(CC2)COC(=O)N3)c(C)n1-c1ccc(C(C)C)cc1	784457692	PZODLJPWRYTZGE-UHFFFAOYSA-N	409.530	3.975	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	788544643	FWVQXIWCVPSLFT-QLFBSQMISA-N	402.470	3.781	10	20	HHCD	
CCCCn1ncc(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C(C)C	790317960	IEWZDDARMNNQBK-UHFFFAOYSA-N	413.566	3.576	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c(O)c1	794379526	OUVDCEFBSXWOGJ-LJQANCHMSA-N	419.319	3.617	10	20	HHCD	
COc1ccccc1-n1nccc1/C=C1/SC(=S)N(CCc2cccnc2)C1=O	797397402	CNRWEBBZMWWWEM-CPNJWEJPSA-N	422.535	3.720	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c(O)c1	797614445	FCQURGOVTUFXBZ-UHFFFAOYSA-N	404.316	3.925	10	20	HHCD	
COC(=O)c1c(F)cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F	801843371	AQPRHRUQTQZENU-OAHLLOKOSA-N	420.412	3.670	10	20	HHCD	
CN(C)CCOc1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	804945873	UNEJIFKMBKMJGG-UHFFFAOYSA-N	412.317	3.639	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccc3c2CNC3=O)cc1	806754116	IKTJKGIEYBWBDS-UHFFFAOYSA-N	404.470	3.823	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)c1	806810372	LIHOINAPUDSKJD-KRWDZBQOSA-N	406.280	3.509	10	20	HHCD	
C[C@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	807691711	QJCHPXXPQOUMNT-GAJHUEQPSA-N	405.542	3.683	10	20	HHCD	
Cc1oc2ccccc2c1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	809499426	XKVSVNCRTZWEEL-UHFFFAOYSA-N	405.498	3.615	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NCc3cnc(C4OCCO4)s3)C2)cc1	809624190	JMIKICVQHLQLPN-ZDUSSCGKSA-N	411.474	3.549	10	20	HHCD	
CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1	809723089	BFDPVSMFBOFSCZ-IBGZPJMESA-N	421.557	3.932	10	20	HHCD	
COCC[C@H]1COCCN1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	813159371	ZSOJQTHKSMHSOZ-WMZOPIPTSA-N	409.958	3.523	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C2CCC(OC[C@@H]3CCCO3)CC2)C2CC2)cc1	814932326	CUNMOIVOQHZYAC-HXJXPZHGSA-N	400.563	3.998	10	20	HHCD	
OC[C@H](CNCc1cc(Cl)c(F)cc1O)Cc1cccc(Br)c1	816591455	FFOLWHFCKWFBHK-LBPRGKRZSA-N	402.691	3.888	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc3nn[nH]c3c2)cc1	842894583	UQXJSEGCXXPNOQ-UHFFFAOYSA-N	401.470	3.880	10	20	HHCD	
CCOc1ccccc1C(F)(F)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	857464314	BHKHIZIELRLOJB-UHFFFAOYSA-N	408.420	3.674	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(F)c(Br)c1	917392361	QHWYOMOGHJXTAO-UHFFFAOYSA-N	421.310	3.626	10	20	HHCD	
COc1ccc(Cl)cc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	917709829	GGMJSXJSAQPNGR-HUUCEWRRSA-N	420.912	3.960	10	20	HHCD	
CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	920044311	QWEXWBUGCJHDAD-MJGOQNOKSA-N	424.545	3.887	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1	920926411	NNMUWCHNLVYVPM-INIZCTEOSA-N	415.921	3.609	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@](O)(C3CC3)C2)c(C)n1-c1cccc(Br)c1	1116846381	LEZKDZQSZHIIQR-FQEVSTJZSA-N	403.320	3.844	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1c(F)cccc1Br	1252907631	RTQNJKLZDIJPGF-UHFFFAOYSA-N	414.281	3.908	10	20	HHCD	
CCOC(=O)c1ccn(-c2cccc(NC(=O)NCc3ccc(N(C)C)cc3C)c2)n1	1318585107	MBKKLCWLSRTTPD-UHFFFAOYSA-N	421.501	3.745	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC2(O)CCN(C(C)C)CC2)c1	1319223555	XBBQUWLKFXQJJG-UHFFFAOYSA-N	403.954	3.713	10	20	HHCD	
Cc1cc(-c2nnc([C@@H](C)NS(C)(=O)=O)o2)c(C)n1-c1ccc(C(C)C)cc1	1341626844	IZCZQZGVBRDLBV-CQSZACIVSA-N	402.520	3.878	10	20	HHCD	
O=C(c1ccc(F)cc1)c1ccc(Cl)cc1N[C@@H]1CCN(C2CCOCC2)C1=O	1343044556	VQZOTGJZOQHASE-LJQANCHMSA-N	416.880	3.902	10	20	HHCD	
Cc1ccc(C(=O)N2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)s1	472231670	USKBQVGQDHUZJS-UHFFFAOYSA-N	410.543	3.524	10	20	HHCD	
CCOC(=O)[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1cccc(O)c1	494911923	VBWLYWYCQWCOLU-JOCHJYFZSA-N	424.497	3.644	10	20	HHCD	
O=S(=O)(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1cccc2nsnc12	531106309	VUUQTONJHMFTMM-UHFFFAOYSA-N	417.447	3.559	10	20	HHCD	
C[S@](=O)Cc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726566066	XUHXGFSQZPPOTJ-LJAQVGFWSA-N	422.497	3.565	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)c2c(c1)C[C@@H](C)O2	727861641	YYRJBTIMNBGFAU-WIWNTQSISA-N	414.508	3.828	10	20	HHCD	
O=C1/C(=C/c2cc(Cl)c3c(c2)OCCO3)SC(=S)N1CCc1cccnc1	727863629	HYPWQIUDYIUCAE-YBEGLDIGSA-N	418.927	3.950	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	728021600	IBZKIMFNUHUUQE-UHFFFAOYSA-N	415.559	3.709	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1occc1CN1C(=O)Cc2ccccc21	728516512	SAOAAVXTUHWRCY-UHFFFAOYSA-N	415.493	3.899	10	20	HHCD	
CC(C)[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)N1CCCCC1	729324857	JJBCIBARSVLCPZ-JBYIUTFZSA-N	405.558	3.566	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)c1	729535413	QNPLZGMQWAMUMQ-GFCCVEGCSA-N	401.463	3.939	10	20	HHCD	
Cn1ccnc1COc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	731845401	ZZBIZUUXAZRDAQ-QFIPXVFZSA-N	407.514	3.886	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCN1CCN(c2ccccc2)CC1	731898009	XQYYBPKQVSDZSK-UHFFFAOYSA-N	408.590	3.704	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N(C)Cc1ccccc1	732469529	IBQRXULNMVBLKX-DENIHFKCSA-N	411.546	3.603	10	20	HHCD	
COc1ccc(Oc2cc(CNC(=O)NCc3cc(OC)ccc3O)ccn2)cc1	734064946	NXAHTPSBDMYTTK-UHFFFAOYSA-N	409.442	3.596	10	20	HHCD	
Cc1ccnc(-c2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cc2)n1	734656281	VOHNONHTQJDOSQ-UHFFFAOYSA-N	403.486	3.610	10	20	HHCD	
C[C@H](NC(=O)Nc1ccccc1C(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1	735751848	YAUYRINCRCFODM-KRWDZBQOSA-N	424.545	3.934	10	20	HHCD	
CCOc1cc(CCCNC(=O)N[C@H](C)c2cc(OC)ccc2O)ccc1OC	736403315	SROHCAJGLOXCQM-OAHLLOKOSA-N	402.491	3.801	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccccn1	736467513	CFUBARNSXZMKIL-WYMLVPIESA-N	403.554	3.788	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(-c2nccn2C)c1	736972404	DDFPFMLMHIACGK-UHFFFAOYSA-N	405.502	3.588	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1F	740072192	LAWSXCONVVKRHN-UHFFFAOYSA-N	408.518	3.527	10	20	HHCD	
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1	740800918	IADNETLAEVVYFE-UHFFFAOYSA-N	401.532	3.570	10	20	HHCD	
CCN1CCN(c2ccc(CNc3nc(-c4cccc(OC)c4)no3)cc2F)CC1	742404036	MQQOYSDOZLQNDI-UHFFFAOYSA-N	411.481	3.638	10	20	HHCD	
Cc1nsc(N2CCCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)n1	742850303	YVKWRTOKXSFZNM-UHFFFAOYSA-N	413.522	3.746	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C)c(C(N)=O)c1	743140924	YEMAXPVAAVSIBR-UHFFFAOYSA-N	406.280	3.616	10	20	HHCD	
CO[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743557736	LJYJFWBOOSRUEL-YLJYHZDGSA-N	419.472	3.944	10	20	HHCD	
C[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCN(C(=O)c2ccccc2)C1	743719330	YGCMYVNPNKFAKU-RUZDIDTESA-N	406.526	3.830	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)OCc2csc(CS(C)(=O)=O)n2)c1	744885168	QDSAQCITXDPMHI-UHFFFAOYSA-N	418.540	3.761	10	20	HHCD	
Cc1cnc([C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)s1	745866062	GMDDBZAVRZTSEO-IEBWSBKVSA-N	401.532	3.999	10	20	HHCD	
CC(C)OCCN1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	747590528	JMUQEWJBHOPMGE-UHFFFAOYSA-N	404.599	3.562	10	20	HHCD	
C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	748737540	OYEFONVUHQGLDQ-HNNXBMFYSA-N	420.425	3.995	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1nnc(-c2ccccc2)o1	749203341	JKHGFABNJAOGPB-UHFFFAOYSA-N	407.518	3.965	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1c[nH]c2cccc(Br)c12	753020466	GMFDUUAWBFCRJM-ALCCZGGFSA-N	401.260	3.714	10	20	HHCD	
COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1	753919062	TZJZZJRIGJYYFW-UHFFFAOYSA-N	416.839	3.783	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1cccc(F)c1)c1cc(Br)c(F)cc1O	756455323	COXFMPDTZPZHRQ-CMPLNLGQSA-N	402.235	3.523	10	20	HHCD	
C[C@H](NCCc1cccc(C(=O)N(C)C)c1)c1cc(Br)c(F)cc1O	756596349	CHBXBBRCPOESQW-LBPRGKRZSA-N	409.299	3.889	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC([C@H](O)c4nccn4C)CC3)c2C)cc1	760878761	LLYBEXWZJDNWNQ-DEOSSOPVSA-N	420.557	3.764	10	20	HHCD	
CN(C)c1ccc(CN2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)cc1	760946457	CQSOLRKTZIVFQQ-QGZVFWFLSA-N	402.292	3.650	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)c1	761973212	OFJMPTXGWWKDPE-SNVBAGLBSA-N	424.354	3.630	10	20	HHCD	
C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc([N+](=O)[O-])c1	762100701	SDWAKPRILFGRHH-KSSFIOAISA-N	417.893	3.838	10	20	HHCD	
Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CO2	763668244	YKPUNHOETYEEFF-GQIGUUNPSA-N	413.493	3.681	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)c2C)c1	766953784	GQIJMOWTIBYHIQ-XUZZJYLKSA-N	420.557	3.907	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1	768528904	LUXGLWXJTVEELK-IEBWSBKVSA-N	411.340	3.891	10	20	HHCD	
O=C(C[C@H]1OCCc2ccccc21)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768916438	QNRFQVDMIWDDPA-DENIHFKCSA-N	414.933	3.830	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCOC4(CCCCC4)C3)CC2)cc1	769093567	CCAYZTWKIXKOKP-LJQANCHMSA-N	401.551	3.845	10	20	HHCD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1	769127000	NXNZIAGBGNEWPS-IBGZPJMESA-N	421.607	3.795	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(CC(=O)NCCO)cc3)c2C)c1	769273358	WCOLIGXQMJEJOU-UHFFFAOYSA-N	419.525	3.614	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2c(O)cccc2Cl)c1	769766216	RYSDXHNYFHCHHL-UHFFFAOYSA-N	409.873	3.790	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1	770350673	ICIPOMPECJXVSP-GHTZIAJQSA-N	403.567	3.791	10	20	HHCD	
Cn1cnn(-c2ccc(NC(=O)N(Cc3ccccc3O)C3CCCCC3)cc2)c1=O	771461421	OYUOIUCEGSKCMD-UHFFFAOYSA-N	421.501	3.643	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1)c1ccc(N(C)C)cc1	773856090	IWESBRYMMPTHEC-MRXNPFEDSA-N	404.470	3.756	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1C1CCCCC1	776434395	MLDIGYBHPRGZFC-UHFFFAOYSA-N	412.534	3.578	10	20	HHCD	
COc1cc(OC)c(NC(=O)NCc2ccc(N(C)C)cc2)cc1Br	778250696	QYYQDARXYQFILI-UHFFFAOYSA-N	408.296	3.854	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(O)c(O)c2)nnn1-c1ccc(C(C)(C)C)cc1	778924171	XDHUONIHCNNLRD-UHFFFAOYSA-N	408.502	3.859	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1	779479971	RKVRELVGCCPOBK-NBEHIINDSA-N	404.869	3.857	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C\c3ccc[nH]3)c2C)cc1	782332826	ZRJKNQOTJXEKLV-FLIBITNWSA-N	406.438	3.648	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(C)c1	782429137	KASNNJFOPVJVPA-UHFFFAOYSA-N	421.497	3.830	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)cc1	782780020	ATHFNUCOVCLNCB-UHFFFAOYSA-N	405.502	3.520	10	20	HHCD	
Cc1ccncc1/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	783912908	NRYUPZVPKSTZAR-HWKANZROSA-N	405.420	3.575	10	20	HHCD	
Cc1nnc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)c2)o1	784060381	YFJBSIFUVKPRQF-UHFFFAOYSA-N	419.485	3.932	10	20	HHCD	
O=C(C[C@H](O)c1ccc(OCc2ccccc2)cc1)OCC(=O)c1ccc(O)c(O)c1	784630058	NVHZOPZMVYUWJW-NRFANRHFSA-N	422.433	3.526	10	20	HHCD	
Cc1cc(N2CCC(NC(=O)N(Cc3ccccc3O)C3CCCCC3)CC2)n[nH]1	784655989	FMMIZTBPSWWZST-UHFFFAOYSA-N	411.550	3.937	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(Br)cc1	786625730	RGUZDZYQQWWXQM-UHFFFAOYSA-N	419.319	3.600	10	20	HHCD	
CC(C)Oc1ccccc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	786861065	XMCVBYBLZGSQDL-UHFFFAOYSA-N	411.546	3.593	10	20	HHCD	
COc1ccc(F)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1OC	788196630	AIYLLISYBZPVSS-UHFFFAOYSA-N	424.419	3.843	10	20	HHCD	
COc1ccc([C@H](CN[C@H](C)c2c(C)cc(C)cc2O)N2CCOCC2)cc1OC	788501664	GMKJIUOXCMHCJU-QUCCMNQESA-N	414.546	3.750	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)cc1C(F)(F)F	790071108	ARRAOXVTBZEWLK-UHFFFAOYSA-N	421.418	3.720	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1CCOc2ccccc21	791249404	FYYINNPSABGETP-HXUWFJFHSA-N	410.514	3.941	10	20	HHCD	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C	792618566	NWSVIWNHQHUKKF-MRXNPFEDSA-N	400.523	3.864	10	20	HHCD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)O2	793119337	XFFXMWGYYDGUNV-MFEFFIJZSA-N	412.505	3.758	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1	797619387	ZAPRQLHSRRCDLX-HNNXBMFYSA-N	411.502	3.913	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@](C)(CNCc2ccc(N3CCOCC3)c(F)c2)C1	798274936	CJGFZVTVHSKKJO-QHCPKHFHSA-N	421.557	3.789	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@@]3(C)CCN(Cc4ccccc4)C3)ccc21	798392481	AFMVIWHSWQUZOC-RUZDIDTESA-N	406.574	3.780	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)c(C)n1-c1cccc(Cl)c1	804439628	YFZJMJNKBOJOHU-FOIQADDNSA-N	401.938	3.683	10	20	HHCD	
C[S@@](=O)Cc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	805869679	YVJGJGYIMARSIA-RUZDIDTESA-N	401.315	3.577	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1nccs1	807257310	KHGFBTFBNFZLKO-KRWDZBQOSA-N	401.532	3.778	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(Cl)cc1	808010733	BVDNZCYZYAJEEW-UHFFFAOYSA-N	406.916	3.968	10	20	HHCD	
COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1	812562255	OISVXZSVOZWXBJ-UHFFFAOYSA-N	418.496	3.563	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1c[nH]c2cccc(Br)c12	819761425	PYFQIZRPDXWVGP-UHFFFAOYSA-N	408.292	3.981	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CCO)C(F)(F)F)c(C)n1-c1cccc(Br)c1	820313439	AWSNVUQLAZFDLV-HNNXBMFYSA-N	419.241	3.900	10	20	HHCD	
CCN1CCN(C(=O)c2ccc(NCc3c(O)cccc3Br)cc2)CC1	864002739	PULUPDVYUHQWBI-UHFFFAOYSA-N	418.335	3.545	10	20	HHCD	
Cc1nn(C)c(=O)c(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1C	878582531	HTOQQZSDPVUUNI-UHFFFAOYSA-N	419.441	3.608	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(OC[C@H]2CCCO2)c1	917383798	NGHQAWYIQRFJII-JOCHJYFZSA-N	412.555	3.728	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C(=O)O	917862668	HXEJZFSBDJKVFA-UHFFFAOYSA-N	416.543	3.813	10	20	HHCD	
CCC(CC)N1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1=O	918710275	WHUJBONYJFWSLA-IBGZPJMESA-N	411.546	3.912	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnsn2)c(C)n1-c1ccc(OC(F)F)cc1	919484969	VAJOWAQDLCPIEB-UHFFFAOYSA-N	407.398	3.587	10	20	HHCD	
CON(C)C(=O)[C@H](CCSC)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1319279908	YCQKJISNONNSGS-SFHVURJKSA-N	423.966	3.619	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3cc(C)ccc3OC)CC2)cc1	7809368	BOBULEWCZZSELR-UHFFFAOYSA-N	400.544	3.594	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)CCc3cccc(Cl)c3)CC2)cc1	41837040	JSBGLGMDZIXIAW-UHFFFAOYSA-N	415.965	3.610	10	20	HHCD	
Cc1ccc(Cl)c(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c1Cl	525212870	FSNZCCKGYDGGBV-UHFFFAOYSA-N	401.315	3.956	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@@H](C)N(c4ccccc4)C3=O)ccc21	460522768	JOGKKLMATYCNBQ-ZHRRBRCNSA-N	419.525	3.828	10	20	HHCD	
CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806395897	CNECBZPKTSEXFB-UHFFFAOYSA-N	421.277	3.953	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1	802610375	WPRLYFKZYJIEMM-UHFFFAOYSA-N	418.877	3.600	10	20	HHCD	
COC(=O)CCC[C@H]1CCC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	815120823	VWGLHVWGTFPCNE-IEBWSBKVSA-N	406.542	3.779	10	20	HHCD	
COc1cc(F)c(F)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	810351790	UWVIHTAPZIFDGA-UHFFFAOYSA-N	417.456	3.561	10	20	HHCD	
CCc1ccccc1OCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1	812387698	QFKQHIVWHDZWSV-SFHVURJKSA-N	422.529	3.798	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C)c3c(C)cc(C)cc3O)CC2)cc1	815556926	IPWMIZCYYKAUSN-GOSISDBHSA-N	402.560	3.821	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1O	729859695	WMEQWSNWLNZCOY-CQSZACIVSA-N	422.441	3.807	10	20	HHCD	
Cc1ccc(CN(CC(=O)N(C)CC(F)(F)F)c2ccc3c(c2)OCCO3)s1	727150420	QGMIGWNUGADQED-UHFFFAOYSA-N	414.449	3.855	10	20	HHCD	
O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cn(-c2ccccc2)nn1	728700747	VJROQWGAYLORAU-RAXLEYEMSA-N	409.371	3.940	10	20	HHCD	
O=C(CCOc1ccc(Cl)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	736195036	AATAFWMDMFBVRE-UHFFFAOYSA-N	402.922	3.634	10	20	HHCD	
Cc1cc(C(=O)NCc2nncn2C(C)C)c(C)n1-c1cccc(Br)c1	732764474	RHGNKCFTBIRCMD-UHFFFAOYSA-N	416.323	3.959	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2nccn2CC(F)(F)F)C1	733334334	HDAWULKNHLANRQ-HNNXBMFYSA-N	402.848	3.559	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC(C)(C)c3cccc(F)c3)cc2F)CC1	737049919	PTWSWGQFAWDDMM-UHFFFAOYSA-N	416.516	3.841	10	20	HHCD	
C[C@H]1CN(Cc2ccc(C(=O)NCCCSc3nccs3)cc2)C[C@H](C)O1	733883724	AJOIQGIZCPETJP-HOTGVXAUSA-N	405.589	3.665	10	20	HHCD	
COc1cc(F)c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	730667258	QYHUDVGWLYKZRQ-CQSZACIVSA-N	403.454	3.562	10	20	HHCD	
O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	918740515	VHROMMZWVUVQFI-UHFFFAOYSA-N	408.407	3.560	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC)cc1	918187223	ZLSWVMWPEZVQLO-HXUWFJFHSA-N	401.482	3.621	10	20	HHCD	
CN(CCCNC(=O)NCc1ccc(N2CCSCC2)cc1)Cc1ccccc1	916196836	IXIZINKTRLJATL-UHFFFAOYSA-N	412.603	3.561	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(OC2CCCC2)c1	741097028	JCBVGVKHVJGGFL-UHFFFAOYSA-N	405.498	3.639	10	20	HHCD	
C[C@H](Oc1cccc(F)c1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800415	QZLZGLNGUQKAGK-HOCLYGCPSA-N	408.420	3.980	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCN(C(=O)c4cccnc4)CC3)c2C)c1	749349861	PJJYWQMGEPATFS-UHFFFAOYSA-N	416.525	3.704	10	20	HHCD	
CCN(Cc1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)=O	915350158	JXOYEOJPLKDXJJ-UHFFFAOYSA-N	424.545	3.556	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2OCC(F)(F)F)cc1	918428941	DBNKLIBBMIAUKZ-UHFFFAOYSA-N	423.435	3.729	10	20	HHCD	
Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	746802197	OCHDBPIBUXJARN-UHFFFAOYSA-N	406.404	3.853	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)OCCCO2	743809306	SETGNCDAWVQSTQ-UHFFFAOYSA-N	406.276	3.978	10	20	HHCD	
CC[C@@H](C)Oc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	919910156	CJJKWNIXOFZMIF-IEBWSBKVSA-N	424.545	3.887	10	20	HHCD	
Cc1cccn2cc(CCNC(=O)N(Cc3ccco3)Cc3ccccc3O)nc12	746775155	CMSRCSJHHDSCGZ-UHFFFAOYSA-N	404.470	3.896	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1Br	742426656	KAOBDSGRJSJLDT-LLVKDONJSA-N	420.285	3.852	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)c1O	745795012	CFRUEWJYXHXJFQ-OAHLLOKOSA-N	403.910	3.688	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cc(Cl)cc2cccnc12	741099570	FXWLFTSDDZBYAQ-UHFFFAOYSA-N	406.873	3.519	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)CCC(=O)N2C	759384396	POIVWUWPMPLZED-UHFFFAOYSA-N	417.303	3.726	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc2c1O[C@H](C)C2	756269552	QCFXCRFDEMVTIB-VGSWGCGISA-N	424.541	3.906	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Br)c(Br)c1	757528965	JUFMAGLEHUJFGL-XYOKQWHBSA-N	422.076	3.673	10	20	HHCD	
CCN1CCN(C[C@H](C)CN[C@H](C)c2cc(Br)cc(Cl)c2O)CC1	756535459	QEMHHXNELBGEGY-ZIAGYGMSSA-N	418.807	3.732	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc4ccccc4cc3O)CC2)cc(OC)c1OC	759226171	VZADZHIMDBTYIG-UHFFFAOYSA-N	422.481	3.534	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@H](C)c3ccccc32)c(C)n1-c1ccc(S(N)(=O)=O)cc1	920407239	SHDGPGYORIUGOI-HNNXBMFYSA-N	423.538	3.548	10	20	HHCD	
CCN1CCN(C[C@@H](C)CN[C@@H](C)c2cc(Br)cc(Cl)c2O)CC1	756535453	QEMHHXNELBGEGY-KBPBESRZSA-N	418.807	3.732	10	20	HHCD	
CC(C)CSCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	756054565	CQYLLFDOYZJUKB-UHFFFAOYSA-N	419.513	3.730	10	20	HHCD	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)[C@H]4CCNC(=O)C4)n3)c2C)cc1	754261788	SZTZEQWEQJLMQV-INIZCTEOSA-N	408.527	3.991	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1C	764065980	BIWAEEMKPNSVEO-WMZHIEFXSA-N	408.590	3.501	10	20	HHCD	
COc1ccc(Br)c(C(=O)NCc2cccc(Br)c2O)c1	765755149	GULSEQWKQOQZBS-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	765033595	YRISUSISQVFDGR-GOSISDBHSA-N	411.502	3.957	10	20	HHCD	
C[C@@](O)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1Cl	765231269	WUDSXWIWEXYFDH-OAQYLSRUSA-N	419.978	3.600	10	20	HHCD	
O=C(c1ccsc1)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	768928495	AKEWJYYVWFMTOS-UHFFFAOYSA-N	414.531	3.605	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1	769531136	UJPREERZZJVHMG-QFIPXVFZSA-N	420.465	3.685	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1F	763273471	WTOCGPCTDHMNFT-UHFFFAOYSA-N	412.383	3.620	10	20	HHCD	
Cc1cc(C(=O)NCc2csc(O)n2)c(C)n1-c1cccc(Br)c1	764396641	XHJPXAFFHUWRKB-UHFFFAOYSA-N	406.305	3.949	10	20	HHCD	
CCC(CC)C(=O)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	768339388	QLGVPIMEFPMHCD-UHFFFAOYSA-N	402.539	3.666	10	20	HHCD	
Oc1ccccc1CN(Cc1nc(-c2ccc(F)c(F)c2)no1)C[C@@H]1CCCO1	767900672	SXYPDNAQRAKSTO-INIZCTEOSA-N	401.413	3.902	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1O	763093394	YGABJRRYDBOBAJ-IFXJQAMLSA-N	421.900	3.686	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(CO)c1	762934332	LMYHPNFKUJJBRU-WJDWOHSUSA-N	418.565	3.861	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2c(s1)CCOC2	771055173	BHDQHOSSTRQQBP-INIZCTEOSA-N	406.935	3.574	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1[C@@H](C)C1CC1	777418967	JIASZYBZLHOFJS-KXBFYZLASA-N	416.953	3.916	10	20	HHCD	
C[C@H]1CN(c2ccnc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)C[C@H](C)O1	772376903	KFUNHHLMBLOOAE-ROUUACIJSA-N	421.497	3.836	10	20	HHCD	
CSc1ccc(-c2csc(NS(=O)(=O)c3cnc4c(cnn4C)c3)n2)cc1	1116663705	QDKFBWMADSDVLG-UHFFFAOYSA-N	417.541	3.615	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cn(C)c2ccccc12	773063014	LVAZGXAWZWCYPQ-SFHVURJKSA-N	405.542	3.807	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1	777196890	NSVFIAARVJGPLU-OAHLLOKOSA-N	401.482	3.830	10	20	HHCD	
COCC(=O)N1CCc2cc(N[C@H](C)c3cc(Br)ccc3O)ccc21	779064740	MGXZYDIGORHCET-GFCCVEGCSA-N	405.292	3.863	10	20	HHCD	
Cc1cc(C(=O)CN2CCC3(CC2)CCN(C)C3=O)c(C)n1-c1ccc2c(c1)CCC2	773923767	IZQWMJVYZAIZBA-UHFFFAOYSA-N	419.569	3.710	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1	773762697	NVGYPEVBAOVVMY-MRXNPFEDSA-N	404.466	3.735	10	20	HHCD	
CCCCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	773610694	KTDZXIIPMVAINH-UYAOXDASSA-N	402.583	3.932	10	20	HHCD	
C[C@@H](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	773744220	PZRYWRNKYDHQGW-JZXOWHBKSA-N	420.550	3.818	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccnn1Cc1ccc(F)cc1	779459029	TULYRIXHIMUGPL-UHFFFAOYSA-N	423.492	3.571	10	20	HHCD	
CC(C)Oc1c(F)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F	773844796	HDXMLXXMKMPTRL-ZDUSSCGKSA-N	405.445	3.634	10	20	HHCD	
CC(=O)N(c1ccccc1)c1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)cs1	772776191	OUROSSBQEOZSJY-CSKARUKUSA-N	410.451	3.996	10	20	HHCD	
Cn1nc(Br)cc1/C=C1/SC(=S)N(CCc2cccs2)C1=O	779220775	HWDFWGJWIQRARN-YRNVUSSQSA-N	414.375	3.688	10	20	HHCD	
C[C@@H](NC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)c1ccc(N(C)C)cc1	773627626	PNGHLDXDKGDOFQ-MRXNPFEDSA-N	414.937	3.521	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Cl	788760603	IUMWSYIEOXJDIA-UHFFFAOYSA-N	407.873	3.771	10	20	HHCD	
CCc1nc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)sc1C	789486523	OPAHGNFCKKASNT-UHFFFAOYSA-N	400.548	3.505	10	20	HHCD	
COC(=O)CCc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	786427860	VLFCFTSVXOEHFG-UHFFFAOYSA-N	423.513	3.679	10	20	HHCD	
CN(C)CCc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1	784112111	MMJDGIMZLQJIIP-UHFFFAOYSA-N	408.546	3.535	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)c2)CC1	784114882	VAHAFGOSEKXGDL-UHFFFAOYSA-N	409.383	3.799	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cnc4ccccc4c3)cc2F)C[C@@H](C)O1	786111596	BGRVSKRLIIQUII-CALCHBBNSA-N	423.488	3.683	10	20	HHCD	
CSc1ccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	798096501	MNRJPOAVQNWHBM-UHFFFAOYSA-N	417.550	3.551	10	20	HHCD	
NC(=O)C1CCN(CCc2ccc(NCc3c(O)ccc(Cl)c3F)cc2)CC1	790978964	QZJXCNYHXZUZAC-UHFFFAOYSA-N	405.901	3.537	10	20	HHCD	
COc1ccc(CNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1	794380366	BABQAEYIYCPOLA-RDJZCZTQSA-N	406.523	3.690	10	20	HHCD	
CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1	799636059	FHXIUFQDEGCQHT-UHFFFAOYSA-N	423.466	3.591	10	20	HHCD	
CNC(=O)COc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)c1	797680270	GFXWJXPSYVQBCF-UHFFFAOYSA-N	424.545	3.774	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)c(O)c1	797633123	WADJNWNERZZEPX-UHFFFAOYSA-N	407.426	3.614	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccnn3-c3ccccc3)cc2F)C[C@@H](C)O1	791527873	VYLKJDHXBYQNBK-IAGOWNOFSA-N	408.477	3.555	10	20	HHCD	
CCOc1ccc(N2CCN([C@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)CC2)cc1	1324213237	JYIMAJWAMMTAOA-MBSDFSHPSA-N	411.521	3.709	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2nc(Cc3ccccc3)no2)cc1	1357678883	RYDLPHOHXXLMTG-UHFFFAOYSA-N	407.518	3.549	10	20	HHCD	
C[C@@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12	11193305	RDYFWNLZOADADS-HXUWFJFHSA-N	417.553	3.986	10	20	HHCD	
CCCCOc1ncccc1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65433725	GJQRSTFPDWHJSD-GOSISDBHSA-N	412.534	3.658	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccn(-c2ccccc2Cl)n1	109589943	WJIPTQDKQHKPJB-UHFFFAOYSA-N	410.905	3.635	10	20	HHCD	
CC1CCN(c2ccc(CNc3ncnc4c3c(Br)nn4C)cc2)CC1	301213974	WRLGXWDPSMFJJF-UHFFFAOYSA-N	415.339	3.974	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCN(c4cccc(OC)c4)C3)ccc21	484336195	RNBQWRZFMHZGQX-FQEVSTJZSA-N	421.541	3.922	10	20	HHCD	
Cc1c(CNC(=O)Nc2cc(F)c(N3CCOCC3)cc2F)n(C)c2ccccc12	494045784	AQHOFULNABIRFK-UHFFFAOYSA-N	414.456	3.923	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3cccc(C(=O)OC)c3)ccc21	508390138	DHNNTGJJBOGSGU-UHFFFAOYSA-N	408.498	3.664	10	20	HHCD	
Cc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1OCC1CCOCC1	525483392	PITQMCDPVHVOFV-UHFFFAOYSA-N	419.528	3.606	10	20	HHCD	
CCc1c(-c2ccncc2)n[nH]c1NC(=O)C1=S=c2c(sc3ccccc23)=C1	590475306	HCOILMCBYSDUJE-UHFFFAOYSA-N	404.520	3.838	10	20	HHCD	
CC(C)COC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	726245633	LHOUFFCLONJABH-NQIIRXRSSA-N	415.534	3.890	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	726249494	HWVIITUAFSAJNZ-RDJZCZTQSA-N	422.545	3.727	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3F)n2)cc1	727242991	NZSPYTXDSUIOHO-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
Cc1ccccc1CN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1	727600993	KWHSGKYXRPSHRT-UHFFFAOYSA-N	411.521	3.969	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1(c2ccc(F)cc2)CCC1	728745547	CSNZIJAHFCMSHX-UHFFFAOYSA-N	401.457	3.680	10	20	HHCD	
C[C@@H](c1cccc(NC(=S)NCCCN(C)c2ccccc2)c1)N1CCOCC1	729163395	LXULJUALLABOGK-IBGZPJMESA-N	412.603	3.893	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)c1	729535942	WXKVOQIJNIUKDK-LSDHHAIUSA-N	402.516	3.647	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)OCC(C)C)CC2)cc1F	731404201	JBXRBTVYTYYJKP-UHFFFAOYSA-N	422.545	3.682	10	20	HHCD	
COc1ccc(Cl)cc1CNC(=O)CN(Cc1ccco1)Cc1ccccc1O	732202376	NXPGSGUDSZQVAD-UHFFFAOYSA-N	414.889	3.966	10	20	HHCD	
C[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccncc1	735962695	PMYKPIZPWZMWEE-GFCCVEGCSA-N	402.362	3.683	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnc(-c4ccccc4)[nH]3)cc2F)C[C@H](C)O1	736070425	VQNYRXYCTQCXNA-HOTGVXAUSA-N	408.477	3.759	10	20	HHCD	
Cc1ccc(Nc2cccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2)nn1	736072312	GKWUEBLPKKHAOT-SFHVURJKSA-N	417.513	3.856	10	20	HHCD	
Cc1ccc(O)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	743725048	BGGQRWCSMPEPOR-LJQANCHMSA-N	413.518	3.762	10	20	HHCD	
CCc1cc(N2CCC[C@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2)ncn1	745816283	FAEHOSQGWLXJMC-NRFANRHFSA-N	424.593	3.694	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCc2ccc(O)cc2C1	745906093	WATIGAFNZRICOJ-QGZVFWFLSA-N	417.456	3.730	10	20	HHCD	
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1	747856913	OEQXCHDIKAELEV-QUCCMNQESA-N	402.583	3.759	10	20	HHCD	
O=C(NCc1ccccc1O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	748349138	AEJSZUUHZGPYDU-UHFFFAOYSA-N	416.886	3.776	10	20	HHCD	
COCCCOc1cccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	753894023	RIDPZRGWYOMACT-UHFFFAOYSA-N	417.481	3.604	10	20	HHCD	
CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	756235786	LWOFONZTFDDSOR-HXUWFJFHSA-N	408.458	3.985	10	20	HHCD	
COc1ccccc1N1CC[C@H](N[C@@H](C)c2cc(Br)c(F)cc2O)C1=O	756741086	BPZURTDOPUHMAH-NHYWBVRUSA-N	423.282	3.759	10	20	HHCD	
COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(Br)cc2O)C1=O	756742771	OEKJRLBYSMCXAX-DOMZBBRYSA-N	405.292	3.619	10	20	HHCD	
COc1cccc(OC)c1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	757392658	FULAZPNIIORQIK-UHFFFAOYSA-N	410.436	3.903	10	20	HHCD	
Cc1ccc(CNC(=O)NCCCSc2nccs2)c(OC[C@@H]2CCCO2)c1	759585423	KCRQICRXGKZBPK-KRWDZBQOSA-N	421.588	3.991	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(-c2nc(CCc3ccco3)no2)c1)c1cccs1	762327737	PRPOFAXOULXDJR-UHFFFAOYSA-N	417.468	3.683	10	20	HHCD	
COc1cc(NCc2cc(Br)cc(OC)c2O)ncc1Br	762627228	ZYLFUEDXQBBQFU-UHFFFAOYSA-N	418.085	3.942	10	20	HHCD	
C[C@H]1CCS(=O)(=O)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	763853600	ODJKYMSIXWLRHG-INIZCTEOSA-N	400.504	3.550	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C1(c2ccc(F)cc2)CCOCC1	765731713	KROSARJTXUZIES-UHFFFAOYSA-N	408.267	3.658	10	20	HHCD	
CC(C)Cn1ncc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1C(C)C	766574098	XAHZZOVXDKCOMX-UHFFFAOYSA-N	412.534	3.502	10	20	HHCD	
Cc1ccc(NCc2cc(Br)ccc2O)cc1NC(=O)CCN(C)C	767191279	TVOYUGXGVQENFT-UHFFFAOYSA-N	406.324	3.965	10	20	HHCD	
CCOc1cccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1O	767192204	OLYHTJWBWMOEGS-MRXNPFEDSA-N	408.420	3.700	10	20	HHCD	
CC(C)(C)OC(=O)NCCN(Cc1ccccc1)Cc1cc2c(cc1O)OCO2	767484976	WUUBKBCHNNICRC-UHFFFAOYSA-N	400.475	3.648	10	20	HHCD	
CN(C)c1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cc1	768791954	MEJNFMVBKYOHAS-INIZCTEOSA-N	417.351	3.761	10	20	HHCD	
C[C@@H](C[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1)NC(=O)OC(C)(C)C	769686565	WBBIHQAAPVUUOM-MSOLQXFVSA-N	405.583	3.677	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccc(C(N)=O)c(Cl)n2)cc1)C1CCCCC1	773884433	NRDXHPCAEJQEPD-UHFFFAOYSA-N	400.910	3.533	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(N(C)C)cc1	774483869	PXGYIDAQGCTWAO-FRBILKQBSA-N	412.578	3.586	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3c(OC)cccc3OC)sc2C)cc1	775139594	NMZUEIJKPRZEGN-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
COC(=O)N1CCC([C@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	776877520	PLKATHRDZGIPAL-SFHVURJKSA-N	416.566	3.589	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	777543565	FBPNUQCZDXNVOG-NRFANRHFSA-N	417.912	3.553	10	20	HHCD	
CC[C@]1(CO)CCCN(Cc2cc(Br)cc(Br)c2O)C1	779210916	RVCURFCTJDCGMT-HNNXBMFYSA-N	407.146	3.902	10	20	HHCD	
COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782896545	QUIHJVXZSOWBRD-UHFFFAOYSA-N	424.497	3.787	10	20	HHCD	
COc1ccc(OC)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	782896943	WBVPFUBAAPFBQT-UHFFFAOYSA-N	412.486	3.709	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CC1	783505528	SPPVGGHNSUBJPX-GOSISDBHSA-N	407.530	3.542	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC[S@@](=O)c2cc(Cl)ccc2Cl)cc1	784560263	KXOCJZMLFCIMHW-AREMUKBSSA-N	416.326	3.789	10	20	HHCD	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785423989	JKVHLHXWDPWFEL-AWEZNQCLSA-N	407.436	3.607	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCSC(C)(C)CC2)c([N+](=O)[O-])c1Br	788564367	CJUJULCXGJNLEX-UHFFFAOYSA-N	420.285	3.996	10	20	HHCD	
O=C(NCc1ccccc1O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O	788766519	VYRJKCVWVSRDKF-OAHLLOKOSA-N	408.285	3.694	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3nc(C(C)(C)C)cs3)cc2)CC1	789487180	UTZLFRURICZIJE-UHFFFAOYSA-N	414.575	3.932	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790934402	LYCXGYLFGJIEQN-WMZOPIPTSA-N	419.525	3.515	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2CCC(NC(=O)C3CC3)CC2)cc1	792987430	ACVZQNSXIFUIBI-UHFFFAOYSA-N	423.557	3.959	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cc(Cl)cc(C(=O)N(C)C)c2OC)c1	793572578	AXLGQVNMPGZIIZ-NSHDSACASA-N	406.866	3.716	10	20	HHCD	
Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)cc(F)c1O	793618549	UWKODPGRQNXNCU-INIZCTEOSA-N	424.904	3.712	10	20	HHCD	
COc1cccc(C(=O)CCCC(=O)NCc2ccc(N3CCSCC3)cc2)c1	794238459	KYEYXEXLKZXPFM-UHFFFAOYSA-N	412.555	3.918	10	20	HHCD	
CCCc1c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1cc(C)ccn1	797644864	FEHQXZONWCOVLJ-OAHLLOKOSA-N	409.490	3.692	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(NC(N)=O)c3)cc2Cl)C1	800343209	GWNRVYIZDKQWSJ-AWEZNQCLSA-N	400.910	3.997	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H](O)c1cccc(C(F)(F)F)c1	803213292	PWXJKGSEAMGCAC-CQSZACIVSA-N	404.182	3.523	10	20	HHCD	
Cc1ccccc1[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C	805877832	UNPDLNHAMFTFLH-REWPJTCUSA-N	424.541	3.722	10	20	HHCD	
O=C(Nc1cc2n(n1)CCCC2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806719804	FYYGCQVTJBFXRY-CQSZACIVSA-N	405.449	3.611	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3nc(-c4ccco4)cs3)cc2)CC1	806891900	VEYZPNLBNGALDU-UHFFFAOYSA-N	424.526	3.894	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)NCc2cc(Br)ccc2O)c(Cl)c1	807386977	SXVVIUIPONTYPK-UHFFFAOYSA-N	411.683	3.680	10	20	HHCD	
Cc1cnc([C@@H](C)CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)s1	808823771	VCXHYCCNXPYLLA-HNNXBMFYSA-N	415.559	3.738	10	20	HHCD	
CN(C)CCOc1ccc(N(C)Cc2nc3ccccn3c2Br)cc1	809639197	JDSYJGPZOZSBHX-UHFFFAOYSA-N	403.324	3.674	10	20	HHCD	
C[C@@H](NCc1cccc(Br)c1O)[C@@H]1CN(Cc2ccccc2)CCO1	809654860	RSHPJTCIINBMBI-BEFAXECRSA-N	405.336	3.534	10	20	HHCD	
CC[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(C(F)(F)F)cc1O	810235195	NAFGOJYFFXWZPR-INIZCTEOSA-N	409.408	3.579	10	20	HHCD	
Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	810353220	CMDLYNYAZKZMDH-UHFFFAOYSA-N	420.435	3.605	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1	812047268	FSZDVCBJEBYAQR-RBUKOAKNSA-N	413.522	3.732	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(N2CCCNC2=O)cc1	812889285	POMRFGGUFXTTNQ-SFHVURJKSA-N	419.529	3.543	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c([N+](=O)[O-])c1	818020104	UZHPZLZVVCNAGP-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
CC(C)(C)c1csc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	916669567	DWTHJJDKUAXKBO-UHFFFAOYSA-N	406.527	3.863	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1	917089903	NNTMMPGYEUPTCN-UHFFFAOYSA-N	421.585	3.689	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(O)c1C	917379972	STFGZIFPJSIIIA-UHFFFAOYSA-N	408.420	3.794	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc4ccc(OC)cc4nc3C)CC2)cc1	918369739	RLNLOLORRFXAAI-UHFFFAOYSA-N	405.498	3.913	10	20	HHCD	
Cc1cc(C(=O)NCCCCN2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1	920456814	ARKCGGCVIQFBCW-UHFFFAOYSA-N	402.970	3.505	10	20	HHCD	
Cc1cccc2nc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cn12	1318737214	KFVDMMDANPQLIP-OAHLLOKOSA-N	400.429	3.643	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H]3OCCC[C@@H]3C2)c(C)n1-c1ccc2c(c1)OCCO2	1319584807	UIAPFUNXNHGVDV-GCJKJVERSA-N	410.514	3.549	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(Cl)cc1Br	1320399692	SHLNKSJUXONTJW-JTQLQIEISA-N	414.683	3.640	10	20	HHCD	
CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1816821066	DLCBXLUBCZGDDZ-AWEZNQCLSA-N	406.870	3.580	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1	9932574	WFCREYSIPIACSU-UHFFFAOYSA-N	422.504	3.798	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1	11853422	VPTVPDSLIJHWHR-UHFFFAOYSA-N	422.356	3.944	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)cc1	72082564	VDRPXCHFCNPUBT-UHFFFAOYSA-N	422.573	3.628	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCC[S@](=O)Cc3ccccc3)cc2)CC1	303654728	LJMXWKARXAITOG-LJAQVGFWSA-N	413.587	3.671	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)N3CCOc4cc(N(C)C)ccc43)c3c2CCC3)cc1	437011467	VUICSBCUHZRDCX-UHFFFAOYSA-N	402.498	3.775	10	20	HHCD	
COC(=O)Nc1cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccc1F	727596639	YWNUPRKOVZLVOD-UHFFFAOYSA-N	416.453	3.803	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)c1	729280033	HJFDOZYGACHQQZ-WDEREUQCSA-N	411.285	3.703	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2OCC(C)C)cc1F	731408894	ZMXGATDGVCJAPU-UHFFFAOYSA-N	415.509	3.962	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)cc1	732257849	FZOFDJIGMAGHCL-VWLOTQADSA-N	423.376	3.719	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)c1	734072898	TWMKQJZRCHZGQK-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
CCOCCCN1CC[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1	734508718	CTEUYEAUWDHMQK-FPOVZHCZSA-N	418.582	3.812	10	20	HHCD	
O=C(Cc1csc(-c2ccccn2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	735518828	LZOLWOLZGWLEKV-GOSISDBHSA-N	409.511	3.661	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	741908449	APYGIIZODDITCV-GJZGRUSLSA-N	401.438	3.586	10	20	HHCD	
COc1cccc(COCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742798454	NUMKVNSFMVXFQN-QGZVFWFLSA-N	420.456	3.598	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc(-n2cccn2)cc1	743807457	ASFDGVIZDUZTNQ-UHFFFAOYSA-N	414.303	3.932	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCCNc1ccccn1	745563939	ZROUJWFUQZSXNC-UHFFFAOYSA-N	407.312	3.583	10	20	HHCD	
CCCCCn1nc(C)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	748954152	JUDXYFHWCABUNG-UHFFFAOYSA-N	413.566	3.912	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1F	749558147	INPJPINPZATINK-UHFFFAOYSA-N	422.545	3.869	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1F	749931295	XFVWUGWNEGRFCO-UHFFFAOYSA-N	403.473	3.578	10	20	HHCD	
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	751137032	PGMOLSFBAHVRMD-UHFFFAOYSA-N	408.451	3.963	10	20	HHCD	
CCOc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1OCc1cccnc1	753640984	XBEGRURCBKGEII-INIZCTEOSA-N	422.481	3.832	10	20	HHCD	
COc1ccc([C@H](C)CCNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753917170	AAOUOZYCYIZWJY-QGZVFWFLSA-N	415.509	3.868	10	20	HHCD	
COc1ccc(NC(=O)NCCCSc2nccs2)cc1N1CCCCC1=O	753943443	NWKKMJGFRZQNHR-UHFFFAOYSA-N	420.560	3.973	10	20	HHCD	
C[C@@H](NC(=O)N(CCCO)[C@@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1	754366116	MFYBUGDCLRMPDL-NTKDMRAZSA-N	423.557	3.666	10	20	HHCD	
COc1cccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCSCC4)cc3)[nH]2)c1	755565905	YLSGRLJDWMVSBX-UHFFFAOYSA-N	422.554	3.877	10	20	HHCD	
COC(=O)CCOc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1	755984276	JCLOTHFMUOZZCC-UHFFFAOYSA-N	407.488	3.567	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(OCC(F)(F)F)c(OC)c2)c1	756394172	AQKJJVOFJOMYDO-GFCCVEGCSA-N	413.392	3.979	10	20	HHCD	
COC(=O)c1cccc(-c2nc(COC(=O)/C=C\c3ccc(O)c(O)c3)cs2)c1	759598732	XWVPJZVQISYQDM-VURMDHGXSA-N	411.435	3.765	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccccc1O[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1	760061349	HUGMUXJPESBQBR-XLIONFOSSA-N	411.502	3.574	10	20	HHCD	
C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CC[C@@H](C(F)(F)F)C1	761047757	XAUUCTQNBLKWDA-CHWSQXEVSA-N	416.399	3.673	10	20	HHCD	
O=C(N[C@@H]1COc2ccc(Cl)cc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	762359721	YIPFUYYLXUAJFF-FUHWJXTLSA-N	402.878	3.870	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC1CC(OCc2ccccc2)C1	764805047	IFFSJPFNGNHWNE-UHFFFAOYSA-N	405.292	3.702	10	20	HHCD	
CCS[C@H](C)c1noc(CN(C)C(=O)NCCCSc2nccs2)n1	767096231	IGZJJGQZQZCMNQ-LLVKDONJSA-N	401.583	3.664	10	20	HHCD	
Oc1ccccc1CN(Cc1cn(-c2ccc(F)cc2Cl)nn1)C[C@@H]1CCCO1	768163433	YXJCSQRQFRYQDP-SFHVURJKSA-N	416.884	3.947	10	20	HHCD	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cs1	768846984	AKCCIJUNTHGEAO-UHFFFAOYSA-N	409.470	3.516	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)c1	769978374	NLZMFJVTKACLJF-LJQANCHMSA-N	406.479	3.564	10	20	HHCD	
Cc1ccc(F)c(CN(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	770262527	VMHDMWYGRMJSME-UHFFFAOYSA-N	403.473	3.576	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccccc1OC(F)F	771234171	KIABWBHHZGFOIK-UHFFFAOYSA-N	419.472	3.521	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(OCC(=O)NC2CC2)cc1	773621760	DSNUQTCRMSCVNJ-IAGOWNOFSA-N	424.545	3.531	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1O	775061079	QJYWTNPXMKYLAX-XUVXKRRUSA-N	411.502	3.699	10	20	HHCD	
COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	775405619	SSQAZHOTHXHRAQ-CQSZACIVSA-N	403.504	3.890	10	20	HHCD	
CCC(CC)[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCO1	778751033	CZKBAUVUPWSHEN-DYESRHJHSA-N	407.530	3.650	10	20	HHCD	
COC(=O)CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(F)(F)F)cc1	779214865	HLTMHLUDQYZHLJ-UHFFFAOYSA-N	422.447	3.717	10	20	HHCD	
Cc1ccc(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)c(O)c1O	780950853	OLEQQKUMVVADMY-AWEZNQCLSA-N	419.319	3.688	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cn(-c4ccccc4)nc3C)CC2)cc1F	781468136	FYNWEQMHCSLMKB-UHFFFAOYSA-N	409.465	3.683	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1F	783155815	QSLHWRXECXZKFO-UHFFFAOYSA-N	420.416	3.506	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(N)cc1	783487670	YHSBIZIVSATJQG-HNNXBMFYSA-N	404.426	3.910	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1nccnc1Sc1ccccc1	783912187	SPSLQNJZTSJVTA-UHFFFAOYSA-N	424.501	3.534	10	20	HHCD	
COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784106289	JTJBFBFWJLSIAC-UHFFFAOYSA-N	424.545	3.501	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)sc1Cl	788884310	NDVAQILJAFGRJF-UHFFFAOYSA-N	402.994	3.742	10	20	HHCD	
CCOC(=O)c1csc([C@H]2CCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)n1	792195768	FKTZVNZFSRAMDM-CYBMUJFWSA-N	411.867	3.924	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cc(C)ccc1O	796401009	BOJNMQVYURFPCS-UHFFFAOYSA-N	404.532	3.886	10	20	HHCD	
CO[C@@H]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@@H](C)C1	799424139	IPQWWYSRGBQMDQ-XKSMIVTLSA-N	424.613	3.755	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(C)(=O)=O)o3)cc2Cl)C1	800049540	QJCQSWGRGKNBGM-CYBMUJFWSA-N	410.923	3.503	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(S(=O)(=O)CC)s1	802310035	XRADXDPXVMKQDC-UHFFFAOYSA-N	410.561	3.759	10	20	HHCD	
CC(C)OC[C@@H]1C(=O)N(Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C(=O)N1C	804188240	KVNHEWDAYIBJME-HNAYVOBHSA-N	407.942	3.764	10	20	HHCD	
CC(C)(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)NC(=O)OC(C)(C)C	805165879	XKYCHHNMHFQSLP-UHFFFAOYSA-N	406.310	3.802	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cnn2ccccc12	807465098	DPAQCMMRJMFSQE-UHFFFAOYSA-N	403.280	3.534	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1	807673433	SSNSEUVOMFEKOA-CQSZACIVSA-N	407.436	3.607	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1	807912449	IABMWVWKOCFVFZ-DENIHFKCSA-N	424.541	3.805	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CC(NC(=O)OC(C)(C)C)C3)cc2F)C[C@@H](C)O1	809607023	MTEQDMUPEXHMTQ-BXXOZEPKSA-N	407.530	3.585	10	20	HHCD	
O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)NCc1ccccc1O	811922555	MLTYGUTZXJYBIC-UHFFFAOYSA-N	406.364	3.546	10	20	HHCD	
CNC(=O)c1cc(Oc2cccc(N[C@H](C)c3cc(C(=O)OC)ccc3O)c2)ccn1	813884762	OBLICIGQICGWST-CQSZACIVSA-N	421.453	3.899	10	20	HHCD	
C[C@@H](OCc1ccc(F)cc1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857471989	DGNWWYOORSPNOS-QRWLVFNGSA-N	420.912	3.871	10	20	HHCD	
CCOCc1nc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1	857472606	MMYBATZNQMHZDG-INIZCTEOSA-N	423.966	3.741	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(C(=O)OCc2ccccc2)CC1	915597810	GCCDRZXGMFZMDX-UHFFFAOYSA-N	421.541	3.952	10	20	HHCD	
O=C(NCCCc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	915886025	RCOPVSYVFZBIEM-UHFFFAOYSA-N	421.463	3.974	10	20	HHCD	
COc1ccc(N2CCCN([C@H](C)C(=O)NC(=O)Nc3ccc(C)cc3C)CC2)cc1	917208692	MZFQNDUTYZGXAH-LJQANCHMSA-N	424.545	3.561	10	20	HHCD	
CCC[C@@H](C)NS(=O)(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1	919963783	DWPYQCSCUCETCW-QGZVFWFLSA-N	402.564	3.761	10	20	HHCD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1	921071829	HGDNFOPNILEETF-HXUWFJFHSA-N	416.566	3.876	10	20	HHCD	
CN(CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)Cc1ccccc1	1115953685	XPHPRDBEWJWGCC-UHFFFAOYSA-N	403.473	3.505	10	20	HHCD	
CCCNC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	1120822966	ULGQORCKMRJSHQ-ZDUSSCGKSA-N	406.324	3.501	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(F)cccc1Br	1200971931	XDQDSKZBKPPTGK-UHFFFAOYSA-N	415.328	3.865	10	20	HHCD	
Cn1cc([C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc2)cn1	1320206662	YHCNVRYZSSBZAM-JTHBVZDNSA-N	420.513	3.606	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1	1323209356	WELQJPAOXZPDIY-UHFFFAOYSA-N	406.442	3.504	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(OC)c1	13058526	KPOXKWAMJQQADY-PXNMLYILSA-N	401.465	3.808	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(C(N)=O)cc2)cc1	98071307	SGKVCXXJNIORTN-UHFFFAOYSA-N	403.482	3.707	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3c(Cl)cccc3Cl)CC2)cc1	218399592	HDVSDSRYYXWVIG-UHFFFAOYSA-N	422.356	3.944	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1	302727007	SNXVMBBLFKMARK-UHFFFAOYSA-N	422.407	3.894	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cn1ncc2c(Br)cccc21	303531465	WTEZTLAOXBYLNQ-UHFFFAOYSA-N	415.335	3.725	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnc(S)n3-c3ccccc3)CC2)cc1	726562214	FYPWCQSZIILLTR-UHFFFAOYSA-N	408.527	3.568	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1	726563665	QTGKJPVFPLHQLC-UHFFFAOYSA-N	404.514	3.897	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCN(C)C(=O)OC(C)(C)C)ccc21	728611561	ORLSEXNOIOMQSR-UHFFFAOYSA-N	403.523	3.501	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c1	728978117	MSVUENOPCKRUNQ-GHMZBOCLSA-N	412.255	3.947	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCn2c(S)nnc2-c2cccc(C)c2)c1	728985660	ZPWJIISMFZEAIH-AWEZNQCLSA-N	412.515	3.524	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cn3c(C)cc4ccccc43)cc2F)CC1	730194855	RGMRSRBMEQNXNO-UHFFFAOYSA-N	408.521	3.547	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCCOc3ccc(C)cc3)cc2F)CC1	730195029	YOXPNPWISZIESX-UHFFFAOYSA-N	413.537	3.751	10	20	HHCD	
O=C1/C(=C/c2ccc(OC(F)(F)C(=O)O)cc2)SC(=S)N1c1cccnc1	730732939	RWVHNINPODEBIZ-JYRVWZFOSA-N	408.407	3.544	10	20	HHCD	
COC1CCN(C(C)(C)CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	730908293	WTJWOXMIOBVFQB-UHFFFAOYSA-N	416.610	3.708	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccccc4F)n3)ccc2N1	731059149	XHDFJZJXSKANKO-UHFFFAOYSA-N	403.460	3.635	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCCNC(=O)c3ccc(F)cc3)c2C)cc1	732128980	JROLWIJHAAMEIS-UHFFFAOYSA-N	423.488	3.792	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3cccc(F)c3F)cc2F)C[C@@H](C)O1	732823427	TYNXZYURCCWRIY-GASCZTMLSA-N	421.463	3.759	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3c[nH]c4ccc(OC)cc34)CC2)cc1	733645405	HPMBSMHLFVIKEW-UHFFFAOYSA-N	422.529	3.696	10	20	HHCD	
O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCCSc1nccs1	735053230	BWWXFLQEUHIUIR-UHFFFAOYSA-N	401.897	3.772	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl	741096688	ATSZJWPIEFGCGU-UHFFFAOYSA-N	413.905	3.760	10	20	HHCD	
CC(C)n1cc(Br)cc1C(=O)NCc1ccc(N2CCOCC2)cc1	742572767	GUDWBSWXDKDXRW-UHFFFAOYSA-N	406.324	3.598	10	20	HHCD	
O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N(Cc1ccco1)Cc1ccccc1O	743428988	VEUQRQAXRXRXOJ-QHCPKHFHSA-N	420.509	3.805	10	20	HHCD	
CCCCNC(=O)c1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1	743557880	VLODDFSFQKZUMR-UHFFFAOYSA-N	409.530	3.800	10	20	HHCD	
C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1ccccc1Cl	743675663	QELGCGKHSRCVNH-KRWDZBQOSA-N	417.937	3.786	10	20	HHCD	
O=C(NC1CCN(C[C@H]2CCOC2)CC1)N(Cc1ccccc1O)C1CCCCC1	745830673	CGSLOOFSXLOLIR-LJQANCHMSA-N	415.578	3.737	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cn1C	745994840	QOFJYVXZQGMGAI-UHFFFAOYSA-N	419.528	3.661	10	20	HHCD	
CCc1ncsc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	747476608	VWSWHGSNAREWIJ-UHFFFAOYSA-N	400.548	3.729	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)o1	748091599	DVMJPEQGOPLEGO-UHFFFAOYSA-N	406.485	3.997	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)s1	749920663	YGJDDIBPBDVGFH-HIFRSBDPSA-N	405.951	3.523	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2nc3cc(C(F)(F)F)ccc3n2C)cc1	753591621	MZRISZWVCROJPO-UHFFFAOYSA-N	407.392	3.780	10	20	HHCD	
O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCSc1nccs1	755368742	GUZRIJPCOFSOIM-UHFFFAOYSA-N	416.322	3.655	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(F)cc(Cl)c3)n2)c[nH]1	755426902	DKJBVQHLDHKCCA-UHFFFAOYSA-N	415.855	3.518	10	20	HHCD	
C[C@@H](NC[C@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(F)c1O	756457654	JHDZZXVYBSWEHV-DGCLKSJQSA-N	400.263	3.935	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1csc([C@H]2CCCO2)n1	756791348	AWPAEMCCYUOBEW-CRAIPNDOSA-N	421.950	3.748	10	20	HHCD	
CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	757631841	AOOMMYSCNFOSDE-FUHWJXTLSA-N	409.571	3.602	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1	758370763	XXBZRUMNBKGGQI-APWZRJJASA-N	404.555	3.730	10	20	HHCD	
CC(C)CO[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	759584859	QLJMOZWDJZBCOR-VQIMIIECSA-N	411.493	3.713	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)cc1	760091609	DJTKTIIHFQXDPS-SFHVURJKSA-N	419.529	3.594	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCC([C@@H](O)c4nccn4C)CC3)c2C)c1	760870640	VVTJBDVVNKGECG-XMMPIXPASA-N	420.557	3.764	10	20	HHCD	
CC(C)n1cc2c(n1)[C@H](N1C(=O)CN(Cc3cc(Cl)ccc3O)C1=O)CCC2	761300915	STHOOFHBFVEYCR-MRXNPFEDSA-N	402.882	3.665	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccnn3C3CCCC3)cc2F)C[C@H](C)O1	764927361	ZALGEQOEVSIFPK-HOTGVXAUSA-N	400.498	3.681	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H]1CCCN(Cc2ccccc2)C1	765736569	OUDFZLGMSZHZDR-KRWDZBQOSA-N	403.320	3.683	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(N3CCC(C)CC3)cc2)cc1	765870935	BLGWPMMUWUJHIV-SFHVURJKSA-N	401.576	3.682	10	20	HHCD	
CCCOc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	765982133	ZVAUZHYDEUCLEH-SFHVURJKSA-N	402.560	3.561	10	20	HHCD	
CC(C)(C)Nc1ccccc1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	766132828	PCZGVKYWUZZQNG-UHFFFAOYSA-N	414.525	3.601	10	20	HHCD	
Cn1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1	768162041	JSYCESLCRFJKKW-OAQYLSRUSA-N	422.485	3.882	10	20	HHCD	
O=C(CCC(=O)c1ccccc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768913391	ZEYDGPCHYYLZIR-IBGZPJMESA-N	400.906	3.789	10	20	HHCD	
COc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3O)CC2)c2ccccc12	769363482	RDSBPMFBBOVLFY-UHFFFAOYSA-N	418.493	3.723	10	20	HHCD	
O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769474177	SBBOHANYKJVXAF-LJQANCHMSA-N	400.469	3.896	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccoc2Br)cc1	770148125	ZRXXHNKFCUGJEB-INIZCTEOSA-N	407.308	3.930	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)NCc3ccc(N4CCCC4)cc3)c2)CC1	771273091	OXZXTHCGJBHTTC-UHFFFAOYSA-N	407.562	3.750	10	20	HHCD	
COc1ccc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1OC(F)F	773265841	JLCRYTIWJFRIJL-CQSZACIVSA-N	407.461	3.966	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(CCN2CCCCC2)cc1)c1ccc(N(C)C)cc1	773848215	UZCRFBPQZJCZPO-LJQANCHMSA-N	422.573	3.597	10	20	HHCD	
Cc1cc(Br)cc(CN2CCN(Cc3ccc(Cl)nc3)CC2)c1O	775709719	XLCBGKDCPMOTPX-UHFFFAOYSA-N	410.743	3.829	10	20	HHCD	
CCOc1cccc([C@H]2C[C@@H]2NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	775779250	VOYXUURQKGVCAR-PKTZIBPZSA-N	409.530	3.918	10	20	HHCD	
COc1cc(Cl)cc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1O	775983481	NRFZWCPOBFFJJG-AWEZNQCLSA-N	414.811	3.968	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	780058687	HDLFIGAUXLUOJL-UHFFFAOYSA-N	424.831	3.781	10	20	HHCD	
COC(=O)COc1c(C)cc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc1C	780774804	OBMZPORNDJZRQG-UHFFFAOYSA-N	403.475	3.517	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(OC4CCCC4)c3)c2)CC1	781045581	LBFJVNPJOKGQHC-UHFFFAOYSA-N	407.514	3.929	10	20	HHCD	
CC(C)Oc1cc(Br)ccc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783173477	AMPUDTXGDQIQNB-UHFFFAOYSA-N	409.232	3.687	10	20	HHCD	
CCOc1ncccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1	783484427	CAVUBWXZYSWATI-INIZCTEOSA-N	404.470	3.795	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc([S@@](C)=O)c1)c1ccc(N)cc1	783487649	XYNBHQQUMCMMKD-BEIWTESXSA-N	421.522	3.739	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1	784461197	AZPABPBWWUIJBE-UHFFFAOYSA-N	420.849	3.893	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O	789891824	OADUYWJCEKJWKF-UVCVVPOWSA-N	421.280	3.730	10	20	HHCD	
COc1cccc(Cl)c1CNC(=O)NCc1ccc(N2CCSCC2)cc1	790199309	YNEVWHXAJSNNAO-UHFFFAOYSA-N	405.951	3.901	10	20	HHCD	
CN(C)c1ccc(CNC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C(F)(F)F)c1	793031198	FWELUVVXYAQJIS-KRWDZBQOSA-N	405.464	3.910	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H](CC(N)=O)c3ccccc3)c2C)cc1	794283246	UYQVWBVQAQZLEA-QFIPXVFZSA-N	405.498	3.791	10	20	HHCD	
CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1	795346961	ZSHDSZUSDNTCRR-UHFFFAOYSA-N	404.271	3.605	10	20	HHCD	
COc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1	798155827	YGGZIKHOXSSASV-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S	799201126	RIDOYZUXEVAVCB-WQLSENKSSA-N	418.309	3.743	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3cccc(F)c3)cc2Cl)C1	800344284	PUAPSTICFSCXDY-HNNXBMFYSA-N	417.912	3.762	10	20	HHCD	
CSCC(C)(C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	800507143	UHZJQGWQJXKJTN-KRWDZBQOSA-N	409.596	3.824	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC(N4CCc5ccccc54)CC3)ccc21	800703551	TZVFPVFFILWTMT-UHFFFAOYSA-N	404.558	3.806	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1	802473729	ZOILYCJNLKNRTO-JOCHJYFZSA-N	423.557	3.938	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(c2ccc(Cl)cc2)CC1	804461976	ZXJSTAGHNOTPGY-UHFFFAOYSA-N	413.949	3.603	10	20	HHCD	
COc1ccc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c(C)c1OC	806673537	LFPMYTXTANOILK-ZDUSSCGKSA-N	418.877	3.897	10	20	HHCD	
c1cc(CN(CCCN2CCOCC2)Cc2ccc(N3CCCCC3)cc2)ccn1	809728059	IYAQHJLPHBTGHW-UHFFFAOYSA-N	408.590	3.796	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1OC	809751766	JOYXNHGHNRMOMH-MRXNPFEDSA-N	400.523	3.955	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(-c4ccc(Cl)cc4F)n3C)CC2)cc1	809879640	LRQRWILMYKTFPF-UHFFFAOYSA-N	415.900	4.000	10	20	HHCD	
CCn1c(CCOc2ccccc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812041393	VGIDMYXKMFJWMU-UHFFFAOYSA-N	421.545	3.645	10	20	HHCD	
CCc1nocc1CN(C)CC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	815173657	TVPVYZYHZCMHGO-UHFFFAOYSA-N	409.486	3.746	10	20	HHCD	
CCOc1nc(C)ccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	857455920	IZKGHOZYRABCPQ-HNNXBMFYSA-N	405.445	3.789	10	20	HHCD	
CC(C)Oc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	857473346	XFXMWZPSUJSGCR-QGZVFWFLSA-N	403.910	3.622	10	20	HHCD	
O=C(COc1ccc(F)cc1Br)NCc1ccc(N2CCCC2)cc1	915082269	XEMMEJNGUFTOJA-UHFFFAOYSA-N	407.283	3.884	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CNC(=O)C(C)(C)C)c(C)n1-c1ccc(F)c(Cl)c1	917246212	OQIMCFRTPWDLDA-UHFFFAOYSA-N	422.884	3.775	10	20	HHCD	
O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1c(Cl)ccc2nonc12	1327167624	STWXPFJPAUYZPX-UHFFFAOYSA-N	412.789	3.739	10	20	HHCD	
C[C@H](OC(=O)CCc1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	7290810	JMYNKAKWHKPGNX-AWEZNQCLSA-N	417.417	3.558	10	20	HHCD	
Cc1cccc(NC(=O)CN2CCN(Cc3c(O)ccc4ccccc34)CC2)c1C	20638565	WNKDRPWOIMBAGJ-UHFFFAOYSA-N	403.526	3.919	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1	51131965	XYUSDZXAPLPABR-WIOPSUGQSA-N	409.574	3.811	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2c(C)nn(C)c2C)cc1	96999902	UCPVRTZFUZMNSY-UHFFFAOYSA-N	406.530	3.887	10	20	HHCD	
Cc1ccc(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C	108283208	OUNHXVZHQCANIX-QZTJIDSGSA-N	400.494	3.751	10	20	HHCD	
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	108810112	AOTYZQWUZGQZEW-REWPJTCUSA-N	422.573	3.500	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCOc3cccc(Cl)c3)CC2)cc1	110469918	RUMFGKNFZICKBQ-UHFFFAOYSA-N	403.910	3.696	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	252118609	KNCVRNNDKXHYQA-SFHLNBCPSA-N	417.594	3.839	10	20	HHCD	
CCOc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OCC	302923988	BCMUTMBUPMIKBV-UHFFFAOYSA-N	412.530	3.623	10	20	HHCD	
Cc1ccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1	303392038	YHZXHJIXHZDNGV-HXUWFJFHSA-N	409.574	3.943	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	725849012	PRYDUOWFZHAABN-UHFFFAOYSA-N	410.518	3.723	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc21	726250078	RMTXXYMHJRIESA-GOSISDBHSA-N	416.566	3.515	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1	726726208	HIVNDINUTVSUNA-UHFFFAOYSA-N	422.312	3.726	10	20	HHCD	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)cc1OC	726986232	ZPOXEPBJAAUKMX-YBEGLDIGSA-N	402.497	3.903	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(OC2CCCC2)nc1	727030208	LDNZGHROUSXTDC-UHFFFAOYSA-N	424.545	3.933	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)c3nnnn3-c3ccccc3)ccc21	728640270	WSTGJCKOPYQWGO-KRWDZBQOSA-N	419.485	3.798	10	20	HHCD	
CCNC(=O)COc1ccc(NC(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1	731398304	HOVOHINGIOGPKN-UHFFFAOYSA-N	416.497	3.509	10	20	HHCD	
O=C(c1ccc(N2CCCCCC2)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517462	CCZRVWDSNJGYGC-NRFANRHFSA-N	409.530	3.989	10	20	HHCD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	736197060	YUHYKQYGKOWJBO-CTUHWIOQSA-N	416.606	3.989	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)c1O	737284481	NZUJFGPXRGLNJL-UHFFFAOYSA-N	412.486	3.505	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(Sc3ccccc3)c2)c1O	737285455	CMRSVADBUUOQII-UHFFFAOYSA-N	408.479	3.807	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(O[C@@H]2CCOC2)cc1	740461562	XZVTZXRPWVXYDG-OAQYLSRUSA-N	413.543	3.729	10	20	HHCD	
Cn1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cc2cc(C(F)(F)F)ccc21	742574469	SQYXEUQFBJUOMF-UHFFFAOYSA-N	417.431	3.964	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)CCc3ccc4ccccc4c3)CC2)cc1	742920849	VFIXGXIVOXVHFV-UHFFFAOYSA-N	417.553	3.719	10	20	HHCD	
COc1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)ccc1OC(F)F	743518909	XCAHKHRJAMIXOX-UHFFFAOYSA-N	406.429	3.880	10	20	HHCD	
COC(=O)CN(CC(=O)Nc1sc(C)c(C)c1C)Cc1cc(Cl)ccc1O	744402291	MBBWABRJJUFABP-UHFFFAOYSA-N	410.923	3.646	10	20	HHCD	
Cc1ccc(Cn2nc(C)c(/C=C3/SC(N4CCOCC4)=NC3=O)c2Cl)cc1	747148339	VQJQSVGAHQIDBA-GZTJUZNOSA-N	416.934	3.504	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1	747458116	JIPUVPMNCSUIFI-UHFFFAOYSA-N	416.465	3.952	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccnc(Oc2ccccc2)c1	749161804	IQZHVMIBUQKFAU-UHFFFAOYSA-N	403.482	3.983	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1	753637409	VTCUTMRKBDUQJU-LLVKDONJSA-N	419.890	3.641	10	20	HHCD	
Cc1ccc(Cl)c(OC[C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	754136006	HXICHBVYCFEYSE-PXNSSMCTSA-N	404.938	3.576	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1	754224061	YAJGRYKHRGLMFX-CQSZACIVSA-N	401.438	3.631	10	20	HHCD	
C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccs1	754306797	FZYKRHOMJLEOLB-KBPBESRZSA-N	410.490	3.816	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc3nc[nH]c3n2)cc1	755308372	PBLPMCIJQKRYNM-UHFFFAOYSA-N	401.470	3.880	10	20	HHCD	
Cc1nc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1	757258115	IQZJJXSRJHZBNX-UHFFFAOYSA-N	400.548	3.784	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CC2(CCC2)Oc2ccccc21	757645839	HDBFOHYVXXXMNX-NRFANRHFSA-N	407.514	3.769	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1	758054609	LVLSSXHXHULDKR-UHFFFAOYSA-N	415.493	3.910	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cnc(Cl)c(Br)c2C)c1O	760068981	KNUVNRPCXNSHRP-UHFFFAOYSA-N	400.660	3.842	10	20	HHCD	
O=C(NCC[C@@H](NC(=O)c1cc(O)cs1)c1ccccc1)c1cc(O)cs1	760450807	OVEVZQKUUIHJFX-OAHLLOKOSA-N	402.497	3.512	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(S(C)(=O)=O)CC2)c(C)n1-c1ccc(C(C)C)cc1	760933105	JGURUTRFPBUWSW-UHFFFAOYSA-N	416.587	3.909	10	20	HHCD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	764093911	KUHCBADEPQLUBN-ZDUSSCGKSA-N	406.477	3.907	10	20	HHCD	
CCN(Cc1ccc(N2CCC(OC)CC2)cc1)[C@@H]1CCN(c2ccccc2)C1=O	764208362	CIJVHPQIYXRMDA-XMMPIXPASA-N	407.558	3.929	10	20	HHCD	
CCOc1nccc(C)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	764841766	OWKPEKXCYVPJMV-HNNXBMFYSA-N	405.445	3.789	10	20	HHCD	
O=S(=O)(Nc1ccc(N2CCc3sccc3C2)cc1)c1cccc2nonc12	765069371	XPSBPFMVAVDEIK-UHFFFAOYSA-N	412.496	3.648	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	765124581	UFOZJGNGTZYXBH-KRWDZBQOSA-N	415.534	3.515	10	20	HHCD	
CCc1c(C(=O)NCc2cccc(Br)c2O)cnn1-c1ccc(F)cc1	765764087	HOJDUFVMBWGSNE-UHFFFAOYSA-N	418.266	3.972	10	20	HHCD	
Oc1cc2c(cc1CN1CCc3c(Br)ccc(Cl)c3C1)[C@@H](O)CO2	767475420	DMKSVHAVFFFYSX-KRWDZBQOSA-N	410.695	3.792	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1	767741744	RCHPMKXRWZTZTK-FQEVSTJZSA-N	421.557	3.835	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(Br)c(=O)n(C)c2)cc1	772438520	RTEMCOAXJBRNGM-UHFFFAOYSA-N	421.339	3.658	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3nc(CN4CCCCC4)no3)c2C)c1	773488495	OGDLGQHDPUFQOS-UHFFFAOYSA-N	407.518	3.701	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	773756588	KCVUKENYGSJZJJ-OAHLLOKOSA-N	421.453	3.979	10	20	HHCD	
Cc1nc(Br)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	774060703	BINMJLMXYBTRBG-UHFFFAOYSA-N	419.323	3.653	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2cccc(NC(=O)c3ccccc3)c2)c1O	774965133	XPDXJSYMRXRPPK-UHFFFAOYSA-N	407.426	3.851	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)c1	775373128	MWMDEICQEDYNOK-OAHLLOKOSA-N	408.502	3.801	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccc(O)c1O)c1ccccc1	776281585	IDGOLRLDIDTXQQ-NRFANRHFSA-N	407.422	3.952	10	20	HHCD	
COc1ccc(O)c(CN[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1	777441168	ZEHJPTXMRJWZKD-SFHVURJKSA-N	408.420	3.700	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1csc(-c2ccccc2)n1	777827310	ZEWXWBTZXOJPIO-UHFFFAOYSA-N	416.886	3.985	10	20	HHCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1	778631637	WYNDSRJDTGJJQT-WEYGHZABSA-N	403.567	3.867	10	20	HHCD	
CCc1cncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	789960457	CZBGIAQNTPGBHA-HXUWFJFHSA-N	412.534	3.706	10	20	HHCD	
O=C(c1nc(Br)ccc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1	792273073	ORHNWTVDXIAKSP-ZDUSSCGKSA-N	409.255	3.510	10	20	HHCD	
Cc1nc2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc2n1C	793293152	ISZFRHJYAGPFQG-NRFANRHFSA-N	406.530	3.769	10	20	HHCD	
CN(C)S(=O)(=O)c1ccccc1NNC(=S)Nc1ccc(Cl)cc1Cl	793325483	FRLAJUIBPOBHNV-UHFFFAOYSA-N	419.359	3.557	10	20	HHCD	
COc1ccc([C@H](CN(C)C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	793574585	USQMEHBAXPJRRP-JTSKRJEESA-N	401.526	3.624	10	20	HHCD	
COC(=O)c1ccc(CNCc2ccc3c(c2)CCCN3C)c(Br)c1	793583311	ADSMAABVHWIODS-UHFFFAOYSA-N	403.320	3.908	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	793724411	AFGRKIJIXQXLOO-PKOBYXMFSA-N	418.534	3.545	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@@H]2C)c(O)c1	794382754	GTTVWBLMFXCZQZ-ZLGUVYLKSA-N	422.525	3.801	10	20	HHCD	
O=C1/C(=C/c2ccnn2-c2ccc(F)cc2)SC(=S)N1CCc1cccnc1	794863459	VYWKQCGJGHJYKN-PDGQHHTCSA-N	410.499	3.850	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	795055594	MXOLRXCSZFDALQ-UHFFFAOYSA-N	403.530	3.693	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(OC(F)F)cc1	797734718	SYTJUAMDMNUHII-UHFFFAOYSA-N	400.765	3.766	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=S)NCC3CCN(C)CC3)cc2Cl)C1	799898873	XMJWUCUPTHXORB-MRXNPFEDSA-N	409.043	3.882	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1	802609798	KUFNGXKWDVROGJ-GOSISDBHSA-N	420.513	3.965	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(F)cc1F	807266255	VEJOTXMPNMCLJZ-NRFANRHFSA-N	415.484	3.789	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@@H](c1ccccc1)N(C)C	807403330	YVBZGYSEGYBMEE-GUYCJALGSA-N	406.324	3.645	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C	808968249	OCMJADDYICQZCD-HXUWFJFHSA-N	400.494	3.653	10	20	HHCD	
CSCc1cccnc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	810450118	ZQKWAQTYMJGVEM-HNNXBMFYSA-N	407.486	3.945	10	20	HHCD	
Cc1cc(-c2nnc(Nc3ccn(C)n3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1	812399728	ADJRGRJFIKMGMK-GOSISDBHSA-N	417.517	3.866	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1	812975080	YZPHHABAWJJWEF-UHFFFAOYSA-N	423.517	3.689	10	20	HHCD	
O=C1NCCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1Cc1ccccc1	816641591	YIDWDBLXPBPAKW-HSZRJFAPSA-N	422.529	3.518	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(OC2CCCC2)nc1	916396422	PYGSJEMPZGCMOP-UHFFFAOYSA-N	424.545	3.581	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1	918207456	YLNXADHEEGQUNP-JOCHJYFZSA-N	408.546	3.696	10	20	HHCD	
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	919785630	FSZKULBPQNOMOE-PTUXOGIPSA-N	423.557	3.918	10	20	HHCD	
Cc1cccc(NC(=O)CN2CCN(Cc3ccc(N4CCCC4)cc3)CC2)c1C	1336911030	HVOAVGRCYNZZGD-UHFFFAOYSA-N	406.574	3.660	10	20	HHCD	
COc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1OCc1ccccc1	26763537	KAFLETJUSVQUQY-ZHZULCJRSA-N	410.495	3.577	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	109899379	NMMHBTULLFYNAI-UHFFFAOYSA-N	408.590	3.945	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1	195563007	PEOOOCCULPPTCV-UHFFFAOYSA-N	410.440	3.868	10	20	HHCD	
CCN(CC)c1ccc(CNc2ncnc3ccc(S(C)(=O)=O)cc23)cc1F	302882809	JBYHJGCJKJPWJR-UHFFFAOYSA-N	402.495	3.631	10	20	HHCD	
Cc1c(CNC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)n(C)c2ccccc12	471219152	GQAXESIZZOTFHO-UHFFFAOYSA-N	415.497	3.642	10	20	HHCD	
COc1ccc([C@H](CNC(=O)NCc2c(C)c3ccccc3n2C)N(C)C)cc1OC	471496526	PURQJSDQNPXJOE-NRFANRHFSA-N	424.545	3.606	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	725858382	PIEHNCVNNWEIFG-AEFFLSMTSA-N	404.555	3.587	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccccc3O)c2C)cc1	725939742	GVWPBDSTJPKCRO-UHFFFAOYSA-N	421.449	3.555	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(Br)cc3F)CC2)cc1	726560770	MHESIUPANXPIDU-UHFFFAOYSA-N	407.283	3.996	10	20	HHCD	
O=C(NCCOc1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726609161	MJFZDQCNAFIGHV-UHFFFAOYSA-N	405.445	3.635	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H](O)COc1ccccc1	731036938	UJYZFNXMHYPHEW-FQEVSTJZSA-N	412.530	3.904	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCNc3ccccc3)cc2F)C[C@H](C)O1	731543548	NPIJFZIAZUCXMJ-ROUUACIJSA-N	414.525	3.741	10	20	HHCD	
O=C(CCc1nnc(-c2ccsc2)o1)N(Cc1ccccc1O)C[C@@H]1CCCO1	731858755	NCGOHDJPDUARLA-KRWDZBQOSA-N	413.499	3.644	10	20	HHCD	
COC(=O)[C@H](CNC(=O)c1cc(C)n(-c2ccccc2C)c1C)Cc1ccc(O)cc1	733150504	NQJBAHCWROREIB-FQEVSTJZSA-N	420.509	3.870	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(CNC(=O)c2cccs2)cc1	734406340	VJMNOQOBPLECKU-UHFFFAOYSA-N	407.539	3.983	10	20	HHCD	
CC(C)(C)C(=O)NCc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	743338893	LXZYEIJASOQGEZ-NRFANRHFSA-N	424.541	3.876	10	20	HHCD	
Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1NS(C)(=O)=O	743429583	TXNDWHQCROGQGR-UHFFFAOYSA-N	414.483	3.508	10	20	HHCD	
CO[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	743564517	MXAMJDGZMLQYGC-HRAATJIYSA-N	417.937	3.925	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)c1	743702643	FSKNSOLHKRGSEN-QWHCGFSZSA-N	412.446	3.581	10	20	HHCD	
COc1cccc(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1O	745356788	BYLFGOJXVCZVNJ-UHFFFAOYSA-N	403.910	3.518	10	20	HHCD	
COc1cccc(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1O	745810336	ZKKYRXUMFOGKIO-UHFFFAOYSA-N	417.937	3.766	10	20	HHCD	
Cc1ccc(C[C@@H]2CCCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)cc1	747860574	FYZYJHSAIQSFRT-QHCPKHFHSA-N	407.558	3.996	10	20	HHCD	
CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C12CCCCC2	748625022	KGWSOXLIZAWVRT-FGZHOGPDSA-N	415.578	3.793	10	20	HHCD	
CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1	751301728	DZWAVOKBUAKHOO-UHFFFAOYSA-N	424.457	3.581	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cc(Br)c(=O)n(C)c1	755596227	KTDJVLXDQHXNAB-UHFFFAOYSA-N	406.305	3.869	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ncc(C2CCCCC2)s1	756075151	CVILOWGTYQPEHQ-UHFFFAOYSA-N	400.548	3.854	10	20	HHCD	
C[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cc(F)ccc1O	756606779	BKOCQKOHZXMIFK-AWEZNQCLSA-N	412.552	3.661	10	20	HHCD	
Cc1cccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)[nH]2)c1	756937163	UVXPBYHKYWKCOC-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
COc1cccc([C@H](CNC(=O)NCCCSc2nccs2)N2CCCC2)c1	759537842	JKQYDUCMCDXJET-SFHVURJKSA-N	420.604	3.770	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)c(Br)c1	759594086	FUXXTXIJTZBEIE-FZKGZDJFSA-N	420.259	3.752	10	20	HHCD	
CCCn1nc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C	759719044	RKUHDEMOMFXJIR-UHFFFAOYSA-N	424.467	3.695	10	20	HHCD	
Cc1cc(C(=O)N2CCC(N(C)CCCO)CC2)c(C)n1-c1cccc(Cl)c1	759722536	JSHMMSXKPJIZNO-UHFFFAOYSA-N	403.954	3.666	10	20	HHCD	
CC(C)Oc1ccc(N(C)Cc2cc(=O)n3cc(Br)ccc3n2)cc1	759916523	WASMLYUVKHLXBB-UHFFFAOYSA-N	402.292	3.881	10	20	HHCD	
CC(C)(C)Sc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)nc1	762388793	FUJNBOGSVNWIFH-UHFFFAOYSA-N	420.516	3.766	10	20	HHCD	
Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(Br)c1	763278508	CCJCHYPJUOTGHJ-STQMWFEESA-N	408.292	3.683	10	20	HHCD	
CSc1ccc(-c2csc(NS(=O)(=O)c3cn(C)c(Cl)n3)n2)cc1	764529170	ZDRRFQWJMPWUKM-UHFFFAOYSA-N	400.938	3.720	10	20	HHCD	
Cc1onc(-c2ccncc2)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	764923922	GJIQJPUNHRUCMH-GJZGRUSLSA-N	424.476	3.728	10	20	HHCD	
C[C@@H](NCc1cccc(N2CCOC2=O)c1)c1ccc(N2CCOCC2)cc1Cl	765266931	LWQOZNSYDKZTBP-MRXNPFEDSA-N	415.921	3.984	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C)ccc2Br)c1	765687134	QUVYOQNGKQNQBK-NSHDSACASA-N	400.294	3.511	10	20	HHCD	
COc1cc(Br)cc(CN(C)CC(=O)Nc2c(C)cccc2C)c1O	768168583	KBXHYYNDXHYRLR-UHFFFAOYSA-N	407.308	3.851	10	20	HHCD	
C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1O	768279495	ZIYMSOPPLLVUCH-GXTWGEPZSA-N	423.391	3.771	10	20	HHCD	
COc1cc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1C	768916468	RCBMHYJAFSEMOO-LJQANCHMSA-N	402.922	3.686	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)cc1)C1CCCCC1	769085209	YSBYLFFABJLELC-HXUWFJFHSA-N	415.578	3.983	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c[nH]nc1-c1ccncc1	769289943	GPRBTBQMEFYLTK-UHFFFAOYSA-N	401.264	3.602	10	20	HHCD	
CCN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)Cc1cc(Br)ccc1O	769727317	FCNNUQSLFOMLCN-UHFFFAOYSA-N	405.252	3.961	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Cc3ccnc(O)c3Br)cc2)CC1	772225388	HTWCYKBTXGBJPH-UHFFFAOYSA-N	418.335	3.645	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cc(F)cc(C(F)(F)F)c2)SC1=S	772801550	VQADWDDXOPWFOL-KPKJPENVSA-N	407.410	3.999	10	20	HHCD	
CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	773303117	SDJRIIPOWWXKKZ-IBGZPJMESA-N	405.516	3.549	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1	774925791	WHDFWVAOLGUXSB-AWEZNQCLSA-N	407.436	3.607	10	20	HHCD	
COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(N(C)C)cc3)o2)cc1	775402770	CKKSQXSQCHTPMF-CQSZACIVSA-N	412.515	3.781	10	20	HHCD	
C[C@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	775402795	CNZMUEQIZCVBBG-IFXJQAMLSA-N	417.962	3.799	10	20	HHCD	
COc1cccc(CN(Cc2ccc(N3CCN(C)CC3)cc2)C2CCC(O)CC2)c1	775674623	GPJWTIIRTCAKRW-UHFFFAOYSA-N	423.601	3.753	10	20	HHCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(F)c1	776832032	ADCAFDGYTNVZPW-ZIAGYGMSSA-N	402.441	3.711	10	20	HHCD	
COc1ccc(Cn2cc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cn2)cc1OC	777793492	JPRQKRCTEKFHHD-MRXNPFEDSA-N	408.502	3.506	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CCN(C(=O)N(C)C)CC1	777823616	VQDBWNDYTUBJPH-SFHVURJKSA-N	409.530	3.876	10	20	HHCD	
COc1cc(-c2noc(CCCCCNCc3cc(F)ccc3O)n2)ccc1O	779077138	FSNRTLPRBJSPFQ-UHFFFAOYSA-N	401.438	3.798	10	20	HHCD	
CCOC(=O)[C@@H](NCc1cc(OC)ccc1O)c1ccc(OC)c(Br)c1	779177706	GPCVDXMSGPBVEA-SFHVURJKSA-N	424.291	3.566	10	20	HHCD	
COc1cc(OC)c(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)c(OC)c1	779492257	IABGBLPQCYZREU-FNORWQNLSA-N	413.470	3.543	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Oc2ccncc2)c1	784026124	CPJZMWKLRLBADC-UHFFFAOYSA-N	405.454	3.957	10	20	HHCD	
COC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	787066914	WSVZXXREVQOJGG-HRAATJIYSA-N	417.937	3.925	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1Oc1ccncc1	787454058	FNYBBIALAYLXPW-UHFFFAOYSA-N	418.497	3.845	10	20	HHCD	
CC(C)(C)C(=O)NC1CCC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1	790001229	GTVBLKFWMSKRSU-LYBXBRPPSA-N	416.562	3.621	10	20	HHCD	
COc1c(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(Cl)cc1C(N)=O	793573184	DFPWYTVCZZBKEV-GFCCVEGCSA-N	407.873	3.596	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(C2CC2)cnc1Cl	793581821	FONIJIDTCXOFIO-UHFFFAOYSA-N	403.885	3.643	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3ccn(C)n3)c2C)c1	795789442	HYAFNEBLMUZGHK-UHFFFAOYSA-N	411.527	3.908	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(I)ccc2C)c(O)c1	797646653	FQQKNXOWUSODLC-UHFFFAOYSA-N	412.227	3.636	10	20	HHCD	
C[C@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1	799726947	SXTLEVDRNNYGQA-INIZCTEOSA-N	423.529	3.584	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1Cl	805134988	MQJUXIVFAANRMD-UHFFFAOYSA-N	424.689	3.618	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H](CN1CCCC1=O)c1ccccc1	805181913	QSSJULHRYFWEEI-KRWDZBQOSA-N	422.312	3.862	10	20	HHCD	
CCCN(C)[C@H](CNC(=O)NCc1ccc(OC)cc1O)c1ccc(Cl)cc1	805753386	QCDHXJXEBIXWKN-LJQANCHMSA-N	405.926	3.937	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1[C@H]2CC[C@H]1Cc1ccccc1C2	806013901	GOXXXTOUKPTTQM-GOTSBHOMSA-N	419.569	3.858	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC=C(c2ccccc2)C1	806458018	UOEKACUQHJPGOJ-UHFFFAOYSA-N	409.505	3.786	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2)c1ccc(N)cc1	808937741	LCBUDGLYIJSGFP-OAHLLOKOSA-N	415.449	3.672	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCC3(c4cccc(OC)c4)CC3)CC2)cc1	811919807	BBCFKHWWQARYOG-UHFFFAOYSA-N	409.530	3.657	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1cccc(CO)c1	813505978	ORTHPDZNVPIPRQ-UHFFFAOYSA-N	415.537	3.796	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1	814307250	ZLTQFJFSFWJADR-UHFFFAOYSA-N	406.574	3.950	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1C	871796076	HEHJJGGRKIXASD-UHFFFAOYSA-N	410.923	3.623	10	20	HHCD	
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1CCOCC1	915755913	JRWSBPJAWBZDOA-OAQYLSRUSA-N	423.517	3.514	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccccc3-n3cccn3)cc2F)C[C@H](C)O1	916681988	OYIQZXVKLIKISC-IRXDYDNUSA-N	423.492	3.947	10	20	HHCD	
CC(C)(C)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	918294893	MFAYBAJSFZRPFE-FQEVSTJZSA-N	410.514	3.836	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1	918443383	AQADBCYWLYIWBZ-UHFFFAOYSA-N	408.429	3.707	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)C(=O)NCc3ccccc3)c2C)cc1	919862758	PLNOIDGLKOPCEV-QGZVFWFLSA-N	405.498	3.537	10	20	HHCD	
O=C(CSCc1cccc(Cl)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970570	MJDIJVXPQHXGCH-UHFFFAOYSA-N	422.953	3.990	10	20	HHCD	
C[C@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1	920880446	JEAOXNCVVJCNPY-MBSDFSHPSA-N	410.514	3.572	10	20	HHCD	
COc1ccc(C(=O)[C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1	1330143325	WLQVPMGFXIKLFK-AWEZNQCLSA-N	414.413	3.899	10	20	HHCD	
CN1CCN(c2ccc(CNCc3c(F)cccc3N3CCCC3)cc2F)CC1	1347179419	NPRFTIZUBKJDRX-UHFFFAOYSA-N	400.517	3.607	10	20	HHCD	
Cc1csc([C@@](O)(CC(=O)NCc2ccc(N3CCCC3)cc2)C(F)(F)F)n1	109027692	QUKVGUHHAUPLKX-SFHVURJKSA-N	413.465	3.508	10	20	HHCD	
O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	63878407	DNBWDWAUQHCEDR-UHFFFAOYSA-N	410.480	3.744	10	20	HHCD	
C[C@H](Nc1nn2cc(-c3cccnc3)nc2s1)c1ccc(N2CCOCC2)cc1	302062475	BXFBMLISOCSUPN-HNNXBMFYSA-N	406.515	3.863	10	20	HHCD	
CCOC(=O)C(C)(C)c1csc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)n1	806819389	BTVRZZSYZGUBGH-NSHDSACASA-N	407.492	3.581	10	20	HHCD	
CCOC(=O)Oc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	800327152	RLMZOXHSERCFDK-UHFFFAOYSA-N	400.500	3.705	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1Cc1cccc(C)c1	802610371	WOOURFFSHMVTLH-UHFFFAOYSA-N	420.513	3.713	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(-c2ccc(Br)cc2)c1	808093697	UPHFNSCEGGXWPK-UHFFFAOYSA-N	421.291	3.756	10	20	HHCD	
CC[C@H](C)N[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1ccco1	807443864	VUJXYYSJFRGSLI-WFASDCNBSA-N	410.312	3.676	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCCCC[C@@H]1c1ccccc1	807288194	RNWIKBNZUIFLQI-HSZRJFAPSA-N	403.526	3.823	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(Br)cc1	807511870	YZONLTAGDBCEAO-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C	570000485	PVIDKSYADXDDQC-UHFFFAOYSA-N	417.431	3.747	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1	728984716	SFOGGQPULSCNSK-ZBFHGGJFSA-N	416.905	3.784	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3Cl)cc2F)C[C@@H](C)O1	816891162	KESYVIUUMXUBKO-CHWSQXEVSA-N	421.856	3.931	10	20	HHCD	
O=S(=O)(CC1CCCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726601726	SDKPZIRXIRAFQQ-UHFFFAOYSA-N	402.507	3.757	10	20	HHCD	
CN1CCN([C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2ccccc2)CC1	727752901	FODLHLWWPJUXKD-RUZDIDTESA-N	420.601	3.624	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)c(C)n1-c1ccccn1	725722569	NPCGIASDRDTPDP-UHFFFAOYSA-N	408.546	3.744	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)cc2)CC1	731016579	NBPWTJNBBOQWPW-IBGZPJMESA-N	409.505	3.731	10	20	HHCD	
Cc1cccc(O[C@@H](C)C(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)c1	736583996	NTLCUJJLAIIEMI-IBGZPJMESA-N	404.510	3.966	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)o1	730932669	OGBUHTFMHJCQBJ-UHFFFAOYSA-N	420.424	3.844	10	20	HHCD	
CC(C)c1cc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)on1	734012887	JBLIMNZPJWUURY-UHFFFAOYSA-N	408.449	3.868	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1	735375215	GGFOCMHWHHGSOC-UHFFFAOYSA-N	418.497	3.866	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21	914505494	ITPRPCSONXTDIH-GOSISDBHSA-N	409.530	3.694	10	20	HHCD	
CC(C)Cn1nc(C(=O)NCc2c(O)ccc3c2CCCC3)c2ccccc2c1=O	743716229	LMCCPYVJIYFIAC-UHFFFAOYSA-N	405.498	3.567	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C2CC2)cc1	918031421	ADSOTUZIFPSBRL-UHFFFAOYSA-N	420.513	3.598	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3cccc4c3CCCC4)CC2)cc1	748058897	KVSQXWWNUBQSGE-UHFFFAOYSA-N	400.544	3.521	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(C(=O)C(C)(C)C)cc3)CC2)cc1	749277890	FUACLYKQAFJSJY-UHFFFAOYSA-N	409.530	3.685	10	20	HHCD	
Cc1cc(CCNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccccc1	747310319	KDSJIWMXPMWFDN-GOSISDBHSA-N	408.468	3.572	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCc3c(Br)cccc3C2)cc1F	749415817	LPJAVMRWRMYPKW-UHFFFAOYSA-N	406.299	3.922	10	20	HHCD	
CN1C(=O)N[C@]2(CCC[C@H]2CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1=O	748098834	OXFBBLULJACHEB-FYSMJZIKSA-N	415.578	3.797	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)c(C)n1-c1cccc(Br)c1	749181134	KNDHPQNPIFKHFH-AEFFLSMTSA-N	418.335	3.631	10	20	HHCD	
Cc1cc(C(=O)NCc2cccnc2N2CCOCC2)c(C)n1-c1ccc(Cl)cc1	918047262	RYCNAFBMPJJHEW-UHFFFAOYSA-N	424.932	3.909	10	20	HHCD	
Cn1cc(-c2csc(NS(=O)(=O)c3ccc(SC(F)(F)F)cc3)n2)cn1	743050436	SBYUEQGEKXBZAI-UHFFFAOYSA-N	420.463	3.956	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccccc1OCCn1ccnc1	741067458	MPFVMXUPBUBZQO-UHFFFAOYSA-N	403.486	3.660	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc2ccsc12	752392479	RGSJHLFGNKRPDI-UHFFFAOYSA-N	411.552	3.709	10	20	HHCD	
C[C@@H](N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(Br)ccc1O	756674724	ASVSPUDRSCVCID-PWSUYJOCSA-N	411.246	3.889	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1	751400224	MNBUWNWNPOOLBM-GOSISDBHSA-N	401.438	3.621	10	20	HHCD	
COc1ccc(OC)c([C@H](O)CN[C@@H](C)c2cc(Br)c(F)cc2O)c1	756383931	LOFHEMFTWHWGHJ-DYZYQPBXSA-N	414.271	3.695	10	20	HHCD	
C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)ccc1O	756356129	YZHNTCJNPLSLML-QAPCUYQASA-N	405.336	3.706	10	20	HHCD	
C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(Br)cc1O	756431556	NMGIWOHWDVNZCT-OAHLLOKOSA-N	405.336	3.838	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@H](C)c3cccc(F)c3)CC2)cc(OC)c1OC	759243429	XIUOFLVMCNBVLY-INIZCTEOSA-N	416.493	3.694	10	20	HHCD	
O=C(O)[C@@H](Cc1ccc2c(c1)OCCCO2)NCc1ccc(N2CCCCC2)cc1	756386069	GMCPSMICRXEGES-OAQYLSRUSA-N	410.514	3.624	10	20	HHCD	
COc1cccc(CN[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)c1O	766086692	FOPGZKAKBZUYHF-QGZVFWFLSA-N	419.319	3.757	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C3CCC(C(F)(F)F)CC3)cc2F)CC1	766612217	UGWUEJRRXRXWNN-UHFFFAOYSA-N	415.475	3.953	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1	768848375	NOCMADJAQWIGRK-UHFFFAOYSA-N	423.538	3.547	10	20	HHCD	
Cc1ccc2nc(COc3ccccc3C(=O)NCCc3ccc(O)c(O)c3)cn2c1	762268694	QZLLMNVWVKZKLR-UHFFFAOYSA-N	417.465	3.605	10	20	HHCD	
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	765321027	KMCDWIWBWDPJPB-GPMSIDNRSA-N	409.477	3.514	10	20	HHCD	
CC(C)(C)OC(=O)C1CCC(NCc2ccc(N3CCC(CO)CC3)cc2)CC1	768589069	RXADWLQWOBCTQD-UHFFFAOYSA-N	402.579	3.885	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3csc(-c4ncccc4F)n3)CC2)cc1	768333580	GIGAWRZITCNUSV-UHFFFAOYSA-N	412.490	3.705	10	20	HHCD	
O=C1OCCN1c1cccc2c1CCN(Cc1cc(Br)ccc1O)C2	769501814	DBYOBFPCCNDGET-UHFFFAOYSA-N	403.276	3.670	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1	773751219	NTDGVYNAMWUQGQ-GFCCVEGCSA-N	405.376	3.663	10	20	HHCD	
CC(C)(C)c1cc(CN[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(O)c(C(C)(C)C)c1	776497255	DCWLXHHCDAMFAB-JPYJTQIMSA-N	423.619	3.813	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(Br)c1	773856805	LMQCTHTYOKNLAX-AWEZNQCLSA-N	418.335	3.948	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)[C@@H]3CCN(C)C3=O)n2)c(C)n1-c1ccc(F)cc1	776106393	MNFDGOVIEFIFNI-INIZCTEOSA-N	412.490	3.774	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H](OC)c3ccc(F)cc3)CC2)cc1	770830007	KGCAARNGCVLDDK-ZHRRBRCNSA-N	415.509	3.879	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c(C)n1-c1cccc(C(C)C)c1	779168620	LIXFUZXMEAQYQQ-UHFFFAOYSA-N	418.497	3.668	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc3c(cc2F)NC(=O)CC3)cc1	776894625	WICBISQBJBGBRF-UHFFFAOYSA-N	423.410	3.981	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnn4cccnc34)c2C)c1	883993298	UYFMIVPAIOKTIB-UHFFFAOYSA-N	420.494	3.898	10	20	HHCD	
CCSCc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1	771419584	XXWJFRIXMAEHON-HNNXBMFYSA-N	409.939	3.681	10	20	HHCD	
COc1ccc(C[C@@H](C)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC	781351248	MANHODZFLIPRHS-XLIONFOSSA-N	413.514	3.796	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(OCC2CC2)c1	788512555	YHEVKFBBIJARJB-UHFFFAOYSA-N	424.541	3.623	10	20	HHCD	
CN(C)c1ccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c(C(F)(F)F)c1	798956266	PAKQYFBKPOEPQM-UHFFFAOYSA-N	411.390	3.662	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC3CC(c4ccccc4)C3)cc2)C1	798404761	ULTPVIXAYZLUEE-IRQNMHNUSA-N	405.542	3.588	10	20	HHCD	
C[C@@H](NCc1ccncc1OCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	798939634	RFTKFBDFNBBMHW-CQSZACIVSA-N	413.415	3.849	10	20	HHCD	
CCOc1cccc([C@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	793830908	QEMYUWACLVDBIS-KRWDZBQOSA-N	422.481	3.790	10	20	HHCD	
CC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)C1	791850156	JCPWDMQWYUBFFX-OAQYLSRUSA-N	422.525	3.567	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)c(Br)c(F)c1	797639672	CVTQFQNNOYLNII-MRVPVSSYSA-N	401.207	3.891	10	20	HHCD	
COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1	790068695	RPPBFIKICBWHIT-UHFFFAOYSA-N	410.662	3.940	10	20	HHCD	
C[C@@H]1CC[C@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H](n2cncn2)C1	1322179605	YKWKEYZVWWDJPJ-YKCBXCCJSA-N	405.493	3.868	10	20	HHCD	
CCOC(=O)[C@H](NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)C1CCOCC1	1320252482	OYGCKUPLSZGODD-HXUWFJFHSA-N	418.921	3.836	10	20	HHCD	
Cc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C	15360915	BTXFYRZKBNHWOA-UHFFFAOYSA-N	402.560	3.578	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	108604611	RFRQCXVWWOAQOK-UHFFFAOYSA-N	408.454	3.907	10	20	HHCD	
COCCNc1nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c(=S)s1	28786493	QLLHEMPEDQYDLF-UHFFFAOYSA-N	407.609	3.812	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl	301265905	GPBLLJVYULVXKH-UHFFFAOYSA-N	413.865	3.781	10	20	HHCD	
CCOc1ccccc1-c1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)o1	302689165	QDCJWXBGDYYRRQ-UHFFFAOYSA-N	412.515	3.610	10	20	HHCD	
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1F	1345174039	SJNRVEODGRXLOV-MRXNPFEDSA-N	413.493	3.719	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1CCCNCc1ccc(N2CCOCC2)c(F)c1	237896915	VELFUYRTWXYGBH-UHFFFAOYSA-N	408.521	3.879	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)c(C)n1-c1ccc(Cl)cc1	800623334	MRVRRTFQIOEFGF-SFHVURJKSA-N	408.951	3.787	10	20	HHCD	
Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1cccc(Br)c1O)N(C)C	807406926	FHIHWAXIJQYJHI-KBXCAEBGSA-N	420.351	3.954	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccco2)Cc2cccs2)n(C)c2ccccc12	568405923	AHKSFWHXPNENOZ-UHFFFAOYSA-N	421.522	3.986	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NCc3cnc(C4OCCO4)s3)C2)cc1	809624189	JMIKICVQHLQLPN-CYBMUJFWSA-N	411.474	3.549	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1	802610344	VDXXQRQMVRMSCN-UHFFFAOYSA-N	417.937	3.875	10	20	HHCD	
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(N2CCCCC2)cc1	809423494	IMQKCMNTJUXMRL-UHFFFAOYSA-N	416.591	3.605	10	20	HHCD	
COc1ccc(-n2nnc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c2C)cc1	807833540	BCAHRLPXSXDGNI-UHFFFAOYSA-N	407.257	3.527	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C(=O)N(C)C)cc3OC)ccc21	487985978	GIGBDMJJJXLNPR-UHFFFAOYSA-N	423.513	3.867	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(COCc2ccccc2)n1C[C@H]1CCCCO1	812443112	IXGZJJIGGVGUDO-OAQYLSRUSA-N	422.529	3.906	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	810351812	VHMRWUOAXMOBBU-UHFFFAOYSA-N	424.501	3.745	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(O)c1	813797127	HYINJRPCZMHMRF-MRXNPFEDSA-N	419.522	3.522	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1cccc(COC)c1	819518916	KNWVPORIOKEOJM-UHFFFAOYSA-N	412.530	3.764	10	20	HHCD	
O=C(OCc1nnsc1Cl)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	728883076	PMYXMYPMSMDFGE-UHFFFAOYSA-N	419.245	3.977	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCCOC3CCCCCC3)cc2F)CC1	735686177	UCIYXHKSWWYVAY-UHFFFAOYSA-N	420.573	3.506	10	20	HHCD	
CN(CCOc1cccc(CNCc2c(O)cccc2Cl)c1)C1CCOCC1	733326994	KAFXDHDFPZUIHJ-UHFFFAOYSA-N	404.938	3.825	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc4nc(C)oc4c3)cc2F)CC1	730133244	NHMCYFIJHMULAU-UHFFFAOYSA-N	411.481	3.739	10	20	HHCD	
Cc1ccc(CN2C[C@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2=O)cc1	731015834	IRIQXEIQNSONCF-HSZRJFAPSA-N	419.569	3.896	10	20	HHCD	
CCS[C@H]1CCCCN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)C1	738220257	NFMQLHBHWDLSIL-NRFANRHFSA-N	406.592	3.535	10	20	HHCD	
CC(C)n1ccnc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	917206285	PBKUMAGMJAJGEB-HOTGVXAUSA-N	420.554	3.625	10	20	HHCD	
CNC(=O)c1cccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	919655855	YSXQRXSMYOXHHV-UHFFFAOYSA-N	420.513	3.617	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCc2c(O)cccc21	745865972	XDFOZFDMHACYMZ-AUUYWEPGSA-N	417.456	3.949	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(F)F)cc3)SC2=S)cc1	743282606	OLMWCJQAHVCCIE-DHDCSXOGSA-N	420.462	3.835	10	20	HHCD	
CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	749629606	UVCDLYJLZTXLGS-UHFFFAOYSA-N	407.514	3.771	10	20	HHCD	
O=C(NCCc1ccn(-c2ccc(F)cc2)n1)NCc1ccc(N2CCCC2)cc1	743552715	RTUGVKAIZARDAQ-UHFFFAOYSA-N	407.493	3.654	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC3CCN(CCc4ccccc4)CC3)ccc21	746721676	ICOCMVCUAJZQKA-UHFFFAOYSA-N	406.574	3.575	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1ccc(N2CC=CC2)cc1	741077130	ZEJBHYHLXMDIKU-UHFFFAOYSA-N	415.541	3.924	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1	742683279	MWRIQOWIAKOANK-UHFFFAOYSA-N	400.429	3.983	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cn2)cc1	918246455	OSPAMFYQOJLAOL-UHFFFAOYSA-N	404.470	3.503	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799544	LECLIOOPWDMGQM-ZBFHGGJFSA-N	408.420	3.980	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Oc1ccc(Cl)cc1	743552931	AFLHKDZYOSUJSQ-OAHLLOKOSA-N	421.900	3.582	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743098679	PNTXLWUSIBSGNS-INIZCTEOSA-N	419.428	3.865	10	20	HHCD	
CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)N1CCCCCC1	920920773	KICRUTVUFKDLNL-NZQKXSOJSA-N	416.610	3.784	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C	759217281	JQXQBAQELKOOPB-INIZCTEOSA-N	403.523	3.658	10	20	HHCD	
C[C@@H](c1ccco1)N(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1	754911644	UWIWNRCTSXNCEC-HNNXBMFYSA-N	401.482	3.815	10	20	HHCD	
C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)ccc1O	756356127	YZHNTCJNPLSLML-CRAIPNDOSA-N	405.336	3.706	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc(Cl)cn1	753381738	OFMVXJZNBJEELY-UHFFFAOYSA-N	414.815	3.912	10	20	HHCD	
O=C(CSc1ccc2c(c1)OCCO2)Nc1c(-c2ccccn2)nc2ccccn12	751301388	ADRLIVMDZWMOHR-UHFFFAOYSA-N	418.478	3.898	10	20	HHCD	
C[C@H](NC[C@H](O)COc1cccc(F)c1)c1cc(Br)cc(F)c1O	756459540	OYIFMGCFVQRBQA-GWCFXTLKSA-N	402.235	3.523	10	20	HHCD	
CC(C)OC1CCC(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	752646930	BYJHKPZIGOHPLG-NXMBOHNASA-N	421.557	3.975	10	20	HHCD	
O=C(O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NCc1ccc2c(c1)CCO2	756379379	BBYZPKSJDNOVTI-QGZVFWFLSA-N	415.287	3.651	10	20	HHCD	
CCc1nc(CN2CCC(CN[C@H](C)c3cc(C(=O)OC)ccc3O)CC2)cs1	756568752	IDGOUHOGHWWESP-OAHLLOKOSA-N	417.575	3.761	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3c3sccc3C)CC2)cc(OC)c1OC	759219399	AQKWBUBUMHRYTN-IRXDYDNUSA-N	416.543	3.535	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c(SC)cc1OC	764417136	MBOQQRPGHUXKRF-CHHVJCJISA-N	408.526	3.815	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1cccc(Br)c1O	765754878	XQXCMUCIKIJTBT-SFHVURJKSA-N	415.287	3.735	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)NCc1c(O)ccc2c1CCCC2	764402687	XSCUFPQOQJHSHJ-IBGZPJMESA-N	414.546	3.924	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](CCO)C3CCCCC3)cc2F)C[C@@H](C)O1	766880402	ZXRYRMHACOYBJS-LLGFUMIMSA-N	421.557	3.570	10	20	HHCD	
CCC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	768914992	HNIYOAZYDOPXOC-IBGZPJMESA-N	415.921	3.789	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769422455	JMPZLEWEKRSXAO-HKUYNNGSSA-N	421.557	3.788	10	20	HHCD	
CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)cc(OC)c1O	761203859	YYVUWDVYPDOWMR-UHFFFAOYSA-N	416.827	3.821	10	20	HHCD	
CO[C@](C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1F	760454580	LHVYIBBBFADPQB-VGSWGCGISA-N	420.912	3.827	10	20	HHCD	
CC1(c2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCC3)cc2)OCCO1	767794367	RYPVPPGQIGIIHU-UHFFFAOYSA-N	417.527	3.745	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3cccnn3)CC2)c(C)n1-c1ccc(Cl)cc1	760630581	BKYZFHNKHOKPFW-UHFFFAOYSA-N	409.921	3.936	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2c(O)n1	768912540	NKADYRXWHVOZGK-QGZVFWFLSA-N	411.889	3.694	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1coc(C2CCOCC2)n1	767974757	XZJCHLHLBFEWCQ-HNNXBMFYSA-N	421.444	3.569	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	762268553	KECMIZFFXIUFCC-SFHVURJKSA-N	414.502	3.803	10	20	HHCD	
CC(C)N1CCN(c2cccc(NS(=O)(=O)c3ccc(F)cc3Cl)c2)CC1	768018478	XOPJOJRGAOXEMN-UHFFFAOYSA-N	411.930	3.810	10	20	HHCD	
CCCN(CCN(CC)CC)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	764686580	XDKLYRNLPCZJNG-OALUTQOASA-N	422.589	3.703	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c(C)n1-c1nccs1	764419385	YUAUBFRQMCMZTM-RIYZIHGNSA-N	402.526	3.940	10	20	HHCD	
CCC(CC)n1nccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	770266569	VTBRYADBPFVBNN-IYBDPMFKSA-N	402.514	3.927	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1	770008824	YSBOVUIYTPOQDG-UHFFFAOYSA-N	422.844	3.670	10	20	HHCD	
COCC[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccco1	779979461	AQOGJDJJPVWJOW-JTDSTZFVSA-N	419.497	3.609	10	20	HHCD	
CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1Cl	773082823	AYAYNTUGJMSLEB-NSHDSACASA-N	413.902	3.543	10	20	HHCD	
Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)C2=O)cc1	773014541	IMAKYDDGKICSPE-HTAPYJJXSA-N	413.949	3.941	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCCCNC(=O)c2cccc(O)c2)c1O	779016492	FZWXARKVFDTQGQ-CYBMUJFWSA-N	407.308	3.639	10	20	HHCD	
C[C@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(N2CCOCC2)cc1Cl	776853105	DRTMBRPGWAMAHP-HNNXBMFYSA-N	403.910	3.604	10	20	HHCD	
COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	778456228	MLRUOCXGIVMCCY-IEBWSBKVSA-N	404.894	3.540	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)OCCCO2	771069265	XWTJYOHZQILXFD-GOSISDBHSA-N	416.905	3.601	10	20	HHCD	
COc1cc(Br)cc(CN2CCc3c(ncn3-c3ccccc3)C2)c1O	779143556	KXWSYGQCOSGPTO-UHFFFAOYSA-N	414.303	3.907	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCc2c(O)cccc21	789817497	XSSSWEGXOFWKNM-FXAWDEMLSA-N	414.933	3.952	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1C	789727922	PGTWLNVOTMOJMC-UHFFFAOYSA-N	406.533	3.645	10	20	HHCD	
CCCNC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	1120742675	VWXSLSJXNOWQOH-ZDUSSCGKSA-N	406.324	3.501	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C(C)C)[C@@H](O)c3ccccc3)CC2)cc1	788958502	YSWUCKLGOWQPAT-PKTZIBPZSA-N	411.546	3.721	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(-n3cccn3)c2)cc1	784107360	SFDVBTWSDLWLNE-UHFFFAOYSA-N	403.486	3.616	10	20	HHCD	
COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1Cl	789487672	VUXLHBASERQFFT-UHFFFAOYSA-N	415.921	3.840	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2ccccc2OC)cc1	788976725	BFLKDSFVUUXPAM-NRFANRHFSA-N	409.530	3.521	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)nc1C(F)(F)F	789958405	FFKROPGNZZRJKJ-UHFFFAOYSA-N	417.790	3.660	10	20	HHCD	
CCOC(=O)c1csc([C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2C)n1	790373560	CQPQEIGVIBDWHN-SFHVURJKSA-N	416.547	3.741	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SCCCC(=O)C(=O)OC	795198146	XPIORTJVYMTKJN-UHFFFAOYSA-N	411.321	3.947	10	20	HHCD	
C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cc1cc2c(cc1O)OC[C@H]2O	793600721	UVNMBFFPPGCLRL-LIUKBUMOSA-N	409.404	3.799	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc(C)c1Cl	799833360	QFILKIOZPWRIPY-INIZCTEOSA-N	415.921	3.609	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)NC(=O)OC(C)(C)C	792257335	KIYVGRGVSQLEQI-OAHLLOKOSA-N	403.479	3.610	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1	791250987	VPJUVPJQHJYKBY-QHCPKHFHSA-N	423.513	3.568	10	20	HHCD	
COC(=O)CCN(Cc1cccc(Br)c1)Cc1c(O)cccc1OC	792188650	XLJCSVKGYUCNKO-UHFFFAOYSA-N	408.292	3.729	10	20	HHCD	
CO[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)cc1	1319160130	NWDWZXHTOSUAGE-FPOVZHCZSA-N	402.466	3.610	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCC(=O)N1CCN(c2ccccc2)CC1	1320133563	PZWLBPKEXQJCRR-CTNGQTDRSA-N	407.558	3.968	10	20	HHCD	
C[C@H](CCNC(=O)NCc1ccc2c(c1)CCCN2C)N(C)C(=O)OC(C)(C)C	1322749441	ZNSKHKWQUZWAGM-MRXNPFEDSA-N	404.555	3.514	10	20	HHCD	
C/C=C(\C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2	1783072650	OEQWLNILEJLTDW-YKNMIAOYSA-N	421.541	3.504	10	20	HHCD	
Cc1cc(C(=O)CSc2nnc(C3CC3)[nH]2)c(C)n1-c1ccc2c(c1)OCCO2	11275464	KWXCIRUKPVEDCC-UHFFFAOYSA-N	410.499	3.836	10	20	HHCD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O	13186992	GMTWSXHZNQLSPD-YBEGLDIGSA-N	419.503	3.694	10	20	HHCD	
Cc1c(CNC(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n(C)c2ccccc12	472272073	DQAWCRMZCWBRTQ-OYRHEFFESA-N	402.542	3.760	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)cc2)n(C)c2ccccc12	472797558	WECUEZIVCCLCSM-UHFFFAOYSA-N	419.403	3.683	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc21	728637461	LWDWFNWPQANXQC-IYBDPMFKSA-N	400.519	3.566	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(C(=O)N(C)C)ccc2OC)cc1F	731402948	QMOXJKFRMLTNJT-UHFFFAOYSA-N	416.497	3.704	10	20	HHCD	
O=C(CCOc1cccc(Br)c1)NCCCSc1nccs1	733972216	NTXGJRCOJCORNZ-UHFFFAOYSA-N	401.351	3.973	10	20	HHCD	
O=C([C@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	735518713	JYJGXHVTVTUACJ-XZOQPEGZSA-N	408.542	3.812	10	20	HHCD	
CCc1cccc(CC)c1S(=O)(=O)NC1CCN(c2ccc(OC)cc2)CC1	736331217	BDXWXDQAILZRRR-UHFFFAOYSA-N	402.560	3.767	10	20	HHCD	
CCN(CC)c1ccc(CNC[C@@H](c2cccs2)N2CCN(C)CC2)cc1F	740003381	XRALVVMLKLWJJL-NRFANRHFSA-N	404.599	3.812	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ncccn2)c(C)n1-c1ccc(Br)cc1	741035586	GXJCFPCOUCDZGR-UHFFFAOYSA-N	414.259	3.686	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(CN(C)C(=O)C(C)C)cc3)CC2)cc1	741554929	WHESADKJDOUODC-UHFFFAOYSA-N	423.557	3.708	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNCCS(=O)(=O)NC(C)(C)C)cc1	742699838	BAPVCEYSUZWSMA-UHFFFAOYSA-N	403.592	3.521	10	20	HHCD	
COCc1cccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743547312	FIHAHJVNUYWUMS-SFHVURJKSA-N	419.472	3.903	10	20	HHCD	
CC(C)N(CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccc(N(C)C)cc1	743841660	QIWNDMNJSVPJJU-QHCPKHFHSA-N	413.537	3.702	10	20	HHCD	
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	744358509	QSHCVBCTMPDVNJ-QHCPKHFHSA-N	405.542	3.743	10	20	HHCD	
CCCOC(=O)[C@H](C)OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	744475536	ZQKRGMAIHKGVGT-NSHDSACASA-N	400.814	3.614	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)ccc1Br	747859142	WLSDHXWQSDBQBK-UHFFFAOYSA-N	415.290	3.975	10	20	HHCD	
CN(Cc1ccccc1O)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1	751234907	BQYVIQOSLWSZCN-UHFFFAOYSA-N	424.238	3.994	10	20	HHCD	
C[C@@H](Sc1ccccn1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754236938	AKBILIAMCORADS-CABCVRRESA-N	407.486	3.949	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@H](C)c3oc4ccccc4c3C)CC2)cc1	754628842	HBJHQMHRZUQALR-TZIWHRDSSA-N	423.557	3.584	10	20	HHCD	
C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Br)cc(Cl)c1O	756804720	YPUALFHLWUULAJ-NSHDSACASA-N	424.726	3.917	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1	758370775	XXBZRUMNBKGGQI-QFBILLFUSA-N	404.555	3.730	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)ccc1[N+](=O)[O-]	759161136	SFCYQFLIINCOHI-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H](c2ccsc2)O1	759728754	ZSAKMZCGUHUWKQ-JXFKEZNVSA-N	417.600	3.973	10	20	HHCD	
C[C@H](NC[C@H](CO)Cc1ccc(Br)cc1)c1cc(F)cc(F)c1O	760034343	MTVNODOXRPGOLW-WCQYABFASA-N	400.263	3.935	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cnccc2-c2ccccc2)C2CC2)cc1	760214225	WXESSXNMDLSFBC-UHFFFAOYSA-N	414.509	3.944	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(-c2ccccc2)c1Br	760290185	UIICAXJJRNHMOL-UHFFFAOYSA-N	413.319	3.939	10	20	HHCD	
O=C(NCCc1ccc(Cl)nc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	760813818	JUJOXGKQHBXBDH-OAHLLOKOSA-N	424.879	3.847	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O	761814632	BUUQYVCKSQPWIQ-HXUWFJFHSA-N	412.509	3.619	10	20	HHCD	
C[C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1Cc1ccccc1	765288185	VWCSDOFVCAHESL-SIKLNZKXSA-N	411.565	3.930	10	20	HHCD	
COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1	767717017	WMMNEYSYAOGZGY-UHFFFAOYSA-N	411.530	3.701	10	20	HHCD	
CCOc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC	768912927	STTQZEHNPKZCMS-SFHVURJKSA-N	418.921	3.847	10	20	HHCD	
COc1ccc(N2CCCN(Cc3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1	769165119	YWPQLCYTZQISOI-UHFFFAOYSA-N	423.542	3.511	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2c2ncnc3sc(C)cc23)c1	771012508	MBHWOHAWBAADTA-CXAGYDPISA-N	412.515	3.560	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1	772687054	PWALBAITKKFBEH-IBGZPJMESA-N	420.517	3.798	10	20	HHCD	
COc1ccc(N2CCC(N[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)cc1	773129391	FUDJDWDWWYLMQO-INIZCTEOSA-N	417.912	3.852	10	20	HHCD	
C[C@@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	775402794	CNZMUEQIZCVBBG-AUUYWEPGSA-N	417.962	3.799	10	20	HHCD	
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)O1	775499673	JUXAPLXGFSWBSJ-WIYYLYMNSA-N	423.517	3.534	10	20	HHCD	
O=C(c1ccc(Br)cc1)N1CCN(Cc2cccc(Cl)c2O)CC1	775665467	CEMHZCVDGDXZAU-UHFFFAOYSA-N	409.711	3.766	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1	779494094	ROLIKBSJUOTMFV-VQHVLOKHSA-N	421.522	3.579	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ncnc4ccc([N+](=O)[O-])cc34)cc2F)C[C@H](C)O1	782143944	WNTMKSLJDLHXGX-KBPBESRZSA-N	411.437	3.903	10	20	HHCD	
C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1ccc(N(C)C)c(F)c1	783509947	VILDIAOEZPYPGL-HNNXBMFYSA-N	412.509	3.747	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC[C@H]1c1ncc[nH]1	783674575	XELIRHGDDBYPFA-LBPRGKRZSA-N	401.102	3.977	10	20	HHCD	
CCOc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1OC	784108173	FOSNWQMYCHZLRN-UHFFFAOYSA-N	411.502	3.838	10	20	HHCD	
CCN(CC)CCNC(=O)c1ccc(NCc2cccc(Br)c2O)cc1	789877035	BNZPCXYEMKVAST-UHFFFAOYSA-N	420.351	3.838	10	20	HHCD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1c(O)ccc(Cl)c1F	792156699	LJNGCXCDGMYPSE-INIZCTEOSA-N	423.868	3.864	10	20	HHCD	
Cc1noc([C@H]2CCCN2CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1	796694698	LRQNBIUSFWPFMI-LJQANCHMSA-N	422.485	3.577	10	20	HHCD	
Cc1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)c(C)n1-c1cccc(Cl)c1	799742314	OAVYANHQCMSONZ-UHFFFAOYSA-N	402.970	3.503	10	20	HHCD	
CCO[C@@H]1COCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799972707	OULVHBXKIPYFHC-QKYXUNIQSA-N	409.958	3.570	10	20	HHCD	
O=C(Nc1ccccc1)N1CC[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	800901566	IRMLFGUAMYFMFR-FQEVSTJZSA-N	423.517	3.981	10	20	HHCD	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290405	IESVBFQKWYXJSM-HSZRJFAPSA-N	423.532	3.544	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](c2nc(C)cs2)C2CC2)cc1	807626574	CBBIYGFBNDCPAR-LJQANCHMSA-N	414.575	3.524	10	20	HHCD	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807837169	DUPOWUCLFQWNFF-LBPRGKRZSA-N	401.290	3.572	10	20	HHCD	
COc1cc(Br)cc(CN(C)Cc2nc(-c3cccs3)no2)c1O	809687662	NAGMBVNFBQYPSC-UHFFFAOYSA-N	410.293	3.907	10	20	HHCD	
COC[C@]1(CN[C@@H](C)c2ccc(Br)cc2O)OCCc2ccccc21	810241743	DIQYAJKNVVRAOW-XOBRGWDASA-N	406.320	3.920	10	20	HHCD	
CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812027523	YMKOQDSCEIHALW-UHFFFAOYSA-N	409.509	3.753	10	20	HHCD	
CCc1nc2ccc(Cl)cn2c1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	812494186	IXLXFQRJZUCOPK-UHFFFAOYSA-N	412.921	3.958	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cccc(N3CCOC3=O)c2)cc1	919657879	XMZSRTIPDXZDCT-UHFFFAOYSA-N	410.518	3.831	10	20	HHCD	
O=C(/C=C/c1ccoc1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1786749595	XNXZXKWWPNYPOW-FARCUNLSSA-N	419.437	3.547	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)C24CC(F)(C2)C4)C3)cc1	1845398087	XPZXKEFEPSTBBU-UHFFFAOYSA-N	421.516	3.803	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)c2C)c1	5924904	UJKIZZUDLSZBQU-KRWDZBQOSA-N	419.481	3.685	10	20	HHCD	
O=C1[C@H](N(Cc2cccs2)c2ccc3c(c2)OCCO3)CCN1CC(F)(F)F	112598938	TYSRIBNOZGDOTK-OAHLLOKOSA-N	412.433	3.689	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cn3ccnc3)cc2)cc1	116581868	VTIWOGUTXPMGAQ-DEOSSOPVSA-N	418.541	3.819	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3ccc(OC(C)C)c(C)c3)CC2)cc1	195700636	VYJOHQNCUVRZSC-UHFFFAOYSA-N	418.559	3.692	10	20	HHCD	
CCN(C(=O)Cc1occc1C(=O)N(CC)c1ncccc1C)c1ncccc1C	466509119	VSXQXFZDUQSWHP-UHFFFAOYSA-N	406.486	3.949	10	20	HHCD	
Cc1c(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)n(C)c2ccccc12	471234509	JFVIJRQPSNFYIZ-HXUWFJFHSA-N	415.493	3.737	10	20	HHCD	
CC1=S=C(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C=C1CS(C)(=O)=O	471691319	APLXANDXABXBRZ-UHFFFAOYSA-N	421.490	3.653	10	20	HHCD	
COCCCOC1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1	525095116	ABSNFRIVAVCZCK-UHFFFAOYSA-N	402.535	3.562	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc(C)cs1	729595863	CWZUXADRJHMSRX-KRWDZBQOSA-N	406.527	3.502	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1	730591085	HZIYOCSHSRJKFA-SNVBAGLBSA-N	407.348	3.961	10	20	HHCD	
C[C@H]1CCCCN1C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	731106782	GOJTVUOLYPPXQQ-KRWDZBQOSA-N	401.551	3.865	10	20	HHCD	
CCN(C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H](C)CS(=O)(=O)CC	733120543	GNZBVZJGEFNGGD-MRXNPFEDSA-N	424.994	3.962	10	20	HHCD	
Cc1cccc(C(=O)NCCCSc2nccs2)c1I	733880148	AECUNWPQPXKCDQ-UHFFFAOYSA-N	418.325	3.968	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CCCN(c4ccccc4)C3)CC2)cc1	734666345	CHANXTBMPSUZLU-HSZRJFAPSA-N	422.573	3.974	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	738300611	YWFRCBBXVDUOFV-SFHVURJKSA-N	415.965	3.828	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(N2CCC(C)CC2)c1	740609450	LXRUNXDZHPCDHG-UHFFFAOYSA-N	405.476	3.641	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(F)c(F)c(F)c1	743045938	GUJCNIDZWROLFP-UHFFFAOYSA-N	412.414	3.963	10	20	HHCD	
COc1cccc(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743539110	YSZXNLWSUJCOSK-QGZVFWFLSA-N	419.472	3.807	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)n1	743706378	ZSTIJYYTPSAOFP-OAHLLOKOSA-N	421.501	3.688	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccnc(Oc2ccccc2)c1	749171049	AFOJFNFOHZLESI-UHFFFAOYSA-N	407.445	3.780	10	20	HHCD	
O=C(/C=C/c1ccc2ccccc2n1)NCc1ccc(N2CCC(O)CC2)c(F)c1	749406305	OEVPYILXTAHQNA-CSKARUKUSA-N	405.473	3.665	10	20	HHCD	
Oc1cc(OCc2ccccc2)ccc1CN1CCC[C@H](c2nnc3n2CCC3)C1	753544127	UEPNCSWWROYDRS-FQEVSTJZSA-N	404.514	3.889	10	20	HHCD	
COCCCN1CCC(N[C@H](C)c2cc(Br)cc(Cl)c2O)CC1	756529217	POSVTGDBNIXBQA-GFCCVEGCSA-N	405.764	3.960	10	20	HHCD	
C[C@@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)c(F)cc1O	756604183	MENISXIUQNWBEN-JLTOFOAXSA-N	423.326	3.581	10	20	HHCD	
CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2	756654423	TWFLZPPLDNWHBE-UHFFFAOYSA-N	403.438	3.743	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1Cl	757856877	OSAGMTXCVAFIEV-SFHVURJKSA-N	416.905	3.920	10	20	HHCD	
CCCOc1cccnc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	758096326	NJDGYHRDUMGVDY-UHFFFAOYSA-N	423.435	3.656	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1nccn1CCc1ccccc1	759583766	JBPRRHQGDWXSEQ-UHFFFAOYSA-N	401.561	3.564	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCOc1ccc(Cl)cn1	761778005	DMNBTXHDEVNHMH-UHFFFAOYSA-N	402.926	3.946	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCC3CC(OC(C)(C)C)C3)CC2)cc1F	763481777	VBKHTNNIBXQERO-UHFFFAOYSA-N	407.530	3.650	10	20	HHCD	
O=C(NCCc1cccc2cccnc12)NCc1cccc(Br)c1O	764766208	YOTPKEXBYVIBDO-UHFFFAOYSA-N	400.276	3.745	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1	765454417	WLPALFNCLAPSTM-UHFFFAOYSA-N	421.463	3.965	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@H](C)c2ccc(N(C)C)cc2)s1	765729372	PPTMQOKQTLWWMC-MRXNPFEDSA-N	409.621	3.738	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)cc2nccnc12	771058820	OCWOJKRPTSZDNJ-MRXNPFEDSA-N	414.868	3.522	10	20	HHCD	
C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	774483866	PXGYIDAQGCTWAO-DINPMHMFSA-N	412.578	3.586	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1F	775052151	SXIVYNPTTDJVII-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
COc1ccc(NCc2cc(OC)c(OC)cc2O)c(I)c1	775150899	WSXUBMHXBICYGD-UHFFFAOYSA-N	415.227	3.635	10	20	HHCD	
C[C@H]1CN(c2cccc3cnccc23)CCN1Cc1ccc(N2CCOCC2)c(F)c1	775206031	UBZGBVABYLNXFT-IBGZPJMESA-N	420.532	3.921	10	20	HHCD	
CSc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	775254123	HDACTRURIPWZKG-GOSISDBHSA-N	413.587	3.554	10	20	HHCD	
CC[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cc(Br)ccc1O	775488696	RIAOJKBYJCEBFQ-GOSISDBHSA-N	419.367	3.542	10	20	HHCD	
COC(=O)N1CCC([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	777256911	RAEQNMSQCCYNHB-KRWDZBQOSA-N	404.555	3.540	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cn2c(n1)CCCC2	779791182	GPPBNFVUODGHFF-UHFFFAOYSA-N	400.529	3.632	10	20	HHCD	
C[C@@H]1CN(C2CCOCC2)CCN1Cc1c(O)ccc2cc(Br)ccc12	782913049	IWTPSIIBRWZQMC-OAHLLOKOSA-N	419.363	3.993	10	20	HHCD	
O=C(CCCCOc1ccc(Br)cc1)OCC(=O)c1ccc(O)c(O)c1	783578599	CJGASAKLDQLGDI-UHFFFAOYSA-N	423.259	3.836	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2nc(C(C)C)cs2)c(C)n1-c1ccccc1	789359222	XIJHGUBFZSOLDM-UHFFFAOYSA-N	410.543	3.971	10	20	HHCD	
CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3ccc(O)cc3CC)cc2c1C	790415229	BPHVYLNCOWGOOI-UHFFFAOYSA-N	420.512	3.850	10	20	HHCD	
Cc1cccc(NC(=O)CN2CCN(Cc3c(O)ccc(Cl)c3F)CC2)c1C	792157558	YODVXOGAQWWNIB-UHFFFAOYSA-N	405.901	3.558	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)c(O)c1	793031098	BMJURFSONFPXEB-KPZWWZAWSA-N	423.307	3.739	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(NC(=O)N(C)C)cc1	793495244	OKWTVQNXTKUTMA-UHFFFAOYSA-N	411.550	3.966	10	20	HHCD	
Cc1nc(O)c(Br)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	795054981	DDUOARILZODVDR-UHFFFAOYSA-N	404.308	3.729	10	20	HHCD	
CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1	802008377	ZUXFZUOQSNBTJD-UHFFFAOYSA-N	413.472	3.502	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1	802609586	FCSROFNKOCUPMN-UHFFFAOYSA-N	418.877	3.600	10	20	HHCD	
CCCC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1	804593530	NMJMIPGUABUMQV-QFIPXVFZSA-N	411.546	3.767	10	20	HHCD	
COCC(C)(C)CCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	804970504	XNGJBJCFYWDBTL-IRXDYDNUSA-N	409.546	3.691	10	20	HHCD	
CCOc1ccc(CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C(C)C)cc1	807100890	NYOUYTQVWBBVHI-UHFFFAOYSA-N	411.546	3.513	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1	810411727	UCXGBAOHHITNNV-LEWJYISDSA-N	415.578	3.960	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCCCC4=O)c2)CC1	810427251	CXSLEQIFOVZWTI-UHFFFAOYSA-N	405.498	3.550	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NCc1cc(Cl)cc([N+](=O)[O-])c1O	813787131	WRQBHGIHGYDYSO-OAHLLOKOSA-N	411.886	3.833	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2cc(F)cc(F)c2F)c(C)n1-c1ccccc1	815332932	OMQZIKVSALZEAU-UHFFFAOYSA-N	415.415	3.809	10	20	HHCD	
COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1OC	914904811	DLKAPSASBKOVCC-MRXNPFEDSA-N	423.469	3.690	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(Br)c1	916667223	FCBNUQRFAJKLHD-UHFFFAOYSA-N	422.298	3.871	10	20	HHCD	
CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1	917032195	USPGNDPZKXJROE-UHFFFAOYSA-N	407.489	3.568	10	20	HHCD	
O=C(CCOc1ccc(F)c(Cl)c1)NCc1ccc(N2CCOCC2)c(F)c1	917708564	JQQKRKQMBYZWJU-UHFFFAOYSA-N	410.848	3.540	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@]2(F)CCOC2)c(C)n1-c1ccc(OC(F)F)cc1	1322898459	KTPRYUOVYMCOKF-HXUWFJFHSA-N	411.376	3.550	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNCC3CCC(c4ccccc4)CC3)cc2)CC1	1328697459	VZERGGJJHZSYQP-UHFFFAOYSA-N	412.599	3.985	10	20	HHCD	
CC1(C(=O)N2CCCC3(CCN(C(=O)c4cc(O)c(O)c(Cl)c4)CC3)C2)CCC1	1804798351	NNPUBSSJTDPDCT-UHFFFAOYSA-N	420.937	3.786	10	20	HHCD	
CCN(CCCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1	110464664	CGFLRELXRHBEGU-UHFFFAOYSA-N	410.562	3.880	10	20	HHCD	
COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OCc1cn2ccccc2n1	237329763	IOGUTULLVCXQHH-UHFFFAOYSA-N	402.454	3.685	10	20	HHCD	
CCN(C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[C@@H](C)CS(=O)(=O)CC	303641930	SDYRFEMHUNVHQI-SFHVURJKSA-N	423.623	3.810	10	20	HHCD	
COCCn1ccc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1	725754348	AYBSZQHFMPXNDV-UHFFFAOYSA-N	417.307	3.952	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1	725856691	UVJLOAFIMWIYMG-HOTGVXAUSA-N	418.563	3.902	10	20	HHCD	
Cc1nnnn1-c1cc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1F	727938384	DFKCFFOSPHZLKC-UHFFFAOYSA-N	423.496	3.764	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1	728978657	SBFZGJAAHCXHPD-INIZCTEOSA-N	412.486	3.627	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)o1	730932349	ITBZQMXKSPGAKP-UHFFFAOYSA-N	418.496	3.869	10	20	HHCD	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	732202082	HAKRDDGWERFSCB-QFBILLFUSA-N	418.484	3.871	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)c1	734015697	XOUNMLMBSVRQLS-UHFFFAOYSA-N	408.792	3.503	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3ccc(OC)cc3OC(F)F)SC2=S)cn1	734178937	SXVDCIKLVCHPMC-NSIKDUERSA-N	411.455	3.919	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnc(-c3ccccc3)[nH]2)cc1	736073796	NPZIBXLKBZJNSM-NRFANRHFSA-N	404.514	3.964	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1	741271514	VBMHCZDNSJKDCA-GBXCKJPGSA-N	424.589	3.622	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C2CC2)cc1	741901045	PURXKZQFANGSIG-UHFFFAOYSA-N	419.481	3.984	10	20	HHCD	
CCO[C@@H](C)c1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	742557047	PEPKCRMBTONQRH-ZNMIVQPWSA-N	421.538	3.923	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)Cc2cccs2)NC(=O)OC(C)(C)C)cc1	742750498	CNMLPACEHFATQY-SFHVURJKSA-N	403.548	3.739	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1	744363454	BUYIQKXJFBUDLY-UHFFFAOYSA-N	424.423	3.688	10	20	HHCD	
CCOC[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745906078	VSZZYFSJWLUJNI-DLBZAZTESA-N	411.493	3.715	10	20	HHCD	
CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1c(O)ccc2cc(Br)ccc12	746654360	YABSYMKZYXYKKU-PBEJRMEISA-N	419.363	3.991	10	20	HHCD	
Cn1cc(-c2csc(NS(=O)(=O)c3ccc(C(=O)C(C)(C)C)cc3)n2)cn1	749156923	APZXFCJECSLVBX-UHFFFAOYSA-N	404.517	3.573	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)O[C@H]3CCN(C4CCOCC4)C3=O)c2C)c1	750412248	ODJZQMFISKQMEG-QFIPXVFZSA-N	410.514	3.648	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	751307026	UJKJSHPQPDHOEL-JPYJTQIMSA-N	407.558	3.711	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)c(OC)c1	752124611	LJRCGVWVNQWEGJ-UHFFFAOYSA-N	408.502	3.890	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1	753190818	KNKSTGPTIJXJPI-QGZVFWFLSA-N	402.560	3.698	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2cn(-c3ccccc3Br)nn2)c1	756686848	KRVMCTDBSRGHGN-GFCCVEGCSA-N	403.280	3.595	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1	758814974	OZMLEGOLOHTPHQ-OAHLLOKOSA-N	423.435	3.904	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1ccc(N2CCSCC2)cc1	759564675	OAISKMGYKPAYSK-UHFFFAOYSA-N	408.618	3.678	10	20	HHCD	
Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	764442360	PDOPYXJUMYCHRY-UHFFFAOYSA-N	420.561	3.922	10	20	HHCD	
Cc1ccc(OCCCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1	764924616	KPWYXLVCRBSOFB-UHFFFAOYSA-N	400.494	3.755	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](O)c2ccccc2Cl)cc1	764938025	XOABCAHBBGZEGX-GHTZIAJQSA-N	402.922	3.647	10	20	HHCD	
CC(C)Cn1ncc(C(=O)NCc2cccc(Br)c2O)c1C(F)F	765730520	WAYXEHZTFVXOTC-UHFFFAOYSA-N	402.239	3.875	10	20	HHCD	
C[C@H](N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	766137557	LBHPIFGKXCGCBH-KXBFYZLASA-N	407.530	3.616	10	20	HHCD	
COc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc1Cl	766481639	IBGWVYJGTBZBJZ-UHFFFAOYSA-N	411.836	3.744	10	20	HHCD	
COc1cccc(CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1O	769498463	JAFPODMMMIHFLS-UHFFFAOYSA-N	418.902	3.949	10	20	HHCD	
C[C@H](NC(=O)N1Cc2ccccc2C(F)(F)C1)c1ccc(N2CCOCC2)cc1	771212874	MGEAJQHFUYCMLF-INIZCTEOSA-N	401.457	3.901	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc3c(c2)CCCO3)n1	771594601	GYTFQKNAWIJOOU-UHFFFAOYSA-N	402.497	3.945	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnn(-c4cc(C)ccc4C)c3C)CC2)cc1F	772104320	CEUINPCVEQIITG-UHFFFAOYSA-N	422.504	3.908	10	20	HHCD	
COc1ccc(/C=C\C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1O	772724679	OTDHEQMYLNWHAC-OQFOIZHKSA-N	418.440	3.801	10	20	HHCD	
COC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1	773505941	NUKJVGQKWQIGDP-FQEVSTJZSA-N	421.513	3.705	10	20	HHCD	
Oc1cc2c(cc1CN1CCO[C@@H](c3ccc(F)c(Br)c3)C1)OCO2	774600469	BZAFHODSCABBND-GOSISDBHSA-N	410.239	3.596	10	20	HHCD	
CCOc1ccc([C@H]2CCCN2C(=O)CN2CCOc3cc(N(C)C)ccc32)cc1	774753777	NXTDAWZRNDVMII-OAQYLSRUSA-N	409.530	3.714	10	20	HHCD	
Cc1cccc(F)c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1	775139442	BGNJXNBCLYTETH-UHFFFAOYSA-N	406.460	3.830	10	20	HHCD	
COc1ccc(Br)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1	775292285	XMCKPPDQHVYOSK-UHFFFAOYSA-N	400.294	3.889	10	20	HHCD	
COCc1nc(OC)c2c(C)c(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)sc2n1	775412574	ZDVYMQOFMILIDG-ZDUSSCGKSA-N	414.531	3.712	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc(N(C)C)cc1	775479079	CILLGACHKMCTMB-ZDUSSCGKSA-N	408.424	3.927	10	20	HHCD	
CC[C@H](NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccccc1O	775523548	KRUKSMRJKWVBPX-FQEVSTJZSA-N	406.523	3.815	10	20	HHCD	
C[C@H](NC(=O)NCCC1CCN(CC(F)(F)F)CC1)c1ccc(N(C)C)cc1	776160359	YHPJBGQVIOVVEY-HNNXBMFYSA-N	400.489	3.777	10	20	HHCD	
C[C@@H](NC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1	776245708	NDVOBNBOBHOKOC-HZPDHXFCSA-N	423.479	3.983	10	20	HHCD	
CC[C@@H](C)Oc1cc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccn1	777737550	MKGLLSCHSLOFTE-QGZVFWFLSA-N	412.534	3.736	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccc(Cn3cncn3)cc2)c1O	779001707	DNZKMSNSTJUCAJ-CQSZACIVSA-N	401.308	3.954	10	20	HHCD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)/C=C\c1ccc(O)c(O)c1	779474988	HJGIRXPYPWTZMR-CLFYSBASSA-N	409.269	3.905	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1O	782052048	DFHWVPUZXPGGCO-UHFFFAOYSA-N	401.894	3.906	10	20	HHCD	
CCc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nnn1Cc1ccc(F)cc1	782312280	IFUWWIWSMAQYMP-UHFFFAOYSA-N	421.520	3.899	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c2cc(Br)ccc2n1	783354326	DJKKEFWYTYXIFL-UHFFFAOYSA-N	416.227	3.757	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCn2ccnn2)c(C)n1-c1cccc(C(F)(F)F)c1	787629272	STALUNMKXWSIOB-UHFFFAOYSA-N	420.391	3.521	10	20	HHCD	
CCOC1CC(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	788798029	LXRNMMVZKCMQJG-WUJZJPHMSA-N	411.493	3.761	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1	789509242	XZRQFUQUEPQRGU-MPGHIAIKSA-N	412.559	3.676	10	20	HHCD	
CCO[C@@H]1C[C@@](O)(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1(C)C	789621109	MIDWGDHNRRYWQX-AUSIDOKSSA-N	424.501	3.723	10	20	HHCD	
Cn1cc(C(=O)CCC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1	796156966	LDUBDFYBYKREES-UHFFFAOYSA-N	419.441	3.980	10	20	HHCD	
CC[C@H](NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccc(F)cc1O	796674618	INKAVLJOBCMJHU-PMACEKPBSA-N	418.509	3.663	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	799236875	ZNTGYFOWBDYIJQ-QGZVFWFLSA-N	415.446	3.912	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H](CO)CC(F)(F)F)cc2Cl)C1	799993788	FXLBWEXJACVJBH-JSGCOSHPSA-N	407.864	3.689	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1csc(-c2ccccn2)n1	802610129	REIZWUNLWPHGLH-UHFFFAOYSA-N	410.499	3.678	10	20	HHCD	
CCCC[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(OC)cc1	803688133	VQYMWQUSQVWDCW-QFIPXVFZSA-N	423.557	3.742	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3c(C(C)=O)oc4cc(C)ccc34)CC2)cc1F	805188747	IFBKPBOGIRTZSB-UHFFFAOYSA-N	424.472	3.983	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CSc2ccccc21	806154693	IXTGKAUHSHXROY-HXUWFJFHSA-N	409.555	3.599	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c1	806810373	LIHOINAPUDSKJD-QGZVFWFLSA-N	406.280	3.509	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@H](c1ccccc1)N(C)C	807404249	JUEQQHXGXCCZRL-AVCGJXAMSA-N	411.546	3.774	10	20	HHCD	
COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(OCc3ccccc3)cc2O)C1	809695347	IBGWXJNOWDATED-FQEVSTJZSA-N	409.404	3.899	10	20	HHCD	
COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1	811702935	HYEDRQMOHBPEEC-UHFFFAOYSA-N	413.879	3.558	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1OCCc2sccc21	813583758	AYOOSIXDAQGKJH-QRWLVFNGSA-N	417.600	3.803	10	20	HHCD	
Cc1ccc(CNC(=N)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	849070047	AOJOFCLOQBRWKK-UHFFFAOYSA-N	406.452	3.665	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)NCCCSc2ccccc2)c(C)n1-c1ccccn1	914906021	JKTZACVEROAHQR-UHFFFAOYSA-N	423.538	3.945	10	20	HHCD	
Cc1noc(C)c1S(=O)(=O)Nc1nc(-c2cccc(Br)c2)cs1	916102264	OIEGGBOBQQWAPW-UHFFFAOYSA-N	414.306	3.978	10	20	HHCD	
Cc1cc(C)n([C@@H](C)CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	916458100	VBCSYIFCAKHISY-INIZCTEOSA-N	424.467	3.623	10	20	HHCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1cc(Br)c2c(c1)OCCO2	917517813	SRJQOFOPEHXQJL-GXDHUFHOSA-N	409.305	3.677	10	20	HHCD	
C/C(=C/C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CC1	919547348	VEDWGLHYMMSEPB-WUFNSSIPSA-N	403.434	3.689	10	20	HHCD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	920495743	AMBLGDKVVQQXEC-CRAIPNDOSA-N	416.499	3.989	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1	920880547	JEAOXNCVVJCNPY-WZONZLPQSA-N	410.514	3.572	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1	1118731552	NONHGADWMRLPTF-LJQANCHMSA-N	401.938	3.731	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)c2ccccc2)OCCO3)cc1	4244695	ATXWKJYQISBOKO-UHFFFAOYSA-N	409.463	3.798	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N(C)Cc1ccc(N2CCOCC2)cc1	11193275	GIYDWBNRAXMVPP-INIZCTEOSA-N	419.472	3.584	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3Cn3cncn3)c2C)cc1	108673726	NZVONFQHAWFNAX-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3nnc(C(C)(C)C)s3)ccc21	467317536	AJLYFDQKPIBFMP-UHFFFAOYSA-N	400.548	3.984	10	20	HHCD	
CCCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c(C)c1	729061500	GFJLCLXJTXGJDW-HNNXBMFYSA-N	400.475	3.704	10	20	HHCD	
CCOc1ccc(CN[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)c(O)c1	729682885	GWHZDFXFGSSOFW-KRWDZBQOSA-N	401.526	3.923	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2)CC1	731016704	VGMMWGBDJXSHKA-UHFFFAOYSA-N	407.514	3.503	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCCNC(=O)c2ccc(F)cc2)cc1F	731346497	XCNLFRWTIRLAQK-UHFFFAOYSA-N	403.473	3.637	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(Cc3ccsc3)CC2)cc1F	731364241	UYCLQLRDADGHSX-UHFFFAOYSA-N	404.555	3.761	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccc1O)C[C@@H]1CCCO1	731844886	QFFJRZMSOMLWJG-IBGZPJMESA-N	413.474	3.619	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(C(N)=O)s2)cc1	732114888	PBSNKYNOPRSCST-UHFFFAOYSA-N	409.511	3.769	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1	732476331	FNSSTBFJTAYJJI-HNNXBMFYSA-N	404.308	3.575	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(F)ccc2Oc2ccccc2)c1	734073779	CWYUDSVHKQFALV-UHFFFAOYSA-N	410.401	3.587	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1	734522641	RVPUBPMBMTXWFZ-BGYRXZFFSA-N	424.589	3.670	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3nc(C(C)(C)C)ns3)cc2F)C[C@@H](C)O1	734932863	JRKABTRNNKIGNM-BETUJISGSA-N	421.542	3.910	10	20	HHCD	
Cc1ccsc1S(=O)(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742335164	XJFNKEQXKFMDDT-ZDUSSCGKSA-N	402.488	3.605	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2c(s1)CCOC2	742799165	HVRSINBWIRONOV-CQSZACIVSA-N	408.470	3.821	10	20	HHCD	
Cc1noc(C)c1N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	747877581	QUKHDOFWYRMCRR-GXDHUFHOSA-N	421.569	3.997	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C	751937779	WKCBOWUACCGLJV-JTOWHCCKSA-N	415.559	3.802	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(C)nc3Br)CC2)cc1	755607015	YDTCCWIHCLNSSJ-UHFFFAOYSA-N	404.308	3.514	10	20	HHCD	
COc1cccc(-c2nc(C)c(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)[nH]2)c1	755661158	FKDOOKVEJWCAHQ-INIZCTEOSA-N	420.513	3.721	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cc3c(cc2Br)OCCO3)c1	757627714	HQYJRFJRZBGJJW-JTQLQIEISA-N	408.248	3.886	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCCCSc2nccs2)C1	759581351	UABLLWYGPWWZBV-CQSZACIVSA-N	414.597	3.572	10	20	HHCD	
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NCCc3ccc(O)c(O)c3)ccc21	761643442	RUAKOUAJKIWIMF-UHFFFAOYSA-N	413.474	3.760	10	20	HHCD	
CC(C)c1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	761974244	ULBVJRZHLDYZDD-UHFFFAOYSA-N	407.436	3.990	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@H](S(C)(=O)=O)C2)cc1	764433558	NFMZOADVXBTONJ-SFHVURJKSA-N	414.531	3.817	10	20	HHCD	
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCc1cccc(Br)c1O	764767830	PPXBDAOKKHGNQG-GFCCVEGCSA-N	421.291	3.704	10	20	HHCD	
O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc3nonc23)c1	765038813	YJHZMIVQRWVRDF-UHFFFAOYSA-N	409.427	3.668	10	20	HHCD	
Cc1noc2nc(C3CC3)cc(C(=O)NCc3cccc(Br)c3O)c12	765753034	MOYKGANRPJTFAF-UHFFFAOYSA-N	402.248	3.807	10	20	HHCD	
CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	766558985	GVQFOGLJILSBPK-MRXNPFEDSA-N	408.458	3.842	10	20	HHCD	
Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(O[C@H]2CCOC2)c1	766582100	OSDKWPYSHYFWNC-NQIIRXRSSA-N	414.521	3.989	10	20	HHCD	
COc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CCO2	768529474	OSTRUVYPRHCOBV-ICSRJNTNSA-N	412.486	3.615	10	20	HHCD	
CC(C)(CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccncc1	768942286	YEDOFMKHHYWNBT-UHFFFAOYSA-N	418.488	3.929	10	20	HHCD	
CN1CCC(N2CCC(CCN(C)Cc3cccc(Br)c3O)CC2)CC1	769528330	VHAZRHWHYGCVTE-UHFFFAOYSA-N	424.427	3.783	10	20	HHCD	
CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1	770349916	ILFJHYAMNWKSGY-PKTZIBPZSA-N	423.557	3.706	10	20	HHCD	
COc1ccc(-n2nc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2C)cc1	770826603	JUOQTAYGPWYDHG-NRFANRHFSA-N	421.497	3.716	10	20	HHCD	
Cc1cc(C[C@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n(-c2ccccc2)n1	773024779	UFTGXPZDRLHWLK-IBGZPJMESA-N	415.541	3.987	10	20	HHCD	
COC1CCN(C2(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)CCCC2)CC1	773294841	WMUOJLKYXNYQDP-GOSISDBHSA-N	402.583	3.536	10	20	HHCD	
C[C@H]1CN(C(=O)Cn2cc(NCc3cc(-c4ccccc4)ccc3O)cn2)C[C@@H](C)O1	773404015	AHZVWMHUCGKBNW-HDICACEKSA-N	420.513	3.504	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1	773622578	GQXPANDUQGVWBR-ROUUACIJSA-N	423.561	3.740	10	20	HHCD	
O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@@H]1c1ccccc1Br	775728440	UPBPWNLDDVALPQ-OAHLLOKOSA-N	413.674	3.620	10	20	HHCD	
Cc1ccc(NCc2cc(Br)cc(C)c2O)c(OCC(=O)N(C)C)c1	775748451	ANBDHDIKOGJUBB-UHFFFAOYSA-N	407.308	3.851	10	20	HHCD	
COC(=O)[C@H](NCc1cc(Br)cc(OC)c1O)c1cc(C)cc(C)c1	779180810	MRENCCRDJBKHTF-QGZVFWFLSA-N	408.292	3.784	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc3[nH]ccc3c2)cc1	782423901	OPADSBPDARGZPM-UHFFFAOYSA-N	416.481	3.994	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1N(C)S(C)(=O)=O	782788942	OMXGSPKAPOCFIJ-UHFFFAOYSA-N	418.563	3.591	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(OC(F)(F)F)cc1	785804846	RBOFVCAGVSXIHG-UHFFFAOYSA-N	424.419	3.736	10	20	HHCD	
C[C@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(N(C)C)cc1	793561650	RNGAFFUZWWOUFO-UPCLLVRISA-N	406.530	3.828	10	20	HHCD	
COc1ccc(CNC(=O)CCc2nc3ccccc3n2-c2ccccc2)c(O)c1	794376172	DBZKWOFOCRMTTC-UHFFFAOYSA-N	401.466	3.989	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(Br)c(O)nc2C)cc1	794851342	GLXSKROCXXPPOQ-UHFFFAOYSA-N	406.324	3.977	10	20	HHCD	
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1cc(Br)cc(C)c1O	798959101	VWSAVHRDUJPUDX-SFHVURJKSA-N	419.319	3.993	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)c1	799253682	UPJXKODOMVXHKF-QMMMGPOBSA-N	401.221	3.663	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C2CCN(C(=O)[C@H](C)CSC)CC2)cc1F	799415066	LVWCLQQRZVPHGX-MRXNPFEDSA-N	423.598	3.526	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Oc2ccccc2)cn1	799531206	QAWHKCFKBKGCDY-UHFFFAOYSA-N	403.482	3.983	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cc(C3CC3)no2)c(C)n1-c1ccc2c(c1)OCCO2	799580043	GAHXIIFMMSDTDJ-UHFFFAOYSA-N	422.437	3.770	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21	800052635	FCUSMMUYWAXQLO-KRWDZBQOSA-N	422.298	3.929	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)c3nccn3-c3ccccc3)CC2)cc1	806058309	IZCMYZRGXBWRIE-LJQANCHMSA-N	419.529	3.864	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCn2c(cc3ccccc32)C1	806458667	ZZOMWLAILCESSB-UHFFFAOYSA-N	422.504	3.733	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)cc1F	806580306	AYPASTPMFJZCMK-OAHLLOKOSA-N	418.900	3.811	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	807838168	KARVVWFQFNJZHR-UHFFFAOYSA-N	407.213	3.723	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CSC(c2ccccc2O)=N1	816826134	XMFGSENBEXEOSX-HXUWFJFHSA-N	409.555	3.903	10	20	HHCD	
CC(C)[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1C(=O)c2ccccc2C1=O	914484631	KNLNXZRTHPCWFW-QFIPXVFZSA-N	419.525	3.564	10	20	HHCD	
CN(CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ncccn1	914687654	HFTRULCPKYAMNB-UHFFFAOYSA-N	404.430	3.510	10	20	HHCD	
COc1ccc(N2CCCN([C@@H](C)C(=O)NCc3ccccc3Cl)CC2)cc1	917088378	UAHWKXLWJALKBN-KRWDZBQOSA-N	401.938	3.566	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCc4occc43)cc2F)C[C@@H](C)O1	918210286	LHXPMRHIFIQPKL-ZRGWGRIASA-N	401.482	3.909	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2)cc1F	1319092982	MLYMSKWTCSFBMX-CYBMUJFWSA-N	404.511	3.770	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)COC(C)C)C3)cc1	1800512107	LNULVQPYICHZAD-UADZTWIMSA-N	423.557	3.771	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@]3(C)C[C@@H]3C)C2)cc1	1845088492	BKWRUBAEUZEFMW-XDHUDOTRSA-N	405.542	3.957	10	20	HHCD	
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2O)c1	109676774	PBBBIODILKRKDT-UHFFFAOYSA-N	410.495	3.537	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNCc1cn(C)nc1-c1ccc2c(c1)OCCCO2	237174279	BONMCIDXZVQNTI-UHFFFAOYSA-N	406.530	3.913	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3csc(C(C)(C)C)n3)CC2)cc1	237273347	JDDFRYKMTRKAFI-UHFFFAOYSA-N	402.608	3.751	10	20	HHCD	
Cc1cc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1	303222606	VSJPDASEMMTLIO-QZTJIDSGSA-N	408.546	3.583	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@H]3CC(=O)N(C(C)C)C3)no2)C1	551183924	RIMHMRPNHBESFN-KRWDZBQOSA-N	421.545	3.563	10	20	HHCD	
COc1cccc(C2CCN(C(=O)C(=O)NCc3c(C)c4ccccc4n3C)CC2)c1	565091833	BEDLKNNNHBVTSH-UHFFFAOYSA-N	419.525	3.518	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)cc1	725855619	CWWXPKYCKVNRLM-LJQANCHMSA-N	418.335	3.798	10	20	HHCD	
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	726190797	LUCAALRPYLVIFR-UHFFFAOYSA-N	424.520	3.986	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc4c(cc3Cl)OCCO4)CC2)cc1	726694326	JUFSQEMKMAEETJ-UHFFFAOYSA-N	417.893	3.910	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1	727764970	XIDPSSSIJGQEQF-RUZDIDTESA-N	421.585	3.833	10	20	HHCD	
Cc1cc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Cl)c1	728868491	VBVNCEMJIPDSMP-GOSISDBHSA-N	406.935	3.539	10	20	HHCD	
O=C(c1cc(Cl)nc(N2CCCC2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735516756	ZMPLBJMWKMPHJP-SFHVURJKSA-N	415.921	3.862	10	20	HHCD	
COc1ccccc1-c1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)no1	735519011	NHNMDGDVVLRNPT-KRWDZBQOSA-N	408.454	3.877	10	20	HHCD	
CC(C)CCOc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1	743049227	DEOWEFMXIBMJEE-UHFFFAOYSA-N	406.533	3.769	10	20	HHCD	
Cc1cccc2c(CCNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c[nH]c12	743565244	VHPKHSSUANRSKM-SFHVURJKSA-N	406.530	3.916	10	20	HHCD	
CC(C)N1CCC[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745805146	XYHDXSMQOJMJGI-QZTJIDSGSA-N	424.536	3.676	10	20	HHCD	
CCCN(Cc1ccc(F)cc1)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	746034302	NJGLPUBAMFBCNV-UHFFFAOYSA-N	414.521	3.978	10	20	HHCD	
Cc1cc(C(=O)O[C@H]2CCN(C3CCOCC3)C2=O)c(C)n1-c1ccc(Cl)cc1	746964640	AIKOPRQKIUSEOH-FQEVSTJZSA-N	416.905	3.684	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C)CS(C)(=O)=O)c(C)n1-c1ccc(C(C)C)cc1	747075830	NJKCBROVYZIXFC-HNNXBMFYSA-N	419.543	3.624	10	20	HHCD	
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	750670868	OPPGUPBJHDDXSX-AXTPWFNZSA-N	405.608	3.898	10	20	HHCD	
O=C(CSc1ccccc1C(=O)N1CCS[C@H]2CCCC[C@@H]21)N1CCCC1	752487204	POCZYSSYVUBBLD-HKUYNNGSSA-N	404.601	3.901	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)n2)ccc1F	753978609	RCSXIXUNJCQSEP-UHFFFAOYSA-N	419.459	3.503	10	20	HHCD	
C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(Br)cc1O	756577083	YBAHPWQXTZNOBB-ZDUSSCGKSA-N	407.308	3.958	10	20	HHCD	
C[C@H](N[C@H](C)CO[C@@H]1CCOC1)c1cc(Br)cc(Br)c1O	756641053	RTZLHYSDWGPGJO-JFGNBEQYSA-N	423.145	3.762	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2ccc(O)cc2)cc1	757445147	HDZBLBJDAKWZTD-FQEVSTJZSA-N	400.544	3.758	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c(OC[C@H]2CCCO2)c1	757706631	LJMAWASADGHNBA-HSZRJFAPSA-N	421.541	3.928	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1cccs1	759596918	WRAKTDOZCZHOEJ-DMGQTMSCSA-N	409.463	3.622	10	20	HHCD	
CN(C[C@H]1CCCN1C(=O)NCCCSc1nccs1)C(=O)OC(C)(C)C	759600966	BOPRDWMBEKIPEH-CQSZACIVSA-N	414.597	3.666	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1F	763567416	YDLYUGDGAHTQMU-INIZCTEOSA-N	405.514	3.545	10	20	HHCD	
CC(C)(C)C1CCC(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1	764939149	LTAQRQRYTKNPHT-UHFFFAOYSA-N	420.619	3.780	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1F	765422265	DYWODRCSVGGDGI-KRWDZBQOSA-N	419.884	3.538	10	20	HHCD	
CSc1nc(C2CC2)nc(C)c1C(=O)NCc1cccc(Br)c1O	765747077	KVSMYJHQFRCMNP-UHFFFAOYSA-N	408.321	3.782	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(OC(C)(C)C)cc1	765797343	BJIAFUIWPORFHJ-SFHVURJKSA-N	416.587	3.950	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C(=O)Nc1cc(Cl)ccc1Cl	765904752	UMMURIMWKXIZMW-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)cc2)CC1	768527315	WRCLXVWFLXUCND-KNQAVFIVSA-N	403.592	3.777	10	20	HHCD	
COc1cc(F)ccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769670774	FPILOIIXEZOLPZ-UHFFFAOYSA-N	422.459	3.655	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Cc3ccccc3I)ccc21	771253731	FCWCZJSRPGYIES-UHFFFAOYSA-N	420.294	3.533	10	20	HHCD	
COc1ccc2c(c1)nc(CNC(=O)N(Cc1ccco1)Cc1ccccc1O)n2C	771391413	IIMXTUZNBXFPJQ-UHFFFAOYSA-N	420.469	3.793	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)N(C)Cc2cc(Br)cs2)c1	775374726	DGHSXCOMYPHOKX-NSHDSACASA-N	413.337	3.534	10	20	HHCD	
COCC(=O)Nc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	777549419	QGKKEEZUIMXVDV-HNNXBMFYSA-N	403.910	3.935	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	777829417	WRZLVTGBJUPGGG-CABCVRRESA-N	409.816	3.629	10	20	HHCD	
Cc1ccncc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	783001981	NUZUNQKVQRKPSY-HZPDHXFCSA-N	413.477	3.843	10	20	HHCD	
O=C(CCSc1ccc(Br)cc1)OCC(=O)c1ccc(O)c(O)c1	783123713	NYCABZWDCZCTCR-UHFFFAOYSA-N	411.273	3.769	10	20	HHCD	
Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784063038	ZGDFLEWWVBPAIT-UHFFFAOYSA-N	408.546	3.943	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)nn1-c1ccc(Cl)c(Cl)c1	784568266	UAGDUBNUYKXIDE-UHFFFAOYSA-N	421.236	3.938	10	20	HHCD	
C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785178677	FBKUYDVOKRYSBO-OAHLLOKOSA-N	409.490	3.802	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c(-n2cc(Cl)cn2)n1	786708810	QPNVCRZIBHIZJC-UHFFFAOYSA-N	424.936	3.829	10	20	HHCD	
Cc1ccc(Br)nc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	787139589	HXJSLMPQVAEVKR-HNNXBMFYSA-N	405.292	3.680	10	20	HHCD	
COC[C@H](Cc1ccccc1)N(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	788766786	UPPNLQGYHWZJQN-QFIPXVFZSA-N	411.546	3.563	10	20	HHCD	
O=C(NCCCCn1cc(Br)cn1)NCc1ccc(N2CCCC2)cc1	792028243	OGFQLKKQEFKELH-UHFFFAOYSA-N	420.355	3.525	10	20	HHCD	
COC(=O)CCN(Cc1cccc(Br)c1)Cc1cccc(OC)c1O	792184248	DXDKLCGDDVDZJI-UHFFFAOYSA-N	408.292	3.729	10	20	HHCD	
C[C@@H](NC(=O)Cc1ccc(I)cc1)c1ccc(N(C)C)cc1	792607456	RNYJYYOLPWDATG-CYBMUJFWSA-N	408.283	3.777	10	20	HHCD	
COc1ccc(Cl)cc1NC(=S)NCc1ccc(N2CCC(O)CC2)c(F)c1	792679696	MATSXCVPHXSISA-UHFFFAOYSA-N	423.941	3.935	10	20	HHCD	
CCn1cc([C@H]2C[S@](=O)CCN2Cc2cc3oc4ccccc4c3cc2O)cn1	792716221	WHUUIXOOUSZBJA-SONOPUAISA-N	409.511	3.814	10	20	HHCD	
COc1ccc(OC)c2c1CN(Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H]2O	792772793	BOXMAUWHPWZRAS-KRWDZBQOSA-N	410.436	3.838	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ncccc1Br	793689126	JTQNHZGYPLSFLL-AWEZNQCLSA-N	424.726	3.598	10	20	HHCD	
Cc1ccn(C)c(=O)c1NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800546936	NNDULBSPXZBBLP-AWEZNQCLSA-N	402.926	3.905	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cl)c4ncccc34)cc2)C1	800854113	OAIZDIMSUJYHQI-INIZCTEOSA-N	422.916	3.520	10	20	HHCD	
Cc1ccccc1C1(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	804354886	MTPMPIZXCISQKC-UHFFFAOYSA-N	407.558	3.646	10	20	HHCD	
COc1ccc([C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	805025022	ZPOVCLAYIJIFEC-LJQANCHMSA-N	423.557	3.767	10	20	HHCD	
Cc1ccc(C[C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1	807279191	TVLIWGPDNKAGPC-QGZVFWFLSA-N	413.587	3.753	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc(F)c(F)cc1Cl	807513041	QMTYQDJMHWKZBI-UHFFFAOYSA-N	409.603	3.886	10	20	HHCD	
CN(C)c1ccc(CNCc2ccncc2OC[C@@H]2CCOC2)c(C(F)(F)F)c1	808435907	CIOPJNPUIHSTAQ-OAHLLOKOSA-N	409.452	3.872	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccccn3)cc2)cc1	810352240	AMXNERNYMOASBY-UHFFFAOYSA-N	402.498	3.850	10	20	HHCD	
COc1ccc(OCCCS(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1	811704255	CBAALBBSJBJFMP-UHFFFAOYSA-N	409.504	3.537	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccc(C(=O)OC)cc1	815576864	ACRUTBBKRFKILP-QFIPXVFZSA-N	413.537	3.995	10	20	HHCD	
O=C(Nc1ccccc1N1CCCC1=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	916673493	SPPBWLLPCRDYMA-SFHVURJKSA-N	409.486	3.732	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1	918198839	IEHVANPZMHUJTO-GHRIWEEISA-N	403.550	3.534	10	20	HHCD	
CC1(C)Oc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2O1	918294662	RMACGOQUBJLVGM-UHFFFAOYSA-N	422.437	3.660	10	20	HHCD	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(N2CCOCC2)cc1	920887642	GLGHUPOWSUKWFK-QGZVFWFLSA-N	424.501	3.523	10	20	HHCD	
Cc1ccc(-n2nc(C)cc2NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	1319052814	FTQCCHWNTSAJHU-UHFFFAOYSA-N	423.492	3.787	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1-c1ccc(C(C)C)cc1	17180482	JBBCEEOIHCWALS-UHFFFAOYSA-N	403.486	3.544	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)ccc21	484960236	POTACTWBUODCFD-UHFFFAOYSA-N	423.513	3.532	10	20	HHCD	
Cc1cc(-c2ncco2)ccc1NC(=O)C1=S=C(S(=O)(=O)c2ccccc2)C=C1	552537202	OBNICTQTFZWBMB-UHFFFAOYSA-N	424.503	3.668	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(-n4nnnc4C)ccc3F)ccc21	594486093	YWUHZNBNBKJYKV-UHFFFAOYSA-N	422.464	3.580	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)[nH]1	726235905	JFJMUZFIMZHZSR-NRFANRHFSA-N	419.529	3.864	10	20	HHCD	
COc1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726609122	LHKVUYOGLNHVNE-UHFFFAOYSA-N	405.445	3.765	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)cn2)cc1	727375948	WVVLZNSHMRCXCV-SFHVURJKSA-N	418.335	3.732	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(OCC(C)C)c2)cc1F	731408832	XNBKNMYIDZDYHJ-UHFFFAOYSA-N	415.509	3.962	10	20	HHCD	
CCOC(=O)Cn1ccc2cc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)ccc21	733631558	JJHCITJKNXXPQM-CQSZACIVSA-N	411.458	3.801	10	20	HHCD	
COC(=O)[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1	735506402	AHOBFDQQURAIAU-IBGZPJMESA-N	408.420	3.900	10	20	HHCD	
C[C@H]1c2c(F)cccc2CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	738974346	GOKVKYRKAYDOHT-HNNXBMFYSA-N	415.484	3.755	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O	740483946	FQMVXZVGESPSFY-FQEVSTJZSA-N	414.937	3.743	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	740919190	GUCJUQZIBBLOIO-IBGZPJMESA-N	414.550	3.509	10	20	HHCD	
Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)n1	741136436	AKNBFDBEZXYSOI-UHFFFAOYSA-N	415.496	3.876	10	20	HHCD	
O=C(NCC[S@](=O)Cc1ccccc1)N(Cc1ccco1)Cc1ccccc1O	741418543	GWSOQQLEIFACRX-LJAQVGFWSA-N	412.511	3.646	10	20	HHCD	
COc1ccc(O[C@@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1	743554571	IFCULTLKZWEEFJ-KRWDZBQOSA-N	415.559	3.515	10	20	HHCD	
CC(C)(C)c1ncc(/C=C/C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)s1	744361888	HMTRJFAJBCOKLU-JXMROGBWSA-N	404.557	3.837	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1	753634974	AJKQZLWOHLRVFI-CYBMUJFWSA-N	411.479	3.959	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1O	756454255	BSONXYLTBILCMH-ZYHUDNBSSA-N	401.246	3.698	10	20	HHCD	
C[C@@H](NCCCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1O	756534589	LOXAWRPUEUAXNH-LJQANCHMSA-N	405.546	3.588	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCCC(=O)N(C)Cc2ccccc2Br)c1	756561511	DGSKBBCJCBQNLD-CQSZACIVSA-N	421.335	3.863	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1	756571477	FHZCGJOKCBWDFV-HUUCEWRRSA-N	416.493	3.691	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1	759447213	LDCPSZGOBPFCNH-HXUWFJFHSA-N	419.472	3.946	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)NCCCSc1nccs1)c1ccc(F)cc1	759545665	DZPUZMATSYTRRE-OAHLLOKOSA-N	405.524	3.587	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1	763545040	APVWFCQQGHXTDW-SFHVURJKSA-N	418.538	3.978	10	20	HHCD	
CCNC(=O)c1ccc(C)c(NC(=O)NCc2cccc(Br)c2O)c1	765235469	UQBBOOPJMFMZAS-UHFFFAOYSA-N	406.280	3.535	10	20	HHCD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	765363036	OZPNGISMPFWBFB-FQEVSTJZSA-N	411.502	3.659	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1CCCCN1Cc1ccc(F)cc1	765763586	DVYWTAWDOVYHDK-SFHVURJKSA-N	421.310	3.965	10	20	HHCD	
COc1ccc(N2CCC(NCCc3c(OC)cc(OC)cc3OC)CC2)cc1	765871711	QIVMRYVBLIYIIC-UHFFFAOYSA-N	400.519	3.522	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	768684796	DGLCBAFXFDAMBP-UYAOXDASSA-N	403.567	3.648	10	20	HHCD	
CN(CC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1)C(=O)OC(C)(C)C	769334931	HVVFGNXEFGOONI-UHFFFAOYSA-N	421.557	3.741	10	20	HHCD	
Cn1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(-c2cccs2)n1	769551498	MMVOXCFLBWMHCG-GXDHUFHOSA-N	421.569	3.995	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cc1)C1CCCCC1	771424635	WPMGSAVDORUFIF-CVDCTZTESA-N	401.551	3.593	10	20	HHCD	
Cc1cc(C(=O)CN(C)CCc2cnccn2)c(C)n1-c1ccc(OC(F)F)cc1	771459690	FPKXNTNULVCQGD-UHFFFAOYSA-N	414.456	3.843	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccccc3NC(=O)NC(C)C)c2)CC1	771638048	XTGWRLDREHBGDS-UHFFFAOYSA-N	409.534	3.611	10	20	HHCD	
C[C@@H](NC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(N(C)C)cc1	773614656	BNWKBKDIZMUBIL-QGZVFWFLSA-N	412.509	3.510	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(C(F)(F)F)c1	774922062	HCKYATJYRYOFKZ-CQSZACIVSA-N	419.447	3.581	10	20	HHCD	
Cc1cc(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)c(C)n1-c1ccccn1	775200348	WPRRUDVZQKTUGO-UHFFFAOYSA-N	407.489	3.838	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)c2cc(Cl)ccc2Cl)c1	775364274	QMDQCLYWGFJHHQ-LLVKDONJSA-N	404.315	3.832	10	20	HHCD	
CC[C@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1cc(Cl)ccc1O	775503228	DSAYNBKPDVKOOX-NQIIRXRSSA-N	415.965	3.984	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@H]([C@@H]2CCOC2)C1	775726738	YMVYVVXIEUCHTO-WDEREUQCSA-N	405.130	3.776	10	20	HHCD	
C[C@@H](NCc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccc(N(C)C)cc1	775833458	JJPGFMUXOCYIBZ-CQSZACIVSA-N	413.522	3.524	10	20	HHCD	
COC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCCC1	776133919	ZZTRANIBMDMHDJ-UHFFFAOYSA-N	411.493	3.905	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H]1C1CCOCC1	777741006	KESTXDWVHGKZHC-PXNSSMCTSA-N	423.504	3.857	10	20	HHCD	
COc1cccc(CN2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c1O	779612362	YBEGVGOTPPISQC-OAQYLSRUSA-N	407.514	3.836	10	20	HHCD	
CC1(NC(=O)OC(C)(C)C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	780482804	LXEUAMRRRNXVLX-UHFFFAOYSA-N	414.550	3.652	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]3C2)cc1	783937552	CYASJSNAAHHLGN-SXLOBPIMSA-N	416.566	3.587	10	20	HHCD	
COC(=O)c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1C	784062144	YODNLDKPNZOFOD-UHFFFAOYSA-N	409.486	3.668	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(-c2ccco2)cc1F	787503309	STZPPENAKHACPE-UHFFFAOYSA-N	408.429	3.925	10	20	HHCD	
COc1ccc([C@@H](CN[C@H](C)c2c(C)cc(C)cc2O)N2CCOCC2)cc1OC	788501665	GMKJIUOXCMHCJU-UYAOXDASSA-N	414.546	3.750	10	20	HHCD	
C[C@@H](O)C[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	790703495	ZZUFXFAKVUHFEV-CRAIPNDOSA-N	411.493	3.592	10	20	HHCD	
COCCC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(Br)c1O	792282985	PVFGUQXENNHSIP-QGZVFWFLSA-N	421.335	3.992	10	20	HHCD	
CCOc1cccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	793825474	DSSNBJTXXSQMEK-LJQANCHMSA-N	423.557	3.815	10	20	HHCD	
O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCCC2)cc1	795202840	CPQSRWYCRZHFSP-UHFFFAOYSA-N	420.962	3.811	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(Cl)c(CN4CCOCC4)c3)cc2)CC1	797468412	BXZCMHQIJHIRKX-UHFFFAOYSA-N	414.981	3.536	10	20	HHCD	
C[C@@H]1OCC[C@]12CN(C(=O)NCc1ccc(N3CCC[C@@H](C)C3)c(Cl)c1)CCO2	799995350	YYRTYIKQNGAXKZ-JLHGSKIFSA-N	421.969	3.666	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	800758679	CEPDLWQWOXYANJ-SSZFMOIBSA-N	408.546	3.504	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1Br	807512781	JDIJKORFCOXJRP-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
CC[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)Oc1ccccc1Cl	807675207	VAXDKYJHNXLTJA-CRAIPNDOSA-N	417.937	3.557	10	20	HHCD	
COCC1(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CCOCC1	811433158	OVWXMYBCYIDOQN-UHFFFAOYSA-N	413.514	3.880	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1	812054608	KQCPYUMQXTZULR-WOJBJXKFSA-N	423.517	3.734	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1	813481006	RQTNMSSFMBRZBQ-SFHVURJKSA-N	402.413	3.540	10	20	HHCD	
CN(C)c1cc(F)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-]	813683229	XXMOHDIBUVKFFB-UHFFFAOYSA-N	402.209	3.742	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCC[C@@H](O)CC2)sc(C)c1-c1ccccc1	815299929	VQLYDKVLUQORBW-QGZVFWFLSA-N	416.543	3.686	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc4c(OC(F)F)cccc4[nH]3)CC2)cc1	825123361	PTZBBKKQGLYALS-UHFFFAOYSA-N	401.413	3.740	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3c(c2)NC(=O)CO3)cc1	914454839	CSHLJYILMGNUCX-UHFFFAOYSA-N	405.454	3.519	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1F	915220274	PPNHBXYYFXSOGI-UHFFFAOYSA-N	422.459	3.530	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-n2cccn2)c(F)c1	916691814	GYEAAWBCFSEZPT-UHFFFAOYSA-N	409.465	3.512	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cl)cc2cccnc12	918303705	ICCAVAGEBJRWCS-UHFFFAOYSA-N	410.905	3.941	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccn1Cc1cccs1	919969916	HQAPPPVJUHYKQG-UHFFFAOYSA-N	409.555	3.737	10	20	HHCD	
CC(C)[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1C[C@@H](C)O[C@H](C)C1	921202829	HADSEOSYHYTXRS-TXTKFYIRSA-N	401.595	3.769	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCCOc3cccc(C(C)=O)c3)CC2)cc1	1116348148	OZIMZDFULSLVGG-UHFFFAOYSA-N	410.514	3.796	10	20	HHCD	
CSc1ccc([C@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)N(C)C)cc1	1324223994	XKXKTCSNHCUMOK-QHCPKHFHSA-N	416.610	3.692	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)c(C)n1-c1cccc(Cl)c1	303002811	IDICCLOVOJNAFM-IBGZPJMESA-N	417.962	3.885	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1F	303381330	VZZHPZBXTHZTPL-UHFFFAOYSA-N	411.437	3.696	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)n(C)c2ccccc12	503468768	LDLBZXRVXYOXGV-PEBXRYMYSA-N	407.489	3.682	10	20	HHCD	
CN(C)Cc1ccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cc1	530632934	DTANLVJSSUXTAE-UHFFFAOYSA-N	404.495	3.681	10	20	HHCD	
CCc1noc2ncc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc12	726565655	JITSYJJQRJRTAM-UHFFFAOYSA-N	416.428	3.785	10	20	HHCD	
O=[N+]([O-])c1c(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc2sccn12	726594718	NOCVDEICOKDANB-UHFFFAOYSA-N	409.418	3.986	10	20	HHCD	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1ccc(N2CCOCC2)cc1	727105404	ZTLVBQQLGNQROK-OAHLLOKOSA-N	408.420	3.626	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)/C=C\c3nc4ccccc4s3)cc2F)CC1	730193172	YBESEULDVLMUKX-KTKRTIGZSA-N	424.545	3.907	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCCC[C@H]3C(=O)N3CCCC3)cc2)CC1	732767214	VYDKUWVKYYZFOO-XZOQPEGZSA-N	411.590	3.968	10	20	HHCD	
Cc1nc(CN2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)no1	733996380	RYATUXCSXMDQHV-UHFFFAOYSA-N	419.489	3.550	10	20	HHCD	
COc1ccc(N(CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)C(C)C)cc1F	734147922	VQZXFKZDXYVIFH-UHFFFAOYSA-N	422.522	3.872	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCN(c2ccc(F)cc2)CC1	735464527	HFZOLSFTPUZTHU-LJQANCHMSA-N	424.564	3.593	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCCN(Cc2ccccc2)C1	742774138	DROWZVBRHIRWPP-HSZRJFAPSA-N	406.574	3.998	10	20	HHCD	
Cc1c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cccc1N1CCOC1=O	743245349	ZCUFGHKSIAVXAP-KRWDZBQOSA-N	424.501	3.671	10	20	HHCD	
COc1cccc(CNC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c1O	745782740	WOFAZNWKPPOLSE-UHFFFAOYSA-N	411.502	3.919	10	20	HHCD	
Cc1csc([C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)n1	745863631	HXNOTZKMSWGZSH-MJGOQNOKSA-N	401.532	3.999	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(NC(N)=O)CC2)c(C)n1-c1cc(Cl)cc(Cl)c1	746482805	SGGZCRVBDBYRHZ-UHFFFAOYSA-N	423.344	3.716	10	20	HHCD	
C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	746758677	NZJGXNQXUOMHTA-GHTZIAJQSA-N	411.521	3.825	10	20	HHCD	
CCO[C@H](CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C1CCCC1	747510870	LHLUMCIZNYCWAO-JOCHJYFZSA-N	403.567	3.902	10	20	HHCD	
COc1cc(Br)ccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	748631287	CQMIAMXZRWLSKH-AWEZNQCLSA-N	419.319	3.785	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCc4nnc(C)n4C3)c2C)cc1C	750658960	NMFKVEQGYOOSEW-LJQANCHMSA-N	420.513	3.599	10	20	HHCD	
COCCCOc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	751008971	CVTPKCGKEWCOKQ-UHFFFAOYSA-N	415.559	3.977	10	20	HHCD	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	751783753	VSFORGVFXXIOLS-UTKZUKDTSA-N	411.521	3.874	10	20	HHCD	
Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc(OCc3ccccc3)cc2O)cn1	753550202	VDFPIMBPBBRJJH-GGAORHGYSA-N	407.514	3.793	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc4ccccc4o3)n2)o1	753976868	CYZZLTYOVZQYIQ-UHFFFAOYSA-N	417.468	3.586	10	20	HHCD	
Cc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(Br)c1	755140378	NZMIFKVEDXXEQL-UHFFFAOYSA-N	416.319	3.712	10	20	HHCD	
COc1ccc(OC)c([C@@H](C)NC(=O)CN(Cc2ccco2)Cc2ccccc2O)c1	756325855	AVAFONRKEWCTBG-QGZVFWFLSA-N	424.497	3.882	10	20	HHCD	
C[C@H](N[C@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)cc(Cl)c1O	756574924	HIGLBQAOGVHBIU-JSGCOSHPSA-N	416.791	3.627	10	20	HHCD	
C[C@H](NCCCN1C(=O)COc2ccccc21)c1ccc(Br)cc1O	756734426	WWTFDAJKWRASRY-ZDUSSCGKSA-N	405.292	3.621	10	20	HHCD	
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1	757263405	QAMSNABYQMELFA-KRWDZBQOSA-N	419.865	3.845	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCc4n[nH]cc4C3)c2C)cc1	757806772	IGZBNVWMFPZLBB-QGZVFWFLSA-N	421.497	3.747	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1	758531309	DPTAYLNGZSIOCX-HNNXBMFYSA-N	406.533	3.565	10	20	HHCD	
CC(=O)N1CCN(c2ccc(OC[C@H](O)c3ccc(Cl)cc3Cl)cc2)CC1	759068876	JBWZZTXLMXDLQF-FQEVSTJZSA-N	409.313	3.774	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c(C)n1-c1ccc(C(C)C)cc1	762652002	LDFCPCRVPDDLFZ-INIZCTEOSA-N	402.560	3.724	10	20	HHCD	
COCCOc1ccc(F)cc1NC(=O)NCc1cccc(Br)c1O	765279257	ZNZIBOYIVAZVBA-UHFFFAOYSA-N	413.243	3.641	10	20	HHCD	
C[C@H](NCc1ccc(OCCCN(C)C)cc1)c1ccc(N2CCOCC2)c(F)c1	765709487	UNCMHNNMFJLSCS-IBGZPJMESA-N	415.553	3.844	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1nn(-c2ccccc2)c2c1CCC2	765753659	OXMQFEMIUYBMKG-UHFFFAOYSA-N	412.287	3.759	10	20	HHCD	
CCSCc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2O)c1	765932464	ZALPIHVQHDHCKN-UHFFFAOYSA-N	423.332	3.663	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(OC(C)(C)C)n1)c1ccc(N2CCOCC2)cc1	767205686	FOPHNPAXTPPQMF-KRWDZBQOSA-N	412.534	3.656	10	20	HHCD	
COc1cc(O)c(CN(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC	768443907	IVFCQGPYVQIPLS-UHFFFAOYSA-N	406.523	3.773	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)NC(=O)C1CCCCC1	769292288	SUELJEFCSPMSLP-CYBMUJFWSA-N	411.340	3.588	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	769302626	UKMCJBZTPQVCKV-INIZCTEOSA-N	408.951	3.545	10	20	HHCD	
CC(C)OC[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)CCO1	770687139	COAMWNHGDOUMRQ-ZDUSSCGKSA-N	423.145	3.543	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773015620	QUOJLHMKGBNYCR-INIZCTEOSA-N	417.575	3.629	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1	775620125	BARJLXHYRPWNPG-WOUAJJJCSA-N	421.557	3.975	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1	779459549	BURSORSHYXVQKT-UHFFFAOYSA-N	409.530	3.542	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@@H](COc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	779984440	HRAQLPRUDCGEJK-WOJBJXKFSA-N	409.530	3.695	10	20	HHCD	
COc1cc(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1F	780308345	IIVOYKQOXMVGDU-UHFFFAOYSA-N	404.397	3.660	10	20	HHCD	
O=C1CCCN1CC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)c2ccccc21	780779190	QWHBIDCWOWWHCM-NRFANRHFSA-N	405.542	3.640	10	20	HHCD	
C[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCN1CC(C)(C)O	782012084	KSXGKZUWNLSNJW-GOSISDBHSA-N	409.534	3.818	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1sc(CC)cc1C(=O)OCC	784027553	KNKNQANULDVWAF-UHFFFAOYSA-N	418.515	3.570	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(-n3cccn3)cc2)cc1	784108484	ITUUCHCIJTXTRB-UHFFFAOYSA-N	403.486	3.616	10	20	HHCD	
CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785075483	HJLYWSMBDLTPNX-LJQANCHMSA-N	407.474	3.510	10	20	HHCD	
O=C1C[C@H]([C@@H]2CCCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CN1	785298692	LZWPSRFRTYTJCV-JXFKEZNVSA-N	419.485	3.558	10	20	HHCD	
CC[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ncc[nH]1	785635393	SAPJVFAOOXWFQD-KECPUOCWSA-N	420.585	3.720	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccccc1OC(F)F	787375118	UHYUFMJIOADDDH-HNNXBMFYSA-N	420.456	4.000	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2cnc(N3CCOCC3)s2)c1C	787752097	VXBNURLIIVQBRV-UHFFFAOYSA-N	410.543	3.626	10	20	HHCD	
CC(C)C[C@]1(CO)CCCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	788744600	UQFHVJIIRYHZND-PNCHPQGNSA-N	421.557	3.522	10	20	HHCD	
CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788913260	WMKGFBGVVIGBLL-LADGPHEKSA-N	419.569	3.979	10	20	HHCD	
C[C@@H](NC(=O)c1cnc(Br)c(Cl)c1)c1ccc(N2CCOCC2)cc1	790334022	YOUDSENMEOIUTH-GFCCVEGCSA-N	424.726	3.825	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)cc3F)n2)cc1	790639400	NFETWJZHIXEODT-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
COc1cc(N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)cc(OC)c1OC	792174012	BWRRPYCHXOYQDC-UHFFFAOYSA-N	410.873	3.533	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1	797631522	WBLGNGPVFJNJIV-AWEZNQCLSA-N	400.475	3.735	10	20	HHCD	
COCCC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1	799715511	RGXGYJYSAKUPLW-OFNKIYASSA-N	413.537	3.785	10	20	HHCD	
CCO[C@@H]1COCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799972708	OULVHBXKIPYFHC-XFQXTVEOSA-N	409.958	3.570	10	20	HHCD	
Cc1nc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1	800635906	AVOHVLFOKXZLIR-LBPRGKRZSA-N	420.966	3.905	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1OC	804275394	QUWRRLOMAYRACL-GJZGRUSLSA-N	416.493	3.695	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)Oc1ccc(F)cc1Br	808094974	MLQGETGXKQJVTD-NSHDSACASA-N	417.271	3.863	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC(F)(F)[C@H](C)C1	810044820	QFFSPUHWXNYQFC-KGLIPLIRSA-N	412.436	3.766	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c2C)c1	812279951	XRWPKRTWKVDOQA-QGZVFWFLSA-N	421.463	3.933	10	20	HHCD	
COc1cc(N2CCN(c3cncc(-c4cccs4)n3)CC2)cc(OC)c1OC	814874097	CVPIRTSJBHXLTG-UHFFFAOYSA-N	412.515	3.558	10	20	HHCD	
OC[C@@H](CNCc1cc(Cl)c(F)cc1O)Cc1cccc(Br)c1	816591454	FFOLWHFCKWFBHK-GFCCVEGCSA-N	402.691	3.888	10	20	HHCD	
Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1[N+](=O)[O-]	916456700	NYLZYQOOXULSHO-UHFFFAOYSA-N	423.391	3.689	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc1	916509411	NZVVWXATVRSWMT-DEOSSOPVSA-N	424.589	3.748	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1	918229970	ZFQMOHPSBBXKIV-UHFFFAOYSA-N	410.562	3.711	10	20	HHCD	
CC(C)c1ccc2cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)[nH]c2c1	918370584	ABRITAHAERIUTQ-FQEVSTJZSA-N	418.541	3.923	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	918586965	UUAQKXHJXKXABW-MRXNPFEDSA-N	408.951	3.644	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2ccc(OC(F)(F)F)cc2[nH]1	919767636	LWUOECFPDJSAAN-UHFFFAOYSA-N	419.403	3.833	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)Cc3cccc(O)c3)cc2F)C[C@@H](C)O1	919784435	QLDLQLNKEKXJTE-ZACQAIPSSA-N	415.509	3.575	10	20	HHCD	
O=C(CCCOc1ccccc1F)NCc1ccc(N2CCC(CO)CC2)cc1	919970189	STINPXMSAGLUQZ-UHFFFAOYSA-N	400.494	3.510	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc([N+](=O)[O-])c1	920844302	STPNBYQPWRYCDH-GASCZTMLSA-N	401.438	3.586	10	20	HHCD	
C[C@@H](NCc1ccccc1N1CCN(C)CC1)c1cc(Br)ccc1O	1116584751	LNHBBGCKQPJSPG-OAHLLOKOSA-N	404.352	3.757	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1	1320160270	SYZCBLYRTHZZBU-UHFFFAOYSA-N	400.438	3.639	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(c2nc3ccccc3o2)CC1	1322753778	JNZADSVWBMPZGF-UHFFFAOYSA-N	406.530	3.732	10	20	HHCD	
Cc1cc(C(=O)NCCc2nccn2C)c(C)n1-c1cccc(Br)c1	1520843992	JTGFXRTUMHPMKQ-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
Cc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788424235	KYVZYPCKCQAOSA-UHFFFAOYSA-N	423.494	3.924	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccccc1N1CCCC1=O)c1ccc(N2CCOCC2)cc1	141656700	AEHMRZMMXYIESB-QGZVFWFLSA-N	408.502	3.533	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCC[C@H]2n2cccn2)C1	435823886	BJGSIFDJOZBESN-XUZZJYLKSA-N	419.573	3.904	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCOc3c(F)cccc3C2)C1	447867251	WCSSYLPLKQZWMA-UHFFFAOYSA-N	421.516	3.968	10	20	HHCD	
CCN(CC)Cc1ccc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)cc1	801182397	NOEIHNJVQFBREE-UHFFFAOYSA-N	418.921	3.703	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@H](OC)C1	802440593	UFMYPUGHEKAATI-HTAPYJJXSA-N	423.561	3.860	10	20	HHCD	
O=C(COc1cccc(NC(=O)C2CC2)c1)NCc1cc(Cl)cc(Cl)c1O	807838897	BSFKEEPKSJVKMT-UHFFFAOYSA-N	409.269	3.743	10	20	HHCD	
CCN(CC)Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807511240	ILQYEMIRKBPDMN-UHFFFAOYSA-N	424.328	3.796	10	20	HHCD	
Cc1ccc(N2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2=O)cc1	806862078	IBXARSGFGXWIDR-INIZCTEOSA-N	408.285	3.612	10	20	HHCD	
Cc1cc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1Cl	807580714	CURUPZIVVUYTDY-UHFFFAOYSA-N	412.873	3.792	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc4c(s3)CCOC4)cc2F)C[C@@H](C)O1	728469327	PSSVRVYVSKAORR-ZIAGYGMSSA-N	404.507	3.504	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c2c(c1)C[C@@H](C)O2	727861245	QFVXHODKLKHVDW-OMJMQIJPSA-N	420.600	3.808	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1	731281110	SPZBODROVJXXRV-HXUWFJFHSA-N	410.562	3.525	10	20	HHCD	
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1	732656029	OHIDLCOJKBOLSP-QHCPKHFHSA-N	407.558	3.821	10	20	HHCD	
COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)c3cc(O)cs3)cc2)cc1	732272715	NSXFEENCMAQMBN-UHFFFAOYSA-N	418.496	3.657	10	20	HHCD	
CCc1c(C(=O)NCc2ccc3c(c2)CCCN3C)nnn1-c1cccc(Cl)c1	731455040	AAHLUNPWJRASKJ-UHFFFAOYSA-N	409.921	3.796	10	20	HHCD	
COc1ccc2[nH]cc(CCNC(=O)NCc3ccc(N4CCSCC4)cc3)c2c1	733342227	HTFMPGFIRIVOMW-UHFFFAOYSA-N	424.570	3.772	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)cc1F	731346041	QCTNGTZDTFOJQS-IBGZPJMESA-N	421.463	3.834	10	20	HHCD	
Cc1nccn1-c1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1	918112848	OLOBPXOSXBEZFF-UHFFFAOYSA-N	404.518	3.516	10	20	HHCD	
CC(C)OC(=O)C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1	740919179	FQSYDTNWDOTWJP-JOCHJYFZSA-N	407.514	3.945	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1OC(C)C	743193595	JVTPIHWHZVPZGO-IBGZPJMESA-N	424.545	3.806	10	20	HHCD	
CN(c1ccc(CNC(=O)CNC(=O)c2ccc(F)cc2F)cc1)C1CCCCC1	742822587	LTLLNNKMSCRFMK-UHFFFAOYSA-N	415.484	3.780	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C[C@H](C)c3ccc(F)cc3)CC2)cc1	918147665	MTKSWHYUSNCUSZ-IBGZPJMESA-N	413.537	3.656	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCCOCC(F)(F)F	745500875	OJDCDQNPUJKUPB-UHFFFAOYSA-N	413.234	3.655	10	20	HHCD	
Cc1nc(COc2ccccc2C(=O)NCc2ccc(N3CCOCC3)cc2)cs1	919767528	PWOFTLLIVPKZNB-UHFFFAOYSA-N	423.538	3.797	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1coc(-c2ccccc2)n1	745652060	IWHADRSAQVMCON-UHFFFAOYSA-N	420.513	3.550	10	20	HHCD	
O=S(=O)(c1ccc(NNC(=S)Nc2ccc3c(c2)CCC3)cc1)C(F)(F)F	919716685	LLMDLZLFFNIQTG-UHFFFAOYSA-N	415.462	3.782	10	20	HHCD	
COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3O)C2)c2ccccc12	748349194	BPKLDZGETNISQX-GOSISDBHSA-N	418.493	3.723	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1c1cccc2c1OCCO2	740919427	SQYNMKOJSLKFRH-OAQYLSRUSA-N	405.498	3.881	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2Br)cc1	918429404	IRZTXBSUJXUGMR-UHFFFAOYSA-N	404.308	3.550	10	20	HHCD	
CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1	742734669	HZOXTCYBSSYDCB-HNNXBMFYSA-N	400.454	3.986	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)c1	740925168	JQOMSBXKPPPBDK-LBPRGKRZSA-N	402.447	3.944	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1C(F)(F)F	743957972	GHAARDXHDBXYEQ-UHFFFAOYSA-N	406.404	3.853	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1	747590653	LYBPHRKBEOWDEV-UHFFFAOYSA-N	418.925	3.585	10	20	HHCD	
COc1ccc2c(C)c(CCC(=O)NCc3c(O)ccc4c3CCCC4)c(=O)oc2c1	743716832	MLAHRJCCSWWBCQ-UHFFFAOYSA-N	421.493	3.943	10	20	HHCD	
O=C(NCc1ccccc1O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	748350421	RIOUQTYZSONFFD-UHFFFAOYSA-N	416.886	3.776	10	20	HHCD	
Cc1cc(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1	749403347	UWWVDUALXVFUEO-GOSISDBHSA-N	401.507	3.958	10	20	HHCD	
O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1c(-c2ccccn2)nc2ccccn12	751308214	SNHJZUCHBODSPA-UHFFFAOYSA-N	412.428	3.902	10	20	HHCD	
C[C@H](Cn1cccn1)N[C@H](C)c1cc(Br)cc(Br)c1O	756673300	YLSZBBGCWUGFQL-NXEZZACHSA-N	403.118	3.853	10	20	HHCD	
C[C@@H]1CCN(CCN[C@H](C)c2cc(Br)cc(Br)c2O)C1	756630330	URMGQJFBXNAJLH-GHMZBOCLSA-N	406.162	3.910	10	20	HHCD	
C[C@H](NC(=O)Nc1cc2c(cc1Cl)OCO2)c1ccc(N2CCOCC2)cc1	920873204	ZSDINBAGRHXGDH-ZDUSSCGKSA-N	403.866	3.788	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1	752362910	PRWRAMHWLMFXCM-GDBMZVCRSA-N	417.447	3.830	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2cccc(OCCN3CCOCC3)c2)c2c(O)ccc(F)c21	756467301	UMURROBKFNVHGS-OXQOHEQNSA-N	400.494	3.580	10	20	HHCD	
COc1cc(N2CCN(Cc3csc(-c4ccco4)n3)CC2)cc(OC)c1OC	759872718	OANOCCSLRAKLCX-UHFFFAOYSA-N	415.515	3.751	10	20	HHCD	
C[C@H](NC(=O)N1CCc2c(F)cc(F)cc2C1)c1ccc(N2CCOCC2)cc1	765699565	XOZOTUXMSGXHFU-HNNXBMFYSA-N	401.457	3.630	10	20	HHCD	
CCc1c(C(=O)NCc2cccc(Br)c2O)cnn1-c1ccccc1	765732111	PPXIUMIASFTPME-UHFFFAOYSA-N	400.276	3.833	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCOC2(CCCCC2)C1	769033085	JIFCBKZZDOHBOZ-OAQYLSRUSA-N	415.578	3.576	10	20	HHCD	
CC[C@H](C)n1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C1CC1	760382196	MWIQVJKKZUEATA-HNNXBMFYSA-N	400.498	3.637	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c(C)n1-c1ccc(Br)cc1	768450201	SMCUKHADRLXRND-RKNYENMMSA-N	411.365	3.696	10	20	HHCD	
CN(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N=c2nc[nH]n2C)cc1	762357187	OLQWGKYDYAERIT-VKAVYKQESA-N	424.508	3.590	10	20	HHCD	
CCOc1ccc2c(c1)[C@H](NC(=O)NCc1cccc(Br)c1O)CCO2	764804340	IVNXEDGJRSZJTN-MRXNPFEDSA-N	421.291	3.876	10	20	HHCD	
CCCOCCOC(=O)c1ccnc(NCc2cccc(Br)c2O)c1	764935360	RXJSVYRTNGUQMS-UHFFFAOYSA-N	409.280	3.745	10	20	HHCD	
Cc1cc(Br)cc(CNC[C@@H](c2cccs2)N2CCN(C)CC2)c1O	775779816	HVCYAKOCGVCOET-KRWDZBQOSA-N	424.408	3.603	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN3C(=O)[C@H]4c5ccccc5CCN4C3=O)cc2F)C[C@@H](C)O1	777606007	ZCZXCONGOKJYIT-XCGNWRKASA-N	423.488	3.501	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	779344314	WBPGQZWAJPAMON-LPHOPBHVSA-N	416.566	3.514	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCCc3ccccc3)cc2Cl)C1	774458189	KZQCVZUOEJGPQD-QGZVFWFLSA-N	413.949	3.551	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3ccc(F)cc3Br)CC2)cc1	776816471	SDIRDMVQIHUUAM-UHFFFAOYSA-N	421.310	3.925	10	20	HHCD	
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc(O)c1O)CC2	776613712	MFNOSZZOCSTXBU-FQEVSTJZSA-N	411.479	3.964	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccc(COc3ccccc3)cc2)c1	775370389	MBQCNHVWQOLAGC-SFHVURJKSA-N	420.509	3.947	10	20	HHCD	
CC(C)N1C(=O)C[C@H](C(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1	776473282	IDFMIMUMAUXGLU-YWZLYKJASA-N	404.869	3.799	10	20	HHCD	
CCCc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nnn1-c1cccc(Cl)c1	773745668	PUIGIUXCODXUJQ-CYBMUJFWSA-N	414.893	3.645	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)NCC2(c3ccc(F)cc3)CCCC2)c1	775373135	NHJZXUOTSHNTPX-INIZCTEOSA-N	400.494	3.819	10	20	HHCD	
C[C@@H](NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	775261475	VHBQJGRYMVSXOH-IERDGZPVSA-N	408.464	3.796	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2noc(Cc3ccc(Br)cc3)n2)c1	775372451	BLJFGPLYHQVBDT-GFCCVEGCSA-N	418.291	3.988	10	20	HHCD	
Cc1cc(Br)cc(CN(C)[C@H]2CCN(Cc3ccccc3)C2=O)c1O	789593289	CTZXDJFCLXZZSO-SFHVURJKSA-N	403.320	3.696	10	20	HHCD	
CCSc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788937113	MUSVBWCNABFSJG-KRWDZBQOSA-N	411.571	3.892	10	20	HHCD	
CCCCCn1nc(C)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783315441	DSDJRVPXZNDGFJ-UHFFFAOYSA-N	413.566	3.823	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnnn1-c1cccc(F)c1	789983988	ZUIUPKJHYYLXID-UHFFFAOYSA-N	419.254	3.537	10	20	HHCD	
COc1ccc(N[C@@H](C)c2cccc(C(F)(F)F)c2O)cc1NS(C)(=O)=O	788717724	HLZUHBSHTJBQAS-JTQLQIEISA-N	404.410	3.964	10	20	HHCD	
COC[C@H](N[C@H](C)c1cc(Br)cc(Br)c1O)[C@@H]1CCCO1	788622730	HJBUIKHUVWFDDN-IIMNLJJBSA-N	423.145	3.762	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)C2CCCCC2)cc1	784062495	NRGLVZSHXFUENU-UHFFFAOYSA-N	417.513	3.818	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2	789381456	FJYCAQIYYRGKPY-AWEZNQCLSA-N	401.532	3.597	10	20	HHCD	
Cc1cc(C(=O)N2CC([C@@H]3CCOC3)C2)c(C)n1-c1ccccc1Br	792608285	LGIKYZLEJGQVNM-OAHLLOKOSA-N	403.320	3.965	10	20	HHCD	
COc1ccc(CNC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c(O)c1	794389382	MMSNQOAEGYQVJR-UHFFFAOYSA-N	412.515	3.513	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1coc(-c2ccccc2)n1	1332848993	TWHOEKZQZUBPPT-UHFFFAOYSA-N	411.845	3.708	10	20	HHCD	
COc1ccc([C@@H](C)NCc2ccc(N3CCN(C)CC3)c(F)c2)c(C)c1OC	1346913747	SBOMZPOWOOSTDA-QGZVFWFLSA-N	401.526	3.754	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)c3ccccc3F)CCC2)cc1)c1cc(O)nc(O)c1	1788427757	MWYCWOPMDHWLIF-UHFFFAOYSA-N	421.428	3.693	10	20	HHCD	
Cc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1	7192943	AVVUQVXPMYPNOA-JTQLQIEISA-N	409.492	3.741	10	20	HHCD	
CN(Cc1ccccc1O)C[C@H](O)COc1ccc(Cl)cc1Br	303402216	RWBPNWQOOOBAAM-AWEZNQCLSA-N	400.700	3.680	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1OC	140292478	DMTRSMBQYVIILW-KRWDZBQOSA-N	409.442	3.704	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CCCCC2(C)C)cc1	806874116	NZPRZGFGTMDUBO-NRFANRHFSA-N	411.546	3.959	10	20	HHCD	
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1cccc(Br)c1O)N(C)C	807406929	FHIHWAXIJQYJHI-RDTXWAMCSA-N	420.351	3.954	10	20	HHCD	
CN(C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1	805137240	FOVVKEYPEUJFFI-MRXNPFEDSA-N	400.281	3.940	10	20	HHCD	
Cc1nc(NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)sc1S(N)(=O)=O	801673990	YISBOGPRFHCLTD-NSHDSACASA-N	414.984	3.601	10	20	HHCD	
C[C@H](Sc1ccccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(N)=O	801083919	QYELVOQKCSNMHP-KRWDZBQOSA-N	411.571	3.915	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1O	808696033	STZWJKJZBLLZPR-LLVKDONJSA-N	414.877	3.566	10	20	HHCD	
CCNC(=O)c1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1	482997631	UROJPYKOBUOYBT-UHFFFAOYSA-N	407.514	3.584	10	20	HHCD	
Cc1cc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nc(N2CCCC2)n1	813857342	STBHAZCWTRVEPK-UHFFFAOYSA-N	422.577	3.717	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c1	811823472	UGQNEBVKMRIUTR-UHFFFAOYSA-N	402.497	3.635	10	20	HHCD	
CC(=O)N1CCC(N(Cc2cncs2)Cc2cc(Br)ccc2O)CC1	814179362	SHLABMDRVACMGD-UHFFFAOYSA-N	424.364	3.624	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(CC(=O)OC)c3)n2)s1	811823433	WYQQINQVAYAFCO-UHFFFAOYSA-N	422.553	3.950	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCOc2ccccc2C1	726720683	ZIZKVXNFWAITAB-UHFFFAOYSA-N	417.456	3.861	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCCOc3cccc(C(C)=O)c3)CC2)cc1	726561732	OFWHBRXYPDDFHC-UHFFFAOYSA-N	410.514	3.842	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1	728838993	DLQXYRLXQNMGET-LJQANCHMSA-N	423.410	3.976	10	20	HHCD	
CSc1nc(C)c(CCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c(O)n1	823671435	ORAWXEVSHCWPQP-UHFFFAOYSA-N	424.570	3.912	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1	729039687	QBFGHQAJKYWDHO-MRXNPFEDSA-N	415.559	3.875	10	20	HHCD	
CC(=O)Nc1cccc2c1CCN(Cc1c(O)ccc(C(=O)c3ccccc3)c1O)C2	728196302	OMDMAUQWCCQBOV-UHFFFAOYSA-N	416.477	3.846	10	20	HHCD	
C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)NC(=O)C1CCCC1	727102135	ICFQAORODOWKEX-GOSISDBHSA-N	411.546	3.959	10	20	HHCD	
O=C(NCCc1ccc(O)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	727228534	GAPHJNHTUBLSHA-UHFFFAOYSA-N	405.445	3.504	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc(=O)n(Cc2ccccc2Cl)c1	733971749	DURPTGFSNCPMEJ-UHFFFAOYSA-N	419.959	3.919	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C)n(-c2ccccn2)c1C	732083846	VUCKKRLJCSABPQ-NRFANRHFSA-N	405.498	3.736	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC(=O)N1CCc2ccccc21	732476654	RFYVZOSZJZHIHN-UHFFFAOYSA-N	408.546	3.654	10	20	HHCD	
COc1cc(Cl)ccc1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	730825693	VTASBMUUUSCVKG-OAHLLOKOSA-N	403.910	3.746	10	20	HHCD	
CN(CC[C@H]1CCCCN1C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905295	YUELHHYCJKVDST-ZWKOTPCHSA-N	424.536	3.773	10	20	HHCD	
O=C(c1ccnc(OCC(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	743339439	QBUAFQKABIZUCU-MRXNPFEDSA-N	410.392	3.550	10	20	HHCD	
Cc1ccc(CN2C[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC2=O)cc1	742483085	GWEIRMSZEJJQGY-JOCHJYFZSA-N	405.542	3.650	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)cc1	743891277	PBWCSVQVIWZNCC-UHFFFAOYSA-N	422.298	3.689	10	20	HHCD	
O=C(COCCc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799998	FCYDEWYUWMZUMR-GOSISDBHSA-N	404.457	3.632	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)COCc1ccc(OC)cc1	743809239	PXBKWLRHLQYWBW-UHFFFAOYSA-N	408.292	3.729	10	20	HHCD	
COCCc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1	914850973	RTHWSBZUGNATSC-UHFFFAOYSA-N	402.497	3.692	10	20	HHCD	
COc1ccc(N2CCCN(c3nc(C)nc4c3cnn4-c3ccccc3)CC2)cc1	917093653	DSROQBKCXHQLHL-UHFFFAOYSA-N	414.513	3.849	10	20	HHCD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	740750378	FNGCUBFYYPLGHP-HSZRJFAPSA-N	401.595	3.865	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cc1	742552675	DOTVAMLBPWQFTM-UHFFFAOYSA-N	400.910	3.646	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)OC[C@H]2CCCO2)c(C)n1-c1cccc(F)c1	921097531	GQOYOLSUDZKDHD-QFBILLFUSA-N	403.450	3.543	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCSc3ccccn3)cc2F)C[C@H](C)O1	755200744	OJRVLUBNYYZAOC-HOTGVXAUSA-N	403.523	3.633	10	20	HHCD	
C[C@H](NCCCn1ccnc1)c1cc(Br)cc(Br)c1O	756344953	VGNRFPIEQLRPPC-JTQLQIEISA-N	403.118	3.855	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])ccc21	754553354	VOSOVBLYCRFRJW-UHFFFAOYSA-N	408.316	3.901	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)o2)cc1)C1CCCCC1	751382364	OWFWANBZTXYKNJ-UHFFFAOYSA-N	404.532	3.523	10	20	HHCD	
COC(=O)CN(Cc1ccc(Oc2cnccn2)cc1)Cc1cc(Cl)ccc1O	769380392	VLVKSAHHNPUSHV-UHFFFAOYSA-N	413.861	3.803	10	20	HHCD	
Cc1nc(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sc1C	763592555	WLHNISRIPACKQG-KBPBESRZSA-N	420.554	3.555	10	20	HHCD	
Cc1cc(C)c2c(c1)[C@H](NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CCCO2	765979610	MNMVTHCBYFYZAI-JOCHJYFZSA-N	414.571	3.542	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(-c2ccccc2)cnc1C	760900497	DABYNZZQOGXQCJ-UHFFFAOYSA-N	402.498	3.686	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	765763605	FFNIYXBNKLDSGC-WDEREUQCSA-N	400.194	3.992	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C1(NC(=O)OC(C)(C)C)CC1	769295545	CWVVCVYZCPZZJR-UHFFFAOYSA-N	413.312	3.561	10	20	HHCD	
Cc1c([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)nnn1-c1ccc(F)cc1	765117454	DYNYDQUMVGCDEJ-HNNXBMFYSA-N	413.472	3.541	10	20	HHCD	
Cc1ccc(CS(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1F	768813933	AFTWQOHUFJLAHG-HOTGVXAUSA-N	424.513	3.506	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21	779534196	MGVVYTYTKIURJQ-LHPDUPQPSA-N	415.489	3.974	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H](c1ccccc1)C(F)(F)F	776857973	ZBQXCRHPRWNJBR-IBGZPJMESA-N	407.436	3.669	10	20	HHCD	
O=C1Nc2cc(Br)ccc2/C1=C/c1ccc(N2CCOCC2)c(F)c1	774556923	FLXYSJBYXYJNRY-DHDCSXOGSA-N	403.251	3.918	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3ccc(F)cc3Br)CC2)cc1	776787810	UMLNVHCDHGIKHX-UHFFFAOYSA-N	421.310	3.878	10	20	HHCD	
Cc1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C2CC2)n1	1116914107	SPWQWISGOKZSGJ-UHFFFAOYSA-N	402.445	3.663	10	20	HHCD	
CCOC(=O)C[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccc(OC)c1	773623571	VYJADMQPHHHOLD-KKSFZXQISA-N	413.518	3.816	10	20	HHCD	
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc(N(C)C)cc1	773986549	CATZSDHIPNKHCE-TZIWHRDSSA-N	423.557	3.638	10	20	HHCD	
CC1(C)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC(C)(C)O1	785873390	WKDWQZBZSGTKEB-UHFFFAOYSA-N	411.493	3.856	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3nc(-c4ccccc4F)no3)cs2)cc1	781210151	GVFURYPSLXASTL-UHFFFAOYSA-N	410.430	3.862	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2O)c1	788587267	HOISSEXNKVVPTC-NEPJUHHUSA-N	402.438	3.731	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	784267373	ZACHNCUXIUMAGE-QFBILLFUSA-N	424.463	3.633	10	20	HHCD	
Fc1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccc1N1CCOCC1	783595090	NCCYAJRSUNTVLY-MRXNPFEDSA-N	412.431	3.715	10	20	HHCD	
Cc1cc(C(=O)NCC2([S@](C)=O)CCC2)c(C)n1-c1ccc(Br)cc1	798103376	GZRWNJCUXXDIAS-VWLOTQADSA-N	423.376	3.888	10	20	HHCD	
CC(C)N(C)c1ccc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	790948959	NPDTVCGQRHJKLT-QZTJIDSGSA-N	400.542	3.969	10	20	HHCD	
CN(C)C(=O)Nc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	793502070	VIDCFIGGTLMDSX-UHFFFAOYSA-N	409.534	3.720	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2cnn(C)c2)c(C)n1-c1ccc(OC(F)F)cc1	12851522	ZMKLYELRTHZESU-CQSZACIVSA-N	417.412	3.857	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	15140882	WIOPTFDABCADSW-UHFFFAOYSA-N	403.504	3.625	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)COc3ccccc3C(F)(F)F)CC2)cc1	108432474	RGODPYXUGVVBSY-UHFFFAOYSA-N	408.420	3.832	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O	111134066	VJGWMITWYGSGTP-UHFFFAOYSA-N	421.541	3.793	10	20	HHCD	
C[C@H](c1cccc(O)c1)N(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	303382307	OCYXIBQWQSGVTK-OAHLLOKOSA-N	414.461	3.799	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1csc(C2CC2)n1	195748148	OAUFIOAIGHTYFM-UHFFFAOYSA-N	411.449	3.806	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CCNC(=O)c3ccco3)cc2Cl)C1	800049150	GKVIPAASGDTKDC-HNNXBMFYSA-N	403.910	3.606	10	20	HHCD	
CC[C@@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC)CCO1	802507492	IEMHIAYEAZYWHM-HXUWFJFHSA-N	409.534	3.614	10	20	HHCD	
Cc1nn(C)c(Sc2ccccc2)c1C(=O)N1CCOc2cc(N(C)C)ccc21	475943323	XYXYLBNHKPYASX-UHFFFAOYSA-N	408.527	3.985	10	20	HHCD	
FCCC[C@H]1CCC[C@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	800968747	UZCPIZNIRGRHOH-TZIWHRDSSA-N	415.532	3.950	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)c(C)n1-c1ccccn1	801157473	ZCPMLQKCHCFBOS-IBGZPJMESA-N	403.486	3.525	10	20	HHCD	
CSC1(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCN(C)CC1	811877220	IJEFIBSDEQYIIU-UHFFFAOYSA-N	404.624	3.550	10	20	HHCD	
COc1cc(OC)cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726566223	KQUKDNPJBROMJD-UHFFFAOYSA-N	406.429	3.704	10	20	HHCD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	727850721	HZTVQYOBJUZXFO-SFHLNBCPSA-N	400.567	3.546	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(C)[C@@H](C)CC(C)C)ccc21	728640529	XQIZHKWFGKVNNB-INIZCTEOSA-N	402.535	3.954	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	733100464	JZDDWNSYPKKHNJ-CABCVRRESA-N	406.885	3.960	10	20	HHCD	
C[C@@H]1CC[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@H](C)C1	733115069	SUOXKPMOQBBGMT-VFVRVIDISA-N	406.438	3.925	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(Cl)nc(N2CCCC2)c1	732956373	ZMFQBFHCXXRDBB-UHFFFAOYSA-N	416.978	3.818	10	20	HHCD	
C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)Cc1ccccc1O	732203253	RTTWWHWRMHNQFZ-OAHLLOKOSA-N	414.461	3.627	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1	738300324	VWPCUTWNOQIIDN-UHFFFAOYSA-N	412.490	3.871	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCc4ccccc43)cc2F)C[C@@H](C)O1	732451486	WNVSBAGQPAEICO-HLIPFELVSA-N	411.521	3.969	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COc3ccc(S(N)(=O)=O)cc3)c2C)c1	915795163	YXYSLBIRBMUUBM-UHFFFAOYSA-N	412.511	3.620	10	20	HHCD	
O=C(NCc1ncc(-c2ccccc2)o1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916626567	SGQLUMPJLBSZGO-IBGZPJMESA-N	407.470	3.938	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)cc1	918279254	PCDZSTVVNCMTCE-UHFFFAOYSA-N	407.445	3.939	10	20	HHCD	
CCN(CCCS(=O)(=O)c1ccccc1)Cc1cc(Br)ccc1O	743871026	MXAIDCAXIPCNPP-UHFFFAOYSA-N	412.349	3.841	10	20	HHCD	
Cc1ccc(CN2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CC2=O)cc1	914439471	ZLHVLAGDWOZPDN-NRFANRHFSA-N	405.542	3.601	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)Cn3cnc4ncccc4c3=O)c2C)c1	914685026	WTMGCZZBNXYGNU-UHFFFAOYSA-N	404.495	3.804	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2cc(Cl)ccc2[nH]1	919971150	RKSNXQNTYXODNF-UHFFFAOYSA-N	401.869	3.852	10	20	HHCD	
CCCCNC(=O)C1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1	916220853	FHWXNUVWMRPVEX-UHFFFAOYSA-N	424.589	3.975	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(NC(=O)C2CCC2)c1	740904539	GKXYMZJINXDILU-UHFFFAOYSA-N	404.514	3.801	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1cc(Cl)ccc1Cl	748392832	KGCHSMXLJDUQAV-UHFFFAOYSA-N	409.313	3.804	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3nccnc3NC(=O)C(C)(C)C)cc2)CC1	742648766	BLMSRRCBQMKQCC-UHFFFAOYSA-N	409.534	3.628	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2ccccc2F)on1	919968313	CFFPDCCUTQWGOL-UHFFFAOYSA-N	409.461	3.619	10	20	HHCD	
Cc1cccc(N2C[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC2=O)c1C	742476125	KQMNCLSXISIVFS-OAQYLSRUSA-N	405.542	3.963	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)N(C)Cc3ccc(N(C)C)cc3)n2)c1	743703160	IMZCVUVFDMWQEL-OAHLLOKOSA-N	409.490	3.714	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCSc3ccccn3)cc2F)C[C@@H](C)O1	755200746	OJRVLUBNYYZAOC-IYBDPMFKSA-N	403.523	3.633	10	20	HHCD	
COc1c(F)ccc(F)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755358539	PPFJXUFBMCVABY-LBPRGKRZSA-N	412.383	3.974	10	20	HHCD	
Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1	756684857	BNLHUKWLDJSUGF-SFHVURJKSA-N	409.509	3.924	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1nc(-c2ccco2)cs1	756860732	NCEDLIGHIWIESY-MRXNPFEDSA-N	413.499	3.728	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(Br)ccc3C)CC2)cc1F	753730464	JANJMQVFAKFHEW-UHFFFAOYSA-N	407.283	3.868	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cnccc1-c1cccc(F)c1	753561093	YMEVGIJGGXWNAZ-UHFFFAOYSA-N	416.456	3.519	10	20	HHCD	
COC(=O)c1cc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)ccc1Cl	753877296	SVLCJAIEYZOUMV-UHFFFAOYSA-N	421.856	3.628	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc4cc(C)ccc4o3)CC2)cc(OC)c1OC	759239479	MDPHXQJUGPHBJM-UHFFFAOYSA-N	410.470	3.729	10	20	HHCD	
COc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n[nH]2)cc1OC	751339471	FVQQJPUXTMDROI-UHFFFAOYSA-N	420.513	3.965	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(COC3CCOCC3)cc2)c1	752207928	XBCMLMKJBFGBRO-INIZCTEOSA-N	414.502	3.657	10	20	HHCD	
CC[C@H](C)n1ncc2c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(C)nc21	751048292	DUBJYUFQWIPZGW-KRWDZBQOSA-N	407.518	3.682	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Br)cn1	754553957	ZWZYDKMRPUPBQC-UHFFFAOYSA-N	407.223	3.872	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1	756774035	DXNWHPLFEABHEK-SZFUDVHCSA-N	418.921	3.555	10	20	HHCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	758559317	SKUBUIXVHMZWSX-VIFPVBQESA-N	420.393	3.684	10	20	HHCD	
CC(C)Oc1ccc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	766041798	MTHAMPWFFKQISN-GAJHUEQPSA-N	402.510	3.834	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](C)[S@@](=O)CC2)c(C)n1-c1cccc(Br)c1	760645145	QRORKRNUFUMDAW-SXBQZSJRSA-N	423.376	3.840	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NCC1(c2ccccc2)CCOCC1	764761645	CGIPVKOIVLHUOM-UHFFFAOYSA-N	419.319	3.702	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc(F)ccc1Cl	768011634	CUIAWAYRTATXBD-UHFFFAOYSA-N	423.941	3.812	10	20	HHCD	
CCSc1cccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)c1	769723863	PSQCCGCTKHGNGS-VKAVYKQESA-N	408.614	3.722	10	20	HHCD	
Oc1ccc(Cl)cc1CNCc1ccc(Br)cc1N1CCOCC1	769928410	OSRRNOKIYDXGQJ-UHFFFAOYSA-N	411.727	3.935	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc([C@H]4CN5CCCC[C@H]5CO4)no3)ccc21	762401552	MZWAYYQEFRSBSB-GHTZIAJQSA-N	410.518	3.880	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3c(F)cccc3F)cc2F)CC1	763573938	XLORDDHDLMUXHQ-HNNXBMFYSA-N	405.464	3.666	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1	772798254	YNHSOGHVKKWTRE-ALCCZGGFSA-N	423.387	3.832	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c1O	774847373	YOZJWUNJUHGYRL-UHFFFAOYSA-N	406.385	3.682	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccc(N(C)C)cc1	773845893	KMZQPTYUILZDPO-LLVKDONJSA-N	420.391	3.729	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@H](CN2CCCC2)C1	775713066	GCMOOSDYAZYDKA-GFCCVEGCSA-N	418.173	3.835	10	20	HHCD	
COc1cccc(OC)c1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	772351224	XLYURIHMVIEMHZ-UHFFFAOYSA-N	404.532	3.515	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cnccc1-c1cccc(F)c1)c1ccc(N(C)C)cc1	773848330	VONVORDVRLWPEN-OAHLLOKOSA-N	406.461	3.770	10	20	HHCD	
CCC(CC)[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCO1	778753260	ORJZWYOHBQLKBY-IFMALSPDSA-N	403.567	3.648	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NC[C@@H](O)COc2ccccc2Br)cc1	773049157	ATDDWPSRDAVDSY-MAUKXSAKSA-N	407.352	3.996	10	20	HHCD	
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1	775205531	LEOLTSDRPRMOMV-GOSISDBHSA-N	409.530	3.970	10	20	HHCD	
COc1cc(NCCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc(OC)c1	773090136	CABZXFBKNVRCLM-INIZCTEOSA-N	419.953	3.957	10	20	HHCD	
CC1(NC(=O)NCCCSc2nccs2)CCN(C(=O)OC(C)(C)C)CC1	779629802	AMRKXVZKMMGRMK-UHFFFAOYSA-N	414.597	3.714	10	20	HHCD	
COC1(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCCCC1	773238768	WWALQYWNMULRPN-IRXDYDNUSA-N	407.530	3.588	10	20	HHCD	
C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	774536842	IXYFHGBAGDGUDN-SFHVURJKSA-N	406.482	3.652	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2F)CC1	782836969	STHWCFHZCFZHQJ-UHFFFAOYSA-N	415.469	3.506	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	783317632	XYYHTTKQQGMLSN-UHFFFAOYSA-N	418.881	3.690	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	782548126	WLRYWFCPOGGPMJ-ROUUACIJSA-N	407.530	3.588	10	20	HHCD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)c1	785298610	WTGPLJGPEXZOCE-LSDHHAIUSA-N	416.543	3.983	10	20	HHCD	
Cc1cc(C(=O)NCCc2csc(O)n2)c(C)n1-c1cccc(Br)c1	789942950	UKYZBIROISSFKY-UHFFFAOYSA-N	420.332	3.991	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3cc(F)c(OC(C)C)c(F)c3)CC2)cc1	783884822	MYTSUAXSKQMWII-UHFFFAOYSA-N	419.472	3.521	10	20	HHCD	
Cc1cc(C(=O)N2CCSCC2)ccc1NCc1ccc(N2CCN(C)CC2)cc1	789890551	OMNVTRJKZLIBCP-UHFFFAOYSA-N	424.614	3.548	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)n2)cc1)C1CCCCC1	792971059	ZDYQPJMUKKAWLE-UHFFFAOYSA-N	400.910	3.759	10	20	HHCD	
Cn1cc([C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)c2ccccc2)cn1	1320063522	ADACDACPPHXTFO-QFIPXVFZSA-N	421.570	3.562	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(N3CCOC3=O)cc2)cc1	109702433	FUOZQQMMBCLATC-QFIPXVFZSA-N	423.513	3.531	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)c1	116431736	AAMAWSDJGIXVKB-UHFFFAOYSA-N	411.527	3.704	10	20	HHCD	
CSc1nc2ncnc(NCc3ccc(N4CCC(CO)CC4)cc3)c2s1	301149231	NVFFCBYYJNCOCI-UHFFFAOYSA-N	401.561	3.629	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2cncc(-c3ccccc3)n2)CC1	480833800	ZSMSDDGPIYEGNM-UHFFFAOYSA-N	410.477	3.966	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cc4ccccc4n(C)c3=O)ccc21	553630293	OCOGFNHRVCGJLL-UHFFFAOYSA-N	417.509	3.686	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3ccc(Br)cc3)CC2)cc1	726562407	MANDJTZKXJMHTJ-UHFFFAOYSA-N	403.320	3.785	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1NC(C)=O	727250148	HSQLBWSQQBWSMJ-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
CC[C@](C)(NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	730905040	WMKHGCAIDRJLLD-DVECYGJZSA-N	408.546	3.513	10	20	HHCD	
CN(C)CCOc1ccc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	733334152	CACPYZICMRWSHZ-NRFANRHFSA-N	417.981	3.740	10	20	HHCD	
COc1ccc(C(=O)C2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)cc1	734686967	ZIKJLRBWDBRZKG-UHFFFAOYSA-N	409.530	3.874	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCN3C(=O)CCc4ccccc43)cc2)CC1	737843450	DMCJGTIWVXFLKD-UHFFFAOYSA-N	405.542	3.909	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccccc3OCC3CC3)CC2)cc1	740063218	UDQDBTHKDWBLER-UHFFFAOYSA-N	409.530	3.906	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	741435390	RWTURGSJDJBEEN-CVDCTZTESA-N	411.546	3.603	10	20	HHCD	
Cc1nnc(-c2cccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2)o1	742246309	UZZFAMNXBYLKGU-GASCZTMLSA-N	424.476	3.728	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc([N+](=O)[O-])c1	742805145	HAGTXZPAQWGBKR-OAHLLOKOSA-N	405.401	3.903	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccccc2NS(=O)(=O)CC)cc1	743749436	CRDXHJRSNUBLGD-UHFFFAOYSA-N	403.548	3.567	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)c1	745241913	FWUVGMKPTSRCJQ-UHFFFAOYSA-N	418.453	3.780	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(N2CCOCC2)cc1	745779648	PPCIZTFSLYKTDK-OALUTQOASA-N	419.529	3.830	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)cc1F	745812146	PAUWCLBRVRCFDP-UHFFFAOYSA-N	422.508	3.656	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)C2CC2)cc1	751228352	QETWKHNMZUXMLR-UHFFFAOYSA-N	405.473	3.847	10	20	HHCD	
CN(C)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1	752017401	YNDFVDBDFVDNDF-AWEZNQCLSA-N	407.436	3.892	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](c3ccccc3)c3ccc(F)cn3)cc2)C1	753624459	JPQRSKRWAOROOI-RDPSFJRHSA-N	418.516	3.802	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1	753636253	LKSYHVVNFCVIFL-GFCCVEGCSA-N	412.877	3.570	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CO[C@H]2CCOC2)c(C)n1-c1cccc(Br)c1	753787224	QVMKTVRDSTYTMM-UGSOOPFHSA-N	421.335	3.780	10	20	HHCD	
C[C@@](O)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(C(F)(F)F)c1	754839275	UEXYWYNKMYWWQM-FQEVSTJZSA-N	424.488	3.783	10	20	HHCD	
C[C@H](N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1cc(Br)cc(F)c1O	756658218	HVLPBNDWDLAYCK-VUCTXSBTSA-N	401.320	3.588	10	20	HHCD	
C[C@@H]1C[C@@H](NCCNC(=O)c2cccc(Br)c2)c2c(O)ccc(F)c21	756706964	SMUOVJJUGFKYFL-IAQYHMDHSA-N	407.283	3.862	10	20	HHCD	
CN(CCCNC(=O)C1CCC1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	758528019	IZOJDOXROWXDST-UHFFFAOYSA-N	414.594	3.903	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1ccc(C(=O)NCC(F)(F)F)cc1	758533069	SWANVDKOFPUQBU-UHFFFAOYSA-N	418.466	3.739	10	20	HHCD	
Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCCCSc1nccs1	759575743	SQSIKSUXXCZCBV-UHFFFAOYSA-N	412.968	3.915	10	20	HHCD	
CCOc1cccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)n1	763110325	ZIBCLIRMDCICLA-GHRIWEEISA-N	400.525	3.933	10	20	HHCD	
CCOCCCN1CC[C@H](NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)[C@@H](C)C1	765125458	FJTOUJWRDDWZDI-GJPOJAMWSA-N	421.601	3.666	10	20	HHCD	
CCCNc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	765462970	CTGHUMUDHZASPY-UHFFFAOYSA-N	414.525	3.608	10	20	HHCD	
COc1cc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	766936319	ZDSQETHJYRENEP-AWEZNQCLSA-N	409.483	3.695	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](O)c2cccc(OCc3ccccc3)c2)c1O	775031357	AKFZYWYBMMCTSQ-OAQYLSRUSA-N	424.453	3.711	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)c1ccc(N(C)C)cc1	775693210	QWXKBCXCAYMCFJ-OAHLLOKOSA-N	409.490	3.613	10	20	HHCD	
COc1cc(O)c(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1OC	776056462	QBMTYZYRXHRBKO-AWEZNQCLSA-N	421.335	3.788	10	20	HHCD	
COc1ccc(O)c(CNC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1	776174237	FUGQPQCUTDLZOO-FQEVSTJZSA-N	404.938	3.996	10	20	HHCD	
CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	776885269	VMARDJSBHCRHJQ-HOTGVXAUSA-N	401.482	3.809	10	20	HHCD	
O=C1CCc2cc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)c(F)cc2N1	777000662	QVUADXBSVJZZNA-UHFFFAOYSA-N	401.401	3.672	10	20	HHCD	
O=C(CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)Nc1ccccc1	783459924	YYMDHFUDFWMHDN-UHFFFAOYSA-N	401.426	3.795	10	20	HHCD	
Cc1ccc(-n2cc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cn2)c(C)c1	786202088	MBRICEAYCHFHEH-UHFFFAOYSA-N	423.492	3.787	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3occc3-c3ccccc3)cc2)CC1	787319668	NVEWISQMVHNHAN-UHFFFAOYSA-N	403.482	3.545	10	20	HHCD	
COc1ccc(CNCc2sc(N3CCOCC3)nc2-c2ccccc2)c(O)c1	793388112	MFWXKWRZGDFYLR-UHFFFAOYSA-N	411.527	3.651	10	20	HHCD	
Cc1c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc(F)cc2)cnn1C	794044237	YPIMAJMRZCILQG-UHFFFAOYSA-N	407.854	3.553	10	20	HHCD	
COC(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	800720831	WDWABINCASAAPR-HNNXBMFYSA-N	407.942	3.671	10	20	HHCD	
Cc1cc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C)c(C)n1-c1ccccc1	800742465	OYXYOJRDRDXCJU-UHFFFAOYSA-N	409.925	3.913	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O	802237637	IDOBPMYUDINDMF-SFHVURJKSA-N	411.502	3.518	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1nc(C)cs1	804883495	XRIFFUBFYJMGOF-SFHVURJKSA-N	402.564	3.522	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)c2nncn2C)c(C)n1-c1ccc(Br)cc1	805386063	GEZONOJSIOIFEJ-CYBMUJFWSA-N	403.280	3.903	10	20	HHCD	
C[C@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1	806962245	CNYDSOKTUUPYIK-AZUAARDMSA-N	411.546	3.959	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1	807191244	DIRDEIZWFXHAJS-NZQKXSOJSA-N	424.541	3.723	10	20	HHCD	
COCCOCCN(C)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	809221051	NATDKZPUYJTQBR-UHFFFAOYSA-N	409.324	3.592	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)ccc1O	811704939	LVZTVBLJDVSVMN-UHFFFAOYSA-N	405.394	3.859	10	20	HHCD	
CN(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cn1	811822247	CORVKKGONBFQQE-UHFFFAOYSA-N	412.899	3.864	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@](CO)(Cc2ccccc2)C1	813037517	UZZCXGYUUCOBHX-RUZDIDTESA-N	407.558	3.814	10	20	HHCD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	815860220	BECRZCXFYKMLEL-PXNSSMCTSA-N	405.498	3.722	10	20	HHCD	
Oc1c(CNc2ccc3nc(CCN4CCOCC4)[nH]c3c2)ccc2ccccc12	816563841	LETIKEUPSJGSCY-UHFFFAOYSA-N	402.498	3.909	10	20	HHCD	
O=C(CCOc1ccc(F)cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857473231	UTMVTOKZRDRCPT-GOSISDBHSA-N	406.885	3.734	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-n4cncn4)cc3)SC2=S)cc1	884109274	AJCRSAJBKNUNEI-WOJGMQOQSA-N	407.524	3.739	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C2CC2)cc1	914724837	ZUHOTOJMNWWDSJ-QFIPXVFZSA-N	419.569	3.725	10	20	HHCD	
CCCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1	915141357	ZKUPHYPVRUJPLM-UHFFFAOYSA-N	402.560	3.989	10	20	HHCD	
CCc1ccccc1OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	917711383	GDVRBBOQVXWFJB-IAGOWNOFSA-N	400.494	3.697	10	20	HHCD	
COc1ccccc1N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	917776881	MYXTUWHNUPQYSB-UHFFFAOYSA-N	416.389	3.655	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CCc4cc(C)ccc43)CC2)cc1	919920243	OFULZHFIDCJYTG-XMMPIXPASA-N	422.573	3.502	10	20	HHCD	
CCOc1ccc(N2CCN([C@@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)CC2)cc1	1324213235	JYIMAJWAMMTAOA-FDDCHVKYSA-N	411.521	3.709	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCSc1cccc(Cl)c1	1330138442	VZLVUKOJEPNXMD-INIZCTEOSA-N	423.918	3.524	10	20	HHCD	
Fc1ccccc1-c1nnc2ccc(NCc3ccc(N4CCOCC4)c(F)c3)nn12	301072072	FXJWFENXBKMPNJ-UHFFFAOYSA-N	422.439	3.518	10	20	HHCD	
O=C(NCc1ccccc1)c1cc(NCc2ccc(N3CCOCC3)c(F)c2)ccn1	301256364	TXMPTDMWZZHDBF-UHFFFAOYSA-N	420.488	3.599	10	20	HHCD	
CC1CCN(C(=O)c2ccc(NCc3ccc(N4CCC(CO)CC4)cc3)nc2)CC1	301259895	UWQUCPWBFHNVNN-UHFFFAOYSA-N	422.573	3.775	10	20	HHCD	
CCCO[C@H]1CCCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	303304233	DGVQHOJQJZBOTB-KRWDZBQOSA-N	420.509	3.682	10	20	HHCD	
Cc1ccccc1-n1ccnc1SCC(=O)N1CCOc2cc(N(C)C)ccc21	437009024	YRWZFBVCVFLJOQ-UHFFFAOYSA-N	408.527	3.764	10	20	HHCD	
Cc1ccnc(-c2cccc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)c2)n1	472782623	CIVDIBLCIXGONK-UHFFFAOYSA-N	413.481	3.507	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1	725775530	NGIUIEKJZUFZRC-UHFFFAOYSA-N	407.514	3.835	10	20	HHCD	
O=[N+]([O-])c1ccc(O)c(CNC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1	725852806	IKLLNSXVOXVELJ-UHFFFAOYSA-N	408.458	3.710	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(Br)c1	727224221	KKPXCQGNABKHOY-UHFFFAOYSA-N	420.307	3.616	10	20	HHCD	
COc1ncnc(OC)c1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	729873865	BIESWGBGAACBTB-UHFFFAOYSA-N	421.413	3.705	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c(C)n1-c1ccccn1	731645109	NCSUWOFESCDIOA-NRFANRHFSA-N	403.482	3.837	10	20	HHCD	
Cc1ccc(C2(C(=O)NCc3ccc(N4CCSCC4)cc3)CCOCC2)cc1	732059263	YVPHLKNDVBBZQZ-UHFFFAOYSA-N	410.583	3.913	10	20	HHCD	
CCN(C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H](C)CS(=O)(=O)CC	733120542	GNZBVZJGEFNGGD-INIZCTEOSA-N	424.994	3.962	10	20	HHCD	
Cc1cc(C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1	733276295	RWGHIJBYAQBXET-CQSZACIVSA-N	408.951	3.785	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	734675941	LYMRBLGAUWPPPL-UNMCSNQZSA-N	409.530	3.752	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4ccccc4CC3)cc2F)C[C@@H](C)O1	734942941	TTZGCFPIWFLJKN-QZTJIDSGSA-N	411.521	3.750	10	20	HHCD	
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	741090945	RRTZPOVLMDPKQZ-FQEVSTJZSA-N	414.550	3.604	10	20	HHCD	
CCCNC(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	741210372	XBQCFFGWLHOELH-HSZRJFAPSA-N	423.557	3.714	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1	741435392	RWTURGSJDJBEEN-WMZHIEFXSA-N	411.546	3.603	10	20	HHCD	
O=C(Cc1cccc([N+](=O)[O-])c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	741924128	DPEXAXNNDOEWPF-UHFFFAOYSA-N	405.401	3.524	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](c1cccc(F)c1)N1CCOCC1	742056806	DZENAUZZVNWDRQ-HSZRJFAPSA-N	411.521	3.506	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)COC2CCCCC2)NC(=O)OC(C)(C)C)cc1	742753980	MYZJFKFHUNYLCN-HXUWFJFHSA-N	419.566	3.784	10	20	HHCD	
Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1NS(C)(=O)=O	743150642	FKIHKTCZMZSPCC-UHFFFAOYSA-N	416.547	3.629	10	20	HHCD	
O=C(COc1ccccc1OCC(F)(F)F)NCc1c(O)ccc2c1CCCC2	743719653	NGTPSICIJLAMTB-UHFFFAOYSA-N	409.404	3.907	10	20	HHCD	
C[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)CN1CCCCC1	745681783	VTKZGSUTHJPZQA-MSOLQXFVSA-N	424.536	3.678	10	20	HHCD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	747810612	YSQKZZJEMHPULJ-QHCPKHFHSA-N	419.566	3.675	10	20	HHCD	
COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1	747859519	AJRVGVJXMCDPSA-UHFFFAOYSA-N	418.515	3.663	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)o1	748091846	NAENPLAPRFINLG-UHFFFAOYSA-N	414.411	3.659	10	20	HHCD	
C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751301937	GULWYBRRFXMOHP-MRXNPFEDSA-N	415.453	3.650	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCCCOc3ccc4c(c3)OCO4)cs2)cc1	751937481	OTGPRIUYAOWXOH-UHFFFAOYSA-N	412.467	3.671	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)c1	754192423	RPAXQSNEEJHDRK-LBPRGKRZSA-N	410.392	3.712	10	20	HHCD	
C[C@@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc(Br)cc(F)c1O	756890277	BHTMWQHIJRCATO-SNVBAGLBSA-N	422.254	3.865	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)CN(C)c3ccc(OC)c(Cl)c3)cc2)CC1	757857454	UBPGCSBBOYVJIK-UHFFFAOYSA-N	416.953	3.565	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)NCCCSc1nccs1)c1cccc(F)c1	759551934	IUPXWZIVKUHWMU-OAHLLOKOSA-N	405.524	3.587	10	20	HHCD	
CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)cc21	760303484	DTOFZRAJCPCRSV-UHFFFAOYSA-N	417.487	3.980	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3COc4ccc(Cl)cc43)CC2)cc1	762061762	RPCLUPNNERZACP-LJQANCHMSA-N	401.894	3.704	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(-n2ccnc2S)cc1	765771230	WFZHDDNJFLHLNK-UHFFFAOYSA-N	404.289	3.559	10	20	HHCD	
O=C(NC1CC1)c1ccc(CN(Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)cc1	768422770	DXQHAZGOKOQNPD-UHFFFAOYSA-N	423.532	3.719	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(C)nc3Br)CC2)cc1	771500905	FDKATKWKKFSYNL-UHFFFAOYSA-N	419.323	3.952	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1noc(-c2ccc(Cl)cc2)n1	771844370	UBZKBGMAYQJNTI-INIZCTEOSA-N	411.937	3.993	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccnc(O)c1Br	772149472	NJGFRPVDVHPOFI-UHFFFAOYSA-N	406.324	3.595	10	20	HHCD	
C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1ccc(N(C)C)cc1	773018055	GVBUFRGALBTWMV-GFCCVEGCSA-N	424.364	3.526	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	773343505	ZENSHSXWAKUMNL-LSDHHAIUSA-N	409.490	3.933	10	20	HHCD	
COC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)c(F)c1	774370590	MMJKQRXEUCUJPD-YLJYHZDGSA-N	420.456	3.749	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1O	775030374	RGZZRYYTMXHIPE-LJQANCHMSA-N	421.453	3.649	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1N1CCCCC1	775143656	AMCBCCVZOUEIKC-YJBOKZPZSA-N	401.429	3.720	10	20	HHCD	
Oc1c(F)cc(Cl)cc1CN1CCN(Cc2nc(-c3cccs3)no2)CC1	775646497	YWCSJNWHIQZVPG-UHFFFAOYSA-N	408.886	3.614	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1ccc(N(C)C)cc1	775646507	HYFUGEQPAVTPAX-CYBMUJFWSA-N	409.469	3.628	10	20	HHCD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	775766718	RPPKRIRSGJQUBM-MRXNPFEDSA-N	417.529	3.912	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccc(N(C)C)cc1	775834420	OBMQXYVSZLRZHJ-GFCCVEGCSA-N	405.424	3.937	10	20	HHCD	
COc1ccc(O)c(CNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1	776153842	GOIVRFHCEFKCSK-LJQANCHMSA-N	410.436	3.583	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@@H](c2nccn2C)C2CC2)NC(=O)OC(C)(C)C)cc1	776492029	HFJYCJVNIYBOBZ-VQTJNVASSA-N	413.566	3.793	10	20	HHCD	
COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cc(Br)cc(C)c2O)C1=O	779036118	LOKIQYXXNHPCIS-XJKSGUPXSA-N	419.319	3.928	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	782648432	IQKAVSAGOPPOOO-ROUUACIJSA-N	404.555	3.730	10	20	HHCD	
O=C(Nc1ccc(-c2ncon2)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1	782895609	AXYGYZDUGWXWFQ-UHFFFAOYSA-N	420.469	3.742	10	20	HHCD	
CCN(c1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1)C(C)C	786655106	DDERMXYCEXUVAL-UHFFFAOYSA-N	422.573	3.520	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(F)c(N4C(=O)CNC4=O)c3)c2C)c1	794303188	YXINZROQIMVFTO-UHFFFAOYSA-N	420.444	3.850	10	20	HHCD	
Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	796669226	DKDSDZUFBNGXFY-UHFFFAOYSA-N	414.509	3.912	10	20	HHCD	
COCCO[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	801062362	WSCVTQHUCATGDT-IEBWSBKVSA-N	423.985	3.913	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl	801549079	DMTPIHZNABXNCC-UHFFFAOYSA-N	424.950	3.738	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCNC(=O)c1ccc(Cl)cc1	801973604	GRLRINUWBLKBQK-UHFFFAOYSA-N	403.910	3.787	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2ccccc2SCc2csc(C)n2)C[C@H](C)S1(=O)=O	805398406	JGVHUTVEBGHVID-XJKSGUPXSA-N	424.613	3.782	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C(F)(F)F)[C@H](CO)C3)cc2)CC1	806766151	NOKIDMIXXAWXAP-PKOBYXMFSA-N	413.484	3.625	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(N2CCCCC2)cc1	807513418	NHDJOKYEWPQORL-UHFFFAOYSA-N	422.312	3.944	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@H](n4cc(Cl)cn4)C3)cc2)CC1	811877566	POPYSYYNEJRJLY-FQEVSTJZSA-N	401.942	3.929	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](O)c2ccc(Cl)cc2)cc1	813430642	PKOWQHKKIRUPKN-RTWAWAEBSA-N	402.922	3.647	10	20	HHCD	
COc1cc(C[C@H](CO)CN[C@@H](C)c2cccc(C(F)(F)F)c2O)cc(OC)c1	815585728	QOCUNXPFHRPBHN-ZFWWWQNUSA-N	413.436	3.930	10	20	HHCD	
Cn1nc(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21	857458609	YHFVTJWUCQQYJW-OAHLLOKOSA-N	414.456	3.502	10	20	HHCD	
O=C(COc1cccc(Cl)c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472804	ODNLMCDMHMQHNI-KRWDZBQOSA-N	409.313	3.859	10	20	HHCD	
COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(OC)c(C)c3)n2)c1	915184937	NSJHDFVVPPPRQD-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(F)c3)n2)cc1	915290392	YLKFQYHWUBBEIT-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CCOc1cc(NC(=O)NCc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OCC	915333607	XHQALROALNTGDP-UHFFFAOYSA-N	402.451	3.780	10	20	HHCD	
C[C@H](Cc1ccccc1Cl)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	916643578	KYWDPRRTQKPWDE-QGZVFWFLSA-N	401.938	3.949	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)Nc3ccc(N4CCCC4)cc3C)CC2)cc1	917211176	XETTZOWNMDFMIX-UHFFFAOYSA-N	422.573	3.755	10	20	HHCD	
CCCc1sc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1CC	917832224	OJHBPAKYHUZFJC-SFHVURJKSA-N	413.587	3.895	10	20	HHCD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1	918082075	YSABIIICAMPFNV-KDOFPFPSSA-N	401.482	3.503	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3cccc4c3COC4=O)sc2C)cc1	918741062	CRZQPBNBFYBGHZ-UHFFFAOYSA-N	400.481	3.898	10	20	HHCD	
COC(=O)CCc1nc(COC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)no1	1116057224	YBRHOWYHMOEJFM-UHFFFAOYSA-N	417.849	3.593	10	20	HHCD	
C[C@@H]1CCCCN1C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1116442995	AYVIMJZMMYRRGS-IRLDBZIGSA-N	402.602	3.664	10	20	HHCD	
O=C(COC(=O)c1ccccc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O	11026778	YWYOUXJPOYAJMN-UHFFFAOYSA-N	419.820	3.911	10	20	HHCD	
COc1cc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)cc(OC)c1	54035224	QIIFGECGYRPBRP-UHFFFAOYSA-N	400.544	3.506	10	20	HHCD	
Cc1ccccc1-n1ccnc1SCC(=O)NCc1ccc2c(c1)CCCN2C	116167072	UIRKSHVEJFYAKM-UHFFFAOYSA-N	406.555	3.972	10	20	HHCD	
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	303836362	PMPGJNNXWBMPQW-UHFFFAOYSA-N	415.559	3.782	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1F	303878885	IUGMVDZCUGDAFW-UHFFFAOYSA-N	402.857	3.844	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O	437016610	IHVMYWBLXBMEMY-GOSISDBHSA-N	417.918	3.635	10	20	HHCD	
CCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ncc(C(=O)OC)s1	462073589	XQLHEEHXKIUJOI-UHFFFAOYSA-N	415.515	3.814	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(c4nccs4)CC3)ccc21	500725348	LPFGVWUUAWBOET-UHFFFAOYSA-N	412.559	3.760	10	20	HHCD	
Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1cccc2nsnc12	542236480	HHWJQWSLLPAYEF-UHFFFAOYSA-N	413.484	3.728	10	20	HHCD	
COc1c(Cl)cc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1Cl	726294251	UAZJTEHSAQHZIJ-UHFFFAOYSA-N	422.312	3.639	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(O)c1O	727004317	SHQIOIVHKFEXMD-FQEVSTJZSA-N	405.450	3.663	10	20	HHCD	
NC(=O)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	727232131	XNRCPPKJGCGBCI-MRXNPFEDSA-N	407.474	3.545	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2	727245746	CQRMPENYPZUTTC-UHFFFAOYSA-N	417.468	3.974	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3c(-c4cccnc4)noc3=O)c2C)cc1F	728160614	FIUFEJXCLRIHFC-UHFFFAOYSA-N	406.417	3.636	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3cccc(C(=O)N(C)C)c3)ccc21	728637728	FOTZAYDUBSWRQF-UHFFFAOYSA-N	408.498	3.963	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c1	729061551	HOUUUPVPFDOXJK-ZDUSSCGKSA-N	420.893	3.905	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(N3CCCC3=O)CC2)c(C)n1-c1ccc(Cl)cc1	729444261	HBDHZXJCZMMKKG-UHFFFAOYSA-N	413.949	3.903	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CCCC1	731030847	UJCQITVWGXYEDV-ROUUACIJSA-N	405.558	3.709	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1	731059174	ZAYZETZKMIXXSL-UHFFFAOYSA-N	415.496	3.504	10	20	HHCD	
CC[C@H](OC1CCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	733097372	JFOALNXQUFERRT-IBGZPJMESA-N	414.468	3.896	10	20	HHCD	
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCc1ccc(N(C)C)cc1C	734652478	WFLOLDDTRJWVLG-UHFFFAOYSA-N	410.518	3.627	10	20	HHCD	
O=C(C1CCN(Cc2ccccc2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735516929	BKYUHWQQCDJYRS-QHCPKHFHSA-N	408.542	3.812	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c(C)n1-c1cccc(Cl)c1	736231130	KAOJSWLQNGVISQ-GOSISDBHSA-N	415.965	3.978	10	20	HHCD	
O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1	741136313	PZJPPPPLYMWFHK-UHFFFAOYSA-N	413.543	3.760	10	20	HHCD	
COCCOC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	742091668	YAEIEZRXOGVHCS-ZDUSSCGKSA-N	409.324	3.638	10	20	HHCD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801908	UIFAQWBUBWYNSY-YOEHRIQHSA-N	420.504	3.602	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(F)c(Br)c1	743344031	OUMDICXIFFXLOD-UHFFFAOYSA-N	415.328	3.865	10	20	HHCD	
C[C@@H]1CN(CCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)C[C@@H](C)O1	745425507	UAFRLZGGJITPCY-RTBURBONSA-N	403.567	3.736	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)[C@@H](C)Cc3ccccc3OC)CC2)cc1	745801104	VUADAFDVMCCXPT-SFHVURJKSA-N	411.546	3.945	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O	745881694	KYSLZSYDULYZJW-AVRDEDQJSA-N	408.546	3.867	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)cc1	746677141	RMGPQVBVNGIVCF-UHFFFAOYSA-N	403.548	3.741	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3c(Cl)cccc3Cl)CC2)cc1	747371264	XZGVGAIRCXJTLL-UHFFFAOYSA-N	408.329	3.554	10	20	HHCD	
COc1ccc(N2CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1F	753862282	WSJXIVGRTLIOBM-UHFFFAOYSA-N	407.530	3.603	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(Br)c(F)cc1O	757640657	SSJUVOHGQZKJOD-XJKSGUPXSA-N	423.326	3.711	10	20	HHCD	
C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	759583243	IVDRORPHWBQTGJ-RKVPGOIHSA-N	423.460	3.661	10	20	HHCD	
CC(C)(C)OC(=O)CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc2c(c1)OCO2	759888811	DWVLZLFJXNCERZ-UITAMQMPSA-N	416.861	3.852	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(C)nc(C(C)(C)C)nc3SC)CC2)cc1	760265778	VMNQMSWZCLUMHN-UHFFFAOYSA-N	414.575	3.775	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)cn1C	760599258	ANNRUBRSJNGNAH-UHFFFAOYSA-N	423.491	3.574	10	20	HHCD	
COc1cc(N2CCN(C/C=C/c3ccc(F)cc3F)CC2)cc(OC)c1OC	761220868	ZNGSSLXAXNJVEY-SNAWJCMRSA-N	404.457	3.826	10	20	HHCD	
Cc1c([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cnn1-c1ccccc1	765256679	VTYBVLPTNLAWFE-NQIIRXRSSA-N	417.557	3.733	10	20	HHCD	
C[C@@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl	765287456	IEDORENILSSVNZ-AEFFLSMTSA-N	406.929	3.818	10	20	HHCD	
O=S(=O)(c1ccc(-n2cccc2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	766055330	SKKDPNOJHVQCGO-HXUWFJFHSA-N	412.511	3.553	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCCc2ccccc21	769569746	IGDQBRLVNLTVMF-UHFFFAOYSA-N	414.508	3.848	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H]1C1CCC1	769758281	BPKZRQURHLUSQF-MRXNPFEDSA-N	406.529	3.659	10	20	HHCD	
C[C@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC12CCC2	771337534	FLTDNLRYUYDUQL-AWEZNQCLSA-N	420.556	3.907	10	20	HHCD	
CCOC(=O)[C@@H](Cc1cccc2ccccc12)NCc1ccc([N+](=O)[O-])c(OC)c1O	775118816	PSRVEOGHZWIWKW-LJQANCHMSA-N	424.453	3.726	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNC[C@@H](O)c1ccc(F)cc1	775159237	OWTYBYWZCZZYPJ-CQSZACIVSA-N	419.088	3.880	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(C)c(C)c1O	775287630	HVAAVQVMZBSPBV-UHFFFAOYSA-N	415.265	3.789	10	20	HHCD	
C[C@@H]1CN(c2ccc(NC(=O)CN[C@H](C)c3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1	775836016	XIIYSOBTQWNCHP-GUDVDZBRSA-N	410.562	3.656	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCOCC2(CCCC2)C1	776132996	UOXPHKWTACHXER-UHFFFAOYSA-N	423.504	3.859	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1csc2ccccc12)c1ccc(N2CCOCC2)cc1	779152466	ADOWUTJXZJJHSS-OAHLLOKOSA-N	409.511	3.554	10	20	HHCD	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCC(=O)c1ccc(O)c(O)c1	782252431	JDKYNFMWZXXGLD-UHFFFAOYSA-N	417.414	3.621	10	20	HHCD	
COC[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C[C@@H](C)O1	783968196	OAPLGDOPWSMEJM-CRAIPNDOSA-N	409.482	3.710	10	20	HHCD	
CCC1(CC)Oc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2O1	787895842	MCXFBSXOWLWDJC-HNNXBMFYSA-N	411.502	3.856	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3cccc(N(C)C)c3)cc2F)C[C@H](C)O1	788645812	BUMRLZJABJPYTM-ROUUACIJSA-N	413.537	3.754	10	20	HHCD	
Cc1nc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)sc1C	789389248	QKNGAGAKXQHKMX-UHFFFAOYSA-N	412.515	3.586	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(C4CC4)cnc3Cl)cc2F)CC1	793455950	HZJSXKGTLNUWTJ-UHFFFAOYSA-N	416.928	3.823	10	20	HHCD	
CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c1	794589661	NDVQRQCDXLIXOM-UHFFFAOYSA-N	408.907	3.586	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@](CO)(c4ccccc4)C3)c2C)cc1	794732409	VJHPIEUKMPEYFJ-VWLOTQADSA-N	404.510	3.879	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1C	795587397	JMFVYXDHXAPQAA-UHFFFAOYSA-N	423.538	3.596	10	20	HHCD	
C[C@H](CO)NC(=O)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1	795798771	RXFXVAINFUYYGS-LJQANCHMSA-N	415.537	3.972	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(Cl)ccc2N2CCSCC2)c(O)c1	797620408	HQLVCEXZTPWBCP-UHFFFAOYSA-N	407.923	3.929	10	20	HHCD	
CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	803662389	VVJMIRVIDHEIOC-UHFFFAOYSA-N	419.500	3.834	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H]1[C@H]1CCCO1	806683991	FAGHDLMSZVUIFO-RTBURBONSA-N	409.477	3.610	10	20	HHCD	
COCc1cnc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)s1	807002979	RUOOIMXTCUXMRH-AWEZNQCLSA-N	410.499	3.605	10	20	HHCD	
CC[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1O	810217032	VEEVTOKFSHDUFV-QGZVFWFLSA-N	417.449	3.934	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CSCC(F)(F)F	819519626	ZHSMWGOFQWKVIM-UHFFFAOYSA-N	406.470	3.671	10	20	HHCD	
Cc1cccc([C@@H]2C(=O)NCCN2Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	848950218	BYNYUYBIRBTWST-JOCHJYFZSA-N	408.502	3.567	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1C	915220336	YDRPIADFTAIZJQ-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCC(=O)N2CCc3sccc3C2)cc1	917627333	CYXGLWGMHPCHGM-UHFFFAOYSA-N	413.587	3.918	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(F)c1	917847209	BOVSJGJHEFKBPZ-UHFFFAOYSA-N	415.374	3.936	10	20	HHCD	
C[C@H]1CCCCN1CCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	918187480	BYMHPWOWZCWAQH-IPMKNSEASA-N	420.573	3.503	10	20	HHCD	
CN(CCOc1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918218315	VFDZPMHCOJNSMN-UHFFFAOYSA-N	421.900	3.536	10	20	HHCD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	918219405	KXEZWDVSXFYHTP-GAJHUEQPSA-N	403.542	3.897	10	20	HHCD	
Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	918303605	BLRBBGMPGGJFHG-UHFFFAOYSA-N	418.335	3.729	10	20	HHCD	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1Oc1ccccc1	919879604	LEKSDLVTOIJOOO-UHFFFAOYSA-N	422.506	3.966	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C)OC[C@@H]2CCCO2)c(C)n1-c1cccc(F)c1	921097520	GQOYOLSUDZKDHD-APWZRJJASA-N	403.450	3.543	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](c1cccc(Cl)c1)C(C)C	1320693169	WDRFJXUXEQOMCG-PXNSSMCTSA-N	419.905	3.781	10	20	HHCD	
O=C(c1ccc(F)cc1)c1ccc(Cl)cc1N[C@H]1CCN(C2CCOCC2)C1=O	1343044555	VQZOTGJZOQHASE-IBGZPJMESA-N	416.880	3.902	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(OC)c1OC	6274855	YFZBPDAVFJVNNO-UHFFFAOYSA-N	405.882	3.720	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1OC	140336635	JMBKNASSQCTNTE-UHFFFAOYSA-N	408.380	3.674	10	20	HHCD	
Cc1ccc2c(C3=CCN(c4cc(N5CCC[C@@H](CO)C5)ncn4)CC3)c[nH]c2c1	521091385	MNCOMVZFKAKIAE-GOSISDBHSA-N	403.530	3.769	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCO[C@@H]3CCCC[C@H]3C)cc2F)C[C@@H](C)O1	252091543	DSCTZXQFPNUBBT-OZQHCQBDSA-N	421.557	3.834	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1	809387748	DJXJORICOVUQGD-UHFFFAOYSA-N	418.302	3.788	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(COc4ccc(C)c(C)c4)n3C)CC2)cc1	809867984	XMDJVPMBEYTKHB-UHFFFAOYSA-N	421.545	3.736	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnn(CC(C)C)c3C3CC3)CC2)cc1F	806815197	BHQFILBCQPGTCY-UHFFFAOYSA-N	415.513	3.918	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21	807689012	CCELIFGYFXRSLN-GOSISDBHSA-N	414.477	3.689	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806745030	DFAHLYDITQOGGP-UHFFFAOYSA-N	412.477	3.743	10	20	HHCD	
C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	806496294	SXVDQJLDHMNGQD-JZWVFAODSA-N	420.557	3.681	10	20	HHCD	
Cc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)c(-c2ccnn2C)c1	801721458	WBPHCLPJSOBTBE-UHFFFAOYSA-N	404.558	3.894	10	20	HHCD	
COc1cc(NCc2ccc3ccccc3c2O)ccc1S(=O)(=O)N1CCCC1	816480864	ZGCQNLKVOLNNDH-UHFFFAOYSA-N	412.511	3.951	10	20	HHCD	
CC(C)(C)C(=O)N1CCC(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	725846172	UVQXIMLWMIPSRS-UHFFFAOYSA-N	402.539	3.712	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c2c(c1)C[C@@H](C)O2	727864884	YSEBYHJYFYTSIY-NCUBORBFSA-N	412.536	3.858	10	20	HHCD	
CCOc1ccccc1[C@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)NC(C)=O	728270285	HBCASMOLBTXKGF-QHCPKHFHSA-N	423.557	3.959	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)cc(OC)c1OC	726197564	UTJKCFYKYKEPQJ-SFQUDFHCSA-N	416.524	3.551	10	20	HHCD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728838922	AQIDLPYPZMZJKG-KUHUBIRLSA-N	408.420	3.872	10	20	HHCD	
CCCC(O)(CCC)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	738975507	LHXUVKAMMWHBLX-IRXDYDNUSA-N	409.546	3.570	10	20	HHCD	
COc1ccc2c(C)c(CCC(=O)NCCCSc3nccs3)c(=O)oc2c1	733884346	RJOFFTWHYYMQPW-UHFFFAOYSA-N	418.540	3.798	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(-c4ccccc4)no3)cc2F)CC1	730192912	QASFNOKZYWCPLL-UHFFFAOYSA-N	408.477	3.553	10	20	HHCD	
CC(C)NC(=O)Nc1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	731859403	VACXJCVYCAPCKO-FQEVSTJZSA-N	411.502	3.744	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1(CC)CC	749613895	DBDWQWWQPYTSGJ-LEWJYISDSA-N	403.567	3.648	10	20	HHCD	
CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1	740610217	UFNSIKZECOGLSV-INIZCTEOSA-N	415.559	3.703	10	20	HHCD	
CC(C)[C@H]1CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCS1	743554688	KIPIBAFHIBNDGC-GQIGUUNPSA-N	409.571	3.722	10	20	HHCD	
Cn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	918438251	IBSHKMAWIJQVOS-MRXNPFEDSA-N	417.473	3.575	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3sccc3C)cc2F)CC1	747869755	OMMYKQQMZSHATI-QZTJIDSGSA-N	401.551	3.757	10	20	HHCD	
CCN(C)c1ccc(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1	741754297	NHQZOPBOQGHPPY-HSZRJFAPSA-N	407.606	3.572	10	20	HHCD	
CCS(=O)(=O)NCc1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1	741698191	XEUCTLQEMABZQV-UHFFFAOYSA-N	415.559	3.615	10	20	HHCD	
CCn1nccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	914436760	DSZREAXQRDTMCZ-ACCUITESSA-N	406.558	3.585	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCCNC(=O)NC2CCCCC2)C2CC2)cc1	914439616	LGYWNIGQOZGNKI-UHFFFAOYSA-N	400.567	3.656	10	20	HHCD	
Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)no1	918222689	WMSPEDYXHJNZTE-ZOCZFRKYSA-N	416.497	3.782	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c2cnn(C(C)C)c2n1	917387239	XTKMOCPBCFAQGE-UHFFFAOYSA-N	409.559	3.804	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)c(F)c1	743889411	PCGOKDFRLAZUAE-UHFFFAOYSA-N	422.298	3.641	10	20	HHCD	
Cc1cnc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1	749884565	ZDQSLZBIJWFMLR-UONOGXRCSA-N	419.506	3.905	10	20	HHCD	
CO[C@@H](C)c1noc(CN(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	748988207	XRADZABJBDZYFL-AWEZNQCLSA-N	422.445	3.790	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1	743568146	KYPOEYVZTXAVHM-OAHLLOKOSA-N	415.484	3.875	10	20	HHCD	
NC(=O)C1(c2ccccc2)CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1	753547738	URGFDRHJJYIEKH-UHFFFAOYSA-N	416.521	3.990	10	20	HHCD	
COc1ccc(C(=O)CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F	751388908	QJCQXFGAPGSONL-SFHVURJKSA-N	415.461	3.711	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3occc3Br)cc2F)C[C@H](C)O1	751238365	FXEWEBOXIGWRHL-RYUDHWBXSA-N	411.271	3.725	10	20	HHCD	
Cc1nc(C)n(-c2ccccc2NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	759968680	AJNUYZGZUGNQCL-IBGZPJMESA-N	421.501	3.803	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc2ccccc2c1O	756457510	RAMYPDVUPXPIOQ-QAPCUYQASA-N	406.482	3.521	10	20	HHCD	
CC(C)c1ccccc1OCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	752031438	ZPNRMCOAUPVHNZ-UHFFFAOYSA-N	414.521	3.996	10	20	HHCD	
C[C@H](NC1CCN([C@H]2CCC[C@@H]2O)CC1)c1cc(Br)cc(Cl)c1O	756763888	AYYYNOHXVFRUFP-GOPGUHFVSA-N	417.775	3.837	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2N(C)C2CCCC2)c1	762437678	AYQWQGFWJWDNBG-OAHLLOKOSA-N	411.502	3.596	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)c2C)c1	764071859	VKFOFNQKDNFQNX-NTKDMRAZSA-N	408.590	3.501	10	20	HHCD	
CCCc1nnc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1	768400795	IPCLTJVPYABVJL-UHFFFAOYSA-N	407.451	3.528	10	20	HHCD	
Cc1ccc(F)c(OCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	765385169	NMSGNFGBFKCGCK-UHFFFAOYSA-N	408.420	3.900	10	20	HHCD	
CN(c1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CCCC1	762412469	KVWKFIWCVUXBHZ-UHFFFAOYSA-N	420.557	3.921	10	20	HHCD	
COc1ccc(C[C@H](CO)CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1O	762556060	UUPKKKHQMAMGNC-FQEVSTJZSA-N	422.525	3.698	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(OC(F)F)cc1	765978685	FJGUEZUVVWJPJD-FQEVSTJZSA-N	424.513	3.764	10	20	HHCD	
CCOC(=O)[C@@H](Cc1cccc2ccccc12)NCc1ccc(N2CCOCC2)cc1	763371215	ONMJHJQNQOELTE-RUZDIDTESA-N	418.537	3.940	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1	769702280	VMQVYEQPDYQFMX-LJQANCHMSA-N	406.479	3.564	10	20	HHCD	
CC[C@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(Cl)ccc1O	775504300	XJXSVUISQOUORW-AWEZNQCLSA-N	414.877	3.648	10	20	HHCD	
Cc1ccc(Cn2nc(C)c(CCC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2C)cc1	773761829	CJCQHFXZIMPWIF-QGZVFWFLSA-N	421.541	3.948	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(N2CCOCC2)cc1	775257753	NGACGSZROGWVNZ-MRXNPFEDSA-N	419.928	3.625	10	20	HHCD	
C[C@@H](NCC(=O)N[C@H](C)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	775258115	QQPVEDUIKDNLIY-IAGOWNOFSA-N	401.938	3.705	10	20	HHCD	
C[C@@H](NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1ccc(N(C)C)cc1	775832077	XDGLJLRLBQWFLD-OXQOHEQNSA-N	406.486	3.967	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)c(Cl)cc1O	774140725	SCLSGVKDIZEVCO-WDEREUQCSA-N	400.258	3.518	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C)c2Cl)cc1	775676534	YPNYDWLCSJPELG-UHFFFAOYSA-N	416.952	3.991	10	20	HHCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1nc(-c2ccccc2)cs1	772773786	DZGQQTNIARVDDY-FROQITRMSA-N	410.451	3.805	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3cnc(-c4ccco4)s3)cc2F)CC1	785457318	WNCPWEBCOKGIBO-UHFFFAOYSA-N	400.523	3.974	10	20	HHCD	
CC(C)(C)c1ccc(CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	786773344	NHIAOTHELBTKSN-UHFFFAOYSA-N	407.558	3.559	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1	786074762	NFHNTWDZQOFWBO-FQEVSTJZSA-N	401.938	3.878	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)n[nH]2)cc1C	780275397	VUQGIBCNGHFICQ-UHFFFAOYSA-N	404.514	3.802	10	20	HHCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl	794805261	PSMHDBIBMSHLCG-SNVBAGLBSA-N	420.337	3.697	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cc4c(cc3C)OCO4)n2)s1	795613516	TZXSTNUUUYRIPK-UHFFFAOYSA-N	409.514	3.721	10	20	HHCD	
O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1CCc1ccc(F)cc1	790590066	HYHDERZCETWNMF-MHWRWJLKSA-N	404.444	3.883	10	20	HHCD	
CN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c2ccccc21	1319104849	UJSHEDCXPXJXBV-HXUWFJFHSA-N	410.429	3.551	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3cc4c(cc3O)OCO4)C2)CC1	1320803914	UEPFPDRZUBAYST-UHFFFAOYSA-N	404.507	3.734	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccn(-c4ccc(Cl)cc4)n3)CC2)cc1	1323193314	OERVVMARBYOQLC-UHFFFAOYSA-N	410.905	3.887	10	20	HHCD	
Cc1cc(-c2nnc(CCNC(=O)OCC(F)(F)F)o2)c(C)n1-c1ccccc1	1345623491	CCRPQBURHUQLDP-UHFFFAOYSA-N	408.380	3.975	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C	4270384	LQCSXUAXIYTKTL-QGZVFWFLSA-N	419.481	3.685	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)CCc3ccc(Cl)cc3)CC2)cc1	24617574	XRXIZEMIGMOBBG-UHFFFAOYSA-N	415.965	3.610	10	20	HHCD	
CC(C)Oc1ccc(CCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	65434522	UXVFIPNHYRLGQK-LJQANCHMSA-N	411.546	3.913	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCSCc3ccccc3C#N)CC2)cc1	195543942	SUCSQXMJKIPNAF-UHFFFAOYSA-N	424.570	3.722	10	20	HHCD	
COc1ccc(N2CCCN(c3ccc4nnc(-c5ccsc5)n4n3)CC2)cc1	302566344	NKXQJJUUNRBKQK-UHFFFAOYSA-N	406.515	3.578	10	20	HHCD	
CCc1ccccc1N1C[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1=O	303542930	YVHFUIOKYWMPHE-RTWAWAEBSA-N	422.525	3.515	10	20	HHCD	
Cc1nc([C@@H](NC(=O)NCc2c(C)c3ccccc3n2C)c2ccccc2F)no1	472048317	KVFYNKIJCCJYFU-FQEVSTJZSA-N	407.449	3.906	10	20	HHCD	
O=C(Nc1ccc(C(=O)Nc2ccnn2Cc2ccc(F)cc2)cc1)C1=S=CC=C1	486766874	CVNXFJQTBGAWSX-UHFFFAOYSA-N	420.469	3.539	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc(N4CCCC4=O)c3)CC2)cc1	726695830	ZCHWIKRTGZUYIZ-UHFFFAOYSA-N	408.502	3.613	10	20	HHCD	
Cc1cc(C(=O)CN2CCCN(C)CC2)c(C)n1-c1ccc(OC(F)(F)F)cc1	727105552	UXDSNRUCJLDXNO-UHFFFAOYSA-N	409.452	3.813	10	20	HHCD	
CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)s1	727243494	MNPLVFQFHBHVQI-UHFFFAOYSA-N	422.557	3.951	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSC[C@H]2CCCCO2)cc1	727375170	JMBNHLLOZSDZGU-NHCUHLMSSA-N	406.592	3.563	10	20	HHCD	
C[C@H](CSc1ccccc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	732390468	FBXHCPRSPFLBBO-QGZVFWFLSA-N	400.544	3.683	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)/C(=C\c1ccco1)NC(=O)c1ccccc1	732954649	DKIXAWJFHSBHDC-HAVVHWLPSA-N	415.493	3.967	10	20	HHCD	
Cc1oc2c(CN3CC[S@](=O)[C@@H](C)[C@@H]3C)c(O)ccc2c(=O)c1-c1ccccc1	736597187	CIXOKJBGYBSLPB-WQIKXMADSA-N	411.523	3.815	10	20	HHCD	
Cc1csc(Nc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2)n1	736674355	SECKKNCIYUKDRX-UHFFFAOYSA-N	418.500	3.525	10	20	HHCD	
CC(C)S(=O)(=O)c1ccccc1NC(=O)NCc1ccc2c(c1)CCCN2C	736995364	YBVADQCERISYQL-UHFFFAOYSA-N	401.532	3.573	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@H](Cc3ccccc3)C(C)C)CC2)cc1	739492469	CQTBEYIERVQDNW-RUZDIDTESA-N	423.601	3.838	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc(NC(C)=O)c1OC	742563812	PMWZAVOYYRNXOV-UHFFFAOYSA-N	413.518	3.779	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)Cc1ccsc1	743273992	PYCNUVILQRMDBP-AWEZNQCLSA-N	404.491	3.983	10	20	HHCD	
CCO[C@H](CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCCC1	747511704	MSVNAVOISHLJMS-JOCHJYFZSA-N	403.567	3.650	10	20	HHCD	
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	751136890	NEQPEHUPYPBNGK-UHFFFAOYSA-N	408.451	3.963	10	20	HHCD	
CC(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	752005230	PDFPRKXAWQQYEX-KZFRKFNSSA-N	421.557	3.690	10	20	HHCD	
CCOCCC1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	752213590	TZDJBUXKONKCNH-MRXNPFEDSA-N	411.493	3.763	10	20	HHCD	
C[C@]1(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO[C@@H]1C1CC1	753198144	ILVYZPAUBGVJLW-FPDPHYFHSA-N	409.477	3.514	10	20	HHCD	
COc1cc(Br)ccc1CCCNC(=O)N(C)Cc1ccccc1O	753386664	VAAZTSXSPQZNOI-UHFFFAOYSA-N	407.308	3.938	10	20	HHCD	
CCOc1ccc(OC)cc1NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753885146	OGQJNCUFQJVSMW-UHFFFAOYSA-N	403.454	3.596	10	20	HHCD	
CC(C)CN1CCO[C@H](CN[C@@H](C)c2cc(Br)cc(Cl)c2O)C1	756355670	QRKIYKOSEKJNRI-GXTWGEPZSA-N	405.764	3.816	10	20	HHCD	
C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc(Br)ccc1O	756601687	ABJSNTBHMUJDQL-RIFZZMRRSA-N	419.363	3.688	10	20	HHCD	
C[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(Br)cc(Cl)c1O	756738709	KMALZHNCBJVEKC-ZMLRMANQSA-N	410.761	3.815	10	20	HHCD	
CCOc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	759498558	PVZXTTKRUORDPT-UHFFFAOYSA-N	401.894	3.594	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H](C[C@@H](C)O)c3ccccc3)CC2)cc1	759572154	DIJCDCMSICHMHW-QUCCMNQESA-N	411.546	3.518	10	20	HHCD	
C[C@@H](C[C@@H](O)c1ccco1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	759575928	VRPMIPPHCVOQOY-KBXCAEBGSA-N	423.460	3.661	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)NCCCSc3nccs3)cc2)n1	759576503	WWDHIRZNNANSKT-UHFFFAOYSA-N	417.560	3.780	10	20	HHCD	
COCC[C@H](c1ccccc1)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759878849	PAXMXTSCNKOECK-HXUWFJFHSA-N	400.519	3.612	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)cc1	761882140	UWTDOHOZGSTTDT-UHFFFAOYSA-N	408.424	3.544	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	764140199	CGRRDIPKGXUGKS-JOCHJYFZSA-N	408.502	3.822	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccnc(OCC(F)(F)F)c1	765341119	ZZFJTNQYAIPPMU-UHFFFAOYSA-N	420.185	3.813	10	20	HHCD	
COc1cccc(-c2nc(C)c(C(=O)NCc3cccc(Br)c3O)[nH]2)c1	765766835	CQBGXTLBGXKOKQ-UHFFFAOYSA-N	416.275	3.792	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NC2CCN(Cc3ccccn3)CC2)C1	765994591	PQSAHNHERUBJQC-JOCHJYFZSA-N	414.981	3.659	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)cc1Cl	766564213	SEZSMKUQOALCEN-JKSUJKDBSA-N	404.917	3.640	10	20	HHCD	
COC(=O)Nc1ccccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768916509	RTHNIKAGZRQWCE-MRXNPFEDSA-N	417.893	3.618	10	20	HHCD	
O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1c(O)ccc2c1CCCC2	769564304	SSBDCKIHGQXAME-UHFFFAOYSA-N	404.850	3.918	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1	771199855	QUFQMZBYZLFWME-UHFFFAOYSA-N	400.243	3.788	10	20	HHCD	
C[C@@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1)c1ccc(N(C)C)cc1	773631969	ZSAIXJDBGQGGAB-CYBMUJFWSA-N	419.323	3.514	10	20	HHCD	
Cc1ccc([C@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	774833094	VCDXUVDDWXTVFQ-FHWLQOOXSA-N	413.537	3.715	10	20	HHCD	
CC[C@H]1C[C@H](CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1	781604463	MAUBTGQFEMDOKO-QAPCUYQASA-N	414.468	3.754	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ncnc3ccc([N+](=O)[O-])cc23)cc1	782150569	MOJATTWGCNXICU-LJQANCHMSA-N	407.474	3.790	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	782732148	KIMQEOFBVVVTQQ-LBPRGKRZSA-N	419.498	3.887	10	20	HHCD	
CCN(CC)CCCN(CC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	788313172	HSFZWLJJOSYPBY-RTBURBONSA-N	422.589	3.703	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)c1	790711580	AAGOQFHSYKGUOQ-UHFFFAOYSA-N	400.475	3.997	10	20	HHCD	
Cc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(Br)cc3O)C2=O)cc1	790747496	DOWRDUWVRZVAQL-KDOFPFPSSA-N	403.320	3.915	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(C(F)F)nn(C)c2s1	792034279	DPKNRKQFQGNYRD-UHFFFAOYSA-N	420.485	3.681	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](O)Cc2ccccc2)cc1	793476487	FYQJIYPTADUQMF-DEOSSOPVSA-N	404.510	3.898	10	20	HHCD	
COCC1(CNCc2cc(Cl)cc(F)c2O)CCN(C(=O)OC(C)(C)C)CC1	793619610	IOPKRHGNANJRJO-UHFFFAOYSA-N	416.921	3.938	10	20	HHCD	
COc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c(O)c1	794390153	YZFXGGXWLMSOKQ-JTQLQIEISA-N	414.683	3.900	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)c(O)c1	797613290	WEGFUWKZEZSDFA-UHFFFAOYSA-N	400.353	3.672	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CC(c3ccc(OC)cc3)=NO2)cc1	802362360	SMLRIFMCIDMYDH-JOCHJYFZSA-N	424.545	3.876	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccsc1	804078763	PKYSDCBPNAIEAB-MRXNPFEDSA-N	411.527	3.813	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](CCO)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	806541268	IFINPMHVMOABSU-KKSFZXQISA-N	417.937	3.661	10	20	HHCD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)C(=O)Nc2ccc(N=Nc4ccccc4)cc2)[C@H]31	807321382	ZNHSOJMVRJOOKT-QPOHIBMRSA-N	404.470	3.922	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(-c4cn(C)c5ccccc45)n3C)CC2)cc1	809833240	REUNKZRAKDSUTR-UHFFFAOYSA-N	416.529	3.699	10	20	HHCD	
C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(N2CCOCC2)cc1	809913084	UYEKNIWKFRBDMA-ZDUSSCGKSA-N	404.854	3.968	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc2ccccc2cc1Cl	810167395	IEGVKVLZOJOHMG-UHFFFAOYSA-N	413.880	3.918	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)c1	810348418	VZPDATFPHWIWEV-MDASCCDHSA-N	418.534	3.861	10	20	HHCD	
COc1ccc(N2CCCN(Cc3cn4ccc(Br)cc4n3)CC2)cc1	811457323	IZULRKJVQUTTGQ-UHFFFAOYSA-N	415.335	3.818	10	20	HHCD	
O=S(=O)(CCc1ccccc1Br)NCc1ccc(N2CCCC2)cc1	812492822	OEANCMYXNMTQAJ-UHFFFAOYSA-N	423.376	3.711	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(N3CCOCC3)c2)cc1F	814366147	JOCNGMMROHJHLE-UHFFFAOYSA-N	414.525	3.508	10	20	HHCD	
CN(C)c1cc(Br)cc(C(=O)Nc2cccc(N3CCOCC3)c2)c1	814407176	WTQVUJKZZMCBHJ-UHFFFAOYSA-N	404.308	3.604	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(C1CCC1)C1CCC1	817048997	LXTOMCAGRNVWQK-UHFFFAOYSA-N	406.529	3.802	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc(F)cc1F)c2[N+](=O)[O-]	821701055	ZRJAFGXAAHBTRP-UHFFFAOYSA-N	408.316	3.901	10	20	HHCD	
CCC(CC)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N1CCCC1	916256690	LMDFKRLUIQWQQJ-YADHBBJMSA-N	417.594	3.983	10	20	HHCD	
Cc1cccc(C)c1OCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916456695	NVOVKHHDHNNMMN-UHFFFAOYSA-N	422.447	3.854	10	20	HHCD	
O=C1CSc2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2N1	916625685	OZBWAFUDSBWMIO-UHFFFAOYSA-N	414.556	3.606	10	20	HHCD	
Oc1ccccc1CN(C[C@H](O)COCc1ccccc1Cl)C[C@@H]1CCCO1	916632905	CBUFERMCFAAHCP-PMACEKPBSA-N	405.922	3.604	10	20	HHCD	
CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1	917074115	PVQMFMXSXKALNK-UHFFFAOYSA-N	423.557	3.537	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cc(Br)cs3)CC2)cc1	918070897	WHMNZKLNKBIURM-UHFFFAOYSA-N	424.364	3.941	10	20	HHCD	
Cc1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1F	918200050	VATFSVBILJBVDG-HOTGVXAUSA-N	403.473	3.886	10	20	HHCD	
Cc1cc(C(=O)NCCS(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	919983429	RYCIMEWRJVSEPP-UHFFFAOYSA-N	416.930	3.951	10	20	HHCD	
CN(Cc1cccnc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	920426061	DOUHJTNRFJUMBA-WJDWOHSUSA-N	417.581	3.783	10	20	HHCD	
Cc1cc(C)n2ncc(C(=O)OCC(=O)c3cc(C)n(-c4ccccc4)c3C)c2n1	1115833133	FLHXCMSZCBYPNF-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	1318779798	MOGKZEVGQNUTQU-LINZTHPZSA-N	420.500	3.704	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(OCCOC)cc3Cl)CC2)cc1	1320355105	OFCXBSGEIVBBEB-UHFFFAOYSA-N	418.921	3.726	10	20	HHCD	
CCS(=O)(=O)C1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1	1320811887	CKEOKXPOGXOXLT-UHFFFAOYSA-N	408.951	3.787	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](C)OC(C)C)C3)cc1	1845398839	JKEDRPHLUWIBPC-HXUWFJFHSA-N	423.557	3.725	10	20	HHCD	
Nc1nc(N)nc(CSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccccc2)n1	17742012	BIBGVGDFZGHZBI-UHFFFAOYSA-N	423.933	3.894	10	20	HHCD	
Cc1cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c(C)n1-c1ccccn1	108904476	JZHGDGMLQXZTBL-UHFFFAOYSA-N	415.497	3.776	10	20	HHCD	
COc1ccc(CN2CCCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)cc1	472231802	KPQKKAUFPLQHLI-UHFFFAOYSA-N	420.557	3.913	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1	541063807	XMAHFCARTBEOQX-UHFFFAOYSA-N	422.529	3.739	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726722100	MMMHDAWEFTZANH-UHFFFAOYSA-N	405.445	3.804	10	20	HHCD	
CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)c1c(F)cccc1F	727375408	CIVVLEQLLOXAOS-NRFANRHFSA-N	415.484	3.839	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1O	727762213	CUAICWTUHPBRJR-INIZCTEOSA-N	423.296	3.629	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3ccnc3C)nc2)cc1F	731363871	CJOKPWRUTQXPOR-UHFFFAOYSA-N	410.497	3.560	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3	734557489	FOBXXXGSHMNZQF-UHFFFAOYSA-N	410.543	3.509	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742797504	DNVDHMBSUKSIJC-AWEZNQCLSA-N	405.401	3.903	10	20	HHCD	
Cc1nccn1-c1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1F	743563417	RIOMSDDNCGWORB-UHFFFAOYSA-N	408.477	3.904	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(N2CCOCC2)cc1	743564412	KUKXMQDAFOYDJT-OALUTQOASA-N	419.529	3.830	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(F)c(C(F)(F)F)c1	743956335	QWFUWPPFWHXFJV-UHFFFAOYSA-N	410.367	3.684	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)OCc3nc(CC(F)(F)F)no3)c2C)cc1	744510596	KQBJWEKHWPNESB-UHFFFAOYSA-N	409.364	3.948	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)c(C)n1-c1ccccn1	744699811	BCOUFXYQOJVPFB-KRWDZBQOSA-N	411.506	3.878	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)ccc21	745787889	BQMFUBSREIARIZ-UHFFFAOYSA-N	424.501	3.730	10	20	HHCD	
Cc1cnc([C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)s1	745866061	GMDDBZAVRZTSEO-HKUYNNGSSA-N	401.532	3.999	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC3CCN(CCOC(C)C)CC3)cc2)CC1	747579575	DEMDKEQLLPYEHA-UHFFFAOYSA-N	416.610	3.612	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCCCCCCN3CCCC3)CC2)cc1	747957540	UFDCWTDWHJOJRL-UHFFFAOYSA-N	416.610	3.963	10	20	HHCD	
C[C@@H](NC(=O)Cc1cc(Cl)cc2c1OCC2)c1ccc(N2CCOCC2)cc1	754166659	BFKYZRAQMXUXID-OAHLLOKOSA-N	400.906	3.531	10	20	HHCD	
COc1cccc(-c2noc(SCC(=O)NCc3ccc(N4CCCC4)cc3)n2)c1	755049369	QFZMZRDNNFHEOV-UHFFFAOYSA-N	424.526	3.754	10	20	HHCD	
C[C@H](NCCS(=O)(=O)c1ccccc1)c1cc(Br)cc(Cl)c1O	756460305	ZKVIYECYUPIBBR-NSHDSACASA-N	418.740	3.933	10	20	HHCD	
C[C@@H](NCC1(N2CCCC2)CCOCC1)c1cc(Br)cc(F)c1O	756544025	RPUWOZURGAKCQB-CYBMUJFWSA-N	401.320	3.589	10	20	HHCD	
C[C@@H](NC1CCN(C[C@H]2CCOC2)CC1)c1cc(Br)cc(Cl)c1O	756584988	ICXBTBKGPITFTB-CHWSQXEVSA-N	417.775	3.960	10	20	HHCD	
Cc1ccc([C@H](C)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c(O)c1	756774114	FRTXAVMDSHYIOE-ZDUSSCGKSA-N	403.422	3.724	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1CCC(F)(F)F	757248490	PILJOJHERKZTPH-UHFFFAOYSA-N	407.436	3.845	10	20	HHCD	
CCCC1(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCC1	759467400	XQSBJIRRNJMRJV-CALCHBBNSA-N	420.525	3.569	10	20	HHCD	
CCO[C@H]1COCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	760054099	SYTICYSCMUNRPS-MOPGFXCFSA-N	421.335	3.780	10	20	HHCD	
C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@H](c2ccc(Cl)c(F)c2)C1=O	761160763	ROUNFNAKHITFAY-YJYMSZOUSA-N	417.868	3.670	10	20	HHCD	
COc1cc(N2CCN([C@H](C)CCc3cccc(F)c3)CC2)cc(OC)c1OC	761218753	HDTQDAPMYFDYCY-QGZVFWFLSA-N	402.510	3.995	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1	764441276	KEEGLSVDTPXAPA-GFCCVEGCSA-N	414.959	3.996	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCCCC2)cc1	764944208	CRLGJEFAUVYRID-NRFANRHFSA-N	420.601	3.915	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1OC(F)F	765252833	JEVIZJXZZVCDNP-GDBMZVCRSA-N	421.463	3.980	10	20	HHCD	
C[C@@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N2CCCCC2)cc1	765420043	LYXNUBVOHUWPLI-OAQYLSRUSA-N	406.574	3.676	10	20	HHCD	
COc1ccc(N2CCN(Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1F	768725113	YZMDQXWQABRQIL-OAQYLSRUSA-N	400.494	3.714	10	20	HHCD	
O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccc(O)c(O)c1	768914836	MPTRAPKCDSKZAP-LJQANCHMSA-N	424.884	3.929	10	20	HHCD	
COc1ccc(N2CCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1	768997835	HRNMRWLDTCUUGW-UHFFFAOYSA-N	407.417	3.917	10	20	HHCD	
COc1ccc([C@H]2CCCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	769638916	PRDSPBFIAFZKTA-LJQANCHMSA-N	418.515	3.530	10	20	HHCD	
COc1cc(C(=O)NCCc2ccc(O)c(O)c2)cc(OC)c1OCc1ccccc1	770624626	MCZOXVXAFBVUJF-UHFFFAOYSA-N	423.465	3.667	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1	772691099	GVYONXOEWCSXLB-PMACEKPBSA-N	407.518	3.761	10	20	HHCD	
COc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC	773190506	GBZLPOOEAGETMO-HUUCEWRRSA-N	401.507	3.900	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773609549	AOJKMWARINQBKM-BQFCYCMXSA-N	404.555	3.758	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)c(C)o1	773624804	KWRFYQVQOYVYNO-MRXNPFEDSA-N	412.534	3.627	10	20	HHCD	
COCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1	774700831	ONPCXEPPNVSDBY-UHFFFAOYSA-N	419.484	3.974	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1)c1ccc(N(C)C)cc1	775666381	JYXOYYNJFPWOFE-INIZCTEOSA-N	410.518	3.544	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(Cl)cc3)[C@@H]3C[C@@H]3C)nc12	776026992	WORVAKXUZZBZHB-JOKNJTHLSA-N	414.893	3.752	10	20	HHCD	
COc1cccc([C@H](C)N2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)c1	776244378	IWUUILURNYGVGP-OALUTQOASA-N	410.562	3.911	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)cc1	779490854	FYPRKQXFTNLFAJ-ACAGNQJTSA-N	424.478	3.859	10	20	HHCD	
Cc1cc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c(C)n1-c1ccc(F)cc1	782028379	GNSBQTZPSCTSMX-QHCPKHFHSA-N	421.516	3.730	10	20	HHCD	
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	783315658	FVDAEXNTYSFWGF-UHFFFAOYSA-N	424.545	3.723	10	20	HHCD	
Cc1ccncc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	785893113	WZHQPCDMJSFBHR-UHFFFAOYSA-N	406.438	3.608	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(-c2ccccc2)o1	788485111	ZYXZYUSILZGFLJ-UHFFFAOYSA-N	405.498	3.678	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3nccc(Oc4ccccc4)n3)cc2)C1	788532263	PBRVUOHJFBPLPT-GOSISDBHSA-N	403.486	3.583	10	20	HHCD	
CCc1[nH]nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1Br	789938133	MJKTTWULJNVRGM-UHFFFAOYSA-N	405.340	3.901	10	20	HHCD	
COc1ccc(CCS(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	790017725	MCQDJBXVFSIRGX-UHFFFAOYSA-N	402.560	3.594	10	20	HHCD	
O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1c(F)ccc(O)c1O	790069720	POWYEHULBXIOFB-KRWDZBQOSA-N	412.486	3.828	10	20	HHCD	
Cc1cc(CC(=O)OC[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccc(Cl)cc1	791627168	LUGWBHLCLANFFZ-INIZCTEOSA-N	409.935	3.658	10	20	HHCD	
CN(C)c1ccc(CNC[C@H](O)COc2ccc(F)c(F)c2)c(C(F)(F)F)c1	792968641	WQAGJIPJNKOQOE-AWEZNQCLSA-N	404.379	3.579	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cn2c(C)nc3cc(F)c(F)cc32)cc1F	793467381	JGRCBSYLGCEIMC-UHFFFAOYSA-N	404.436	3.925	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C	802609639	HTVOZVGCFKTPTC-UHFFFAOYSA-N	406.486	3.654	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)ccc21	803686117	WLPBKOLAUJGSTA-RBBKRZOGSA-N	405.542	3.528	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](c2ncccc2C)C(C)C)cc1F	804853621	SYDTUVTXPXSJPR-FQEVSTJZSA-N	414.525	3.505	10	20	HHCD	
O=C(NCc1noc2c1CCCC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806685427	SNHAJTWOIPIRGJ-UHFFFAOYSA-N	420.460	3.623	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1)c1ccc(N(C)C)cc1	807674399	KJAZDQRVFSTOHQ-VWKPWSFCSA-N	409.530	3.837	10	20	HHCD	
Cc1cc([C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C2CC2)ccc1F	808840524	LCGMKVPYHBFRAZ-HSZRJFAPSA-N	423.532	3.959	10	20	HHCD	
CC[C@]1(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)OCCc2ccccc21	811926151	MHRGZCHKNDLCFS-RUZDIDTESA-N	423.557	3.841	10	20	HHCD	
Cc1cc(=O)cc(C)n1CCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	812914997	AANJKFILCCRXEF-UHFFFAOYSA-N	414.461	3.659	10	20	HHCD	
Cc1cc(CN2CCC(O)(c3scnc3Br)CC2)ccc1N(C)C	815105446	MBWMSTCYZWIMIN-UHFFFAOYSA-N	410.381	3.764	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3NC(=O)C3CC3)c2)CC1	815902879	VHYQRYGUQYEAHW-UHFFFAOYSA-N	406.530	3.818	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(-n3cccn3)nc2)c(C)n1-c1cccc(F)c1	825841803	PJZXXNGTRMDRGF-UHFFFAOYSA-N	418.428	3.854	10	20	HHCD	
CN1CCc2cc([C@@H]3Nc4ccccc4C(=O)N3CCNC(=O)OC(C)(C)C)ccc21	877857118	YHKKZJACBLANJT-OAQYLSRUSA-N	422.529	3.770	10	20	HHCD	
CC(=O)Nc1cccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1	913517277	DTYBCFSSSUESBI-PXNMLYILSA-N	415.452	3.665	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COc1cccc(NC(=O)C2CC2)c1	914840463	DHVIQVTVMJMKOP-UHFFFAOYSA-N	409.530	3.917	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CC[C@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCCO2	914972397	QQZSMEAYQIGPGF-GOSISDBHSA-N	413.470	3.550	10	20	HHCD	
CC(C)C(=O)Nc1nc(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cs1	916046905	MIMRPLGVCRJISE-UHFFFAOYSA-N	402.564	3.783	10	20	HHCD	
CCCCNC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	917148363	VRVRGVMDROWJCD-UHFFFAOYSA-N	404.514	3.949	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCc3cc(F)cc(F)c32)c1	917441979	MKOTXVYVNUSTSZ-UHFFFAOYSA-N	416.468	3.658	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(c4ccccc4F)CCCC3)cc2)C1	917833117	LXZMNKZWBGLAEN-LJQANCHMSA-N	423.532	3.656	10	20	HHCD	
Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	918117863	RLACJDVGDLPEQR-GHTZIAJQSA-N	408.546	3.599	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1	919750499	NKEOZKPPWIKNSY-HXUWFJFHSA-N	412.489	3.975	10	20	HHCD	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(-c2ccccc2)cc1	919841116	ZVSHJCKBVJALSD-UHFFFAOYSA-N	406.507	3.841	10	20	HHCD	
Cc1cc(Br)ccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919969424	XYMSVZXVDXFVCM-UHFFFAOYSA-N	417.347	3.896	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccnc1Cl)c2[N+](=O)[O-]	1317757096	WBUJXHCGWJUIOX-UHFFFAOYSA-N	407.769	3.671	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)ccc21	303303844	NJCVLZIVINKHAV-UHFFFAOYSA-N	421.545	3.565	10	20	HHCD	
CC(=O)N(C)C1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)CC1	110986102	GRSVCEPJQYDOEF-UHFFFAOYSA-N	407.558	3.708	10	20	HHCD	
COc1ccc(N2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1	301120605	YTUWQLASOPFNJZ-UHFFFAOYSA-N	409.490	3.932	10	20	HHCD	
C[C@@H](c1ccccc1)N(CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1O	216482739	BJOPWLAHEBKVGL-KRWDZBQOSA-N	407.470	3.574	10	20	HHCD	
COC(=O)COc1c(C)cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C	237188373	RBFADONAOSBLCO-LJQANCHMSA-N	412.530	3.543	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1nc(C)cs1	804883492	XRIFFUBFYJMGOF-GOSISDBHSA-N	402.564	3.522	10	20	HHCD	
Cc1cc(-c2nnc(N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)n2C)c(C)n1-c1ccccc1	800742617	XIFGXGZTGFJQEC-RGZWJVDOSA-N	421.545	3.662	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C	808917363	ULJAUJFABCFGMN-FQEVSTJZSA-N	417.500	3.893	10	20	HHCD	
CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1	804312252	AUGOSSOLGJXHDI-JQYPEGPJSA-N	424.497	3.762	10	20	HHCD	
COc1ccc(Sc2nsc(NC(=O)NCc3ccc(OC)cc3O)n2)cc1	809923279	HYGPBVVLKHOXMA-UHFFFAOYSA-N	418.500	3.734	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)cc1	802609523	DWJPGRDDSNFJEE-UHFFFAOYSA-N	405.292	3.922	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CSCc1cc(=O)n2ccsc2n1	801547875	CKHWXRBYEUFWAT-UHFFFAOYSA-N	417.556	3.524	10	20	HHCD	
CC[C@@H](N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1ccc(N(C)C)cc1	806169965	NCUZMBJZQWOAQD-FGZHOGPDSA-N	411.546	3.612	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)cc1	800833544	DZBTZYBISNAXPI-UHFFFAOYSA-N	422.450	3.576	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(Cl)s1	803688073	UTMPKZCIIQWLCM-HNNXBMFYSA-N	405.951	3.668	10	20	HHCD	
COC(=O)C1=NO[C@@H](CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)C1	814773472	SOYWHCZWBBIREP-OGEWLBHXSA-N	418.521	3.923	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCN2c3ccccc3C[C@H]2C1	811864468	BCLSWYISOZMQPZ-QFIPXVFZSA-N	422.598	3.586	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](CO)c3ccc(Br)c(F)c3)CC2)cc1	813791570	CWMSEYIEFVJAEN-FQEVSTJZSA-N	423.326	3.889	10	20	HHCD	
Cc1csc(-c2ccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)cc2)n1	726294000	OCEXTYQORSSZLC-UHFFFAOYSA-N	420.538	3.756	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1	727435856	VEIUMCFORJEJCM-NRFANRHFSA-N	419.928	3.577	10	20	HHCD	
O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1cc(O)cs1	732257111	DRDAXPLNBDTJGL-AUWJEWJLSA-N	408.888	3.573	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(I)cc2C)c1	734059204	NYYYXRARJZPQTN-UHFFFAOYSA-N	412.227	3.636	10	20	HHCD	
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	734228738	WQJIHPLSRYPUAF-UZLBHIALSA-N	421.501	3.804	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2cnn(C(C)C)c2c1	737117308	MILYEDHGXOIIBA-UHFFFAOYSA-N	407.518	3.670	10	20	HHCD	
CCCN(CC)Cc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1	739767406	BROSVYHYTNKIED-UHFFFAOYSA-N	422.573	3.873	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CSc3ccc(F)c(F)c3)cc2F)CC1	730194900	SCYLTOZWYPQXPD-UHFFFAOYSA-N	423.504	3.654	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1F	731346618	ZGCYNJPHKIIROV-UHFFFAOYSA-N	404.482	3.557	10	20	HHCD	
CN(CCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(N2CCCCC2)cc1	743839223	OPOWGGBOFUDNMN-UHFFFAOYSA-N	402.560	3.591	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(C[S@](C)=O)c1	743808482	VRULQHDKTNJJJS-DEOSSOPVSA-N	410.333	3.696	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)[nH]1	914966123	JOZIEVHIRBORJN-AWEZNQCLSA-N	416.433	3.591	10	20	HHCD	
COc1cc(CN(C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc(OC)c1	919905143	VANZXZCTCYVXIC-UHFFFAOYSA-N	415.559	3.599	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c([N+](=O)[O-])cc1OC	914506937	VPYFBCDWQDUYPF-UHFFFAOYSA-N	401.463	3.729	10	20	HHCD	
C[C@@H]1CN([C@@H](CNCc2ccc3c(c2)CCO3)c2c(F)cccc2Cl)CCO1	917395645	WXHYBXUCQRDVAA-QRWLVFNGSA-N	404.913	3.966	10	20	HHCD	
O=C1/C(=C\NCc2ccc(N3CC=CC3)cc2)c2ccccc2C(=O)N1c1ccccn1	740810763	YACPNZMUUSZUES-NKFKGCMQSA-N	422.488	3.776	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)c(C)n1-c1ccccn1	918047803	QFLKFANQPZDGEA-UHFFFAOYSA-N	411.509	4.000	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cn(Cc3ccccc3)nn2)cc1	914456035	KITOUFBBZGCNHJ-UHFFFAOYSA-N	415.497	3.828	10	20	HHCD	
COc1cc(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1C	916457953	SSBBPRJNCKEFIG-UHFFFAOYSA-N	422.447	3.718	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@]4(C3)C(=O)Nc3ccccc34)ccc21	681676473	GUOJIGPCVNBAJK-RUZDIDTESA-N	417.509	3.641	10	20	HHCD	
O=S(=O)(c1cccc(-c2nnc(Sc3nccs3)o2)c1)N1CCCCC1	914862774	FHUMIFUCIZBHLQ-UHFFFAOYSA-N	408.530	3.519	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800252	PQXGWKAQKYSKBM-CYBMUJFWSA-N	421.400	3.604	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2Cc1csc(CC(=O)Nc2ccccc2)n1	746498269	ZRHOJXYNWINADW-UHFFFAOYSA-N	408.527	3.789	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1Cc1ccccc1	751098435	SIYPROOQZUEGOF-REWPJTCUSA-N	404.558	3.915	10	20	HHCD	
CCCN(Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)Cc1ccccc1O	750875712	WCUGELXZSRWWMP-UHFFFAOYSA-N	410.543	3.894	10	20	HHCD	
CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	757183164	VFNVXDPDNGBULX-BEFAXECRSA-N	415.519	3.941	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)c(Br)c1	759594088	FUXXTXIJTZBEIE-VVEJJEBESA-N	420.259	3.752	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H](C)c3oc4ccccc4c3C)CC2)cc1	754628841	HBJHQMHRZUQALR-PZJWPPBQSA-N	423.557	3.584	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)nc1-c1cccc(Cl)c1	751591279	XRNZAMDNJIMIQS-AWEZNQCLSA-N	424.935	3.731	10	20	HHCD	
C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCCCSc1nccs1	752687378	JTNLJKSOIJDTPY-KBPBESRZSA-N	414.597	3.570	10	20	HHCD	
Cc1ccnc2nc(C(=O)OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)nn12	756282423	QGVAQXUQESOHFN-UHFFFAOYSA-N	415.413	3.644	10	20	HHCD	
CC[C@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC)cc1	751644761	JGFAPMOIIRKYEL-GOSISDBHSA-N	400.494	3.871	10	20	HHCD	
CCCn1cc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1	762547074	UHFCBUWZRIFBMU-CQSZACIVSA-N	402.454	3.508	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](CCO)C3CCCCC3)cc2F)C[C@@H](C)O1	766880400	ZXRYRMHACOYBJS-CBGDNZLLSA-N	421.557	3.570	10	20	HHCD	
CCC1(CC)[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C[C@H]1OC	766894575	WVSBTVLVGXBQFX-DZFGPLHGSA-N	403.567	3.819	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@H]3c3ccccc3)cc2)C1	763012641	GSDKGJWAIUHKQH-GMAHTHKFSA-N	420.557	3.825	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(Cc2ccccc2F)C2CCCCC2)c1	769769161	QHHMIOQIXQZSOC-UHFFFAOYSA-N	420.506	3.878	10	20	HHCD	
Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1OCC1CCOCC1	761646786	NXDFAKUWTHYHGK-UHFFFAOYSA-N	400.475	3.576	10	20	HHCD	
CCCC[C@@H](CC)Cc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	771066888	LQSOIEGUFSTSGA-GOSISDBHSA-N	414.550	3.728	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C)CCOc2ccc(C(F)(F)F)cc2)c1O	775104088	YZYSMYZKKKUTQM-UHFFFAOYSA-N	400.353	3.839	10	20	HHCD	
CCc1nsc(N2CCCN(Cc3cc(Br)cc(C)c3O)CC2)n1	775735343	NMPYNLIROXRMEX-UHFFFAOYSA-N	411.369	3.589	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1	774923374	LDHHLFMJUGRDFK-AWEZNQCLSA-N	407.436	3.573	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1)c1ccc(N(C)C)cc1	773622579	GQXPANDUQGVWBR-ZWKOTPCHSA-N	423.561	3.740	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1c(=O)cnc2ccccc21	777822848	OCSMBXGOGDDFQM-GOSISDBHSA-N	413.477	3.892	10	20	HHCD	
C[C@@H](NC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1)c1ccc(N(C)C)cc1	773989197	OHORAGYKAUIZMW-WBVHZDCISA-N	409.559	3.851	10	20	HHCD	
COc1ncc(/C=C\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cn1	775848446	JJKNIEBKAHVASH-OQFOIZHKSA-N	407.401	3.600	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@@H](OC)c3ccccc3F)CC2)cc1	775770530	POIKSDIDNXAUAK-HTAPYJJXSA-N	415.509	3.832	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c(C)csc2C(=O)OC)cc1	785479460	ZDUXBJBMNBLMJR-UHFFFAOYSA-N	410.561	3.510	10	20	HHCD	
C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)N1C[C@H](C)C[C@@H](C)C1	789014927	UDMPDDJFRBFHIS-OAGGEKHMSA-N	419.477	3.512	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OC[C@H]2CCS(=O)(=O)C2)cc1	788882884	FCCDBOKIHMQNKU-OAHLLOKOSA-N	401.488	3.760	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnn(C(C)C)c2)c(C)n1-c1ccc2c(c1)OCCO2	787810580	KCSOIFUSPAGHCU-UHFFFAOYSA-N	423.469	3.682	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(OC)cc3OC(F)F)c2)CC1	789666356	ZVGACKWBDNUUAW-UHFFFAOYSA-N	405.445	3.691	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(c2ncc3n2CCCC3)CC1	789036806	IVIKSKCEDWKIIK-UHFFFAOYSA-N	405.546	3.685	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C2CC2)C2CC2)cc1	785168471	FKFLGABAEFUBNQ-FQEVSTJZSA-N	401.551	3.937	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(-n4cccn4)cc3C)CC2)cc1	789343505	GFROACHPLHGIEU-UHFFFAOYSA-N	405.502	3.934	10	20	HHCD	
C[C@H](OC(=O)C(C)(C)C(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	795850954	ONEVMZUCDIPCSW-NSHDSACASA-N	415.392	3.624	10	20	HHCD	
CN1CCC(N2CC[C@H](NCc3ccc4c(c3)CCN4Cc3ccccc3)C2)CC1	796304762	LWVSIVPRCPWGJA-DEOSSOPVSA-N	404.602	3.507	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H](C(N)=O)c3ccccc3)cc2Cl)C1	799995186	ZIEOETSLDNGZEK-FOIQADDNSA-N	414.937	3.602	10	20	HHCD	
CCOC(=O)C(C)(C)C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	798369050	YPILUFGTGWPVDN-KRWDZBQOSA-N	416.543	3.980	10	20	HHCD	
CC[C@@H](N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)ccc1O	797041224	XUGZOHFHLHRBHT-NVXWUHKLSA-N	410.356	3.876	10	20	HHCD	
Cc1ncc(Br)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)n1	1325726079	RPPDTWYJOXUURK-UHFFFAOYSA-N	409.247	3.510	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2cnn(Cc3ccccc3Cl)c2)SC1=S	17699397	PJMGECLPHYNKTB-OVCLIPMQSA-N	421.931	3.651	10	20	HHCD	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1	18215187	RDQZZKDYNJZADM-RTBURBONSA-N	423.557	3.851	10	20	HHCD	
O=C(c1cnc(NCc2ccc(N3CCOCC3)cc2)c(Cl)c1)N1CCCCC1	64916457	WIJWPRXJGNEPPP-UHFFFAOYSA-N	414.937	3.810	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1	195554076	ILFUGIDCAWVVQM-UHFFFAOYSA-N	408.546	3.655	10	20	HHCD	
O=C(CN1CCCCCC1)Nc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1	238101671	AYXBNFJJXRYDPC-UHFFFAOYSA-N	422.573	3.950	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccccc3OCCN(C)C)ccc21	486039400	BWSHPNFPKDPDSF-UHFFFAOYSA-N	423.557	3.775	10	20	HHCD	
COC(=O)c1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1OC(C)C	581645966	FDZSIPKBBWNDOX-UHFFFAOYSA-N	413.474	3.757	10	20	HHCD	
COC(=O)CCc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	729578821	SBIBLKKYLRSVEF-FQEVSTJZSA-N	412.486	3.711	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCCNC(=O)C(C)(C)C)cc1	729830955	MKOMYQXABXAIKQ-UHFFFAOYSA-N	401.473	3.586	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1	731283871	HLFWXLBJMILFTF-NRFANRHFSA-N	415.509	3.526	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3ccccc3N3CCC[C@@H](C)C3)CC2)cc1	731841415	IHCZAHPYRJDJBA-HXUWFJFHSA-N	423.557	3.659	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)c2c(c1)OCCO2)Cc1cc(Cl)ccc1O	732202763	BEWFAYLLRYPFMP-UHFFFAOYSA-N	412.269	3.645	10	20	HHCD	
CC[C@@H](OC1CCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	733097373	JFOALNXQUFERRT-LJQANCHMSA-N	414.468	3.896	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(OCc3cccc(C)c3)c2)c1	734074573	STWMBACNDIIOEM-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NC(C)C)cc1	738298266	HBDVXAJCVGVQEI-UHFFFAOYSA-N	410.562	3.742	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1	741068720	ACIAMFGVIAANOO-UHFFFAOYSA-N	414.531	3.536	10	20	HHCD	
CN1C(=O)c2ccc(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cc2C1=O	742416697	LNISQJQMGLZJEO-UHFFFAOYSA-N	405.498	3.611	10	20	HHCD	
O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Br)c(C(F)(F)F)c1	743249091	GQXZRSVMYXBQKZ-UHFFFAOYSA-N	424.194	3.997	10	20	HHCD	
Cc1ccc(Br)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	743314958	RTEMJWHKMYRHFR-UHFFFAOYSA-N	421.310	3.788	10	20	HHCD	
COCCOC[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1	744416939	KJNZZJYUBIBVPK-IBGZPJMESA-N	402.510	3.709	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)OCc3csc(CS(C)(=O)=O)n3)c2C)c1	744481259	COXKQKNVFLCDNE-UHFFFAOYSA-N	418.540	3.761	10	20	HHCD	
CN(Cc1nccn1Cc1ccccc1)C(=O)NCc1ccc2c(c1)CCCN2C	745787871	BFSITSQKPARUSU-UHFFFAOYSA-N	403.530	3.655	10	20	HHCD	
CC(C)[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC1	745804770	PJDPTVJOZFTYIP-PXNSSMCTSA-N	424.536	3.676	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	746495690	CXXGHNZLPBMAKA-UHFFFAOYSA-N	409.486	3.632	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1	747839654	XYUSDZXAPLPABR-DHLKQENFSA-N	409.574	3.811	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCCC(=O)NCc3cccnc3)c2C)c1	749366380	ZUVLWMMZKSVBHU-UHFFFAOYSA-N	404.514	3.542	10	20	HHCD	
CSc1ccncc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	750253594	OAVGIJJTBBOCLC-UHFFFAOYSA-N	412.559	3.827	10	20	HHCD	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1c(O)ccc2c1CCCC2	750627434	YXFACZBUTPREKZ-UHFFFAOYSA-N	411.502	3.693	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Cc3ccc(OCc4ccccn4)cc3)ccc21	751783824	ABXCTTUHRKBSEO-UHFFFAOYSA-N	401.510	3.902	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C	751937784	WKCBOWUACCGLJV-ZXFNITATSA-N	415.559	3.802	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1	753736315	UYQMSNPZCQAKRL-ZJSXRUAMSA-N	423.557	3.833	10	20	HHCD	
COc1ccc(S[C@H](C)C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753740821	VYBPSRSHYLHDDR-OAHLLOKOSA-N	404.507	3.672	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)C(C)(C)C)CC2)cc1F	753741629	GXKGCXSPXRKXDH-UHFFFAOYSA-N	413.493	3.781	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H](n4ccnc4)C3)c2C)cc1	754644875	SXTXZNFTVKWBKH-NRFANRHFSA-N	420.513	3.597	10	20	HHCD	
COc1c(F)ccc(F)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755358538	PPFJXUFBMCVABY-GFCCVEGCSA-N	412.383	3.974	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc4ccncc34)cc2)CC1	756178527	MUUNWCUXQHGXHG-UHFFFAOYSA-N	402.498	3.726	10	20	HHCD	
C[C@H]1CN(c2ccc(CNCC(C)(C)NC(=O)OC(C)(C)C)cc2F)C[C@H](C)O1	759134516	IFJUEWAUMZMGPN-HOTGVXAUSA-N	409.546	3.832	10	20	HHCD	
C[C@H]1CN(c2ccc(CNCC(C)(C)NC(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1	759134540	IFJUEWAUMZMGPN-IYBDPMFKSA-N	409.546	3.832	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	760910340	WCJWPPZGAGIFTN-QRVBRYPASA-N	409.477	3.514	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCOc1ccccc1OC	761751706	AOELUNRNJUTMRO-UHFFFAOYSA-N	408.292	3.981	10	20	HHCD	
Cc1ccc(Cl)c(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	762225591	KSDSSHRXFJGFEU-INIZCTEOSA-N	400.910	3.672	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3c(=O)o2)cc1	764458860	BWHRYSOIAFJGER-FQEVSTJZSA-N	406.482	3.680	10	20	HHCD	
C[C@H](N[C@H](c1cccc(F)c1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764813520	FEHLMNQFRAMYCN-KSFYIVLOSA-N	412.484	3.975	10	20	HHCD	
C[C@H](N[C@H](c1ccccc1F)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764815989	SAJKWLCWASRUHX-KSFYIVLOSA-N	412.484	3.975	10	20	HHCD	
C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1	769705634	KWCGTDXACOENHQ-GFCCVEGCSA-N	408.907	3.783	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(OC(F)F)cn1	772016298	NVPFBACCTGDHSX-UHFFFAOYSA-N	413.371	3.683	10	20	HHCD	
C[C@H](NCCNC(=O)CC1CCCCC1)c1ccc(N2CCOCC2)cc1Cl	772986036	MWLRWDMTDFTUNA-KRWDZBQOSA-N	407.986	3.914	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2cncnc2)cc1F	773788010	YFIPIRVTUXVWAS-UHFFFAOYSA-N	408.502	3.766	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1OCC(F)F	774088067	YROLFOVTBUBYCR-UHFFFAOYSA-N	423.435	3.970	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(F)cc1F	774920570	SHRGVCKZEKGBLS-HNNXBMFYSA-N	403.473	3.645	10	20	HHCD	
Oc1c(Br)cccc1CNCc1cc2c(cc1Br)OCO2	775153930	XAXCDQHQQBVJLP-UHFFFAOYSA-N	415.081	3.936	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	775728497	IMBJHDVXOWNKML-YVHKJVDXSA-N	415.509	3.799	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](O)[C@H](C)C2)c(C)n1-c1ccc(Br)cc1	778258457	KDTVLQPAFMXROO-BFUOFWGJSA-N	405.336	3.742	10	20	HHCD	
Cc1ccc2nc(COc3ccccc3C(=O)NCc3ccc(O)c(O)c3)cn2c1	778919756	LSNNHJFJNCWAPC-UHFFFAOYSA-N	403.438	3.563	10	20	HHCD	
CN(CCC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1)C(=O)OC(C)(C)C	779597878	XWTVIDNWZNMOBU-UHFFFAOYSA-N	417.594	3.992	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3cnccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1	780811011	WFTHBJODKGTKGE-UHFFFAOYSA-N	424.407	3.683	10	20	HHCD	
CCCN(CC)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1	781270697	NTALZVUROINXJB-UHFFFAOYSA-N	408.546	3.844	10	20	HHCD	
COc1cccc2c(NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c(C)cnc12	786776446	MMUUKQTWROFQPX-SFHVURJKSA-N	404.514	3.866	10	20	HHCD	
Cc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)c(O)c1O	787401047	TUIXMYJPOSITTB-UHFFFAOYSA-N	420.303	3.990	10	20	HHCD	
COc1cc(O)c(CN2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1OC	788381834	MXDLPZJKRULVPX-UHFFFAOYSA-N	412.511	3.582	10	20	HHCD	
Cc1ccc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1	788797069	CXOQELXWHRRHTQ-KRWDZBQOSA-N	404.461	3.802	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cnc(Br)c(Cl)c3)CC2)cc1	790303460	BMGWYCKZWOEASH-UHFFFAOYSA-N	424.726	3.859	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(Br)cc(F)c1OC	790415497	HHISZGCSGSIBJM-UHFFFAOYSA-N	404.257	3.666	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	793673835	IAAUDQYJHOVNFE-HNNXBMFYSA-N	401.938	3.677	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)cc1	799187324	PLXOIJMPYZWSNO-UHFFFAOYSA-N	414.512	3.897	10	20	HHCD	
COC(=O)c1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)o1	799927997	MPBNPRCOGKGXCG-AWEZNQCLSA-N	419.909	3.955	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(N2CCCCC2=O)cc1	810126176	DFNWWHDPVBWTQU-LJQANCHMSA-N	422.573	3.579	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](O)c1ccc(Cl)cc1	813488939	JQTJPKDMYZHFTR-HKUYNNGSSA-N	409.313	3.513	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNCC[C@]1(O)C[C@H]2CC[C@H]1C2	814171016	HKSFYOLRIKKOSA-PKWAYOAASA-N	419.157	3.948	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(C(N)=O)c3)c2C)cc1F	913330230	BYTTVRMWYQBWQU-UHFFFAOYSA-N	408.429	3.680	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(Cl)c3F)CC2)cc1	915313106	DNKRSBOVYSKLQY-UHFFFAOYSA-N	420.916	3.822	10	20	HHCD	
Cc1cc(CCNC(=O)C2CCN(C(=O)N3CCCC3)CC2)c(C)n1-c1ccccc1	915616601	DLRAGZWVYVTQGQ-UHFFFAOYSA-N	422.573	3.681	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1[N+](=O)[O-]	917709114	DQMOWHYMEUIUBR-GASCZTMLSA-N	401.438	3.586	10	20	HHCD	
Cc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	918117076	GHDAUCCHDLSAHN-GGAORHGYSA-N	420.557	3.743	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)Cc3cccc(F)c3)cc2F)C[C@@H](C)O1	918221713	RHVFRWHHOTVDCY-HZPDHXFCSA-N	403.473	3.920	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(Cl)c1	918294209	CPLGVSFEERULCE-QGZVFWFLSA-N	416.905	3.809	10	20	HHCD	
CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1C[C@H](C)O[C@H](C)C1	921202828	HADSEOSYHYTXRS-MZKRTTBSSA-N	401.595	3.769	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)CN(C)C(=O)OC(C)(C)C	1318504668	REGWFKICNYVJFE-QGZVFWFLSA-N	404.555	3.589	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1	1320384861	DEWNIJHPEPTGIU-KUHUBIRLSA-N	406.523	3.619	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cc4ccccc4s3)CC2)cc1	24088932	OENXSPBRGNEOPJ-UHFFFAOYSA-N	409.555	3.852	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3cnc4ccsc4c3=O)c2C)cc1	26018327	MIHBUIUFEKMRQK-UHFFFAOYSA-N	421.478	3.535	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccncc3)cc2F)C[C@@H](C)O1	117644040	DGMMGFHJSMBHIW-CBGDNZLLSA-N	412.509	3.881	10	20	HHCD	
Cc1cc(C(=O)COC(=O)/C=C\c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2	207180895	FWGRWFSRUZGDRE-VURMDHGXSA-N	407.422	3.898	10	20	HHCD	
CC[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)n1nnc(-c2ccc(Cl)cc2)n1	302814870	NOBIBMPJWKCUAV-IBGZPJMESA-N	412.925	3.669	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3noc(COC(C)C)n3)ccc21	461392173	YANKJLFHMDPBBG-OAHLLOKOSA-N	414.506	3.704	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C2CCN(C(=O)OCC(C)C)CC2)cc1	726137994	IPBSJFFACVTSFA-UHFFFAOYSA-N	403.567	3.996	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(F)c1F	726502737	DRQUAJWOHVEXGD-UHFFFAOYSA-N	400.347	3.750	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](COCC(C)C)c3ccco3)CC2)cc1	726617130	YGHHVZDRSOVCHQ-NRFANRHFSA-N	415.534	3.970	10	20	HHCD	
COCCN(CCN(C)C)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	729432169	PLBGYILPXOCUQP-UHFFFAOYSA-N	422.367	3.507	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1Br	732049002	GVSDNBPAVKZWIA-VIFPVBQESA-N	412.196	3.861	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)cc1	732734011	RXTSVNRQIDCCAR-UHFFFAOYSA-N	418.563	3.944	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1	734739469	DOORZMRQLUSNIQ-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(C)n1-c1cccc(C(C)C)c1	736269825	GXDYMTGNJPVNFW-FUHWJXTLSA-N	402.560	3.865	10	20	HHCD	
C[C@H]1CSCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	737713304	WKGZWZAXRYDNKH-LQELWAHVSA-N	412.627	3.693	10	20	HHCD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ccc(N2CCC(CO)CC2)cc1	739732563	APCYCVORFZIOTN-UHFFFAOYSA-N	411.933	3.889	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cc(F)ccc3Br)c2)CC1	739765224	FSRXICAQTUOESI-UHFFFAOYSA-N	420.282	3.542	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)s1	742333947	AXTVSXHQEWTCTF-NSHDSACASA-N	422.906	3.950	10	20	HHCD	
C[C@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1	743565732	XWXBHNCZSLNMLC-KRWDZBQOSA-N	406.486	3.739	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(-n4cccn4)cc3)CC2)cc1	743710577	RTRIGSIVMXIKHU-SFHVURJKSA-N	419.529	3.910	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-n2cncn2)cc1C	743807488	BKKRBQYZVUZOSG-UHFFFAOYSA-N	415.291	3.706	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1Br	743957840	CPXTYNWAIRGXIN-UHFFFAOYSA-N	417.303	3.597	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N3C[C@H](C)[C@H]3c3ccccc3)CC2)cc1	745350183	KDRAWGSNQLAMAQ-RDPSFJRHSA-N	422.573	3.610	10	20	HHCD	
CN(C)CCC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745903968	KUUFMBVLOLXPGJ-GOSISDBHSA-N	424.536	3.630	10	20	HHCD	
COCCN(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1	746475495	UYKUBWRPLRMSLG-SFHVURJKSA-N	400.519	3.651	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Nc1cc(F)c(I)c(F)c1	749337827	OUYFJOAZYHNJOW-UHFFFAOYSA-N	418.181	3.939	10	20	HHCD	
O=S(=O)(c1cnn(-c2ccccc2F)c1)N(Cc1ccccc1O)C1CCCC1	751355355	DDJKPFYZWZLEOD-UHFFFAOYSA-N	415.490	3.851	10	20	HHCD	
C[C@@H](NC(=O)Cc1ccc(Br)c(F)c1)c1ccc(N2CCOCC2)cc1	751716112	HCVIMHUPCYFLRB-CQSZACIVSA-N	421.310	3.845	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCOC3CCOCC3)c2C)cc1F	753529527	ZWVSKIRYKKMAMD-UHFFFAOYSA-N	417.477	3.853	10	20	HHCD	
CCOc1c(Cl)cc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1OC	753738451	KNJWFCMSMUNLSQ-UHFFFAOYSA-N	422.884	3.857	10	20	HHCD	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(O)n1	754515384	DGCNQTNXBGDPMM-GXDHUFHOSA-N	419.553	3.777	10	20	HHCD	
COc1cccc(-c2nc(C)c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)[nH]2)c1	755438814	FPMHYHJIZLWXAR-UHFFFAOYSA-N	420.513	3.503	10	20	HHCD	
O=C(Nc1cncc2ccccc12)C(=O)N(Cc1ccco1)Cc1ccccc1O	758963043	ARXHPHAZZGOTKS-UHFFFAOYSA-N	401.422	3.701	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1C	760659696	YHMGMJVMRRATFX-SFTDATJTSA-N	402.560	3.830	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCOc2ccc(F)cc21	761149346	HCUOZOKCTUNAOR-MRXNPFEDSA-N	404.825	3.863	10	20	HHCD	
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NCCc2ccc(O)c(O)c2)c1	761638985	ZDHVMAZDRNZRCT-UHFFFAOYSA-N	405.882	3.596	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1	761666482	ZOVBHTONBJIXBW-JTSKRJEESA-N	411.502	3.972	10	20	HHCD	
CCC[C@@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(C)C	763555426	SEOZUSVTBILMBD-LJQANCHMSA-N	413.541	3.631	10	20	HHCD	
COC(=O)[C@H](C)Cc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1	765346822	VHCQJLCLOQAKBO-GFCCVEGCSA-N	421.291	3.828	10	20	HHCD	
C[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(N2CCOCC2)cc1Cl	765404056	KBKUTOIHFSULMU-INIZCTEOSA-N	413.949	3.920	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C/c2ncccc2C(F)(F)F)SC1=S	765502201	PJAQQEHQAAHHEP-XFXZXTDPSA-N	404.435	3.947	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(-c4ncco4)cc3)cc2F)CC1	767128852	MGTOQYUXBWGYEU-UHFFFAOYSA-N	423.492	3.944	10	20	HHCD	
COc1ccc(N(Cc2ccc(C(C)C)cc2)CC2(O)CCS(=O)(=O)CC2)cc1	767417392	LFAGTPNESSKFNK-UHFFFAOYSA-N	417.571	3.765	10	20	HHCD	
Cc1cc(Br)cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	768199934	OPRBNNUMBNBJNP-UHFFFAOYSA-N	421.310	3.788	10	20	HHCD	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769671319	JXXXQHRBGSVPBL-SNVBAGLBSA-N	417.314	3.904	10	20	HHCD	
CCc1nc(-c2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)n[nH]1	771010755	ZONQNJCNYPISHI-LJQANCHMSA-N	406.486	3.561	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N(Cc1ccccc1)C1CC1	774386666	VQAWNINCJHSXJS-UHFFFAOYSA-N	405.542	3.827	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCc1ccc(Cl)cc1	774653486	KNWAYJRISBEPGO-UHFFFAOYSA-N	413.949	3.648	10	20	HHCD	
COc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2O)c(OC2CCCC2)c1	775030145	QXKUVSBDOYVDPE-UHFFFAOYSA-N	402.447	3.929	10	20	HHCD	
COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2cccc(Br)c2O)c1	775148052	WYVLQDWLUNROOP-GFCCVEGCSA-N	423.307	3.679	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCc2ccc(Cl)o2)cc1)C1CCCCC1	775231210	NICBNTJEUZTGEQ-UHFFFAOYSA-N	403.910	3.635	10	20	HHCD	
CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1C	776043153	ULFSXZAUDDOLCT-QGZVFWFLSA-N	411.550	3.654	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2cccc(Br)c2)CCOCC1	779507296	YRCXOIPQTAFKBG-FNORWQNLSA-N	418.287	3.696	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1	784031319	ZTSZQNPUMOEBBQ-UHFFFAOYSA-N	401.482	3.753	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)Cc3ccccc3Cl)cc2)CC1	786261402	FACJIVWUJZISRW-QGZVFWFLSA-N	413.949	3.504	10	20	HHCD	
C[C@H](NCCc1cncn1C)c1cc(Br)cc(Br)c1O	788257823	RAJNJQXGFLKUCS-VIFPVBQESA-N	403.118	3.544	10	20	HHCD	
CC(C)Oc1ncccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	790290186	FEJIVSRXTYNEGM-HOTGVXAUSA-N	401.482	3.552	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c(O)c1	792804214	MVGZIJOZNMVDLM-INIZCTEOSA-N	407.470	3.935	10	20	HHCD	
CC[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1O	797035397	CHGCQJZVWSGIKT-CQSZACIVSA-N	403.331	3.718	10	20	HHCD	
O=C(CN1CCC(n2cnnc2O)CC1)Nc1ccc(N=Nc2ccccc2)cc1	798194123	YJKQGXDOBTZGFE-UHFFFAOYSA-N	405.462	3.675	10	20	HHCD	
Cc1cc(C(=O)OCc2ncnn2CCF)c(C)n1-c1ccccc1Br	801234324	MYWMQCDRYYMMPD-UHFFFAOYSA-N	421.270	3.775	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1ccc(F)c(N2CCCNC2=O)c1	806805674	CNOKAEXMXPEAKG-UHFFFAOYSA-N	409.512	3.506	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)N1CC2(CCC2)c2c(F)cccc21	807511010	BYBNAUJCBQNDKH-UHFFFAOYSA-N	423.271	3.923	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCCO1	812433447	OSTAWQGLEGKTEI-IBGZPJMESA-N	410.493	3.919	10	20	HHCD	
CN(Cc1cc(Cl)c(F)cc1O)[C@@H](C(N)=O)c1cccc(Br)c1	816570518	XLGLXOKIKHYQJA-OAHLLOKOSA-N	401.663	3.606	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC12CCC2	816856789	PBRFDPLWVXYCNP-QKIRZYONSA-N	402.491	3.549	10	20	HHCD	
Cc1cc(C)c(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)n1	914722152	OECVJHQNFKPQHJ-UHFFFAOYSA-N	415.405	3.943	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N1CCc2ccccc2C1	916604566	IHUGIIYJAHMZJY-AUSIDOKSSA-N	423.557	3.530	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3ccc(OCC(C)C)cc3)CC2)cc1	917759087	CSIXIGXRMSSHBP-UHFFFAOYSA-N	418.559	3.631	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)cc1	920939641	GPDQCKNNJXQITG-UHFFFAOYSA-N	403.486	3.896	10	20	HHCD	
CNC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	1116276597	VFHIWCOIHFVOFH-UHFFFAOYSA-N	417.425	3.652	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@H]3C[C@H](O)c3cccs3)cc2F)CC1	1116448853	AVIORMHKQHFHHZ-RXVVDRJESA-N	403.567	3.727	10	20	HHCD	
Cn1cc([C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)c2ccccc2)cn1	1320063521	ADACDACPPHXTFO-JOCHJYFZSA-N	421.570	3.562	10	20	HHCD	
Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)n(C)n1	51971201	UDGLBOWFBRYQHX-UHFFFAOYSA-N	409.437	3.885	10	20	HHCD	
Cc1cc(-c2nc(-c3c(C)nc4sccn34)no2)ccc1NC(=O)C1=S=CC=C1	445626342	HTAWWEMZKIVFHQ-UHFFFAOYSA-N	421.507	3.946	10	20	HHCD	
COc1cc(Br)cc(CN[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1O	808437477	PJPKFEPQVMNNBK-KDOFPFPSSA-N	405.336	3.916	10	20	HHCD	
CNC(=O)Cn1ccc2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cc21	806307230	ZSWGJFBJGKEFQR-UHFFFAOYSA-N	421.284	3.721	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1Cl	806860652	UMQNQLMRFWBEMY-FOIQADDNSA-N	418.921	3.677	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2cccc(Br)c2)CC1	475958694	UGNXGUGYNQZFCX-UHFFFAOYSA-N	401.304	3.972	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)cc1	800011981	FVVZPKUZSLTMMJ-INIZCTEOSA-N	408.271	3.587	10	20	HHCD	
CN(C)c1cc(Br)cc(C(=O)NCCCSc2nccs2)c1	815590708	GJJJKWRVPKQVSN-UHFFFAOYSA-N	400.367	3.884	10	20	HHCD	
Fc1ccc([C@@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2nc[nH]n2)cc1	815584880	RNQPUUABBJWKGE-VQIMIIECSA-N	417.435	3.893	10	20	HHCD	
CC[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1O	810212731	WRGWXPCEEWXTJU-SFHVURJKSA-N	408.468	3.799	10	20	HHCD	
CCC(CC)(OC)c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1	810338714	IHXMSXSYLABBKL-UHFFFAOYSA-N	423.516	3.966	10	20	HHCD	
COCc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1	727247807	OESKFRHYBHTVQD-UHFFFAOYSA-N	419.484	3.974	10	20	HHCD	
C[C@H](NS(=O)(=O)/C=C/c1ccccc1Cl)c1ccc(N2CCOCC2)cc1	727458482	ZSEMEAZMUVRDAJ-KMPOOHAWSA-N	406.935	3.828	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	820006438	XUYZQZNAVCNSFE-UHFFFAOYSA-N	407.474	3.592	10	20	HHCD	
Cn1nc(Br)c2c(NCc3ccc(N4CCCCC4)cc3)ncnc21	728051635	YXXWNDZXIYKDOU-UHFFFAOYSA-N	401.312	3.728	10	20	HHCD	
CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	728471247	YNWGSQXFIDYYMZ-SFHVURJKSA-N	420.513	3.599	10	20	HHCD	
COCCc1noc(COC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)n1	728992183	YXROZVYGXOBPPL-UHFFFAOYSA-N	403.866	3.605	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)cc1)C1CCCCC1	735878166	QCKPKUSPRFXNQZ-AREMUKBSSA-N	421.585	3.709	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC(C)(C)c3ccc(F)cc3)cc2F)CC1	730127520	AWHNXOULTLQTMG-UHFFFAOYSA-N	416.516	3.841	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(Oc4ccncc4)c3)ccc21	737165189	ACOXKJRNIKROCZ-UHFFFAOYSA-N	416.481	3.511	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)c(C)n1-c1ccccc1Br	730774461	TZYZDFVDDYHUIY-OAHLLOKOSA-N	402.336	3.823	10	20	HHCD	
Cc1ccc(-c2nnco2)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	736986590	RGNDPSQQBJQWOT-GOSISDBHSA-N	408.458	3.964	10	20	HHCD	
CC(C)[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1	918201728	MAECEGRAFIGGLU-NRFANRHFSA-N	414.525	3.598	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1	914839544	QWNRJAXZTYXMDU-UHFFFAOYSA-N	420.488	3.634	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)ccc21	746879979	OIZVFFGIVUARCN-FQEVSTJZSA-N	406.530	3.629	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1F	740906964	KHEPMPNOKVRTNY-IBGZPJMESA-N	407.436	3.891	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C	745859676	CRKOMDMEGGLOLR-OIISXLGYSA-N	411.340	3.890	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H](OC)c3ccc(Cl)cc3)CC2)cc1	743657309	PVJGRPMXGXNHJW-NRFANRHFSA-N	417.937	3.958	10	20	HHCD	
Cc1cc2c(cc1C)O[C@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)C2	742556291	FYIHDPNJWWJONJ-MFEFFIJZSA-N	412.505	3.676	10	20	HHCD	
CC(C)OCCN1CCC(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	747621990	ISKAPDQLDPFZKF-UHFFFAOYSA-N	404.555	3.564	10	20	HHCD	
O=C(COc1ccc2ccccc2c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970580	NDRPBXBDXRTWRM-UHFFFAOYSA-N	408.473	3.635	10	20	HHCD	
O=C(NCCc1cc(Cl)c2c(c1)OCCO2)NCc1c(O)ccc2c1CCCC2	743507495	VZFPKMTYXLUUAG-UHFFFAOYSA-N	416.905	3.738	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cn2)n1	916679973	BROKUHOIOHHGBN-FQEVSTJZSA-N	421.501	3.803	10	20	HHCD	
O=C(Nc1cnn(Cc2ccccn2)c1)N(Cc1ccco1)Cc1ccccc1O	746728427	OGMOXBMDWACQEY-UHFFFAOYSA-N	403.442	3.859	10	20	HHCD	
CCOC(=O)N1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1	914455840	COLMVVGAURZFEN-IBGZPJMESA-N	413.518	3.743	10	20	HHCD	
Cc1ccc(SCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1	919970418	ARNKJXROECMDJZ-UHFFFAOYSA-N	402.535	3.812	10	20	HHCD	
Cc1nccn1-c1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1F	740910360	WPVQRBFLUCOHFJ-UHFFFAOYSA-N	405.477	3.695	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2c(C)noc2n1	742805767	NUZAXOAVHIWCLV-AWEZNQCLSA-N	416.428	3.840	10	20	HHCD	
O=C(/C=C/c1cccnc1)N1CCCN(C(=O)/C=C/c2cccnc2)c2ccccc21	741938284	WZNBGCTWXLMAJR-DCIPZJNNSA-N	410.477	3.973	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCCCSc2nccs2)ccc1C(F)(F)F	749731680	XXZMAXNSVPPKTK-UHFFFAOYSA-N	403.451	3.707	10	20	HHCD	
COC1CCC(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	754161691	XCKPJGLZIUZVKQ-ZVBHREPYSA-N	421.557	3.834	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)c(C)n1-c1cccc(F)c1	750962170	XXWSWJRPRJBQOX-UHFFFAOYSA-N	409.461	3.527	10	20	HHCD	
Cc1ccc([C@H](NC(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)c2cccs2)cc1	759588857	OYGCDOGTWGAHER-BVRWQAIYSA-N	423.490	3.930	10	20	HHCD	
Cc1oc2c(CN3CCO[C@H]([C@H]4CCCO4)C3)c(O)ccc2c(=O)c1-c1ccccc1	756864320	XAOPVPBSAGEMCL-YADHBBJMSA-N	421.493	3.854	10	20	HHCD	
CCOC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)o1	751513175	OVMNZRZGYIKOGZ-WJDWOHSUSA-N	402.497	3.928	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1	753195171	NQRNQYVQWKHPED-QGZVFWFLSA-N	402.560	3.697	10	20	HHCD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	755610683	WFYFSRHSPVZZPB-QFBILLFUSA-N	413.949	3.537	10	20	HHCD	
COc1cc(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)cc(OC)c1OC	759872750	OFFKMJVMGGXYNJ-UHFFFAOYSA-N	421.881	3.596	10	20	HHCD	
Cc1cc(C(=O)NCCC2(C)OCCO2)c(C)n1-c1ccc(Br)cc1	759246389	UNQPSHFJXZVXRI-UHFFFAOYSA-N	407.308	3.740	10	20	HHCD	
CCNC(=O)COc1ccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)cc1OC	756433801	PANRHQMBYWCYBU-MRXNPFEDSA-N	412.530	3.645	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(F)ccc1OC(F)F	760070009	CPHZALKBGLYRDG-UHFFFAOYSA-N	423.435	3.958	10	20	HHCD	
COc1ccc(-c2noc([C@H](C)N[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1	768500630	UBTDGWVEDAXOJU-IRXDYDNUSA-N	408.502	3.994	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@H](Nc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	764356489	GLZXKVOIASOJKE-UGKGYDQZSA-N	408.546	3.870	10	20	HHCD	
COc1ccc(Br)c(CC(=O)NCc2ccc(N3CCCC3)cc2)c1	768560782	SDECPTGSSLZQBZ-UHFFFAOYSA-N	403.320	3.917	10	20	HHCD	
COc1ccc(-n2ccc(CN[C@H](C)c3ccc(N4CCOCC4)c(F)c3)n2)cc1	765755057	CFINFAJBBWMMDE-QGZVFWFLSA-N	410.493	3.707	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)c(C)n1-c1ccc(Br)cc1	762549305	UIUMDXOKZDZPCP-ZJWNCGCPSA-N	423.376	3.697	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1O	768226886	QBQFGNVYOWGUIR-CYBMUJFWSA-N	405.886	3.651	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccccc3N(C)C3CCCC3)ccc21	762442721	ITFMULKSEMZCGD-UHFFFAOYSA-N	420.557	3.703	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cc(F)cc(C(F)(F)F)c2)SC1=S	772801543	VQADWDDXOPWFOL-GHXNOFRVSA-N	407.410	3.999	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3c3noc(C(C)C)n3)c2C)cc1	779692686	COAXVWAEPGCUJM-HXUWFJFHSA-N	424.501	3.823	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](C)[C@@H](OC)c3ccccc3F)CC2)cc1F	775776535	CYHKHJRCLMFNFP-QVKFZJNVSA-N	419.472	3.581	10	20	HHCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccncc2)cc1	779519884	FOOADRJXXUENRG-RUFWOKOUSA-N	403.438	3.636	10	20	HHCD	
COC(=O)C[C@](C)(NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccncc1	777352948	LSMFTCDEFLATKB-DEOSSOPVSA-N	421.497	3.706	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCN(c3cccc4cnccc34)C[C@H]2C)c1O	775201271	DDMVQHHXKROXRC-OAHLLOKOSA-N	408.458	3.568	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCC(F)(F)C1	776718441	HAXJLZULOVDDKS-FMIVXFBMSA-N	402.513	3.597	10	20	HHCD	
CC(=O)c1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2Br)cc1	777473883	MCJFWZLOJFDSLY-UHFFFAOYSA-N	409.265	3.873	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	773744219	PZRYWRNKYDHQGW-JFIYKMOQSA-N	420.550	3.818	10	20	HHCD	
CSc1cccc(C)c1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	770718212	GIPYWGIFPPDVDM-KRWDZBQOSA-N	414.527	3.569	10	20	HHCD	
C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(N(C)C)cc1	775403879	LBYKBBVSJLPFBS-AWEZNQCLSA-N	406.935	3.590	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(Cc4cccc(F)c4)CCC3)cc2)C1	775806353	HSHASYUKCWJKBK-FQEVSTJZSA-N	423.532	3.557	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(C4CCC4)cc3)CC2)cc1	787482490	ZUSUMNBLNIPSSV-UHFFFAOYSA-N	407.514	3.686	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1	784559888	JELCICURVZBNGH-KRWDZBQOSA-N	406.482	3.705	10	20	HHCD	
COc1c(F)cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1F	782895471	DTCOIKONLDRAOK-UHFFFAOYSA-N	418.440	3.979	10	20	HHCD	
Cc1c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1C1CCCCC1	781305882	WNNOTLGUECATOE-UHFFFAOYSA-N	412.534	3.578	10	20	HHCD	
O=C(CN(Cc1ccco1)c1cccc(Cl)c1)OCC(=O)c1ccc(O)c(O)c1	785880317	MEIFQZYVXWRXNC-UHFFFAOYSA-N	415.829	3.777	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)nn1-c1ccccc1	784108658	JASISFNNISZOPP-UHFFFAOYSA-N	417.513	3.925	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H]1CCC2(CCCCC2)O1)c1ccc(N2CCOCC2)cc1	790249020	JEUDXZZYXUNZTR-NQIIRXRSSA-N	401.551	3.765	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Br)c1	797448416	QZZGMGSPJZFGIX-SECBINFHSA-N	420.712	3.856	10	20	HHCD	
CC(C)Cc1ncc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1	792351649	BGCYYIPQYHNHGQ-UHFFFAOYSA-N	410.518	3.681	10	20	HHCD	
CC(C)COC(=O)N1CCC(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	796696374	SPJPERCSGQJGLH-QZTJIDSGSA-N	421.557	3.786	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(F)cc(F)c(F)c1F)c1ccc(N2CCOCC2)cc1	797437752	QCORLRUTKHPTNN-GFCCVEGCSA-N	411.399	3.640	10	20	HHCD	
C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1	793936313	FSNPLYOZRGXOKP-SFHVURJKSA-N	411.521	3.694	10	20	HHCD	
CCOc1ccc(N2CCN(S(=O)(=O)Cc3ccc(C(F)F)cc3)CC2)cc1	1324207286	MBSJSOHZVQEDNJ-UHFFFAOYSA-N	410.486	3.675	10	20	HHCD	
Cc1cc(C(=O)OCc2cc(=O)n3c(C)csc3n2)c(C)n1-c1ccc(F)cc1	5623254	SWTOEMKKIUACQQ-UHFFFAOYSA-N	411.458	3.968	10	20	HHCD	
COc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	16554709	WRTWSLPTIUXGFW-UHFFFAOYSA-N	414.461	3.541	10	20	HHCD	
C=CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nnc1-c1ccccc1	7731380	OYIVMGJNZXMQSR-UHFFFAOYSA-N	407.543	3.606	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nc(C3CC3)nn2-c2ccccc2)cc1	10092241	RCCOIQNIDSODGJ-UHFFFAOYSA-N	407.543	3.619	10	20	HHCD	
C[C@H](Sc1nnc(C2CC2)[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	11474056	ZPHDYOPFOVHXGU-NSHDSACASA-N	418.478	3.577	10	20	HHCD	
CCn1c(SCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nc2ccccc21	16134630	OBXLZDCXMZCRBV-UHFFFAOYSA-N	424.570	3.644	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CN(Cc1cccnc1)c1ccccc1	437019322	NVSFHPKMRUVJMI-UHFFFAOYSA-N	402.498	3.580	10	20	HHCD	
COc1ccc(OC)c(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)c1	546226264	LVBBDROHMSIDBJ-UHFFFAOYSA-N	421.478	3.945	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(Cc4ccccc4)c3C)CC2)cc1	726561801	SJEVOVDMHZAOHH-UHFFFAOYSA-N	404.514	3.647	10	20	HHCD	
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	727850817	KAPXJYKQLMVTDY-FCHUYYIVSA-N	422.573	3.599	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(OCCN(C)C)CC2)c(C)n1-c1ccc(Cl)cc1	732678485	GOHABENRCQPTCX-UHFFFAOYSA-N	417.981	3.859	10	20	HHCD	
CSc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1	732861376	OBPOQMLCNWCZFZ-UHFFFAOYSA-N	421.430	3.572	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1SCC(=O)N1CCCC1	734407426	UWKKMCAIQKBLQI-UHFFFAOYSA-N	411.571	3.706	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(COCc2ccco2)c1	734701533	CVSNEBOOEFHREI-UHFFFAOYSA-N	421.497	3.626	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1nn(-c2ccccc2)c2c1CCC2	738299956	RPKLWFBTFCAPGK-UHFFFAOYSA-N	402.542	3.830	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cc(F)ccc2N2CCOCC2)cc1	740907310	OVDLKIFZYZJLIX-UHFFFAOYSA-N	414.525	3.508	10	20	HHCD	
Cc1cc(Br)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)s1	742272404	ZPUKXHZHKXEJAO-UHFFFAOYSA-N	403.367	3.706	10	20	HHCD	
Cc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(N4CCC(C)CC4)cc3)C2=O)cc1	743599865	JJPQBAJHWPOCSF-HSZRJFAPSA-N	420.557	3.836	10	20	HHCD	
Cc1nccn1CCCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	743631421	RWLZLQWHMIXQPG-UHFFFAOYSA-N	421.492	3.541	10	20	HHCD	
O=C(CN1CCC[C@H]1CN1CCOCC1)Nc1ccc(N=Nc2ccccc2)cc1	744412186	DKIJPDSKBIJJKN-QFIPXVFZSA-N	407.518	3.837	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)c1	751325613	LAXAMAATOSOHHT-VIFPVBQESA-N	406.287	3.756	10	20	HHCD	
CC(C)(C)[C@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	753228834	OYYMABYEOCWDCA-ZDUSSCGKSA-N	408.545	3.763	10	20	HHCD	
COc1ccc(N2CCN(C(=S)Nc3ccc(OC(F)F)cc3)CC2)cc1F	753961133	IFPXRXNXIYVTMR-UHFFFAOYSA-N	411.449	3.955	10	20	HHCD	
Cc1csc([C@@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	754159040	KRZQAZGPHRPJCQ-CWRNSKLLSA-N	420.554	3.807	10	20	HHCD	
C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc2ccccc2c1O	756480153	RIRQZWCPRYMQLU-AWEZNQCLSA-N	404.919	3.828	10	20	HHCD	
C[C@@H](Cc1cnccn1)N[C@@H](C)c1cc(Br)cc(Br)c1O	756493754	HJYFWSZUGZVUFY-UWVGGRQHSA-N	415.129	3.989	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)cc(F)c1O	757654910	DEISHKIDVJOWHZ-PXAZEXFGSA-N	422.298	3.531	10	20	HHCD	
O=C([C@H](Cc1ccccc1)NCc1cc(-c2ccccc2)ccc1O)N1CCOCC1	764979026	CFWMVQXLEKYXDZ-DEOSSOPVSA-N	416.521	3.619	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(N2CCCC2=O)cc1	765215963	XADHUHQOQBEDIV-UHFFFAOYSA-N	404.264	3.603	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	766248650	NNGNSOWNASOKRX-UHFFFAOYSA-N	423.425	3.678	10	20	HHCD	
CCN(CC)c1ccc(CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1	768264436	PCASRLNEYCLBRN-UHFFFAOYSA-N	419.566	3.615	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)n2)cc1	768847065	CBMHRESUCMJSJR-UHFFFAOYSA-N	411.486	3.979	10	20	HHCD	
O=C1CCCCN1[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769339438	YXFHIMONQBGHCO-IBGZPJMESA-N	400.523	3.562	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O	769401521	LHCZFDPTRUOYEK-OAQYLSRUSA-N	417.912	3.553	10	20	HHCD	
Cc1ccc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)c(O)c1O	770506263	OSOQBHZFRWIEQB-UHFFFAOYSA-N	402.248	3.666	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccc(N(C)C)cc1)C(C)C	771790805	HBBNPMBLINIMGC-UHFFFAOYSA-N	414.506	3.909	10	20	HHCD	
CNC(=O)c1cccc(NCc2cc(Br)cc(Br)c2O)c1	775749828	LWFDEMCIMYANLO-UHFFFAOYSA-N	414.097	3.889	10	20	HHCD	
CCN(C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1)CC(F)(F)F	776250269	TWHKLXZNKCNXMY-JKSUJKDBSA-N	400.489	3.729	10	20	HHCD	
Cc1cc(C)cc(-n2nc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2C)c1	777287707	NEIQLYUCGWUBCG-UHFFFAOYSA-N	418.541	3.906	10	20	HHCD	
C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779490060	WNOCTKMYURMDDE-SOIVGHGOSA-N	409.511	3.626	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(CCCN3CCOCC3)CC2)cc1	779979629	CYQQVTOZYWQFNH-UHFFFAOYSA-N	416.610	3.567	10	20	HHCD	
COCC[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccco1	780049128	SHJWTYCPFKRLLM-SFHVURJKSA-N	423.460	3.927	10	20	HHCD	
Cc1noc(C2(C)CCN(Cc3c(O)ccc(C(=O)c4ccccc4)c3O)CC2)n1	781151207	YFSWBEDRKIDDPC-UHFFFAOYSA-N	407.470	3.574	10	20	HHCD	
O=C(COC(=O)c1cc(Br)cc(C(F)(F)F)c1)c1ccc(O)c(O)c1	784367769	QHTCIYMEWVUZAD-UHFFFAOYSA-N	419.149	3.919	10	20	HHCD	
Fc1cc(CNCc2cc(Cl)cs2)ccc1N1CCN(c2ncccn2)CC1	785437207	UBLLSWCZHUFCFD-UHFFFAOYSA-N	417.941	3.947	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)c1ccccc1C(F)(F)F	785445260	VKAIYCDBKWBADG-CABCVRRESA-N	421.463	3.696	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(OCCOC(C)C)c1	788783270	DUINTAVLXHXXKX-UHFFFAOYSA-N	412.530	3.811	10	20	HHCD	
C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCCSc1nccs1	789090399	LGPLVRFRIGJMLJ-AWEZNQCLSA-N	420.560	3.985	10	20	HHCD	
CN(C)c1ccc(CNCCCS(=O)(=O)c2ccccc2)c(C(F)(F)F)c1	792945441	LDEPZFAFIIKYAG-UHFFFAOYSA-N	400.466	3.725	10	20	HHCD	
COc1ccc(CNC(=O)CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(O)c1	794388033	MURMEOGTSPNSBI-ZXFUBFMLSA-N	404.507	3.585	10	20	HHCD	
CC[C@@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccc(F)cc1O	796994796	VNGDDUUKECRYOH-XXBNENTESA-N	411.477	3.997	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(O)c1	797622659	ZZEGAKKJGRMGNN-UHFFFAOYSA-N	408.336	3.791	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3c[nH]nc3-c3cnn(C)c3)cc2Cl)C1	800570001	FLRGATVHQKSPMX-AWEZNQCLSA-N	412.925	3.630	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1	801617972	QVTFWWVIGKJJQF-UHFFFAOYSA-N	410.474	3.625	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cc(OC)c(OC)cc2OC)cc1	807165136	DHGFZKGGJODUOC-UHFFFAOYSA-N	415.534	3.900	10	20	HHCD	
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O	807839326	CACODRSGTQBLOH-KRWDZBQOSA-N	409.313	3.843	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1O	808677972	HGZSCYBXFRYARH-WBVHZDCISA-N	401.938	3.907	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(-c2ccccn2)cc1	810351624	RBVBZYNBPZAXCF-UHFFFAOYSA-N	402.498	3.802	10	20	HHCD	
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1	811704090	UDOMLYFXNTVBFM-UHFFFAOYSA-N	414.867	3.988	10	20	HHCD	
CCOCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1O	812201385	RNYKPJNYXQYIRN-UHFFFAOYSA-N	401.898	3.762	10	20	HHCD	
O=S(=O)(Cc1ccc(C(F)F)cc1)NCc1cccc(Br)c1O	815039293	TXIWWWXLOAXGGS-UHFFFAOYSA-N	406.248	3.712	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3CCC(OC[C@H]4CCCO4)CC3)CC2)cc1	815258091	GUDYKAYDLBHJOG-UWFXLKAESA-N	416.562	3.535	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1	915765804	YPVZZZIBJAKBQB-UHFFFAOYSA-N	402.458	3.818	10	20	HHCD	
CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	916667728	XNJFXTVNGVJJBC-MRXNPFEDSA-N	415.519	3.895	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1	917513899	LOPAGUGELURWSG-UHFFFAOYSA-N	410.543	3.699	10	20	HHCD	
CC(C)c1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	917837210	VLQBQKQZJBXNHL-NQIIRXRSSA-N	423.557	3.595	10	20	HHCD	
COc1cc2ccccc2cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919968471	RIBAHAAOYZIEAG-UHFFFAOYSA-N	404.510	3.987	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CN2CCCC2=O)c(C)n1-c1ccccc1Br	920292998	REOGKJGXGJAZMN-ZDUSSCGKSA-N	418.335	3.597	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)[C@@H]2CCOC2)c(C)n1-c1ccc(OC(F)F)cc1	921216300	YDMXPONXBVPTRQ-HUUCEWRRSA-N	407.413	3.846	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1cccc(CC(C)C)c1	1117114952	XZUWCRXVNAOBOE-JXFKEZNVSA-N	413.514	3.690	10	20	HHCD	
Cc1csc(CCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	1318173301	JTFYMUYLJZAZKN-IYBDPMFKSA-N	420.554	3.636	10	20	HHCD	
COc1cccc(CNCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O	237371805	GHOAHHGFMQLAJQ-UHFFFAOYSA-N	423.479	3.722	10	20	HHCD	
OC1CCN(c2ccc(CNc3cncc(OCC4CCCC4)n3)cc2F)CC1	302246347	SULDHLUKYMAGRS-UHFFFAOYSA-N	400.498	3.758	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(C)n1-c1ccccn1	726176848	GTDHHDOKASSEAA-IBGZPJMESA-N	421.476	3.664	10	20	HHCD	
CCOc1ccc(SCC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726562366	LFXHTHVZIABLKW-UHFFFAOYSA-N	400.544	3.971	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3ccc(OCC(C)C)cc3)CC2)cc1	726601194	IVPCGLREYDDEEA-UHFFFAOYSA-N	418.559	3.677	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(OCCC(C)C)CC3)CC2)cc1	726712986	IKHRDNSIGBJEBC-UHFFFAOYSA-N	403.567	3.901	10	20	HHCD	
CSc1n[nH]c(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1	727486583	NABDAAPMIWDUPV-UHFFFAOYSA-N	406.309	3.949	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N3CCc4ccccc43)ccc21	728476821	YJSYDMOPUIZBRD-UHFFFAOYSA-N	406.482	3.651	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O	732469222	BTZRWSJRRWKZEV-QGZVFWFLSA-N	401.894	3.773	10	20	HHCD	
Cc1sc(=O)n(CCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1C	734321633	TYBIIRYMUMIMKU-UHFFFAOYSA-N	415.481	3.574	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1	734402918	SCKBNVIOCCLMDS-UHFFFAOYSA-N	421.501	3.761	10	20	HHCD	
Cc1cccc2c(=O)n(CCC(=O)N(Cc3ccco3)Cc3ccccc3O)cnc12	735927692	XTZYDWFGKFNGDT-UHFFFAOYSA-N	417.465	3.623	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cc(-n3cccn3)ccn2)c(C)n1-c1cccc(F)c1	736846764	IHMZINCTCGCFOV-UHFFFAOYSA-N	418.428	3.854	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccccc2S(C)(=O)=O)cc1)C1CCCCC1	742417039	PSEZTGYETRDANO-UHFFFAOYSA-N	400.544	3.789	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cc1	742497417	IDUQBKIOPNXLFR-UHFFFAOYSA-N	414.937	3.988	10	20	HHCD	
COc1cccc(OC)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743736342	PEWBRZRQLRAYJL-AWEZNQCLSA-N	406.429	3.704	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)c(C)c2ncccc12	743888777	DOKSJGOSQAANAX-UHFFFAOYSA-N	404.514	3.905	10	20	HHCD	
COCCN(CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc(OC)c(OC)c1	746474880	NVPRBFAFGXLTOL-MRXNPFEDSA-N	404.482	3.515	10	20	HHCD	
Cc1cc(CC(=O)NCC(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)cc1	746787751	OHSDQMLEDINCRT-UHFFFAOYSA-N	401.938	3.855	10	20	HHCD	
O=C(CCc1nc(-c2cc(Br)cs2)no1)NCc1ccccc1O	748347414	ZLBAHIKQTIGKFH-UHFFFAOYSA-N	408.277	3.515	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3cn(CC(C)C)cn3)sc2C)cc1	748636355	JPQVLGJFABAKLR-UHFFFAOYSA-N	406.533	3.780	10	20	HHCD	
O=C(c1ccc(=O)n(-c2cccc(F)c2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	751389227	WIDYLZCVSOARJP-OAQYLSRUSA-N	422.456	3.504	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H](Oc2ccccc2Cl)C1	752099197	BPJNOWFQMRXCPG-LJQANCHMSA-N	401.938	3.518	10	20	HHCD	
COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)cs1	755737865	VAHNOAVFXVZLFA-UHFFFAOYSA-N	415.905	3.507	10	20	HHCD	
COc1cc2c(cc1OC)CN(C(=O)CCCN[C@H](C)c1ccc(F)cc1O)CC2	756709496	XQJWJINQUQPUFD-OAHLLOKOSA-N	416.493	3.564	10	20	HHCD	
Cc1cc(F)cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1[N+](=O)[O-]	758424561	ZHDVHNYHBOHZPM-KBPBESRZSA-N	419.428	3.725	10	20	HHCD	
CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2cccc(O)c2O)cs1	758572771	NGRHOPPEVLHABQ-UHFFFAOYSA-N	402.403	3.735	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	759603602	ZAPNABPOONOVPA-UHFFFAOYSA-N	422.532	3.787	10	20	HHCD	
C[C@@]1(c2ccccc2)CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1	759726132	CVEAEBTWUZZIDI-QHCPKHFHSA-N	411.571	3.697	10	20	HHCD	
C[C@@H](NCCc1ccn(C)n1)c1cc(Br)cc(Br)c1O	760897112	PEDVHLUPDBEOJE-SECBINFHSA-N	403.118	3.544	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)c1	762654032	AGRBOVZCWQZGDI-GJZGRUSLSA-N	402.491	3.657	10	20	HHCD	
CCc1nc(C)c([C@H](C)NCCCN2CCN(c3ccc(OC)cc3)CC2)s1	764675745	JAFYGPQFVVDINM-KRWDZBQOSA-N	402.608	3.885	10	20	HHCD	
CC(C)[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)NC(=O)OC(C)(C)C	766028026	RZTUOZMHVWUBHG-QFBILLFUSA-N	409.546	3.862	10	20	HHCD	
COC(=O)c1cn(C2CN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)nn1	767500665	DZPGRODHZJVGQD-UHFFFAOYSA-N	405.418	3.569	10	20	HHCD	
COc1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1	768018530	YXDDIWYYQHNWNN-UHFFFAOYSA-N	423.966	3.680	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	773740706	OICYNBXWIOJAIX-MAUKXSAKSA-N	414.502	3.801	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(OCCN3CCCC3)c(C)c2)c1O	774936340	RQOKNHZQBQNDSN-UHFFFAOYSA-N	401.463	3.704	10	20	HHCD	
Cc1ccccc1CNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	775125198	GNVKLXWQOBZRLF-MRXNPFEDSA-N	413.949	3.817	10	20	HHCD	
COc1cccc(OC)c1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2	775139950	OWJSDPUXVRUXQG-UHFFFAOYSA-N	404.469	3.521	10	20	HHCD	
Cc1ccccc1-n1nccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	775362847	ILSXOAKPHUBTFR-GOSISDBHSA-N	405.502	3.900	10	20	HHCD	
C[C@H](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1	775833783	MBZQLUQNBWYGJF-LAUBAEHRSA-N	409.530	3.538	10	20	HHCD	
COc1cc(O)c(CNCCOc2ncc(C(F)(F)F)cc2Cl)cc1OC	776209048	IJVPZWZYABEXSA-UHFFFAOYSA-N	406.788	3.645	10	20	HHCD	
C[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc2N1C(=O)/C=C/c1cccnc1	776972787	AXVRDACHVGRXFJ-SNTGEUONSA-N	410.477	3.972	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H]1C1CCOCC1	777741005	KESTXDWVHGKZHC-FXAWDEMLSA-N	423.504	3.857	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCOc1ccccc1F	777826391	MHDDYZYQYUSZDX-UHFFFAOYSA-N	409.841	3.546	10	20	HHCD	
O=C(OCc1ccc(Cl)nc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785412032	FPBTWEQJAOHPQI-UHFFFAOYSA-N	424.887	3.660	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccnn3-c3ccccc3)cc2F)C[C@@H](C)O1	791527872	VYLKJDHXBYQNBK-CALCHBBNSA-N	408.477	3.555	10	20	HHCD	
Cc1c([C@H](C)NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)oc2ccccc12	793623567	BOQLRMHFDSWAGI-INIZCTEOSA-N	405.498	3.617	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(CCO)Cc3cccnc3Cl)ccc21	794323992	JFCAMPSTQVLRJN-UHFFFAOYSA-N	415.921	3.588	10	20	HHCD	
OC[C@H](C[C@H](O)c1ccccc1)NCc1ccc2c(c1)CCN2Cc1ccccc1	796338829	PZWVKHJBFBYHJM-AHWVRZQESA-N	402.538	3.824	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CC=C(c4cccc(Cl)c4)CC3)nc12	796459311	NZUOMRZFGDBOMG-UHFFFAOYSA-N	412.877	3.554	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c(O)c1	797617615	HTTYPNZVTLFBJB-UHFFFAOYSA-N	419.481	3.695	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3nn(-c4ccc(F)cc4)cc3C)CC2)cc1	800877572	OPGOZYJARHLZNY-UHFFFAOYSA-N	408.477	3.727	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1	802079177	COURFFDATZHSQF-UUOWRZLLSA-N	421.545	3.757	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@H](C)C1	802335383	ZKUHYPQWYKJCTD-HDICACEKSA-N	409.534	3.613	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@H]3CCC(C)C)CC2)cc1	804316284	ACLYQYKCNVLRDK-PGRDOPGGSA-N	415.578	3.501	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(Oc2cccnc2)cc1	808929692	JZDKICUCCSWIAX-UHFFFAOYSA-N	414.512	3.568	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)C2CC2)cc1	809195429	JNOZHKZAQLFPEE-TZIWHRDSSA-N	423.532	3.835	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCO1	812436256	FCGHCYCLJPDQAH-HXUWFJFHSA-N	410.493	3.919	10	20	HHCD	
COc1cc(Cl)cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1O	814177848	RCGUBSPFZPLJGX-AWEZNQCLSA-N	404.663	3.779	10	20	HHCD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCc1cccc(Br)c1O	816496551	OBEITGWDHDNGQB-LBPRGKRZSA-N	400.276	3.593	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCCN(CC(F)(F)F)CC3)c2C)cc1	915265248	ALUFHUGUJLOSDE-UHFFFAOYSA-N	409.452	3.813	10	20	HHCD	
Cc1cc(CCNC(=O)N[C@@H](C)c2nnc3ccccn23)c(C)n1-c1ccccc1	916221248	VEEOAZHRJMTOLH-KRWDZBQOSA-N	402.502	3.740	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n2nc(C)cc2n1	917645339	KARPMJXUUAIBCM-UHFFFAOYSA-N	403.486	3.848	10	20	HHCD	
COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c1	917898129	PRZTXBZUFRTZOK-UHFFFAOYSA-N	424.475	3.776	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2)C1	918117770	INQKWCBVOYKAIP-SIKLNZKXSA-N	424.520	3.574	10	20	HHCD	
CC(C)Oc1cccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	918223082	DHUXAWSDRFUFIC-UHFFFAOYSA-N	411.546	3.682	10	20	HHCD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	920495746	AMBLGDKVVQQXEC-YJBOKZPZSA-N	416.499	3.989	10	20	HHCD	
CCN(CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)c1ccc(OC)c(OC)c1	921061577	HEVMMKNKIXRCNF-MRXNPFEDSA-N	416.518	3.733	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c1	1251976185	LAVIVIOANYLZRJ-GOSISDBHSA-N	415.965	3.978	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1	1321733291	YHUWBXAJWVIWFY-UHFFFAOYSA-N	409.578	3.915	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1	1324137159	YGRXIYBCNCSTGB-NBUZRDOWSA-N	424.280	3.708	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)C3=COCCC3)C2)cc1	1846409006	NOJAFPMMDILSNZ-UHFFFAOYSA-N	419.525	3.605	10	20	HHCD	
Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	109179849	GQUUCTYGNMHHGZ-QGZVFWFLSA-N	405.498	3.907	10	20	HHCD	
Cc1ccc(-n2cc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)cn2)c(C)c1	472802979	KGKULSBESBSWSH-UHFFFAOYSA-N	415.497	3.544	10	20	HHCD	
O=S(=O)(Nc1cc(Br)c(F)cc1F)c1cccc2nsnc12	525967823	NTSCHIJZAMHVGT-UHFFFAOYSA-N	406.233	3.533	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)CC2)cc1	726560782	MXFKJSLXSKZEMM-INIZCTEOSA-N	400.906	3.685	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccccc3N3CCCC3=O)CC2)cc1	726694579	PFRUJQYKOCBZEY-UHFFFAOYSA-N	408.502	3.613	10	20	HHCD	
Cc1nc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc2o1	731131204	HENZWKXKFBOFLU-UHFFFAOYSA-N	406.486	3.627	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3CCc4ccccc43)cc2F)C[C@@H](C)O1	732451488	WNVSBAGQPAEICO-MBOZVWFJSA-N	411.521	3.969	10	20	HHCD	
Cc1cc(CC(=O)NCCS(=O)(=O)C(C)(C)C)c(C)n1-c1ccc(Cl)cc1	733178788	PYHFFWWYCBMKEG-UHFFFAOYSA-N	410.967	3.620	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1	734064531	FGEZEAYHICQILC-IBGZPJMESA-N	403.910	3.691	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(OC)c(OC3CCCC3)c2)c1	734071328	SOMKWQVQOHWZAY-UHFFFAOYSA-N	400.475	3.730	10	20	HHCD	
Cc1cc(Br)c(S(=O)(=O)NCCCSc2nccs2)s1	742296817	JXHKVIWGPYLDRG-UHFFFAOYSA-N	413.409	3.736	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cs1	743045638	RRESQGFNYWJVTA-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C	743665558	KMPLOYHYSKZOSN-UYAOXDASSA-N	418.582	3.978	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743974637	BRSVABOTFUXZQW-KRWDZBQOSA-N	417.456	3.574	10	20	HHCD	
Cc1ccc(N2CCC[C@H](NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)C2)cc1	745886975	GJRVOPPCWOUWJZ-QFIPXVFZSA-N	422.573	3.642	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)NCC2(c3ccccc3)CCOCC2)C2CC2)cc1	746650306	BZMMFLUWWPXRNJ-UHFFFAOYSA-N	421.585	3.582	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)cc1	746787096	ROKUZSHFFPFLIS-UHFFFAOYSA-N	414.556	3.973	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)C2CC2)cc1	751011040	KUTAVQXMQKLHGH-UHFFFAOYSA-N	418.497	3.901	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Br	751294437	NYVIMXHPFQVFQL-MRXNPFEDSA-N	420.303	3.985	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCCCCCCN3CCCC3)CC2)cc1F	753940847	OHYGMHYWMHAMMU-UHFFFAOYSA-N	420.573	3.712	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1cc(Br)cc(F)c1O	756454868	PAFCCMXPDHEQJN-ZWNOBZJWSA-N	402.235	3.523	10	20	HHCD	
C[C@H]1CN(CCCCN[C@H](C)c2cc(Br)c(F)cc2O)C[C@@H](C)O1	756481604	DPQRZCRYPXALGY-HZSPNIEDSA-N	403.336	3.834	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)cc(F)c1O	756712951	RADDAZZFJWRBFS-BONVTDFDSA-N	411.246	3.889	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2ccc(C(=O)NCCN3CCCC3)cc2)c2c(O)ccc(F)c21	756731759	BLLBBRYCWKHADZ-OXQOHEQNSA-N	411.521	3.695	10	20	HHCD	
CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NCCCSc2nccs2)CC1	759580680	PJWMLZYQDTXNOE-SFHVURJKSA-N	424.636	3.838	10	20	HHCD	
CCn1cc(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c2ccccc21	760086370	UVPJOXIWMADLQT-UHFFFAOYSA-N	423.513	3.649	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)c1	760134331	ZEANWPJVUDTCEC-UYHHGJEOSA-N	420.868	3.590	10	20	HHCD	
CCN(CC)Cc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1	764764477	PVVIZOLIRTYWBQ-UHFFFAOYSA-N	420.351	3.996	10	20	HHCD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	765001270	LPJHTTSPDCOIRY-PKOBYXMFSA-N	411.502	3.878	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1	765350214	MALJUPAKRMIJGH-AUSIDOKSSA-N	408.590	3.501	10	20	HHCD	
COc1ccc2c(c1)CCCCN2CC(=O)Nc1cc(OC)c(OC)c(OC)c1	766270120	QDNBCRKWFUXSMD-UHFFFAOYSA-N	400.475	3.502	10	20	HHCD	
C[C@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	766397164	OABAAHKZAZGTBM-NRFANRHFSA-N	421.585	3.655	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(OC4CCOCC4)cc3)c2)CC1	770147020	KKWKFLIFRYQYOG-UHFFFAOYSA-N	409.530	3.639	10	20	HHCD	
C[C@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)c1ccc(N(C)C)cc1	773622753	UNRYSZMIYGRXJA-FQEVSTJZSA-N	422.573	3.690	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc(N(C)C)cc1	773855351	GZFAJLVZVWFYGO-MOPGFXCFSA-N	422.573	3.800	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC2CCN(c3nc4ccccc4s3)CC2)c1O	774987772	XNJJJEDYCYAIFI-UHFFFAOYSA-N	414.487	3.677	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1O	775113213	URYSFLFYOBDJJF-NSHDSACASA-N	402.382	3.657	10	20	HHCD	
C[C@@H]1CN(c2cccc3cnccc23)CCN1Cc1ccc(N2CCN(C)CC2)cc1	775206224	WQECMQXKSZRSAT-OAQYLSRUSA-N	415.585	3.697	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1	775488083	GRFHABNFLVGHSL-KNQAVFIVSA-N	411.565	3.787	10	20	HHCD	
C[C@H](N[C@@H](c1ccc(F)cc1)c1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1	775566404	CSTJQNZMQGLTTG-HJPURHCSSA-N	412.484	3.975	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	777829000	SKYUAEKCWXEBRN-ZIAGYGMSSA-N	409.816	3.629	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c1O	779036723	QTGAJLSFXYVMJI-ZOCIIQOWSA-N	411.384	3.882	10	20	HHCD	
Cc1cc(C(=O)OCc2nc(Cc3cccc(F)c3)no2)c(C)n1-c1ccccn1	782700460	JQWDYVPNFSNACD-UHFFFAOYSA-N	406.417	3.959	10	20	HHCD	
C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCCC2)cc1	783224274	PWOQRMPTLAVIFC-GHTZIAJQSA-N	403.567	3.791	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1C(=O)N(C)C	784058334	QHKCBSFVMHHYLV-UHFFFAOYSA-N	422.529	3.583	10	20	HHCD	
Clc1ccc(OCC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cn1	789758472	SLZRZYIMVURNBW-UHFFFAOYSA-N	401.938	3.863	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(OCCC(C)C)c1	790489433	AQOAYVYXBLZABU-UHFFFAOYSA-N	412.530	3.887	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c(O)c1	792959110	HQXUIJWEDAPLPR-JOCHJYFZSA-N	416.481	3.876	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c(O)c1	794389966	UJKDAKDKFGUNKL-KUHUBIRLSA-N	423.296	3.543	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](C)c2nncn2C)c(C)n1-c1ccc(Br)cc1	797759282	ZEZFAEYXSWNVGH-GFCCVEGCSA-N	416.323	3.519	10	20	HHCD	
C[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1	799726948	SXTLEVDRNNYGQA-MRXNPFEDSA-N	423.529	3.584	10	20	HHCD	
COc1cc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)ccn1	799860920	BBBJIKBTIDFBKL-OAHLLOKOSA-N	402.926	3.979	10	20	HHCD	
CCOC[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC)C1	802540638	XMBKUSTWLHBRGP-HXUWFJFHSA-N	423.561	3.862	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(C(F)(F)F)s1	803031670	ZEFSVJBOBIMGKK-UHFFFAOYSA-N	407.797	3.941	10	20	HHCD	
CC(C)CCN(C(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1	803301724	XDAHCCYAAQLVKC-IBGZPJMESA-N	415.578	3.518	10	20	HHCD	
CC(C)CN(Cc1ccccc1F)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803688586	VIGNTHVAUCEXKB-UHFFFAOYSA-N	411.521	3.509	10	20	HHCD	
CC(C)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1	804708789	UFMWVNPIPGUTLT-QGZVFWFLSA-N	410.923	3.587	10	20	HHCD	
COc1ccc2oc([C@H](C)NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c(C)c2c1	804759206	TZAOISHEWRURSL-HOTGVXAUSA-N	423.513	3.870	10	20	HHCD	
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@@H](C)S1(=O)=O	805013191	ZTCJJRQFTZATQY-UTKZUKDTSA-N	421.607	3.563	10	20	HHCD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	807691930	VALUZXBQUKOTIC-HXOBKFHXSA-N	418.493	3.954	10	20	HHCD	
O=C(NCCCN1CCCC1)C1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1	809733075	VBNXJVMMENAZOP-UHFFFAOYSA-N	421.585	3.873	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCN(c2ccccc2Cl)C1	809974091	LKJUIBGUSPPATB-IBGZPJMESA-N	413.949	3.662	10	20	HHCD	
CC(C)(CO)[C@H](NCc1cc(Br)cc(Br)c1O)C1CC1	811518603	MJDYEUPMDREQGF-CQSZACIVSA-N	407.146	3.804	10	20	HHCD	
Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1[N+](=O)[O-]	811702517	CLXYVJONAVDAPU-UHFFFAOYSA-N	414.867	3.988	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1	814447831	SPJBCSSMFSIJNB-KRWDZBQOSA-N	410.518	3.968	10	20	HHCD	
Cc1nnsc1CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C	817019947	DPWHTPKEJXJANF-UHFFFAOYSA-N	405.321	3.947	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)c(C)n1-c1ccc(C(C)C)cc1	818147960	KQPGHFSUUCHVPF-QFIPXVFZSA-N	421.545	3.779	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCc3sccc3C1)c2[N+](=O)[O-]	844107508	OGOUUNVWBVBMKJ-UHFFFAOYSA-N	418.430	3.630	10	20	HHCD	
CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-n3c(C)ccc3C)cc2)o1	912706121	ROUXZCNMEWBKGH-MRXNPFEDSA-N	408.454	3.751	10	20	HHCD	
C[C@H]1CN(c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2)C[C@H](C)O1	914866297	FLZGOHCVSCNVIM-ROUUACIJSA-N	408.546	3.566	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1	917016671	AKPHTXJWEAIVRN-HSZRJFAPSA-N	406.526	3.800	10	20	HHCD	
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2c(O)ccc3ccccc23)CC1	917463710	LDAZXWHJMXXGOU-QGZVFWFLSA-N	407.489	3.829	10	20	HHCD	
COc1ccc(-n2c(C)cc(-c3nnc(-c4ccc(-n5cnnn5)cc4)o3)c2C)cc1	1117202773	RCHWEAHVFGJLBY-UHFFFAOYSA-N	413.441	3.795	10	20	HHCD	
COc1ncc(/C=C\C(=O)N(Cc2ccccc2)c2ccc(OC)c(OC)c2)cn1	1320415592	BCWHONLFHCUBOX-XFXZXTDPSA-N	405.454	3.749	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cc(OCC(F)F)ccn2)cc1F	1337399947	ZUWMXIFOBLUMAE-UHFFFAOYSA-N	410.440	3.710	10	20	HHCD	
C[C@H]1CCCN(C(=O)CCNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	1351521153	QPGTZCHBDICZRR-IBGZPJMESA-N	414.594	3.903	10	20	HHCD	
O=C(Cc1ccsc1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788426378	IIWVCQHDRFIAAB-UHFFFAOYSA-N	423.494	3.545	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CC2(F)F)C3)cc1	1845398676	OUMISKOUTSXINL-IBGZPJMESA-N	413.468	3.566	10	20	HHCD	
COc1ccc(N2CCN(Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CC2)cc1	105365391	IQCYRTORCTZVEE-UHFFFAOYSA-N	423.416	3.536	10	20	HHCD	
COC(=O)c1ccc(C(C)C)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1	472787895	IHOLQKHGSQKUNU-UHFFFAOYSA-N	421.497	3.652	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)n([C@@H]2C[C@H]3CC[C@H]2C3)n1	472791602	SPIHVIWFOOXQIQ-ABSDTBQOSA-N	419.529	3.608	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)n(C)c2ccccc12	557935914	YXQPOOFZASZDLC-HXUWFJFHSA-N	409.505	3.626	10	20	HHCD	
Cc1c(CNC(=O)Nc2nnn(Cc3ccccc3F)c2C)n(C)c2ccccc12	584355565	BNWYENKOYFXYPJ-UHFFFAOYSA-N	406.465	3.896	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3Cc4ccc(C(=O)OC)cc4C3)ccc21	609299909	MJOYEJBBXDQOSS-UHFFFAOYSA-N	406.482	3.847	10	20	HHCD	
CCN(Cc1ccoc1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	726511922	GRFZICSOPHFHHQ-UHFFFAOYSA-N	404.378	3.626	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(C(F)F)cc3)CC2)cc1	726524080	PHOGBIPOMIPIHK-UHFFFAOYSA-N	403.473	3.575	10	20	HHCD	
Cc1cccc(CS(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726600215	DMIBBDZVNZGTMC-UHFFFAOYSA-N	410.486	3.685	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	729510511	QNFHXTCYJNMHHW-OAQYLSRUSA-N	411.546	3.847	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(N(C)C)c(C)c3)cc2F)CC1	730133163	KAWMZWKKKADVEI-UHFFFAOYSA-N	413.541	3.664	10	20	HHCD	
CCOC(=O)CN(C(=O)CN(Cc1ccccc1O)C1CCCC1)c1ccccc1	733613333	NLWFVJFZZVHTCX-UHFFFAOYSA-N	410.514	3.733	10	20	HHCD	
CCCc1c(C(=O)NCc2cc(OC)ccc2O)nnn1-c1cccc(Cl)c1	734015643	SHDGITIJEKJCBK-UHFFFAOYSA-N	400.866	3.517	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1=Cc2cc(Br)ccc2OC1	734405390	FVPFRDFTLUNTDD-UHFFFAOYSA-N	401.304	3.916	10	20	HHCD	
O=C(c1cc(Cl)nc(N2CCCC2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	735516755	ZMPLBJMWKMPHJP-GOSISDBHSA-N	415.921	3.862	10	20	HHCD	
CC(C)Cn1ccc2cc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)ccc21	737167525	UYXMRRLLILXDHF-UHFFFAOYSA-N	418.541	3.935	10	20	HHCD	
O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1ccc(N2CCSCC2)cc1	740750347	PFNBYWPODITGCG-HXUWFJFHSA-N	423.504	3.749	10	20	HHCD	
OCC1CCN(c2ccc(CNc3ncccc3I)cc2)CC1	740866224	ITWMVRBBTGMHTC-UHFFFAOYSA-N	423.298	3.507	10	20	HHCD	
O=C(Cc1noc2ccccc12)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801711	RUEDZAPXLPUXIC-AWEZNQCLSA-N	401.413	3.757	10	20	HHCD	
CSC(C)(C)CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	743799093	QIWDUJPCVVRLHG-JLHYYAGUSA-N	414.643	3.987	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)[C@H](C)c3ccc(C(F)(F)F)cc3)nc12	746139138	XLXNCGJZHDCBRA-GFCCVEGCSA-N	422.407	3.823	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1	746144762	GKTKFGCKKUKVLB-HXUWFJFHSA-N	414.594	3.854	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1F	747852464	FKYPDHSEWJQGFV-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CCN(CC(F)(F)F)CC1	748964866	CFWDOFOQZNYFAT-UHFFFAOYSA-N	400.489	3.558	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C	749557166	DUARZXOQHJQIRV-XXBNENTESA-N	406.574	3.779	10	20	HHCD	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1ccc(N(CC)CC)cc1	750627128	VKVMGAVPZIZNRC-UHFFFAOYSA-N	412.534	3.955	10	20	HHCD	
Cc1cc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ncccc2c1	751137026	PCFPPRKJZHHHAY-LJQANCHMSA-N	412.511	3.619	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)ccc1F	751359179	HQZFJMFXSBRHRI-UHFFFAOYSA-N	421.490	3.842	10	20	HHCD	
COC(=O)C1(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCCC1	752115229	MZUDUFUVSZRYSZ-UHFFFAOYSA-N	408.458	3.890	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)c1	752727092	VUDBFCZNBSSNMA-AWEZNQCLSA-N	400.475	3.532	10	20	HHCD	
CC[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)Oc1cccc(F)c1	753343540	NRKUKXBYGOVAMO-DYESRHJHSA-N	415.509	3.880	10	20	HHCD	
CCCCOc1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1OC	753737637	HKEFHMSXBXNEBI-UHFFFAOYSA-N	416.493	3.984	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)nc3)CC2)cc1F	753739303	FAYUBOBBYICRRR-UHFFFAOYSA-N	407.445	3.984	10	20	HHCD	
CC(C)n1cc([C@@H](C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1	754795498	YRMUDRSBTJBONR-OAHLLOKOSA-N	416.481	3.529	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(C)c1Br	756176973	TWNQBSDVCLKPAE-AWEZNQCLSA-N	418.335	3.948	10	20	HHCD	
CC(C)(C)N(Cc1cccc(F)c1)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	759596339	VZIXJSYXHKAUKQ-NTMALXAHSA-N	401.434	3.621	10	20	HHCD	
COc1cc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)ccc1SC	759871495	BRCPTBGGMOJGCK-UHFFFAOYSA-N	418.559	3.765	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C)nn2-c2ccccc2)cc1	761880347	MCZPMCICJYNBNN-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1[N+](=O)[O-]	761996782	YNWTVOOEKVNZSN-UHFFFAOYSA-N	400.840	3.850	10	20	HHCD	
Oc1ccccc1CN(C[C@H]1CCCO1)c1nc(-c2cccnc2)nc2c1CCC2	762175670	GCSRYWVCPBIFDN-LJQANCHMSA-N	402.498	3.919	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc(-c4ccc(C(=O)N(C)C)nc4)no3)ccc21	762242265	IWANLERZSFDXJB-UHFFFAOYSA-N	419.485	3.718	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3CC(=O)c3ccco3)c2C)cc1	763002549	PWXMYWRQNXHOAO-IBGZPJMESA-N	422.481	3.810	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	763279517	MADQKODJCBGOEA-MNOVXSKESA-N	412.255	3.514	10	20	HHCD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	763435221	VQAVAYABVJEMRA-UHFFFAOYSA-N	415.515	3.816	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1CCCN1Cc1ccc(F)cc1	765747515	PHVGLVGSYDCSAZ-KRWDZBQOSA-N	407.283	3.575	10	20	HHCD	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	766243429	KCJCYYDKDSZNMG-UHFFFAOYSA-N	416.453	3.634	10	20	HHCD	
COCOc1ccc(OC)cc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	766454380	LUNNXUYEBZMXQI-IAGOWNOFSA-N	418.509	3.720	10	20	HHCD	
O=S(=O)(/C=C/c1cccc(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1	768847665	NHKUOZUVEZSAGQ-JLHYYAGUSA-N	420.962	3.639	10	20	HHCD	
O=C(COC(=O)[C@@H]1CCCCS1(=O)=O)Nc1ccc(N=Nc2ccccc2)cc1	772413650	YBYSESQFSSDWPO-SFHVURJKSA-N	415.471	3.551	10	20	HHCD	
COc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1Cl	773848502	RKAHPCAHPLLOON-LLVKDONJSA-N	410.301	3.884	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1Br	773856168	JPUAEDWOLWNQKV-ZDUSSCGKSA-N	404.308	3.639	10	20	HHCD	
Cc1ccccc1CNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	775125197	GNVKLXWQOBZRLF-INIZCTEOSA-N	413.949	3.817	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)n2)s1	775149914	JUZSJYUGBSDRKC-UHFFFAOYSA-N	422.479	3.994	10	20	HHCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1	775257189	GNRBXFSPAQGEHR-UHFFFAOYSA-N	414.512	3.820	10	20	HHCD	
CSCC[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1nnc2ccccn12	778108766	GLSVOGHFWVGSHF-INIZCTEOSA-N	404.923	3.875	10	20	HHCD	
COC(=O)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1	779547925	YDCVYBQRHYVQQC-RUFWOKOUSA-N	409.360	3.550	10	20	HHCD	
COCC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccco1	780049475	XGUBMTZBYHCKDM-YJBOKZPZSA-N	423.460	3.927	10	20	HHCD	
CC1(NC(=O)OC(C)(C)C)CCN(C(=O)NCCCSc2nccs2)CC1	780538970	SFRILVVBOJCFDR-UHFFFAOYSA-N	414.597	3.714	10	20	HHCD	
CC(=O)N1CCN(Cc2ccccc2NCc2ccc(N3CCCCC3)cc2)CC1	780548735	WRPGGYYFQPCRNX-UHFFFAOYSA-N	406.574	3.953	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(Cl)ncc3Cl)cc2F)CC1	780619386	OXLJGNKPRULGEI-UHFFFAOYSA-N	411.308	3.599	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)c1	780985621	SSFMSROFWFHFOJ-QHCPKHFHSA-N	407.466	3.720	10	20	HHCD	
CC(C)n1nnnc1-c1ccc(NC(=O)NCCCSc2nccs2)cc1F	783091569	CTEKMZBMNYKAPC-UHFFFAOYSA-N	421.527	3.821	10	20	HHCD	
NC(=O)NCc1ccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	783933466	IWCCPYXIRWMQLZ-UHFFFAOYSA-N	416.441	3.848	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](c2cccs2)C2CC2)cc1F	785783899	PMLUVXSATHTZDJ-LJQANCHMSA-N	403.523	3.617	10	20	HHCD	
CCc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nnn1Cc1ccc(F)cc1	787448700	FXMFPWJPOSZSDR-UHFFFAOYSA-N	408.477	3.542	10	20	HHCD	
C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(C(F)(F)F)c1O	788602996	QEEKKFPEWWMSSF-VPWXQRGCSA-N	408.464	3.945	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3nc4ccc(OC)cc4s3)cc2F)CC1	788960000	JQGNRHNKDXOZOO-UHFFFAOYSA-N	414.550	3.876	10	20	HHCD	
CCOc1c(Cl)cccc1CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	790656231	WBUNHQDNCDWDCF-UHFFFAOYSA-N	416.949	3.806	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(C)(C)S(=O)(=O)C3CC3)cc2Cl)C1	791064375	SHWMFEDJDMGABG-AWEZNQCLSA-N	412.983	3.548	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53	793347227	NRIZAXAMECTDIZ-VJQJMSHESA-N	414.496	3.767	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C)C3C[C@@H]4CC[C@H](C3)N4C)c2C)cc1	796453637	LNVKZWVMXNGQKJ-CBQGHPETSA-N	423.557	3.620	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C2CCN(C(=O)[C@@H](C)CSC)CC2)cc1	799299960	DFMKMZIUPXPBBD-SFHVURJKSA-N	419.635	3.729	10	20	HHCD	
COC(=O)c1cc(Br)c(OC)cc1NC(=O)N(C)Cc1ccccc1O	806801986	DSFYHZMTMABBHU-UHFFFAOYSA-N	423.263	3.614	10	20	HHCD	
CN1CCOc2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc21	806950167	PKSCKBCXCORHEG-MRXNPFEDSA-N	417.456	3.515	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1	807677531	PYAQLGATMWITLD-CQSZACIVSA-N	407.436	3.607	10	20	HHCD	
COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cnc1Br	807835807	KPCFLHRHFSZWJQ-UHFFFAOYSA-N	406.063	3.795	10	20	HHCD	
CS(=O)(=O)c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1	807986271	HGJANOFPEHSZHT-CYBMUJFWSA-N	414.449	3.912	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	814267318	ATUVAUGDSNQPMZ-OKILXGFUSA-N	412.552	3.596	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(Sc4ccccn4)o3)cc2)C1	814290985	VQCINCKVWJGDMS-SFHVURJKSA-N	422.554	3.817	10	20	HHCD	
CN1CCc2[nH]c3ccc(C(=O)N(Cc4ccccc4O)C[C@@H]4CCCO4)cc3c2C1	816921600	AUYMFYHFXFLYIV-IBGZPJMESA-N	419.525	3.683	10	20	HHCD	
O=C(NCc1ccccc1Cn1cccn1)N(Cc1ccccc1O)C[C@H]1CCCO1	916227907	ORLUBJXGBZAOFA-JOCHJYFZSA-N	420.513	3.528	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	916667138	HFZGYOKBQRTCHF-UHFFFAOYSA-N	407.518	3.652	10	20	HHCD	
O=C1CCC(=O)N1Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	916842933	DHKYHAUJMBYCTH-UHFFFAOYSA-N	422.485	3.846	10	20	HHCD	
CCN(CCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1)S(C)(=O)=O	918025186	GLYQOUAOTYHIAE-UHFFFAOYSA-N	403.508	3.895	10	20	HHCD	
Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	918122957	OLMSMKMMFQUOST-JTHBVZDNSA-N	420.557	3.743	10	20	HHCD	
CCN(Cc1ccncc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	918222275	UYPFGUHRYAKDKO-IAGOWNOFSA-N	400.498	3.566	10	20	HHCD	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(C)Cc1ccccc1O	918444577	SHDMNMHXMKWXPI-UHFFFAOYSA-N	410.392	3.797	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(=O)n(C)c2)c(C)n1-c1ccccc1Br	918676066	JDYNASDRMFFIJI-UHFFFAOYSA-N	400.276	3.808	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1	1115951747	BRFZWKMKPQKHHW-JOCHJYFZSA-N	422.573	3.979	10	20	HHCD	
Cc1nc2ccc(Br)cn2c1C(=O)Nc1c(Cl)ccc2nonc12	1346939890	CCMYJOYXYQDNIM-UHFFFAOYSA-N	406.627	3.847	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CC(C)C)CCO3)C2)cc1	1781752906	BPVSHICQYFGGKW-RUZDIDTESA-N	423.557	3.584	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCCCN3C[C@H](C)O[C@H](C)C3)ccc21	434786815	IMKUVCFMJVOFHC-HDICACEKSA-N	415.578	3.524	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(C(F)F)c3)CC2)cc1	726080782	OPINWDGYICDGDE-UHFFFAOYSA-N	418.488	3.967	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1F	726630020	ROPBENPYXBSBCD-SXGWCWSVSA-N	423.512	3.644	10	20	HHCD	
Cc1ccc(Cc2nnc(NC(=O)NCc3ccc(N4CCOCC4)cc3)s2)cc1	731114694	VFULFOHPUNXCDQ-UHFFFAOYSA-N	423.542	3.596	10	20	HHCD	
CCS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	733886444	CIMVRAMFAADEDJ-UHFFFAOYSA-N	418.534	3.882	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCCCNC(=O)NC1CCCCC1	734402244	JUUYNJTUWPVYJO-UHFFFAOYSA-N	402.583	3.870	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cn1cc(I)cn1	738023671	POHYVOKHSOVUJE-UHFFFAOYSA-N	410.303	3.568	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(N2CCOCC2)cc1	740459057	KVCUYRUQVCIUQR-JTSKRJEESA-N	411.502	3.574	10	20	HHCD	
CC(=O)Nc1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742800701	LAARGCLLUDPDPC-GOSISDBHSA-N	417.456	3.574	10	20	HHCD	
CC(=O)c1cccc(OCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742802566	ZRHDQSHWMBUNLP-KRWDZBQOSA-N	418.440	3.655	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@H](O)COCc1ccc(OC)cc1	743872045	PHMFGBQOGJTNFC-SFHVURJKSA-N	424.335	3.563	10	20	HHCD	
CNC(=O)CC1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	746358726	DQNGCYFLUWENRL-UHFFFAOYSA-N	401.938	3.665	10	20	HHCD	
CCOc1cccc([C@@H]2NC3(CCCC3)C(=O)N2c2ccc(OC)c(OC)c2)c1O	747441283	UXBPRSZRKNITGG-OAQYLSRUSA-N	412.486	3.756	10	20	HHCD	
COCCOc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	748702971	MXGFZXKRVUJUNA-INIZCTEOSA-N	418.921	3.693	10	20	HHCD	
COc1ccc(Br)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1	750313318	TYGZZPCQYHHQSV-UHFFFAOYSA-N	420.307	3.616	10	20	HHCD	
COc1cccc(CO[C@@H](C)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1	751302783	QIIVGQQSQYHDGT-INIZCTEOSA-N	402.454	3.949	10	20	HHCD	
COc1ccc(OC)c([C@H](O)CN[C@H](C)c2cc(Br)cc(F)c2O)c1	756382854	FBGDMZQHKZZSLN-QLJPJBMISA-N	414.271	3.695	10	20	HHCD	
C[C@H](NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1cc(Cl)ccc1O	756465640	JYVTTYYPZDFYTD-MAUKXSAKSA-N	418.921	3.570	10	20	HHCD	
CCc1c(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cnn1CC(C)C	757905333	SVIQUXDLWSOIIL-UHFFFAOYSA-N	403.502	3.603	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	765383503	ZDEZDXLLFNSRQU-GOSISDBHSA-N	401.576	3.778	10	20	HHCD	
Cc1cnc(O)n1-c1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1	767932461	WZSDNTUKHKOQGO-UHFFFAOYSA-N	419.529	3.669	10	20	HHCD	
O=C(NCc1ccc2c(c1)COC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	770034988	ZJXYFWIZVNZUOV-UHFFFAOYSA-N	417.456	3.786	10	20	HHCD	
COc1ccccc1C(=O)NCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1	771448982	XJHMVKLHXIYLCL-SFHVURJKSA-N	418.493	3.921	10	20	HHCD	
Cc1cn2c(=O)c(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cnc2s1	771621221	HPVLUHHRQISPMQ-UHFFFAOYSA-N	422.510	3.566	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N2C[C@H](C)O[C@H](C)C2)ccn1	772149561	QBLXWUIAOLBNLQ-KDURUIRLSA-N	410.562	3.812	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccncc2)cc1)c1ccc(N(C)C)cc1	773845577	IELYMVKIAQPIFK-QGZVFWFLSA-N	418.497	3.543	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1	775059842	VDOYIJRAWOVSPS-UHFFFAOYSA-N	422.913	3.732	10	20	HHCD	
C[C@@H](NCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	775260908	RESJAZXWFMMAMC-OAHLLOKOSA-N	407.436	3.831	10	20	HHCD	
CC(C)CS(=O)(=O)N1CCC(N[C@H](C)c2ccc(N3CCCCC3)cc2)CC1	777312229	AHJYCMBOSNEEJY-LJQANCHMSA-N	407.624	3.778	10	20	HHCD	
COc1ccc(Cn2ccc(NC(=O)NCCCSc3nccs3)n2)cc1	779506920	ZGSNWNRRZQDBTN-UHFFFAOYSA-N	403.533	3.700	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779570470	LSESEXLCGUMONS-YBNHLDJLSA-N	419.481	3.514	10	20	HHCD	
Cc1ccc(NC(=O)c2nnc(CN3CCOc4cc(N(C)C)ccc43)s2)cc1	780303595	YSRBJGJPFDRFHM-UHFFFAOYSA-N	409.515	3.564	10	20	HHCD	
Cc1ccccc1-n1ncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1C(F)(F)F	782749223	QMKRYYOPZHBNDJ-UHFFFAOYSA-N	420.343	3.650	10	20	HHCD	
C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783631729	QZOOJVUEUUMYSA-AWEZNQCLSA-N	407.422	3.682	10	20	HHCD	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788938214	QFOYVSOTFNOMFD-JTSKRJEESA-N	409.505	3.652	10	20	HHCD	
Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	789594326	KDLLDNPGVSPNLV-UHFFFAOYSA-N	419.529	3.622	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	792236680	PSXQDSUYCWJDPY-UHFFFAOYSA-N	423.296	3.841	10	20	HHCD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	793823241	GOKBXULAOXCUME-SFHVURJKSA-N	423.557	3.525	10	20	HHCD	
OCCn1ncc2c1CCC[C@@H]2NCc1ccc2c(c1)CCN2Cc1ccccc1	796281904	SMHWTWGKFBCVLK-QHCPKHFHSA-N	402.542	3.605	10	20	HHCD	
C[C@@H](NC(=O)N(C)CCCOCc1ccccc1)c1ccc(N2CCOCC2)cc1	798387864	LOCNUZYZLSOPJM-HXUWFJFHSA-N	411.546	3.833	10	20	HHCD	
CO[C@H](C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1cnn(C)c1	798771705	MKXLQDTZOSLZLH-FQEVSTJZSA-N	407.430	3.705	10	20	HHCD	
C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)NCc1ccc(N2CCCC2)cc1	799885390	GPTMMESHOWNSRJ-IBGZPJMESA-N	408.546	3.648	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cc(Br)c(=O)n(C)c1	801636089	CCPKTLQKAQPQHP-UHFFFAOYSA-N	408.296	3.688	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(Br)c1Cl)c1ccc(N(C)C)cc1	802567951	HKROAIXZSFIWIJ-NSHDSACASA-N	424.726	3.984	10	20	HHCD	
CCC(=O)c1ccc(NCc2ccc(N(CC)CC)c(F)c2)c(S(N)(=O)=O)c1	804443343	FMSSTIJTQYGMHH-UHFFFAOYSA-N	407.511	3.524	10	20	HHCD	
CC[C@@H](N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1cc(Cl)ccc1O	806169515	GUFCBUUQOUPYTA-RTBURBONSA-N	418.921	3.905	10	20	HHCD	
Cc1cc(OC(C)C)ccc1NC(=O)C(=O)NCc1cc(Br)ccc1O	807387313	HXBJQIREYIERRL-UHFFFAOYSA-N	421.291	3.505	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@@H]2CCCC(=O)N2)c(C)n1-c1ccc(F)c(Cl)c1	808683958	LQLVQGIREZBSQA-AWEZNQCLSA-N	420.868	3.671	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1	810050671	KZEBSHJXDUWCTN-CQSZACIVSA-N	400.500	3.660	10	20	HHCD	
OC[C@@H](CNCc1cc(Cl)c(F)cc1O)Cc1ccc(Br)cc1	816591939	RZJWLIXXDMPNIA-GFCCVEGCSA-N	402.691	3.888	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1	857758435	HLNPNELLNSKCRZ-RUZDIDTESA-N	407.558	3.531	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(C)C2C3CC4CC(C3)CC2C4)c1	915209037	WXYRAAHOAITZDW-UHFFFAOYSA-N	412.574	3.684	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3cnc(N4CCCC4)nc3)SC2=S)cc1	915984078	HJXWGQVWXFIRSB-BOPFTXTBSA-N	411.556	3.549	10	20	HHCD	
O=C(CSc1nccn1Cc1ccccc1)NCc1ccc(N2CCCC2)cc1	917185893	BEDDWSIHWYPOOT-UHFFFAOYSA-N	406.555	3.940	10	20	HHCD	
Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	917706755	MXQNIUMKUDYACB-UHFFFAOYSA-N	400.494	3.789	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(OC(F)F)c3)cc2F)C[C@H](C)O1	917708744	FVQBXHMSTLEPOX-KBPBESRZSA-N	408.420	3.971	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)cc1	920868681	JOZAIZCNJNIIMA-OAHLLOKOSA-N	423.435	3.982	10	20	HHCD	
Cc1ccc(NC(=O)NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1	920870921	UPPCKKFHGLRCRF-RBUKOAKNSA-N	424.545	3.527	10	20	HHCD	
CCn1nc(C(C)C)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	1251150826	RXPXHNOGYRGDDK-IYBDPMFKSA-N	402.514	3.709	10	20	HHCD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2c(Cl)ccc3nonc23)cc1	1320978194	GSOBVHONLPRMEC-NSHDSACASA-N	404.879	3.884	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(Cl)c3Cl)CC2)cc1	3555496	IYLGDVOGFPEPQE-UHFFFAOYSA-N	423.296	3.508	10	20	HHCD	
O=C1N=C(NC2CCCCC2)S/C1=C/c1cc2ccccc2nc1N1CCOCC1	21191117	KKULFMYLKRIZMW-HMMYKYKNSA-N	422.554	3.964	10	20	HHCD	
O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	71797639	QVIGWJMQQLGHRW-SFHVURJKSA-N	404.304	3.905	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCc2nc(-c3ccccc3)no2)cc1	804966945	GWVINISESUAPKF-UHFFFAOYSA-N	407.518	3.967	10	20	HHCD	
C[C@@H](NCc1ccncc1OC[C@H]1CCOC1)c1cc(Br)ccc1O	806660215	TULZMOLDEXAVJR-KGLIPLIRSA-N	407.308	3.816	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c1OC	806554404	SLFQZVNZZXZAAL-RVDMUPIBSA-N	409.529	3.858	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	801708700	KIMZVEVRMLXNTQ-UHFFFAOYSA-N	417.531	3.549	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H]1CCC[C@H](C)CC1	806965421	HXXKTRNHNYYMRX-BBRMVZONSA-N	411.340	3.588	10	20	HHCD	
COCCc1nc(CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)no1	809960492	XPXOSKLOASYQAG-VMPITWQZSA-N	407.470	3.750	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	810396189	SENXEOFMSUYFBF-UHFFFAOYSA-N	410.474	3.901	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ncnc3cccc(F)c23)CC1	480855849	WUINUBAQNBNNGO-UHFFFAOYSA-N	402.429	3.592	10	20	HHCD	
Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3O)n2Cc2cccs2)n1	812362997	PTVABTBWAXXGES-UHFFFAOYSA-N	408.531	3.592	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1	810028312	GJVYLHXCKNKNIK-JOCHJYFZSA-N	410.514	3.751	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1F	728835780	KTFYEVZNFVMNFW-UHFFFAOYSA-N	407.445	3.579	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](O)c2ccc(Cl)cc2)cc1	813430643	PKOWQHKKIRUPKN-SFTDATJTSA-N	402.922	3.647	10	20	HHCD	
CCOCc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	726720753	PTZUKSILQLUEHT-UHFFFAOYSA-N	409.530	3.811	10	20	HHCD	
CCN(CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)C(=O)OC(C)(C)C	729616877	CXJXORXUYDFXKP-UHFFFAOYSA-N	417.506	3.954	10	20	HHCD	
CCCOc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731131147	BTFCAGGHJWLDGL-UHFFFAOYSA-N	409.530	3.967	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H](N3CCCCC3=O)C2)c(C)n1-c1cccc(F)c1	732811966	KGLGSDBVYQNUGK-OAQYLSRUSA-N	411.521	3.893	10	20	HHCD	
COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCc2ccc(N(C)C)cc2C)c1	734641862	IHGBBENGWFYTNC-UHFFFAOYSA-N	410.518	3.770	10	20	HHCD	
CCOc1ccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1F	730135357	WEBFSHUYBNUHQI-UHFFFAOYSA-N	418.488	3.827	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc(CC(=O)N(C)C)cc3)cc2)CC1	731105558	JJVLWMSXAIYZDC-UHFFFAOYSA-N	408.546	3.875	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(=O)oc2cc(C)ccc12	731845449	YKNRJUUFNMPGPG-UHFFFAOYSA-N	401.846	3.636	10	20	HHCD	
C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	918187149	WGPIZZHNCLJPCH-YESZJQIVSA-N	403.498	3.853	10	20	HHCD	
COC(=O)C[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccc(OC)cc1	914849434	INOWDSXVSLSWMT-HXUWFJFHSA-N	407.470	3.532	10	20	HHCD	
Cc1nc2ccccc2n1CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	915906773	OSHUKTJMMFBVGW-FQEVSTJZSA-N	422.529	3.831	10	20	HHCD	
O=C(NCc1nc(C(F)(F)F)cs1)N(Cc1ccccc1O)C[C@H]1CCCO1	741089987	LZSFJWLMDVLTFP-CYBMUJFWSA-N	415.437	3.758	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(N4CCO[C@H](C)C4)cc3)CC2)cc1	743178179	QDFDGGCRTMMICE-LJQANCHMSA-N	424.545	3.665	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O	745829601	YQZMATCOHQIRCP-LJQANCHMSA-N	414.937	3.709	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3csc(Br)c3)CC2)cc1	918006989	WJICUGUPKFSOJT-UHFFFAOYSA-N	424.364	3.941	10	20	HHCD	
O=C(CSCc1cscn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	747590179	CHQVDJQBMDZGFV-OAHLLOKOSA-N	411.980	3.516	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	741429902	AZVZBGBHXOJXRQ-YKSBVNFPSA-N	424.589	3.574	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2n[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1	742751404	UGTGOZMLDHKSFS-LJQANCHMSA-N	423.517	3.625	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1	918196420	UBZUHUFHYBLKTH-UHFFFAOYSA-N	406.485	3.997	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)Nc1ccc2nc(O)[nH]c2c1	919568744	JURSAIPNWGLVBB-UHFFFAOYSA-N	410.455	3.533	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CCN3[C@@H](C)CC[C@@H]3C)CC2)cc1	749400422	ZFUVECYLDKYZML-PMACEKPBSA-N	408.590	3.725	10	20	HHCD	
O=C(NCc1ccc(Cl)nc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743541523	SPQRVVNJGBVCTE-AWEZNQCLSA-N	410.852	3.805	10	20	HHCD	
Cc1ccccc1CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742754256	OCVRSNYBGGFHLI-NRFANRHFSA-N	411.546	3.986	10	20	HHCD	
O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)Nc1ccc(N=Nc2ccccc2)cc1	744349234	DJYZYZBDAFJYSI-UKAVVXHISA-N	418.453	3.593	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)Oc3cccc(F)c3)cc2F)C[C@@H](C)O1	917713987	LTMWHZULIJAFBV-XHSDSOJGSA-N	404.457	3.662	10	20	HHCD	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	740919830	OWHKVEBAMPJHQQ-SFHVURJKSA-N	402.502	3.546	10	20	HHCD	
O=C(NCC1Cc2ccccc2C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743618636	JZZCNCYZZCYXMK-IBGZPJMESA-N	415.484	3.971	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	756542581	BPYBXRUVUWRPKT-KBXCAEBGSA-N	406.523	3.697	10	20	HHCD	
O=C(CCc1nc(-c2ccco2)no1)Nc1c(-c2ccccn2)nc2ccccn12	751302194	KXPZTIWANKPGQH-UHFFFAOYSA-N	400.398	3.611	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)O[C@@H]3CCN(C4CCOCC4)C3=O)c2C)c1	750412247	ODJZQMFISKQMEG-JOCHJYFZSA-N	410.514	3.648	10	20	HHCD	
C[C@H](CN1CCCC1=O)N[C@H](C)c1cc(Br)cc(Br)c1O	756449975	PUQBZRCYGSLSRY-NXEZZACHSA-N	420.145	3.579	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3COc4c(Cl)cccc43)CC2)cc1	757669308	CISIIWJEELIFAC-LJQANCHMSA-N	401.894	3.750	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)ccc1-n1nnnc1C(C)C	752984762	AMDBQDWTYBNHPK-UHFFFAOYSA-N	411.485	3.621	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	755201498	WNTPTQXVNXHDEJ-IYBDPMFKSA-N	415.465	3.597	10	20	HHCD	
O=C(COc1ccc(C2SCCCS2)cc1)NCCc1ccc(O)c(O)c1	750795642	QBMYNEBMPUPZJT-UHFFFAOYSA-N	405.541	3.704	10	20	HHCD	
Cc1cc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ncccc2c1	751137024	PCFPPRKJZHHHAY-IBGZPJMESA-N	412.511	3.619	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)cc1	760470722	BMSCOWAFFLYDKV-DEOSSOPVSA-N	419.525	3.864	10	20	HHCD	
CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1	766601141	PDRCWBVQBJTKGN-CLJLJLNGSA-N	423.601	3.933	10	20	HHCD	
C[C@H]1CN(CCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)CCCO1	764571346	BUTOCIIZBVSYLS-IBGZPJMESA-N	403.567	3.737	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2nc[nH]n2)c(C)n1-c1ccc(C(C)(C)C)cc1	764002207	JEARCSKCSUDRAU-UHFFFAOYSA-N	408.502	3.868	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3cc(F)c(F)cc3F)cc2F)C[C@@H](C)O1	767883107	GMSJCYWHCSBDCY-BETUJISGSA-N	410.411	3.716	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1	765868614	QRSDDDLZTNMDMX-CVDCTZTESA-N	408.590	3.691	10	20	HHCD	
CC(C)(C)SCCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	769717566	NALJYVQLCCHIOL-UHFFFAOYSA-N	412.467	3.632	10	20	HHCD	
O=C(Nc1ccc(C(F)(F)F)nc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	761875648	WTKITZUPNLISLY-UHFFFAOYSA-N	419.359	3.567	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2c(Cl)ccc3nonc23)nc1	1117551857	STFONUJRBRNGLH-UHFFFAOYSA-N	403.826	3.799	10	20	HHCD	
O=[N+]([O-])c1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2Br)cc1	777474082	RFWYNCZWRUGTMR-UHFFFAOYSA-N	412.225	3.579	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c[nH]c2cc(Br)ccc12	773745069	YTZZYKPPWJQHEP-LLVKDONJSA-N	403.276	3.632	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)n2)c1	773338802	IQKCVPRHPVOOKQ-HUUCEWRRSA-N	409.490	3.933	10	20	HHCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	772798435	QZPLFWDSBHZNAT-HXUWFJFHSA-N	409.574	3.774	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776238666	JWPQCTWBAXWWNT-DYESRHJHSA-N	424.545	3.943	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)CC1	770147884	MZYZWPYCHDYNIN-UHFFFAOYSA-N	405.458	3.537	10	20	HHCD	
C[C@H](NCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccc(N2CCOCC2)cc1	775259266	QFUPTYFTKYZLGG-PMACEKPBSA-N	421.585	3.930	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F	778624327	YFILMNJVAPIHIZ-UHFFFAOYSA-N	423.441	3.679	10	20	HHCD	
C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1c1ccccc1	788911002	MLUPKVRJLZZCHC-CVDCTZTESA-N	405.542	3.555	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccnn2Cc2ccccc2)cc1	784105681	GTUCCPMHBCEHDQ-UHFFFAOYSA-N	417.513	3.676	10	20	HHCD	
O=C1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21	789627438	VNZNMMBZGPGTKN-GOSISDBHSA-N	418.415	3.528	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OC2CCCC2)nc1	781982088	ZTYAJHZBODSPOD-UHFFFAOYSA-N	409.530	3.542	10	20	HHCD	
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCCSc1nccs1	789090400	LGPLVRFRIGJMLJ-CQSZACIVSA-N	420.560	3.985	10	20	HHCD	
COc1cc(NC(=O)c2cccc(O)c2O)c(OC)cc1NC(=O)c1ccccc1	790488576	LCMXVOPPKQJODL-UHFFFAOYSA-N	408.410	3.620	10	20	HHCD	
CCOc1ccc(NCc2c(O)cccc2Cl)cc1S(=O)(=O)N1CCCC1	796394746	IPKKSXBOCJVJLC-UHFFFAOYSA-N	410.923	3.841	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H](CC(N)=O)c3ccccc3)c2C)cc1	794283243	UYQVWBVQAQZLEA-JOCHJYFZSA-N	405.498	3.791	10	20	HHCD	
CCC[C@@](C)(CC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	793161559	WIIDJDUCRRLRRA-HSZRJFAPSA-N	413.541	3.775	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1	793033131	QNWRTSXDLCUQOA-CQSZACIVSA-N	412.490	3.774	10	20	HHCD	
O=S(=O)(Nc1ccccc1)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1	1347808482	AIFWALYYBHTNDR-UHFFFAOYSA-N	423.538	3.936	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=S)Nc3cccc(Cl)c3)CC2)cc1	18169102	CTEKMZDKQCWWOJ-UHFFFAOYSA-N	418.994	3.847	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1	18215421	ZSLNTALTKAYJDM-UHFFFAOYSA-N	400.482	3.909	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCCOCC3CCOCC3)cc2)CC1	303917468	VFLAZXLRBWXMII-UHFFFAOYSA-N	403.567	3.555	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(-c4ncn(C)n4)c3)ccc21	543104659	XFXSERXEBICABX-UHFFFAOYSA-N	403.486	3.952	10	20	HHCD	
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)c1	604533721	ZQQYCDNMMMOPNV-UHFFFAOYSA-N	413.480	3.785	10	20	HHCD	
CN(C)C(=O)c1cccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	726094530	NUVQPYCDDCRRFY-UHFFFAOYSA-N	407.470	3.599	10	20	HHCD	
Cc1ccc(C(=O)O[C@@H](C(=O)N2CCSc3ccccc32)C(C)C)c(O)c1O	727003942	IXGAAMGCHIPMEX-LJQANCHMSA-N	401.484	3.727	10	20	HHCD	
COc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(N(C)C)cc2)c2ccccc2)cc1	727099091	WXYOVEVXILFHBK-HSZRJFAPSA-N	417.509	3.549	10	20	HHCD	
COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1O	727762541	PBAOQBRGXUNKHI-IBGZPJMESA-N	418.493	3.723	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN1c1ncnc2sccc12	728518650	KYEBBLFCUNDLDA-HXUWFJFHSA-N	421.570	3.967	10	20	HHCD	
CN(C)c1ccc(CN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC(F)(F)F)cc1	728904349	MYXAWQWWUXAOSQ-UHFFFAOYSA-N	424.379	3.591	10	20	HHCD	
COc1cccc(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1O	729859178	ITLWXOLFRJHMNA-UHFFFAOYSA-N	403.438	3.558	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)CC1	731017052	SUVNFPWSSBXZFX-JOCHJYFZSA-N	405.542	3.588	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@@H]2CCOC2)c(C)n1-c1cccc(Br)c1	731653601	YVMTXFHWVNQYOM-MRXNPFEDSA-N	421.335	3.640	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)cc1	733035789	UYGDIVROMUJTTA-UHFFFAOYSA-N	408.502	3.816	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	734404064	FESDQEYZZKUORS-IBGZPJMESA-N	413.949	3.883	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN([C@H]4CCCN(C)C4)CC3)c2C)cc1C	734486534	DXIXSQWHSIFFGZ-DEOSSOPVSA-N	422.617	3.605	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CSc4ccccc43)cc2F)C[C@@H](C)O1	735633704	UOHHECQOXYMHOS-DAYGRLMNSA-N	400.519	3.945	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1C(F)(F)F	741097774	YFLHURZCLAVQEV-UHFFFAOYSA-N	403.404	3.645	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3CCCC[C@H]3S(C)(=O)=O)c2C)cc1	742184500	VTTNNJHQEWOENP-NHCUHLMSSA-N	418.559	3.531	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2F)NC(=O)OC(C)(C)C)cc1	742750376	MJPNJLWNIDEIHK-HXUWFJFHSA-N	415.509	3.816	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(=O)c2ccccc2o1	742798122	JZRHMMWOQIQJMZ-AWEZNQCLSA-N	414.408	3.793	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(-c2nccs2)cc1	743954567	BVHTVIGMGYDZFT-UHFFFAOYSA-N	407.495	3.649	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(CN2CCCC2=O)c1	745479586	VMURIVLOURWTOO-UHFFFAOYSA-N	422.573	3.995	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1	745907922	RYIKEHFNHRAKLM-QFIPXVFZSA-N	424.522	3.727	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CSc2nnc(S)s2)cc1	747355611	ZRNMEQHILWMHAI-UHFFFAOYSA-N	420.585	3.807	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)ccc1F	747855321	MJFKQAVANIQLJI-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	748627436	XQWVBAKUKOYATI-CVDCTZTESA-N	411.546	3.658	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3cccc(OCC(N)=O)c3)c2C)c1	749403461	WCWDZJMKGHBRCD-UHFFFAOYSA-N	405.498	3.505	10	20	HHCD	
Cc1cc(-c2csc([C@@H]3CCCO3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	749589559	IOMAIBDTZBXJBT-SFHVURJKSA-N	403.529	3.717	10	20	HHCD	
COc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c([N+](=O)[O-])cc1OC	751299117	IFDGZBWFPHMMBV-UHFFFAOYSA-N	419.397	3.574	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CC(c2c(F)cccc2F)=NO1	751307567	JTNUVJVBHDSJRX-KRWDZBQOSA-N	419.391	3.806	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cccc2cnccc12	751465548	HXYFEJSFUFOXBO-UHFFFAOYSA-N	421.316	3.914	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1c(F)cccc1F	751465802	KKMSAQKLDFGFBW-UHFFFAOYSA-N	406.248	3.644	10	20	HHCD	
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)NCc1ccc(N2CCSCC2)cc1	752652591	WLKRYSYHRNICEN-MAUKXSAKSA-N	405.589	3.613	10	20	HHCD	
Cc1ccc(-n2cnc3c2CCN(C(=O)NCc2ccc4c(c2)CCCN4C)C3)cc1	753447670	YASDGRSPTXORAT-UHFFFAOYSA-N	415.541	3.831	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@H]21	753587919	FJLKBGUZAJUSNN-KSEOMHKRSA-N	415.578	3.648	10	20	HHCD	
CN(CCc1nccs1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	753604416	FFZONZNCOLBVLN-UHFFFAOYSA-N	410.490	3.597	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(Cc4cccs4)oc3=S)CC2)cc1F	754015020	VKQJLIKFKNMPJQ-UHFFFAOYSA-N	420.535	3.785	10	20	HHCD	
C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1cc(Br)c(F)cc1O	756477827	ZKDAVMIPCVAMIQ-GFCCVEGCSA-N	416.312	3.808	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	758965851	SNIGJKKPESNITE-IBGZPJMESA-N	411.546	3.804	10	20	HHCD	
CC[C@H](NC(=O)NCCCSc1nccs1)[C@@H](O)c1c(F)cccc1F	759588858	DWPMYLHCZUMVGY-DZGCQCFKSA-N	401.504	3.715	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(OCCF)c3)cc2)CC1	760104227	ISADGIFRQJIDFC-UHFFFAOYSA-N	413.493	3.526	10	20	HHCD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	763009740	LWBILBUUJKMIQJ-DHJUGAMNSA-N	420.557	3.511	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NCC1(c2ccc(F)cc2F)CC1	764799761	LICNVCHLSRTJOX-UHFFFAOYSA-N	411.246	3.964	10	20	HHCD	
COc1cc(C)c([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1OC	765246764	VVGPLDHBORMCHS-MJGOQNOKSA-N	411.546	3.565	10	20	HHCD	
O=[N+]([O-])c1ccc(Br)cc1NCc1ccc(N2CCOCC2)c(F)c1	765471060	UWHVIQIBBCKRCR-UHFFFAOYSA-N	410.243	3.945	10	20	HHCD	
C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1O	765826506	YUTWKJWBMQEGRR-KBXCAEBGSA-N	423.340	3.820	10	20	HHCD	
Oc1c(Br)cccc1CNC(=S)Nc1ccc2c(c1)OCCCO2	765992389	KIOLNFKHCMUPQX-UHFFFAOYSA-N	409.305	3.803	10	20	HHCD	
Cc1cnc(N2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)s1	769455385	AITZSUPKDBERFV-UHFFFAOYSA-N	401.536	3.672	10	20	HHCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)[C@H](CO)c1cccc(Br)c1	769528803	YGVOVOYGJGAIMD-OAHLLOKOSA-N	415.671	3.882	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc([N+](=O)[O-])c2nsnc2c1	771502053	OVCUVSFWTBTLLX-UHFFFAOYSA-N	411.487	3.862	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2cnc(N(C)C)n2C)cc1	772691718	CKFFEELMUZGMGX-UHFFFAOYSA-N	405.506	3.898	10	20	HHCD	
C[C@@H](C(=O)NCC(F)(F)F)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	772756034	WCIJHPNCDJXBPG-ZDUSSCGKSA-N	415.456	3.531	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccccc3CC(=O)OC)ccc21	773420857	JCXCFBXPYXMUBH-UHFFFAOYSA-N	408.498	3.550	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C)c1ccc(N(C)C)cc1	773854987	YLFGTXQIMLISHW-HNNXBMFYSA-N	421.545	3.753	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCOc2cc(N(C)C)ccc21	774754662	WOUHSVOAOJBLIB-SFHVURJKSA-N	408.546	3.969	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cccc(C(=O)NCc3ccccc3)c2)c1O	774938877	PHRBGZYMTSIEPY-UHFFFAOYSA-N	407.426	3.851	10	20	HHCD	
COc1cc(CNCc2ccc([N+](=O)[O-])c(OC)c2O)ccc1OCC(F)(F)F	774962151	HQXSYSOWGAVVCL-UHFFFAOYSA-N	416.352	3.549	10	20	HHCD	
CC[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cc(Cl)ccc1O	775543929	KHRUKHYCRBJOFP-LJQANCHMSA-N	403.910	3.880	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC	776222477	GMWZWYIFJGWWJV-OAHLLOKOSA-N	408.445	3.769	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1	776900015	NDXIQBBYIDIPNN-AWEZNQCLSA-N	407.436	3.843	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	777267139	RULICRVVXRDJAS-ICSRJNTNSA-N	418.582	3.930	10	20	HHCD	
Oc1ccc(F)cc1CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1	778994799	MHAFCCRDEDDUND-UHFFFAOYSA-N	402.857	3.553	10	20	HHCD	
Cc1ccc(CNC(=O)c2ccccc2NC(=O)/C=C/c2ccc(O)c(O)c2)cc1	779494313	XKQQXXGHWLFAHA-ACCUITESSA-N	402.450	3.988	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)CC3(O)CCCCCC3)cc2F)C[C@H](C)O1	779527489	ACUGTZMQZSEWPC-ROUUACIJSA-N	421.557	3.666	10	20	HHCD	
Cc1cc(Br)cc(Cl)c1NS(=O)(=O)c1cccc2nonc12	780374116	KMAZZZNDGSGHOY-UHFFFAOYSA-N	402.657	3.748	10	20	HHCD	
CCOC(=O)c1c(C)oc2nc(CN(c3ccc(OC)c(F)c3)C(C)C)nc(N)c12	781896578	HUJCTSHMPYJOKF-UHFFFAOYSA-N	416.453	3.853	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)c(OC)c(OC)c2)c1	786408892	JOSCZNJAPLJMES-SNVBAGLBSA-N	410.264	3.672	10	20	HHCD	
COc1ccc(CNC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c(O)c1	794376118	AFLRYHSJPFSTPU-UHFFFAOYSA-N	414.465	3.887	10	20	HHCD	
CCOc1ccc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c(O)c1	796390994	DECKFOKJTHPEEA-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cc(C)c(C)cc1O	796391278	IFYMVJXLDLKMOM-UHFFFAOYSA-N	404.532	3.804	10	20	HHCD	
C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc2c(c1)OCC(=O)N2	796695033	NFZQCWQSSOFSFH-OAGGEKHMSA-N	413.493	3.621	10	20	HHCD	
CC(C)n1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	797680902	VLSVUFVNVNPESO-UHFFFAOYSA-N	411.428	3.641	10	20	HHCD	
C[C@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800571156	GEMXGIOTDYILMA-CVEARBPZSA-N	405.970	3.887	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1	802263575	GOPUOOGQGMIPQE-FQEVSTJZSA-N	409.530	3.753	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H](CN1CCOCC1)c1ccccc1	804897231	INXMWFANZPHVPW-SFHVURJKSA-N	424.328	3.572	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H](C)c3ccc(F)cc3)cc2)CC1	805024680	TWWCRMWKUMGQSM-GOSISDBHSA-N	411.521	3.898	10	20	HHCD	
Cc1cccc(O[C@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	807636188	KZSNYPRDQVORBA-HXUWFJFHSA-N	423.557	3.527	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2	808093834	VXWWTRCVNJLBPG-HXUWFJFHSA-N	423.918	3.777	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)c1	810347386	BXVOFWREQIZELE-LBPRGKRZSA-N	418.287	3.641	10	20	HHCD	
COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c3c(c2)OCO3)SC1=S	814273353	IXHDIODQRVBVNP-CXUHLZMHSA-N	401.465	3.838	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)Cc3ccc(C(F)F)cc3)CC2)cc1	814995614	LQTTYJYXGXTHFI-UHFFFAOYSA-N	410.486	3.675	10	20	HHCD	
CC(=O)Nc1cccc(NC(=S)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	913140488	FNVGPIYIXOFRBG-UHFFFAOYSA-N	413.381	3.886	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)NCc3ccc(N(CC)CC)cc3)cc2)CC1	916671887	XNLDFXQRZFHKGS-UHFFFAOYSA-N	409.578	3.996	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1nnc2ccccn12	919655851	VUIBFZHCSILLSK-KRWDZBQOSA-N	418.501	3.861	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cc4ccccc4s3)cc2)C1	920419455	BYRREYUTWJEQRL-GOSISDBHSA-N	422.554	3.602	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(OCc2cccnc2)cc1)c1ccc(N2CCOCC2)cc1	920881549	FBDJBFRGXWMAMS-LJQANCHMSA-N	417.509	3.988	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@](C)(C(=O)OC)c3ccccc3)ccc21	1318236686	NOYYJDSHQRQZFR-DEOSSOPVSA-N	408.498	3.723	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(Br)cn1	1321101335	TXBIYHXCJADBOD-AWEZNQCLSA-N	407.331	3.586	10	20	HHCD	
CC(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821291021	OXCBHTIODIDXOX-HNNXBMFYSA-N	420.897	3.826	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1	7105442	SELKCJDFQSAEQS-UHFFFAOYSA-N	413.572	3.816	10	20	HHCD	
O=C(c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1)N1CCCCCC1	55650921	NAJKUHNTCDDGDL-UHFFFAOYSA-N	416.528	3.508	10	20	HHCD	
C[C@H](NC(=O)N1CC=C(c2ccc(O)cc2)CC1)c1ccc(N2CCOCC2)cc1	65435746	PPMSJORVUXRLIF-SFHVURJKSA-N	407.514	3.789	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1	27960303	YJBWAVLNUSVSBE-NRFANRHFSA-N	410.514	3.829	10	20	HHCD	
CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(C)Cc1ccc(N(C)C)cc1	28494955	VWYYRTOCUGVBRT-OAQYLSRUSA-N	414.525	3.518	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	301750160	PFBCUNUGRKOHMV-UBLKFNIESA-N	409.486	3.882	10	20	HHCD	
c1ccc(OCCOc2ccc(CNCc3ccc(N4CCOCC4)cc3)cn2)cc1	236738143	APZBQVOEZYZSGC-UHFFFAOYSA-N	419.525	3.666	10	20	HHCD	
COc1ccc(N2CCC(NCc3ccccc3N(C)C3CCN(C)CC3)CC2)cc1	237572550	WIQDZDQEDBXTSM-UHFFFAOYSA-N	422.617	3.984	10	20	HHCD	
Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)n2)s1	806899238	CAUPJNLCOYPJQF-UHFFFAOYSA-N	414.556	3.809	10	20	HHCD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805026240	HJKRNLVSWGMUME-LEWJYISDSA-N	417.619	3.720	10	20	HHCD	
CN(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[C@@H]2CC[C@H](C1)N2C	806878134	MJMDFOURDCVRRV-YJJAZYOBSA-N	422.520	3.523	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)C2CC2)cc1	809193530	PVDMNZKZMWHINW-FCHUYYIVSA-N	419.569	3.771	10	20	HHCD	
CC(C)(C)c1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1	806745021	DBCFRMPEYAWWND-UHFFFAOYSA-N	404.461	3.774	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2Cl)C1	800048395	ADPUJPJOVZBGLG-CQSZACIVSA-N	419.913	3.733	10	20	HHCD	
Cc1ccc(NC(=O)C2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)nc1	472278088	QZRYYTYPSBLZBE-UHFFFAOYSA-N	419.529	3.750	10	20	HHCD	
O=C(NCCCc1cccc(F)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1	805235845	IPKVAPHWDBZMAB-UHFFFAOYSA-N	412.505	3.942	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNCc3ccc(OCC(N)=O)cc3)cc2Cl)C1	800277484	XEVYSHJNRIXMIE-INIZCTEOSA-N	401.938	3.730	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](CCO)c3ccc(Cl)cc3)CC2)cc1	806684404	WDWNJLYBEUHKLY-NRFANRHFSA-N	417.937	3.740	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(CCC(N)=O)c3cccc(C)c3)ccc21	483605910	JJUBKPYKSYKXOB-UHFFFAOYSA-N	407.514	3.735	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1	813334608	RKWALIJRHZNSNH-UHFFFAOYSA-N	407.967	3.610	10	20	HHCD	
Cc1nsc(C)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	815710565	PDYZQUKLNUMHPO-KRWDZBQOSA-N	418.563	3.822	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1	814211846	SCVIICPCKDVKPM-UHFFFAOYSA-N	402.563	3.708	10	20	HHCD	
COCc1nc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cs1	810456082	UMIRZJZLVFZQGY-UHFFFAOYSA-N	409.471	3.960	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2c(F)c(F)c(F)c(F)c2F)SC1=S	814269183	NXJRPJYCBUWKMC-FNORWQNLSA-N	411.373	3.537	10	20	HHCD	
CCCOc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)OC)c3)cs2)cc1	727247513	AMOJWBVOFABLOF-UHFFFAOYSA-N	421.500	3.514	10	20	HHCD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	728311036	XJMIQDPJUNJPNW-SBHAEUEKSA-N	400.567	3.546	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC(C)(C)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1	726613229	PBEXYHLFPQGESG-RTBURBONSA-N	416.610	3.720	10	20	HHCD	
C[C@H](NC(=O)N(C)C[C@@H]1OCCc2ccccc21)c1ccc(N2CCOCC2)cc1	725865784	PCIXFXNYDKVUGE-MBSDFSHPSA-N	409.530	3.540	10	20	HHCD	
CC[C@@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	729078328	IPALSEDBGFSDKF-GARZTLJTSA-N	414.346	3.992	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)c1	732882106	XNKPNVJSHKJFLP-CQSZACIVSA-N	406.504	3.607	10	20	HHCD	
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	730074357	BNATYBMKVSMUBT-IBGZPJMESA-N	403.592	3.631	10	20	HHCD	
CN(c1ccc(CNC(=O)NCCCN2CCCCC2=O)cc1)C1CCCCC1	730124087	TXZUZLUKRUQBLT-UHFFFAOYSA-N	400.567	3.657	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1F	731345534	APESWCZNUSKOGL-UHFFFAOYSA-N	421.463	3.777	10	20	HHCD	
CC(C)(C)CN(CCCO)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	730127658	UGCAXINEXRRPBL-UHFFFAOYSA-N	413.509	3.697	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c2C)cc1	731651653	PWUPIJAJSBVWAA-UHFFFAOYSA-N	409.442	3.820	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COc3ccc(OCC(N)=O)cc3)c2C)cc1	739899204	GCEIVFVJANGHBT-UHFFFAOYSA-N	422.481	3.619	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](CC(N)=O)C2)c(C)n1-c1ccc(Br)cc1	746652589	DMEIAHKBHKZNEH-OAHLLOKOSA-N	418.335	3.584	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(c2cccc(Cl)c2)CC1	740031986	PAGCNNGDGMDDKF-UHFFFAOYSA-N	417.912	3.847	10	20	HHCD	
CCOC(=O)c1ccsc1NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C	917074984	NUPRPTZGUJULHM-UHFFFAOYSA-N	403.548	3.840	10	20	HHCD	
CNc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-]	742801322	PJGVJUKQYIFVNV-AWEZNQCLSA-N	420.416	3.637	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Oc4ccccc4)o3)cc2)C1	748705390	SXNCLWLZIBDUMO-SFHVURJKSA-N	419.481	3.704	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCN(C4CCCCC4)C3)cc2F)C[C@@H](C)O1	748845929	MKEKJAAKSGCQKW-GGPKGHCWSA-N	417.569	3.710	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(F)cc1	745389825	SYFOVJLSPWYFQQ-OAQYLSRUSA-N	408.477	3.732	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)Cc2cccc(F)c2)NC(=O)OC(C)(C)C)cc1	742751104	RMJSTPFDWLILSI-FQEVSTJZSA-N	415.509	3.816	10	20	HHCD	
C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)Cc1ccccc1O	749839778	FFYCFWKNUHPUCJ-CYBMUJFWSA-N	412.471	3.883	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCOc2ncccc2C(F)(F)F)C2CC2)cc1	747442990	AIAXZBDKDGYNBL-UHFFFAOYSA-N	422.451	3.919	10	20	HHCD	
c1ccc2sc(N3CCC(NCc4ccc(N5CCOCC5)cc4)CC3)nc2c1	742725190	IXARXFBPUGZHPW-UHFFFAOYSA-N	408.571	3.892	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CCC3(C2)OCCO3)c(C)n1-c1ccc(OC(F)F)cc1	741779008	MWSPVKUMAKDIGS-INIZCTEOSA-N	420.456	3.716	10	20	HHCD	
Cc1ccc(N(C)[C@H]2CCCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)cc1	758397405	PITIWDLSRHXREK-DEOSSOPVSA-N	422.573	3.642	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2)cc1F	753865426	WJEVJLSKIRLJKT-UHFFFAOYSA-N	423.872	3.859	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC(=O)N2CCCc3ccccc32)cc1	920045404	KPJWEPORPRQFQO-UHFFFAOYSA-N	408.546	3.654	10	20	HHCD	
C[C@H](NC(=O)N1CCc2c([nH]c3ccccc23)C1)c1ccc(N2CCOCC2)cc1	759316249	BGSROHYGJCRHTR-KRWDZBQOSA-N	404.514	3.833	10	20	HHCD	
CN(C(=O)COC(=O)c1cccc(O)c1O)[C@@H](c1ccccc1)c1ccc(F)cc1	758549087	XWHZWFJKAPUDMC-NRFANRHFSA-N	409.413	3.642	10	20	HHCD	
CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756543721	IAKAPRCHXRSDRC-CVEARBPZSA-N	416.497	3.993	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cncc(Cl)c4)n3)ccc2N1	754695148	VINXZTVWJQPLLR-UHFFFAOYSA-N	420.903	3.544	10	20	HHCD	
CCCC(O)(CCC)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	756778352	UVWBKSSRAVSINW-UHFFFAOYSA-N	416.484	3.880	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@@H](C)c3cc(Br)ccc3O)C2=O)cc1	756711188	JUOHAJZMEZCWPV-UGSOOPFHSA-N	419.319	3.615	10	20	HHCD	
COCCS(=O)(=O)c1ccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)cc1	760016016	JZXMTJQZPHTCMV-MRXNPFEDSA-N	403.544	3.542	10	20	HHCD	
O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OC(F)F)SC(=S)N1Cc1ccon1	764419702	ZWCOSYWMTYSRQR-WUXMJOGZSA-N	413.383	3.586	10	20	HHCD	
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1	769722526	OLCXAOIDUGLQGS-OAQYLSRUSA-N	402.922	3.896	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@](C)(O)c3cccc(Cl)c3)CC2)cc1	765883029	OREGICALLQPRKL-JOCHJYFZSA-N	417.937	3.524	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)nc1Cl	767921913	ASKBDFGLIJXTSX-KRWDZBQOSA-N	403.910	3.631	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O	768352633	POPTVAGYWSZOBQ-CQSZACIVSA-N	415.328	3.652	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1Br	776748705	CWLOKOSSVRYQLV-UHFFFAOYSA-N	407.629	3.517	10	20	HHCD	
CC1(C)C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C(C)(C)O1	778733010	WTMRUFSWXRDWML-KRWDZBQOSA-N	411.493	3.902	10	20	HHCD	
CC[C@@H](NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccccc1O	775484596	GDICIQMQSNHSCI-UXHICEINSA-N	400.519	3.524	10	20	HHCD	
C[C@H](NC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C)c1ccc(N(C)C)cc1	773611613	PYRJVEKQJSCRAU-IKGGRYGDSA-N	404.555	3.758	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(Oc3ncccc3F)CC2)cc1F	772359068	SUXDBBYXFXWLCA-UHFFFAOYSA-N	418.488	3.959	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1	779516301	DSUXGWVMWCWOPR-BENRWUELSA-N	415.511	3.997	10	20	HHCD	
CC[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1O	775518051	CFCFGXRRNQHMGI-MSOLQXFVSA-N	403.320	3.997	10	20	HHCD	
CC[C@@H](NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	775502732	YTYKMTBLWLCJBU-CVEARBPZSA-N	402.366	3.682	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2CCN(c3ccccc3Br)C2)cc1OC	776177449	OBPQLZLYOBBNTI-CQSZACIVSA-N	407.308	3.540	10	20	HHCD	
C[C@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(N(C)C)cc1	776406155	VKUQTNVMXSBAJZ-NSHDSACASA-N	420.296	3.533	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](c2ccccc2Cl)N2CCCC2)c1O	774942101	HEAREYRMXOPPGZ-GOSISDBHSA-N	405.882	3.889	10	20	HHCD	
Cc1cc(C)c([C@@H](C)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(O)c1	788801057	XYBOCNUQOANLNI-UYAOXDASSA-N	414.521	3.516	10	20	HHCD	
O=C1C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21	789652124	RYNDYAQSWOMSOU-KUHUBIRLSA-N	400.425	3.743	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(F)ccc1C	785191499	CQUIYNHTKFSKJH-UHFFFAOYSA-N	409.255	3.589	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(Br)ccc2Br)c(O)c1	794388631	YTRZQJQXKYYHTH-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc([C@H]2CCCOC2)nn1C	790546676	QHFALHWALPIXQW-IBGZPJMESA-N	411.550	3.968	10	20	HHCD	
Cc1cc(C(=O)NCC(C)(C)N2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1	1318552057	DFZWBRMZZBUZAJ-UHFFFAOYSA-N	410.606	3.973	10	20	HHCD	
COc1cc(F)cc(F)c1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	1318654531	GTGYILHNUXJVEB-UHFFFAOYSA-N	410.486	3.784	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3nc(-c4ccc(C)c(OC)c4)no3)CC2)cc1	1319847553	OAQHSZCPHCTKPM-UHFFFAOYSA-N	408.502	3.775	10	20	HHCD	
CN1CCN(c2ccc([C@@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)cc2F)CC1	1317946802	ULEXGPRQDLMHFY-LJQANCHMSA-N	422.426	3.706	10	20	HHCD	
COC(=O)N1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	1321256348	MQMRZCHXXVTMFS-MRXNPFEDSA-N	422.957	3.560	10	20	HHCD	
COc1cc(C)c(CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1OC	1336943145	KCUKJZRWRQUMKU-UHFFFAOYSA-N	401.526	3.535	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H](CO)CC2CCOCC2)c1	1339273199	UXKIPAYEWOVUCJ-SFHVURJKSA-N	404.938	3.903	10	20	HHCD	
CC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1	1809136163	AONSXOIFSYFCDC-UHFFFAOYSA-N	408.926	3.642	10	20	HHCD	
CN(C)c1cc(Br)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1	551598342	YXALODLGCGQKEB-UHFFFAOYSA-N	404.308	3.620	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1	801550082	NDKOPDHYVJEKRG-UHFFFAOYSA-N	418.559	3.506	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(Cl)n1	800925703	VXEUKPSKFNHTQG-UHFFFAOYSA-N	410.864	3.876	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1O	809746564	XRAIUSMQNSGYOC-CYBMUJFWSA-N	419.865	3.545	10	20	HHCD	
CCN1CCN(C(=O)Cc2ccc(NCc3ccc4ccccc4c3O)cc2)CC1	816527234	BBKNOEKFERTROI-UHFFFAOYSA-N	403.526	3.864	10	20	HHCD	
C[C@H](NC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1ccc(N2CCOCC2)cc1	727477907	LCMSXLMVMIHGNY-JTSKRJEESA-N	413.493	3.506	10	20	HHCD	
COc1ccc(OC)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726565577	DDCJEGVBUXRKCA-UHFFFAOYSA-N	406.429	3.704	10	20	HHCD	
CCOc1ccccc1[C@H](CC(=O)N(CC)Cc1ccc(N(C)C)cc1)NC(C)=O	728271192	VQIFHZZIWAFHLD-QFIPXVFZSA-N	411.546	3.767	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(F)c(F)cc1F	729786732	TUVOQHQNRXETOC-UHFFFAOYSA-N	405.420	3.691	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cc(F)ccc3Cl)CC2)cc1	728122314	HSNMUNLCVOZYJF-UHFFFAOYSA-N	420.916	3.822	10	20	HHCD	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc21	734740107	KLPNNQHCZXZDJH-UHFFFAOYSA-N	413.524	3.828	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1Oc1ccncc1	734426662	UGWGFNYUGDMMBR-UHFFFAOYSA-N	403.482	3.949	10	20	HHCD	
CCO[C@@H](C)c1noc(COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1	736814450	VRPNULZSAFKIMD-HNNXBMFYSA-N	401.463	3.742	10	20	HHCD	
CN1CCCc2cc(CNC(=O)/C(=C\c3ccco3)NC(=O)c3ccccc3)ccc21	732958694	LLODDAGVEJOXBT-CJLVFECKSA-N	415.493	3.749	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCCN1CCN(c2ccccc2)CC1	731280757	CSIWLSLQLLFUNG-UHFFFAOYSA-N	410.562	3.526	10	20	HHCD	
COC(=O)Nc1ccccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	733133053	GUGDUWRCSNACOU-HUUCEWRRSA-N	415.465	3.548	10	20	HHCD	
O=C(c1cc(F)cc2nc(S)[nH]c12)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517033	GDPFUGPXTJKQJJ-AWEZNQCLSA-N	401.463	3.518	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1	731278485	DENCCGBDHWNYNN-OAQYLSRUSA-N	415.509	3.526	10	20	HHCD	
Cc1cc(CC(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	733226833	CQBVXOYKZWTLGX-HNNXBMFYSA-N	422.978	3.714	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1	747450335	PPBVRVGQYAPIEK-ROUUACIJSA-N	409.530	3.700	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1	918444179	MPIFSPHQIRAVKN-UHFFFAOYSA-N	413.493	3.897	10	20	HHCD	
CN(CCCCc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	918123340	UUMAFGIPHZNGNJ-QFIPXVFZSA-N	422.573	3.553	10	20	HHCD	
O=Cc1ccc(OCCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742800159	PEENEASHXXAIDJ-QGZVFWFLSA-N	418.440	3.655	10	20	HHCD	
C[C@@H]1CCCCN1CCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745334693	XULFVSLWPQBZOX-MSOLQXFVSA-N	424.536	3.821	10	20	HHCD	
CC(C)c1nn(C)c(Cl)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	741538975	DISDTIJEKWMOCG-KBPBESRZSA-N	422.932	3.880	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccccc3N3C[C@H](C)O[C@H](C)C3)CC2)cc1	916696929	CSNQTTABDMMAIO-KDURUIRLSA-N	424.545	3.663	10	20	HHCD	
CCCOc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	742557313	SNDJAEGLSWSUIC-UHFFFAOYSA-N	400.494	3.700	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1N1CCCCC1	916668652	WXUSUBIKTMVJRF-UHFFFAOYSA-N	412.509	3.974	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCn4cccc4[C@@H]3C)cc2F)C[C@@H](C)O1	918221362	PALVKCXEAMCPIJ-BBWFWOEESA-N	400.498	3.527	10	20	HHCD	
Cc1cccc(F)c1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	744369070	AZLYQONQBOBTDF-UHFFFAOYSA-N	418.380	3.748	10	20	HHCD	
CCOCCO[C@H]1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	749805898	IOVXZDRHUUJAFP-QFIPXVFZSA-N	403.567	3.793	10	20	HHCD	
CC(C)n1cnnc1-c1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1	753558370	RHVFXEDRYSAOKJ-UHFFFAOYSA-N	420.517	3.684	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)c2C)c1	750131616	FYMVNKFRNOIXLU-HXUWFJFHSA-N	422.525	3.777	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	759003310	OFDUFZZUUVUKRL-PXNSSMCTSA-N	423.579	3.838	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)N3CCC[C@H]3c3cccs3)CC2)cc1F	753858504	UTOFZFNTMFEBSH-LPHOPBHVSA-N	417.550	3.770	10	20	HHCD	
C[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(F)cc1O	756608768	LXQBOTIEHMZUMR-CQSZACIVSA-N	412.552	3.661	10	20	HHCD	
COCCN(C[C@@H](O)c1ccccc1Br)c1ccc(OC)c(OC)c1	752018862	HWXSCWMAXWYQME-QGZVFWFLSA-N	410.308	3.653	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCSC1	756378188	WIMOEGZMCWEMST-HLVNSREUSA-N	412.627	3.693	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H](c1ccc(C)cc1)n1cncn1	756044592	GHEPFSOXNQKXEI-ZEQRLZLVSA-N	405.546	3.581	10	20	HHCD	
O=C(CSc1nnc(Cn2cncn2)o1)Nc1ccc(N=Nc2ccccc2)cc1	921160268	DDALOTSUTUOFML-UHFFFAOYSA-N	420.458	3.856	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(F)c(N2CCOCC2)c(F)c1	857508384	QJYPKCXAAKMJPG-UHFFFAOYSA-N	417.239	3.744	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCCc1nc(-c2ccc(F)cc2)no1	753219887	MMSRFICDNZRTBN-UHFFFAOYSA-N	421.523	3.746	10	20	HHCD	
C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(N2CCOCC2)cc1	754169781	OAJUWOGKVXZZAM-GJZGRUSLSA-N	401.438	3.551	10	20	HHCD	
Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1F	764377003	KXHWPYIIVLYAJP-KBPBESRZSA-N	419.428	3.725	10	20	HHCD	
O=C(NCCOc1ccc(C(F)(F)F)cn1)NCc1c(O)ccc2c1CCCC2	760837534	RLBMPRRCWQSAFL-UHFFFAOYSA-N	409.408	3.563	10	20	HHCD	
C[C@H](NC(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2)c1ccc(N(C)C)cc1	776249892	RNMUTFNJDPZAJG-VDGAXYAQSA-N	416.566	3.997	10	20	HHCD	
CCC(CC)n1nc(C)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	775765628	QHGUCSAYZHAJDS-UHFFFAOYSA-N	402.514	3.583	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cc(C)oc2C)nc1-c1ccccc1	776302585	QSIXOPIRQCWOKR-UHFFFAOYSA-N	406.485	3.536	10	20	HHCD	
Cc1ccc(-n2nc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2C)cc1	776032540	WTOPMTQANXUROQ-UHFFFAOYSA-N	423.492	3.787	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(C(=O)OCc2ccccc2)c1	779514739	QVWROEQVZQWBPY-BENRWUELSA-N	403.434	3.784	10	20	HHCD	
COCCC1(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCCCC1	776119828	MLZREWLANLQZRR-IBGZPJMESA-N	403.567	3.870	10	20	HHCD	
COc1ccc2c(c1)nc(CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)n2C	771393262	VYSKILNQFBCNQQ-UHFFFAOYSA-N	409.534	3.768	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(-c2nc(CCN3C(=O)NC4(CCCC4)C3=O)no2)cc1	771197645	OLPSKHAMBDFRRA-UHFFFAOYSA-N	419.485	3.551	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c(C)n1-c1cccc(Cl)c1	771655513	APNCBJOTINXYJD-INIZCTEOSA-N	402.970	3.503	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(N(C)C)cc1	773021758	BUWNOYSDYCWDRH-IFCGJNOESA-N	417.912	3.942	10	20	HHCD	
O=C(c1cc(-c2ccc3c(c2)CCO3)no1)N(Cc1ccccc1O)C[C@@H]1CCCO1	771565018	HRUDXJLJQUMWAF-IBGZPJMESA-N	420.465	3.804	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(OC(C)(C)C)cc2)cc1	788938199	CBSUHUXSFWYIKD-UHFFFAOYSA-N	411.546	3.643	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnc(-c2ccccc2)nc1	780713016	FSBWLVVTJGUGGW-UHFFFAOYSA-N	410.543	3.809	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)cc1	785444772	UVXWUPDSWYINSO-QHCPKHFHSA-N	419.500	3.608	10	20	HHCD	
Cc1cc(C)c(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)c1	787308994	ZCQLFHVGNLXFAY-UHFFFAOYSA-N	407.558	3.877	10	20	HHCD	
O=C(OC[C@@H]1CC1(Cl)Cl)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785408793	YWWLYFQOYLHQCY-VIFPVBQESA-N	422.311	3.605	10	20	HHCD	
O=C(COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(O)c(O)c1	783563878	CKOWHZRSHOALAJ-UHFFFAOYSA-N	407.300	3.811	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccccc1N1CCCCC1	788293227	AYXLWKQTYORCHH-UHFFFAOYSA-N	423.557	3.828	10	20	HHCD	
O=S(=O)(NC1CCCC1)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	781920679	JMAOIWCJFKCBDW-OAHLLOKOSA-N	407.363	3.525	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@@H](c3cccc(C)c3)C2)c1	784025903	QHLVYZKGEQSKFF-OAQYLSRUSA-N	408.542	3.725	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(F)c(Cl)c2)cc1	786948311	RSFJBDGFBKAISU-UHFFFAOYSA-N	405.901	3.600	10	20	HHCD	
C[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1c[nH]c2ccccc12	782724522	DMCGIOQQGWVSIF-MJGOQNOKSA-N	418.541	3.680	10	20	HHCD	
Cc1ccc([C@@H](NCc2cc(Br)ccc2O)[C@@H](C)S(C)(=O)=O)cc1	798088716	SHFJTGCDMHTJRO-ACJLOTCBSA-N	412.349	3.727	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CCc2ccccc2C(N)=O)c1C	795813617	KENGSGRRXGVLRE-UHFFFAOYSA-N	418.493	3.860	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cncc(F)c1	798534593	SCTNIYISYJAFTP-RIYZIHGNSA-N	407.517	3.902	10	20	HHCD	
C[C@@]1(C(=O)NCCCSc2nccs2)CCN(C(=O)OCc2ccccc2)C1	793499074	SQFWTECXBXODJT-HXUWFJFHSA-N	419.572	3.790	10	20	HHCD	
CN(C)CCn1c(=O)oc2ccc(NCc3ccc(N(C)C)cc3C(F)(F)F)cc21	793049860	AGKHMJGKMYBFOE-UHFFFAOYSA-N	422.451	3.853	10	20	HHCD	
Cc1cccc(CCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	793832712	XOMJNCCULSEWGC-UHFFFAOYSA-N	419.525	3.542	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCc2ccccn2)c(F)c1	797632318	AOVQXHAAEOVRCI-CQSZACIVSA-N	411.433	3.964	10	20	HHCD	
COc1ccc(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c(O)c1	794370613	QSOKEZBVJYFNCH-UHFFFAOYSA-N	403.438	3.558	10	20	HHCD	
CC(C)c1ncc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cn1	797055398	VMTOFJPXYUFWMR-MRXNPFEDSA-N	403.486	3.915	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)cc3F)sc2n1	14152215	YPIVGNBFOBXOPQ-JTQLQIEISA-N	405.426	3.958	10	20	HHCD	
O=C(COC(=O)CCc1ccsc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	22155465	GKXFWFANQZPGHL-UHFFFAOYSA-N	419.458	3.638	10	20	HHCD	
Cc1noc(C)c1CSCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	69435678	SBYVLFXNPDYYQR-HXUWFJFHSA-N	417.575	3.798	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(Cn3cccn3)o2)c(C)n1-c1ccccc1	106114419	NAISUDCMOZBXNH-UHFFFAOYSA-N	403.438	3.972	10	20	HHCD	
Cc1cc(C)c(NC(=O)CNC(=O)CN(Cc2ccccc2O)C2CCCC2)c(C)c1	112601647	KSGLIYDYVUQDBL-UHFFFAOYSA-N	423.557	3.817	10	20	HHCD	
C[C@H](NC(=O)COc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	145662904	QTUBTYUXCCPFHP-HNNXBMFYSA-N	408.420	3.798	10	20	HHCD	
CN(Cc1ccncc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	146521270	AAOKHHGPDOLRSC-VBKFSLOCSA-N	417.581	3.783	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(-c4nncn4C)c3)ccc21	482784680	XRNWUFLSKJJURB-UHFFFAOYSA-N	403.486	3.952	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1O	725850096	JTNTVBAPMRJGMB-CQSZACIVSA-N	406.744	3.676	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2CCC[C@@H]2CO)sc(C)c1-c1ccccc1	726071288	SPHSYIPOFAIGKR-QGZVFWFLSA-N	416.543	3.686	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3csc(-c4ccccn4)n3)CC2)cc1	726560751	LEADZWYZANDSKP-UHFFFAOYSA-N	408.527	3.541	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)Nn1cnc2ccccc21	726611563	VIVZSYCYKGATIS-UHFFFAOYSA-N	401.417	3.560	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1O	729550355	DLNLJHMTOHJYSZ-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(F)c(F)c3F)cc2F)CC1	730132893	IBEVUGBETWHVMR-UHFFFAOYSA-N	410.415	3.707	10	20	HHCD	
COc1ccc(N2CCC3(CC2)Nc2ccccc2C(=O)N3C[C@H]2CCCO2)cc1	731298807	NXXQOQAVGVLSNG-HXUWFJFHSA-N	407.514	3.739	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCCNc3ccccc3)cc2F)C[C@@H](C)O1	731543546	NPIJFZIAZUCXMJ-QZTJIDSGSA-N	414.525	3.741	10	20	HHCD	
C[C@]1(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCc2ccccc21	734215823	JAKQMZTUYOEXGG-DEOSSOPVSA-N	411.521	3.838	10	20	HHCD	
Cc1ccc(C(=O)NCCNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1F	735887487	SNJRKWGDQCGDHF-UHFFFAOYSA-N	414.525	3.550	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cs1	743046155	CLNKSKABYJSAGA-UHFFFAOYSA-N	415.543	3.532	10	20	HHCD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743648636	OKAVNLJFUACWPH-AXUOBQJMSA-N	423.504	3.760	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCNC(=O)c1cccc(F)c1	745812676	BXKOPFRNQKWXEX-UHFFFAOYSA-N	414.525	3.632	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC(C)C)cc1	746171088	NZERICRJQCFKLA-UHFFFAOYSA-N	424.950	3.853	10	20	HHCD	
CC(C)n1c2ccccc2n2c(SCC(=O)NCc3ccc(N(C)C)cc3)nnc12	748654867	RODFONBBDVXWCP-UHFFFAOYSA-N	422.558	3.739	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1	748822630	IBAWOLIMFJWCLX-IBGZPJMESA-N	418.335	3.798	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(Br)c(F)c1	751567755	FHPVKXBPFBMWJE-UHFFFAOYSA-N	421.310	3.626	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)CC2)cc1F	753918319	BFVDEZNQCGEHPM-GOSISDBHSA-N	419.884	3.843	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	754553995	VVURJOSDJHZHQL-UHFFFAOYSA-N	400.390	3.893	10	20	HHCD	
C[C@@H](N[C@H](C)c1cc(Br)cc(Br)c1O)C(=O)NC(C)(C)C	756488259	MGDMLONEUXYILB-RKDXNWHRSA-N	422.161	3.871	10	20	HHCD	
CCC(=O)N1CC[C@@H](N[C@@H](C)c2cc(Br)cc(Br)c2O)C1	756654284	KAMZXNZIUPSTLU-GXSJLCMTSA-N	420.145	3.579	10	20	HHCD	
CC[C@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1	759266399	IYZQKVMEWREKLM-DLBZAZTESA-N	405.539	3.513	10	20	HHCD	
COCCC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1	760828633	KXAYHIXCDJMEBF-UHFFFAOYSA-N	411.493	3.763	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@@](=O)C[C@H](C)C2)c(C)n1-c1ccc(Br)cc1	762549303	UIUMDXOKZDZPCP-YMXBGEKHSA-N	423.376	3.697	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)s1	763108180	KHNZNDMIHREWNQ-LFIBNONCSA-N	419.549	3.972	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2ccc(N(C)C)cc2)cc(Br)c1F	763876718	WWEXMMLTIDKZHI-UHFFFAOYSA-N	424.270	3.763	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])c2)CC1	770148163	QHYRVGSGPHRYNT-UHFFFAOYSA-N	400.504	3.711	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ncoc1-c1ccc(F)cc1	771372823	SJZDOVYFBMBRJD-UHFFFAOYSA-N	409.461	3.619	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(Oc3ncccc3F)CC2)cc1	772337934	CPLWMKSCLYKUNU-UHFFFAOYSA-N	400.498	3.820	10	20	HHCD	
COc1ccc(CN2CCCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1	773613373	QJDGHNDNEJIJOE-LJQANCHMSA-N	410.562	3.740	10	20	HHCD	
Cc1ccnc2c(S(=O)(=O)NCc3ccc(N4CCSCC4)cc3)cccc12	777893756	GMKBEQVBSACIFF-UHFFFAOYSA-N	413.568	3.575	10	20	HHCD	
COCCC[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	778195030	VPMHYGULUMORSW-OAHLLOKOSA-N	415.486	3.654	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	779344313	WBPGQZWAJPAMON-APWZRJJASA-N	416.566	3.514	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1	779493318	OYOXADPFKILEBO-UXBLZVDNSA-N	408.433	3.874	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c(O)c1O	780918504	JUALHEQOBDTJKO-UHFFFAOYSA-N	413.451	3.854	10	20	HHCD	
COc1ccc2[nH]c3c(c2c1)C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)CC3	782757843	LDFZKTPFUPEJCQ-QGZVFWFLSA-N	409.505	3.799	10	20	HHCD	
COC(=O)c1ccccc1-c1ccccc1C(=O)OCC(=O)c1ccc(O)c(O)c1	785018452	PDRKJQSRSKTJLT-UHFFFAOYSA-N	406.390	3.591	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCCCCc3cccs3)cc2)CC1	786256075	QMQAYMZALKVJLT-UHFFFAOYSA-N	413.587	3.836	10	20	HHCD	
COC(=O)C[C@](C)(NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccncc1	789555928	TZGWJWNJWHUFJP-QFIPXVFZSA-N	412.490	3.548	10	20	HHCD	
O=C(c1c(F)ccc(O)c1O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1	789972872	KYXVHRCAHXDODZ-AWEZNQCLSA-N	404.196	3.897	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1ccccc1F	791251095	ZJFUYWQOQYYBQJ-UHFFFAOYSA-N	402.466	3.593	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	792792949	OIBQGMQXRMJDSR-OAQYLSRUSA-N	424.545	3.601	10	20	HHCD	
Cc1ccccc1-n1nccc1/C=C1\SC(=S)N(CC(C)(C)CN(C)C)C1=O	794862087	NIEAJSAPEKKXPB-PDGQHHTCSA-N	414.600	3.970	10	20	HHCD	
Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	796678951	AYPWSCHKKSANLK-UHFFFAOYSA-N	402.498	3.720	10	20	HHCD	
CCC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	800049009	KEYXNANOTUMZQV-WMZOPIPTSA-N	405.970	3.841	10	20	HHCD	
CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800049156	GMRUWVWXISGWRQ-OXQOHEQNSA-N	405.970	3.984	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@]2(CCOC2)C1	802543477	QZZKJKQNLOSYEB-XMMPIXPASA-N	421.545	3.616	10	20	HHCD	
Cc1nc(Cl)c(Cl)cc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	805719766	KLGFEZPLGGSGJY-UHFFFAOYSA-N	410.301	3.578	10	20	HHCD	
Cc1ccc(C)c([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1	807291886	JLCXEYBCCXIZGZ-QHCPKHFHSA-N	403.526	3.660	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](C)CCOCc3ccccc3)CC2)cc1F	807606282	ANJXSVPOADSVMW-SFHVURJKSA-N	415.509	3.661	10	20	HHCD	
Cc1ncc2n1CC[C@H](C(=O)NCc1ccc(N3CCC[C@H](C)C3)c(Cl)c1)C2	811495868	RXWKKJHSOLKKEP-YJBOKZPZSA-N	400.954	3.960	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)c2cccs2)c(C)n1-c1ccccc1	812861843	IYCHKMHMAXTXDQ-OAHLLOKOSA-N	410.495	3.700	10	20	HHCD	
Cc1cc(C)c([C@@H](C)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c(O)c1	815561985	UUILLXDEYRGGKN-LJQANCHMSA-N	411.546	3.521	10	20	HHCD	
COCc1ncc(CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)c(N)n1	816666772	VPLMUCVJLBFDTM-UHFFFAOYSA-N	407.518	3.666	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)c(C)n1-c1ccc(C(C)C)cc1	816996156	JCCMWWSAMJGCTH-SFHVURJKSA-N	402.560	3.724	10	20	HHCD	
Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C2CCC2)n1	857458353	SXBOJJQKDZWVTE-HNNXBMFYSA-N	404.461	3.688	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCCN(C)C3CCCCC3)CC2)cc1	918006958	PRXLXMAEUGDOCA-UHFFFAOYSA-N	402.583	3.572	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1	918201462	HZMLGIJBVWMLOE-OAQYLSRUSA-N	409.509	3.994	10	20	HHCD	
O=C(NCc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCOCC2)c(F)c1	918202942	QJUPUXAOWYUWPC-UHFFFAOYSA-N	411.399	3.681	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1	918229244	ZNBBXEZRRYUWFC-IBGZPJMESA-N	414.594	3.713	10	20	HHCD	
Cc1ccc(C(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)s1	1318364208	PPNDTDNOHWMMTD-UHFFFAOYSA-N	411.527	3.674	10	20	HHCD	
C[C@H](NC(=O)N1Cc2ccc(O)cc2C2(CC2)C1)c1ccc(N2CCOCC2)cc1	1324049966	VQBBFDVUBMALNX-KRWDZBQOSA-N	407.514	3.547	10	20	HHCD	
C[C@@H](Sc1nnc(C2CC2)[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	11474061	ZPHDYOPFOVHXGU-LLVKDONJSA-N	418.478	3.577	10	20	HHCD	
O=[N+]([O-])c1cc(Br)ccc1NCc1ccc(N2CCOCC2)c(F)c1	97476930	GYCSRKGFEMAHQX-UHFFFAOYSA-N	410.243	3.945	10	20	HHCD	
O=C1N=C(NC2CCCCC2)S/C1=C\c1cnc2ccc(Br)cn12	97591166	LVZYAONIIAGYAH-ZSOIEALJSA-N	405.321	3.989	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)n(C)c2ccccc12	472775000	HTBQNPXTIDHOFD-UHFFFAOYSA-N	402.454	3.760	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(NC(=O)N(C)C)cc3)ccc21	478557805	ISMCMCKUNGUVFG-UHFFFAOYSA-N	422.529	3.928	10	20	HHCD	
C[C@@H](NC(=O)N(C)C[C@@H]1OCCc2ccccc21)c1ccc(N2CCOCC2)cc1	725865781	PCIXFXNYDKVUGE-JPYJTQIMSA-N	409.530	3.540	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC3(N(C)C)CCCCCC3)CC2)cc1	726611630	UHUXWQFAIMUCDO-UHFFFAOYSA-N	402.583	3.618	10	20	HHCD	
Cc1cc(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(C(C)C)cc1	727056776	DWYCZOBYHOTJLL-HXUWFJFHSA-N	402.560	3.519	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CSc1nnc(C)n1Cc1ccccc1	727170493	RAIKVJCEFMKSJO-UHFFFAOYSA-N	410.543	3.871	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c2c(C)n[nH]c2n1	728837698	XDNUXHQXYMCNGL-UHFFFAOYSA-N	405.424	3.845	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C3(c4ccc(Cl)cc4)CC3)cc2F)CC1	730195011	WZRZMRKXESDYPW-UHFFFAOYSA-N	415.940	3.969	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Cc3csc(NC(=O)C(C)C)n3)cc2)CC1	731017303	UTOYGZCNUKJTOS-UHFFFAOYSA-N	414.575	3.833	10	20	HHCD	
CCCN(C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@@H]1CCS(=O)(=O)C1	731182173	JYUVJXIIJNNAMZ-GOSISDBHSA-N	408.951	3.787	10	20	HHCD	
Cc1ncsc1CN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	731219616	ARFHTWNZVGQSON-ZIAGYGMSSA-N	406.527	3.546	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1F	731347230	QZIRKSAECHNFKI-UHFFFAOYSA-N	417.550	3.968	10	20	HHCD	
Cc1cc(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	733275558	LJFPYUVNDNRDJD-AWEZNQCLSA-N	408.951	3.785	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2nccn2CC(F)(F)F)C1	733334335	HDAWULKNHLANRQ-OAHLLOKOSA-N	402.848	3.559	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@H](CC)c3ccc(C)cc3)nc12	738690678	OYBOQOAMYGMTOK-HNNXBMFYSA-N	411.458	3.547	10	20	HHCD	
COCC[C@H](Cc1cccc(Br)c1)C(=O)NCc1cccc(OC)c1O	741283953	YPCRHSYXWOIOHK-OAHLLOKOSA-N	422.319	3.675	10	20	HHCD	
CN(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(N2CCOCC2)cc1	741730014	JDKMOPYIGDHFMY-UHFFFAOYSA-N	407.436	3.613	10	20	HHCD	
Cc1cc(C)c(NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)c(Cl)c1	741737779	XOIULMIHXWYWPT-UHFFFAOYSA-N	401.938	3.864	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3S(C)(=O)=O)c2C)c1	742183288	DFJMHQQNPGEGHF-RTWAWAEBSA-N	402.560	3.830	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cccnc2)NC(=O)OC(C)(C)C)cc1	742752168	ZHVNZIWBEDXRGV-BNCSFYMNSA-N	410.518	3.543	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1	743046956	SNTZFFCLDMKRKS-UHFFFAOYSA-N	422.557	3.667	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)CCO1	743176350	KLIVVDKPZFNXMG-OALUTQOASA-N	424.545	3.631	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1	747209841	DNUHAQWZVRUXDT-NRFANRHFSA-N	412.461	3.714	10	20	HHCD	
CCOC[C@@H]1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1	747930955	UUXROAIFYFATJG-DSQDWWTGSA-N	424.613	3.615	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CCN(C4CCCCC4)C3)cc2F)C[C@@H](C)O1	748845930	MKEKJAAKSGCQKW-NSHGMRRFSA-N	417.569	3.710	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1(CC)CC	749556151	XGZZYHBZAKHPGN-NHCUHLMSSA-N	421.557	3.570	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O	750280263	UAHVGTDAGMDLKZ-FQEVSTJZSA-N	412.921	3.545	10	20	HHCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nc(Cc2ccccc2)no1	753038485	PHECMMIJNMRTSL-HNNXBMFYSA-N	406.486	3.805	10	20	HHCD	
C[C@@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(S(C)(=O)=O)cc1	753254330	YZBARALNGGLWIP-OAHLLOKOSA-N	420.494	3.542	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)c2ccco2)CC1)c1cc(Br)c(F)cc1O	756391976	IYSSUTPEKARURR-LLVKDONJSA-N	411.271	3.842	10	20	HHCD	
C[C@@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)c(Cl)c1O	756527532	ZOZDZJZTXPTPCT-DGIBIBHMSA-N	408.285	3.604	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1	756709942	QTTVRWSESBMVMI-YVEFUNNKSA-N	422.403	3.654	10	20	HHCD	
O=C1/C(=C/c2ccc(C(F)(F)F)s2)SC(=S)N1CCCN1CCOCC1	760990191	YUXSOYDNHYBOLA-BENRWUELSA-N	422.519	3.690	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CCCO[C@@H]1c1ccccc1	761121191	GFUSZEQQBPNZDO-HRAATJIYSA-N	414.889	3.978	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC2(CCCCC2)C1	761186765	VUFSIYTUQHNTQG-UHFFFAOYSA-N	406.529	3.661	10	20	HHCD	
COc1cc(Cl)cc(CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)c1O	761215705	LLZRNGXWOZXECM-INIZCTEOSA-N	414.811	3.746	10	20	HHCD	
O=C(NCCOc1ncc(Cl)cc1Cl)NCc1ccc(N2CC=CC2)cc1	762057741	UFKMGYVTMFDMPE-UHFFFAOYSA-N	407.301	3.643	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1COc2ccc(Cl)cc21)c1ccc(N2CCOCC2)cc1	762276635	WGBZKIVZBBEWHI-KUHUBIRLSA-N	401.894	3.671	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(-c4ccccc4C)nn3C)CC2)cc1	764737322	XUPIJRRBKCZUKQ-UHFFFAOYSA-N	405.502	3.758	10	20	HHCD	
COc1cc2c(=O)ncn(CC(=O)c3cc(C)n(-c4ccccc4)c3C)c2cc1F	764977524	NQBNPVGXUKXWRU-UHFFFAOYSA-N	405.429	3.835	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)NCc2cccc(Br)c2O)no1	765254734	YFNFHNQHLCXTGO-UHFFFAOYSA-N	403.236	3.835	10	20	HHCD	
C[C@H](Cc1cccc(F)c1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765281248	PATBHZCOQZKPIU-GOSISDBHSA-N	423.511	3.802	10	20	HHCD	
COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	766111538	KHTIEAMTVPUQLH-OAQYLSRUSA-N	423.557	3.793	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)cc1	766366710	XPESOTJUFAOCFP-AWEZNQCLSA-N	421.310	3.845	10	20	HHCD	
O=C(c1cc2occc2s1)N1CCN(Cc2cc(Br)ccc2O)CC1	769473408	NNOUPSSGBGKHIW-UHFFFAOYSA-N	421.316	3.920	10	20	HHCD	
COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cccc(Br)c1O	769525400	HOTRSTXOHRWQKN-OAHLLOKOSA-N	418.209	3.918	10	20	HHCD	
CC(C)[C@@H]1CCCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769872824	PMYKMRNQOCZCQN-INIZCTEOSA-N	408.545	3.905	10	20	HHCD	
C[C@@H](NC(=O)N1Cc2ccccc2C(F)(F)C1)c1ccc(N2CCOCC2)cc1	771212877	MGEAJQHFUYCMLF-MRXNPFEDSA-N	401.457	3.901	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ccc(S(=O)(=O)C(F)F)cc2)cc1	771256677	FOECSMVADTZDKQ-IBGZPJMESA-N	424.513	3.935	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/SC(=S)N([C@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)CC1	771513424	KUNQLFFPINFVHF-FHSDDXHGSA-N	413.612	3.828	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773005795	CZAHCYUHDKQNSZ-KRWDZBQOSA-N	417.575	3.583	10	20	HHCD	
Cc1occc1SCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	775216472	SLHPPHCMAZPYQS-UHFFFAOYSA-N	404.513	3.618	10	20	HHCD	
COCC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(C)o1	778757762	KVZFHDNNAKBADE-FQEVSTJZSA-N	401.507	3.642	10	20	HHCD	
COc1ccc(Cn2ccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)n2)cc1	779186527	REWOVGGPEXYJIZ-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	779511204	PBEXPIHLXWCKKY-AGHZKPIHSA-N	409.417	3.706	10	20	HHCD	
Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(O)c1O	780854717	NUBVADSSYHSZOF-UHFFFAOYSA-N	416.783	3.789	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C2CCCC2)nn1C	783316865	QHXZRXZYOOBUTD-UHFFFAOYSA-N	411.550	3.519	10	20	HHCD	
CC(C)(O)CN1CCc2c(cccc2NCc2cc(Br)ccc2O)C1	784635283	YRSWOUCRWDCKLV-UHFFFAOYSA-N	405.336	3.896	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)cc1F	786847912	DQFMCOYLUTVORD-UHFFFAOYSA-N	401.482	3.846	10	20	HHCD	
CSc1nc(=O)n(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)[nH]1	787486030	JGCIICQLBIYMOM-UHFFFAOYSA-N	410.421	3.603	10	20	HHCD	
CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)NCc1ccc(N(CC)CC)cc1	788928331	GOJFTIANKUGWIL-UHFFFAOYSA-N	401.938	3.851	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cc1	788956024	ZNVGZWSUGJZJQG-LJQANCHMSA-N	422.573	3.627	10	20	HHCD	
Cc1ccc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	789860416	LDWKVBKFRKKZQG-QFIPXVFZSA-N	423.582	3.528	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]nc1-c1ccoc1	789961245	IUPIZYUTKIJXJD-CQSZACIVSA-N	402.401	3.670	10	20	HHCD	
C[C@@H](SCC(=O)c1ccc(O)c(O)c1)[C@@H](C)SCC(=O)c1ccc(O)c(O)c1	790282363	KNPJPUZXNVSIHA-VXGBXAGGSA-N	422.524	3.818	10	20	HHCD	
CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc(O)cc3CC)cc2c1C	790416156	UHHXNSLWAUUJIY-UHFFFAOYSA-N	403.456	3.987	10	20	HHCD	
Cc1ccc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c(O)c1O	791038251	KUNGFEIVZQYJEF-UHFFFAOYSA-N	404.507	3.660	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(-c2ccncc2)on1	791251104	ZPFFNAHFERCSKC-UHFFFAOYSA-N	422.485	3.739	10	20	HHCD	
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	797619805	XXEYOGBVVLTKPQ-HNNXBMFYSA-N	411.502	3.831	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cn4cc(Cl)cc(Cl)c4n3)CC2)cc1F	799680646	RFIRTJKYLMERHV-UHFFFAOYSA-N	423.275	3.751	10	20	HHCD	
CC(=O)N1CCC[C@H](CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	799984438	YXCMVYGSTDJMFD-QFBILLFUSA-N	420.985	3.634	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)NC(=O)c3ccoc3)cc2Cl)C1	800345026	ZWTYKVMJJQQEHC-HUUCEWRRSA-N	403.910	3.604	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccncc1C(F)(F)F	800693179	BCHAYHSISRITJQ-CQSZACIVSA-N	413.827	3.854	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@H]1CCN(Cc2ccccc2)CC1(C)C	801583396	VAKSLIHRUZEBPD-DEOSSOPVSA-N	422.617	3.601	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c1	802553458	AZSJXDJXINRGFW-CQSZACIVSA-N	423.444	3.726	10	20	HHCD	
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806684831	LGGGEUYNOJBLGY-OXQOHEQNSA-N	422.520	3.525	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(C(F)(F)F)cc1	807511795	VQJSDEWGSCRSFR-UHFFFAOYSA-N	407.175	3.973	10	20	HHCD	
CC[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)Oc1ccccc1Cl	807675208	VAXDKYJHNXLTJA-MAUKXSAKSA-N	417.937	3.557	10	20	HHCD	
Cc1nn(-c2ccccn2)c(Cl)c1CNCc1cccc(Br)c1O	809654859	RRTCMBHPKUHGEW-UHFFFAOYSA-N	407.699	3.987	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	915891082	FJJSSEDPRIFEDU-UHFFFAOYSA-N	423.435	3.550	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCC(=O)c2cccs2)cc1	916565399	CKBFGKATYJSTPL-IBGZPJMESA-N	400.544	3.985	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1[N+](=O)[O-]	916659101	HDVHVKHUHYCXRY-NVNXTCNLSA-N	416.436	3.707	10	20	HHCD	
CCc1ccccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	917711381	GDVRBBOQVXWFJB-CALCHBBNSA-N	400.494	3.697	10	20	HHCD	
CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1	917846049	KDNHKVUJVOISIR-UHFFFAOYSA-N	423.466	3.591	10	20	HHCD	
COc1cc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc2c1O[C@@H](C)C2	919895202	GAIUZFFEQGHRTC-KRWDZBQOSA-N	421.541	3.803	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)c(C)n1-c1cccc(Cl)c1	919983494	XNBYVUIIYUNUCU-MRXNPFEDSA-N	408.951	3.644	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1	920237984	NWGWJOURMLXJDJ-JOCHJYFZSA-N	424.545	3.602	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c(C)n1-c1cccc(F)c1	921221131	DVRUWXHJHGIRCG-XLIONFOSSA-N	417.477	3.933	10	20	HHCD	
CCn1nc(C(C)C)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	1251150824	RXPXHNOGYRGDDK-HZPDHXFCSA-N	402.514	3.709	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccccc3N3CCCC3)CC2)cc1	1254165500	GBEZSAROMNKYMB-UHFFFAOYSA-N	408.590	3.597	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=S)Nc3cc(C)ccc3C)CC2)cc1	7027538	XNSNANUMAXKLAL-UHFFFAOYSA-N	412.603	3.811	10	20	HHCD	
CCn1ccnc1S[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	54549420	UDNHBUFXZPEYRZ-CYBMUJFWSA-N	405.479	3.798	10	20	HHCD	
CCn1c(CSc2nccs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	64660172	OXUKUWZBKLNPKO-UHFFFAOYSA-N	422.601	3.980	10	20	HHCD	
COc1ccc(N2CCC(Nc3ncc([N+](=O)[O-])cc3Br)CC2)cc1	301555996	SEJRSKLBISNKGL-UHFFFAOYSA-N	407.268	3.842	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)n(C)c2ccccc12	502992196	OZJTWDANILGXDP-PZJWPPBQSA-N	403.526	3.631	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(N3CCCC3)c2)c1	47192356	KBEIXWMNHJLIDL-UHFFFAOYSA-N	415.559	3.878	10	20	HHCD	
CCOc1cccc(CNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1O	236900586	BVXHRVIDGVRADB-LJQANCHMSA-N	424.463	3.973	10	20	HHCD	
COCCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@@H]1CCCSC1	468605607	KUUCAFPWCGWEER-LJQANCHMSA-N	404.576	3.889	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccnc(Oc3ccccc3)c2)n(C)c2ccccc12	472786980	MATAMHJSTNMBNQ-UHFFFAOYSA-N	414.465	3.929	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C)c3c(F)cncc3F)cc2F)C[C@@H](C)O1	804968425	DFMPBROHVKGDNQ-MGPQQGTHSA-N	422.451	3.673	10	20	HHCD	
CC[C@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(Cl)c1O	806138722	AMGZZKOWEFZLFT-AWEZNQCLSA-N	414.877	3.648	10	20	HHCD	
Cc1cnc(-c2cccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)o1	807511737	ULMMTMPXBJVGJY-UHFFFAOYSA-N	420.252	3.917	10	20	HHCD	
C[C@H](NC(=O)[C@H](C)[C@H]1OCCc2sccc21)c1ccc(N2CCOCC2)cc1	814112794	BQFAGZPQTBRVCR-VWKPWSFCSA-N	400.544	3.712	10	20	HHCD	
COCCCN(C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C1CCN(C)CC1	811944952	XNJQKNZWASJKGB-UHFFFAOYSA-N	413.562	3.676	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1OCCc2sccc21	815655453	SIAXJEIOMQYWFI-AOMKIAJQSA-N	414.571	3.523	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@](CO)(Cc2ccccc2)C1	813037518	UZZCXGYUUCOBHX-VWLOTQADSA-N	407.558	3.814	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cc(OC)cc4c3O[C@H](C)C4)SC2=S)cn1	727860987	LYGQISBSUKSIQD-OUZNOSRWSA-N	401.513	3.641	10	20	HHCD	
CCCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1O	727830631	DXILMNUOBQBHPV-HXUWFJFHSA-N	412.530	3.985	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1	728979603	JEXJOFSQYOBJQE-BTDLBPIBSA-N	406.891	3.735	10	20	HHCD	
Cc1cc(C(=O)COC(=O)COC[C@H]2CCCO2)c(C)n1-c1ccc(F)c(Cl)c1	733597701	RHYBXBRCWBJFHL-MRXNPFEDSA-N	423.868	3.808	10	20	HHCD	
C[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1	733138299	FMYGJYRDNZUZLV-KRWDZBQOSA-N	409.530	3.999	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=O)C2=S=C(c3ccc(F)cc3)C(C)=C2)cc1	588087505	HYGYWSIEQHZYLU-UHFFFAOYSA-N	418.515	3.612	10	20	HHCD	
Cc1ncc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1	732732730	JKZUCLYQNIDABI-SNAWJCMRSA-N	411.449	3.637	10	20	HHCD	
COc1ccc(OC)c([C@H](C)NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c1	917073847	DFPDHIMNBBQINM-KRWDZBQOSA-N	411.546	3.612	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	731038544	JZXGSOCCMLWIQA-UHFFFAOYSA-N	403.504	3.618	10	20	HHCD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	732244373	YBSZSTOALSTIFU-UXHICEINSA-N	416.610	3.784	10	20	HHCD	
CC(=O)N[C@@H](C)C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1	912658635	BLFUHIDZFAKETG-LBPRGKRZSA-N	400.479	3.820	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1	915290083	VFLSCCLNCBLNIY-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
CCN(C)c1ccc(CN2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)cc1	741752880	GTKIGAYMKDKYBS-UHFFFAOYSA-N	421.545	3.519	10	20	HHCD	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	742415849	AHFDAYANCAYBFA-OAHLLOKOSA-N	414.579	3.574	10	20	HHCD	
COC(=O)COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	918321162	VWJVTPJRLVDIJS-UHFFFAOYSA-N	422.481	3.740	10	20	HHCD	
CN(C)c1ccc(CNc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)cc1F	746721090	IQQIZZGZEICJLM-UHFFFAOYSA-N	412.856	3.579	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1	747989984	BJWMNPVQLXYVJB-UHFFFAOYSA-N	417.553	3.981	10	20	HHCD	
CC(=O)Nc1ccc(NC(=S)NNc2c(F)cc(F)cc2Br)cc1	741862699	NGCRXLPFIDCOOC-UHFFFAOYSA-N	415.263	3.999	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2n[nH]cc2c1	742798995	FTIKHIPPIUBPLV-OAHLLOKOSA-N	400.429	3.872	10	20	HHCD	
Cc1cc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1	747354690	MJCARFANFQJUOS-UHFFFAOYSA-N	417.918	3.576	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Br	742175202	OXIXHJUMXSZPIW-UHFFFAOYSA-N	406.280	3.830	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cccnc2N2CCOCC2)c1	745427150	DQYKIOYNAHHBEE-UHFFFAOYSA-N	404.514	3.564	10	20	HHCD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)NCc1ccc(N2CCSCC2)cc1	743554635	JPRIXNJRGXLNPD-FQEVSTJZSA-N	413.543	3.571	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H](C)CCCC(C)C)CC2)cc(OC)c1OC	759215450	FABAATHUIJMBLA-QGZVFWFLSA-N	407.555	3.759	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN(C)C2CCN(CCc3ccccn3)CC2)c1O	750044901	CKWXKDJAWVHHQG-UHFFFAOYSA-N	401.938	3.782	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1	920926412	NNMUWCHNLVYVPM-MRXNPFEDSA-N	415.921	3.609	10	20	HHCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1ccccc1NS(=O)(=O)c1cccs1	755304236	CPZMGLXNAODHDR-LLVKDONJSA-N	408.526	3.807	10	20	HHCD	
CC(C)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N1CCSc2ccccc21	759591004	BSSFOOMHYAPNQJ-DJGBTNNQSA-N	413.495	3.818	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)OCc3nn4c(=O)cc(C)nc4s3)c2C)c1	750414635	YRYSYTGVTZZJRK-UHFFFAOYSA-N	422.510	3.841	10	20	HHCD	
Cc1ccccc1C[C@H](C)NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751931859	UKAYNLDAEJXKFI-INIZCTEOSA-N	423.538	3.529	10	20	HHCD	
COc1cc(OC)c2cc(CCCNC(=O)NCc3ccc(N(C)C)cc3C)[nH]c2c1	753924533	IJLGFEFJVLTDRJ-UHFFFAOYSA-N	424.545	3.992	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@@H](C)c3ccccc3C)CC2)cc(OC)c1OC	759239926	RMIQIQNFRXVVGL-GOSISDBHSA-N	412.530	3.863	10	20	HHCD	
CCCN(CC)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	751344771	CMJLWNNQSLTVBL-UHFFFAOYSA-N	413.537	3.824	10	20	HHCD	
CC(C)OCCCC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	751742602	HOBXBUVRIRHMFB-HNNXBMFYSA-N	423.465	3.537	10	20	HHCD	
Cc1nnc2n1C[C@H](C(=O)OCC(=O)Nc1ccc(N=Nc3ccccc3)cc1)CC2	750678707	QIHHYIBUHIOESE-MRXNPFEDSA-N	418.457	3.746	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2csc(NC3CC3)n2)cc1	757766590	BMPPFYFCFBUJJG-SFHVURJKSA-N	400.548	3.605	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C2	754542687	KGUKILQDVHQRKT-HNNXBMFYSA-N	413.429	3.660	10	20	HHCD	
Cc1ccn2ncc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2c1	766840530	JCTLMBRODBUEAV-UHFFFAOYSA-N	400.429	3.643	10	20	HHCD	
COCc1ccc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)o1	764412444	RHXMLEGPKZTNJD-WQRHYEAKSA-N	417.508	3.641	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccccc4)co3)CC2)cc1	767109335	YWBZAUUVDMYDQC-UHFFFAOYSA-N	409.511	3.791	10	20	HHCD	
Cn1ccc(N2CCC[C@H](OC(=O)c3ccccc3N=Nc3ccc(O)cc3)C2=O)n1	764495239	JFDPXPQRAQSQQP-IBGZPJMESA-N	419.441	3.894	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c1	769540106	BZYAOLJCRIMRCD-UHFFFAOYSA-N	412.515	3.513	10	20	HHCD	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1	766743297	HZXLITAEOCUNSL-UHFFFAOYSA-N	408.524	3.917	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC(CCC(N)=O)CC2)cc1)C1CCCCC1	767206077	VVBKRLYVUVRAEL-UHFFFAOYSA-N	400.567	3.643	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(F)cc3C(F)(F)F)c2)CC1	768145591	MVEHRCLMRGJLAU-UHFFFAOYSA-N	409.383	3.799	10	20	HHCD	
CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773848022	RFAOCZFBZNBVEG-CYBMUJFWSA-N	416.909	3.570	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1nc(-c2cccs2)cs1)c1ccc(N(C)C)cc1	773846661	NENGUBPEJXYZKN-GFCCVEGCSA-N	400.529	3.754	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1	779503663	SEPVSMONBYMJOW-YCRREMRBSA-N	415.877	3.531	10	20	HHCD	
O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2cccc(Br)c2O)c1	775151083	FIFYWTQUTHQPSX-UHFFFAOYSA-N	403.179	3.954	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)cc1	776816019	OIEBFWBGWMDGGO-UHFFFAOYSA-N	401.488	3.724	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(Br)cc(OC)c1O)c1cc(C)cc(C)c1	779180807	MRENCCRDJBKHTF-KRWDZBQOSA-N	408.292	3.784	10	20	HHCD	
O=C(CN1CCCCCCC1)Nc1ccc(NCc2cc3c(cc2O)OCO3)cc1	770548534	DOXXMVBFZZSODY-UHFFFAOYSA-N	411.502	3.938	10	20	HHCD	
CC[C@@H](NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1ccccc1O	775498125	XBMFIKACMZRKTH-OAQYLSRUSA-N	402.560	3.896	10	20	HHCD	
CCCCn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C	772059285	WBDHATBIDDLNEE-IYBDPMFKSA-N	402.514	3.674	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCCSc2nccs2)CC1	780537588	GMGPFBQTFYJZHM-CQSZACIVSA-N	414.597	3.714	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12	785295411	UVTYULJJTNAWDG-ZDUSSCGKSA-N	404.422	3.683	10	20	HHCD	
CSCCCCCCNC(=S)NCc1ccc(N2CCC(O)CC2)c(F)c1	782196160	TZEBWEVQIMPNNB-UHFFFAOYSA-N	413.628	3.674	10	20	HHCD	
CCOc1ccc(N2CCN(c3ccc4nnc(-c5ccsc5)n4n3)CC2)cc1	1325786502	SYFZEVNGVMADPQ-UHFFFAOYSA-N	406.515	3.578	10	20	HHCD	
C[C@H](NC(=O)Nc1ccccc1N1CCCC1=O)c1ccc(N2CCOCC2)cc1	65452151	AEHMRZMMXYIESB-KRWDZBQOSA-N	408.502	3.533	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(-n2cccn2)c(F)c1)c1ccc(N2CCOCC2)cc1	142067039	CNRGJKVMQYAUAB-MRXNPFEDSA-N	409.465	3.731	10	20	HHCD	
Cc1cc(=O)n2nc(CN(Cc3ccccc3O)[C@@H](C)c3ccccc3)sc2n1	216486290	OZMMGXHYLLBDDY-INIZCTEOSA-N	406.511	3.928	10	20	HHCD	
C[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCc2ccccc21	726565848	LULHOMOVCVDTNB-INIZCTEOSA-N	415.484	3.824	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1	726698271	LUJIDONGVIQHMA-UHFFFAOYSA-N	422.529	3.722	10	20	HHCD	
CN(CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	726701985	CDRYJYZUVJKDEM-UHFFFAOYSA-N	418.488	3.692	10	20	HHCD	
COCCOc1cccc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)c1	726986925	ZVHCYGORAMALNS-LFIBNONCSA-N	402.497	3.521	10	20	HHCD	
COCCn1c(C)cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1C	727176034	FCSDNKMJPOTZPH-BOPFTXTBSA-N	409.621	3.540	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1	729043281	CKELOKFQNYLDKT-UZLBHIALSA-N	413.518	3.607	10	20	HHCD	
CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)s1	731055600	ZCLWSOMSBBAZHW-UHFFFAOYSA-N	413.571	3.678	10	20	HHCD	
COc1ccccc1[C@H](C)N(C)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	732202564	WXRJZMPYLFENNR-ICSRJNTNSA-N	412.530	3.601	10	20	HHCD	
COc1cc(CNCc2cccc(OC)c2O)c([N+](=O)[O-])cc1OCC(F)(F)F	733900818	KMAPBGFXUCERGM-UHFFFAOYSA-N	416.352	3.549	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCSc1nccs1	733972870	NNNJOUXHKLTHAD-MAUKXSAKSA-N	417.600	3.741	10	20	HHCD	
CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	734688319	LWJPRJJCHDVEOR-HXUWFJFHSA-N	402.583	3.679	10	20	HHCD	
O=C(Cc1csc(-c2ccccn2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735518831	LZOLWOLZGWLEKV-SFHVURJKSA-N	409.511	3.661	10	20	HHCD	
CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1	740819799	DWKQLRWHJWYVRO-UHFFFAOYSA-N	406.935	3.664	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)c1	743412048	CCKGKSIMHBQDNF-GFCCVEGCSA-N	406.276	3.689	10	20	HHCD	
CS[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	743554308	ATTFEVWWRFNUFS-GDBMZVCRSA-N	417.497	3.625	10	20	HHCD	
CCc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)cc1	743564567	NRLQIBKMDXDEQL-FQEVSTJZSA-N	422.573	3.678	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ncoc1-c1ccc2c(c1)OCCO2	743717258	JLVSYRUCOJRRRK-UHFFFAOYSA-N	406.438	3.627	10	20	HHCD	
CCOc1ccc(OC[C@@H](O)CN(CC)Cc2cc(Br)ccc2O)cc1	743870887	FURIEEGLFKWYKM-KRWDZBQOSA-N	424.335	3.815	10	20	HHCD	
C[C@H](Cc1cccc(O)c1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745736967	MEQOVZJXSWSFQU-WBVHZDCISA-N	419.472	3.893	10	20	HHCD	
COc1ccc(O[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	745898766	BDZGDUCLDPAHNF-DYESRHJHSA-N	414.502	3.559	10	20	HHCD	
Cc1noc(C)c1CN(C)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	745983264	KCFHZQHDVLIMJD-AWEZNQCLSA-N	417.465	3.526	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OCC(F)F)cc2)cc1F	748982048	SIJUYRURRUHCHS-UHFFFAOYSA-N	423.435	3.571	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@H](C)c3ccc(Cl)s3)CC2)cc1	749875152	SCWTZWXKQWJKHL-MRXNPFEDSA-N	421.994	3.842	10	20	HHCD	
COc1ccc2c(c1)OC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C2	750874311	ISHJQLVUHNEQRR-NFBKMPQASA-N	424.541	3.520	10	20	HHCD	
O=C(CSc1ccccc1C(=O)N1CCS[C@H]2CCCC[C@H]21)N1CCCC1	752487210	POCZYSSYVUBBLD-MJGOQNOKSA-N	404.601	3.901	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H](c1ccc(C)cc1)n1cncn1	755848696	QUQYIIYFXKCXBV-VXKWHMMOSA-N	406.534	3.520	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1cc(Br)cc(F)c1O	756459030	VYTYHVHUNNWZHA-GFCCVEGCSA-N	416.312	3.559	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	756710044	SZABUQIKDULMDK-MEDUHNTESA-N	409.364	3.775	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccccc1Br)c1cc(F)cc(F)c1O	756761122	RJTJEVCDGUZXOT-CMPLNLGQSA-N	402.235	3.523	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H](C)Cc3ccc(C)cc3)CC2)cc(OC)c1OC	759221252	OJXBZKOPGRHTNE-GOSISDBHSA-N	412.530	3.548	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H](C)Cc3ccc(C)cc3)CC2)cc(OC)c1OC	759221256	OJXBZKOPGRHTNE-SFHVURJKSA-N	412.530	3.548	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1	759683512	NMUXVRWDDWEAMK-QFIPXVFZSA-N	422.573	3.721	10	20	HHCD	
CCS(=O)(=O)CCN(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	760041193	VMXUMBCKXMPLKO-UHFFFAOYSA-N	402.520	3.675	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc([C@H]4CCOC4)c3)cc2F)C[C@@H](C)O1	761358476	HJSKNTCTQPQUOM-FVJLSDCUSA-N	412.505	3.873	10	20	HHCD	
CCN1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3cc(OC)ccc3O)c2C1	761971845	CVSQZXSIMMGULD-HNNXBMFYSA-N	405.498	3.818	10	20	HHCD	
Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)nnn1-c1ccc(F)cc1	765117455	DYNYDQUMVGCDEJ-OAHLLOKOSA-N	413.472	3.541	10	20	HHCD	
CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	765327710	BQJBXEWVNNXNIC-MSOLQXFVSA-N	417.575	3.697	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1	765677773	HVYGHUXEFHIWBZ-IRXDYDNUSA-N	415.509	3.756	10	20	HHCD	
CCc1noc(C)c1[C@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	769876722	URZUNXQZVCAFKZ-INIZCTEOSA-N	424.524	3.652	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(C)(C)N1C(=O)c2ccccc2C1=O	771105773	YFGCCYKDWAKIPT-UHFFFAOYSA-N	419.525	3.710	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3OCC(F)F)CC2)cc1	774078565	RFBVENYLMNFLML-UHFFFAOYSA-N	409.408	3.832	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(C2OCCO2)CC1	774368773	MBOYAUQHFDERQV-UHFFFAOYSA-N	408.458	3.652	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(c2cn[nH]c2)CC1	775439251	MXUIYYOHIIQKAK-QGZVFWFLSA-N	419.476	3.569	10	20	HHCD	
CCO[C@@H]1C[C@H](NCc2cc(Br)cc(OC)c2O)[C@H]1Oc1ccccc1	776008524	TUJDUADOJJEEOW-ILZDJORESA-N	422.319	3.878	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c(C)[nH]c2ccccc12	777827571	COTDQZAHJVIHNY-UHFFFAOYSA-N	400.862	3.580	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1	778634058	GEJKUHCXIDZFJG-UHFFFAOYSA-N	421.400	3.557	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cnn(Cc4ccc(F)cc4)c3)SC2=S)cn1	780142562	GSMUTJLGFHHUSP-IDUWFGFVSA-N	413.503	3.693	10	20	HHCD	
COC(=O)c1occc1CN(C(=O)c1ccc(C)c(O)c1O)[C@H](C)c1ccccn1	780921953	OJLMVUDATHYQAH-CQSZACIVSA-N	410.426	3.584	10	20	HHCD	
COCCO[C@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)C1	781962207	MUGBJLWRQXCADM-IBGZPJMESA-N	402.560	3.736	10	20	HHCD	
CCOc1cccc2[nH]cc(CC(=O)NCc3ccc(N4CCSCC4)cc3)c12	782665621	YHAHMXKEVKJMPB-UHFFFAOYSA-N	409.555	3.979	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1C	782897625	ZGUGLKQTOJRSGV-UHFFFAOYSA-N	423.513	3.959	10	20	HHCD	
CCS(=O)(=O)c1ccccc1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	786052936	NYRGDXITBFZKFE-HOTGVXAUSA-N	406.523	3.845	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(O[C@@H]4CCOC4)cc3)c2)CC1	788762984	WNGXKLCDCLLILG-HSZRJFAPSA-N	409.530	3.637	10	20	HHCD	
Cc1ccc([C@H]2CSCCN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788937007	MHFNXIAOOONWHJ-JOCHJYFZSA-N	423.582	3.528	10	20	HHCD	
CCC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)sc2C1	789504384	BNMMWCMGLCOIAY-OAHLLOKOSA-N	414.575	3.677	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCC3(c4ccc(F)cc4)CC3)cc2)CC1	789759237	RWHLZRHTIUOKTF-UHFFFAOYSA-N	423.532	3.526	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)OCC(F)(F)F)NC(=O)OC(C)(C)C)cc1	790332815	AEVMXOQMIAMLEM-CQSZACIVSA-N	405.417	3.607	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@H](CO)c3ccccc3OC(F)(F)F)ccc21	792951088	CKYMZQHTBSDQML-QGZVFWFLSA-N	423.435	3.500	10	20	HHCD	
CC[C@H](NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1ccc(F)cc1O	796817578	MUTBBMINLWYJNA-IBGZPJMESA-N	416.493	3.894	10	20	HHCD	
Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OCC1CCOCC1	797629491	HHOIZQIVPBSJBV-MRXNPFEDSA-N	414.502	3.964	10	20	HHCD	
CC(=O)NCC1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	799992875	QTTXBAIAASCKHC-INIZCTEOSA-N	420.985	3.634	10	20	HHCD	
COCCCOCCN(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800720355	SAOCKOBAHNLQIK-KRWDZBQOSA-N	411.974	3.771	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@]2(CCOC2)C1	802543473	QZZKJKQNLOSYEB-DEOSSOPVSA-N	421.545	3.616	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(C[S@](C)=O)cc2)cc1F	805094802	QMXWIYDECYPPOW-NDEPHWFRSA-N	405.539	3.550	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1nncn1C	805450157	DGYXWLLZFCSQHP-KXBFYZLASA-N	418.973	3.901	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCc2c[nH]c3c(C)cccc23)cc1	805661671	AQRHIAWTEREIDQ-UHFFFAOYSA-N	420.557	3.640	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1csc(-c2ccccc2)n1	806846201	GICLQDOFVZXMGC-UHFFFAOYSA-N	408.527	3.863	10	20	HHCD	
CCN(C)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1	808295835	HAKQQBFIUDNIQP-UHFFFAOYSA-N	416.543	3.618	10	20	HHCD	
CC[C@@H]1[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CCN1C(=O)OC(C)(C)C	813032908	WZWIYRBSVQZBCZ-DLBZAZTESA-N	403.523	3.514	10	20	HHCD	
CN(C)C(=O)[C@H]1CCCN1CCCN[C@@H](CCc1ccccc1)c1ccccc1O	815573667	PWQHHZXKMKCBOV-XZOQPEGZSA-N	409.574	3.598	10	20	HHCD	
CCCCCc1nnc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1	915314240	YVIGNGCZZHHQRD-UHFFFAOYSA-N	403.552	3.771	10	20	HHCD	
CC(C)Cc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc1	917912933	ZVZOHEWFUCOXOK-UHFFFAOYSA-N	404.601	3.917	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)C3CCCC3)c2C)c1	919359021	UGMJRWFQXWQWBI-QGZVFWFLSA-N	410.514	3.823	10	20	HHCD	
O=C(NCCNCc1cccc(Br)c1O)c1ccccc1C(F)(F)F	1254176735	AJTCNFFGEHCZNN-UHFFFAOYSA-N	417.225	3.693	10	20	HHCD	
Cc1cc(C)n2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2n1	1317793707	JJASLPUFOVJIHE-UHFFFAOYSA-N	403.486	3.848	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(-n4ccnc4S)cc3)CC2)cc1	1323191739	CTHSATFUYRJTRI-UHFFFAOYSA-N	408.527	3.522	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c(=S)n1-c1ccccc1	10907677	YOLMEYOHHLFEFC-UHFFFAOYSA-N	408.527	3.644	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1	55356728	DXBIGRWYQOWGGZ-UHFFFAOYSA-N	415.559	3.958	10	20	HHCD	
O=C(COc1ccc(Br)cc1)NCc1ccc(N2CCSCC2)cc1	108195842	WHSAQBOGVCEJGG-UHFFFAOYSA-N	421.360	3.698	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	145604605	LHYVPJCOMXGOCE-KOSHJBKYSA-N	419.525	3.665	10	20	HHCD	
C[C@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc(N2CCOCC2)cc1	145724038	DEAXDZZPHWLNNQ-KRWDZBQOSA-N	419.481	3.860	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cnc(-c4ccco4)s3)cc2F)CC1	216968116	SACOEPSYCGGSOO-UHFFFAOYSA-N	414.506	3.614	10	20	HHCD	
Oc1cc2c(cc1CNCC1(c3cccc(C(F)(F)F)c3)CCOCC1)OCO2	238124705	SQZXWZMWWQYDDH-UHFFFAOYSA-N	409.404	3.978	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	248015062	CSNFVYYYSBQHJN-UHFFFAOYSA-N	418.541	3.527	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCCCCC1	302106205	BGNQKOJUGDFBAG-UHFFFAOYSA-N	401.532	3.836	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2COc3ccc(F)cc32)C1	436003834	IPQUWVVQHWNRJZ-FQEVSTJZSA-N	407.489	3.797	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c1O	729557026	CSNKORSHROIZQR-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
COc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731105658	NKYYCEVNOCETSE-UHFFFAOYSA-N	424.545	3.955	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1	731283664	NTXSHUWZCQFAER-UHFFFAOYSA-N	403.567	3.737	10	20	HHCD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c12	731855816	BSDMJOMKEZFXTP-SFHVURJKSA-N	420.513	3.681	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2cccc3c2OCCCO3)C1	733335001	XTGBFNDBVSBAEB-IBGZPJMESA-N	402.922	3.961	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cnc1Cl	735409225	ZPTOEEOCYCTZPP-UHFFFAOYSA-N	423.903	3.739	10	20	HHCD	
Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3c(O)ccc4ccncc34)CC2)c(C)c1	738271973	HCPLSSXESVUVTD-LJQANCHMSA-N	419.525	3.669	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)ccc21	740070593	PVCINWXEEJHNAC-UHFFFAOYSA-N	416.566	3.704	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1	740901058	MFBLTPHLNGDWNF-UHFFFAOYSA-N	404.536	3.616	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1[N+](=O)[O-]	741136359	TYAABGCJSIDGGE-UHFFFAOYSA-N	405.476	3.785	10	20	HHCD	
COc1cc(CN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)c(SC)cc1OC	741403999	BGGBRHWYUPNQQK-UHFFFAOYSA-N	421.538	3.972	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1	743186651	UGFZQMTZNVHOBQ-UHFFFAOYSA-N	417.531	3.685	10	20	HHCD	
CCS[C@H]1CC[C@@H](N(C)Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)C1	743398288	GIFWOGZOWPPDMM-RTWAWAEBSA-N	406.592	3.533	10	20	HHCD	
C[C@@H]1CCCCN1CCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745334694	XULFVSLWPQBZOX-QZTJIDSGSA-N	424.536	3.821	10	20	HHCD	
Cc1cnc([C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	750275920	HGAPGGGLVOWYKA-YDHLFZDLSA-N	406.527	3.765	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C	751937780	WKCBOWUACCGLJV-LDDOYCOJSA-N	415.559	3.802	10	20	HHCD	
CC(C)CN(CC(C)C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751938364	ZAQOHSCPZHFGCE-UHFFFAOYSA-N	403.548	3.614	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1	752758279	BZQFBRSZCYLGBY-UHFFFAOYSA-N	410.514	3.926	10	20	HHCD	
CC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1	754492341	RLAQFROYABYZNX-HNNXBMFYSA-N	414.497	3.927	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(Br)cc(F)c1O	756449460	MLRJDWPMZVAVOV-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
C[C@H]1C[C@H](NCCNC(=O)c2ccc(Br)cc2)c2c(O)ccc(F)c21	756459327	MOPBVNUZIWPVAT-NHYWBVRUSA-N	407.283	3.862	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3cc4c(cc3O)CCCC4)C2=O)c1	756736044	KXKWLAAGYVUDNW-OYHNWAKOSA-N	410.514	3.744	10	20	HHCD	
Cc1cc(C(=O)NCCCO[C@@H]2CCOC2)c(C)n1-c1cccc(Br)c1	756990161	PAYGYJLLLOXHGD-GOSISDBHSA-N	421.335	3.782	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccn(-c4ccc(Cl)cc4)n3)CC2)cc1F	757054130	UNLKQLNLTKLZHC-UHFFFAOYSA-N	414.868	3.636	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(N(C)C)cc1	758055965	KINQOERYNAZTQH-YOEHRIQHSA-N	411.493	3.822	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3Br)CC2)cc1	758273383	ZTNNGFVYQMUMLX-UHFFFAOYSA-N	408.271	3.951	10	20	HHCD	
CS(=O)(=O)c1ccc(CNCc2cc(Br)ccc2O)cc1Cl	758516535	VBWUTFLJXIAWAE-UHFFFAOYSA-N	404.713	3.501	10	20	HHCD	
C[C@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1	760661024	APVFLIMLTRYZLL-SFHVURJKSA-N	403.567	3.821	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	764144685	ZBFNNKWNTYRHJY-OAQYLSRUSA-N	417.912	3.553	10	20	HHCD	
CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C12CCC2	764357356	UDRVRXCTSWQIIM-DZFGPLHGSA-N	401.551	3.573	10	20	HHCD	
O=C1/C(=C\c2cnn(-c3ccc(Cl)cc3)c2)SC(=S)N1Cc1ccon1	764418626	VEKUJFICIBJTAI-VIZOYTHASA-N	402.888	3.915	10	20	HHCD	
COc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cn1cccn1	765119329	UTUJISPJUMXFGW-GOSISDBHSA-N	424.520	3.767	10	20	HHCD	
C[C@@H](NC[C@H](CO)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl	765287459	IEDORENILSSVNZ-SJLPKXTDSA-N	406.929	3.818	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccn(-c2ccc(Cl)cc2)n1	765727568	CUKQQMXGNMSVNZ-UHFFFAOYSA-N	406.667	3.924	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	765763602	FFNIYXBNKLDSGC-MNOVXSKESA-N	400.194	3.992	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1C(F)(F)F	765980436	ZYZFEZCSSTVVDC-OAHLLOKOSA-N	412.477	3.791	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCc2cccnc21	766760413	BJNFZTXBIONMJE-VQIMIIECSA-N	401.457	3.888	10	20	HHCD	
CCN(CC)c1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1F	768876801	IQUFHDFLGSIPSM-UHFFFAOYSA-N	420.510	3.600	10	20	HHCD	
Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	769899196	HHGBLIPPDKESEP-MGPUTAFESA-N	402.516	3.686	10	20	HHCD	
O=S(=O)(Cc1cccc(NCc2cc3c(cc2O)OCO3)c1)C1CCCCC1	770576890	OGKXYLAHXHTNHK-UHFFFAOYSA-N	403.500	3.981	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccccc1I	771267635	LXSQMZPAKBHEEY-UHFFFAOYSA-N	408.283	3.525	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C(=O)OC(C)(C)C	772489818	NIAUARJYLPOXSN-QFBILLFUSA-N	416.566	3.656	10	20	HHCD	
C[C@H](NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1	772777849	YFUUAXSTWQMCIY-UFVHFEBBSA-N	410.253	3.838	10	20	HHCD	
CCc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1	773612187	KWAXVJBMTRPENH-SFHVURJKSA-N	408.546	3.544	10	20	HHCD	
Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc12	773763314	SPIMVWBFDLVLFA-AWEZNQCLSA-N	402.454	3.501	10	20	HHCD	
COCC1(C)CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	774191955	IGPBBRWFNISMCP-UHFFFAOYSA-N	411.493	3.715	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3ccccc3F)cc2Cl)C1	774800507	QICPGVNHOHBOJW-HNNXBMFYSA-N	417.912	3.648	10	20	HHCD	
CS(=O)(=O)c1cccc(NNC(=S)Nc2ccc(SC(F)F)cc2)c1	776266147	DSUWTZHUGCYMRY-UHFFFAOYSA-N	403.501	3.718	10	20	HHCD	
Cc1cc(Br)ccc1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	778558165	VTAZEJZTAHACHF-UHFFFAOYSA-N	417.347	3.795	10	20	HHCD	
CC(C)[C@@H](COCc1ccccc1)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	783223464	PEQSAUSLRLFDEZ-LADGPHEKSA-N	409.574	3.719	10	20	HHCD	
CC[C@H](CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccc(OC)cc1	786257129	NCCVZSNLZNSSDL-OAQYLSRUSA-N	423.557	3.564	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3cccc(C(F)(F)F)c3O)C2=O)c1	788668081	WXEHAIPORCYFBJ-SGTLLEGYSA-N	424.419	3.884	10	20	HHCD	
Cc1ccc(-n2ncc(NC(=O)C(=O)N(C)Cc3ccccc3O)c2C(C)C)cc1	792210968	YXEBLQKQSVYGED-UHFFFAOYSA-N	406.486	3.607	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccc21	792973109	HENRZSGNOTWQAL-UHFFFAOYSA-N	424.501	3.530	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c(O)c1	794390154	YZFXGGXWLMSOKQ-SNVBAGLBSA-N	414.683	3.900	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(CC1CCC1)CC1CC1	794393878	PTQHRQSJSRJXHE-UHFFFAOYSA-N	420.556	3.907	10	20	HHCD	
COc1cc(N2CCOc3c(Br)cccc3C2)c([N+](=O)[O-])cc1OC	795192500	KSFMGNSMOXXRTJ-UHFFFAOYSA-N	409.236	3.774	10	20	HHCD	
COc1ccc(C[C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1OC	796701261	HQAUIYFJTIKTHB-SFHVURJKSA-N	412.574	3.942	10	20	HHCD	
Cc1ccc(F)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1Br	797020748	MQWLCUZXOJTRRB-GFCCVEGCSA-N	422.298	3.779	10	20	HHCD	
CC[C@@](O)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1	800431184	XYYUESAHXXRWPR-NRFANRHFSA-N	404.963	3.807	10	20	HHCD	
COCCOc1cncc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1	801476069	OGKWJPDGBKSFMF-UHFFFAOYSA-N	408.454	3.554	10	20	HHCD	
Cc1ccccc1C(C)(C)CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	803695045	JDIGLCNOYDUHPN-UHFFFAOYSA-N	407.558	3.646	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CN3C(=O)N[C@@H](Cc4ccncc4)C3=O)cc2Cl)C1	804189324	YTHRMCKXMZNEGL-KXBFYZLASA-N	412.921	3.634	10	20	HHCD	
Cc1ccc(-n2nc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cc2C)cc1	804255109	ZMRHTIREJUOVRU-UHFFFAOYSA-N	410.861	3.817	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N(C)[C@@H](c3ccccc3)C(C)C)CC2)cc1	804317185	VPEIPVOVWCLBEZ-HSZRJFAPSA-N	423.557	3.636	10	20	HHCD	
Cc1cc(N2CCC(NC(=O)NCc3cc(Cl)cc(Cl)c3O)CC2)nc(C)n1	806918524	BNQODDHPBDMEDF-UHFFFAOYSA-N	424.332	3.574	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1F	808921214	XMTBJZRNNKSGBN-HXUWFJFHSA-N	403.473	3.647	10	20	HHCD	
CCc1nnc(CNCc2cc(Br)cc(Br)c2O)s1	811517897	CSCQABVECYARAA-UHFFFAOYSA-N	407.131	3.621	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=N)N[C@H]3CCOc4ccccc43)cc2F)C[C@@H](C)O1	849091180	XQAPYCCEXRIAAA-YRNRMSPPSA-N	412.509	3.577	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(CC)C2)sc(C)c1-c1ccc(F)cc1	914720442	CHNOOSVBDXQURI-CQSZACIVSA-N	418.490	3.846	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H]3c3ccccc3)CC2)cc1	916196718	GAWQLABIYGTNDZ-XMMPIXPASA-N	422.573	3.754	10	20	HHCD	
CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	917917900	JPYFPIZRMWLNEF-INIZCTEOSA-N	406.523	3.654	10	20	HHCD	
CC(=O)Nc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1C	918309888	JYXXOXCDBZZCOG-UHFFFAOYSA-N	422.529	3.541	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c1	919819291	LGIVSGPKTBBSQF-UHFFFAOYSA-N	416.430	3.947	10	20	HHCD	
COc1ccccc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	921264066	KUHRXISBGYJWKB-IYBDPMFKSA-N	418.534	3.856	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3Cc3cccnc3)cc2)CC1	1321732936	JPGYPHTURWTKGN-DEOSSOPVSA-N	406.574	3.989	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCCN2CCC[C@H]2CO)c1	1341391671	VUNPIWINBSWKSR-IBGZPJMESA-N	403.954	3.714	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccccc2)c(C)n1-c1ccccc1	11495113	KZFDPSVBXVJIDQ-OAQYLSRUSA-N	419.481	3.620	10	20	HHCD	
CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(C)n(-c2ccccn2)c1C	106070454	CGOJEURNBAUTAE-UHFFFAOYSA-N	406.486	3.599	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(N4CCCCC4)nc3)CC2)cc1	110462267	MQFFDODHLPIVCF-UHFFFAOYSA-N	423.561	3.549	10	20	HHCD	
CCCCN1C(=O)c2ccc(C(=O)N(CC)Cc3ccc(N(C)C)cc3)cc2C1=O	302804909	AFROUAYKUBPDCJ-UHFFFAOYSA-N	407.514	3.811	10	20	HHCD	
Cc1c(CNC(=O)c2nnn(CCOc3ccc(F)cc3)c2C)n(C)c2ccccc12	409972528	WUKOKGBVMYVIBK-UHFFFAOYSA-N	421.476	3.535	10	20	HHCD	
Cc1cc(-c2nc([C@@H]3OCCc4ccccc43)no2)ccc1NC(=O)C1=S=CC=C1	546428931	FMTGFHXWXXWUDA-HXUWFJFHSA-N	417.490	3.923	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccccc2)CC2CCC2)n(C)c2ccccc12	578929701	HUJZHOMGOSBYMO-UHFFFAOYSA-N	403.526	3.932	10	20	HHCD	
COc1ccc(OC)c(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	726239458	JELNZMWSTVKEBJ-UHFFFAOYSA-N	410.470	3.957	10	20	HHCD	
COc1ccc(OC)c(NC(=S)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	726437193	AXKVXTBAEZCNLS-UHFFFAOYSA-N	416.381	3.944	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1C	726471516	OTMIMSUHDISKHD-UHFFFAOYSA-N	420.604	3.570	10	20	HHCD	
O=C(NC1CC1)[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	726604657	ZSWBMGORYYUJAH-OAQYLSRUSA-N	415.484	3.866	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1	728835571	FWAYBDKBDFOJMT-UHFFFAOYSA-N	418.453	3.647	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(I)cc2C)c1O	729546050	GVTPPMUFEKHDGC-UHFFFAOYSA-N	412.227	3.636	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)c(C)c1	731408842	XQHHHXQUMKITOC-UHFFFAOYSA-N	401.482	3.634	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCOc2cccc(C=O)c2)cc1	731622014	PPVZVYOCXVPAHT-QHCPKHFHSA-N	410.514	3.542	10	20	HHCD	
COC(=O)CN(CC(=O)Nc1ccc(Cl)cc1C)Cc1cc(Cl)ccc1O	731845332	VTASGZTZOZFDBI-UHFFFAOYSA-N	411.285	3.621	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	732233469	TVAHCFFWYDQTQI-QGZVFWFLSA-N	417.893	3.603	10	20	HHCD	
COCCN(C(C)=O)c1nc(CN(Cc2ccco2)Cc2ccccc2O)cs1	733794658	FGNJRYMPFGLSIO-UHFFFAOYSA-N	415.515	3.643	10	20	HHCD	
O=C(NCCCSc1nccs1)c1csc(-c2ccc3c(c2)OCO3)n1	733974037	DOEBTQBFSYSQDU-UHFFFAOYSA-N	405.526	3.908	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)c1	734065023	RSJAZCFQHWVAMN-QZTJIDSGSA-N	411.546	3.878	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C[S@@](C)=O)c3ccccc3)c2C)cc1	742197989	CFZGLGJWBZGLIB-PZGXJGMVSA-N	410.539	3.952	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N(C)[C@H](C)c3ccc(C)cc3)CC2)cc1	742948583	ZPHWFMUNEDNEIM-HXUWFJFHSA-N	410.562	3.528	10	20	HHCD	
O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743537651	MJXCOLZAIHDTKZ-HNNXBMFYSA-N	420.416	3.664	10	20	HHCD	
COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	743564898	QRHOZVYDQQIFRG-MOPGFXCFSA-N	411.546	3.865	10	20	HHCD	
COc1ccc([C@@H](C)CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	743636255	FCTMHMFZJAJFPD-IBGZPJMESA-N	411.546	3.867	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	743808438	XMJACPJWWWTBBT-UHFFFAOYSA-N	424.207	3.633	10	20	HHCD	
Cc1cc(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C)n1-c1ccccc1	745844044	UNQOBSCQZVNLNQ-UHFFFAOYSA-N	411.433	3.879	10	20	HHCD	
C[C@H]1CN(c2ccccc2NC(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H](C)O1	746764354	WFUFUSAASXHBOE-HOTGVXAUSA-N	400.498	3.827	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)cc1	747373392	MCPLQFAWXVHDKM-UHFFFAOYSA-N	417.575	3.784	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1	747457536	WNXSQPWVSZWQAR-UHFFFAOYSA-N	402.438	3.514	10	20	HHCD	
CCOC(=O)N1CCCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	748293929	FHZPEOMXFLYEFS-UHFFFAOYSA-N	407.308	3.972	10	20	HHCD	
C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N(Cc1ccco1)Cc1ccccc1O	750444560	MHYZNNIAHKKMEC-INIZCTEOSA-N	417.506	3.858	10	20	HHCD	
C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nccs1	754307925	LJGYDRPFWYNYKN-CYBMUJFWSA-N	410.490	3.816	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1	754936029	BPSCLTPPKOHYIV-UHFFFAOYSA-N	404.470	3.503	10	20	HHCD	
CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)[C@H]1CN(Cc2ccccc2)CCO1	756653356	DODKVUVDDQQWOU-FRGLQRNOSA-N	412.530	3.509	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)CC)cc2)cc1	756888959	GIOMAJQIGOIZFS-UHFFFAOYSA-N	416.587	3.918	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4c(F)cccc4C3)cc2F)C[C@@H](C)O1	757009400	CITCJZSDOACOIL-IYBDPMFKSA-N	415.484	3.846	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)c1ccccc1	759588891	PCXOKCDIADNPKN-OSJHKOOESA-N	417.461	3.754	10	20	HHCD	
COc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cc1Cn1cccn1	765282300	LYAVYLQTSWDCJP-IBGZPJMESA-N	406.530	3.627	10	20	HHCD	
CC(=O)OCCCc1cccc(NC(=O)NCc2cccc(Br)c2O)c1	765389826	LOGNWGMARGGCIK-UHFFFAOYSA-N	421.291	3.972	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1cccc(Br)c1O)c1nc(C2CC2)no1	765481220	NNDYMHYFKWCDKR-CYBMUJFWSA-N	409.284	3.612	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@H](c3nnc4ccccn34)C2)c1O	768219349	XACNGYDMPNAUML-ZDUSSCGKSA-N	417.307	3.586	10	20	HHCD	
C[C@H](Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1[N+](=O)[O-])c1ccccn1	768900977	RKMCYFIWQQVSPS-AWEZNQCLSA-N	422.441	3.547	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1C(C)(C)C	771063081	DNBOZBDKVATXFY-KRWDZBQOSA-N	404.942	3.700	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(I)c(F)cc2F)cc1	772038297	YARHJHOXBGFDOT-UHFFFAOYSA-N	416.209	3.565	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccc(N(C)C)cc1	773626425	UBNIYEBHUZCPRX-CQSZACIVSA-N	420.355	3.819	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	773752328	ZGZYWAGGKSQDBO-GFCCVEGCSA-N	404.438	3.945	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F	774915779	FABKMHQBGUIEMS-MRXNPFEDSA-N	415.484	3.791	10	20	HHCD	
C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(N2CCOCC2)cc1	775259306	RVKNQCRCDNJGQL-MRXNPFEDSA-N	408.458	3.937	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	782790718	UIKQITMRSJOTCY-UHFFFAOYSA-N	421.538	3.879	10	20	HHCD	
Cc1cccc(C(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c2cccc(C)c2)c1	785434333	SMCHFAVCONZVTC-UHFFFAOYSA-N	415.537	3.891	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](CC(C)C)c3ccccc3)cc2)CC1	786660346	DLSPQXRHYWQQRU-DEOSSOPVSA-N	407.558	3.801	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)cs1	787036637	CONFRVVNLORIRW-GFCCVEGCSA-N	414.453	3.559	10	20	HHCD	
CCCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)C(=O)Nc1ccccc1C	787335811	VKAKRCGHYDHWPZ-NRFANRHFSA-N	408.590	3.986	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@H]1CCSC1	791111181	DWTUYDWELHRLFA-OJLMPMFISA-N	412.627	3.599	10	20	HHCD	
CCC(CC)(CNC(=O)NCc1ccc(OC)cc1O)c1ccc(OC)c(OC)c1	793050077	DCELFIZGRBPIRK-UHFFFAOYSA-N	416.518	3.975	10	20	HHCD	
Cc1nccnc1N1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	799366407	IDOHXOQMEXENCF-UHFFFAOYSA-N	422.577	3.586	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1	801634769	UOQJQXYXNHSPGC-UHFFFAOYSA-N	417.531	3.667	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)cc1F	803665104	WSRYKLHNGVVKGJ-FQEVSTJZSA-N	417.912	3.819	10	20	HHCD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)NCc1cc(Cl)cc(Cl)c1O	807835777	KLMUIKVYUSGXPN-UHFFFAOYSA-N	400.212	3.952	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C)cc1O[C@H](C)CC	807862409	PISOZLBQEIODKR-GOSISDBHSA-N	412.530	3.933	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)C[C@@H]3CCCC(=O)N3)c2C)c1	808691063	PZHRXTRRKNXBBZ-INIZCTEOSA-N	414.527	3.601	10	20	HHCD	
CC[C@@H]1CCCC[C@H]1c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	809464803	LSOGDPSYSTXFLN-YLJYHZDGSA-N	412.534	3.653	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)N(CC)Cc2cc(Br)ccc2O)cc1	810456712	UVKDBJUQHIGTSH-UHFFFAOYSA-N	406.276	3.994	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)c(C)n1-c1ccccn1	812717150	XEKGQJNXUFLPBP-RUZDIDTESA-N	403.526	3.947	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c1O	815166600	PKOUDFLJPIOZCW-UHFFFAOYSA-N	419.286	3.561	10	20	HHCD	
O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1	816665726	SELBJYKLQWQKRY-UHFFFAOYSA-N	417.465	3.925	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1	914455816	AWHAYHKKWNPJPU-JOCHJYFZSA-N	404.466	3.656	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NCCc2ccc(F)cc2)c(C)n1-c1ccccn1	914903523	MZPGAGOBTRTZBI-QGZVFWFLSA-N	409.461	3.532	10	20	HHCD	
CCc1nc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)sc1C	916081249	RSVLAKDGZZJQEG-UHFFFAOYSA-N	421.434	3.950	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(-n4nc(C)cc4C)c3)CC2)cc1	916685037	YKABATCKJNVFPP-UHFFFAOYSA-N	405.502	3.852	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1C(=O)CN(/C=C\c2ccccc2)C1=O	917487321	XQVSRSYSABFODO-PFONDFGASA-N	406.530	3.856	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)cn3)cc2F)C[C@@H](C)O1	917709437	IPPKWHWPUIIRFJ-CHWSQXEVSA-N	411.399	3.783	10	20	HHCD	
CN(C)c1ccc(CN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C2CC2)cc1	917972565	FZDZIQGQRQSYNP-UHFFFAOYSA-N	416.451	3.912	10	20	HHCD	
Cc1nc(-c2cccnc2)nc(O)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	918657761	HLURAVFFMUZEPR-UHFFFAOYSA-N	419.529	3.598	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C2(O)CCCC2)c(C)n1-c1ccc(OC(F)F)cc1	919133981	WQAGQHZQVWEROB-UHFFFAOYSA-N	407.413	3.727	10	20	HHCD	
CC[C@@H](C)Oc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	919910157	CJJKWNIXOFZMIF-MJGOQNOKSA-N	424.545	3.887	10	20	HHCD	
COc1cc(OCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)ccc1[N+](=O)[O-]	921023435	AHEIRQIUAAGNOU-UHFFFAOYSA-N	423.469	3.749	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(F)cc(F)c3)n2)cc1	1325858835	CVGDNLTXFYNVKX-UHFFFAOYSA-N	423.466	3.525	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1	51785680	SDDFNYIATGGXNL-UHFFFAOYSA-N	418.497	3.975	10	20	HHCD	
COc1cc(C(C)=O)ccc1OCCCC(=O)NCc1ccc(N2CCCC2)cc1	52807198	WHMFOMXEOKLCHQ-UHFFFAOYSA-N	410.514	3.973	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl	302833708	PTRPSFORYCQELY-MRXNPFEDSA-N	419.865	3.574	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)n(C)c2ccccc12	552164725	KDWAOLNKKTTXNO-LEWJYISDSA-N	403.526	3.946	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](O)c3cccnc3)c2C)c1	803958591	ZNMWKZUCHDPVPV-NRFANRHFSA-N	410.495	3.671	10	20	HHCD	
COCCO[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1	802651874	FSGWHBCMFOSDEX-CYBMUJFWSA-N	423.145	3.545	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1	812154937	WYBWKRUUYBHRET-ZIAGYGMSSA-N	423.564	3.797	10	20	HHCD	
Cc1cc(C(=O)N2CCC3(CN(C)C3)C2)c(C)n1-c1ccccc1Br	819525726	OXVOCFHLZKZSFF-UHFFFAOYSA-N	402.336	3.634	10	20	HHCD	
CCOCc1cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)ccc1OC	813792268	MNHGNDRHNJNRRO-SFHVURJKSA-N	412.299	3.957	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@@](C)(O)c1ccccc1	819525770	QNXMIABTAZXYJS-XMMPIXPASA-N	412.530	3.673	10	20	HHCD	
O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2	814289351	NDSUIHNCGHOZPO-PVRQFMFMSA-N	400.569	3.913	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1-c1ccncc1	815445865	JUSCOTJNIFZQDX-UHFFFAOYSA-N	406.461	3.517	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1ccc(F)cc1F	819525511	HXMGVSSNJTWCOK-UHFFFAOYSA-N	420.456	3.732	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)cc1	727306390	OBQKZILPTCIANO-HXUWFJFHSA-N	403.473	3.695	10	20	HHCD	
O=C(c1cccc(CNCc2cc(-c3ccccc3)ccc2O)c1)N1CCOCC1	725848420	STCIQDKUSUZYIY-UHFFFAOYSA-N	402.494	3.821	10	20	HHCD	
CCCCc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726725409	CFIJYGZMMZRQLY-UHFFFAOYSA-N	409.530	3.762	10	20	HHCD	
CC(C)COc1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)cc1	730291019	SJSSLRBNNREAMY-RGEXLXHISA-N	420.600	3.645	10	20	HHCD	
O=C(c1cccc(OC[C@@H]2CCCO2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	735517081	HEGAADXQTKJJKB-YADHBBJMSA-N	411.498	3.771	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1OC(F)F	919790800	QNTYTQYEONJPOQ-OAHLLOKOSA-N	405.445	3.685	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccccc3CN3CCOCC3)cc2)CC1	746236771	AMXRYLHAZYDRSX-UHFFFAOYSA-N	407.558	3.685	10	20	HHCD	
CC(C)n1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	743623286	CAIKJWWTKVPROA-MRXNPFEDSA-N	407.465	3.534	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1N1CCOC1=O	743233386	VMLAEWGQFKRBJW-UHFFFAOYSA-N	410.474	3.574	10	20	HHCD	
CC(C)n1ccnc1SCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	917206286	PBKUMAGMJAJGEB-HZPDHXFCSA-N	420.554	3.625	10	20	HHCD	
CCCCCOc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1	743047132	RBRHSZUNYHGXFV-UHFFFAOYSA-N	406.533	3.913	10	20	HHCD	
CCNC(=O)c1cccc(NC(=O)N(CC)Cc2cc(Br)ccc2O)c1	743077631	CPJUMBQGFBMHPZ-UHFFFAOYSA-N	420.307	3.958	10	20	HHCD	
CCC(CC)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)NC(=O)OC(C)(C)C	745837393	LUEJTQODGQYRFC-UHFFFAOYSA-N	416.566	3.946	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cccc(SC(F)F)c1	749730705	SLRQAZPPSAXRKO-UHFFFAOYSA-N	403.501	3.695	10	20	HHCD	
Cc1cc2cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)oc2cc1C	742566358	NBQLDPJZKYBAJX-SFHVURJKSA-N	405.498	3.681	10	20	HHCD	
CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)NCc1ccc(N(C)C)c(F)c1	748622650	FZSIRQXEERGCSG-NRFANRHFSA-N	405.489	3.932	10	20	HHCD	
CCCCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1(C)C	748958480	FOIHBBWPZUYUQS-RTWAWAEBSA-N	421.557	3.570	10	20	HHCD	
Cc1cc(C(=O)CSc2ncc(CO)n2C)c(C)n1-c1ccc(OC(F)F)cc1	746140260	UFRFCOXVHKZDNG-UHFFFAOYSA-N	421.469	3.896	10	20	HHCD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)C2	742556294	FYIHDPNJWWJONJ-SAHWJRBASA-N	412.505	3.676	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-]	756337383	WLKTZSBGDCVLJM-MRXNPFEDSA-N	419.865	3.574	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CNC(C)(C)c3cccs3)cc2F)C[C@@H](C)O1	754821485	VEVCLGORGPBADY-HZPDHXFCSA-N	419.566	3.642	10	20	HHCD	
C[C@@H](NC[C@H](O)c1ccco1)c1cc(Br)cc(Br)c1O	756382808	UWDNLCGDFHUXHU-PELKAZGASA-N	405.086	3.894	10	20	HHCD	
C[C@@H](NC(=O)N1CCO[C@@H](CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	754170849	YFZMJQRRFWXAJZ-YKSBVNFPSA-N	423.557	3.627	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(=O)n(CCN(C)C)c3)c2C)c1	756067151	OOCAFCCFRVLUGB-UHFFFAOYSA-N	406.530	3.687	10	20	HHCD	
CC(C)CCN1CCC(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	751087793	OTZMFSPRCDEOTK-FQEVSTJZSA-N	416.610	3.642	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(F)n1	767169359	RBEYHVNGMMTDHO-ZRDIBKRKSA-N	407.517	3.902	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2nc(CCC(=O)OC)cs2)cc1	769014020	RQHULRBHHGUVFR-UHFFFAOYSA-N	404.536	3.759	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1	761788404	VADZWTHKWHRMLJ-HSZRJFAPSA-N	422.573	3.865	10	20	HHCD	
CCCN(C(=O)c1cccs1)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1	768462521	MKKXFBOMAKFVOV-UHFFFAOYSA-N	418.559	3.988	10	20	HHCD	
COc1ccc(CC[C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	761033877	XBHATZFTEXKLQF-CQSZACIVSA-N	402.878	3.840	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)s3)o2)cc1	768397260	YXNZTTYAZCMHGO-UHFFFAOYSA-N	408.936	3.926	10	20	HHCD	
Cc1cccc(CN(Cc2ccco2)C(=O)c2cc(NS(C)(=O)=O)ccc2O)c1	769672366	HUAZIIXXHIJQLP-UHFFFAOYSA-N	414.483	3.508	10	20	HHCD	
C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)c1c[nH]c2ncccc12	767496623	RCDPKGYHOXZDTI-CYBMUJFWSA-N	424.412	3.767	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NC[C@@H](O)CN2CCc3ccccc3C2)c1O	779002939	KFOYXWWIFWNOTH-DNVCBOLYSA-N	419.363	3.533	10	20	HHCD	
Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775404713	NHADVOVMRVKIKK-MRXNPFEDSA-N	409.559	3.876	10	20	HHCD	
C[C@H](NC[C@@H](O)c1ccc(F)c(Br)c1)c1ccc(N2CCOCC2)cc1	775649254	JTQIUCSEAVOTQN-VBKZILBWSA-N	423.326	3.809	10	20	HHCD	
C[C@H](NC(=O)NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(N(C)C)cc1	773437795	CITIMGVGFATOAS-HNNXBMFYSA-N	411.481	3.935	10	20	HHCD	
CC[C@]1(C)Oc2ccc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cc2O1	771998098	KHLCNPNHBIVLOU-HXUWFJFHSA-N	402.834	3.912	10	20	HHCD	
c1cc(N2CCOCC2)ccc1CNc1ccc(OCc2noc(C3CC3)n2)cc1	770570368	GOHJKTJVGTVNRU-UHFFFAOYSA-N	406.486	3.975	10	20	HHCD	
C[C@H](Oc1ccccc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	774362450	MBSBVPWGEHRCHW-INIZCTEOSA-N	420.465	3.535	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC4(CC3)CCN(Cc3ccccc3)C4)cc2)CC1	775730479	CWHYNOZACUASGW-UHFFFAOYSA-N	418.629	3.927	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	787259942	AXXHNGKMRGNLIA-UHFFFAOYSA-N	420.391	3.989	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	782616860	NJBYZNZTUFIVDR-SZMVWBNQSA-N	404.555	3.949	10	20	HHCD	
CCCNC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1	784060927	LAFGVYRMHVPUKG-UHFFFAOYSA-N	422.529	3.713	10	20	HHCD	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1	783839120	QAMKATLIGPURLS-UHFFFAOYSA-N	420.849	3.711	10	20	HHCD	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788934642	XAFJGKBEHXDROG-LJQANCHMSA-N	405.542	3.730	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c1	791909536	JILILRMWARHIHN-UHFFFAOYSA-N	400.475	3.997	10	20	HHCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@@H](C(N)=O)c1cccc(Br)c1	792175566	WFXFXSNSOPUZDT-OAHLLOKOSA-N	401.663	3.606	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2C(C)C)c(O)c1	797389964	HJXVAIMLZAHOAE-UHFFFAOYSA-N	421.291	3.542	10	20	HHCD	
CCNc1ccc(Cl)cc1C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1	792470907	MTRAQOXQZSWISW-UHFFFAOYSA-N	400.910	3.693	10	20	HHCD	
Cc1cccc2nc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cn12	1318737213	KFVDMMDANPQLIP-HNNXBMFYSA-N	400.429	3.643	10	20	HHCD	
CN1CCN(c2ccc(CNc3nnc(Cc4ccc(Cl)cc4)o3)cc2F)CC1	1320110237	RPBKMFYRMDCVGZ-UHFFFAOYSA-N	415.900	3.817	10	20	HHCD	
OC[C@H](CNCc1ccc(N2CCCC2)cc1)Cc1cccc(Br)c1	1320789087	RULVPCKZUUUXED-IBGZPJMESA-N	403.364	3.990	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c(C)n1-c1ccc(F)cc1	10547432	RTLHIDFVKOFZFU-UHFFFAOYSA-N	415.490	3.535	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	13343638	SVRNVIMZPFUDPC-IZZDOVSWSA-N	404.282	3.654	10	20	HHCD	
CN(c1ccc(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)cc1)C1CCCCC1	302077990	HWCVPUHJNXRDHU-UHFFFAOYSA-N	418.519	3.623	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCn1ccc2ccccc21	302902753	UOBICIIUGHNZMO-UHFFFAOYSA-N	406.530	3.710	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)ccc21	482581686	QGAZUEXIACERQE-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H](CNC(=O)C(C)C)C2)c(C)n1-c1cccc(F)c1	726188130	NVIJGYQETWATHF-LJQANCHMSA-N	413.537	3.900	10	20	HHCD	
COCCCOc1cccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c1	726196362	OHFWIMDOISPCFK-XDJHFCHBSA-N	414.552	3.941	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)c1	726797025	UNPULTJWULYTGE-OAQYLSRUSA-N	404.422	3.959	10	20	HHCD	
C[C@H](NC(=O)NCCNc1ccc2ccccc2n1)c1ccc(N2CCOCC2)cc1	726847659	ABIXRELBNBUBTM-SFHVURJKSA-N	419.529	3.544	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1	727759829	BJTQEPGYXSXWFW-QGZVFWFLSA-N	411.527	3.575	10	20	HHCD	
Cc1ccc(CN(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	728055808	JZLWUBROQOTYRM-IYBDPMFKSA-N	419.566	3.557	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cccc(-c4n[nH]c(C)n4)c3)CC2)cc1	728738214	ICKKTVXAFMXULO-UHFFFAOYSA-N	406.490	3.533	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2CCC[C@H]2CO)sc(C)c1-c1ccccc1	729543385	SPHSYIPOFAIGKR-KRWDZBQOSA-N	416.543	3.686	10	20	HHCD	
COc1cccc(CNC(=O)Nc2nnc(SCc3ccccc3)s2)c1O	729547625	MPEAVGSCFQWVRS-UHFFFAOYSA-N	402.501	3.866	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1N1CCCCC1=O	734644308	QHQPIJRUCQCMER-UHFFFAOYSA-N	410.518	3.908	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(N2CCSCC2)CCCCC1	734669252	RGSBQNJCWUFTLW-UHFFFAOYSA-N	404.624	3.612	10	20	HHCD	
CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	736196669	WFGFWIJVTUHSMP-UHFFFAOYSA-N	423.557	3.810	10	20	HHCD	
CCS[C@@H]1CCCCN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)C1	738220259	NFMQLHBHWDLSIL-OAQYLSRUSA-N	406.592	3.535	10	20	HHCD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	742689058	CUUNAHSQXDVGAD-NMNUPHIUSA-N	402.579	3.885	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(Br)c(F)c3)CC2)cc1	743210149	JFWLYAUCQYSEKB-UHFFFAOYSA-N	408.271	3.951	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(C(F)(F)F)ccc1F	743958104	LFWDLIBYCLTMQW-UHFFFAOYSA-N	410.367	3.684	10	20	HHCD	
CN(C)c1cccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	745787810	HKLCWPCJIQYSLE-QGZVFWFLSA-N	418.488	3.822	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](c4ccccc4C)C3)CC2)cc1	745794937	AEDNTLYCMDNOPF-HSZRJFAPSA-N	409.530	3.756	10	20	HHCD	
CC(C)(C)N1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745906189	YFOXTELVQQRXCO-QGZVFWFLSA-N	424.536	3.773	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1cncc(Br)c1	747856353	UGLJHCHUZNDVNO-UHFFFAOYSA-N	414.281	3.908	10	20	HHCD	
COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1	748933814	KAZPCSQNILDBMQ-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	751303345	WPJLZWGGIJJWEI-INIZCTEOSA-N	405.502	3.620	10	20	HHCD	
COc1ccc(N(C)CC(=O)N[C@H](C)c2ccc(Br)cc2)c(OC)c1	752123616	TZWCPUXTTSHTRV-CYBMUJFWSA-N	407.308	3.780	10	20	HHCD	
COc1cc(OC)cc(OCCCN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)c1	753929257	JOBDWZFWYQYORY-UHFFFAOYSA-N	419.497	3.519	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnc(Br)cc3C)CC2)cc1	754458403	ZYMWHRGAVRJRBT-UHFFFAOYSA-N	405.296	3.515	10	20	HHCD	
CCc1cc(N2CCC[C@@H](N[C@H](C)c3cc(Br)ccc3O)C2)ncn1	756710814	FBQVZELECGNDAS-CZUORRHYSA-N	405.340	3.827	10	20	HHCD	
C[C@@H](NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1O	756763576	XHOKMDMDHXTZHW-OCCSQVGLSA-N	414.380	3.701	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCSCc2nc(O)c3ccccc3n2)c1	761974089	STSJLEBEBJMUQE-ZDUSSCGKSA-N	413.499	3.550	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(OCC(F)(F)F)nc1	765234475	KTABNQUCRYDLII-UHFFFAOYSA-N	420.185	3.813	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CC4(CCC4)Oc4ccccc43)cc2)C1	765250183	BSZHPFSKUCSOAV-DENIHFKCSA-N	405.542	3.924	10	20	HHCD	
COc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc(OC)c1OC	765288596	XZYMJSIVTYXRAL-HNNXBMFYSA-N	418.509	3.663	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(CCO)Cc1ccc(Cl)c(Cl)c1	767787509	GLPHSHNGKSOWQB-UHFFFAOYSA-N	424.372	3.512	10	20	HHCD	
CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(O)c(O)c1	768415804	TWCLMMVLZQZVAM-UHFFFAOYSA-N	419.890	3.917	10	20	HHCD	
CC[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1NC(=O)OC(C)(C)C	769485959	REDXVIYQVZTYGN-AZUAARDMSA-N	421.557	3.788	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N2CCOCC2)c(F)c1	770383964	YLKPFMXASHJQIM-SJLPKXTDSA-N	407.530	3.540	10	20	HHCD	
CCCOc1cccc(CCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	771212921	MZVJNTHKPSJRQH-LJQANCHMSA-N	411.546	3.915	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](O)Cc1ccccc1Cl	773338468	RAYYYGGHPKNVOW-QGZVFWFLSA-N	412.711	3.760	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(N(C)C)cc1	773609494	ABDJFAKJICKNSY-SBUREZEXSA-N	416.566	3.856	10	20	HHCD	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NCCc3ccc(O)c(O)c3)ccc21	774362989	POMHJXAXNQGVRS-UHFFFAOYSA-N	417.465	3.523	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCN(Cc2ccccc2Cl)CC1	779485149	YTMBPXYIVDYTGD-SOFGYWHQSA-N	400.906	3.793	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	779522078	QGESCACPVJXORH-RLXIPRIJSA-N	406.404	3.521	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3c([N+](=O)[O-])ccc4c3CCN4)cc2F)C[C@@H](C)O1	779707344	DUARHWNSXJIJAQ-ZIAGYGMSSA-N	400.454	3.928	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	785609221	AORAXPKUHMWVJS-KBUPBQIOSA-N	422.241	3.859	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)Sc2n[nH]c(CO)n2)c(C)n1-c1ccc(OC(F)F)cc1	787486690	QZEOPACWIPEZBB-GFCCVEGCSA-N	422.457	3.669	10	20	HHCD	
C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1F	796695265	NGKHQXFACLKGDF-CYBMUJFWSA-N	408.315	3.621	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H](C)c3nnc4n3CCC4)cc2Cl)C1	799923978	ZOVVIMZVGDJMDH-GJZGRUSLSA-N	416.957	3.674	10	20	HHCD	
O=C(c1ccc(F)cc1)c1cc(Cl)ccc1N[C@H]1CCN(C2CCOCC2)C1=O	799967142	GXQGZKNPPCKXQW-FQEVSTJZSA-N	416.880	3.902	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC(NS(=O)(=O)CC)CC2)cc1	809736386	RXVZGXQYURROGX-UHFFFAOYSA-N	415.603	3.617	10	20	HHCD	
COCCc1nc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)no1	809953549	OEFDLAGMTKGWDC-INIZCTEOSA-N	400.504	3.593	10	20	HHCD	
CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1cc(Cl)cc(Cl)c1O	813685614	MMWQSPIYQOFPOZ-UHFFFAOYSA-N	402.299	3.811	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)sc2C)cc1	818787609	FFJALQOPNIASCC-UHFFFAOYSA-N	415.496	3.559	10	20	HHCD	
CSCC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1nnc2ccccn12	914849081	BRCBJKDBUUZMJD-SFHVURJKSA-N	420.542	3.756	10	20	HHCD	
CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	915729644	RNAHYDGFDUOFKW-NRFANRHFSA-N	423.517	3.514	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	915848369	MQFCUMKTBNVRSP-UHFFFAOYSA-N	407.474	3.897	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3cccc(F)c3)cc2F)C[C@H](C)O1	918221711	RHVFRWHHOTVDCY-HOTGVXAUSA-N	403.473	3.920	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)Cc3ccc(O)cc3)cc2F)C[C@@H](C)O1	919912397	GGCPZHOTWOSHNN-ZACQAIPSSA-N	415.509	3.575	10	20	HHCD	
Cc1ccc2nc(CSCC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cn2c1	920889997	SPSDEJMXZWPMCZ-GOSISDBHSA-N	424.570	3.590	10	20	HHCD	
Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)n1	16134546	NJSXWYBOURZESX-UHFFFAOYSA-N	404.514	3.598	10	20	HHCD	
COc1ccc(-c2nnc(NC(=O)N3CCOc4cc(N(C)C)ccc43)s2)cc1	481982194	PDEHYRJBKLAZEH-UHFFFAOYSA-N	411.487	3.711	10	20	HHCD	
CCOc1ccc(C(=O)CCC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726562374	LLFJKSOLJDLGPD-UHFFFAOYSA-N	410.514	3.842	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cc4c(cc3OC)C[C@@H](C)O4)SC2=S)cn1	726985624	CWYAHFFJRXDXNF-LBFZPMSMSA-N	414.508	3.828	10	20	HHCD	
COc1cccc(N2CC[C@H](NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)c1	728300797	CHPIJZYDIBAHDT-IBGZPJMESA-N	410.518	3.962	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)c3cccc(O)c3)cc2F)C[C@@H](C)O1	732885919	CKBJQWPPQCTLLI-OWCLPIDISA-N	401.482	3.705	10	20	HHCD	
CN(C)c1ccc(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1F	733323986	CDLPJIPUCSQDIZ-UHFFFAOYSA-N	401.795	3.896	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)COC[C@@H]3CCCO3)c2C)c1	733595848	IZXJTXCKAVWXMW-SFHVURJKSA-N	417.527	3.738	10	20	HHCD	
COc1cccc(CNCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)c1O	733900986	VIWUTXHKXDLDAA-UHFFFAOYSA-N	401.463	3.971	10	20	HHCD	
CCN(CC)c1ccc(/C=C(/C(=O)NCCOC)c2nc3ccccc3[nH]2)cc1F	739426382	LIMDUNKTOPXUKJ-SAPNQHFASA-N	410.493	3.851	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1	740813032	OLSVUDAAOAUKER-UHFFFAOYSA-N	416.952	3.991	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(-c4cnn(C)c4)c3)cc2F)C[C@H](C)O1	741541382	MUBIDDKEDWTYJH-IRXDYDNUSA-N	422.504	3.770	10	20	HHCD	
COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCc2c(O)ccc3c2CCCC3)c1	743085752	QWDGRQHJKONDGI-UHFFFAOYSA-N	423.513	3.980	10	20	HHCD	
CC(C)CCOc1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1	743957957	FSYNZQOMAHQVHU-UHFFFAOYSA-N	410.514	3.951	10	20	HHCD	
CCN1CCN(C[C@H](C)CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1	745863247	USWVOMJHTXGUSM-HXUWFJFHSA-N	416.610	3.510	10	20	HHCD	
C[C@H](NC(=O)N(CCO)[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	749557313	DFDLFRCSJJTLPQ-CYFREDJKSA-N	423.557	3.666	10	20	HHCD	
Cc1cc(C)c2cc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)sc2n1	749630796	DVLUCJLVOSQIGF-UHFFFAOYSA-N	411.527	3.795	10	20	HHCD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1	750826832	FGXOPOXPNNMFDP-HZPDHXFCSA-N	400.441	3.623	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)c(OC)c1	752123322	RSFKPQWSEXIJGC-IBGZPJMESA-N	414.502	3.521	10	20	HHCD	
CC(C)Oc1c(F)cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1F	752878027	SUVWZIHOWNKWLM-UHFFFAOYSA-N	405.445	3.910	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3F)CC2)cc1F	753739019	OOGTWLBSCGQVJS-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)s1	753978441	OXJGYXIIXBRGQK-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csc([C@@H]2CCCO2)n1	755841621	NLFFYMUYEMIYPG-KRWDZBQOSA-N	423.485	3.995	10	20	HHCD	
C[C@@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1cc(Br)ccc1O	756345292	WOWYHSNCGJRYQM-RHSMWYFYSA-N	424.408	3.856	10	20	HHCD	
C[C@H](NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756502347	HFHXTYXLTQPIPA-IFXJQAMLSA-N	405.882	3.678	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cncc(Br)c3)CC2)cc1	757899273	SCPWEXHDOKRVIP-UHFFFAOYSA-N	405.296	3.643	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(c3cccc(C(=O)O)c3)C1=O)OCO2	758816499	SIRRLMSIDSKPLT-APSNUPSMSA-N	415.448	3.528	10	20	HHCD	
C[C@@H](c1ccccc1)n1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	760075365	CEEHGIFEOOATEQ-KRWDZBQOSA-N	423.492	3.790	10	20	HHCD	
Cc1c(I)cccc1C(=O)N(C)Cc1ccc(N(C)C)cc1	760320247	ONVNUCPSGPOUDR-UHFFFAOYSA-N	408.283	3.938	10	20	HHCD	
CC[C@@H](CC(F)(F)F)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	760771445	NGKRJGQVSLKJJF-JTQLQIEISA-N	420.343	3.831	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3cc(F)ccc3C(F)(F)F)no2)c1	761634081	VYOIYUPSPYKCEL-UHFFFAOYSA-N	417.340	3.639	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccccc1O[C@@H]1CCOC1	765316327	XGBNJTOOZCOHED-CYBMUJFWSA-N	407.264	3.644	10	20	HHCD	
CC(=O)CCc1ccc(O[C@H](C)C(=O)NCc2cccc(Br)c2O)cc1	765728280	FXDPVMRJNGEPHM-CQSZACIVSA-N	420.303	3.760	10	20	HHCD	
O=C1/C(=C/c2cncc(Br)c2)SC(=S)N1CCc1cccnc1	767361115	VMUOLTIBKMFXKP-AUWJEWJLSA-N	406.330	3.683	10	20	HHCD	
Fc1cc(CNc2nc(-c3cccnc3)nc3c2CCC3)ccc1N1CCOCC1	768523499	VAJUUGZAUNEEPS-UHFFFAOYSA-N	405.477	3.615	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)c1	769739293	YHKIMFBBRHKMRU-UHFFFAOYSA-N	420.506	3.530	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N2CCOCC2)c(F)c1	770383957	YLKPFMXASHJQIM-AEFFLSMTSA-N	407.530	3.540	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4CCCC(C)(C)C4)n3)CC2)cc1	771065981	HJAFDUXBYBSLKP-QGZVFWFLSA-N	412.534	3.653	10	20	HHCD	
C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)c(Cl)cc1O	774350015	QHTKJLCPNUPXOD-AUUYWEPGSA-N	423.340	3.820	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CCCNC(=O)C(F)(F)F	774619768	YQGJGWJQJSULCM-UHFFFAOYSA-N	415.456	3.533	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)c1	775370970	YIFMSMURRHKVDY-KBPBESRZSA-N	421.335	3.861	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c(C2CC2)nc2sccn12	775687359	YQDXUGYBPVJGLU-UHFFFAOYSA-N	405.907	3.807	10	20	HHCD	
COc1ncc(/C=C/C(=O)N(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)cn1	775847347	CPHVKMBMTQQGFJ-XBXARRHUSA-N	423.494	3.873	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)Nc2ccc(N3CCCCC3)nc2)C2CC2)cc1	777558112	CDYIICZNAYDHOM-UHFFFAOYSA-N	407.562	3.741	10	20	HHCD	
Cn1cnnc1Sc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1Cl	779512066	XPPUQMHRBLVNKJ-CLTKARDFSA-N	402.863	3.683	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3COC(C)(C)C)c2)CC1	781278771	RNDFOJIHPYGVKQ-UHFFFAOYSA-N	409.530	3.923	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3cc(Br)ccc3O)cn2)CCO1	783647749	RPHDRVFYNGKGMM-KBPBESRZSA-N	406.324	3.626	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1	784023969	HJWQXPDVTNAPTR-UHFFFAOYSA-N	420.469	3.697	10	20	HHCD	
O=C(OC/C(Cl)=C\Cl)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785408083	PVVIUQVJFKWFCK-VQHVLOKHSA-N	408.284	3.730	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCc4c(O)cccc43)cc2F)C[C@@H](C)O1	789743413	VPUKPCNMIRMQQV-JXXFODFXSA-N	412.505	3.881	10	20	HHCD	
COC(=O)c1nc([C@@H]2CCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)sc1C	793240983	LRFXAMDFLYUHIU-LBPRGKRZSA-N	411.867	3.842	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1	793558843	IKQRZRCUSMYHQS-LLVKDONJSA-N	403.422	3.674	10	20	HHCD	
COc1ccc(CNC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1	794388394	RSEXSUNSTREONR-HNNXBMFYSA-N	406.523	3.690	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3csc4cc(C)ccc34)cc2)CC1	795311537	YJBCAHITYJRIQE-UHFFFAOYSA-N	407.539	3.808	10	20	HHCD	
COc1ccccc1-n1nccc1CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	797464774	GTSVKXQJIGLYJK-HDICACEKSA-N	424.520	3.923	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1	797624452	FOKZTXXNXXZBCH-CZUORRHYSA-N	404.438	3.547	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2	797722525	UPMVTYMATVPHEY-JOCHJYFZSA-N	422.525	3.973	10	20	HHCD	
CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1	799637807	BIOAKTLNBJLOSF-UHFFFAOYSA-N	401.532	3.570	10	20	HHCD	
COc1ccc(-n2c(Sc3ncc([N+](=O)[O-])s3)nnc2-c2ccccn2)cc1	799944080	XYEIHWQDWKIPTK-UHFFFAOYSA-N	412.456	3.854	10	20	HHCD	
CCSCCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	800058322	JVARCPYCFFYEQK-OWBHPGMISA-N	414.643	3.989	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccccc2S[C@H](C)C(N)=O)cc1F	801153647	OCYVPVFCZGQNLA-CQSZACIVSA-N	403.523	3.568	10	20	HHCD	
CCCC1CCC(N(C)C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	803300619	JNIILMLYTJMNKX-LWEYNCJUSA-N	415.578	3.518	10	20	HHCD	
Cc1cc2nc(C)c(CCC(=O)NCc3cc(Cl)cc(Cl)c3O)c(C)n2n1	807835989	DIJCNQHUCROJJM-UHFFFAOYSA-N	407.301	3.916	10	20	HHCD	
CCS[C@H]1CCC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)C1	809235522	LDPGZSVGUHZVDD-ICSRJNTNSA-N	405.608	3.672	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)cc1	812495956	ZFRYXTDIUWZBOP-UHFFFAOYSA-N	420.478	3.677	10	20	HHCD	
C[C@@]1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)OCCc2sccc21	812551106	AGYKMBBKZISNCM-JTSKRJEESA-N	416.543	3.632	10	20	HHCD	
Cc1cc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Cl	812916501	WKXKZFZRUVARBT-UHFFFAOYSA-N	419.928	3.791	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cn(C)nc1C1CC1)c1ccc(N)cc1	812983906	LRGGJBUXIRHSEW-OAHLLOKOSA-N	403.486	3.613	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cccc(Br)c3O)CC[C@@H]21	814174509	BNSVLPMNZDLUAE-BBRMVZONSA-N	411.340	3.986	10	20	HHCD	
O=S(=O)(CCCNCc1cc(Br)ccc1O)c1ccc(Cl)cc1	815166803	VGPPFUGUNQEQAH-UHFFFAOYSA-N	418.740	3.762	10	20	HHCD	
C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1cccc(C(F)(F)F)c1O	815566419	SUPKFZJVMRYXGM-INIZCTEOSA-N	424.463	3.973	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1	815594282	KYSAVFJWMJIZKE-IBGZPJMESA-N	407.514	3.935	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	819427525	OKQHPGSZASOKJI-UHFFFAOYSA-N	403.500	3.702	10	20	HHCD	
CCN(CC)c1ccc(CNC(=N)NC2CCN(Cc3ccccc3)CC2)cc1F	849102157	BXFDKHSRHGEUFB-UHFFFAOYSA-N	411.569	3.950	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C2CC2)cc1	914724836	ZUHOTOJMNWWDSJ-JOCHJYFZSA-N	419.569	3.725	10	20	HHCD	
Cc1cc(C)n2nc(CCCOC(=O)c3sccc3-n3c(C)ccc3C)nc2n1	918501042	NGRATMOPFBIVOW-UHFFFAOYSA-N	409.515	4.000	10	20	HHCD	
CN(C[C@@H]1CCCCO1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	918684507	PGPXNUMQUGTNOH-QXPQOBGOSA-N	424.613	3.757	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1	918698834	JEAFLHFIUYVAOO-IBGZPJMESA-N	410.606	3.831	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccccc1C(F)(F)F	919782728	DHMFCUWDOWLXOK-UHFFFAOYSA-N	421.463	3.926	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCN(C(=O)CC(C)C)CC2)c(C)n1-c1ccccc1	1331504735	QQLOVLCKPQRKBB-UHFFFAOYSA-N	410.562	3.537	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1	1342917304	VQJWXXWJTCWBKW-IBGZPJMESA-N	410.470	3.607	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccccc1OC(F)F	71939860	VJLDUTGGAGUEKH-UHFFFAOYSA-N	405.445	3.818	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1	433361411	HUGYXZIZVCVIGJ-UHFFFAOYSA-N	418.375	3.861	10	20	HHCD	
Cc1c(I)cccc1C(=O)N1CCOc2cc(N(C)C)ccc21	472030350	RGUKIQYMRFUBCA-UHFFFAOYSA-N	422.266	3.705	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)n(C)c2ccccc12	482912365	VUDJCKXGSLPKAJ-CABCVRRESA-N	409.452	3.588	10	20	HHCD	
Cc1c(CNC(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)n(C)c2ccccc12	527454064	JZOZOAMDGHPUSR-DVECYGJZSA-N	420.557	3.575	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](c1ccccc1)[C@@H]1CCCO1	726706624	OSPGYMDTPLTVJO-VXKWHMMOSA-N	411.571	3.959	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c1	728978361	DODQRCRVRKWDCF-ZLPCBKJTSA-N	402.535	3.833	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cnn1-c1ccc(F)cc1	735518211	HMJYSXGULBOULH-HXUWFJFHSA-N	409.461	3.847	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1	739817158	RPSACAJAYYCIOF-UHFFFAOYSA-N	403.408	3.669	10	20	HHCD	
O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)cc2N1	739898892	PSISJYFUHUBRGS-AWEZNQCLSA-N	400.410	3.953	10	20	HHCD	
CC1CCN(c2cccc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)c2)CC1	740610209	SZCBOYRNZAAMFJ-UHFFFAOYSA-N	413.543	3.616	10	20	HHCD	
COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(OC)n1	743315135	PFFLSNJXEHMAID-UHFFFAOYSA-N	410.474	3.992	10	20	HHCD	
COc1ccc([C@H](C)CCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	743555497	ZUFXCYVCGOBFLX-QGZVFWFLSA-N	415.509	3.664	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1	743905465	FSUOFTKDZTZDEB-CYBMUJFWSA-N	416.449	3.677	10	20	HHCD	
Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccc(N(C)C)c(F)c3)cc12	746803386	VGYNWPNECJVKIX-UHFFFAOYSA-N	403.461	3.864	10	20	HHCD	
CC(=O)c1cccc(OCCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	746878248	TUMNZNFLGIFGBZ-UHFFFAOYSA-N	424.541	3.573	10	20	HHCD	
C[C@H](Cc1ccsc1)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748033303	DBXDTHIPDYHWLM-GFCCVEGCSA-N	422.553	3.677	10	20	HHCD	
O=C(Nc1ccn(CC(F)F)n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	748951170	IIVHEQGTEJUHES-UHFFFAOYSA-N	415.391	3.540	10	20	HHCD	
C[C@H](NC(=O)N1CCc2c(F)ccc(F)c2C1)c1ccc(N2CCOCC2)cc1	752359670	GJYBCNIMNTVMNA-HNNXBMFYSA-N	401.457	3.630	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1	752640484	DVXWLGYBFRVGPO-RBUKOAKNSA-N	418.534	3.593	10	20	HHCD	
Cc1cc(Br)ncc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	754457080	QTMYJYZHGUYLSU-CQSZACIVSA-N	419.323	3.872	10	20	HHCD	
O=C(Nc1ccccc1O[C@H]1CCOC1)N(Cc1ccccc1O)C[C@H]1CCCO1	760062183	ODGRQIJHSWLIDC-MOPGFXCFSA-N	412.486	3.773	10	20	HHCD	
Cc1cc(C(=O)CSCc2nnnn2CC(F)(F)F)c(C)n1-c1ccccc1	762411354	YAMKDOTZZWAXQY-UHFFFAOYSA-N	409.437	3.759	10	20	HHCD	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C1/SC(N2CCOCC2)=NC1=O	763289259	IBLUGCHIGADAOL-QGOAFFKASA-N	410.543	3.531	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(C4CCCCC4)C3=O)cc2)CC1	765770636	YUJBGGNEKVCBEL-JOCHJYFZSA-N	412.578	3.656	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4c(cnn4C(C)C)c3=O)c2C)cc1	768466763	QBOIBMLVAJTZEM-UHFFFAOYSA-N	403.486	3.773	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccn(-c2ccccc2)n1	768914628	FTPXDWDKNIZYKA-GOSISDBHSA-N	410.905	3.626	10	20	HHCD	
C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1CNC(=O)OC(C)(C)C	769424525	LCAOTYITDHLZIC-GHTZIAJQSA-N	403.567	3.648	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccccc3COC3CCOCC3)c2)CC1	770153458	MYARLDQQXZEEPC-UHFFFAOYSA-N	423.557	3.776	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	772797631	HDZJDPVHYJHLGY-LBPRGKRZSA-N	422.279	3.912	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(F)cc2NS(C)(=O)=O)c(C)n1-c1ccc(F)cc1	774011807	GQVCVCMJFLMIKJ-UHFFFAOYSA-N	419.453	3.996	10	20	HHCD	
O=S(=O)(c1ccc(Cl)s1)N1CCCN(Cc2cccc(Cl)c2O)CC1	775669482	KJWGYXRDMQCGRM-UHFFFAOYSA-N	421.371	3.657	10	20	HHCD	
COC(=O)c1ccc(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)o2)cc1	775951564	LGLVBXLNUNLBGA-UHFFFAOYSA-N	406.482	3.860	10	20	HHCD	
CSc1ccc(C)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	776041302	HTLNMWLKSNTSTH-QGZVFWFLSA-N	414.527	3.569	10	20	HHCD	
Cc1c(Br)cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1[N+](=O)[O-]	776749037	VCSGBNNBFSIFIV-UHFFFAOYSA-N	421.656	3.826	10	20	HHCD	
CC(C)(C)Sc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccn1	778627993	RVGWNSMRRAYTCK-UHFFFAOYSA-N	403.523	3.878	10	20	HHCD	
COc1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783315438	DPCOPMHBSMOBNK-UHFFFAOYSA-N	403.910	3.790	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-c2ncco2)c1	783316557	PBGMDYWANFSMIY-UHFFFAOYSA-N	406.486	3.783	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783317335	PPKZRVMUCAYEQA-UHFFFAOYSA-N	412.490	3.653	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3cc(Cl)c(OC)cc3C)CC2)cc1	788599557	DSQJBPFQZBABNE-UHFFFAOYSA-N	424.950	3.567	10	20	HHCD	
COc1ccc(CNC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c(O)c1	794378093	CARCALYOAZQKBV-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
CCC(=O)c1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c([N+](=O)[O-])c1	795072477	FHKSFPYHVOSIHQ-QGZVFWFLSA-N	410.474	3.501	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C1CCN(C(=O)COc2ccccc2)CC1	801544981	FETRTQVUSUMTKN-UHFFFAOYSA-N	424.541	3.839	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(CC(C)C)[C@H]1CCCc2cccnc21	807103913	XJJFMDMUFWAMLA-QFIPXVFZSA-N	422.573	3.634	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@@H](O)c1cccc(F)c1	807932087	PFTDCPAKTBQMFZ-OAQYLSRUSA-N	416.493	3.638	10	20	HHCD	
O=C(N[C@@H](c1cccnc1)C1CC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	808295227	QUQVFUPUBJOKIZ-JOCHJYFZSA-N	407.514	3.716	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1	814447835	SPJBCSSMFSIJNB-QGZVFWFLSA-N	410.518	3.968	10	20	HHCD	
CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2cccc(C(F)(F)F)c2O)CC1	815573904	XOEVMQABYZOQSR-OAHLLOKOSA-N	421.463	3.930	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1	817932823	XNVAJURXAVRHKM-LFIBNONCSA-N	401.469	3.626	10	20	HHCD	
O=C(Nc1ccccc1C(F)(F)F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918294227	DGLFVYXFDQZLCT-HNNXBMFYSA-N	422.403	3.557	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919969741	XZBZKGNBLINESR-UHFFFAOYSA-N	422.504	3.519	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)/C=C(/C)c3ccc(F)cc3)CC2)cc1	921304916	UXZKYPOWPIWBDX-HNENSFHCSA-N	411.521	3.566	10	20	HHCD	
CN(CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)Cc1ccccc1	1116149727	XESKPFNMAPIJEP-GOSISDBHSA-N	403.473	3.505	10	20	HHCD	
CCCN(Cc1nc(O)c2sccc2n1)C(=O)NCc1ccc(N(C)C)c(F)c1	1318052983	MSJIGMQUEGZLSE-UHFFFAOYSA-N	417.510	3.724	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@](O)(C3CC3)C2)c(C)n1-c1ccc(Br)cc1	1321094218	KAKSVMQNHLIADR-HXUWFJFHSA-N	403.320	3.844	10	20	HHCD	
CN(CCC(F)(F)F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	1337779718	JISIVBAJFHMWKV-UHFFFAOYSA-N	413.362	3.636	10	20	HHCD	
O=C(CCC(F)(F)F)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1787869763	SNEBLVINVMWFNU-UHFFFAOYSA-N	423.391	3.583	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCSc1ccc(F)cc1	302904269	WQVLEXDUAWYINX-UHFFFAOYSA-N	417.550	3.986	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)cc1	516873332	OZEQANNDRQEQLN-MRXNPFEDSA-N	413.543	3.841	10	20	HHCD	
CN(C)c1ccc(CN(Cc2cn(Cc3cccnc3)nn2)Cc2ccco2)cc1	809731849	UAOSZKJSCVRSLV-UHFFFAOYSA-N	402.502	3.583	10	20	HHCD	
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807288993	GDYLFMNSCKEKLY-UHFFFAOYSA-N	405.542	3.635	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1	801982694	APWSDOMZPSVULD-QFIPXVFZSA-N	411.546	3.777	10	20	HHCD	
Cc1cc(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)c(C)n1-c1ccc(F)cc1	808051199	NEUBPWFIYAOMTM-UHFFFAOYSA-N	420.492	3.506	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1	801854452	KRSXIQULZJIHIK-VXKWHMMOSA-N	421.545	3.757	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1	802209749	MWIBEGDNAOTGRK-VSKRKVRLSA-N	421.541	3.861	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	802265332	RYOWKKXEXUFAET-NRFANRHFSA-N	409.530	3.895	10	20	HHCD	
Cc1cc(C(=O)NCC2(S(C)(=O)=O)CCCC2)c(C)n1-c1ccc(Cl)cc1	804699567	SDLSSAHQRUXNML-UHFFFAOYSA-N	408.951	3.835	10	20	HHCD	
O=C(NCc1ccccc1O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1	726241914	HYJVWXRJKRUKHW-GOSISDBHSA-N	417.465	3.789	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	725730604	ZBABUYHMXUAUHH-GOSISDBHSA-N	412.534	3.866	10	20	HHCD	
Cc1ccc(-n2ncc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2C)cc1	827850889	GGIOLIKXIQKVSD-UHFFFAOYSA-N	404.514	3.598	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3C)cc2)cc1	727352978	BLYQDCKLSPZDOB-UHFFFAOYSA-N	416.524	3.905	10	20	HHCD	
COc1cccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1O	729859105	GTWIIJXJGFWDNQ-UHFFFAOYSA-N	414.465	3.638	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(-c2cccc(Br)c2)c1	734402051	DSEDCMUIBQVYTK-UHFFFAOYSA-N	413.319	3.939	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Br)c2c(c1)OCCO2	734405132	DKOXTSINSAPTMZ-UHFFFAOYSA-N	405.292	3.525	10	20	HHCD	
CC(C)(C)OC(=O)NC1CCN(Cc2nc(-c3ccc(O)c(O)c3)cs2)CC1	731040727	NPLOWQDTPCEHSI-UHFFFAOYSA-N	405.520	3.710	10	20	HHCD	
COC(=O)C[C@@H](C)SCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	734366968	CXKKHCXLIDLVIB-CQSZACIVSA-N	403.500	3.733	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@@H](C)S(C)(=O)=O)sc(C)c1-c1ccc(C)cc1	733091218	XFIWMEPXXDSFMJ-CYBMUJFWSA-N	409.529	3.580	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C	735686243	BXIFQVXAXRMOQB-PZJWPPBQSA-N	403.567	3.506	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1	917651760	YKNWDZOHZVSSEJ-UHFFFAOYSA-N	415.559	3.628	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccc(F)c2)cs1)c1ccc2c(c1)OCCCO2	748860289	ZKORLELIIBFCLM-UHFFFAOYSA-N	406.460	3.911	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1Cl	918307399	VLFUYJRKZAKHRD-UHFFFAOYSA-N	403.910	3.792	10	20	HHCD	
CCOCc1cc(CNCCNC(=O)c2ccc(Br)cc2)ccc1OC	747854604	RDPPMNPQBHQCQD-UHFFFAOYSA-N	421.335	3.514	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N[C@@H](c3ccccc3)C(C)C)CC2)cc1	742948105	MLFRCKVWIJINER-HSZRJFAPSA-N	410.562	3.514	10	20	HHCD	
Cc1ccccc1CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742754257	OCVRSNYBGGFHLI-OAQYLSRUSA-N	411.546	3.986	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1	915615090	HDNOFJVXKFMABD-UHFFFAOYSA-N	409.530	3.760	10	20	HHCD	
O=C(Nc1cnn(CC(F)F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	746031690	FOJCAFJVXYBHHI-UHFFFAOYSA-N	415.391	3.540	10	20	HHCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1	748674263	SKSVMTYACQTOFE-UHFFFAOYSA-N	402.545	3.840	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Oc1cccc(F)c1	745880070	XYEBHOXXDMVYSL-UZLBHIALSA-N	402.466	3.689	10	20	HHCD	
Cc1cccn2cc(CCNC(=O)NCc3ccc(N4CCC(C)CC4)cc3)nc12	746759838	IZAZOFWVCLLTMX-UHFFFAOYSA-N	405.546	3.921	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	748932871	QECGNILZXZGISX-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
COc1ccc(C[C@@H]2CCCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)cc1	741797785	ALGZVRBLGZSASY-QFIPXVFZSA-N	409.574	3.674	10	20	HHCD	
C[C@H](OC(=O)[C@H](C)C(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	745620661	BKTJVEXKSAOAAW-QWRGUYRKSA-N	419.355	3.531	10	20	HHCD	
CCCn1ccc2cc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)ccc21	743956394	SQUVIOFCRQIXQR-UHFFFAOYSA-N	405.498	3.891	10	20	HHCD	
CC(C)C1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1	751070311	YSDZUYVRAFWEED-UHFFFAOYSA-N	408.545	3.763	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@H](C)c3ccccc3C)CC2)cc(OC)c1OC	759239930	RMIQIQNFRXVVGL-SFHVURJKSA-N	412.530	3.863	10	20	HHCD	
Cc1ccc(Cn2cccc(NC(=O)NCCCSc3nccs3)c2=O)cc1	754467559	ICBNXIDPVRYWGZ-UHFFFAOYSA-N	414.556	3.965	10	20	HHCD	
Cc1coc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c2)n1	759023460	XXQPLKZWRPLWNH-UHFFFAOYSA-N	404.470	3.505	10	20	HHCD	
COc1cc(CN2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c(O)c(C(C)(C)C)c1	758976175	ZQJPZBSGULOFMZ-KRWDZBQOSA-N	409.530	3.731	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)ccc1[N+](=O)[O-]	759160558	QDKQIWHTIKJAPJ-UHFFFAOYSA-N	411.486	3.898	10	20	HHCD	
C[C@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1cc2c(cc1O)CCCC2	756548685	BYXLUTPFLIYCER-MBSDFSHPSA-N	421.585	3.819	10	20	HHCD	
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](C)c1ccc(Br)cc1O	756597734	OPDSHFISABOTRW-XIKOKIGWSA-N	416.319	3.644	10	20	HHCD	
COCCc1noc(CN(C)C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	758847010	CCRHKWHDYLLTGU-UHFFFAOYSA-N	402.882	3.592	10	20	HHCD	
C[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(F)cc(F)c1O	756362165	JAEISQYTLPMPGU-CQSZACIVSA-N	410.486	3.696	10	20	HHCD	
COc1ccc(N2CCCN(Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)cc1	767892009	VFCUZQWXELBXIC-UHFFFAOYSA-N	400.429	3.736	10	20	HHCD	
CCc1noc2ncc(S(=O)(=O)N(Cc3ccccc3O)C3CCCC3)cc12	762535046	BDOOTJFRBHQBEN-UHFFFAOYSA-N	401.488	3.624	10	20	HHCD	
Cc1nnc(-c2ccccc2C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1	764923471	BQBMOMGJLRKRBY-HUUCEWRRSA-N	424.476	3.728	10	20	HHCD	
CC(C)Oc1ccc([C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	766041800	MTHAMPWFFKQISN-SBUREZEXSA-N	402.510	3.834	10	20	HHCD	
CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H](C)c1cc2ccccc2o1	769721123	YITKSNXTPJXMJT-ZDUSSCGKSA-N	402.472	3.733	10	20	HHCD	
COc1cccc([C@@H](C)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	771062556	BDFZCTGOYHUPTQ-DNVCBOLYSA-N	402.922	3.939	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)CC1	773245185	WJASQVGEKORQSX-UHFFFAOYSA-N	420.435	3.592	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)cc1	775255970	SOFGUZXNLILQKA-KBMIEXCESA-N	407.558	3.750	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cnn(-c2ccccc2)c1C(F)(F)F	771190721	KJYMJUXFIBSYTD-UHFFFAOYSA-N	406.364	3.667	10	20	HHCD	
CCN(C)C[C@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1	775725069	GWTGYJXCRGTSMW-LLVKDONJSA-N	406.162	3.691	10	20	HHCD	
C[C@@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC12CCC2	771337539	FLTDNLRYUYDUQL-CQSZACIVSA-N	420.556	3.907	10	20	HHCD	
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCOc2cc(N(C)C)ccc21	774754495	UNKZYWQIWCIGGH-GFCCVEGCSA-N	404.854	3.540	10	20	HHCD	
COc1cc(Br)cc(CN2CCSC[C@@H]2c2nccs2)c1O	770674816	MXRCOHDIDMNEEG-GFCCVEGCSA-N	401.351	3.910	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1	775370788	ROJCPEIWRLFSNZ-HNNXBMFYSA-N	406.486	3.753	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)c(C)n1-c1ccc(F)cc1	779692234	CAIPPFFTRLUFPB-LJQANCHMSA-N	412.465	3.953	10	20	HHCD	
CN(CC(=O)NCCCN1CCCCCC1=O)c1ccc(OCc2ccccc2)cc1	781960114	DIGQGYZBJIIQOC-UHFFFAOYSA-N	423.557	3.611	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc(Oc2ccccc2)cc1	788357910	RVSVHLMEOMHHDT-UHFFFAOYSA-N	417.509	3.786	10	20	HHCD	
COCCn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)c(C)n1	782676987	LKTMPSQLKQXUAL-UHFFFAOYSA-N	422.529	3.760	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c[nH]nc1-c1ccsc1	780935846	MJTYNHQUVVPIAZ-MRXNPFEDSA-N	416.934	3.892	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)cc1	786941197	UXWFJGZGUSLGBA-MOPGFXCFSA-N	409.530	3.586	10	20	HHCD	
CC(C)S(=O)(=O)c1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	781124645	JVSWJOBPMFUMAI-UHFFFAOYSA-N	414.571	3.668	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)C2CCCCC2)cc1	784060940	LHIACTAMRJRZQC-UHFFFAOYSA-N	422.485	3.530	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(C)n1-c1cccc(F)c1	796334905	YNCMSZIJIFBSAZ-DNVCBOLYSA-N	412.427	3.909	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c1	1317817659	YMUQYLVGSMAZSS-UHFFFAOYSA-N	418.906	3.615	10	20	HHCD	
O=C(CCC1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1	1800715557	TYEUBFNFPYQHBQ-BJWYYQGGSA-N	420.937	3.973	10	20	HHCD	
Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccccc1	15447756	UDAHALAMXVRIBK-UHFFFAOYSA-N	400.482	3.645	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1	3551937	KSIXTKARXCAEDM-UHFFFAOYSA-N	411.479	3.537	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCN(Cc2cccs2)CC1	64251361	ADAYUMOVIGTTMG-UHFFFAOYSA-N	400.592	3.868	10	20	HHCD	
CC(C)(C)c1cc(CNCC2CCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1	236778444	GCAQHXVFSHPROK-UHFFFAOYSA-N	410.624	3.748	10	20	HHCD	
O=S(=O)(c1ccccc1NCc1ccc(N2CCC(CO)CC2)cc1)C(F)F	301229083	GTRGNIJNCLDVIM-UHFFFAOYSA-N	410.486	3.504	10	20	HHCD	
Cc1ccc2c(C3=CCN(c4ccc(S(=O)(=O)NCC5CC5)cn4)CC3)c[nH]c2c1	462774018	ITXQWYSXLNSHTG-UHFFFAOYSA-N	422.554	3.853	10	20	HHCD	
Cc1c(CNC(=O)NC2CCN(C(=O)c3ccccc3)CC2)n(C)c2ccccc12	471522392	LAIASSWUPQAUCC-UHFFFAOYSA-N	404.514	3.591	10	20	HHCD	
CCc1cccc2c1OCC[C@H]2NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	726247448	UBAVRIGUTWTAEX-VGOFRKELSA-N	409.530	3.970	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)CC2)cc1	726562667	SGCDHMCWEOQLIO-UHFFFAOYSA-N	406.526	3.932	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CC(c2ccccc2)=NO1	726566786	FDDKMBDCJUEYCD-HXUWFJFHSA-N	415.440	3.566	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2F)C[C@H](C)O1	727466859	GGCPMIZMRRIWDV-LNLFQRSKSA-N	421.557	3.928	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1C(F)(F)F	728583392	WJSYPYNQVBKYCF-UHFFFAOYSA-N	402.413	3.923	10	20	HHCD	
Cc1cccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1[N+](=O)[O-]	728835508	CFWCPJUWLJURHA-UHFFFAOYSA-N	418.453	3.647	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCNC(=O)CC3CCCCC3)cc2)CC1	731049944	XADROJUUYSCBHH-UHFFFAOYSA-N	414.594	3.809	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCCCN1CCN(c2ccccc2)CC1	731282455	MRRFTKCZFBIEDY-UHFFFAOYSA-N	424.589	3.916	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1C	732563705	MLSZOJNXSAKALN-LJQANCHMSA-N	416.525	3.510	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cc1	732918845	MNPYNIYWFDGZTD-KRWDZBQOSA-N	409.484	3.932	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)C2CCC(OC)CC2)c([N+](=O)[O-])c1Br	734485035	RILVNKBWOBPLDW-UHFFFAOYSA-N	418.244	3.668	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCNC(=O)CC1CCCCC1	735887499	SZLSYXMFKWWQPE-UHFFFAOYSA-N	402.583	3.759	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](O)c1ccc(Cl)cc1Cl	740919345	NZRIAZFBBGXXRH-IBGZPJMESA-N	406.313	3.902	10	20	HHCD	
Fc1cc(F)c(NNC(=S)Nc2ccc3c(c2)OCCO3)c(Br)c1	741860812	IJRLKQCLLMJGHS-UHFFFAOYSA-N	416.247	3.812	10	20	HHCD	
Cn1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)n2)cn1	743050012	NEXROUWAZGCCOJ-UHFFFAOYSA-N	408.508	3.916	10	20	HHCD	
Cc1cnc([C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C2CC2)s1	743554601	IWGPLFJDBUZOIW-GOSISDBHSA-N	402.589	3.955	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	743706063	XWTFTURQTURGFX-HNNXBMFYSA-N	409.490	3.714	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N2CCCC2=O)cc1	745361620	BHONTWOCXDXPBP-UHFFFAOYSA-N	408.546	4.000	10	20	HHCD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	747378647	NWLRRFXBDVEUQD-HJPURHCSSA-N	418.484	3.928	10	20	HHCD	
COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749407117	SRVVHVVJINOKCL-VKAVYKQESA-N	412.505	3.601	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1F	751791304	XSFSKTBVQPPULR-SFHVURJKSA-N	424.520	3.718	10	20	HHCD	
CC[C@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@@H](CC)CN1C(C)=O	752967632	OOUNVDIVIMFDRW-VXKWHMMOSA-N	414.594	3.854	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(SC)cc3)CC2)cc1F	753860996	KYJBBXKPXWNRHY-OAHLLOKOSA-N	403.523	3.705	10	20	HHCD	
Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754549432	CSPGMPKPQJYPDT-UHFFFAOYSA-N	408.417	3.603	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c(C)o1	754692704	ACTQAPZHBLDYDZ-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
Cc1c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cccc1-c1ccccn1	755027419	RJSCWFKELVEQPG-UHFFFAOYSA-N	417.509	3.938	10	20	HHCD	
CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1ccc2c(c1)OCO2	756654429	TYQMYERYOKHRIS-MRXNPFEDSA-N	409.467	3.884	10	20	HHCD	
C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1O	757674985	IXZKYATXXTUQKD-JTQLQIEISA-N	419.286	3.732	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(c3ccc4c(c3)OCO4)C1=O)OCO2	758819404	KTDDMXIMJWZDFS-ZWSORDCHSA-N	415.448	3.558	10	20	HHCD	
CCSc1ccccc1C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759223676	UMNXVAJPEICIMH-UHFFFAOYSA-N	416.543	3.787	10	20	HHCD	
CCCC1(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCC1	759467402	XQSBJIRRNJMRJV-IRXDYDNUSA-N	420.525	3.569	10	20	HHCD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)NCCCSc1nccs1	759571971	XZWNBHLMIOXONJ-CQSZACIVSA-N	414.597	3.714	10	20	HHCD	
COc1cc(Cl)cc(CN2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c1O	761207249	ZHNNDEIQBQPXRD-INIZCTEOSA-N	414.811	3.746	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@H](c1cccs1)N1CCCC1	765445504	LIYUHHHLCZCFOW-OAHLLOKOSA-N	424.364	3.853	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nccn1-c1ccc(N(C)C)cc1	765625488	RNEOYNXLXNPWCM-UHFFFAOYSA-N	423.586	3.755	10	20	HHCD	
C[C@H](NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1	765851102	NKKYWPPXTUZCEA-RBUKOAKNSA-N	403.567	3.821	10	20	HHCD	
CN(c1ccc(CNC(=O)c2csc(S(C)(=O)=O)c2)cc1)C1CCCCC1	766372844	DTULCJZZRWKAAJ-UHFFFAOYSA-N	406.573	3.851	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1C	773011018	VJGQZHFSHWSXIY-QGZVFWFLSA-N	409.559	3.920	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C)c1ccc(N(C)C)cc1	773089753	VHWSPYAFSAEVCD-CQSZACIVSA-N	409.511	3.535	10	20	HHCD	
COc1cc(OC)cc(OCCCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773371362	SHXWROASLAOYSP-INIZCTEOSA-N	401.507	3.599	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCCc3ccc(Cl)cc3)cc2)CC1	774655298	UGXUXNDQCOVHOW-UHFFFAOYSA-N	413.949	3.551	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cccc(CN3CCSCC3)c2C)c1O	774936565	YRMKZOMIICHBGJ-UHFFFAOYSA-N	403.504	3.778	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1F	775049360	XGQXQXVQRZWRRB-UHFFFAOYSA-N	410.448	3.746	10	20	HHCD	
CC[C@@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1cc(Cl)ccc1O	775503232	DSAYNBKPDVKOOX-WIYYLYMNSA-N	415.965	3.984	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)c1O	779005705	YDAPUDOWBIGTOK-HUUCEWRRSA-N	420.351	3.934	10	20	HHCD	
CN(CCC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1)C(=O)OC(C)(C)C	779547453	LORJMTDRBBLLIL-SOFGYWHQSA-N	404.507	3.607	10	20	HHCD	
COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3cc(OC)ccc3O)c2C)c1	779612628	IDDMMBMNEUCTGL-QFIPXVFZSA-N	423.513	3.785	10	20	HHCD	
CCCCN(C)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1	781271863	SKLAFAYQLLTPTM-UHFFFAOYSA-N	408.546	3.844	10	20	HHCD	
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)OCC(=O)c1ccc(O)c(O)c1	784584782	ZGFCJVIDKLXXQS-UHFFFAOYSA-N	405.378	3.848	10	20	HHCD	
Cc1cc(Br)c2oc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc2c1	784643446	MZNOFYSOXHREOD-UHFFFAOYSA-N	405.200	3.955	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1	785427593	DFOBUPZAPHTQDJ-UHFFFAOYSA-N	401.510	3.713	10	20	HHCD	
Cc1cccc(OCCCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C	787398415	ILJGHLZFKQBSJD-UHFFFAOYSA-N	411.546	3.751	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2cc(F)ccc2OC)cc1	789060685	JFCUSWLKAZTTLE-INIZCTEOSA-N	415.509	3.516	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1	789836119	LWGFZFVNBUUISP-MRXNPFEDSA-N	411.502	3.867	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790555845	PWQJGLYXZAPIOY-OALUTQOASA-N	424.520	3.973	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(C)(C)S(=O)(=O)C3CC3)cc2Cl)C1	791064376	SHWMFEDJDMGABG-CQSZACIVSA-N	412.983	3.548	10	20	HHCD	
Cc1nc2c(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)cccc2o1	791578361	TXYYRJPXJMRQED-UHFFFAOYSA-N	414.465	3.880	10	20	HHCD	
CN(C)c1cccc(CCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	792237341	BIOXACVBSYBMNJ-FQEVSTJZSA-N	415.965	3.825	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CC=CCC3)cc2Cl)C1	793820402	SLMUDXXMJROYQI-IRXDYDNUSA-N	403.954	3.665	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1	799235540	BLCVUYJPBFSJHP-UHFFFAOYSA-N	414.462	3.746	10	20	HHCD	
CCOc1cccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1	800027265	JBTUCGKNHBLWRR-UHFFFAOYSA-N	417.512	3.968	10	20	HHCD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800696328	OVTALTOYWUEPJT-HTAPYJJXSA-N	422.013	3.986	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccsc3Br)CC2)cc1	801064490	JBNZXGQKDOIHSI-UHFFFAOYSA-N	424.364	3.941	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1	801854450	KRSXIQULZJIHIK-FCHUYYIVSA-N	421.545	3.757	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1	802609853	LDHXCKRGIPUAGR-UHFFFAOYSA-N	424.476	3.699	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1-c1noc(C)n1	802610573	GRXDZPWBDKKNQU-UHFFFAOYSA-N	408.458	3.518	10	20	HHCD	
CN(C)CCOc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	804945882	USZGBYVKATWGEU-UHFFFAOYSA-N	412.317	3.639	10	20	HHCD	
CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccco1	806439921	IFTHQHRECVDXCG-XLIONFOSSA-N	416.591	3.761	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1Cl	806847399	PELOUMURUALJIB-FQEVSTJZSA-N	401.938	3.878	10	20	HHCD	
COc1cc(O)c(CN(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1OC	809737884	OIOFYIWWZKKLHO-UHFFFAOYSA-N	412.452	3.992	10	20	HHCD	
COc1cccc(C2(CN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)CC2)c1	811841512	JPQYKPOXNBXAEQ-UHFFFAOYSA-N	400.862	3.550	10	20	HHCD	
CCc1nnc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1	811914172	CPSNPDOYQYRVKC-ZDUSSCGKSA-N	407.971	3.990	10	20	HHCD	
CN(C)c1ccc([C@@H](CNCc2cn(C)nc2C(F)F)NC(=O)OC(C)(C)C)cc1	812758002	ZSYBPECXFVRMRM-QGZVFWFLSA-N	423.508	3.779	10	20	HHCD	
CC(C)n1cnnc1CN(C)Cc1cc(Br)cc(Br)c1O	814178702	AGWQIFIPYKDFJJ-UHFFFAOYSA-N	418.133	3.722	10	20	HHCD	
Cc1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)ccc1N(C)C	815113403	AGVKJLTZSJHPNZ-HXUWFJFHSA-N	413.566	3.589	10	20	HHCD	
O=C([C@H]1CCCN(c2ccccc2)C1=O)N(Cc1ccco1)Cc1ccccc1O	815796637	FORJWBOCFPDNPX-OAQYLSRUSA-N	404.466	3.957	10	20	HHCD	
NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1	817918418	UOTSFUOBDDUZHI-UHFFFAOYSA-N	416.484	3.550	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N(C)C)cc1	839971324	VYCPZSTWLWCGPV-NRFANRHFSA-N	408.571	3.594	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C2CC2)cc1	914440273	VJEIBZPMZPTMNH-QFIPXVFZSA-N	407.514	3.675	10	20	HHCD	
CCCOc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc1	917912839	XWAIQJURLZKPIA-UHFFFAOYSA-N	406.573	3.507	10	20	HHCD	
COc1c(C)ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C	918309261	VMGPFTIDODFQSJ-UHFFFAOYSA-N	409.530	3.899	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(CS(=O)(=O)NC(C)C)cc1	1116588614	IDGNEKJAIJICSS-VQIMIIECSA-N	402.560	3.867	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(O)(Cc3ccccc3F)CC2)c1O	1256123602	OTWBFGZAKFCXMM-UHFFFAOYSA-N	424.310	3.872	10	20	HHCD	
CN1CCN(Cc2cccc(CNCc3ccc(N(C)C)cc3C(F)(F)F)c2)CC1	1256323819	GGQWNCOJCJFQTB-UHFFFAOYSA-N	420.523	3.809	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OCC4CC4)nc3)cc2F)C[C@H](C)O1	1338396235	PXGFKZMHJGPVEA-HOTGVXAUSA-N	413.493	3.553	10	20	HHCD	
O=C(c1ccccc1OC(F)F)N1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1341523600	XNYSBVICXWDOMM-UHFFFAOYSA-N	415.484	3.846	10	20	HHCD	
O=C(c1ccccc1Cl)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1	1845501848	KELICNAWPFRNOK-UHFFFAOYSA-N	421.280	3.535	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)/C=C/c1nc2ccccc2s1	7732712	ODZXNDDXCINBIQ-OUKQBFOZSA-N	409.511	3.577	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3cccnc3Cl)sc2n1	14152208	ZMUFFGJCOAKPJK-SNVBAGLBSA-N	404.879	3.728	10	20	HHCD	
CCOC(=O)c1ccc(NC(=S)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	18945357	RCMDWYBDFORVOE-UHFFFAOYSA-N	413.543	3.529	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	97576229	KPCWBAXITCJJEK-JTHBVZDNSA-N	420.509	3.864	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1	108105250	WZQRWECBTLQWEA-WIOPSUGQSA-N	410.558	3.662	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(-n2cc[nH]c2=S)cc1)c1ccc(N2CCOCC2)cc1	148493410	ANLDYHXSMWPDKS-MRXNPFEDSA-N	408.527	3.862	10	20	HHCD	
Cn1c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc2ccccc21	237861552	YBSDGTUNJIUYLL-UHFFFAOYSA-N	404.436	3.719	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(C)nc(-c4ccco4)nc3SC)CC2)cc1	248040264	ORLNBSFBIAYWIB-UHFFFAOYSA-N	424.526	3.738	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)c1	303565690	IOIVDMIJOLATEP-UHFFFAOYSA-N	422.934	3.659	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)c2)CC1	303829406	QPBWUAISZOPASO-UHFFFAOYSA-N	413.543	3.616	10	20	HHCD	
Cc1nn(-c2ccccc2)c2nc(C(=O)N3CCOc4cc(N(C)C)ccc43)ccc12	437012128	ZAKSWHSWRDWZED-UHFFFAOYSA-N	413.481	3.834	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(CCN(C)C)cc3)ccc21	467060209	XJCYFLYVHHHPBG-UHFFFAOYSA-N	407.558	3.939	10	20	HHCD	
CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NCc1c(C)c2ccccc2n1C	472113557	VDKWWGBVKUMWKE-QGZVFWFLSA-N	413.543	3.538	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)ccc21	544357582	TVDNYITVOSDFEJ-UHFFFAOYSA-N	403.486	3.952	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cc4c(cc3OC)C[C@@H](C)O4)SC2=S)cn1	726196939	HIHXRHAWSGRZET-SXGUVYOMSA-N	401.513	3.641	10	20	HHCD	
Cc1nc(CC(C)C)sc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	727917337	WDVNZZHFWFTNIE-UHFFFAOYSA-N	403.548	3.531	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2ccc(OC)c(OC)c2)cc1F	731361926	DVBFCHOPDWGTFF-UHFFFAOYSA-N	403.498	3.731	10	20	HHCD	
O=C(N[C@@H]1CCOc2ccc(F)cc21)N(Cc1ccccc1O)C[C@H]1CCCO1	731761180	WGATXOHOCBRJSU-IEBWSBKVSA-N	400.450	3.746	10	20	HHCD	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(N2CCCC2)cc1	731969248	SYDANIGEFDISHY-UHFFFAOYSA-N	411.430	3.803	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCCN1Cc1ccccc1	741145523	FLIWCEOFJFCHPA-HSZRJFAPSA-N	409.599	3.911	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)CCC[C@H]3C)cc2F)C[C@@H](C)O1	741796203	XASGQCTZKJUXCK-MKXGPGLRSA-N	405.558	3.566	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)sc2nc3n(c(=O)c12)CCC3	742475577	GFEOSEOHSYLAPI-UHFFFAOYSA-N	422.554	3.633	10	20	HHCD	
Cn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1	743715921	FMZJRORTXQBOQW-UHFFFAOYSA-N	406.442	3.510	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CNC(=O)CC1CCCCC1	743808848	HMXSRVLCCRSLJX-UHFFFAOYSA-N	411.340	3.590	10	20	HHCD	
Cc1cc(C)cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743975383	PVYACERJZNOQMN-MRXNPFEDSA-N	417.456	3.629	10	20	HHCD	
Cc1nnc([C@H](C)OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)o1	744494262	DKUPSDQWUQFXJV-YWEFTTLKSA-N	423.541	3.725	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1O	745489690	STYNBPKPHBHGSN-SFHVURJKSA-N	403.910	3.691	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[S@](=O)Cc1ccccc1	745829360	CVJSTBAWNFCEIW-NDEPHWFRSA-N	401.576	3.622	10	20	HHCD	
COc1cccc(CN(C[C@H]2CCCO2)C(=O)NCc2ccc3c(c2)CCCN3C)c1	746982604	CWHZRFDTFDKMST-HSZRJFAPSA-N	423.557	3.968	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(Br)cc3OC)CC2)cc1	748625425	FROCAEDIFZEUHO-UHFFFAOYSA-N	419.319	3.819	10	20	HHCD	
C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCCSc2nccs2)CC1	749202984	QQMWEJXIPNEVEJ-HNNXBMFYSA-N	405.593	3.545	10	20	HHCD	
CN(C)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1	752017402	YNDFVDBDFVDNDF-CQSZACIVSA-N	407.436	3.892	10	20	HHCD	
CO[C@@H](C)c1nc(CN2CCCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)cs1	752356402	XCYUXJMGQUFZHT-HNNXBMFYSA-N	421.538	3.606	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3CCSc4ccccc43)CC2)cc1F	753834167	RKFAIGXGPHNSTM-SFHVURJKSA-N	401.507	3.903	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](C)c3oc4ccccc4c3C)CC2)cc1	754628840	HBJHQMHRZUQALR-FPOVZHCZSA-N	423.557	3.584	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(N2CCCC2)c1	755120310	DFZIKCKIYPYVIB-IBGZPJMESA-N	408.546	3.684	10	20	HHCD	
C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1cc(Br)ccc1O	756585008	IVCRZSIKZXPDRV-SECBINFHSA-N	405.218	3.726	10	20	HHCD	
COc1ccc(C(=O)Nc2ccc(C(=O)NCc3cccc(OC)c3O)s2)cc1	758286190	HJLOLTDBENHLRY-UHFFFAOYSA-N	412.467	3.653	10	20	HHCD	
C[C@H](O)C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1	759564769	QQCHXUSXQDTPKT-GHTZIAJQSA-N	413.587	3.594	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	759578829	KEGPSEDUAWWIHE-SMYYYNMVSA-N	405.834	3.652	10	20	HHCD	
CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	759598393	WRYZYDXHBPSXEN-FROQITRMSA-N	409.394	3.630	10	20	HHCD	
C[C@H](N[C@H](C)c1cccc(O)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	759695580	SRIHARYXVQLJDP-CABCVRRESA-N	414.461	3.845	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(OCCF)c1	760093325	YOFCYOWIYDWNSL-UHFFFAOYSA-N	413.493	3.622	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](C)[S@@](=O)CC2)c(C)n1-c1cccc(Br)c1	760645139	QRORKRNUFUMDAW-PWECECGKSA-N	423.376	3.840	10	20	HHCD	
CC[C@@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(N(C)C)cc1	765239732	SNAWYAYRJXSLES-XMMPIXPASA-N	424.589	3.654	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(Cc2ccccc2)c1	765288210	WWJCUBQYSMOZRQ-SFHVURJKSA-N	408.521	3.882	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(Br)n2)cc1	765480745	VFICZXJTYVJOSP-QGZVFWFLSA-N	418.335	3.732	10	20	HHCD	
O=C(Nc1sccc1C(=O)NCCc1ccc(O)c(O)c1)c1ccc2c(c1)CCC2	767776715	WKODMDXUSNFJLV-UHFFFAOYSA-N	422.506	3.873	10	20	HHCD	
COc1cc(N[C@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)cc(OC)c1	768506568	VFJHSILQGOWQQN-SFHVURJKSA-N	412.534	3.556	10	20	HHCD	
COc1c(Br)cccc1CN(C)Cc1ccc(N2CCOCC2)cc1	769490590	YLPUMSPASCUKAS-UHFFFAOYSA-N	405.336	3.926	10	20	HHCD	
CC(C)(C)c1cc(CNc2cccc(C(=O)NCC(N)=O)c2)c(O)c(C(C)(C)C)c1	770521886	PQPYCSYRTJZVTI-UHFFFAOYSA-N	411.546	3.814	10	20	HHCD	
Cc1ccc(-n2cc(C)cn2)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1	772455361	XIYVRYZOSOMJQU-UHFFFAOYSA-N	405.502	3.647	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1	772476959	YFMQHCSIKIFQEJ-UHFFFAOYSA-N	419.529	3.542	10	20	HHCD	
COc1ccc(OC)c(CCCN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	773114252	HLQABJORJGFRDH-QGZVFWFLSA-N	402.510	3.963	10	20	HHCD	
C[C@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1cccc(S(N)(=O)=O)c1	774404555	MIWGYGGFBZZRPF-KRWDZBQOSA-N	401.576	3.954	10	20	HHCD	
COc1cc(Br)cc(CN[C@H](c2ccc(F)cc2)c2cnn(C)c2)c1O	775338513	CSAZBUSWCMFHCL-GOSISDBHSA-N	420.282	3.915	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1	775380235	WPJHAKZSYAEONH-MRXNPFEDSA-N	405.498	3.849	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccncn2)c(C)n1-c1ccc(Br)cc1	778452768	ZXLZAIHAFXJIAH-UHFFFAOYSA-N	414.259	3.686	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	782578604	LGLHUXWYRXOIHA-MOPGFXCFSA-N	414.550	3.698	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785422125	IVXWCLOWCASITA-ZDUSSCGKSA-N	408.329	3.895	10	20	HHCD	
CC[S@@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	787948337	CBVDTARXHYSOKL-MUUNZHRXSA-N	415.433	3.607	10	20	HHCD	
O=C(O)Cn1c(/C=C/c2cnn(Cc3ccccc3)c2Cl)nc2ccccc2c1=O	789129128	SIACRBVHQFBEAI-ZHACJKMWSA-N	420.856	3.550	10	20	HHCD	
Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	789335314	CAQILHDFRPYBHV-UHFFFAOYSA-N	419.529	3.711	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C(C)C)nc3)SC2=S)cn1	790107222	DKVPXEXSRRMBCZ-OQLLNIDSSA-N	400.529	3.736	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)c(O)c1	792776452	RTSHJGJUOZRXCI-LLVKDONJSA-N	409.280	3.732	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(N(C)C)cc1	793061182	GYDZYVWBJVHDFE-CXAGYDPISA-N	411.424	3.745	10	20	HHCD	
CCCCc1ccc(NC(=S)NNc2ccccc2S(=O)(=O)N(C)C)cc1	793324709	BNESGNUAUMANRY-UHFFFAOYSA-N	406.577	3.593	10	20	HHCD	
COc1c(C)cc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1Cl	796759405	HFZIWWCZHLKEDP-INIZCTEOSA-N	422.978	3.743	10	20	HHCD	
Cn1cc(N2CC[C@H](Nc3ccc(Cl)cc3C(=O)c3ccccc3F)C2=O)cn1	799968071	VUWQLMZPWNMEFZ-IBGZPJMESA-N	412.852	3.661	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1ccc(-n2cncn2)cc1)C1CC1	801992892	ILMAYOAJAMSMHH-UHFFFAOYSA-N	416.529	3.742	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1	802225174	QJVUDXZHMFCSAG-UHFFFAOYSA-N	411.550	3.780	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCc2c[nH]c3cccc(C)c23)cc1	804622162	UXZTYMSUDBFOIU-UHFFFAOYSA-N	420.557	3.640	10	20	HHCD	
COc1ccc([C@H](C)N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	805025021	ZPOVCLAYIJIFEC-IBGZPJMESA-N	423.557	3.767	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(CN2C(=O)CCC2=O)cc1	806189423	JYFMSQBLTYAYTI-UHFFFAOYSA-N	422.268	3.670	10	20	HHCD	
O=C(N[C@@H](CC1CC1)c1ccccc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	806292663	GGRJPVVWTRWZDG-YADHBBJMSA-N	422.525	3.557	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)N(C)C)c1	806308930	ZSLHZIXVSZNFNP-QGZVFWFLSA-N	412.317	3.810	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)cc1	808360997	BUDQSELCAZMZAM-IYARVYRRSA-N	418.582	3.883	10	20	HHCD	
O=C(Nc1cccc2c1COC2=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	808906101	KPZUTCZKMSXWBP-CYBMUJFWSA-N	417.412	3.749	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1	809193601	SEAQURNPWFLXHI-VXKWHMMOSA-N	407.558	3.629	10	20	HHCD	
CSCc1cccnc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	810632018	RMURGPWHBULXCV-KRWDZBQOSA-N	405.951	3.698	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1	811822672	LGVKTHYMSLUKGM-UHFFFAOYSA-N	416.524	3.943	10	20	HHCD	
O=C(NCc1nc(CNCc2cc(Cl)c(F)cc2O)cs1)c1ccccc1	816556004	WTNJYAOCAZIOIL-UHFFFAOYSA-N	405.882	3.861	10	20	HHCD	
CS(=O)(=O)c1ccc(CNCc2cc(Cl)c(F)cc2O)cc1C(F)(F)F	816593431	RRJOTRFBJSAWRB-UHFFFAOYSA-N	411.804	3.897	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c(O)c1O	818883479	WBDOTRPMXITZHK-UHFFFAOYSA-N	402.450	3.790	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1nc2cccnc2s1	819518885	JRLLHSKPOSWTBQ-UHFFFAOYSA-N	412.515	3.694	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)[nH]1	914967577	GYLAUZLWSLBNBL-CQSZACIVSA-N	416.433	3.591	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	915307975	FJURQGLIYCTPBM-UHFFFAOYSA-N	404.854	3.749	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCC(C(=O)N3CCCC3)CC2)c(C)n1-c1ccccc1	916220867	FOCGHCKGCAXLSX-UHFFFAOYSA-N	422.573	3.681	10	20	HHCD	
CC(C)CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CC1	917057711	KLNKFWRKUZTKMK-HDICACEKSA-N	405.558	3.566	10	20	HHCD	
CCC[C@H](C)N1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1=O	917646017	WFFPDTPEXGKHJC-AZUAARDMSA-N	411.546	3.912	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c2c(nc3ccccc13)CCC2	917707493	JXGWZXQTYOREAF-UHFFFAOYSA-N	405.473	3.629	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(C)N3CCCCC3)cc2F)C[C@@H](C)O1	918184342	CJQMHRGOCTVFCN-QZTJIDSGSA-N	420.573	3.503	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(OC)c(Br)c3)CC2)cc1	918369073	HEOBPRPDCOFCSD-UHFFFAOYSA-N	419.319	3.819	10	20	HHCD	
CN(c1ccc(CNc2ccc(S(=O)(=O)N(C)C)cn2)cc1)C1CCCCC1	1322065685	HYMJWBODQXMJRA-UHFFFAOYSA-N	402.564	3.713	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CC1(CC(=O)N2CCOCC2)CCCC1	1340011803	BWJGYALVCSWSOY-UHFFFAOYSA-N	416.562	3.720	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCn2c(C)csc2=O)c(C)n1-c1cccc(F)c1	22385014	SKCCWKJUNDXTGT-UHFFFAOYSA-N	416.474	3.581	10	20	HHCD	
CCCCN1C(=O)CC[C@H](C(=O)NCc2ccccc2O)[C@H]1c1ccccc1OC	109678746	ITUJNOOFNCPDQN-WMZHIEFXSA-N	410.514	3.797	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1	303689319	LMYCGJCCUGVHIA-UHFFFAOYSA-N	411.527	3.704	10	20	HHCD	
Cn1cc(/C=C\C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)cn1	96403117	VZPVZMCZDDFYRM-CVNCVQKXSA-N	401.466	3.951	10	20	HHCD	
CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C	557935311	NYNJQUOGIJMQNT-KRWDZBQOSA-N	421.541	3.905	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(CC(N)=O)[C@H](C)c3ccccc3)ccc21	467838017	DNZZVCWEMWJMRA-GOSISDBHSA-N	407.514	3.593	10	20	HHCD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1C1CC1	472781933	BLQWVFBBMULVRQ-CQSZACIVSA-N	407.518	3.787	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(C)c1OC	806549695	UUEKUWOAZFNPBW-YBEGLDIGSA-N	408.589	3.801	10	20	HHCD	
O=C(N[C@H](c1cccnc1)C1CC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	808295234	QUQVFUPUBJOKIZ-QFIPXVFZSA-N	407.514	3.716	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CSc3cccc[n+]3[O-])cc2Cl)C1	800571607	LFMLMLTVICTQPA-HNNXBMFYSA-N	405.951	3.618	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1	807098610	ZUAXQROOCYXZKL-HRAATJIYSA-N	409.530	3.585	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1scc(C)c1C(=O)OCC	802609498	BZWKRYRZMFDNJV-UHFFFAOYSA-N	418.515	3.706	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(C2CC2)n1CCc1ccccc1	802309264	PSUPZVWZZOGCHC-UHFFFAOYSA-N	417.557	3.871	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(COc3ccccc3OC)n2C)cc1	800727847	QWLRWQNGDHIGEJ-UHFFFAOYSA-N	409.534	3.885	10	20	HHCD	
CC(C)CC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C	803297609	BGGVFNGVBFFTEN-WIYYLYMNSA-N	417.594	3.668	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)n(C)c2ccccc12	472784683	FXXLXFVHHVXOSR-UHFFFAOYSA-N	421.888	3.581	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1O	811703964	NDOLIMAHBSOLEW-UHFFFAOYSA-N	400.840	3.680	10	20	HHCD	
CCCN(CC(=O)N1CCCN(Cc2ccccc2C)CC1)Cc1ccccc1O	727830646	FLOZWIBVDZKXFP-UHFFFAOYSA-N	409.574	3.647	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(I)cc2)c1	729036912	IRBDFKUKGXRRBD-JTQLQIEISA-N	412.227	3.888	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](C)c2cc3cccc(F)c3o2)n(C)c2ccccc12	570595914	YIOZVEHFYOXZPM-AWEZNQCLSA-N	407.445	3.866	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cc(F)ccc2C)nc1-c1ccccc1	727251038	PNZQNPJPAOKSPK-UHFFFAOYSA-N	420.487	3.774	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1	729036783	RISPMJRPSKRICV-AWEZNQCLSA-N	418.515	4.000	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)COc3ccc4ccc(=O)oc4c3)cc2)CC1	731015272	LAGIXRUVRNSZLF-UHFFFAOYSA-N	406.482	3.725	10	20	HHCD	
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731364842	PKNFRBFNQGRXLF-IEBWSBKVSA-N	420.573	3.898	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C	734667440	FGEXNFOQYIWTMX-LJQANCHMSA-N	408.506	3.703	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(Cl)cc3OC)CC2)cc1	730827617	GBULXFCAVGYHOY-UHFFFAOYSA-N	403.910	3.825	10	20	HHCD	
O=C(c1n[nH]c(C2CC2)c1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517489	CNUHBMYMIJDCSD-AWEZNQCLSA-N	420.307	3.577	10	20	HHCD	
Cc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C	734660346	PQIGDWMDAGGNCH-UYAOXDASSA-N	408.546	3.566	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)c1ccc(N2CCOCC2)cc1	747871509	IVQLQZWYNFTAFF-OAHLLOKOSA-N	408.589	3.922	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(Cl)s3)cc2F)C[C@@H](C)O1	917917348	FYBZWEFQHDFZQJ-TXEJJXNPSA-N	418.943	3.633	10	20	HHCD	
COC1(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CCOCC1	747549531	LQQWDGNQLIBWQJ-UHFFFAOYSA-N	421.335	3.782	10	20	HHCD	
COc1cccc(NC(=S)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	917581383	XLGTVDCOBNUEIM-GJZGRUSLSA-N	403.523	3.935	10	20	HHCD	
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	741097742	XOKGPHBCHKJDBA-UHFFFAOYSA-N	412.493	3.688	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCSC(F)(F)F	745646711	KXVFAVNWKDGYIP-UHFFFAOYSA-N	401.248	3.939	10	20	HHCD	
Cc1cnc([C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C2CC2)s1	743554602	IWGPLFJDBUZOIW-SFHVURJKSA-N	402.589	3.955	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2cccc(Cn3cccn3)c2)C2CC2)cc1	918132974	LLNSGIOGRBLOET-UHFFFAOYSA-N	403.530	3.872	10	20	HHCD	
CO[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	743564396	KNKXPCAADUTADL-IIBYNOLFSA-N	417.937	3.925	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3ncccc3Cl)cc2F)C[C@@H](C)O1	917204420	YEWIHSSAAMAYDY-OKILXGFUSA-N	423.941	3.896	10	20	HHCD	
CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	918006905	UWLZSACIKIFCME-FYYLOGMGSA-N	422.573	3.627	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(-n2cccn2)c1	742798427	NLIBRFQAYNQMCX-KRWDZBQOSA-N	412.440	3.873	10	20	HHCD	
C[C@@H]1CCC[C@](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)(N(C)C)C1	919658431	OSHRSBRYGOGBFA-XQFWAAQXSA-N	403.567	3.593	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2	745126848	QSLDMYHMBATBPP-OAHLLOKOSA-N	409.438	3.988	10	20	HHCD	
C[C@H](NC(=O)NCc1nc(C(F)(F)F)cs1)c1ccc(N2CCOCC2)cc1	740909440	CXWDOLFNHGDCIV-LBPRGKRZSA-N	414.453	3.559	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)nc2)NC(=O)OC(C)(C)C)cc1	742750678	PAWZYGLUQOVHBH-QGZVFWFLSA-N	418.925	3.797	10	20	HHCD	
COc1ccccc1C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C	747949475	QGQSUSPEGGQSJL-JOCHJYFZSA-N	411.546	3.598	10	20	HHCD	
Cc1cc(N2CCC(N[C@H](C)c3ccc(Br)cc3O)CC2)nc(C)n1	756632952	FYGYSFKRTAKLPU-CYBMUJFWSA-N	405.340	3.881	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	756079658	QWGJXQZSSOZLDN-CVDCTZTESA-N	418.541	3.530	10	20	HHCD	
C[C@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccc(N2CCOCC2)cc1	920880212	CXQGFUWRUUMNQD-KRWDZBQOSA-N	424.932	3.912	10	20	HHCD	
COc1ccc(-c2nc(COC(=O)/C=C\c3ccc(O)c(O)c3)cs2)c(OC)c1	759593046	IJNLPEMAZVORNA-YWEYNIOJSA-N	413.451	3.995	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Br)nc1	754544770	GSYYSWOKDIQKBH-UHFFFAOYSA-N	407.223	3.872	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c(OC[C@@H]2CCCO2)c1	757665971	JARMPILZNSMRFB-IBGZPJMESA-N	415.509	3.757	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3nc(O)n(C)c3c2)cc1	751595877	GCTMEKXVMMPHBE-UHFFFAOYSA-N	404.470	3.781	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](Cc1nc(C)no1)c1ccccc1	759867007	IKTTZEBNSJXNNL-OAQYLSRUSA-N	407.518	3.960	10	20	HHCD	
CC(C)Nc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1	752796446	HBXIKQLVORCRSD-UHFFFAOYSA-N	404.461	3.902	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1	756456015	LNTGVOKNSJXSER-DGCLKSJQSA-N	414.285	3.576	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(CC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	750242119	OLPVHZOZXHADNJ-UHFFFAOYSA-N	400.475	3.771	10	20	HHCD	
C[C@H](NC(=O)N1CC(Cc2ccc(F)c(F)c2)C1)c1ccc(N2CCOCC2)cc1	752915404	MKQZKXUTBAPQSM-INIZCTEOSA-N	415.484	3.747	10	20	HHCD	
Cc1ccc(-c2csc(NC(=O)COC(=O)/C=C\c3ccc(O)c(O)c3)n2)cc1	759588957	QJQFEACWXMNCEW-UITAMQMPSA-N	410.451	3.725	10	20	HHCD	
COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)c2cc(C)ccc2O)c1	756564447	UIPTZVJZFMFDKJ-AWEZNQCLSA-N	421.335	3.942	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccnc(Br)c3)cc2F)C[C@H](C)O1	758176457	FKVPESGINVRVDH-STQMWFEESA-N	422.298	3.527	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	761752604	ZBJFEHLSSUGRJU-UHFFFAOYSA-N	419.235	3.602	10	20	HHCD	
COc1ccc([C@H]2NC(=O)N(Cc3ccc(N4CCC(C)CC4)cc3)C2=O)cc1F	761273250	AKTUDGBYCJRMAK-OAQYLSRUSA-N	411.477	3.864	10	20	HHCD	
C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	767774884	RWKDATVUNVQDCO-LSTHTHJFSA-N	422.525	3.541	10	20	HHCD	
Cc1c(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cccc1C(F)(F)F	761140727	HGCFIPRFOXPCTI-UHFFFAOYSA-N	406.404	3.853	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nc(-c2cccnc2)nc2c1CCC2	768516399	BVTVJUHUKUFXPD-UHFFFAOYSA-N	401.514	3.500	10	20	HHCD	
Cc1sc(Br)nc1C(=O)NCc1ccc(N2CCSCC2)cc1	764357334	ZYTRMEADPWCYRT-UHFFFAOYSA-N	412.378	3.697	10	20	HHCD	
CC(C)(C)n1ncc2c(O)nc(NNC(=S)Nc3ccc4ccccc4c3)nc21	769795274	QZFOBEMNSACNDW-UHFFFAOYSA-N	407.503	3.754	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)COc3ccccc3Br)CC2)cc1	763555935	YRPWXSWCPGQSMP-UHFFFAOYSA-N	419.319	3.575	10	20	HHCD	
O=C(NCCCOCCc1ccccc1)NCc1cccc(Br)c1O	764766354	ZQBOIDJFJGROBR-UHFFFAOYSA-N	407.308	3.603	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cc1F	765769050	QGQRPFMTVLFKHK-KRWDZBQOSA-N	405.436	3.517	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(OCC(F)(F)C(F)F)nc2)c1O	775051005	LCDOVGXZSRKORG-UHFFFAOYSA-N	405.304	3.595	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c1	775370726	PSNKATDRVYHCMY-KBXCAEBGSA-N	409.442	3.615	10	20	HHCD	
CN(C)c1ccc([C@H](CNCc2n[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1	773409674	OOKRSYRJZJEEKD-FQEVSTJZSA-N	409.534	3.985	10	20	HHCD	
Cc1nccn1CCCNCc1cc(Br)cc(Br)c1O	776023921	LQVGVDAORMMQOB-UHFFFAOYSA-N	403.118	3.602	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F	776012867	KJLKXMRTPGBKOJ-OAHLLOKOSA-N	420.334	3.845	10	20	HHCD	
CCc1ccccc1-n1cnnc1SCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773017602	UPNLGQMNQBAQSS-INIZCTEOSA-N	409.559	3.865	10	20	HHCD	
CCn1cc(-c2nn(C)cc2C(=O)N(C)c2ccc(C)c(Br)c2)cn1	777793282	GAIXEYKXQFJOMU-UHFFFAOYSA-N	402.296	3.651	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)cc1F	775145373	YMQAYYMAKGNDGV-UHFFFAOYSA-N	413.827	3.858	10	20	HHCD	
CCCN1CCN(c2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2Cl)CC1	779500825	SEPJPTNIEQJMBM-YWEYNIOJSA-N	415.921	3.935	10	20	HHCD	
CN(c1ccc(CNC(=O)CCCNC(=O)c2cccnc2)cc1)C1CCCCC1	772065716	VDIMEXIITAWKIF-UHFFFAOYSA-N	408.546	3.677	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(N(C)C)cc1	776244795	FXIPGTCWDRYFFU-ZDUSSCGKSA-N	421.444	3.985	10	20	HHCD	
CCNc1nc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1	771056624	FNAMQFSESOKKCD-OAHLLOKOSA-N	408.955	3.637	10	20	HHCD	
CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	780397775	QPBCOXMAYHPBHW-HOTGVXAUSA-N	413.493	3.636	10	20	HHCD	
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	786434077	IIWRCZOGOKOQOQ-YSGRDPCXSA-N	420.469	3.841	10	20	HHCD	
C[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1cccc(C(=O)c2ccccc2)c1	784426897	JJVLSVYZBNDPHB-HNNXBMFYSA-N	404.418	3.858	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(C(C)(F)F)c3)CC2)cc1	782108365	QSYPYSHQTGVYKS-UHFFFAOYSA-N	417.456	3.531	10	20	HHCD	
O=C(COC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1ccc(O)c(O)c1	783540151	TWBDFZSNFPCVDZ-NRFANRHFSA-N	414.360	3.922	10	20	HHCD	
O=C1NCCN(Cc2cccc(Cl)c2O)[C@H]1c1ccc(OC(F)(F)F)cc1	792191349	YXEVRMXSZJUUIN-HNNXBMFYSA-N	400.784	3.617	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)cn1	790106493	LFVYSKUPYAMWJK-BOPFTXTBSA-N	415.540	3.579	10	20	HHCD	
Cc1noc(C)c1C(C)(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	797745058	VEBZRZNPTRFZEW-QGZVFWFLSA-N	405.926	3.709	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)c1ccc(N(C)C)cc1	792274883	ZTRHICSBWFSMQB-NSHDSACASA-N	424.726	3.984	10	20	HHCD	
COc1ccccc1C1(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1	793865536	USBKZTREUZLGTR-GOSISDBHSA-N	423.557	3.567	10	20	HHCD	
C[C@H](C(=O)NCc1ccco1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	1324184299	PFWWMQNOLGSQMA-MRXNPFEDSA-N	413.518	3.762	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)C2(F)CCC2)C3)cc1	1845399573	MTXJFMOZGLRXPP-UHFFFAOYSA-N	409.505	3.803	10	20	HHCD	
O=C1/C(=C/c2cccc(NC(=O)C(F)(F)F)c2)SC(=S)N1c1cccnc1	11294265	RZCNVSCSAAPHPS-JYRVWZFOSA-N	409.414	3.988	10	20	HHCD	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-]	15360386	QAUWUEHEUQONER-UHFFFAOYSA-N	403.504	3.714	10	20	HHCD	
Fc1ccc(F)c(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1	139816342	SPGAWXIMXNNXGQ-UHFFFAOYSA-N	413.447	3.510	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1	139932121	IZKBORDFBNOVBI-GCJKJVERSA-N	413.518	3.568	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1nc2c(s1)CCCC2	195651457	PEPZSEUAZRFIAJ-UHFFFAOYSA-N	400.548	3.552	10	20	HHCD	
Cc1cc(Cl)ccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)NC1=S	212778562	SAKCDXMNQIBMSN-AQTBWJFISA-N	413.930	3.747	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3cccc(-c4nc(C)cs4)c3)CC2)cc1	303098277	BEFWTOPZHNPVSC-UHFFFAOYSA-N	423.538	3.855	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C[C@@H](C)c3cccc(F)c3)CC2)cc1	303602315	AOPNTJXMQQRXHM-LJQANCHMSA-N	413.537	3.656	10	20	HHCD	
Cc1c(CNC(=O)c2nnn(-c3cccc4ncccc34)c2C)n(C)c2ccccc12	471218554	CUUVFYSEUJIQID-UHFFFAOYSA-N	410.481	3.854	10	20	HHCD	
COc1cc(Br)ccc1CCC(=O)N1CCOc2cc(N(C)C)ccc21	542925995	KMNSGEDYJAFETF-UHFFFAOYSA-N	419.319	3.882	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3nnn(Cc4ccncc4)c3C)ccc21	564392394	PBEFOXCTZLJDQH-UHFFFAOYSA-N	418.501	3.500	10	20	HHCD	
COCCOc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	726094448	DZMVZMQTOPINKL-UHFFFAOYSA-N	410.470	3.922	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1SC	726627617	OZQXAGZBSAWPDA-YBEGLDIGSA-N	416.549	3.922	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)CCCOc3ccc(F)cc3)CC2)cc1	726712776	CKYSMHNBYJEYFY-UHFFFAOYSA-N	415.509	3.914	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1	727242755	JJSZMCSADKUQCW-UHFFFAOYSA-N	424.448	3.817	10	20	HHCD	
O=C(c1cccc(Br)c1O)N(Cc1ccccc1O)C[C@@H]1CCCO1	735519085	OFBOTNDJHHWJRY-AWEZNQCLSA-N	406.276	3.682	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1C(C)(C)C	742799142	HHBYKBDTUCRRSM-HNNXBMFYSA-N	406.477	3.947	10	20	HHCD	
CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	745784210	PAFDXSKNBLBVEB-HSZRJFAPSA-N	416.610	3.708	10	20	HHCD	
Cc1ncsc1CN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903743	NBUKELQNPWZXJF-CQSZACIVSA-N	410.490	3.863	10	20	HHCD	
COC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C)o1	746769172	DYUBSLSMMRRLEW-CRAIPNDOSA-N	423.460	3.845	10	20	HHCD	
COCCN(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCCC1	749579560	JLRNYJUMWPWBKK-INIZCTEOSA-N	411.493	3.857	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2	749581620	ACYHNPNFIARWSL-JPYJTQIMSA-N	407.558	3.981	10	20	HHCD	
CN(c1ccc(CNC(=O)COCCNC(=O)c2ccccc2)cc1)C1CCCCC1	750808085	SVKJBKCVFOWQDF-UHFFFAOYSA-N	423.557	3.518	10	20	HHCD	
O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(N2CCCCC2)cc1	756377979	CJFVIIMQIWBUMV-JOCHJYFZSA-N	422.485	3.852	10	20	HHCD	
C[C@@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)cc(F)c1O	756602790	FNYNCORYJOCQLS-VLIAUNLRSA-N	423.326	3.581	10	20	HHCD	
Cc1noc(CCCN[C@@H](C)c2cc(Br)cc(Br)c2O)n1	756688036	XQTWYEGTAQZKJQ-QMMMGPOBSA-N	419.117	3.892	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)c(Br)c1	757528963	JUFMAGLEHUJFGL-WQLSENKSSA-N	422.076	3.673	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)CCC1CCOCC1	757842643	ZQMKQJFHIPAPLA-INIZCTEOSA-N	420.509	3.538	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(Br)c1F)c1ccc(N2CCOCC2)cc1	757876126	FFJDRIPZIYXQFR-CYBMUJFWSA-N	407.283	3.916	10	20	HHCD	
CC[C@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O	761091874	PELQQGHVEAOMGC-HXUWFJFHSA-N	411.477	3.578	10	20	HHCD	
CN1C(=O)N(Cc2ccc(N3CCCC3)cc2)C(=O)[C@@H]1c1cc(F)c(F)c(F)c1	761093914	VZJTWVVVBVKKSS-IBGZPJMESA-N	403.404	3.839	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(OC)ccc1[N+](=O)[O-]	761753294	NPFDOTQKCNMVPH-UHFFFAOYSA-N	409.236	3.734	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1Cn1cccn1	761984078	VZMAFMRKARDXGS-FQEVSTJZSA-N	424.932	3.685	10	20	HHCD	
COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)n(-c2ccccn2)c1C	765284285	LPHFQSHLJIFCDF-FQEVSTJZSA-N	405.498	3.783	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OCCN(C)C)cc1	765286232	JKQWVZDUJCYTHT-SFHVURJKSA-N	415.553	3.578	10	20	HHCD	
CCCCS(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1	765424474	SGNCHYNJUBCGQD-UHFFFAOYSA-N	401.528	3.775	10	20	HHCD	
O=C(Nc1sccc1C(=O)NCc1cccc(Br)c1O)c1ccco1	765750269	FTHLYRYSENSWAM-UHFFFAOYSA-N	421.272	3.992	10	20	HHCD	
Cc1nn2c(CNC3CCN(c4ccc(OC(F)F)cc4)CC3)c(C)nc2s1	766468866	VLDJEQRZABARIV-UHFFFAOYSA-N	407.490	3.768	10	20	HHCD	
Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	766879156	LAXSUEDQFVFMJM-QFIPXVFZSA-N	412.509	3.537	10	20	HHCD	
Cc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1[N+](=O)[O-]	768917401	YMSSWLHLEPEGTG-MRXNPFEDSA-N	403.866	3.657	10	20	HHCD	
C[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(Cl)c(Cl)cc1O	774226787	RWUHXYPBCZXYCS-MRVPVSSYSA-N	421.268	3.664	10	20	HHCD	
CC(C)Oc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccn1	778579194	CVOIUGAHVQKFAD-UHFFFAOYSA-N	424.545	3.893	10	20	HHCD	
CCOC(=O)[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCCOC1	782174159	GICWZRUOSGTJHU-VGSWGCGISA-N	424.501	3.988	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCCCn1ccnc1	782677584	VYIZBVCQRZLYDE-QINSGFPZSA-N	421.569	3.560	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Br)c1	783317499	VQOJXGXRGJMYGR-UHFFFAOYSA-N	418.335	3.891	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@@H](Oc2cccc(F)c2)C1)c1ccc(N2CCOCC2)cc1	784248701	WRZCXTKIIRPPCL-VGOFRKELSA-N	413.493	3.586	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccc(C(F)(F)F)n2)C2CCCCC2)cc1	786427735	UNWCKZOAKHGWJA-UHFFFAOYSA-N	406.408	3.987	10	20	HHCD	
CC(C)Oc1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	786821480	WENWPRIKXMCKBJ-UHFFFAOYSA-N	423.557	3.739	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2C)cc1	787593933	XAPOFGLSBZOOJO-UHFFFAOYSA-N	423.473	3.685	10	20	HHCD	
Cc1ccc(CN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc1	788765489	JAWVIALOPRBUKV-UHFFFAOYSA-N	404.461	3.802	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCSC(C)(C)CC3)cc2F)C[C@H](C)O1	788885692	ZNSJINGIIYDFSK-HOTGVXAUSA-N	409.571	3.866	10	20	HHCD	
COc1ccccc1[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788935779	FGKHBYCXNMCNKF-QFIPXVFZSA-N	421.541	3.665	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(COc4ccc(Cl)nc4)CC3)cc2)CC1	789758296	QHHFRHAAWJKHFB-UHFFFAOYSA-N	414.981	3.778	10	20	HHCD	
CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccc(O)c2O)CC1	790649286	CJHBWBFDHMBPMM-KRWDZBQOSA-N	419.319	3.769	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(F)c(O)c(F)c1	791246609	OZVLFKJDVNZDCE-UHFFFAOYSA-N	406.429	3.673	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nc(-c2ccc(Cl)cc2)no1	792178833	GIQONTLUAFKXAA-INIZCTEOSA-N	411.937	3.993	10	20	HHCD	
COC(=O)c1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C	792178993	MIQFKECRCNEUBX-GUYCJALGSA-N	416.547	3.912	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCCC(=O)c3cccc(OC)c3)CC2)cc1	794270002	CALVDMDZTVKWFH-UHFFFAOYSA-N	410.514	3.842	10	20	HHCD	
C[C@@H]1C[C@H](NCCCNS(=O)(=O)c2ccccc2Cl)c2c(O)ccc(F)c21	798934597	DGRUUFGTLBXOLI-DOMZBBRYSA-N	412.914	3.691	10	20	HHCD	
COCCN(CC(F)F)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799995430	JVLZLSACZKXPKG-AWEZNQCLSA-N	403.901	3.999	10	20	HHCD	
CC(=O)N(C)C1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	800719548	KZDJLGPYUMHDPU-INIZCTEOSA-N	420.985	3.729	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1nncn1C	805450155	DGYXWLLZFCSQHP-DNVCBOLYSA-N	418.973	3.901	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCC1(CC)CCCC1	807913236	YNBILCWKEVBRCR-UHFFFAOYSA-N	411.340	3.590	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(F)(F)[C@@H](CO)C3)c2C)cc1	812860309	YBTCGLBYSOKMAR-QGZVFWFLSA-N	406.473	3.625	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCN(c3ccncc3)CC2)c(C)n1-c1ccccc1	813467044	AMYSFVCRGANMFE-UHFFFAOYSA-N	403.530	3.563	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc2ccccc2cc1Br	813513395	MEXMVNXCZKQXHA-LLVKDONJSA-N	401.260	3.770	10	20	HHCD	
CCNC(=O)NC(=O)[C@@H](C)SC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814771780	FORPJCANDSMQBG-WWNSAXIVSA-N	419.553	3.839	10	20	HHCD	
CC(C)OCc1ccccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	913465431	YXLDLPUEWBGKST-UHFFFAOYSA-N	411.546	3.790	10	20	HHCD	
Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	914612578	AMGUWYWMTISZBN-QHCPKHFHSA-N	418.541	3.601	10	20	HHCD	
CSCC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1nnc2ccccn12	914849079	BRCBJKDBUUZMJD-GOSISDBHSA-N	420.542	3.756	10	20	HHCD	
O=C(NC[C@H](CO)Cc1ccco1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915758697	LGWZRURFKYWSNU-MRXNPFEDSA-N	406.442	3.601	10	20	HHCD	
CCN(CC)Cc1cccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	916400727	LDISODVCRBWHRH-UHFFFAOYSA-N	424.589	3.707	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(OC(F)F)cc1	916669207	WSVHCXNNBGQLEE-UHFFFAOYSA-N	405.445	3.818	10	20	HHCD	
COC[C@H](C)n1c(C)cc(C(=O)CN2CCCN(c3ccc(OC)cc3)CC2)c1C	917210454	PNXVTNLVKLZWJF-IBGZPJMESA-N	413.562	3.716	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4ccccc4c(Cl)n3)cc2)C1	917834878	SHGXOVHTNZRXEO-QGZVFWFLSA-N	422.916	3.520	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CN2CCCC2=O)c(C)n1-c1ccc(Br)cc1	918701378	SBCLXWKHXRSZAU-ZDUSSCGKSA-N	418.335	3.597	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCN3CCc4sccc4C3)c2C)cc1	919700179	KWUHCWSCWYNUML-UHFFFAOYSA-N	409.555	3.952	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1	1317992567	CGOKZJPPTOFTPH-ROUUACIJSA-N	403.954	3.977	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCOc3ccccc3)cc2F)C[C@H](C)O1	108443367	ZLZUSUWQBMIRKV-ROUUACIJSA-N	415.509	3.708	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCOc2ccc(F)cc2)cc1	110076419	NBACRLPWDMVDGY-QFIPXVFZSA-N	400.494	3.868	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1/C=C1\CCn2c1nc1cc(C(=O)O)ccc1c2=O	20987707	SNKCNBJIOAOYFA-FOWTUZBSSA-N	412.449	3.842	10	20	HHCD	
O=C(Cc1ccccc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1	97576304	HDWDXEAJJXXEPX-KRWDZBQOSA-N	404.304	3.905	10	20	HHCD	
FC(F)(F)c1ccc(CN2CC[C@@H](NCc3ccc(N4CCOCC4)cc3)C2)cc1	237718381	SIACIWRWAOJNNK-OAQYLSRUSA-N	419.491	3.906	10	20	HHCD	
Cc1ccc2ncc(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)c(=O)n2c1	800048595	GHRWISAIGISLIN-HNNXBMFYSA-N	424.932	3.823	10	20	HHCD	
CCC(=O)N1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	800719103	GXGOQIMXJCFHNG-QGZVFWFLSA-N	420.985	3.730	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc(N(C)C)cc1	807677354	NWPJAGOUOXIZFD-GOSISDBHSA-N	405.498	3.752	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1nncn1C	805450154	DGYXWLLZFCSQHP-BEFAXECRSA-N	418.973	3.901	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1Cc2cccc(Cl)c2C1	806457290	IYXNDFSLHUPBRT-UHFFFAOYSA-N	403.885	3.666	10	20	HHCD	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NCc1cc(Cl)cc(Cl)c1O	807839575	PCJBJBHVQUTQKA-UHFFFAOYSA-N	407.301	3.765	10	20	HHCD	
C[C@@H]1CSC[C@H]1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	804503323	CFNHJYMVJYSAMO-NIAXFYKXSA-N	412.627	3.597	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCC2(c3ccc(F)cc3)CCC2)C2CC2)cc1	804066954	DKBZXOKKFRIBMX-UHFFFAOYSA-N	423.532	3.621	10	20	HHCD	
CC[C@H](N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1ccc(N(C)C)cc1	806169966	NCUZMBJZQWOAQD-VXKWHMMOSA-N	411.546	3.612	10	20	HHCD	
CC1CCN(c2ccc(CN[C@@H]3CCCc4ccc(S(N)(=O)=O)cc43)cc2)CC1	810217047	VHFGTIRGGXZFDO-HSZRJFAPSA-N	413.587	3.738	10	20	HHCD	
COc1ccc([C@H](O)C2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1	812903630	VPGQBQAXGDNMKB-SBUREZEXSA-N	411.546	3.977	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(-c4ccccn4)cc3)CC2)cc1	811789658	GORBWQNIKCYEME-UHFFFAOYSA-N	402.498	3.518	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3sc(N4CCCC4)nc3Cl)CC2)cc1	726628294	XDQPSNNZBANGHK-UHFFFAOYSA-N	420.966	3.804	10	20	HHCD	
Cc1ccc(F)c(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726601352	QCEZAHRAZYHJJI-UHFFFAOYSA-N	414.449	3.683	10	20	HHCD	
C[C@H]1CN(C(C)(C)CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1	725844215	LBRFMZPKDHGXHH-ROUUACIJSA-N	404.555	3.563	10	20	HHCD	
CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1F	726503837	DBKXESBLNZRKKO-UHFFFAOYSA-N	404.353	3.786	10	20	HHCD	
CCOC(=O)Cn1ccc2cc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)ccc21	733631557	JJHCITJKNXXPQM-AWEZNQCLSA-N	411.458	3.801	10	20	HHCD	
COc1ccc(CN2CC[C@H](NC(=O)c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	734465040	UYHTZQYZUMVUMN-QHCPKHFHSA-N	417.509	3.634	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@@H]2OCCc3ccccc32)cc1	734432716	QAUWLTPBUDIQMO-UPVQGACJSA-N	408.542	3.964	10	20	HHCD	
CN(C)C(=O)[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	734849883	ORVVGCSNEJQACL-FQEVSTJZSA-N	403.473	3.676	10	20	HHCD	
COc1ccc(OC)c(-c2csc(NC(=O)CN(C)Cc3ccccc3O)n2)c1	731843854	ZADXAUAILGTOQJ-UHFFFAOYSA-N	413.499	3.603	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1	734018454	SIYAWFUIIPOQSR-HUUCEWRRSA-N	413.474	3.721	10	20	HHCD	
CCCC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	918445623	GRZHUVRRDJJLNM-UHFFFAOYSA-N	421.501	3.948	10	20	HHCD	
COc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	918221299	UQXROMWQUSWDLZ-MRXNPFEDSA-N	415.509	3.698	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc2c(c1)CCC2	744843295	FVEDJWGCUXQIGL-VCHYOVAHSA-N	412.536	3.869	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1cccc(Br)c1	917841074	GQQAYMZCZKPJOD-UHFFFAOYSA-N	404.352	3.606	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1C	917758277	NHFIHXKVLMMZJR-UHFFFAOYSA-N	422.450	3.576	10	20	HHCD	
CN(c1ccc(CNC(=O)C2CCN(c3cnccn3)CC2)cc1)C1CCCCC1	742822616	NOEYATWHGYMAFT-UHFFFAOYSA-N	407.562	3.778	10	20	HHCD	
CNC(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	745367525	DTSLYOMOSMSZOH-UHFFFAOYSA-N	404.466	3.802	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCCNc2ccccn2)cc1	919655255	QCFXGZUUHWKVJK-UHFFFAOYSA-N	407.518	3.955	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2cccc(N3CCCC3=O)c2)c(C)n1-c1ccccn1	914907805	WGBWGRDZBZUYOU-UHFFFAOYSA-N	417.465	3.656	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(Cl)c4ncccc34)ccc21	747018271	YSQIGVKLQYQORL-UHFFFAOYSA-N	408.889	3.526	10	20	HHCD	
C[C@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	747831746	SDOPZNKZJMRUIS-HNNXBMFYSA-N	408.420	3.842	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1	748055310	ZVBKGWLLXPIVLP-UHFFFAOYSA-N	409.939	3.623	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1	742916764	LXRKNMJQXDMAMC-UHFFFAOYSA-N	408.329	3.554	10	20	HHCD	
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NCc1ccc(N(C)C)c(F)c1	746978607	WCJPZTDFHCITPT-LJQANCHMSA-N	415.509	3.791	10	20	HHCD	
C[C@@H](NCC1CCN(CCN(C)C)CC1)c1cc(Br)cc(Cl)c1O	756532006	CWYGDZWEAWHVOB-CYBMUJFWSA-N	418.807	3.732	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccccc1Br)c1cc(Cl)ccc1O	756761211	SBSLOEFHSFFAIH-YPMHNXCESA-N	400.700	3.899	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)cc1	920872592	UTATUEFKGKPCIW-RDPSFJRHSA-N	422.573	3.721	10	20	HHCD	
CC1CCN([C@H](CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(C)C)CC1	920921229	AOGUFRRQDIJHDK-NZQKXSOJSA-N	416.610	3.640	10	20	HHCD	
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c12	753639770	BWVIBRQXDRRLBZ-CQSZACIVSA-N	416.481	3.716	10	20	HHCD	
CCc1nnc(O)c(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1CC	754637913	FGCPWXCVITZFJG-UHFFFAOYSA-N	411.550	3.543	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O	756527450	XXFVDEPVNILWNJ-GFCCVEGCSA-N	422.279	3.534	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3nc(-c4cccc(Cl)c4)no3)cc2)C1	750604510	AIUZUUMNMGZGBA-INIZCTEOSA-N	411.893	3.704	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1	753642408	CTPRCTMJGBMJLX-LLVKDONJSA-N	406.269	3.951	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCNC(=O)C1CCCC1	758178296	YJXWQEBYPFMMSA-UHFFFAOYSA-N	401.532	3.740	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccnc(Oc3ccccc3)c2)cc1	754930482	RXHHPINMAWXNQB-UHFFFAOYSA-N	418.497	3.975	10	20	HHCD	
COc1cccc(O)c1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	768180138	HRILAHOEAJDOKY-UHFFFAOYSA-N	411.380	3.650	10	20	HHCD	
C[C@@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(N2CCOCC2)c(F)c1	766004579	FQAHIPLDPXUJKL-VFNWGFHPSA-N	407.480	3.894	10	20	HHCD	
COc1cccc2c1OC[C@H](N[C@H](C)c1ccc(N3CCOCC3)cc1Cl)C2	765707983	SFMKRNTULONVGQ-NVXWUHKLSA-N	402.922	3.840	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3nc(C)no3)c2C)c1	769965455	GBYJLZAJBXORLK-UHFFFAOYSA-N	413.499	3.866	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@@H]3c3nncn3C)c2C)c1	767767576	CHLPBHUPSHSIOS-HXUWFJFHSA-N	409.559	3.964	10	20	HHCD	
CC(C)(CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccc2c(c1)OCO2	761199990	LLDDIKCLXGZQIM-UHFFFAOYSA-N	416.861	3.516	10	20	HHCD	
C[C@H](NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(N2CCOCC2)cc1Cl	773067802	HIPGBLVVHRFIMF-JJEOQYAHSA-N	422.013	3.595	10	20	HHCD	
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773746038	TXNGCQOQAMTUEK-OAHLLOKOSA-N	409.438	3.752	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](CO)c3ccc(Br)cc3)CC2)cc1	773139884	UADZECLDXWJGNC-FQEVSTJZSA-N	405.336	3.750	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN[C@H](C)c3ccccc3C(F)(F)F)CC2)cc1	775459360	NJDCINFQUFZOEI-MRXNPFEDSA-N	421.463	3.713	10	20	HHCD	
COc1ccc(N2CCCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC2)cc1	777954344	UUQRPJBVSQIZNP-UHFFFAOYSA-N	407.474	3.637	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(N(C)C)cc1	773613308	PSPCWCATELBBSR-IFXJQAMLSA-N	400.910	3.572	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(OC)ccc3Br)c2)CC1	770147074	KYDUXTPGDAGCJV-UHFFFAOYSA-N	418.335	3.852	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1F	774918310	MURYPFRXCYKESJ-CQSZACIVSA-N	414.408	3.670	10	20	HHCD	
C[C@H](NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1cc(Cl)ccc1O	788611064	FDTOBXKRSGKBFC-RDJZCZTQSA-N	420.912	3.553	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)NCCc2ccc(F)cc2)cc1	789173892	MJGRLKIDRNJFGD-QFIPXVFZSA-N	415.578	3.990	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1F	780429011	IICGWHMAUKHQQH-HNAYVOBHSA-N	419.463	3.955	10	20	HHCD	
Cc1cc(-c2ncccc2NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cs1	782579844	UDLIFFHEKBTGDD-UHFFFAOYSA-N	408.527	3.748	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c2)CC1	781268020	CXPXJGYQZNEYKO-UHFFFAOYSA-N	424.501	3.813	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3c[nH]cc3-c3ccc(C)s3)cc2)CC1	787319123	KPMSTELMIUUGML-UHFFFAOYSA-N	422.554	3.650	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnc(Cl)c(Br)c1	797645973	NGJSDISWISBFDK-MRVPVSSYSA-N	400.660	3.661	10	20	HHCD	
CCNC(=O)C1(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCC1	799981932	OKVWVOMQZIIDEA-MRXNPFEDSA-N	420.985	3.682	10	20	HHCD	
COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(OC)cc2O)cc1	794382767	HNEOYYSATHCRMK-UHFFFAOYSA-N	406.438	3.592	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccccc2-c2c(F)cccc2F)c(O)c1	797388285	WSSCFLCSOGLSNZ-UHFFFAOYSA-N	412.392	3.601	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NCc3cc4c(cc3O)OCO4)cc2C1	798277013	LWNKKXYTSCHEPY-HNNXBMFYSA-N	413.474	3.510	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3nc(C4CC4)no3)cc2Cl)C1	799872656	WVKRMUMIIXQPAF-CYBMUJFWSA-N	403.914	3.836	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCCN4CCC[C@H]4C3)cc2Cl)C1	1256619230	AMGVKFIQKUZGCT-HKUYNNGSSA-N	404.986	3.956	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cnc(-c2ccc3c(c2)OCO3)s1	1261139962	DATPZSJSRQZJRX-UHFFFAOYSA-N	400.803	3.981	10	20	HHCD	
CCOCC(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1	1787738883	NWBWKMHEEPGIKE-UHFFFAOYSA-N	418.877	3.535	10	20	HHCD	
COc1ccc(-n2ccnc2SCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	7029753	JPHFZXFIHDGBDI-UHFFFAOYSA-N	410.543	3.698	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2ccc(O)cc2)c(C)n1-c1ccc2c(c1)OCCO2	10536305	APYJUQCOBMDDPE-UHFFFAOYSA-N	421.449	3.540	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1	23446204	LSHLYMDYYWARME-UHFFFAOYSA-N	415.921	3.570	10	20	HHCD	
Cc1cc(C(=O)NCCCc2cnn(C)c2)c(C)n1-c1ccc(Br)cc1	726785263	GERDKRFFXGAPMP-UHFFFAOYSA-N	415.335	3.953	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1cnn(Cc2ccccc2)c1	727249889	CWWSVNWSRREAMV-UHFFFAOYSA-N	414.487	3.995	10	20	HHCD	
O=C1/C(=C\c2cnn(Cc3ccccc3)c2)SC(=S)N1CCc1cccnc1	727864060	QTMPJZWPSHYLKL-YBFXNURJSA-N	406.536	3.770	10	20	HHCD	
O=C(COc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	731858333	KGIAPMGBCBDGPR-SFHVURJKSA-N	409.404	3.998	10	20	HHCD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	731893768	VNULEQRULDLPMG-KNQAVFIVSA-N	414.594	3.855	10	20	HHCD	
CC[C@H](Sc1ccccc1)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	732064783	ZEPZCFAVSJHXDM-QFIPXVFZSA-N	413.587	3.504	10	20	HHCD	
CC(C)[C@@H]1CCCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	735311898	XYXCCDYKDKIRPO-UEXGIBASSA-N	405.558	3.566	10	20	HHCD	
COC(=O)Nc1ccc(CNC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1	738298914	ISPJFTPRKCLZRO-UHFFFAOYSA-N	424.545	3.603	10	20	HHCD	
CCOC(=O)c1nnc2ccccc2c1NC1CCN(c2ccc(OC)cc2)CC1	740760287	PWAUPRGMAQMUFB-UHFFFAOYSA-N	406.486	3.896	10	20	HHCD	
COc1ccc(C)cc1N1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CC1=O	742476168	ZBNMZCXNCDSFCX-HXUWFJFHSA-N	421.541	3.663	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3C(C)(C)C)CC2)cc1	743278404	PWFNRYRJLXSXQF-UHFFFAOYSA-N	410.562	3.936	10	20	HHCD	
COc1ccccc1[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)N1CCCC1	745293690	SPYDFSDRONJDKV-JOCHJYFZSA-N	423.557	3.916	10	20	HHCD	
O=C(CNC(=O)N(Cc1ccccc1O)C1CCCCC1)N1CCc2ccccc21	745795865	KWXDHRPKIOUJQN-UHFFFAOYSA-N	407.514	3.826	10	20	HHCD	
CC(C)OC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745903619	IBMWWKPQDZWUNX-MRXNPFEDSA-N	411.493	3.856	10	20	HHCD	
Cc1ccc(CN(CCn2cc([N+](=O)[O-])cn2)c2ccc3c(c2)OCCO3)s1	746667529	XQRCMNFIBXUNAY-UHFFFAOYSA-N	400.460	3.639	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1[nH]c2ccccc2c1Cl	748838845	OGAARNVHJVNUDU-UHFFFAOYSA-N	401.869	3.852	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)N4C)cc2)CC1	749986291	VSDPHSZMWHLXKV-QGZVFWFLSA-N	406.530	3.630	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)NCCC3CCCCC3)cs2)cc1	751929815	CSDTYFXQWUHTEC-UHFFFAOYSA-N	401.532	3.560	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1	753369169	AVZDKQBWZZVPLY-QRQCRPRQSA-N	421.538	3.798	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1	753727704	CUVAGBNTHMXLMQ-FQEVSTJZSA-N	419.529	3.731	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)cc1	753829537	KERWNMWULOLROW-UHFFFAOYSA-N	423.538	3.755	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3(c4ccc(OC)c(OC)c4)CCC3)CC2)cc1	754222699	RDKNBQWACIFTDA-UHFFFAOYSA-N	424.541	3.919	10	20	HHCD	
Cc1cc(C(=O)CN(C)Cc2nnc3n2CCC3)c(C)n1-c1ccc(F)c(Cl)c1	754667206	WVKMROKOPIVRSG-UHFFFAOYSA-N	415.900	3.739	10	20	HHCD	
CC(C)C[C@H](C)OCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	755197834	KAOXBUNVKJXPSE-INIZCTEOSA-N	416.484	4.000	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)c(F)c(O)c1F	755530915	NCNUYKHPHBPFDB-LBPRGKRZSA-N	414.811	3.563	10	20	HHCD	
COc1ccc([C@H](CN[C@H](C)c2cc(Cl)ccc2O)N2CCOCC2)cc1OC	756363401	OBYQCZRMQFLBHN-BEFAXECRSA-N	420.937	3.787	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1	756377037	OUDRPQQKRADZNL-UHFFFAOYSA-N	422.617	3.892	10	20	HHCD	
COC1CCN(C(C)(C)CN[C@H](C)c2cc(Br)c(F)cc2O)CC1	756555032	PVVPODIRXCMYPM-GFCCVEGCSA-N	403.336	3.834	10	20	HHCD	
C[C@@H](NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(Br)cc(F)c1O	756574516	MVWAIOAFAGRYHM-DOMZBBRYSA-N	401.320	3.588	10	20	HHCD	
C[C@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1cc([N+](=O)[O-])ccc1O	756576093	YDHGCPPGYPPFEX-HNNXBMFYSA-N	421.457	3.868	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cc(Br)cc(F)c1O	757638687	MXVZHVGSZQWFLN-DYVFJYSZSA-N	423.326	3.711	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2CN2CCNC2=O)cc1	757919773	MHJFPXNWZZFSAN-UHFFFAOYSA-N	409.534	3.722	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(-c2nc(Cc3cccs3)no2)c1)c1cccs1	758278660	NYNRZNAUTODWOD-UHFFFAOYSA-N	419.509	3.957	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(Oc3cccc(Br)c3)CC1)[C@H](O)CO2	758975659	TWSQBSRJIKBWIG-LJQANCHMSA-N	420.303	3.624	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1	759998504	BAZXVCBHRQAQBT-LJQANCHMSA-N	407.539	3.934	10	20	HHCD	
COc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC(C)C	760965573	CJSZLXPOVDXGML-UHFFFAOYSA-N	413.518	3.983	10	20	HHCD	
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NCc2ccccc2O)c(C)c1	761927809	CABOMNUHVOQQBQ-UHFFFAOYSA-N	420.513	3.747	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)cc1	765264643	APQRLXKSNKKYNB-IBGZPJMESA-N	415.603	3.967	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCCC2)cc1	765322890	NTBAJZRRTIRZOD-GHTZIAJQSA-N	412.530	3.886	10	20	HHCD	
Cc1ccc(Br)nc1C(=O)NCc1cccc(Br)c1O	765726016	CBQNMCNJGBGUDQ-UHFFFAOYSA-N	400.070	3.551	10	20	HHCD	
C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	766415031	KCALEVQIPCSTEI-KRWDZBQOSA-N	408.473	3.899	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(Cc2ccccc2Cl)CC1	767037453	DFTVPEVJFBIINF-UHFFFAOYSA-N	410.949	3.744	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNC2CCN(C(=O)CCOC)CC2)cc1	767928611	ZUNMDOMMROTWHE-UHFFFAOYSA-N	409.574	3.830	10	20	HHCD	
O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccc(O)c(O)c1	768914835	MPTRAPKCDSKZAP-IBGZPJMESA-N	424.884	3.929	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2c(C)noc2n1	768915763	MQWBPDYPOLGNCV-MRXNPFEDSA-N	414.893	3.593	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cn1	769667173	PFAUNUMINYEHRS-UHFFFAOYSA-N	417.512	3.718	10	20	HHCD	
C[C@H](Sc1ccccn1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771058782	NWDUDTNSDKCTLR-YOEHRIQHSA-N	405.951	3.702	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCn2c(cc3ccc(Cl)cc32)C1	772337931	CLTHSWLBLJYRJN-UHFFFAOYSA-N	424.932	3.857	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1C(=O)OC(C)(C)C	772339974	JGJLROGHEIYSCL-IEBWSBKVSA-N	416.566	3.874	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(N(C)C)cc1	773215525	TVYNGFVNOVSWES-QGZVFWFLSA-N	417.513	3.960	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(C)noc2-c2ccccc2)cc1F	773311726	RWKCMVPGEXPAJM-UHFFFAOYSA-N	424.476	3.890	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1	773745488	KREVOMTWFHUJJO-DGCLKSJQSA-N	423.296	3.505	10	20	HHCD	
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773993942	LLNKXBKPMMDUCI-RYUDHWBXSA-N	424.364	3.572	10	20	HHCD	
COc1cccc(C2(NCc3cc(Cl)cc([N+](=O)[O-])c3O)CCOCC2)c1F	775047968	QBAWLZBXYHIPQM-UHFFFAOYSA-N	410.829	3.897	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1	775563137	VKDPOBHVVGVUQM-LRDDRELGSA-N	422.403	3.654	10	20	HHCD	
COc1cc(O)c(CNC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1OC	776222509	NGIXYFBEABBTJP-KRWDZBQOSA-N	405.800	3.603	10	20	HHCD	
COc1cc(O)c(CNC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1OC	776257632	ZHSWIMUSMHQHNG-LHSJRXKWSA-N	408.901	3.985	10	20	HHCD	
Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn1-c1cccc(F)c1	776490523	KCWYPNVVCOKRRK-UHFFFAOYSA-N	423.492	3.820	10	20	HHCD	
COc1cc(N(C)Cc2nc3ccc(Br)cc3n2C)cc(OC)c1OC	776795974	ZWHREDYIARCMLS-UHFFFAOYSA-N	420.307	3.998	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCCOc4cc(F)ccc43)CC2)cc1	776938130	MEERJMXFKMFKBR-NRFANRHFSA-N	413.493	3.970	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1coc(-c2ccc(Br)cc2F)n1	778916677	NFFFNWUCRDFLRG-UHFFFAOYSA-N	407.195	3.584	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(OC)c(Cl)c1	779179248	CJDDKRCWQTYGLS-HNNXBMFYSA-N	415.229	3.620	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1	779502067	CCLCHYQEENISLC-XBXARRHUSA-N	403.360	3.632	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(Cl)n1	782896357	LNGDBSPXQYTEOX-UHFFFAOYSA-N	417.893	3.749	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Cl)c1N(C)C	783315400	BWDMXMFGQKGHSK-UHFFFAOYSA-N	416.953	3.848	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)c3ccc4ccccc4c3)cc2)CC1	786256547	SJLGZJBRODBJOY-LJQANCHMSA-N	415.537	3.928	10	20	HHCD	
COc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	786771748	XIUOGJYOZBJFMT-QGZVFWFLSA-N	410.514	3.940	10	20	HHCD	
CCOc1ccc(CNc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)c(O)c1	796398531	QJDGOTQPCXONML-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)c(F)cc1O	797041719	FUTDGLIJYPUZJX-OLZOCXBDSA-N	414.319	3.625	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(C(N)=O)c3)cc2Cl)C1	799863553	WXJASJCSTULOPU-HNNXBMFYSA-N	414.937	3.675	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)Nc2ccccc2N2CCCC2=O)cc1	800710310	RYJUBNMSRPGEJD-UHFFFAOYSA-N	408.546	3.730	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3nnc(C4CC4)o3)cc2Cl)C1	807209336	IDOLUDUWOADXSF-CYBMUJFWSA-N	403.914	3.836	10	20	HHCD	
C[C@@H]1CCCN(c2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccn2)C1	812504331	SWATXLRFHAWPPB-WIYYLYMNSA-N	409.530	3.845	10	20	HHCD	
Cc1cc(CCNC(=O)c2csc(-c3cnn(C)c3)n2)c(C)n1-c1ccccc1	916115956	VZNLQNXXYDEUDB-UHFFFAOYSA-N	405.527	3.924	10	20	HHCD	
CCOC(=O)N[C@@H]1CCCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	916221138	PYRJKJQJIRHSHF-HXUWFJFHSA-N	412.534	3.557	10	20	HHCD	
CC(=O)c1cccc(S(=O)(=O)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1	916793056	OFFXCWJFSKZFTO-UHFFFAOYSA-N	414.458	3.555	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)n2)cc1C	917844854	JDJNEJXSMGNLMX-UHFFFAOYSA-N	415.540	3.930	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(c2ccccn2)CC1	918288660	CESNVAFEDDZRNR-UHFFFAOYSA-N	414.469	3.784	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)on2)cc1	919969780	HEDKJGRRHIIFLC-UHFFFAOYSA-N	405.498	3.789	10	20	HHCD	
CCOc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc(Cl)c1O	920182471	NZMLMZASDIVMSA-UHFFFAOYSA-N	408.901	3.834	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\C(=O)Nc4ccc(Br)cc43)cc2F)CC1	1252173615	YKVLZTIXJDUSBR-YBEGLDIGSA-N	416.294	3.833	10	20	HHCD	
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	108810115	AOTYZQWUZGQZEW-OFNKIYASSA-N	422.573	3.500	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	303591938	OYDRFFSBZJLHFV-OAHLLOKOSA-N	406.885	3.742	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)COc3ccc(C(F)(F)F)cc3)CC2)cc1	726561600	GEWZYKYTHNVIJU-UHFFFAOYSA-N	408.420	3.878	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)Oc3ccc(CCC(C)=O)cc3)CC2)cc1	726561902	YLEWOPDPLADOKR-IBGZPJMESA-N	424.541	3.769	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2I)c1	729036969	MNBBQDHWUOOFBA-SNVBAGLBSA-N	412.227	3.888	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCC(C)(C)N3CCC(OC)CC3)c2C)cc1	730791142	QUHSRAYCBQOFNU-UHFFFAOYSA-N	413.562	3.722	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)N(C)Cc1ccccc1	732241152	CSOAGPMIRUPWOX-IBGZPJMESA-N	412.603	3.560	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](CN(C)C)C2)c(C)n1-c1cccc(Br)c1	733884602	WVYHOXBTCBQARA-INIZCTEOSA-N	404.352	3.880	10	20	HHCD	
Cc1cc(F)ccc1N1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	735324298	MJIOCMGFEGUVHJ-HXUWFJFHSA-N	401.501	3.868	10	20	HHCD	
CCc1nnc(COC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1C	735899014	BDUZCMTXHLCCBI-UHFFFAOYSA-N	417.307	3.905	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COc3cccc(C(=O)NC[C@H](C)O)c3)c2C)c1	740872424	UCUKNXVVJUKMLA-SFHVURJKSA-N	420.509	3.775	10	20	HHCD	
CN(CCc1nc(-c2cccc(Cl)c2)no1)Cc1ccc(N2CCOCC2)cc1	740873730	YXMXWDSHWAZSCG-UHFFFAOYSA-N	412.921	3.901	10	20	HHCD	
CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C)n(-c3ccc(F)cc3)c1C)CC2	741234884	YTUDLRYJLIZVGH-RTWAWAEBSA-N	400.494	3.625	10	20	HHCD	
CC[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccncc1	741583835	BFSVCJQXNIQCMD-GOSISDBHSA-N	415.405	3.646	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1	742041150	JLHJLNBGJNBJFU-UHFFFAOYSA-N	414.937	3.988	10	20	HHCD	
CCc1nsc(N2CCN(C(=O)c3cc(C)n(-c4ccccc4C)c3C)CC2)n1	742906528	FPZFUDZRUHZNGM-UHFFFAOYSA-N	409.559	3.779	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)Nn1cnc2ccccc21	743508797	ULPDWIZCTLAPCD-AWEZNQCLSA-N	401.417	3.560	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCn2cccc2[C@@H]1c1ccccc1	747669647	OCBLWQYCXCIBSB-VWLOTQADSA-N	402.542	3.618	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)n2)s1	749737616	IVFHFWNQQTWTSB-UHFFFAOYSA-N	424.573	3.783	10	20	HHCD	
CCOC(=O)CC[C@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	752796725	KBSINAKBVACUAX-QGZVFWFLSA-N	411.498	3.884	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1	753637411	VTCUTMRKBDUQJU-NSHDSACASA-N	419.890	3.641	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3ccc(OC)c(Cl)c3)CC2)cc1F	753742849	WZXDABAFLYYECU-UHFFFAOYSA-N	406.885	3.778	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](C)C[S@](C)=O)c(C)n1-c1cccc(Br)c1	753761944	RPOFQAFYVMUIGY-OZAJXLCCSA-N	411.365	3.696	10	20	HHCD	
CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCN(c2ccc(OC)c(F)c2)CC1	753861102	MECKTIJIDDLEKH-LJQANCHMSA-N	417.550	3.554	10	20	HHCD	
COc1ccc(N2CCN(CCC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1F	753862395	ZGNYEDAQHZYJEN-UHFFFAOYSA-N	421.900	3.647	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3oc4ccc(OC)cc4c3C)nc12	754732047	BLXOYYUUKHCYOG-ZDUSSCGKSA-N	424.457	3.526	10	20	HHCD	
Cc1ccc([C@@H](CN[C@H](C)c2ccc(Br)cc2O)N2CCOCC2)o1	756362866	DMRDWYGLHRQNKU-RHSMWYFYSA-N	409.324	3.780	10	20	HHCD	
C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1ccc(Br)cc1O	756585897	OFLTYFFSGZARNX-SECBINFHSA-N	405.218	3.726	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cc(Br)cc(F)c1O	757638690	MXVZHVGSZQWFLN-GUYCJALGSA-N	423.326	3.711	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1	761788408	VADZWTHKWHRMLJ-QHCPKHFHSA-N	422.573	3.865	10	20	HHCD	
C[C@]1(c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)CCCO1	763316964	ODIHPYMBUZHGNZ-IYPOZPNPSA-N	421.569	3.991	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1	765330879	YTVBLFMCRHUREF-SFHVURJKSA-N	403.592	3.821	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N(C)C)cc2C)cc1	766030751	XBPBEOKUBXIIAB-GOSISDBHSA-N	403.592	3.942	10	20	HHCD	
COc1ccc2c(c1)CCCCN2CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1	766267805	CSPJNTCTKJFLHJ-UHFFFAOYSA-N	405.502	3.879	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@@H]2C)c1O	769504366	WLGWFESUEBYXIM-PWIZWCRZSA-N	422.525	3.801	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(N2CCOCC2)cc1	770007573	QMOUFKKQIDHIMA-ZDUSSCGKSA-N	404.854	3.968	10	20	HHCD	
C[C@H](NC(=O)NCc1cc2c(cc1OC(F)F)OCO2)c1ccc(N(C)C)cc1	773377007	RZDHUFGQXALDRR-LBPRGKRZSA-N	407.417	3.643	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	777264709	GKLHMKCKUSYZLX-MJGOQNOKSA-N	416.566	3.684	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(F)c(Cl)c3F)CC2)cc1	777846349	GJOGKMQRXCUROC-UHFFFAOYSA-N	423.891	3.569	10	20	HHCD	
CCOc1ccc(O)c(CNc2ccc(N3CCN(C)CC3)c(Br)c2)c1	786835844	IXEAJAVXQFHQIG-UHFFFAOYSA-N	420.351	3.917	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1	788461669	FZGOMYNRJJJXOV-LJQANCHMSA-N	415.534	3.641	10	20	HHCD	
COc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(N3CCCC3)cc2)c1	790180628	IHXXKLDMAMZCBM-UHFFFAOYSA-N	410.562	3.569	10	20	HHCD	
COc1cccc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c1O	790787627	JXCJZPTUKJLKCV-UGSOOPFHSA-N	423.296	3.543	10	20	HHCD	
COC(=O)C[C@@H]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]1C	792919502	JYNMLOXNDCXVNC-YZVOILCLSA-N	414.468	3.609	10	20	HHCD	
COc1ccc(CNC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)c(O)c1	794382587	CZVBYYPAUALYLL-UHFFFAOYSA-N	403.841	3.677	10	20	HHCD	
CCc1ccnc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	798108287	OGUAZORFOCTRNF-UHFFFAOYSA-N	404.461	3.714	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cncc(I)c1	801545469	QAVVJYPTPVWVJA-UHFFFAOYSA-N	410.255	3.834	10	20	HHCD	
CSc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	806782381	YHSDWZGJDADRNO-KBPBESRZSA-N	404.511	3.878	10	20	HHCD	
CC(C)(C(=O)NCc1c(O)ccc2c1CCCC2)S(=O)(=O)c1ccc(Cl)cc1	806942809	GTQQJFSFWVCXHA-UHFFFAOYSA-N	421.946	3.793	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1	807504920	FNHMKPHKFXFJCN-FPOVZHCZSA-N	411.521	3.693	10	20	HHCD	
CCS(=O)(=O)N1CCC([C@H](C)N(C)Cc2cc(-c3ccccc3)ccc2O)CC1	809786285	WRNIYMGZVAZYID-SFHVURJKSA-N	416.587	3.941	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)nc1	810213874	YIIMRBLMFSMMSI-OAHLLOKOSA-N	404.352	3.904	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)[C@@H]3CC(=O)N(C)C3)n2)c(C)n1-c1ccc(F)cc1	914715244	DPYLGYGOVMEDBJ-CQSZACIVSA-N	412.490	3.774	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(C)n1-c1ccccn1	914847520	VEOHEPMUSJVZDV-LJQANCHMSA-N	418.545	3.827	10	20	HHCD	
CC(=O)NCC1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	915705333	FBMKNBCMQJOGTE-UHFFFAOYSA-N	401.938	3.665	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)C2CC2)cc1	918456991	QMQJUUHRQWOHOR-UHFFFAOYSA-N	421.419	3.781	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)c(C)n1-c1ccccn1	920292653	GZQIXWUKTUCCMG-LJQANCHMSA-N	418.541	3.640	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1	1115870831	GKAVHGFQSNNQSI-IAGOWNOFSA-N	411.521	3.927	10	20	HHCD	
COc1cc(Br)c(OC)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1	1322521575	QMORQDVANJNTCA-SNVBAGLBSA-N	410.264	3.672	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3oc4ccccc4c3CN(C)C)CC2)cc1	1324297996	MGIMQSADQFENCX-UHFFFAOYSA-N	407.514	3.856	10	20	HHCD	
O=C(COc1ccc(F)cc1Br)Nc1c(Cl)ccc2nonc12	1346940637	IPKBDMXMLIRFLV-UHFFFAOYSA-N	400.591	3.795	10	20	HHCD	
COc1ccc(CN(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	7653336	QPTMVGKDSUJRNG-UHFFFAOYSA-N	414.461	3.541	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3c(C)nn(C)c3C)c2C)cc1	10200105	USXCTQYIUMVMLB-UHFFFAOYSA-N	423.513	3.812	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c1C	11312758	XWWKUSUNZIYXOD-SFHVURJKSA-N	408.502	3.937	10	20	HHCD	
C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2O)c1)c1ccccc1	97496529	GDVPOVQNKFSHOD-KRWDZBQOSA-N	424.522	3.704	10	20	HHCD	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	116925039	AUYQOBGRMAHJSD-UHFFFAOYSA-N	409.442	3.545	10	20	HHCD	
Cc1ccc(CNC(=O)c2cccc(CNCc3cc4c(cc3O)OCO4)c2)cc1	237876377	WORJIAQVVBKVIO-UHFFFAOYSA-N	404.466	3.649	10	20	HHCD	
Cc1nccn1CCNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	725895348	FMIVFURCXIVLAR-UHFFFAOYSA-N	401.308	3.792	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1oc2ccccc2c1CS(C)(=O)=O	727170016	CBPPMMFABVKOFR-UHFFFAOYSA-N	401.484	3.735	10	20	HHCD	
CCCCCn1nc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c2ccccc2c1=O	729277588	BWGXKLUDGDZGLF-HNNXBMFYSA-N	409.486	3.792	10	20	HHCD	
COc1ccccc1C[C@@H](C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	730590865	VJZHOAUSRSBSBB-QGZVFWFLSA-N	414.521	3.681	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1	730902425	HPJKADJLFVTYTL-BBRMVZONSA-N	404.438	3.980	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCOc3ccc4c(c3)OCO4)cc2)CC1	731048022	CTVDWZTZEXQCKS-UHFFFAOYSA-N	411.502	3.530	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)CC1	731121112	MQXAJIQKBVTVEL-UHFFFAOYSA-N	420.557	3.591	10	20	HHCD	
CCOC(=O)c1ccsc1NC(=O)CN(Cc1ccco1)Cc1ccccc1O	731844578	SNOXGSAVXMUTGQ-UHFFFAOYSA-N	414.483	3.864	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3ccc(OCCN4CCCC4)cc3)ccc21	732254446	ZJURJXYMFHDDOY-UHFFFAOYSA-N	422.573	3.543	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CSc2nccn2-c2cccc(Cl)c2C)c1	734016711	ZTIJRUYMVPEQMS-UHFFFAOYSA-N	417.918	3.957	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)CCc2ccc(Br)cc2)c1	734066813	ZDCBISVSHBEERH-ZDUSSCGKSA-N	407.308	3.984	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O	734401986	AFTHFRDKQOHGDI-UHFFFAOYSA-N	413.518	3.715	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@H](COC)C2)sc(C)c1-c1ccccc1	739918886	GCPZWBCZYPOQBS-INIZCTEOSA-N	416.543	3.807	10	20	HHCD	
COc1ccc(N(CC(=O)NC(=O)NCc2cccs2)Cc2ccco2)cc1F	739926736	TXNJGBYSLYUUBL-UHFFFAOYSA-N	417.462	3.521	10	20	HHCD	
Cc1ccc(NCCCNC(=O)NCc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1	740032907	IJXVIIZJWXBSNR-UHFFFAOYSA-N	411.506	3.805	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1	741055573	RLKVKQKQPFSZDB-UHFFFAOYSA-N	412.921	3.875	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1[N+](=O)[O-]	743340448	HGIJYMFTQFZQQJ-UHFFFAOYSA-N	406.280	3.830	10	20	HHCD	
CO[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1	743553523	NIUBUSSZJJKBMV-FQEVSTJZSA-N	421.900	3.503	10	20	HHCD	
Cc1ccccc1[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1	743564389	KMBWYAPZOQTMIB-XXBNENTESA-N	409.530	3.676	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)c(C)n1-c1ccccc1Br	743893471	RWAJBEOEBAEUHT-ZDUSSCGKSA-N	420.351	3.890	10	20	HHCD	
CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc(N(C)C)cc3C)ccc2NC1=O	745932734	RSWNQJXNCLRBAF-FOIQADDNSA-N	410.518	3.731	10	20	HHCD	
CCO[C@H](CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)C1CCCC1	747512426	PNQUQGJPBAZJPB-JOCHJYFZSA-N	403.567	3.949	10	20	HHCD	
CSc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl	747755464	QBQHVDPNWZBLIW-UHFFFAOYSA-N	401.919	3.693	10	20	HHCD	
CCS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	748961316	REGAULDPJZDMPU-FUHWJXTLSA-N	409.571	3.650	10	20	HHCD	
COC(=O)CC1(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CCOCC1	749507241	HEFCEUGVKIHIRZ-UHFFFAOYSA-N	404.894	3.590	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)cc1	749629347	PTTAAYDDFFQVHQ-UHFFFAOYSA-N	416.953	3.849	10	20	HHCD	
CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1	750578729	AKDOCRDUOSHTHV-GOSISDBHSA-N	401.492	3.648	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C)cc2Br)c1	751319645	ZNLXGJYKEDPIPA-LLVKDONJSA-N	400.294	3.511	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C(=O)c2ccc3c(c2)CCC3)cc1	751402984	AWDJWHXETPDDPF-QHCPKHFHSA-N	406.526	3.632	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)N3CCC[C@H]4CCCC[C@H]43)cs2)cc1	751938397	ZUERNNOCTBIJTP-VQIMIIECSA-N	413.543	3.654	10	20	HHCD	
Cc1cccc2c(O)nc(COC(=O)c3csc(Cc4ccc(N)cc4)n3)nc12	751944614	HMMVCTROPHFBQX-UHFFFAOYSA-N	406.467	3.630	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)Cc2cc[nH]n2)c(C)n1-c1ccc(OC(F)F)cc1	753891397	OJQAQVMWPBPOEB-CQSZACIVSA-N	417.412	3.776	10	20	HHCD	
CCn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cn1	754452648	CLNVCSMNSDAKSO-YKGWIAGDSA-N	424.570	3.565	10	20	HHCD	
O=C(CCc1nc(O)c2ccccc2n1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754538862	YTGFHLLILMUPPB-UHFFFAOYSA-N	423.428	3.682	10	20	HHCD	
C[C@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1cc(Br)ccc1O	756345294	WOWYHSNCGJRYQM-YOEHRIQHSA-N	424.408	3.856	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc(F)cc1)c1cc(Br)cc(F)c1O	756454863	PAFCCMXPDHEQJN-GWCFXTLKSA-N	402.235	3.523	10	20	HHCD	
Cc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)s1	757551062	IRPYYWHAMJVGTP-UHFFFAOYSA-N	410.502	3.901	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1F	757852133	VXFGBVFVVOZQJQ-IBGZPJMESA-N	414.477	3.796	10	20	HHCD	
C[C@H](NC(=O)CNC(=O)CSc1ncc(C(C)(C)C)s1)c1ccc(F)cc1	759719735	MDMXRWHSZJYAGP-LBPRGKRZSA-N	409.552	3.665	10	20	HHCD	
CC[C@H](NC[C@@H](O)c1cc(OC)cc(OC)c1)c1cc(Br)ccc1O	761500641	XXNSMCWEFQYSAN-PKOBYXMFSA-N	410.308	3.946	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1	761967960	RHRAZSMVSMQYBK-GJZGRUSLSA-N	415.465	3.661	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1cc(Br)c(O)c(Br)c1	763908364	BTGZORCYMZVSDO-UHFFFAOYSA-N	415.081	3.895	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)c1	764265084	KRNPKYCZBURVFZ-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccnn3C3CCCC3)cc2F)C[C@@H](C)O1	764927364	ZALGEQOEVSIFPK-HZPDHXFCSA-N	400.498	3.681	10	20	HHCD	
COc1ccc(CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC(C)C)cc1OC	768446618	LOYBCBVFWWKNKD-FQEVSTJZSA-N	401.503	3.536	10	20	HHCD	
Cc1cc(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)c3c(C)noc3n2)c(C)o1	768900746	PUIQDNWZFJGTSR-UHFFFAOYSA-N	407.426	3.792	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1	769235824	JSQDVJABPYYLED-DENIHFKCSA-N	403.592	3.873	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)C2CC2)cc1	770630857	CIYXOFSNAUSUJO-INIZCTEOSA-N	413.468	3.575	10	20	HHCD	
C[C@H](NC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	773009683	PUFGHGDFRBGINL-YJBOKZPZSA-N	407.580	3.672	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)oc1C	773843716	AJBHOBXJPOIBHM-OAHLLOKOSA-N	406.486	3.840	10	20	HHCD	
Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773856014	HWVJDDWZNMDUGQ-CYBMUJFWSA-N	404.308	3.639	10	20	HHCD	
COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1OCc1cccnc1	774914384	IEKPYNUJNRJBCG-UHFFFAOYSA-N	411.414	3.904	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(N3CCC(N(C)C)CC3)c(F)c2)c1O	774936172	JWMNPCOWOBHTNQ-UHFFFAOYSA-N	418.469	3.591	10	20	HHCD	
Cc1cc(=O)oc2cc(OCCN[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc12	775255347	MWMJSBWYZKYQTI-SFHVURJKSA-N	408.498	3.668	10	20	HHCD	
Oc1ccccc1[C@H](CCc1ccccc1)NC[C@@]1(N2CCOCC2)CCSC1	776263447	CGQUTFOYYUYYLK-UPVQGACJSA-N	412.599	3.864	10	20	HHCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1	778631636	WYNDSRJDTGJJQT-AGHHOFFYSA-N	403.567	3.867	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1	778727415	PWZDLGGPZSNLEJ-CHWSQXEVSA-N	407.873	3.832	10	20	HHCD	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1F	779202554	CLKBUBPBJJQRJN-MHWRWJLKSA-N	402.472	3.729	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H](OCC4CC4)C3)cc2F)C[C@@H](C)O1	779531105	WQGQIMUPEFSXJV-MBOZVWFJSA-N	419.541	3.540	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC1	780681102	MJAISGNHGTWOAJ-QGZVFWFLSA-N	417.550	3.860	10	20	HHCD	
CCN(CC)C(=O)CCC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	782520215	QPNGZURBXLTIQE-UHFFFAOYSA-N	412.578	3.633	10	20	HHCD	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785423990	JKVHLHXWDPWFEL-CQSZACIVSA-N	407.436	3.607	10	20	HHCD	
O=C1[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCN1C1CCCCC1	785548066	JGYSLENKXGROLY-HXUWFJFHSA-N	414.550	3.998	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1	787862334	IJFLXHODYIBSCN-HNNXBMFYSA-N	420.456	4.000	10	20	HHCD	
CCc1nn(C)c(CC)c1CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	790274095	XJWAHYGQRDEBAV-UHFFFAOYSA-N	408.546	3.975	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(-n2cccn2)cc1	791247209	AJWYIMWCDPEHSM-UHFFFAOYSA-N	420.513	3.875	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1CC(c2ccccc2)=NO1	791250983	VPJUVPJQHJYKBY-HSZRJFAPSA-N	423.513	3.568	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(O)c1	794381048	JJJBLANSAXDTMC-UHFFFAOYSA-N	408.410	3.818	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1	796584208	BYMAOYNMEOWXKK-JOCHJYFZSA-N	422.573	3.566	10	20	HHCD	
C[C@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1	797088229	VTQRCBYTUMRMSQ-XSLAUPDRSA-N	416.585	3.550	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(CC(=O)O)Cc2ccc(F)cc2)cc1F	797720576	YABWXUCYNPJABD-UHFFFAOYSA-N	405.445	3.607	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)CC)ccc1C	802609978	OJHMMOOVHQPXIM-UHFFFAOYSA-N	411.502	3.817	10	20	HHCD	
CC(C)(CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccncc1	805766335	GWSCKUQBORUFFP-UHFFFAOYSA-N	409.530	3.543	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c(Cl)cc1F	806854186	WAYDUAIDEOWFEQ-UHFFFAOYSA-N	421.925	3.596	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2ccncc2)cc1	807678156	VJULUIDUVQQEGM-ZWKOTPCHSA-N	416.525	3.869	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(NCC2CC2)nc1	807931898	YKDGXNYZAWGDJU-UHFFFAOYSA-N	424.545	3.906	10	20	HHCD	
NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1C(F)(F)F	808089957	NQKVZKVOUSSCLB-UHFFFAOYSA-N	415.220	3.977	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCCc2ccc(OCC(=O)NC3CC3)cc2)c1O	808677848	FVRXIWAQVZIKAE-OAHLLOKOSA-N	402.922	3.905	10	20	HHCD	
COC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1	810211883	XLCDOIDPDVYVCO-GHTZIAJQSA-N	401.938	3.519	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)c1	810348419	VZPDATFPHWIWEV-ZOCIIQOWSA-N	418.534	3.861	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCOC1	812380552	MPVBQNJMPUPAMO-SFHVURJKSA-N	417.513	3.660	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2ncccn2)c(C)n1-c1ccc2c(c1)CCC2	812605046	CTBNKPVUHLQOEL-UHFFFAOYSA-N	403.482	3.732	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(CN4CCCCC4)c3)CC2)cc1F	857464668	JRIVJWXFSLRQSR-UHFFFAOYSA-N	411.521	3.783	10	20	HHCD	
Nc1c(F)cc(Cl)cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472929	PSORGTJOSKLFQD-AWEZNQCLSA-N	412.292	3.815	10	20	HHCD	
COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	914908180	XVWXQCVGEWEYIX-MRXNPFEDSA-N	423.469	3.690	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C3(c4cc(C)cc(C)c4)CC3)CC2)cc1	916731632	JFNOICPYZOECGW-UHFFFAOYSA-N	421.585	3.672	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)cc1C	918303383	HRFBFCMHBDHWHT-UHFFFAOYSA-N	418.335	3.811	10	20	HHCD	
COCCOCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	919226278	MSJKGUMAOUPPAZ-UHFFFAOYSA-N	414.285	3.790	10	20	HHCD	
C/C(=C/C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1	919543590	AKFQBIYXJGLVKD-YBEMTRGBSA-N	403.434	3.689	10	20	HHCD	
CN(Cc1cc(Br)cs1)C(=O)NCc1ccc(N2CCOCC2)cc1	919790928	SUAMWQPWCASPMT-UHFFFAOYSA-N	424.364	3.689	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc(F)c1F)c2[N+](=O)[O-]	921291682	WCERYCZXVQRJEF-UHFFFAOYSA-N	408.316	3.901	10	20	HHCD	
C[S@@](=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	1320638014	OMCUDJZQEYAPSR-MUUNZHRXSA-N	412.477	3.569	10	20	HHCD	
CN1CCN(c2ccc(CNc3nnc(CCCc4ccccc4)o3)cc2F)CC1	1320685334	MVLCJWLZITUQKK-UHFFFAOYSA-N	409.509	3.748	10	20	HHCD	
COc1ccc(N2CCC(NCc3ccc(OCCN4CCCC4)cc3)CC2)cc1	237574417	BBDVTVRMYGODJB-UHFFFAOYSA-N	409.574	3.928	10	20	HHCD	
COc1ccc(SCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	302887689	HIYFOVWRNYSQEU-UHFFFAOYSA-N	400.544	3.673	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C[C@H](C)c3cccc(F)c3)CC2)cc1	303602313	AOPNTJXMQQRXHM-IBGZPJMESA-N	413.537	3.656	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)n(C)c2ccccc12	472218481	CROZCAXOQVOMOA-UHFFFAOYSA-N	406.534	3.504	10	20	HHCD	
COc1cc2c(cc1OC)CCN(C(=O)NCc1c(C)c3ccccc3n1C)CC2	472224999	RXDGWIZLAQWBOO-UHFFFAOYSA-N	407.514	3.814	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)n(C)c2ccccc12	472281985	DMKQRBWNUMILMT-UHFFFAOYSA-N	410.562	3.857	10	20	HHCD	
COc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)ccc1Br	542023543	NVAPUQSJYCUNPY-UHFFFAOYSA-N	406.280	3.955	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccccc3OC(F)F)CC2)cc1	726610189	JCAOWDBAGZGDFG-UHFFFAOYSA-N	405.445	3.765	10	20	HHCD	
CCCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1ccccc1O	727831090	HRRODVWDMPVCAK-FQEVSTJZSA-N	410.514	3.739	10	20	HHCD	
COc1cccc(N2CC[C@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2)c1	728219857	ZZBQIJUPEBCBOH-IBGZPJMESA-N	408.546	3.714	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1	728979579	ISJDWHGHHZGINA-OAHLLOKOSA-N	402.450	3.746	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1	731340749	LDGFSRCVXSOSDP-UHFFFAOYSA-N	409.511	3.920	10	20	HHCD	
C[C@@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccc(N2CCOCC2)cc1	734166774	DWOLWPQFROMSRH-HYBUGGRVSA-N	422.573	3.548	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Br)cc1Cl	734702308	VZTIPMLRDXHRBT-UHFFFAOYSA-N	424.726	3.732	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)CC2)cc1	735686876	HGRVOXKGJNJQNA-WIYYLYMNSA-N	403.567	3.758	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	741177867	RNMZOIHVYOZIND-FQEVSTJZSA-N	402.583	3.567	10	20	HHCD	
COc1cc(N(C)CC(=O)Nc2ccc(Br)cc2)cc(OC)c1OC	741795388	KKKOYTVDCDIJIU-UHFFFAOYSA-N	409.280	3.550	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CS[C@H](C)c3ccccc3OC)CC2)cc1	742455459	NPDDUSLYNNPEBF-QGZVFWFLSA-N	400.544	3.847	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cn2cccn2)o1	742806160	PZWZWEFNJNXTFY-HNNXBMFYSA-N	416.428	3.525	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCCCNC(=O)OC(C)(C)C	742952528	KZDRVBFZENAMQK-UHFFFAOYSA-N	405.539	3.953	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)c2)CC1	743957802	AULJIAPRMXFREC-UHFFFAOYSA-N	421.541	3.762	10	20	HHCD	
CCOc1cccc(CNC(=O)CN(CC)Cc2cc(Br)ccc2O)c1	744426704	VAJNAMTZVYRDJL-UHFFFAOYSA-N	421.335	3.692	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)ccc1C	745994796	OTTRJYCRXDOYAJ-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
O=C(/C=C\c1nc2ccccc2s1)NCc1ccc(N2CCC(O)CC2)c(F)c1	746010547	LTJGBTZKDKJXOY-FPLPWBNLSA-N	411.502	3.726	10	20	HHCD	
CCOC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	748476729	QMZFUPCIWAOPRE-UHFFFAOYSA-N	423.473	3.731	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc2nc(C3CC3)sc2c1	749730679	AYKSDKFVQQUZPH-UHFFFAOYSA-N	418.569	3.867	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cc(F)ccc3I)ccc21	750733767	STXDRSSFWMDLEU-UHFFFAOYSA-N	424.257	3.743	10	20	HHCD	
C[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(Br)cc1O	756803798	UNYQTGOPGQDZLI-AWEZNQCLSA-N	419.319	3.729	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H](C)c3ccc(C)cc3)CC2)cc(OC)c1OC	759215980	KRDXGONMFGGEIZ-QGZVFWFLSA-N	413.518	3.614	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H](C(=O)NCc1ccccc1)c1ccccc1	759595389	RBCNNHLJYXLPJV-BRWBUXIUSA-N	403.434	3.712	10	20	HHCD	
Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1C	759895043	BKUDPINLRAXHKZ-UHFFFAOYSA-N	420.494	3.669	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1F	762745295	IWVRFAAFNIMUBD-MISYRCLQSA-N	421.557	3.786	10	20	HHCD	
CCOC(=O)c1c(C)oc2ncnc(NCc3cccc(Br)c3O)c12	765983354	UWXKIDSSAOVPIL-UHFFFAOYSA-N	406.236	3.788	10	20	HHCD	
Cc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cnn1C1CCOCC1	766991375	BTYHJLKKIHPMPA-UHFFFAOYSA-N	421.497	3.990	10	20	HHCD	
CCOc1ccc(O)c(CN(C)[C@@H](C(=O)OC)c2cccc(Br)c2)c1	770380637	QBXYIHYRVWPLBA-GOSISDBHSA-N	408.292	3.900	10	20	HHCD	
Cc1ccc(Cn2nc(C)c(CCC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2C)cc1	773761817	CJCQHFXZIMPWIF-KRWDZBQOSA-N	421.541	3.948	10	20	HHCD	
CCCCCC[C@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	774707020	MPLGEWALGQKIIW-BZSNNMDCSA-N	421.557	3.531	10	20	HHCD	
COc1c(Br)cccc1CNCc1ccc(N2CCC(CO)CC2)cc1	775305907	QPAOZBXUTJKJNS-UHFFFAOYSA-N	419.363	3.956	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1ccccc1Br)c1ccc(N(C)C)cc1	775831438	RYAGNKJHAALADI-OAHLLOKOSA-N	404.352	3.824	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CSc2nncs2)c(C)n1-c1cccc(F)c1	775966357	WWEIEZZNCCEZLP-UHFFFAOYSA-N	405.476	3.603	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1ccc(Cl)cc1F	777651307	RJIUTHIVGCANOX-UHFFFAOYSA-N	409.864	3.579	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC(=O)c1cc(C)sc1C	777828542	KVZIOBNYALJGNZ-UHFFFAOYSA-N	423.918	3.889	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@H]([C@@H](C)O)C2)sc(C)c1-c1ccccc1	780357982	HGPRDLBAIUKKTQ-PBHICJAKSA-N	416.543	3.541	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)C2CCCCC2)cc1	784062057	WMDWHWSSXLJYJQ-UHFFFAOYSA-N	421.476	3.898	10	20	HHCD	
CC1(C)Cc2cccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2O1	789396202	PGGYEMMPKRBIIX-UHFFFAOYSA-N	409.530	3.931	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1ccc(C(F)(F)F)c(F)c1	790365364	CFEVBRLYHCMKSN-UHFFFAOYSA-N	400.444	3.762	10	20	HHCD	
CO[C@@H]1CCOc2c(NC(=O)NCc3cccc(Br)c3O)cccc21	790566581	ZQFVGTRNEKYMGT-OAHLLOKOSA-N	407.264	3.946	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C[C@@H](C)S1(=O)=O	794162197	QRUNQPFOFCMICG-IYBDPMFKSA-N	414.531	3.816	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1	797638670	KKHGZAYPXKQROH-MRXNPFEDSA-N	419.481	3.781	10	20	HHCD	
COC(=O)c1c(Br)ccc(NC(=O)NCc2ccc(OC)cc2O)c1C	797650131	GKFGVKNTIKIDIF-UHFFFAOYSA-N	423.263	3.580	10	20	HHCD	
CCn1c(Sc2ncc([N+](=O)[O-])s2)nc2ccc(Br)cc2c1=O	799927901	JQUQOQKMZIDSET-UHFFFAOYSA-N	413.278	3.695	10	20	HHCD	
CC[C@@](O)(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	800460790	VPROFZLEGLOLAE-ZHRRBRCNSA-N	402.922	3.652	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)cc3)cc2Cl)C1	800637471	ZKUURCSXTYODOS-AWEZNQCLSA-N	403.885	3.970	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)c1ccccc1	807291738	MRIKSCJGTIMIOO-QFIPXVFZSA-N	405.542	3.552	10	20	HHCD	
Cc1cc(C(=O)NCc2ccncc2OC[C@H]2CCOC2)c(C)n1-c1ccc(F)cc1	807730959	VVKIPNGJTTYTNR-SFHVURJKSA-N	423.488	3.974	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807839640	QRBRDRKJSTUSMK-ZDUSSCGKSA-N	416.349	3.783	10	20	HHCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CCO1	808070670	UQFDCUJERAFHSB-RBBKRZOGSA-N	417.594	3.591	10	20	HHCD	
CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1O	812031579	RUJREVOJVYAOSK-KRWDZBQOSA-N	415.538	3.755	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](O)c1ccc(Cl)cc1	813488942	JQTJPKDMYZHFTR-PKOBYXMFSA-N	409.313	3.513	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)[C@H]1OCCc2sccc21)c1ccc(N2CCOCC2)cc1	813606556	TVTBVMPENUPWMW-CKJXQJPGSA-N	415.559	3.647	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(CN2CCCC2=O)c1	916624692	MNIACIPLDIPOCN-UHFFFAOYSA-N	424.570	3.684	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2cccc(CN3CCCC3=O)c2)C2CC2)cc1	918067608	PNPCNJQEIDYMQA-UHFFFAOYSA-N	420.557	3.749	10	20	HHCD	
CCOC(=O)C[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1cccc(OC)c1	918139504	UIUNGLCHQRIEIT-OAQYLSRUSA-N	421.497	3.922	10	20	HHCD	
C[C@@H](Cc1cccc(O)c1)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	919784434	QLDLQLNKEKXJTE-YESZJQIVSA-N	415.509	3.575	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1	1261243258	XRWPTLBBJWKTMM-UHFFFAOYSA-N	423.391	3.975	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1coc(-c2ccccc2)n1	1318346344	WGINUTKDHSAMJV-UHFFFAOYSA-N	420.513	3.562	10	20	HHCD	
C[C@@H]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H](n2cncn2)C1	1321812263	YCRDWESSDCDTRZ-YSGRDPCXSA-N	423.483	3.653	10	20	HHCD	
COC(=O)N1CCC(CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1	1322717756	BNIFOUJDZPYMQU-UHFFFAOYSA-N	403.910	3.956	10	20	HHCD	
Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)c(C)o1	1788424281	QYEYJMKOMAHTEE-UHFFFAOYSA-N	421.453	3.764	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2cnccn2)c(C)n1-c1ccc(OC(F)F)cc1	4504236	JPFPQENSBWINMQ-CQSZACIVSA-N	415.396	3.914	10	20	HHCD	
Cc1ccccc1C(=O)NC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1	472219712	HIEOSNNGPRSLOA-UHFFFAOYSA-N	418.541	3.899	10	20	HHCD	
COc1cc(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1C	726565438	NPSQSFHKQXSIPX-UHFFFAOYSA-N	404.457	3.933	10	20	HHCD	
O=C(NC[C@@H]1CC1(Cl)Cl)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726610568	LBJBWEYGEIQHIA-NSHDSACASA-N	408.276	3.750	10	20	HHCD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)c1cc(OC)ccc1O	729064016	NOCZEZZBYDDOPZ-GFCCVEGCSA-N	406.866	3.659	10	20	HHCD	
C[C@@H](NC(=O)Cc1ccccc1Br)c1ccc(N2CCOCC2)cc1	729177776	CBDWUYKUFOZMBD-OAHLLOKOSA-N	403.320	3.706	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1F	731345580	BQNMVWGZJMVVLQ-UHFFFAOYSA-N	407.530	3.935	10	20	HHCD	
CCc1c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)nnn1-c1cccc(Cl)c1	731810891	WSAPTKWNYPZGSR-LBPRGKRZSA-N	400.866	3.688	10	20	HHCD	
O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccccc3O)C[C@H]3CCCO3)n2)cc1	731844201	CNTXBAAYLXNESZ-GOSISDBHSA-N	410.430	3.532	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2F)C[C@H](C)O1	731976304	VNMDBQURHSTWCZ-STQMWFEESA-N	421.856	3.931	10	20	HHCD	
CC(C)c1cc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n2ncnc2n1	732049044	MKKZMRDAEFRTLU-MRXNPFEDSA-N	400.914	3.683	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)n2)cc1C	734975699	XAMRFOYJHSSAGD-UHFFFAOYSA-N	413.524	3.514	10	20	HHCD	
CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	739527654	UTZMGBPRXCPASR-GMAHTHKFSA-N	407.558	3.519	10	20	HHCD	
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1	740800719	BUELOFKCBBOCFX-UHFFFAOYSA-N	401.532	3.570	10	20	HHCD	
O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc2c(=O)n3c(nc2c1)CCC3	740801040	MKFFOSVJVKEWSJ-UHFFFAOYSA-N	402.498	3.975	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743054281	ANPSLHIKPGBUSN-OAHLLOKOSA-N	419.428	3.850	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F	743531507	AECHITBTEOALII-OAHLLOKOSA-N	423.435	3.904	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4ccn(C)c4c3)cc2)CC1	743906817	XGQXVIAUXAOGMG-UHFFFAOYSA-N	404.514	3.670	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCC(C1CC1)C1CC1)c2[N+](=O)[O-]	744374423	RAOWZMBWJBMVKV-UHFFFAOYSA-N	404.422	3.536	10	20	HHCD	
O=C(NCC[C@H](O)c1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903621	IEFITNLTWGHCMS-PXNSSMCTSA-N	419.472	3.680	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1)C1CCCCC1	746756517	XPHWGSGLEXTIOV-FQEVSTJZSA-N	409.578	3.963	10	20	HHCD	
CCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	747860669	LITNWCYWMMDXQV-HXUWFJFHSA-N	414.594	3.903	10	20	HHCD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	748887893	VAEPTRFPMIPDBS-INIZCTEOSA-N	418.921	3.684	10	20	HHCD	
Cc1cccc([C@@H]2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)c1	753109047	OXIBPEXXTNMRAO-HXUWFJFHSA-N	411.521	3.794	10	20	HHCD	
Cc1ccc(Cl)c(OC[C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	754135454	HXICHBVYCFEYSE-FXAWDEMLSA-N	404.938	3.576	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3cccnc3Oc3ccccc3)no2)c1	758283551	MYCKRSWFQUUZCZ-UHFFFAOYSA-N	424.438	3.668	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1	758901217	PCNXNXAWJIOWAK-JOCHJYFZSA-N	411.546	3.960	10	20	HHCD	
COc1ccsc1S(=O)(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1	760310502	DEOLLZRMONEVIS-UHFFFAOYSA-N	418.525	3.867	10	20	HHCD	
Cc1cc(C(=O)NCC2(O)CCN(C(C)C)CC2)c(C)n1-c1ccc(Cl)cc1	760892037	HYSUSFKVXQWUKB-UHFFFAOYSA-N	403.954	3.713	10	20	HHCD	
O=[N+]([O-])c1cc(CN[C@@H](CN2CCOCC2)c2ccccc2)ccc1N1CCCCC1	761541511	KVVJWTHUSBLBIS-QFIPXVFZSA-N	424.545	3.748	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)sc1Br	762268584	MDBFWKAOMSEXDG-UHFFFAOYSA-N	421.110	3.657	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccncc2Br)cc1	763316494	NGMRKYGRVBVFTB-QGZVFWFLSA-N	418.335	3.732	10	20	HHCD	
C[C@@H](NC(=O)N1CCOC2(CCCCCC2)C1)c1ccc(N2CCOCC2)cc1	763593076	DAVOXDFEFYCFRA-LJQANCHMSA-N	401.551	3.719	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N2CCOCC2)cc1	765328511	GAHREHTYDQCNIO-JKSUJKDBSA-N	424.513	3.931	10	20	HHCD	
COC(=O)[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)c1cc(OC)cc(OC)c1	767280034	BBXGHMWXHIASMB-NRFANRHFSA-N	424.453	3.577	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCN1C(=O)C(C)(C)C	769292058	QMDLOBSFCOLBHB-OAHLLOKOSA-N	411.340	3.540	10	20	HHCD	
CCCN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	769331657	VXXQZIJJUNPALY-NRFANRHFSA-N	403.567	3.745	10	20	HHCD	
CC[C@@H](C)[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F	772536288	GTONAVSVDUIWGC-SJKOYZFVSA-N	405.436	3.563	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3ccc(Cl)o3)cc2Cl)C1	775224822	DYRKWCWHUANHIH-ZDUSSCGKSA-N	424.328	3.755	10	20	HHCD	
COc1ccc(-n2ccnc2SCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	775405520	SOAMYZNOZLNDMF-INIZCTEOSA-N	410.543	3.916	10	20	HHCD	
Cc1cc(Br)cc(C)c1NC(=O)NCCCNC(=O)c1cccc(O)c1	775512462	PYPGUDQVZOZQLY-UHFFFAOYSA-N	420.307	3.713	10	20	HHCD	
Cc1cc(C(=O)NCC2=CCN(C)CC2)c(C)n1-c1cccc(Br)c1	775962076	DPFQITLAFNJKRY-UHFFFAOYSA-N	402.336	3.848	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1C(=O)NCCc1ccccc1	779476108	UXWSPHLWEJEXJF-QBFSEMIESA-N	402.450	3.722	10	20	HHCD	
O=C(COC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccc(O)c(O)c1	784875341	JUWZHDIUBKHVRA-UHFFFAOYSA-N	410.344	3.745	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(F)c(C)c1	785192711	CUFRZVSOBNJUMI-UHFFFAOYSA-N	409.255	3.589	10	20	HHCD	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785434927	XNLUSTGTKASDNO-HOTGVXAUSA-N	401.938	3.673	10	20	HHCD	
CC(C)(C)C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1	788251340	VGBCGCZWIDOIHO-QFIPXVFZSA-N	405.542	3.973	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCCCC3)cc1F	789483592	SWYDMRGBAJEVNS-UHFFFAOYSA-N	418.538	3.652	10	20	HHCD	
Cc1cc(CC(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)c(C)n1-c1ccc(Cl)cc1	791891294	ZPOFKCBZKZTMRA-VGSWGCGISA-N	402.922	3.696	10	20	HHCD	
COc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c(O)c1	794376774	JOAXCHVPAIOAHH-UHFFFAOYSA-N	409.339	3.674	10	20	HHCD	
CCCCCC[C@](C)(NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)O	797714269	FWWZVEPNUYQCOT-VGSWGCGISA-N	405.539	3.697	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cn4cc(Cl)cc(Cl)c4n3)CC2)cc1	799295467	MUENGRCCDCCKLO-UHFFFAOYSA-N	405.285	3.612	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1	800762386	IBXNTSIKRQQMMU-NRFANRHFSA-N	405.498	3.917	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1cccc(COC(C)(C)C)c1)c1ccc(N(C)C)cc1	804244455	COSRKHIHJVCNKK-QGZVFWFLSA-N	411.546	3.561	10	20	HHCD	
CCN(C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H](C)c1cccnc1	805026473	PCDQJVAMLNMYKA-LJQANCHMSA-N	408.546	3.544	10	20	HHCD	
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	805312628	SPXCRUWGGBOYLN-NWDGAFQWSA-N	418.321	3.755	10	20	HHCD	
Cc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1NS(C)(=O)=O	806264019	GTINELOQUQCLJR-UHFFFAOYSA-N	418.302	3.701	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N1CCC[C@H]1c1ccccc1Cl	806281110	NKFQWRKGWKUOEA-HNNXBMFYSA-N	409.964	3.759	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807841290	XGFLEERLVSNXOW-SFHVURJKSA-N	403.306	3.962	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](Cc2ccc(Br)cc2)C1	817768317	KMZACIBSHXXYCH-KZJSRBBCSA-N	402.288	3.965	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(-n4cncn4)c(F)c3)SC2=S)cc1	824017355	LUIFVXPZHYFDGF-RQZCQDPDSA-N	412.471	3.821	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccn1	914905502	IMJVKHLTBWDTKI-OAHLLOKOSA-N	408.414	3.581	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Br)cc2)cc1	917928063	QMOOHUMYEJLGLN-UHFFFAOYSA-N	409.349	3.868	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1	920926963	TUEPRXCALROVLU-CYBMUJFWSA-N	422.312	3.646	10	20	HHCD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	921151171	JVSLRHMVIYUNSJ-AVRDEDQJSA-N	400.519	3.849	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCCN2CCC[C@H]2C1	1203566874	AZAJDSIMIXPLMW-ZDUSSCGKSA-N	404.146	3.587	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CC2)cc1	1336435539	OEVHOXUKAMKEAS-UHFFFAOYSA-N	418.419	3.875	10	20	HHCD	
CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1780988149	NRCRZWUHIKUTFY-RCZVLFRGSA-N	423.557	3.632	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(Br)s1	7251188	AQKBFGORDCOBNK-UHFFFAOYSA-N	410.381	3.667	10	20	HHCD	
CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)ccc21	7323629	FBBYVPFHYBLIRH-UHFFFAOYSA-N	405.526	3.581	10	20	HHCD	
Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	8362318	XMMBWECKFWBCHC-UHFFFAOYSA-N	412.530	3.765	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NC(C1CC1)C1CC1	26520665	JRWPJWLHFCRODK-UHFFFAOYSA-N	413.543	3.738	10	20	HHCD	
CC1CCN(C(=O)c2ccc(N[C@H](C)c3ccc(N4CCOCC4)cc3)nc2)CC1	301228178	HJWPHSDXBFSBOB-LJQANCHMSA-N	408.546	3.963	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Cn2cc(C(=O)OC)c3ccccc32)cc1	24187559	GVVOFAAXHSRNFK-UHFFFAOYSA-N	407.514	3.933	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1O	809703036	CKCYJWZKCNXTQU-AWEZNQCLSA-N	401.246	3.829	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H]3CCN(C(=O)OC(C)(C)C)CC3(C)C)cc2)CC1	800892899	ICMMTLVMWRTOFT-OAQYLSRUSA-N	416.610	3.564	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C	807562601	QHKFIZIKSJSRFA-MRXNPFEDSA-N	414.550	3.658	10	20	HHCD	
CC(=O)N[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C1CCCC1	800048489	CPUMXIYFTQTVOV-YCRPNKLZSA-N	405.970	3.887	10	20	HHCD	
CN(C)c1ccc([C@@H](CN[C@H]2CCC23CCOCC3)NC(=O)OC(C)(C)C)cc1	800487555	HJWZHQMDZLKGTP-UXHICEINSA-N	403.567	3.867	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc2c(cc1Cl)OCO2	802610128	REBAHDMVLKJUSL-UHFFFAOYSA-N	404.850	3.542	10	20	HHCD	
Cc1c(CNC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)n(C)c2ccccc12	471173962	VSOXILLYUQDWKV-UHFFFAOYSA-N	420.513	3.810	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(NCC2CC2)nc1	800690282	MJPDHXOEIMGWJM-UHFFFAOYSA-N	416.472	3.904	10	20	HHCD	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCCCSc1nccs1	806280340	NHFLIVGADXJAEM-UHFFFAOYSA-N	418.371	3.707	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)c1	729280081	JTIQZFAKHFGWAR-QRWLVFNGSA-N	400.475	3.529	10	20	HHCD	
CC(C)(C)c1csc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)n1	729496661	KMIPINWHHFDMOD-UHFFFAOYSA-N	404.605	3.993	10	20	HHCD	
COc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	725849122	IDYTVUHIUAQMGI-UHFFFAOYSA-N	400.435	3.792	10	20	HHCD	
Cc1cc(C(=O)N2CCC(c3nnc(S)n3C3CC3)CC2)c(C)n1-c1ccccn1	731633788	NXNWLHQTRPQCKI-UHFFFAOYSA-N	422.558	3.724	10	20	HHCD	
Cc1ccc(OCc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cn1	733951580	JMMDASQAGNRHDD-UHFFFAOYSA-N	417.509	3.736	10	20	HHCD	
Cc1cc(C(=O)COC(=O)COC[C@@H]2CCCO2)c(C)n1-c1ccc(F)c(Cl)c1	733597700	RHYBXBRCWBJFHL-INIZCTEOSA-N	423.868	3.808	10	20	HHCD	
CC(=O)CCc1ccc(OCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	731856127	KQUAPLQHEIQHOU-JOCHJYFZSA-N	411.498	3.500	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-]	917710031	LXDHIPSERDKLOC-HUUCEWRRSA-N	401.438	3.586	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]c2c1C(=O)CCC2	742801412	YZPPVGOQEIZIHP-AWEZNQCLSA-N	417.456	3.842	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3c(O)ccc4c3CCCC4)C2)cc1	743719425	ZCHRUYLUIXZPSK-FQEVSTJZSA-N	406.526	3.748	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2ccccc2oc1=O	742798439	NPLQMGIGQZDANG-HNNXBMFYSA-N	414.408	3.793	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1	912859230	IJPNHCDPZITJPQ-WJDWOHSUSA-N	401.469	3.626	10	20	HHCD	
O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742797497	DICNFEAVNLENAM-OAHLLOKOSA-N	405.401	3.524	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(OC2CCC2)c(F)c1	748981149	VFZPARRXBYAATB-UHFFFAOYSA-N	411.477	3.612	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CC3(NC(=O)OC(C)(C)C)CCC3)CC2)cc1	746844403	LCVOYQAAUIWERF-UHFFFAOYSA-N	417.550	3.618	10	20	HHCD	
CCCOC(=O)[C@@H](C)OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	744475535	ZQKRGMAIHKGVGT-LLVKDONJSA-N	400.814	3.614	10	20	HHCD	
CCOc1ccccc1Oc1ccc(CNC(=O)NCc2cccc(OC)c2O)cn1	745650863	YXYDXRZTDHVKPE-UHFFFAOYSA-N	423.469	3.986	10	20	HHCD	
Cc1cc(CC(=O)OCC(=O)NCC(F)(F)F)c(C)n1-c1ccc(Cl)cc1	749986183	WCSJQUVBHKCSDE-UHFFFAOYSA-N	402.800	3.512	10	20	HHCD	
COCCc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1	917898085	UMMPUKCYUAHVCN-UHFFFAOYSA-N	422.503	3.948	10	20	HHCD	
C[C@@H]1CCc2c(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)csc2C1	917833146	MIBCWMWAXCUXRD-NVXWUHKLSA-N	411.571	3.505	10	20	HHCD	
O=C(CCc1nc(-c2ccccn2)no1)N(Cc1ccco1)Cc1ccccc1O	743429781	YPUOJEHOVOPDPD-UHFFFAOYSA-N	404.426	3.592	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(N2CCOC2=O)cc1	746725626	GZBSDSNJNDNRIZ-INIZCTEOSA-N	408.502	3.586	10	20	HHCD	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1	914578548	YQLKWIQYXOFWPE-UHFFFAOYSA-N	419.440	3.556	10	20	HHCD	
COc1ccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-]	918128786	WYTNGNKXHMBLMG-UHFFFAOYSA-N	412.490	3.935	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)Cc1ccccc1-2	919730270	WFGGIIGEDLSUOY-UHFFFAOYSA-N	420.534	3.573	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O	745829599	YQZMATCOHQIRCP-IBGZPJMESA-N	414.937	3.709	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)CCCN4C)C2)cc1	746813650	XMPQVTMTUDVHTK-QFIPXVFZSA-N	405.542	3.546	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H]3SCCc4ccccc43)CC2)cc1	749611453	ILFBQRCWHDRKQZ-JOCHJYFZSA-N	411.571	3.948	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccccc3OCC3CC3)CC2)cc1	740062275	OARHUKRAQXQRCT-UHFFFAOYSA-N	409.530	3.952	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	751137367	QNDVAXDOOZIQSW-UHFFFAOYSA-N	421.490	3.842	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](O)c1c(F)cccc1F	752868773	WVHOJHGRJXEFFA-FPOVZHCZSA-N	403.473	3.876	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C(=O)Nc2ccc(Cl)cc2)cc1	751405206	JKLPQBSSRLWDTI-HXUWFJFHSA-N	415.921	3.552	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(F)c(F)c1	751946208	XSSXMDXEZMGITA-NSHDSACASA-N	417.437	3.778	10	20	HHCD	
CCN(CC)c1ccc(-c2nc3cc(S(C)(=O)=O)ccc3n2CCOC)cc1	758487477	QWCZCEAGLDPAEN-UHFFFAOYSA-N	401.532	3.599	10	20	HHCD	
Cc1ccnc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1	756165084	TXQFKLYHMPGIAE-UVTDQMKNSA-N	419.553	3.571	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC(F)F)cc1	920866441	CMNLRECCXLHUJU-HOTGVXAUSA-N	419.472	3.802	10	20	HHCD	
COc1cc(N2CCN(C(=O)CCCSC(C)(C)C)CC2)cc(OC)c1OC	759240547	ZBICQYVTFPKBGA-UHFFFAOYSA-N	410.580	3.673	10	20	HHCD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754547773	JSHPNIICYCLRJB-CYBMUJFWSA-N	401.466	3.630	10	20	HHCD	
C[C@H](NC(=O)NCCCNc1cccc(F)c1)c1ccc(N2CCOCC2)cc1	753126535	GWGOAVMBDIRHPD-KRWDZBQOSA-N	400.498	3.525	10	20	HHCD	
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(C)c2ccc(OC)c(F)c2)c1	757851233	GGSKNJMNZJOZBQ-IBGZPJMESA-N	402.466	3.651	10	20	HHCD	
C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cc2c(cc1O)CCCC2	756480689	TYLKSJKTQKYLPS-LJQANCHMSA-N	410.558	3.833	10	20	HHCD	
C[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Br)cc1O	756355602	SUYSEFPNAFDRSQ-XJKSGUPXSA-N	411.365	3.940	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C)Sc3ccccn3)cc2F)C[C@@H](C)O1	754225055	OVNJAAZLEXNPMO-BZUAXINKSA-N	403.523	3.631	10	20	HHCD	
CCc1c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cnn1CC(C)C	757164185	NQOHZIFJUMBDPY-UHFFFAOYSA-N	424.501	3.568	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(Br)cc1O	756776253	AKBOLXBJXPUBNB-KDOFPFPSSA-N	403.320	3.997	10	20	HHCD	
COc1cccc(SCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	768916705	SMQDVGIIDBLZCH-QGZVFWFLSA-N	420.962	3.927	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1[N+](=O)[O-]	768911493	DRPAQOKHDCVGRY-KRWDZBQOSA-N	403.866	3.657	10	20	HHCD	
Cc1ccccc1-n1ncc(C(=O)NCc2cccc(Br)c2O)c1C	765748584	WZSWGLDHQHDBLA-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC[C@@H](C2CC2)C1	764561897	OVKDTWKGILINBT-DSQDWWTGSA-N	406.598	3.988	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c(C)n1-c1ccccc1	766946937	HKZMUAMYNCHBRT-GGAORHGYSA-N	406.530	3.598	10	20	HHCD	
C[C@@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1Cl	765073120	HKBPMYMQVKTVBW-HUUCEWRRSA-N	405.892	3.711	10	20	HHCD	
Cc1cc(-c2nnc(CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)o2)c(C)n1-c1ccccc1	1117165262	PWRQVRBEPUBVTO-OALUTQOASA-N	418.497	3.862	10	20	HHCD	
O=C(Nc1ccnn1CC1CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	776027858	QGABCZDSSADBIN-OAHLLOKOSA-N	405.449	3.685	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1	773740713	OICYNBXWIOJAIX-YJBOKZPZSA-N	414.502	3.801	10	20	HHCD	
COc1ccc(O)c(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1	776002950	WKQXLVMKKQSHAO-GOSISDBHSA-N	408.420	3.873	10	20	HHCD	
O=C(NC[C@H]1COC2(CCCCCC2)O1)N(Cc1ccccc1O)C[C@H]1CCCO1	777764696	SNXLSBGKSVZVSJ-UXHICEINSA-N	418.534	3.549	10	20	HHCD	
Fc1cc(CN2CCC3(CC2)OCCc2ccsc23)ccc1N1CCOCC1	779164021	TZACIRDGXFUTJL-UHFFFAOYSA-N	402.535	3.788	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773627452	XVBZCXJMUKPKMF-SJORKVTESA-N	404.555	3.760	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccccc1COC	778629913	BBQGOSCBWMOMNF-UHFFFAOYSA-N	414.321	3.512	10	20	HHCD	
CC[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Br)ccc1O	775533365	ZYZFHIFHMCDMCN-QGZVFWFLSA-N	404.308	3.654	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1F	776127405	QJKOUNZBGRVIHM-IBGZPJMESA-N	409.864	3.967	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1	784027839	NTBCTCVJFKQBCR-KRWDZBQOSA-N	406.486	3.575	10	20	HHCD	
CN1CCN(c2ccc(CNc3cc(Br)cc(C(=O)O)c3)cc2)CC1	789901892	GNMQHOLCMAZUGA-UHFFFAOYSA-N	404.308	3.511	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1	796499998	COCXUQDQTSKQLI-UHFFFAOYSA-N	408.951	3.585	10	20	HHCD	
CN(C)c1ccc(CN[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(C(F)(F)F)c1	792996924	JCXYPXGLUDIALQ-KNQAVFIVSA-N	421.507	3.744	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1NCc1ccc(N2CCCC2)cc1	796696030	ROSUVSAIJGAQKQ-WMQCIHAUSA-N	403.567	3.695	10	20	HHCD	
COc1cc(N2CCN(CCSCc3ccccc3)CC2)cc(OC)c1OC	790337400	HVKODPHPMGNYER-UHFFFAOYSA-N	402.560	3.768	10	20	HHCD	
C[S@](=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	1320638015	OMCUDJZQEYAPSR-NDEPHWFRSA-N	412.477	3.569	10	20	HHCD	
Cc1ccn(-c2cccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2)n1	1251330814	SYBOEQHORYAURO-HDICACEKSA-N	422.504	3.863	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)[C@@H](C)S(C)(=O)=O)n2)c(C)n1-c1ccc(F)cc1	107762379	WORTWXLUAYKGDB-CYBMUJFWSA-N	421.519	3.728	10	20	HHCD	
C[C@@H](Cc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)o1)c1ccccc1	302704711	WWEBDRTYTUGDMQ-INIZCTEOSA-N	410.543	3.890	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[S@@](=O)Cc1ccccc1	303919823	TVZUMRBQPSJYCM-GDLZYMKVSA-N	413.587	3.767	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)ccc21	491137768	MUEBZBBKFCHHFL-PGRDOPGGSA-N	402.560	3.689	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)ccc21	491137771	MUEBZBBKFCHHFL-XMSQKQJNSA-N	402.560	3.689	10	20	HHCD	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)cc21	587325647	JOKDUSIWPODMML-UHFFFAOYSA-N	421.432	3.699	10	20	HHCD	
Cc1oc(-c2ccsc2)nc1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	726933904	YUKVKIMSNDSGDS-UHFFFAOYSA-N	411.527	3.749	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)ccc1OC	726986459	QEMAWEXGSIYZLY-MHWRWJLKSA-N	402.497	3.903	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1	727250699	PFUMECSJOYFZLB-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)c1	729039693	QLVYLUGIQHQCBL-CQSZACIVSA-N	413.474	3.528	10	20	HHCD	
Oc1ccc(-c2ccccc2)cc1CNCCCCN1CCN(c2ncccn2)CC1	729679115	DENYJNYOBAZTNS-UHFFFAOYSA-N	417.557	3.541	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(N4CCOCC4)c(F)c3)cc2)CC1	731015229	UETLDACEGZZKIB-UHFFFAOYSA-N	411.521	3.829	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3SCC(N)=O)cc2)CC1	731109931	TXUUEABWFRSMBH-UHFFFAOYSA-N	412.559	3.822	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(F)cc([N+](=O)[O-])c1	731457036	FTHUQPSPBLVDOF-UHFFFAOYSA-N	409.364	3.734	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c1	734064789	LFHZOBYVMRPAPT-UHFFFAOYSA-N	417.509	3.963	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	735112772	JSNOAWUSDBYYIJ-QGZVFWFLSA-N	418.488	3.774	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Br)ccc2F)cc1	737125810	DBROBGYIOXNGMM-UHFFFAOYSA-N	422.298	3.689	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)N1CCCCC1)c1ccccc1	741737359	VORBACVSXVDEIL-DEOSSOPVSA-N	407.558	3.709	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2ccc(OCC(F)(F)F)cc2)SC1=S	742576120	XNNGMKMLCCQIII-XYOKQWHBSA-N	405.419	3.694	10	20	HHCD	
Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)C2	742804647	AADYTAHSFBDTJW-LAUBAEHRSA-N	416.468	3.994	10	20	HHCD	
Cc1cc(C(=O)N2CCC(OCCN3CCCC3)CC2)c(C)n1-c1ccc(F)cc1	744760625	VZWWIPYQOFOAIS-UHFFFAOYSA-N	413.537	3.950	10	20	HHCD	
O=C(NCC[C@@H](O)c1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903623	IEFITNLTWGHCMS-YLJYHZDGSA-N	419.472	3.680	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C4CCOCC4)CC3)c2C)cc1F	747843691	DCLMZAWHIXPEOC-UHFFFAOYSA-N	413.537	3.521	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1O	748050956	JCPRFUBJRBAUIF-UHFFFAOYSA-N	407.297	3.860	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC(C)(C)c3noc(CN(C)C)n3)c2C)c1	749371634	NLIDVHWGQPMQIX-UHFFFAOYSA-N	409.534	3.821	10	20	HHCD	
O=C(NCc1ccco1)[C@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1O	753536202	GFAUOHAMVIEJKJ-JOCHJYFZSA-N	406.482	3.845	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c(C)n1-c1ccc(Cl)cc1	753710778	YFNSRFYINPBCQH-PMACEKPBSA-N	420.962	3.929	10	20	HHCD	
CCOc1cccc([C@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	753883583	FXQJEFRZPPVWNI-INIZCTEOSA-N	401.482	3.826	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)ccc1[N+](=O)[O-]	759162338	WUUSUZNEQXEDCI-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	760897906	IAGBPJPBZSMFNZ-AXUOBQJMSA-N	409.477	3.514	10	20	HHCD	
CN1C(=O)N(Cc2ccc(N3CC=CC3)cc2)C(=O)[C@@H]1c1cc(F)c(F)c(F)c1	761378795	IWIGBBMCOZIIPW-IBGZPJMESA-N	401.388	3.615	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)c(C)n1-c1ccccc1	763262378	LAPDQGNGOLXMLG-UHFFFAOYSA-N	403.486	3.638	10	20	HHCD	
COc1ccc(Cl)cc1NCCC(=O)NCc1cccc(Br)c1O	765727342	MDLACCVHIABGAN-UHFFFAOYSA-N	413.699	3.935	10	20	HHCD	
CCOC(=O)c1ccc(N2CCCN(Cc3cc4c(cc3O)CCCC4)CC2)nc1	768447213	NMKNQZKMLXCCGS-UHFFFAOYSA-N	409.530	3.555	10	20	HHCD	
COC1(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCCC1	773186138	DBCKJXPKFRXWAQ-IBGZPJMESA-N	419.566	3.784	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cc(F)ccc2F)cs1)c1cnn(CC(F)(F)F)c1	775139506	HEPHYMKXBRKOKD-UHFFFAOYSA-N	424.376	3.648	10	20	HHCD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(Cl)cc(F)c1O	775643621	SXPJSMLJNHOJHC-KRWDZBQOSA-N	423.868	3.864	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN[C@@H]3CCCCC3(C)C)cc2F)C[C@@H](C)O1	775683472	SZJKMDUWCRWGAF-CBGDNZLLSA-N	405.558	3.614	10	20	HHCD	
COc1ncc(/C=C\C(=O)N(CC(F)(F)F)c2ccc(Br)cc2)cn1	776315644	UIEGNRQSXYASJI-UQCOIBPSSA-N	416.197	3.856	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(Cl)ccc1OC[C@H]1CCOC1	777648536	UJHVHSPYQHPSLM-NSHDSACASA-N	418.298	3.915	10	20	HHCD	
CCOc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	782429234	UCZGLAHFNBJNJL-UHFFFAOYSA-N	421.497	3.912	10	20	HHCD	
COC(=O)c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1C	782897198	ZIEVETKBCBHKQD-UHFFFAOYSA-N	424.497	3.787	10	20	HHCD	
COc1cc(N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]3C2)c([N+](=O)[O-])cc1OC	784219677	HGSYNFGPTBRCTK-ZNMIVQPWSA-N	421.494	3.742	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC([C@@H]2CCCO2)CC1	784542224	QQNPEJDKBDWUKP-PXNSSMCTSA-N	423.504	3.857	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	787510682	JKWKKYIMCGYYKQ-HNNXBMFYSA-N	422.437	3.946	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1	787545004	USNGXELTGMFJAP-KXXOPMGUSA-N	417.461	3.754	10	20	HHCD	
COc1ccc(F)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1OC	788168113	AEGLQFPKZDGFBQ-OKILXGFUSA-N	420.456	3.526	10	20	HHCD	
COc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(-n2cccn2)c1	791969713	PLLYNYPDHKTTAO-FQEVSTJZSA-N	422.485	3.800	10	20	HHCD	
Oc1c(Br)cccc1CNCCCCn1cc(Br)cn1	793206187	CGJLNWSXXHCUCZ-UHFFFAOYSA-N	403.118	3.684	10	20	HHCD	
CCOc1cccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)c1	793829098	NKOYPHXGRUAAIR-MRXNPFEDSA-N	415.509	3.564	10	20	HHCD	
Cc1sc(Br)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1C	799411806	JLQMMKWTRJDMQX-UHFFFAOYSA-N	409.349	3.894	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CN[C@H](Cc3ccc(F)cc3)C(N)=O)cc2Cl)C1	799979520	HBKJBLKNYIQJEH-MGPUTAFESA-N	403.929	3.902	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](S(C)(=O)=O)CC3)c2C)cc1F	800457518	XHGHFVHYVCOREX-LJQANCHMSA-N	420.550	3.623	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCOC2(CCOCC2)C1	802063408	CDGZIPSPQJUESO-UHFFFAOYSA-N	421.545	3.758	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1	802474936	VQRUKJMDUGDQDH-OAQYLSRUSA-N	409.530	3.548	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Br)c1Cl	802550280	UFFITJNOTPSNNX-UHFFFAOYSA-N	424.726	3.766	10	20	HHCD	
CC1CCN(c2ccc(CNc3cc(S(=O)(=O)N4CCCC4)ccn3)cc2)CC1	804442541	ZZMHLSVGTQGUFS-UHFFFAOYSA-N	414.575	3.715	10	20	HHCD	
COc1c(Cl)cccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807513025	PSIFZTQRXILGGM-UHFFFAOYSA-N	403.649	3.616	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)c1	808902437	SHVKGWKEKYNLHZ-GFCCVEGCSA-N	423.872	3.913	10	20	HHCD	
COCCOCC(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1	811968798	OHSLOKZDEYAUGS-UHFFFAOYSA-N	403.479	3.958	10	20	HHCD	
OC[C@H](NCc1cccc(Br)c1O)c1ccc(Br)c(F)c1	813792754	WNZWASITRDKRSM-AWEZNQCLSA-N	419.088	3.880	10	20	HHCD	
CCOC(=O)c1ccn(-c2cccc(CNCc3cc(Cl)c(F)cc3O)c2)n1	816611871	ZFZVRYUKZYVNDN-UHFFFAOYSA-N	403.841	3.837	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C/c3ccc(-n4cncn4)c(F)c3)SC2=S)c1	824021696	LEKQMBDBJXOMGZ-IUXPMGMMSA-N	412.471	3.821	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)c2C)c1	873038033	KDRYRHXOSZMPJO-UHFFFAOYSA-N	403.530	3.802	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccn1	914905499	IMJVKHLTBWDTKI-HNNXBMFYSA-N	408.414	3.581	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cc1	916502841	NPXCDXGXZFXXCL-UHFFFAOYSA-N	408.502	3.840	10	20	HHCD	
CCCCN(Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O)CC(F)(F)F	917451620	XXLZTAPYFIUGMD-UHFFFAOYSA-N	402.457	3.591	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccn(-c4ccccc4)n3)cc2F)C[C@@H](C)O1	918029011	VPQDQWXOTDAPCV-IAGOWNOFSA-N	423.492	3.947	10	20	HHCD	
O=C(Nc1ccc(N2CCOC2=O)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	918051895	GHUOAKFKJBZNEJ-LJQANCHMSA-N	411.458	3.562	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-c2ccnc(C)n2)c1	918303868	LVVXFLAYIFZYJV-UHFFFAOYSA-N	417.513	3.505	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC(F)F)cc1	920866439	CMNLRECCXLHUJU-CVEARBPZSA-N	419.472	3.802	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	921280665	IPCKTPIEMDJLMC-HUUCEWRRSA-N	401.438	3.586	10	20	HHCD	
COc1cc(N2CCN(Cc3ccccc3N3CCCC3)CC2)cc(OC)c1OC	1116603344	MFTCBVDRLJOOHF-UHFFFAOYSA-N	411.546	3.635	10	20	HHCD	
C[C@H](NCc1ccccc1N1CCN(C)CC1)c1cc(Br)cc(F)c1O	1320249319	YAZFVWMAYASBKI-AWEZNQCLSA-N	422.342	3.896	10	20	HHCD	
COC(=O)C1(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CCSCC1	1320445985	QOOAWSVJKDHLTB-UHFFFAOYSA-N	406.935	3.916	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(OC)c3Br)CC2)cc1	1321307784	IJMWFLXKESVSIB-UHFFFAOYSA-N	420.307	3.820	10	20	HHCD	
O=C(NCc1cc(OCC(F)F)ccn1)NCc1cc(Cl)cc(Cl)c1O	1323713484	YWFCLRNLSQXDDH-UHFFFAOYSA-N	406.216	3.737	10	20	HHCD	
Cc1cc(CCNC(=O)N(C)Cc2ccc(C(N)=O)cc2)c(C)n1-c1ccccc1	1329947905	QRIVZVYPEHUJKU-UHFFFAOYSA-N	404.514	3.577	10	20	HHCD	
CS(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c([N+](=O)[O-])c1	52429077	TXSRRBTYYHYJEK-UHFFFAOYSA-N	415.446	3.912	10	20	HHCD	
COc1ccc(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)cc1F	545528056	LJIPNXVJNRBVEA-UHFFFAOYSA-N	423.469	4.000	10	20	HHCD	
CCc1oc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C(=O)OC	802644018	BCIYNMSZMWAEOA-UHFFFAOYSA-N	408.445	3.989	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](Cn3ccccc3=O)c3ccccc3)CC2)cc1	800507396	XHNYYMHJIIXBOQ-DEOSSOPVSA-N	403.526	3.857	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnc(C3CCCC3)nc2N)cc1	806382800	WTNUPUZCQZGWDH-HXUWFJFHSA-N	423.561	3.604	10	20	HHCD	
CCC(=O)Nc1ccc(C)c(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	804221198	JAYRFBCWAAEUSF-UHFFFAOYSA-N	401.850	3.671	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1	801550219	RWCNNNOPKYRGIR-UHFFFAOYSA-N	408.420	3.970	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2cccc(Cl)c2)cc1F	804853270	VNCUMIHYQIGUPD-UHFFFAOYSA-N	405.901	3.600	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cnn(C)c4)s3)SC2=S)cn1	800793863	WVAAFXXOWJFHGZ-CHHVJCJISA-N	414.537	3.958	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C(C)(C)C1	800893520	NSLWDAUREVOOTD-FQEVSTJZSA-N	421.557	3.788	10	20	HHCD	
C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCN(C)C(=O)C3)c2C(=O)OC(C)(C)C)C1	801710406	KLSHVYYIBQZNTO-QWHCGFSZSA-N	406.548	3.635	10	20	HHCD	
CN(C)CCOc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	808112689	IGIQWRXYBOTSNK-CXUHLZMHSA-N	407.558	3.897	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c(F)cc1C	815016871	BIKLOKHWOYHKEX-UHFFFAOYSA-N	421.490	3.760	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cc(F)ccc3Cl)cc2)C1	728122666	VQRJBSDNTHRHQW-AWEZNQCLSA-N	404.873	3.503	10	20	HHCD	
O=C(Nc1nncs1)C1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1	726960476	BEWVFEIMDFJYJA-UHFFFAOYSA-N	408.483	3.994	10	20	HHCD	
Cc1csc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	726705996	XOWPLQCOWLHSLI-UHFFFAOYSA-N	410.490	3.564	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3ccccc3C(F)(F)F)cc2F)CC1	730194762	PCVGSXMZBRPFNW-UHFFFAOYSA-N	423.454	3.845	10	20	HHCD	
COc1cc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)cc(OC)c1OC	734520147	DJZLYFOPBICYFG-HNNXBMFYSA-N	401.507	3.647	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1	734016962	RLXYVUYGOLBJNS-UHFFFAOYSA-N	417.465	3.646	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCCN(c4ccccc4)C3)CC2)cc1	734675017	ABYKVBUIJPEBOH-FQEVSTJZSA-N	408.546	3.586	10	20	HHCD	
O=C(c1cc(F)cc2nc(S)[nH]c12)N(Cc1ccccc1O)C[C@H]1CCCO1	735517034	GDPFUGPXTJKQJJ-CQSZACIVSA-N	401.463	3.518	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)CC1	731048496	LYHMSRVIFNVGPP-QHCPKHFHSA-N	406.574	3.997	10	20	HHCD	
COCC(=O)Nc1cccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731049614	GILSWGDAUJJYSH-UHFFFAOYSA-N	424.545	3.507	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1	918034314	NFOBEDCHRIKFKV-UHFFFAOYSA-N	418.906	3.615	10	20	HHCD	
Cc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1S(N)(=O)=O	743161383	HDTFNHBBVHLMCG-UHFFFAOYSA-N	417.531	3.715	10	20	HHCD	
CCc1noc([C@@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)n1	744475462	WLSPHKWZWSTCBN-SNVBAGLBSA-N	410.813	3.979	10	20	HHCD	
CSCc1noc(CCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1	746821270	NRKVKBIZXRSEEP-UHFFFAOYSA-N	402.564	3.951	10	20	HHCD	
CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	915268988	LSFQPTVUCCSJAU-UHFFFAOYSA-N	416.543	3.552	10	20	HHCD	
Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	742798257	LFRZXFTVAKTQAR-DLBZAZTESA-N	406.477	3.838	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(Br)c1	919970378	YLUHJVNREDRYTH-UHFFFAOYSA-N	409.349	3.649	10	20	HHCD	
CCN(CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1Cl	915218956	KVQIJFMLRGRDPZ-UHFFFAOYSA-N	415.965	3.657	10	20	HHCD	
CCN(CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1C	916513679	KYMSQKFOLVIJDP-NRFANRHFSA-N	411.546	3.918	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1	743047177	UBFNPYPMUBEUOF-UHFFFAOYSA-N	401.532	3.851	10	20	HHCD	
COC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	742802220	WPDFFQQJOZIPJX-LBPRGKRZSA-N	410.442	3.535	10	20	HHCD	
O=C(NCCCNc1ccc(C(F)(F)F)cn1)NCc1ccc(N2CC=CC2)cc1	740906596	GRFZDKPLXFNXCM-UHFFFAOYSA-N	419.451	3.778	10	20	HHCD	
COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1	755738271	XOGQYPHJGUYWRU-UHFFFAOYSA-N	423.541	3.779	10	20	HHCD	
C[C@@H](NC(=O)NC1CCC(N2CCCCC2)CC1)c1ccc(N2CCOCC2)cc1	751088206	SGOYDOTXJASLHQ-VWRAKTAISA-N	414.594	3.681	10	20	HHCD	
Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(O)c1	751058530	DCICFGXPJYFKIO-UHFFFAOYSA-N	404.469	3.521	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC2)cc1F	753731434	NQAHDFBXZPIUEE-UHFFFAOYSA-N	423.529	3.566	10	20	HHCD	
Cc1cc(C(=O)CN2CCc3c[nH]nc3C2)c(C)n1-c1ccc(OC(F)F)cc1	750719675	DJMBMKIXFSWZAS-UHFFFAOYSA-N	400.429	3.660	10	20	HHCD	
COc1cc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1SC	765250693	CQQAWSYUQCJIAL-QFBILLFUSA-N	413.587	3.970	10	20	HHCD	
CCCOCc1ccccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761123316	GYIIHCZTMPSZDC-UHFFFAOYSA-N	402.878	3.937	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NC3CCN(Cc4ccccn4)CC3)CC2)cc1	765640290	IVMLZZPFLOAMDE-UHFFFAOYSA-N	416.516	3.906	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1	760040058	SBBFVIAXTSAUPK-GNOCETLISA-N	401.478	3.742	10	20	HHCD	
CO[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccc(Cl)cc1	761451125	SVXQYFQRDFYVGU-KRWDZBQOSA-N	409.269	3.851	10	20	HHCD	
O=C1C[C@@H](c2ccc(NCc3ccc(OCc4ccccc4)cc3O)cc2)NC(=O)N1	864044606	FQWNHCYSTYJAFP-NRFANRHFSA-N	417.465	3.854	10	20	HHCD	
O=c1ccc([N+](=O)[O-])cn1CCSc1ncc(-c2ccccc2)n1CC(F)(F)F	762195161	KSXITBUGFGLZTQ-UHFFFAOYSA-N	424.404	3.975	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1	766416372	JQROIEGHWRLVIV-MRXNPFEDSA-N	417.937	3.865	10	20	HHCD	
CCOc1cc(Br)c(CC(=O)NCc2ccc(O)c(O)c2)cc1OCC	778928073	ZKRMOFZCQFPEOM-UHFFFAOYSA-N	424.291	3.517	10	20	HHCD	
CCOC(=O)N1CCC([C@@H](C)NC(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1	779673870	QAKGOQJVUCQBEN-QGZVFWFLSA-N	404.555	3.541	10	20	HHCD	
CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(F)c1Cl	776748738	DVLQIBHFFGCCFF-UHFFFAOYSA-N	411.213	3.736	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776238669	JWPQCTWBAXWWNT-UWJYYQICSA-N	424.545	3.943	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)c1ccc(N(C)C)cc1	773622688	HREAUQPJSLQEOW-UGSOOPFHSA-N	406.324	3.609	10	20	HHCD	
C[C@H](NC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	775407295	RLIBHGLTLVFYOF-ZDUSSCGKSA-N	415.950	3.831	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1	775258767	AWBJTNZIUZVQAA-INIZCTEOSA-N	417.937	3.783	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775701469	XXYBHPXVUJAYHP-PZJWPPBQSA-N	416.610	3.564	10	20	HHCD	
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	773987932	HOUHBYZXXDHLLZ-CYFREDJKSA-N	415.537	3.971	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1O	774982183	DEJRUGJMTGWNEX-LBPRGKRZSA-N	400.410	3.793	10	20	HHCD	
O=C1N[C@H](c2cc(Cl)c3ccccc3c2O)Nc2ccc(N3CCOCC3)cc21	774546030	GHXCENLWESEPBL-OAQYLSRUSA-N	409.873	3.890	10	20	HHCD	
C[C@H](NC(=O)N1CCN(C(=O)CC2CCCCC2)CC1)c1ccc(N(C)C)cc1	776239121	RDNWTHGTNVIYBL-SFHVURJKSA-N	400.567	3.638	10	20	HHCD	
CS(=O)(=O)c1ccc(CNCc2ccc(OCc3ccccc3)cc2O)s1	787427015	UNWDEPZXBVQCSZ-UHFFFAOYSA-N	403.525	3.726	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	780620658	HKCYCVAWOMXCPM-SJLPKXTDSA-N	404.555	3.902	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1N(C)C	783318126	UKJLSHAUFMNRQJ-UHFFFAOYSA-N	416.953	3.848	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	789459272	PJXYETHUXKXLQF-NRFANRHFSA-N	405.498	3.702	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c(Br)c1	794682563	XIWWMSJTINPCES-AWNIVKPZSA-N	411.302	3.847	10	20	HHCD	
COc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)NC1CC1	796427495	ILWONCQLHYICFN-UHFFFAOYSA-N	415.559	3.738	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	797750789	KUWRMWBRPAFOTA-FOIQADDNSA-N	414.502	3.719	10	20	HHCD	
COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c(O)c1	794371006	VAHMRNNEQBQKDM-QGZVFWFLSA-N	423.296	3.629	10	20	HHCD	
CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(O)c3O)c2)c1	794107076	BBJBMIABZQTYQL-UHFFFAOYSA-N	420.421	3.779	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c1	1328176950	HPHGWMGLGJBMKQ-OAHLLOKOSA-N	408.951	3.785	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCC(=O)N1CCN(c2ccc(F)cc2)CC1	1337786814	YWBSTHVIIQNEEE-FXAWDEMLSA-N	411.521	3.717	10	20	HHCD	
CC(=O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1845398078	WPGOAODGLCRLKP-UHFFFAOYSA-N	421.541	3.526	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(c2ccccc2F)CC1	7105681	BBCUPTLBNJKRQJ-UHFFFAOYSA-N	410.518	3.667	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1F	51714442	SJTLNZUYFSAFTJ-LJQANCHMSA-N	403.473	3.922	10	20	HHCD	
Cc1cc(Br)cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	327963492	MLYMEJJBESGEKN-UHFFFAOYSA-N	407.283	3.663	10	20	HHCD	
Cc1c(CNC(=O)c2ccc(I)c(O)c2)n(C)c2ccccc12	473261189	JICKYXQQJRGWSD-UHFFFAOYSA-N	420.250	3.727	10	20	HHCD	
COCCCOc1cccc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)c1	726986806	YKGVCRDFJWDARQ-ATVHPVEESA-N	416.524	3.911	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2ccccc2Cl)C1=O	732241654	ODTSNONHXOODKU-IBGZPJMESA-N	412.921	3.545	10	20	HHCD	
CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	732632139	MSMHWRYVKFILJB-QHCPKHFHSA-N	407.558	3.771	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1	734406253	SVVRAXPBPXQZPN-UHFFFAOYSA-N	419.978	3.945	10	20	HHCD	
Cc1ccn(-c2ccc(NC3CCN(c4ccc(OC(F)F)cc4)CC3)nn2)n1	737406906	YWJQLUWIPQPOGM-UHFFFAOYSA-N	400.433	3.653	10	20	HHCD	
CCOC(=O)c1sc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1C	738920030	YXCABRUODKYVAK-UHFFFAOYSA-N	417.531	3.986	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1	739811659	CELAUYSPNZXGBN-INIZCTEOSA-N	407.495	3.613	10	20	HHCD	
CCO[C@H](C)c1noc(CN(C)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1	742734670	HZOXTCYBSSYDCB-OAHLLOKOSA-N	400.454	3.986	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CCC(F)(F)F)NC(=O)OC(C)(C)C)cc1	742751965	YHTHELILLSEJKV-HNNXBMFYSA-N	403.445	3.777	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)NC(=O)OC(C)(C)C)cc1	742754296	OOOOBRWWUGFNAK-LJQANCHMSA-N	401.482	3.888	10	20	HHCD	
COc1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F	742800287	QJZLRYDZRBXKJX-OAHLLOKOSA-N	408.420	3.763	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1	745435866	RPDSRLCEHYJCLX-UHFFFAOYSA-N	419.485	3.668	10	20	HHCD	
CC(C)CO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)n1	745837020	JDRXNEKTMVCIQP-QGZVFWFLSA-N	413.522	3.521	10	20	HHCD	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	746820216	AOUYALGKYSGRFH-CYBMUJFWSA-N	423.391	3.941	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnc3c(cnn3C)c2)cc1	747387078	VQTRCMUFXNYTLA-UHFFFAOYSA-N	415.497	3.890	10	20	HHCD	
CC(=O)c1cccc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	750875521	UXUYTQSGZAVIRU-YADARESESA-N	424.541	3.930	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(Cc2ccccc2)s1	755087124	ZHZNPPRAOONOKQ-UHFFFAOYSA-N	407.539	3.843	10	20	HHCD	
C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)c(F)cc1O	756355727	RVAKLRRKTQDBLJ-GDBMZVCRSA-N	423.326	3.845	10	20	HHCD	
C[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cc(F)ccc1O	756606781	BKOCQKOHZXMIFK-CQSZACIVSA-N	412.552	3.661	10	20	HHCD	
C[C@@H]1C[C@H](NCCCC(=O)N2CCN(c3ccccc3)CC2)c2c(O)ccc(F)c21	756730096	LGPHWPDUCKHOCT-XLIONFOSSA-N	411.521	3.798	10	20	HHCD	
COC(=O)c1sc2[nH]c(CN(C)c3ccc(OC(C)C)cc3)nc(=O)c2c1C	759934476	WKNXVIWUSOFTNB-UHFFFAOYSA-N	401.488	3.503	10	20	HHCD	
CC[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CN(Cc2ccccc2)CCO1	760898356	KIBQDLCRLCMLIE-ZEQRLZLVSA-N	424.589	3.574	10	20	HHCD	
O=C(CCCCNC(=O)OCc1ccccc1)NCc1c(O)ccc2c1CCCC2	761570034	XMKPKRMPESZUIP-UHFFFAOYSA-N	410.514	3.984	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4c(F)cccc43)cc2F)C[C@H](C)O1	764685625	RVLUXFQVWSPSRB-GJZGRUSLSA-N	401.457	3.851	10	20	HHCD	
O=C([C@@H](Cc1ccccc1)NCc1cc(-c2ccccc2)ccc1O)N1CCOCC1	764979028	CFWMVQXLEKYXDZ-XMMPIXPASA-N	416.521	3.619	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cccnc1Br	765316906	QBZACTQAOJMFPL-UHFFFAOYSA-N	401.058	3.634	10	20	HHCD	
O=C(Cc1cc(Br)ccc1F)NCc1cccc(Br)c1O	765729628	QQASCNFGQVIAHB-UHFFFAOYSA-N	417.072	3.915	10	20	HHCD	
COc1ccc(O)c(CNCc2cc(Br)cc(Br)c2N)c1	765927304	PDHGGZIOMBRNRP-UHFFFAOYSA-N	416.113	3.798	10	20	HHCD	
CCOc1ccccc1OCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768914052	CBEYVQYQNLYWSD-GOSISDBHSA-N	418.921	3.604	10	20	HHCD	
C[C@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	769905748	XRWJVSRCXUMGQJ-GJZGRUSLSA-N	414.461	3.845	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCCC4=O)cn3)c2C)cc1	772174747	UEJPECVCPHCZOA-UHFFFAOYSA-N	404.470	3.877	10	20	HHCD	
CN(Cc1cc(Br)cc(Br)c1O)C[C@H]1CCCC[C@H]1O	779154604	WQDRNMGWSXXNDG-QMTHXVAHSA-N	407.146	3.900	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	781375246	GLJJOSONSOLJKE-OAQYLSRUSA-N	411.550	3.546	10	20	HHCD	
COc1c(Cl)cccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783318217	WGONUPWHLYTTGK-UHFFFAOYSA-N	403.910	3.790	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cc1	783643546	NWOZTPXMWHESAO-KRWDZBQOSA-N	417.351	3.593	10	20	HHCD	
Cc1cc(Br)cn2c(/C=C3/SC(N4CCCCC4)=NC3=O)cnc12	783699710	KSGQXAOUMQOCGZ-RIYZIHGNSA-N	405.321	3.861	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)C[C@@H](C)c3c[nH]c4ccccc34)CC2)cc1	784937958	OMRRWQCKHYVZPV-LJQANCHMSA-N	420.557	3.609	10	20	HHCD	
O=C(OCc1cccnc1Cl)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785408682	WLZXKQCPNVMCLW-UHFFFAOYSA-N	424.887	3.660	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CCCC3)cc2)CC1	786657460	YIEORLZGLVFYBN-UHFFFAOYSA-N	423.532	3.622	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3cnn(C(C)(C)C)c3C)CC2)cc1	786897065	WELYMYDLYJKOTP-LJQANCHMSA-N	413.610	3.818	10	20	HHCD	
O=S1(=O)CCC[C@H](CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)C1	792869538	CWTHFUDNISLZEI-BTZGUFSASA-N	413.539	3.802	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cnc1C	794017661	RXGHFJDDUMYIDX-UHFFFAOYSA-N	417.512	3.718	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)cnc1OCC1CC1	794854305	STIFCTAZPDTTBD-UHFFFAOYSA-N	418.335	3.971	10	20	HHCD	
Cc1cnn(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccc(F)cc1	795588527	VQLSXZRZNBTNIJ-UHFFFAOYSA-N	407.854	3.553	10	20	HHCD	
C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCC(=O)N2	796774452	FIKCUBGNACOBRE-HOCLYGCPSA-N	417.456	3.939	10	20	HHCD	
C[C@@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1	798000130	YUKHDYXUAMUEKM-GOSISDBHSA-N	419.566	3.787	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc1	801918948	CTGPYTQXBPQLCI-UHFFFAOYSA-N	406.889	3.703	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCOCC23CC3)sc(C)c1-c1ccccc1	801981349	UFBHKDMVLIYRTC-UHFFFAOYSA-N	414.527	3.704	10	20	HHCD	
Cc1cc(Br)cc(CN[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1O	802659366	RAARUAKJVOFMHT-QGZVFWFLSA-N	404.308	3.859	10	20	HHCD	
C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	806846495	QLCBETQSWPOSRY-QGZVFWFLSA-N	406.534	3.598	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807840331	ZCTFHQOMGALNBI-DJJJIMSYSA-N	415.317	3.962	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1)c1ccc(N(C)C)cc1	808936112	PZDZDWZGWPRJAC-MRXNPFEDSA-N	404.470	3.756	10	20	HHCD	
Cc1cc(Cl)cnc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	812965134	BXNLIRIFYGQUOH-UHFFFAOYSA-N	400.910	3.535	10	20	HHCD	
Cc1ccc(Br)c(C)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	814326964	GILQKFDYRRVZBG-UHFFFAOYSA-N	421.310	3.972	10	20	HHCD	
CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc(N(C)C)c(C)c3)CC2)cs1	815060275	RRPDYGMGTIXIAW-SFHVURJKSA-N	402.608	3.933	10	20	HHCD	
O=S(=O)(c1ccc(CNCc2cc(Cl)c(F)cc2O)cc1)N1CCCCC1	816529942	NASACRHFDMUFGT-UHFFFAOYSA-N	412.914	3.649	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3F)n2)cc1	916088994	RUQRQIXBSAJHOF-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cl)c4cccnc34)cc2)C1	917833969	FHGFUTQEAZLABF-INIZCTEOSA-N	422.916	3.520	10	20	HHCD	
CCOc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1	1253824901	HHZUHZPDQYMPSJ-UHFFFAOYSA-N	400.486	3.541	10	20	HHCD	
CN1CCN(c2ccc(CNc3nnc(Cc4cccc(F)c4)s3)cc2F)CC1	1319872514	YFAMEHCMYQBTIF-UHFFFAOYSA-N	415.513	3.771	10	20	HHCD	
Cc1cc([C@@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)o1	1323796626	MDYHIMCHMQSGFI-IXDOHACOSA-N	417.525	3.616	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCCCc2nc3ncccn3n2)c1	1342638831	VPUPPJTZNPWVMO-UHFFFAOYSA-N	409.877	3.975	10	20	HHCD	
CCC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)CCC1	1789203008	KOWOKTUCTRQUOQ-UHFFFAOYSA-N	409.486	3.821	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O	29006645	IIDOWILZVVCOFE-SFHVURJKSA-N	403.935	3.868	10	20	HHCD	
O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1ccc(N2CCCCC2)cc1	116034301	ARFLHQFPPIXDMR-UHFFFAOYSA-N	404.514	3.553	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	145644371	IVGCXKQJDRETRT-GOSISDBHSA-N	418.541	3.746	10	20	HHCD	
CCSc1nccnc1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1	438937585	ZAKYOEOAAVBXQT-UHFFFAOYSA-N	409.496	3.522	10	20	HHCD	
CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1	519998553	PKAPWXFCUPCRIV-UHFFFAOYSA-N	417.494	3.503	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O	725886875	RJGXJHNILSXISW-HXUWFJFHSA-N	404.466	3.514	10	20	HHCD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	726708745	QFFDJGCHMDIWBT-IAGOWNOFSA-N	424.536	3.676	10	20	HHCD	
COc1ccccc1[C@@H]1CCCN1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	727826535	QVBOZHZYRSRQKO-QHCPKHFHSA-N	424.541	3.773	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)cc1	728220764	JNIAZHBPSZCJOZ-HXUWFJFHSA-N	410.562	3.962	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2F)C[C@@H](C)O1	730119458	KZVHFIRGNQQSRH-YRNRMSPPSA-N	415.513	3.599	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3c[nH]c4cc(C)ccc34)cc2F)CC1	730194980	UQJVEWHAOMSXDI-UHFFFAOYSA-N	408.521	3.616	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3c[nH]cc3-c3ccccc3)cc2F)CC1	730234784	BKFXJYBPBJXSTE-UHFFFAOYSA-N	406.505	3.893	10	20	HHCD	
Cc1ccccc1[C@@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)NC(N)=O	731015221	TYPWYNPWSGJYHS-JOCHJYFZSA-N	408.546	3.647	10	20	HHCD	
COC1CCN(C(C)(C)CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	731048577	NMSSTDRBZKUPKW-UHFFFAOYSA-N	416.610	3.612	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1	731284327	PVLDEMWXBVDLHF-OAQYLSRUSA-N	411.502	3.632	10	20	HHCD	
COc1ccc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl	732917175	FZLJPZOVRWAIGA-YJBOKZPZSA-N	401.938	3.901	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3F)CC2)cc1	734865079	MLUXWSOVEMFXGU-FXAWDEMLSA-N	401.457	3.751	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NCc3nccn3CC(F)(F)F)C2)cc1	742385039	QRFFETDXYGQDSR-ZDUSSCGKSA-N	404.383	3.805	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NC(=S)Nc3ccc4c(c3)OCO4)C2)cc1	743015459	GXTZOPUUNRGMBJ-CQSZACIVSA-N	421.469	3.972	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1	743337109	QVNDWPKFKYKCOK-DNVCBOLYSA-N	414.502	3.887	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccncc1	743555222	SKZCKDWJIRYZDS-IBGZPJMESA-N	422.451	3.888	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccc(-n4cccn4)cc3)CC2)cc1	743711496	OPECTLDQBNDPPV-IBGZPJMESA-N	419.529	3.864	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC)c([N+](=O)[O-])c1	743807164	BIHZEQHBKKXTKX-UHFFFAOYSA-N	409.236	3.734	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CN(C)c1ccccc1[N+](=O)[O-]	743808952	JTDDQCWLRHPHGO-UHFFFAOYSA-N	422.279	3.548	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCn1cnc2ccccc21	745816080	SMGRZGFUSITCSR-UHFFFAOYSA-N	417.307	3.736	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H](OC1CCOCC1)c1ccccc1	746673810	JCISXTFRYDAPGW-FDDCHVKYSA-N	411.546	3.877	10	20	HHCD	
CCO[C@H](CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1	747498465	CBOBUVJTLHKTQC-PGRDOPGGSA-N	403.567	3.869	10	20	HHCD	
O=C(NCc1ccccc1O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1	748349409	GCDNCNYUELGASR-UHFFFAOYSA-N	422.915	3.838	10	20	HHCD	
O=S(=O)(/C=C/c1ccccc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1	751238767	CNGOGEGRANCCRA-SDNWHVSQSA-N	420.962	3.639	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc2nc(O)oc12	751843945	ZBZRVTYSJGXAEN-UHFFFAOYSA-N	403.385	3.534	10	20	HHCD	
COc1ccc(N(C)Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)c(OC)c1	752109406	GWEYFIVJMBGEFW-UHFFFAOYSA-N	402.451	3.583	10	20	HHCD	
CCN(Cc1ccccn1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	752361908	GZGAUZVTEVCPKS-CALCHBBNSA-N	400.498	3.566	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](O)c1c(F)cccc1F	752868780	WVHOJHGRJXEFFA-TZIWHRDSSA-N	403.473	3.876	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1	753636553	NLVMWDWTIPJVOU-PBPGXSGUSA-N	416.562	3.790	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3nc(-c4ccco4)sc3C)CC2)cc1F	753737787	KHIHJELQEBWFOP-UHFFFAOYSA-N	401.463	3.822	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OCC(C)C)c(OC)c3)CC2)cc1F	753739282	DDTJMQBJARRCME-UHFFFAOYSA-N	416.493	3.840	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(N)cn2)c(C)n1-c1ccc(F)c(Cl)c1	753887037	IMSWGQZMRYVJTL-UHFFFAOYSA-N	401.825	3.904	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@H](C2CCOCC2)C1	755077413	KGQODJZMZAGVRE-ZWKOTPCHSA-N	423.504	3.715	10	20	HHCD	
CCc1c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1CCC(C)C	755416529	KJUVAMWJJLVALV-UHFFFAOYSA-N	417.529	3.789	10	20	HHCD	
Cc1cc(CC(=O)NN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Cl)cc1	756184931	SRFZCOBWGFNNTO-UHFFFAOYSA-N	407.857	3.617	10	20	HHCD	
C[C@@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1ccc(Br)cc1O	756344910	UNQVUEGXNGNQJE-PBHICJAKSA-N	424.408	3.856	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1	756678945	BUPWSCIHOMXPJH-VQTJNVASSA-N	417.575	3.628	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cc4c(cc3OC)OCO4)SC2=S)cc1	758814416	FRKMUNTUWQOYEW-CAOOACKPSA-N	401.465	3.838	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CCN1Cc1ccccc1	759585202	QJVDJUHWLLMRKF-AEFFLSMTSA-N	404.605	3.978	10	20	HHCD	
CN(C)c1ccc(CN2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)cc1F	761175316	ADAOZMJGPCQEKD-QGZVFWFLSA-N	420.282	3.790	10	20	HHCD	
O=C(NCc1cccc(OCC(F)F)c1)NCc1cccc(Br)c1O	764767568	CLIVPIBDSXMDEQ-UHFFFAOYSA-N	415.234	3.798	10	20	HHCD	
CC(C)(C)CNC(=O)c1ccc(C(=O)NCc2cccc(Br)c2O)cc1	765728363	IUYPNZTXKLXIOQ-UHFFFAOYSA-N	419.319	3.861	10	20	HHCD	
Cc1cccc(Cl)c1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	767994628	VIPLEHKMDXSKGB-MRXNPFEDSA-N	400.910	3.672	10	20	HHCD	
O=C(COc1ccccc1CN(Cc1ccccc1O)C[C@H]1CCCO1)N1CCCC1	768160922	CKLULHSICOETDP-JOCHJYFZSA-N	424.541	3.575	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1O	769388605	UABAHTQKPKKVIA-ZDUSSCGKSA-N	413.356	3.538	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N(C)C)cc1	773613440	QUELMYFLLGADFH-AUUYWEPGSA-N	400.910	3.572	10	20	HHCD	
COCCC1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCCC1	773723995	KVPDGMAAIQJKKZ-UHFFFAOYSA-N	417.594	3.682	10	20	HHCD	
C[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccc(N(C)C)cc1	773988603	VZCZHTSECCKKSP-INIZCTEOSA-N	404.514	3.680	10	20	HHCD	
C[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cc(Cl)c(Cl)cc1O	774171388	LKXUVVZWKCQIMY-LLVKDONJSA-N	404.315	3.832	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(C(F)(F)F)n1	775744307	QDIWZRVKYOTHOV-UHFFFAOYSA-N	408.424	3.631	10	20	HHCD	
COC(=O)CN(Cc1ccn(-c2ccccc2F)n1)Cc1cc(Cl)ccc1O	782513034	MUOCIIYUFNMRGM-UHFFFAOYSA-N	403.841	3.546	10	20	HHCD	
CCOC(=O)[C@@](C)(CNCc1cc(Br)cc(OC)c1O)c1ccccc1	787436980	NCCAVXOIEAHNRP-FQEVSTJZSA-N	422.319	3.774	10	20	HHCD	
NC(=O)[C@@H]1CCC[C@H](C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	787819466	FACYAYSRPPGYKI-CVEARBPZSA-N	408.458	3.875	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc(C)nc1Cl	788639051	QTNHWXBOKLBCSV-UHFFFAOYSA-N	419.728	3.722	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc3c2OC(C)(C)C3)cc1F	789565274	YODGWTCDDDZTTJ-UHFFFAOYSA-N	413.493	3.640	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@]2(CCO[C@@H]2C)O1	790503749	BPSNTZYNKDDONJ-IECBHUPTSA-N	415.578	3.933	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](OC(C)C)c3ccccc3)cc2F)CC1	794295048	GPLBKDZTUMLGSP-QHCPKHFHSA-N	413.537	3.750	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3csc4ccccc34)n2)c[nH]1	795549725	ROVKQZSDXREDQO-UHFFFAOYSA-N	419.509	3.940	10	20	HHCD	
COc1cc(Br)cc(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1O	797605853	VWLXBVKJBYBWEK-CQSZACIVSA-N	419.319	3.648	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCC3CCC(F)(F)CC3)cc2F)CC1	800021935	CBYSMETVULDWIG-UHFFFAOYSA-N	412.500	3.592	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CS(=O)(=O)C3CCCC3)cc2Cl)C1	800046671	BFLBSIAAUHDIQQ-OAHLLOKOSA-N	412.983	3.550	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1nnn(CCOc2ccc(F)cc2)c1C	800515126	UHZYGITWKKQQDK-UHFFFAOYSA-N	412.465	3.563	10	20	HHCD	
Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)cc1	800902948	GTSXSIPNSDYCSC-HXUWFJFHSA-N	423.561	3.804	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc(C(C)C)oc3C)CC2)cc(OC)c1OC	803105031	HLPDYPQZEBDQRZ-UHFFFAOYSA-N	402.491	3.700	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)cc1	804123178	PIHPZYBGSZZHJT-FQEVSTJZSA-N	402.454	3.608	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H](CCC(C)C)C(C)(C)C)CC2)cc1	804315742	QQSYPHPOWFYCER-NRFANRHFSA-N	417.594	3.747	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1	806276676	IXWOHOLGOYSRBC-HNNXBMFYSA-N	409.964	3.759	10	20	HHCD	
CC[C@H]1CCC[C@@H](NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)C1	807166979	QIZQIUUIDYDUQA-XJKSGUPXSA-N	411.340	3.588	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1	813535692	YNHMKPRCLDYMNU-UHFFFAOYSA-N	404.917	3.573	10	20	HHCD	
COC(=O)c1ccc(CCNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	819127761	XXFFZFFMJSRVAA-UHFFFAOYSA-N	406.482	3.862	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1cc(F)ccc1OC	819525819	RXYCNBSNYRCRHR-UHFFFAOYSA-N	416.493	3.765	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(NCC2CC2)nc1	857455960	JSUDWEKSGUEUDV-KRWDZBQOSA-N	416.472	3.904	10	20	HHCD	
COC[C@@H](C)NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1	863991791	LVZSPYOCYBZRHX-LLVKDONJSA-N	419.330	3.624	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3F)n2)cc1	915290398	ZLJIMIXUTHSSCJ-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)Cc1cccs1	916986086	HOMWQNGVSPVHSC-CALCHBBNSA-N	419.566	3.639	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ncc(-c2ccccc2)o1	918213149	FZEVNMUVIMCDOW-UHFFFAOYSA-N	420.513	3.550	10	20	HHCD	
Cc1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918293967	AGVXMDMQZKJWJY-KRWDZBQOSA-N	402.878	3.500	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc(C)cc3Cl)CC2)cc1	920251073	LBCKZXCWZSIEID-MDZDMXLPSA-N	413.905	3.501	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	920316670	HVLQOCCBNYXWKS-UHFFFAOYSA-N	409.895	3.668	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1	920411174	QSRMAEXEXCCYSJ-UHFFFAOYSA-N	403.592	3.650	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)cc1	1116420496	BELXIUWBSKYAEB-UHFFFAOYSA-N	419.529	3.515	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1F	1116863895	RRJHYSTXDPLJSP-UHFFFAOYSA-N	405.495	3.821	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2ccccc2)s1	1255148572	MROIPORVVQVMST-INIZCTEOSA-N	411.479	3.731	10	20	HHCD	
CCc1cc(OCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Cl	1318712633	CXMRZIKTHREVOJ-UHFFFAOYSA-N	416.949	3.806	10	20	HHCD	
CC(C)N(Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1nc(O)c2ccccc2n1	1319798571	KRCQTGXYPQJQCX-UHFFFAOYSA-N	423.536	3.637	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccnn2C[C@H]2CCOC2)cc1	1320410347	ZORDINRGNDEGFS-LJQANCHMSA-N	423.517	3.813	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(Cc4ccco4)c3C)CC2)cc1F	1322434619	XKFOKEZMGGRJLP-UHFFFAOYSA-N	411.477	3.856	10	20	HHCD	
COc1cccc(N2CCC(NC(=O)NCc3ccc(N4CC=CC4)cc3)CC2)c1	1323117101	LGZUPABQSOGRAH-UHFFFAOYSA-N	406.530	3.540	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@@H](c4ccc(Cl)s4)C3)cc2F)CC1	1324745958	ICSONPYLTABYPJ-GOSISDBHSA-N	409.958	3.866	10	20	HHCD	
Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)nc1	108479034	XMWDQPDHIPJGLV-UHFFFAOYSA-N	417.513	3.683	10	20	HHCD	
C[C@H](NC(=O)NC1CCN(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	140928250	DCDFMYGSVXTXIZ-IBGZPJMESA-N	408.546	3.552	10	20	HHCD	
COc1ccc(F)cc1[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	140957060	PWXLYZSTKCFUSM-CVEARBPZSA-N	401.482	3.792	10	20	HHCD	
CCOCCCN1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@H](C)C1	303726557	SXJRNLCYEPRVRY-HOYKHHGWSA-N	422.573	3.833	10	20	HHCD	
CC(C)CCOc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1	726235871	HSACGIRVSHKIBL-UHFFFAOYSA-N	411.546	3.948	10	20	HHCD	
COc1ccc(OC)c(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726565250	IHZFYCCDRKZJSF-UHFFFAOYSA-N	420.456	3.633	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(F)ccc1N1CCCCC1	727030264	MSGANQYGHHGWJQ-UHFFFAOYSA-N	412.509	3.974	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCCN(C(C)=O)C2)cc1	728083360	NQZKPWYYIHHMOP-HXUWFJFHSA-N	409.530	3.553	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC2)cc1	731899897	VJQRLOGNTRYHJV-UHFFFAOYSA-N	410.518	3.578	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	734190999	NOHCEHPUHAOKHY-CRAIPNDOSA-N	404.894	3.588	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSC[C@@H](C)C(=O)OC)c2C)cc1	734368685	QVEZZCYTOOEXCC-CYBMUJFWSA-N	403.500	3.606	10	20	HHCD	
COc1ccccc1[C@@H](CO)NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	734943070	SZWUQCJAFCMPLT-JOCHJYFZSA-N	411.546	3.997	10	20	HHCD	
CCc1ccc([C@H]2COCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)o1	736376807	XIKRRERJSNQURZ-HXUWFJFHSA-N	415.559	3.678	10	20	HHCD	
O=C(CCCc1nc(C2CC2)no1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	739714158	AZIMHNAXERJEBL-UHFFFAOYSA-N	420.460	3.656	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(NC(C)=O)c1OC	742523190	BASPKTMHVKYWKN-UHFFFAOYSA-N	411.502	3.533	10	20	HHCD	
O=C(NCCc1ccc(F)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743503366	VZLYCADNNOGUCL-KRWDZBQOSA-N	407.436	3.938	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)NCc1c(O)ccc3c1CCCC3)O[C@@H](C)C2	743515364	WGYJBHSUTAUUNR-HNNXBMFYSA-N	410.514	3.993	10	20	HHCD	
CCc1nc(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1	743580004	AZZXWQASFXCQRV-AWEZNQCLSA-N	424.517	3.818	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	745689949	PNEKWZGVYSGULV-UHFFFAOYSA-N	400.479	3.790	10	20	HHCD	
CCCN(C)C[C@H]1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	745799913	MSSVKCHKKAUJHU-QGZVFWFLSA-N	424.536	3.630	10	20	HHCD	
COCc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C[C@H]1CCCCO1	752834767	JNYDCIZSCMBYKG-OAQYLSRUSA-N	413.566	3.620	10	20	HHCD	
C[C@H](NC[C@H]1CCCN(C)C1)c1cc(Br)cc(Br)c1O	756550667	JKBZSMWUNYFNSC-WDEREUQCSA-N	406.162	3.910	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(N[C@H](C)c3ccccc3)CCOCC2)c1	756595477	VUDQGLFEWIBHSY-MSOLQXFVSA-N	412.530	3.729	10	20	HHCD	
CCNc1nc(C)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	759223589	JLPABSMAHJIHQB-CHWSQXEVSA-N	406.527	3.566	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@H](O)c1cccc(C(F)(F)F)c1	759602797	ZOZVCBCUYNCGOD-ZDUSSCGKSA-N	405.467	3.677	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@@H](C)[S@@](=O)CC3)c2C)c1	759867098	INUIBLGYRRNGEC-JWIGPWBQSA-N	404.601	3.842	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)c1O	761198852	WACRJHJGKUZJNP-SFHVURJKSA-N	411.329	3.871	10	20	HHCD	
Nc1c(Cl)cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Cl	763924947	FYRDVHNMCZWTOW-UHFFFAOYSA-N	408.329	3.714	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCO[C@H](c2ccccc2)C1	765230710	SHTVBFLYWDGGAE-UNMCSNQZSA-N	411.571	3.959	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cccc(N2CCCC2=O)c1	765232572	BRCCORGKXLKKKK-UHFFFAOYSA-N	404.264	3.603	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NCc1ccc(N2CCCCC2)cc1	765719999	VRLLMHSPTWUPMZ-QGZVFWFLSA-N	411.493	3.842	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccc(Br)c1O	765751926	AHTVSAOBFNXRMO-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
Oc1c(Br)cccc1CNC(=S)Nc1ccc2c(c1)OC(F)(F)O2	765991485	AFZSCHOWQOSWKF-UHFFFAOYSA-N	417.231	3.963	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4c(cnn4C(C)C)c3=O)c2C)cc1F	768466404	LUUDTQGGKZSTQR-UHFFFAOYSA-N	421.476	3.912	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCN(C)C3CCCCC3)cc2F)C[C@H](C)O1	769688344	KGLUDELHBPRKTJ-ROUUACIJSA-N	405.558	3.710	10	20	HHCD	
CCCCn1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)n1	770223306	REPGYSUGRWQUSI-HOTGVXAUSA-N	402.514	3.674	10	20	HHCD	
Cc1cc(Br)ccc1S(=O)(=O)NCCCSc1nccs1	770247883	WDNKDVFNURTCJL-UHFFFAOYSA-N	407.380	3.675	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OC(F)F)cn1	772113082	HCBLZSZSPALWSG-GFCCVEGCSA-N	413.371	3.683	10	20	HHCD	
CC[C@@H](C)[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F	772538413	QZTHLIMPMZLXMT-RDTXWAMCSA-N	401.473	3.672	10	20	HHCD	
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	774878638	VILRSBUDZUGKFH-OAHLLOKOSA-N	409.483	3.530	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(COCC(F)(F)F)cc2)c1O	774962432	IKRMXXIWTLXHFO-UHFFFAOYSA-N	400.353	3.678	10	20	HHCD	
CC[C@H](NCc1ccccc1OCCN1CCOCC1)c1cc(Cl)ccc1O	775496245	DLUISFHDCFSIPQ-FQEVSTJZSA-N	404.938	3.998	10	20	HHCD	
COc1cc(N(C)C[C@@H](O)c2ccc(F)c(Br)c2)cc(OC)c1OC	775604770	UAGFVNGPUULIHO-OAHLLOKOSA-N	414.271	3.784	10	20	HHCD	
COc1ccc(O)c(CN[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1	777483623	WXXWYZDSCVWDDM-QHCPKHFHSA-N	411.523	3.992	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1SCCc2sccc21	777828287	MEVJRSDEZHAUGL-KRWDZBQOSA-N	411.932	3.639	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(C)c3Br)c2)CC1	781271474	XPBROOJLNOOZDW-UHFFFAOYSA-N	416.319	3.678	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)cc1	782187552	CLFRRDJZTNDWFP-OQLLNIDSSA-N	405.522	3.701	10	20	HHCD	
Cc1cccnc1C(F)(F)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	782677139	RMEJREWJQJSLHB-GASCZTMLSA-N	407.436	3.551	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC([C@@H]4CCCO4)CC3)cc2F)C[C@@H](C)O1	784071270	NDXZTWMAWBHWPS-YVHKJVDXSA-N	419.541	3.540	10	20	HHCD	
O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)N(Cc1ccco1)Cc1ccccc1O	785605394	ICLANDVFHACNFW-QWFCFKBJSA-N	410.514	3.989	10	20	HHCD	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	787871649	CJQCLQHISUUVIG-GOSISDBHSA-N	409.530	3.568	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](c1ccnn1C)C(C)C	788322285	WFYPSKDHIQQQGO-MRXNPFEDSA-N	423.355	3.860	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)C3CN(C(=O)OC(C)(C)C)C3)cc2F)C[C@@H](C)O1	788545791	JOVQWPCXIZWFDV-BRWVUGGUSA-N	421.557	3.784	10	20	HHCD	
CN(C)Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	789728801	YESADHQQIUGKNI-UHFFFAOYSA-N	418.500	3.581	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)cc1	789881765	UXTGVJGXHQHGAL-QFIPXVFZSA-N	416.587	3.710	10	20	HHCD	
CCOc1c(Cl)cccc1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	790514883	VJSUENNXXVQBOD-MRXNPFEDSA-N	402.922	3.995	10	20	HHCD	
Cn1cnc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1Cl	800047320	JPQDLWDVFNLAFF-UHFFFAOYSA-N	410.282	3.759	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CCNC(=O)c3ccco3)cc2Cl)C1	800049151	GKVIPAASGDTKDC-OAHLLOKOSA-N	403.910	3.606	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N(CC)CC)c1	801547901	DSGBTTAZTPOZOW-UHFFFAOYSA-N	418.559	3.865	10	20	HHCD	
CCN(C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)c1cc2ccccc2o1	803661953	PERHIANSHYKQCJ-OAHLLOKOSA-N	411.477	3.864	10	20	HHCD	
CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	803663511	QLNVCXFLNQKWIA-UHFFFAOYSA-N	407.489	3.710	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCCOc3ccccc32)cc1	804065360	OJGYYYLBJLUVHG-OAQYLSRUSA-N	409.530	3.521	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C	805135010	NGXGWUSTRQEMGX-UHFFFAOYSA-N	420.314	3.511	10	20	HHCD	
CC[C@@H](NCCCN1CCN(c2ncccn2)CC1)c1cc(Cl)cc(Cl)c1O	806130497	ZOPQKCPTAFJDBY-GOSISDBHSA-N	424.376	3.742	10	20	HHCD	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806878674	VCWNZJYGQKODLA-AOIWGVFYSA-N	422.520	3.525	10	20	HHCD	
Cc1ccc([C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	807244439	ZSHATNYLCKUYDM-FQEVSTJZSA-N	407.558	3.864	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nccc(C(F)F)n1	807610155	MTXPORATNQADGC-UHFFFAOYSA-N	415.238	3.614	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC2(Cc3ccccc3)CC2)cc1	807669525	YARBTHXJUYGKJK-UHFFFAOYSA-N	407.558	3.630	10	20	HHCD	
COc1ccc(N2CCN(CCNC3CC(c4cc(F)cc(F)c4)C3)CC2)cc1	809609929	KWCXXBQCHBZLRY-UHFFFAOYSA-N	401.501	3.631	10	20	HHCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4cc(Br)cc(Br)c4O)[C@@H]1[C@H]3C2	809697469	HGDWDNNRUHKVQO-PYJLPLTJSA-N	417.141	3.772	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1	812479644	LDCIOXZJQRTGFF-OAHLLOKOSA-N	403.320	3.706	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1	813646688	MISDEVAPVVLMTA-ICSRJNTNSA-N	416.566	3.602	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(Cc2ccccc2Br)CC1	816028610	KESWKUPRSQDSPT-CYBMUJFWSA-N	404.304	3.930	10	20	HHCD	
COc1cc(CN2CCN(Cc3cc(Cl)c(F)cc3O)CC2)cc(OC)c1OC	816516672	MNMJXXCEVVIFBH-UHFFFAOYSA-N	424.900	3.528	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN(C3CCCCC3)C3CC3)cc2F)C[C@H](C)O1	917055601	DOZJWTOKGCYMOH-ROUUACIJSA-N	417.569	3.853	10	20	HHCD	
Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c12	917709324	VDBULPKDMLGIKD-UHFFFAOYSA-N	412.465	3.560	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1	918155044	RRRLLWXYYREFBB-WJDWOHSUSA-N	405.522	3.505	10	20	HHCD	
CCC(=O)N1CCC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1	919454252	IIIMUEYBPDOHET-IBGZPJMESA-N	410.514	3.777	10	20	HHCD	
O=C(CCc1cccc(Br)c1)NCc1ccc(N2CCOCC2)cc1	919767219	ISRWALAWTIURFB-UHFFFAOYSA-N	403.320	3.535	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@H]3C[C@@H](O)c3cccs3)cc2F)CC1	1116448851	AVIORMHKQHFHHZ-GHTZIAJQSA-N	403.567	3.727	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)cc2F)CC1	1254005350	ZPUCISATTXSWLD-DEOSSOPVSA-N	422.548	3.525	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)CC2)cc1	1319397869	UCUWSLHPDWFOMO-XMMPIXPASA-N	419.525	3.698	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)COc1ccccc1C(C)(C)C	7104445	CTSPTTIRJBUNMN-UHFFFAOYSA-N	412.530	3.631	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)Cc2ccccc2)cc1	10395281	OZDWYEQZUROKFV-UHFFFAOYSA-N	424.522	3.744	10	20	HHCD	
O=C1N=C(NC2CCCCC2)S/C1=C/c1cnc2ccc(Br)cn12	210214173	LVZYAONIIAGYAH-RIYZIHGNSA-N	405.321	3.989	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	40945798	NPUWVGYIPWKFRX-UHFFFAOYSA-N	405.457	3.918	10	20	HHCD	
COc1ccc(OC)c2c1CN(C(=O)c1sccc1-n1c(C)ccc1C)C[C@H]2O	195685121	PJWPUZSLGLJYMO-QGZVFWFLSA-N	412.511	3.862	10	20	HHCD	
Cc1nnc(-c2ccc(C(=O)Nc3ccc(NC(=O)C4=S=CC=C4)cc3)cc2)o1	468715343	PVSMKYIXOJWPCX-UHFFFAOYSA-N	404.451	3.513	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)NCC1CCC(c2ccccc2)CC1	805187294	ILFKWCDBBOVYHH-UHFFFAOYSA-N	417.600	3.832	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1	801548053	KXVXRQYYTNBHDD-UHFFFAOYSA-N	407.514	3.938	10	20	HHCD	
COC[C@@]1(CN[C@H](C)c2cc(Br)ccc2O)OCCc2ccccc21	810242556	RMOWTMHXAOXTAK-JLTOFOAXSA-N	406.320	3.920	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc2c(F)ccc(F)c2c1	815952913	YQYLZFUNLYTQGC-UHFFFAOYSA-N	420.799	3.687	10	20	HHCD	
CC(C)[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	728466915	CGNNXQUANYULFI-GGAORHGYSA-N	407.558	3.834	10	20	HHCD	
CN(C)c1cccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726708898	GZZRTMVHSUOUDJ-UHFFFAOYSA-N	418.488	3.822	10	20	HHCD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	727850719	HZTVQYOBJUZXFO-DYXWJJEUSA-N	400.567	3.546	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)cc2)CC1	731016638	LOVJARODMBMUQO-DEOSSOPVSA-N	419.569	3.773	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc2c1OCO2	735329287	JOMNPVNTFUPSCX-SOFYXZRVSA-N	415.448	3.558	10	20	HHCD	
C[C@H](CN(C(=O)/C=C/c1cccnc1)c1ccccc1)NC(=O)/C=C/c1cccnc1	733876672	CQJWAVNUHHFZPI-FYVUJZAJSA-N	412.493	3.741	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)nc3C)cc2F)CC1	730194402	QKKKVZFCWLUIAZ-UHFFFAOYSA-N	424.442	3.620	10	20	HHCD	
COCCOC(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1	734646545	GRQNUWGPGJNZRF-UHFFFAOYSA-N	400.479	3.578	10	20	HHCD	
COc1cc2cc(C(=O)NCCCSc3nccs3)[nH]c2c(OC)c1OC	733972854	XYVFBPPTSAGYLG-UHFFFAOYSA-N	407.517	3.562	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2)cc1	918054302	CCUXPHIKBLKRHR-DEOSSOPVSA-N	422.573	3.754	10	20	HHCD	
CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cc21	737378914	DXUMRNYCNOTBQY-UHFFFAOYSA-N	403.485	3.503	10	20	HHCD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919968318	CNGOUQVUVRPBMJ-QGZVFWFLSA-N	416.949	3.941	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cc(Br)c4c(c3)OCCO4)ccc21	748638100	CWNGKAMFNJWHHI-UHFFFAOYSA-N	417.303	3.533	10	20	HHCD	
O=C(NCc1nnc2n1CCCCC2)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915731222	XBCMLWHMNSHNSK-UHFFFAOYSA-N	417.473	3.675	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3c(-c4ccncc4)noc3=O)c2C)cc1C	749357416	DFYIJHNJAFHIQZ-UHFFFAOYSA-N	402.454	3.806	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1sc(N2CCCC2)nc1Cl	746876684	NTIXROVYKHXSCV-UHFFFAOYSA-N	423.007	3.880	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCC1CCN(CC(F)(F)F)CC1	748964718	ADWFWTYRIPLKJU-UHFFFAOYSA-N	401.473	3.978	10	20	HHCD	
CC(C)[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1C(=O)c2ccccc2C1=O	914484630	KNLNXZRTHPCWFW-JOCHJYFZSA-N	419.525	3.564	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCOc1ccc(OC)cc1	745359643	MAEBTNIDXDIZJI-UHFFFAOYSA-N	423.307	3.774	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	918138323	KFTHUJFPFVUWNC-BETUJISGSA-N	421.856	3.931	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(O)nc4ccccc34)cc2F)C[C@H](C)O1	917708472	BYCAWJYMYQOZEP-GJZGRUSLSA-N	409.461	3.623	10	20	HHCD	
O=C(CN1CCC(C(F)(F)F)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	744421341	XRBRZLPWBGMDAG-UHFFFAOYSA-N	416.399	3.675	10	20	HHCD	
CC(C)c1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c12	919766120	XTMLPLOWLZCJNU-UHFFFAOYSA-N	420.513	3.990	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H](c2ccco2)N(C)C)cc1	919655669	WHNMHEDKFRWPJC-OAQYLSRUSA-N	410.518	3.953	10	20	HHCD	
CCCCc1nnc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	916669017	SHYNQKCQYQLBNT-KBPBESRZSA-N	421.542	3.955	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	753644336	KRIYKQJJXXQBRY-WNSKOXEYSA-N	417.461	3.913	10	20	HHCD	
CC(=O)[C@@H]1C[C@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1(C)C	758807067	ZDNKOTPFTKKJPZ-HJNYFJLDSA-N	400.563	3.902	10	20	HHCD	
O=C(CCc1cc(Br)ccc1F)NCc1ccc(N2CCOCC2)cc1	758653478	MBGYCSBOUDKHKX-UHFFFAOYSA-N	421.310	3.674	10	20	HHCD	
CC(C)N1C[C@@H](N[C@@H](C)c2cc(Br)cc(Br)c2O)CC1=O	756738391	OLXMBBIFMQIAGH-ONGXEEELSA-N	420.145	3.577	10	20	HHCD	
COc1ccc(N2CCCN(Cc3ccc(OC)c(O)c3Br)CC2)cc1	761192603	TZIDGPBANFVUHM-UHFFFAOYSA-N	421.335	3.884	10	20	HHCD	
COc1cccc(OC)c1OC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	768908888	HFIJWTIHBYULPP-UHFFFAOYSA-N	412.530	3.584	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1	763278488	BZJVQWIIYOLALS-CQSZACIVSA-N	404.466	3.961	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)C[C@H](C)C2)c(C)n1-c1cccc(Br)c1	762541181	XNWFAMDSVOBPSF-SHZVTRLKSA-N	423.376	3.697	10	20	HHCD	
COC(=O)CN(Cc1nc(-c2ccc(F)c(C)c2)no1)Cc1cc(Cl)ccc1O	766885855	YLQNRISBTRHTRA-UHFFFAOYSA-N	419.840	3.718	10	20	HHCD	
CC(C)C[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	775193766	BFMIMUNZHRVGGN-AUSIDOKSSA-N	423.557	3.604	10	20	HHCD	
COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773085528	XGLKBVRGAHIYCJ-LBPRGKRZSA-N	413.337	3.563	10	20	HHCD	
C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(OCC(F)(F)F)cc1	775225918	VOKKWHPQVCTKIG-HNNXBMFYSA-N	409.452	3.661	10	20	HHCD	
C[C@@H](N[C@@H]1CCn2ccnc2C1)c1cc(Br)cc(Br)c1O	779064913	JNXDHIGWUONXBZ-MWLCHTKSSA-N	415.129	3.779	10	20	HHCD	
O=C(c1ccccc1C(F)(F)F)N1CCC(NCc2cc3c(cc2O)OCO3)CC1	775319362	SYIBLTCVCWVXTH-UHFFFAOYSA-N	422.403	3.534	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cccc(-c3nnc(COC)o3)c2)cc1F	776706206	NEFUAJFLWPIFAF-UHFFFAOYSA-N	412.465	3.798	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ncnn2CC(F)F)c(C)n1-c1ccc(Cl)cc1	787856457	MQYYMHVPLSNUHE-UHFFFAOYSA-N	407.852	3.876	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCC[C@@H]1CCCCO1	780314837	LBKWGWDPWGKQST-DSDLTIFZSA-N	424.613	3.805	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	788544649	FWVQXIWCVPSLFT-ZNMIVQPWSA-N	402.470	3.781	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@]1(c2ccccc2)CCCCC1=O	788465840	ACSVAVLXGABFFL-VWLOTQADSA-N	407.558	3.681	10	20	HHCD	
CC(C)(C)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	786818627	VUXPHWFKDXPNFR-OAQYLSRUSA-N	424.541	3.514	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H]3CC(C)(C)CCc4ccccc43)nc12	799338988	GYWTZSFYXUSIQM-LJQANCHMSA-N	408.502	3.805	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCC34CCOCC4)cc2F)C[C@@H](C)O1	799887470	ZIOCJKXBTJMADO-LLGFUMIMSA-N	419.541	3.588	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1	1321384218	OSARIGNRJVYMHI-IBGZPJMESA-N	415.965	3.932	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccn(-c2ccccc2C(F)(F)F)n1	1337767401	SHRJYZVPOKNYKK-UHFFFAOYSA-N	416.403	3.996	10	20	HHCD	
Cc1cc2nc(C)c(CCC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c(C)n2n1	247944863	HQXKYKCLSVTISG-HXUWFJFHSA-N	422.529	3.501	10	20	HHCD	
COc1ccc(/C=C2/NC(=S)N(Cc3ccccc3)C2=O)cc1Br	302629349	BYWKBEPHOBONCT-XNTDXEJSSA-N	403.301	3.716	10	20	HHCD	
O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1ccc(C2=S=CC=C2)o1	544010476	ZNVNOJVBYQPTOQ-UHFFFAOYSA-N	415.478	3.588	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cc4c(cc3OC)C[C@H](C)O4)SC2=S)cn1	726196938	HIHXRHAWSGRZET-FQKVVYMKSA-N	401.513	3.641	10	20	HHCD	
Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCc1ccc2c(c1)CCCN2C	726248944	AELRIWLBJIDECI-UHFFFAOYSA-N	414.937	3.859	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)COc3cccc(Br)c3)CC2)cc1	726562184	IDDPEMHQAUAEAI-UHFFFAOYSA-N	419.319	3.622	10	20	HHCD	
CCc1ccc([C@H](CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)N(C)C)cc1	726702927	OIOYLSXVYCTLSQ-DEOSSOPVSA-N	424.589	3.829	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(C(=O)c4c(F)cccc4F)CC3)c2c1	727825417	QORCGYWQZQLTTI-UHFFFAOYSA-N	412.436	3.790	10	20	HHCD	
O=C1CCCN1C1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	729467680	IBLBHJBUAMIQSY-UHFFFAOYSA-N	403.320	3.895	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1F	730386187	PBJQDOASHXLQJV-UHFFFAOYSA-N	403.458	3.795	10	20	HHCD	
CCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1	731408870	YLVMEXPBGUQAEC-UHFFFAOYSA-N	401.482	3.634	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)C1(C(N)=O)CC1	731611214	RNZPRKNQTMHGFA-MRXNPFEDSA-N	405.420	3.564	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCOC3CCCCCC3)cc2F)C[C@H](C)O1	735681852	RLNGVILRVOVHJV-ROUUACIJSA-N	421.557	3.978	10	20	HHCD	
C[C@H](Nc1ncccc1I)c1ccc(N2CCOCC2)cc1	740868158	SFVFTMMPAMAVTI-ZDUSSCGKSA-N	409.271	3.696	10	20	HHCD	
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ccc(N2CC=CC2)cc1	740914630	CJHMITUJGJZYPN-UHFFFAOYSA-N	420.557	3.537	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1N1CCCCCC1	741099912	MMPNVWPLTMRSGL-UHFFFAOYSA-N	418.541	3.698	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(OC4CCOCC4)cc3)CC2)cc1	741921426	SHQGYWHNEFACLJ-UHFFFAOYSA-N	410.514	3.652	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COc2ccc(C(=O)N(C)CCO)cc2)c1C	742358273	FNHIWBIZSYVCRA-UHFFFAOYSA-N	420.509	3.729	10	20	HHCD	
O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccc(N2CCCCC2)cc1	742475468	BOELOOJGUBBZFA-UHFFFAOYSA-N	424.526	3.838	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)cs1	743046312	VEKBBMJZRJBNOF-UHFFFAOYSA-N	400.528	3.829	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@]12CCCc1ccccc12	743314430	MCORXCGOUUZKFU-SQJMNOBHSA-N	408.517	3.697	10	20	HHCD	
CCc1ccc([C@@H](NC(=O)c2cc(O)cs2)c2cccc(S(C)(=O)=O)c2)cc1	743750572	LMDGQTRXOGGOSJ-HXUWFJFHSA-N	415.536	3.939	10	20	HHCD	
COC(=O)[C@H](O)C1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	747510626	OLSJVAVQQAZHRQ-OAQYLSRUSA-N	424.501	3.554	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2ccnn2Cc2ccccc2Cl)c(OC)c1	752122657	NOMFBQVLTQAPLC-UHFFFAOYSA-N	414.893	3.677	10	20	HHCD	
CS[C@@H](C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	752268690	JLUNYVPGDYTOGC-KWJWQAOWSA-N	400.616	3.597	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3c(C)cc(N(C)C)cc3C)CC2)cc1F	752365408	VGJOZWBREJPECG-UHFFFAOYSA-N	400.498	3.871	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1c[nH]c2cccc(Br)c12	753020469	GMFDUUAWBFCRJM-FNORWQNLSA-N	401.260	3.714	10	20	HHCD	
C[C@H](NC[C@@H](O)c1ccco1)c1cc(Br)cc(Br)c1O	756382810	UWDNLCGDFHUXHU-QPUJVOFHSA-N	405.086	3.894	10	20	HHCD	
C[C@@H](NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756502349	HFHXTYXLTQPIPA-KUHUBIRLSA-N	405.882	3.678	10	20	HHCD	
CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1ccc2c(c1)OCO2	756654427	TYQMYERYOKHRIS-INIZCTEOSA-N	409.467	3.884	10	20	HHCD	
CC(C)CN1CC[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	756985889	XYJLIMJFRIVPKW-MSOLQXFVSA-N	424.536	3.534	10	20	HHCD	
COCCOc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	765288617	YMGIAOCWEAEGEV-KRWDZBQOSA-N	402.510	3.663	10	20	HHCD	
COc1ccc(N2CCC(NCCCc3nnc(SC)n3CC(C)C)CC2)cc1	765978784	OOTKUBAUELLGMF-UHFFFAOYSA-N	417.623	3.856	10	20	HHCD	
Cc1cc2c(N3CCC[C@@H]3C(=O)NCc3ccc(N(C)C)cc3C)ncnc2s1	770552539	IWIYNHKKWDFFQQ-LJQANCHMSA-N	409.559	3.659	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3sc(CCOC)nc3C)cc2F)CC1	771399450	VPZVXVBLRXGUIK-INIZCTEOSA-N	420.598	3.772	10	20	HHCD	
CSCCNc1nc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cs1	771521427	RNHXYNPRORQJQC-UHFFFAOYSA-N	422.601	3.640	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C	772603646	KPSJHYSUTRWBFZ-FUHWJXTLSA-N	404.555	3.648	10	20	HHCD	
C[C@@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC1(C)OCCO1	774424553	KMCBONQBEBNIEG-MRXNPFEDSA-N	410.474	3.946	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@H](CN2CCOCC2)c2ccc(C)cc2)c1O	774834314	YVSGRFIQYMOPFV-OAQYLSRUSA-N	402.922	3.720	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2ccc(F)cc2F)cc1	774922507	YXNSDLAVMGDBGB-OAHLLOKOSA-N	403.473	3.647	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1	775577447	NOISAVZCBNGGII-MRXNPFEDSA-N	405.539	3.673	10	20	HHCD	
C[C@H]1C[C@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1Cc1ccccc1	775688526	SUNJONYWWMBCAT-BKMJKUGQSA-N	406.618	3.923	10	20	HHCD	
COc1ncc(/C=C\C(=O)N(CC(=O)Nc2ccccc2)c2cc(C)cc(C)c2)cn1	776314437	RKGRTRUZEUQIEZ-KTKRTIGZSA-N	416.481	3.787	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c(Cl)c1	782106118	HNYGEGGFALNGFK-UHFFFAOYSA-N	415.921	3.765	10	20	HHCD	
CC(C)n1nnnc1-c1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1F	783096019	FWHXDHQNKXYERK-UHFFFAOYSA-N	415.448	3.587	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CCOCC1)c1cc(Br)ccc1O	783647633	PYLPDIHEQCYNKU-HNNXBMFYSA-N	405.336	3.838	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2cc(OC)c(OC)cc2Br)cc1	784564164	OULSDPVQFNNUHR-UHFFFAOYSA-N	424.291	3.655	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c(C)n1-c1ccccn1	789923633	ARSRNPIXWQEYPN-UHFFFAOYSA-N	403.891	3.798	10	20	HHCD	
Cc1noc(C)c1C(C)(C)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	796663334	KZDYELWWRHDHIM-UHFFFAOYSA-N	417.465	3.530	10	20	HHCD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	796744119	LJSFXHSKOTYASD-DOTOQJQBSA-N	418.440	3.653	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cccc(F)c3SC)CC2)cc(OC)c1OC	797986785	WECCPLCXLDCAKO-UHFFFAOYSA-N	420.506	3.536	10	20	HHCD	
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)NCc1ccc(N2CCCC2)cc1	799242140	YCWPRPGBRDUVQN-JOCHJYFZSA-N	422.529	3.526	10	20	HHCD	
CCCCN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccccc1O	801595706	QSBRBEYNCZFUMZ-UHFFFAOYSA-N	417.937	3.745	10	20	HHCD	
CN(CCc1cccc2ccccc12)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803686797	QLDNPZFJLOLAQT-UHFFFAOYSA-N	415.537	3.540	10	20	HHCD	
Cc1cc(C(=O)COC(=O)COC(F)F)c(C)n1-c1ccc(OC(F)F)cc1	803728718	FILNQXUHEMMMPP-UHFFFAOYSA-N	403.328	3.661	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc(C(C)(C)C)cs1	804866690	VNAIEYMYHKYZBQ-UHFFFAOYSA-N	403.548	3.591	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H]3CCc4ccccc43)cc2)CC1	805024689	LTYGZEYOWFQZKA-QHCPKHFHSA-N	405.542	3.685	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c(C)c1OC	806548613	GFXRKGKHZZJPIX-SFQUDFHCSA-N	400.525	3.851	10	20	HHCD	
C[C@H](c1nccn1-c1ccccc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	806672917	SIXXAOAJLIRZTA-CQSZACIVSA-N	410.861	3.757	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2cccc(CSC)c2)cc1	807739710	NZKWYCKLYPULOK-UHFFFAOYSA-N	413.587	3.671	10	20	HHCD	
Cc1cc(C(=O)N2CCC(c3nnc(O)o3)CC2)c(C)n1-c1ccc(Cl)cc1	808022195	BRTWBWDKSKIFGO-UHFFFAOYSA-N	400.866	3.856	10	20	HHCD	
CN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(Cl)c(O)cc4F)ccc1c23	808114402	WUEXYIKNAIDDJN-UHFFFAOYSA-N	406.822	3.729	10	20	HHCD	
COCc1cc(Cl)cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1	810079647	JRJBDYPHQNJOLJ-UHFFFAOYSA-N	410.706	3.977	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)c1	813489145	QJSSLIPZHRPCOU-MRXNPFEDSA-N	417.527	3.755	10	20	HHCD	
COC(=O)c1ccoc1COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	818030500	IGHZQHYHWJWIBY-UHFFFAOYSA-N	424.792	3.852	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c(Cl)c1	857758837	URCHDFVOYLOBSI-QGZVFWFLSA-N	401.938	3.944	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1	917893844	VVGQZHULGVWZCK-UHFFFAOYSA-N	403.891	3.647	10	20	HHCD	
CC(=O)Nc1ccc(Cl)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	918047139	PGXJNHYBTBLEGA-UHFFFAOYSA-N	416.909	3.799	10	20	HHCD	
CC(C)Oc1ccccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	918293905	IKTUWNOTJFTSTP-UHFFFAOYSA-N	408.454	3.940	10	20	HHCD	
Cc1nc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2s1	918456480	KLAABJVTCGSQNN-UHFFFAOYSA-N	408.527	3.800	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2n[nH]c(C3CC3)c2Br)C2CC2)cc1	920853091	IETQBJBPBKDYSV-UHFFFAOYSA-N	403.324	3.920	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)CN(C)C(=O)OC(C)(C)C	1318504666	REGWFKICNYVJFE-KRWDZBQOSA-N	404.555	3.589	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(CO)oc3C)c2C)cc1	10725327	QOBHPFZZODSCAO-UHFFFAOYSA-N	411.454	3.926	10	20	HHCD	
Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	109179846	GQUUCTYGNMHHGZ-KRWDZBQOSA-N	405.498	3.907	10	20	HHCD	
Cc1nc2cc(F)cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2nc1C	65561630	ZDSQUNJXLRNHTA-INIZCTEOSA-N	408.477	3.713	10	20	HHCD	
O=C1CCCN1C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)c1cccc(C(F)(F)F)c1	238088811	KQQPPMVPBAEQPR-QGZVFWFLSA-N	423.391	3.773	10	20	HHCD	
CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	145601690	HYYORHKJUSPSNJ-CQSZACIVSA-N	401.488	3.644	10	20	HHCD	
C[C@@H](OC(=O)/C=C\c1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	96862957	CUKIATURLOPKNW-XMXAVACDSA-N	415.401	3.639	10	20	HHCD	
Cc1c(CNC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)n(C)c2ccccc12	472221260	IURHCJRTTNEJMW-UHFFFAOYSA-N	422.504	3.684	10	20	HHCD	
COc1ccc(CN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C2CC2)cc1	807670923	JESYBCNMHQTPBT-MSOLQXFVSA-N	423.557	3.766	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1	806847358	OCBKJKHAFUYLSB-UHFFFAOYSA-N	409.530	3.501	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1	815637945	KAKMKIYJXKAFKF-UHFFFAOYSA-N	415.437	3.721	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	813466176	CBISATAVQQVJBO-HXUWFJFHSA-N	411.502	3.744	10	20	HHCD	
CCOCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1	811703729	BVPLWVWVOGNVFV-UHFFFAOYSA-N	409.504	3.533	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)c2c(c1)C[C@@H](C)O2	727861634	YYRJBTIMNBGFAU-LKBVRNOZSA-N	414.508	3.828	10	20	HHCD	
Cc1nn(C)c2sc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc12	726564879	UNGJVZGUWZVIAU-UHFFFAOYSA-N	420.485	3.943	10	20	HHCD	
Oc1cc2c(cc1CNC1CCN(Cc3coc(-c4ccccc4)n3)CC1)OCO2	725852504	BKWUVJJWZJAUIQ-UHFFFAOYSA-N	407.470	3.530	10	20	HHCD	
CSCCc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	727947496	WJFYASDUWZSISX-UHFFFAOYSA-N	411.571	3.788	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1Cl	729061969	MSLWMNUOHXAABY-LBPRGKRZSA-N	406.866	3.659	10	20	HHCD	
Cn1ccc2c(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)cccc21	728877079	JPOQOXUERHYFJE-UHFFFAOYSA-N	412.493	3.923	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(F)ccc3Br)CC2)cc1	726560904	VZDDZUSCJWVUHR-UHFFFAOYSA-N	407.283	3.996	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H]2CCCCNC2=O)c(C)n1-c1ccccc1Br	728701484	GUZWEDJOPSWAMN-GOSISDBHSA-N	418.335	3.597	10	20	HHCD	
CCN(CC)c1ccc(/C=C2\N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)cc1F	739455115	GBQHDHVPYUAGES-WJDWOHSUSA-N	413.405	3.933	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl	735752895	IDQXVZVWMZXKPP-UHFFFAOYSA-N	417.893	3.627	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc(OCC(F)(F)C(F)F)nc1	733972132	MADDJOPYUQMGEZ-UHFFFAOYSA-N	409.430	3.730	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(OCc3ccccc3C)c2)c1	734073668	UJRMUUGHOCKDPU-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1	734072519	DVTFCZUCLDWQKI-UHFFFAOYSA-N	412.392	3.601	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)c1	734075080	YIQXGPBWWNOSQZ-UHFFFAOYSA-N	400.500	3.690	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)cc3)cc2)CC1	731119053	GNGJWHJVZCSEER-UHFFFAOYSA-N	422.573	3.759	10	20	HHCD	
COc1cccc(CNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c1O	730282585	LRZBXNSMVCVBLW-UHFFFAOYSA-N	417.531	3.843	10	20	HHCD	
Fc1cc(CNCc2ccccc2OCc2ccncc2)ccc1N1CCOCC1	916837167	ZLZVGECDADQUJE-UHFFFAOYSA-N	407.489	3.926	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(N2CCCCCC2)c1	741136285	NZIXADHCCDCUED-UHFFFAOYSA-N	405.476	3.785	10	20	HHCD	
Cc1cc(OCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1C(C)C	917831845	BMWWEUSTCHVBIE-HXUWFJFHSA-N	423.557	3.515	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C)cc1	918118382	QIYSUKQXHJRLNK-IFMALSPDSA-N	408.546	3.647	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C(=O)N1c1ccccc1	745882079	MMMBOQUMXJFGGL-UWJYYQICSA-N	419.481	3.891	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3SCCc4sccc43)cc2F)CC1	742645323	PREKEOBNXFBALL-FQEVSTJZSA-N	419.591	3.676	10	20	HHCD	
C[C@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)O1	743312371	PIGQTEBIEVNMHV-WMLDXEAASA-N	400.441	3.506	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3ccco3)c2C)cc1	844253967	OWXUNJVMSARPKT-UHFFFAOYSA-N	409.438	3.832	10	20	HHCD	
O=C(NCC1(N2CCCC2)CCOCC1)N(Cc1ccccc1O)C1CCCCC1	745807503	YLTXIQDEFBPQCX-UHFFFAOYSA-N	415.578	3.882	10	20	HHCD	
Cc1cc(C(=O)N(CCCN(C)C)CCCN(C)C)c(C)n1-c1ccc(F)cc1	747228396	PGEQRCDREOXUGY-UHFFFAOYSA-N	402.558	3.579	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	915148515	YINMOQSCKFMAGQ-UHFFFAOYSA-N	407.474	3.897	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(N2CCOCC2)cc1	743176348	KLIVVDKPZFNXMG-MOPGFXCFSA-N	424.545	3.631	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1F	749931366	YGPFSUMUEWLLSG-UHFFFAOYSA-N	413.537	3.811	10	20	HHCD	
C[C@@H](Cc1ccsc1)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748033306	DBXDTHIPDYHWLM-LBPRGKRZSA-N	422.553	3.677	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)cc2F)CC1	741564614	XCEFEIQHDFSLFY-QZTJIDSGSA-N	417.475	3.666	10	20	HHCD	
CCN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)c1ccc(OC)c(OC)c1	921061775	LEYDUZPSEPJERU-UHFFFAOYSA-N	416.478	3.973	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)CC2)cc1F	753886161	YHPTXSSAQXWLLZ-UHFFFAOYSA-N	401.438	3.696	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@H](Cn3ccnn3)C2)c(C)n1-c1ccc(Cl)cc1	752253371	RBGFKYNLTCHIPN-SFHVURJKSA-N	411.937	3.820	10	20	HHCD	
Cc1noc(C)c1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	920279351	WDUVCXSDVLVUCE-OQLLNIDSSA-N	421.569	3.651	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1C[C@H](O)c1ccco1	758697742	WMPYQCIHKYAUKZ-PMACEKPBSA-N	415.559	3.631	10	20	HHCD	
C[C@H](Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1[N+](=O)[O-])c1ccccn1	768917367	LLOBMBVLWIGLCF-ZDUSSCGKSA-N	408.414	3.504	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(O)ccc1Cl	764351865	KAVBBFLKYHNGLN-UHFFFAOYSA-N	414.811	3.831	10	20	HHCD	
COc1ccc(N2CCC(NCc3cccc(CN4CCO[C@@H](C)C4)c3)CC2)cc1	765322567	LPEFDGXFFHINJX-FQEVSTJZSA-N	409.574	3.675	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)c2c1	760430427	ZXQJDYKRMURNBN-QVKFZJNVSA-N	416.518	3.668	10	20	HHCD	
CCCCCn1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c(C)n1	767198612	IMBPPNXUZWXMOQ-UHFFFAOYSA-N	415.607	3.934	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N	1116948910	AZCCTURIDNTSBJ-UHFFFAOYSA-N	408.252	3.698	10	20	HHCD	
Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1	778542266	HCAWSCUBRFRKFM-QGZVFWFLSA-N	422.554	3.683	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1[nH]cnc1C(=O)c1ccccc1	776319737	IFCVUNJZGZUFKO-UHFFFAOYSA-N	402.498	3.903	10	20	HHCD	
NC(=O)C1CCN(CCc2ccc(NCc3cc(Cl)cc(F)c3O)cc2)CC1	775758839	WVYJSNUOYOAHAS-UHFFFAOYSA-N	405.901	3.537	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCc2cc(O)ccc2C1	775071316	PEKSBZVCNUUUBQ-KRWDZBQOSA-N	419.319	3.949	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NCc2ccc(C(=O)NCCN3CCCC3)cc2)cc1	772995154	CODHCADZFOJKMA-HXUWFJFHSA-N	408.590	3.819	10	20	HHCD	
COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3cc(OC)ccc3O)c2C)c1	779612627	IDDMMBMNEUCTGL-JOCHJYFZSA-N	423.513	3.785	10	20	HHCD	
Cc1cc2c(N3CCC[C@H]3C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ncnc2s1	775403479	JPXPAWNKJDTSSR-BEFAXECRSA-N	409.559	3.912	10	20	HHCD	
C[C@@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C1CCN(C)CC1	777302459	PTTXUZXWLGGUBD-UTKZUKDTSA-N	404.599	3.638	10	20	HHCD	
O=C(NCc1ccccc1O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1	776126690	FLYFFCRRZWYBIZ-UHFFFAOYSA-N	421.419	3.515	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccc(Cl)cc4)n3)CC2)cc1	777878702	JQMYXDMEYCYQSI-UHFFFAOYSA-N	410.905	3.805	10	20	HHCD	
C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783469512	MWOQCEHDOBJHNY-CQSZACIVSA-N	407.422	3.682	10	20	HHCD	
Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	789016177	MOWBOLWGHSXKBH-HNNXBMFYSA-N	413.429	3.954	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)c3cccn32)c(C)n1-c1cccc(F)c1	789241563	YAAYWUYGNIMYIU-FQEVSTJZSA-N	408.429	3.978	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cn(-c3ccccc3)nc2C)cc1	781442202	ATPQLZKFVWEUCA-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@@H](COc4ccccc4)C3)CC2)cc1	780831531	MIBIHLAMLAXMRF-LJQANCHMSA-N	409.530	3.775	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1Cl	789382797	QPIUZYITOIWCCN-UHFFFAOYSA-N	401.894	3.544	10	20	HHCD	
COc1ccc(CNC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(O)c1	794761735	KBEIVGPWAOKMBQ-UHFFFAOYSA-N	424.482	3.731	10	20	HHCD	
COC1(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCOCC1	799959464	ZYEJDDZQKNZHOK-INIZCTEOSA-N	409.958	3.571	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(C)n1-c1cccc(F)c1	796334902	YNCMSZIJIFBSAZ-BEFAXECRSA-N	412.427	3.909	10	20	HHCD	
C[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(N2CCCCC2)c(F)c1	793565640	QTFYOOZXMNLAPE-MRXNPFEDSA-N	412.509	3.546	10	20	HHCD	
COc1cccc(Cl)c1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	790545110	MJYOOGVYYGWGED-UHFFFAOYSA-N	403.910	3.527	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	1318779797	MOGKZEVGQNUTQU-IMOWGURISA-N	420.500	3.704	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cn(C)cc3C(F)(F)F)cc2F)C[C@H](C)O1	1320852069	UPYLKZAEEILHBQ-STQMWFEESA-N	413.415	3.727	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COCc2ccncc2)cc1	1324043719	ZSSIOVQTKZETCN-UHFFFAOYSA-N	405.498	3.906	10	20	HHCD	
CCCCc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	65715805	XLIPNPBMIKSZGB-GOSISDBHSA-N	409.530	3.682	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccn(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1	140995172	KDKZEOPXWAGHAD-IBGZPJMESA-N	419.529	3.612	10	20	HHCD	
CCOc1ccc(OCCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	145494315	YMVJICXDUJFQAI-LJQANCHMSA-N	412.530	3.958	10	20	HHCD	
O=S(=O)(Nc1cc(F)cc(F)c1Br)c1cccc2nsnc12	525957044	KRDCGVWBKWNGIC-UHFFFAOYSA-N	406.233	3.533	10	20	HHCD	
CCCN1C(=O)CCc2cc(NC(=O)N3CCOc4cc(N(C)C)ccc43)ccc21	543887572	YFMNNLHEWPPTKX-UHFFFAOYSA-N	408.502	3.873	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	727170448	QFHCIWAGIZOJMQ-UHFFFAOYSA-N	416.543	3.619	10	20	HHCD	
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NCc1ccc(N(CC)CC)cc1	728396583	QGZRKMKATNZDDQ-UHFFFAOYSA-N	410.562	3.966	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1	729062765	DLZCEHCLFBIRDW-CQSZACIVSA-N	402.450	3.788	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1F	731398384	BHGARLQKYJYKPL-UHFFFAOYSA-N	418.488	3.969	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1	739816262	ZFKLIGAKSHIUAM-IBGZPJMESA-N	401.466	3.552	10	20	HHCD	
CCOc1ccc(N(C)CC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1	739922978	TYQCOVNUQLIITJ-UHFFFAOYSA-N	406.530	3.700	10	20	HHCD	
COC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c(OC)c(OC)c1	741727804	YMHKXJQHJBZYSC-UHFFFAOYSA-N	409.442	3.545	10	20	HHCD	
O=[N+]([O-])c1c(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2ccccn12	742423179	FANKTQHWHFXKOG-CYBMUJFWSA-N	403.389	3.925	10	20	HHCD	
C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1	742582935	FDSGDDMLCUVLLI-ZDUSSCGKSA-N	423.391	3.941	10	20	HHCD	
Cc1cccc([C@@H](CC(=O)N(Cc2ccco2)Cc2ccccc2O)NC(N)=O)c1	743429924	BTQVHRKVCPYOKD-HXUWFJFHSA-N	407.470	3.622	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)Cn1ccnc1C	745789680	BGGFVWXQVRVLNI-ZDUSSCGKSA-N	409.328	3.527	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCC(=O)N1Cc2ccccc2C1	745816236	VLYJYZRKMPRFFH-UHFFFAOYSA-N	422.573	3.995	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(Oc2ccccn2)cc1	749730441	QFSPKDKZPCNHAD-UHFFFAOYSA-N	414.512	3.568	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)Oc3ccccc3)CC2)c1O	750043135	DNJALRKSLIJQNM-UHFFFAOYSA-N	402.878	3.955	10	20	HHCD	
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	752005234	PDFPRKXAWQQYEX-YZIUBNRHSA-N	421.557	3.690	10	20	HHCD	
CC(C)n1nnnc1-c1ccccc1NC(=O)NCc1ccc(N2CCCC2)cc1	753055411	ZYHAUJZPVXZMLH-UHFFFAOYSA-N	405.506	3.843	10	20	HHCD	
CC(C)Oc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	754840864	WTZKKPWIPIQRRB-UHFFFAOYSA-N	405.445	3.869	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccnc2-c2ccccc2)cc1	755062703	IEBYAHXZSSUWRU-UHFFFAOYSA-N	402.498	3.850	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ncc(C2CCCCC2)s1	756103697	VPVBRZUMUMMMNQ-UHFFFAOYSA-N	400.548	3.820	10	20	HHCD	
Cc1cc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1Br	759594921	OMRRCBPELDBMAC-WNPFHQFXSA-N	420.259	3.752	10	20	HHCD	
O=C(NCCOc1ncccc1Cl)N(Cc1ccco1)Cc1ccccc1O	761780361	IDZPCDYXSUBTSX-UHFFFAOYSA-N	401.850	3.824	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1	761974216	VFPYQPJESCUNRG-QMMMGPOBSA-N	413.199	3.702	10	20	HHCD	
CC1(C)C[C@H](NC(=O)c2cc(O)cs2)C[C@](C)(CNC(=O)c2cc(O)cs2)C1	765402913	KGIZYFBWKCNJHU-YUNKPMOVSA-N	422.572	3.966	10	20	HHCD	
C[C@H](NCCNC(=O)c1ccccc1Cl)c1ccc(N2CCOCC2)cc1Cl	765975378	DVNJLFQBXVVLEY-HNNXBMFYSA-N	422.356	3.911	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NC3CCN(Cc4ccccn4)CC3)C2)cc1	766236604	FZAYMVAICVOMLN-FQEVSTJZSA-N	416.516	3.906	10	20	HHCD	
CC(=O)Nc1cccc(NC(=S)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1	767912352	ABTQSTRYWNRSNX-UHFFFAOYSA-N	411.575	3.984	10	20	HHCD	
CCC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1	768015357	GYTOJOVSZPYMHP-UHFFFAOYSA-N	415.559	3.611	10	20	HHCD	
O=C(Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)Nc1ccc(N=Nc2ccccc2)cc1	768458242	CDIPEIYPBUTZSL-UHFFFAOYSA-N	422.357	3.719	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1OC	768465351	ZQZJUHDAQXLTHV-KRWDZBQOSA-N	410.470	3.550	10	20	HHCD	
Oc1ccc(Br)cc1CN1CCC(c2nc(-c3ccccn3)no2)CC1	769211008	RZWWSMPNPZWTKU-UHFFFAOYSA-N	415.291	3.979	10	20	HHCD	
C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1ccc(N2CCC(CO)CC2)cc1	769686569	WBBIHQAAPVUUOM-ZWKOTPCHSA-N	405.583	3.677	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccnc(O)c1Br	770820718	VOJIWKPOABFMGU-UHFFFAOYSA-N	418.335	3.741	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1-c1cccc2cccnc12	773989709	PXHSWEQPHQUFAK-HNNXBMFYSA-N	400.486	3.681	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1nnc(-c2cccc(Br)c2)s1	775829802	QWHKHAQNOJFWDO-UHFFFAOYSA-N	405.277	3.995	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)ccc1O	776747904	QORLAMVIYXYHNB-UHFFFAOYSA-N	407.385	3.918	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCC[C@H]1CCCCO1	780314839	LBKWGWDPWGKQST-LBFFYKKLSA-N	424.613	3.805	10	20	HHCD	
O=C1CCc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc2N1	782895689	DFJCIVNVPYKLRE-UHFFFAOYSA-N	421.497	3.577	10	20	HHCD	
COC(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1	783485587	JRUJYFDODKKUGC-MRXNPFEDSA-N	417.465	3.788	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc([C@H]4C[C@@H]4C)o3)cc2)CC1	787330395	VUQJHEIOMKTDNN-UWJYYQICSA-N	409.530	3.572	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1	787854259	HZZQWEBUPOLBBF-OAHLLOKOSA-N	419.472	3.628	10	20	HHCD	
COC[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)[C@@H]1CCCO1	788622729	HJBUIKHUVWFDDN-HERUPUMHSA-N	423.145	3.762	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(C)=O)c2ccccc12	790411288	JGNWRVVALXTPGX-UHFFFAOYSA-N	400.456	3.703	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ncc(C(C)(C)C)s3)CC2)cc1	790466492	QVISLAVGQSOFCU-UHFFFAOYSA-N	402.608	3.751	10	20	HHCD	
CCc1nsc(N2CCCN(Cc3ccc(N(C)C)cc3C(F)(F)F)CC2)n1	792842540	JBVWZCIATQGRKV-UHFFFAOYSA-N	413.513	3.898	10	20	HHCD	
Cc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(I)cc2)c1	793569316	MYESSPPBLSQUHI-LBPRGKRZSA-N	410.255	3.595	10	20	HHCD	
COc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c(O)c1	794383940	UKCWCBMMJMSRAT-UHFFFAOYSA-N	414.465	3.638	10	20	HHCD	
CC[C@@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1ccc(F)cc1O	796993858	LEWGBXMJMIGOBG-AUSIDOKSSA-N	411.477	3.997	10	20	HHCD	
COc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OCC(F)(F)F	797612369	CUULAHGOFZSTKQ-LLVKDONJSA-N	414.380	3.800	10	20	HHCD	
C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCSc1nccs1	798964970	RVYDSDWDGRYBAU-NSHDSACASA-N	401.351	3.972	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc(NC(=O)OC(C)(C)C)s1	800507474	QTHQQLPQRSIIJK-UHFFFAOYSA-N	418.563	3.959	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2ccco2)n1CC	800696504	YCCSNKJIKIXBQB-UHFFFAOYSA-N	413.547	3.765	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)cc1	806755792	WZKJBJVSGSAYEB-UHFFFAOYSA-N	402.882	3.839	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C(F)F)sc3c2)c1	806885523	GRKFNSWLBJECFO-VIFPVBQESA-N	421.425	3.764	10	20	HHCD	
COc1ccccc1[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807673027	LXMGAZSRRYCPLL-DYESRHJHSA-N	409.530	3.692	10	20	HHCD	
CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2cc(Cl)cc(C)c2O)CC1	808687071	ICUKQMXFMCOWKU-MRXNPFEDSA-N	401.938	3.873	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1	808920526	AFXOVEPMCDOQJD-UHFFFAOYSA-N	418.497	3.975	10	20	HHCD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(Cc2cc(Br)cc(Br)c2O)[C@H]31	809697466	HGDWDNNRUHKVQO-AUTCDRCXSA-N	417.141	3.772	10	20	HHCD	
COc1cccc(CNCc2sc(N3CCOCC3)nc2-c2ccccc2)c1O	809740020	JXNWXIDJLDMHOB-UHFFFAOYSA-N	411.527	3.651	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(C4CCCC4)cc3)cc2)C1	810182358	CAZPEPAHQXWPMZ-JOCHJYFZSA-N	405.542	3.976	10	20	HHCD	
NC(=O)NC(=O)CCCSC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814772116	NVAFJZBDCVMDMQ-JYRVWZFOSA-N	405.526	3.580	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn2ccnc12	815430824	ZXVAKTHEWWMGKS-UHFFFAOYSA-N	419.529	3.667	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)nc1	815533187	NBWQFAPIEFXRGA-UHFFFAOYSA-N	406.438	3.706	10	20	HHCD	
CC1(C)CCc2ccccc2[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	857501397	NKDFDAVSCIDPOS-GOSISDBHSA-N	402.516	3.597	10	20	HHCD	
CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O	857514255	LWVGPRGOAXJLDX-FQEVSTJZSA-N	424.950	3.804	10	20	HHCD	
CN(C)c1cc(F)c(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1F	863986981	JBOXEQGRXRRQMG-UHFFFAOYSA-N	409.502	3.818	10	20	HHCD	
COc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc(OC)c1OC	914506249	JNLRZVJYYMHGHN-UHFFFAOYSA-N	400.519	3.758	10	20	HHCD	
CN(CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C(=O)c1cccs1	914725377	LUZJXQMIFOSTJY-UHFFFAOYSA-N	411.527	3.708	10	20	HHCD	
CCOc1ncccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	916681150	UZUMGYROAQEALR-GASCZTMLSA-N	402.470	3.555	10	20	HHCD	
CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	917834868	SBFSXTJRRZVQCN-UYAOXDASSA-N	423.557	3.597	10	20	HHCD	
CCCCOc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	918205328	IFWVUUFNAMBHIB-UHFFFAOYSA-N	415.509	3.841	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCC2(CC1)OCCO2	918413720	CCTWPMOSKDYPIM-UHFFFAOYSA-N	408.458	3.842	10	20	HHCD	
O=[N+]([O-])c1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1N1CCCCC1	920181034	RQIOIOLCZUXOOI-UHFFFAOYSA-N	410.518	3.712	10	20	HHCD	
COc1ccc(C(=O)N2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)cc1OC	921048225	MRULMZVNRXEVTN-UHFFFAOYSA-N	412.530	3.799	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O	1321389687	YQIYSYNUZHZQHY-UHFFFAOYSA-N	422.784	3.518	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(N2CCCC2)cc1	1321893687	VVPUMBFIZVJVTO-UHFFFAOYSA-N	403.548	3.548	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1cc(Br)cc(Br)c1O	1338964022	MEBVCHXNWIBSIP-UHFFFAOYSA-N	415.081	3.895	10	20	HHCD	
C[C@H](NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	1340541501	OIALCOWUGHGTRV-SJORKVTESA-N	409.546	3.958	10	20	HHCD	
Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)s1	1794980829	UHDQEBDFBIQDLH-BTTYYORXSA-N	420.918	3.687	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1cc(Cl)ccc1I	48606772	UZGCDTOEJGDHQS-UHFFFAOYSA-N	401.631	3.922	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)[nH]c2c1C(=O)CCC2	57512501	ZDVHUTHFOWTPHQ-LJQANCHMSA-N	409.530	3.730	10	20	HHCD	
CN(Cc1ccccc1)CC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	97549401	NTVDXKSKZWETOL-UHFFFAOYSA-N	422.617	3.555	10	20	HHCD	
O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NCc1ccccn1	110956029	OYXZOHIFAXDTKR-UHFFFAOYSA-N	406.433	3.916	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(C)nc4)c3)CC2)cc1	303590135	USQVZCDKCSRAOJ-UHFFFAOYSA-N	417.509	3.940	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3)ccc21	556929443	BMMPCKLFVHTUKH-QGZVFWFLSA-N	411.468	3.661	10	20	HHCD	
Cc1ccnc(-c2ccc(NC(=O)c3ccc(NC(=O)C4=S=CC=C4)cc3)cc2)n1	604256115	IMISQCUTQJICAD-UHFFFAOYSA-N	414.490	3.920	10	20	HHCD	
C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)Nc1cccc(N2CCCC2)c1	725850489	BGAWWYITNZOZCV-ZDUSSCGKSA-N	418.881	3.671	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3ccc([C@H]4C[C@H]4C)o3)cc2F)CC1	730193178	YCFACIMJUGWFOJ-XLIONFOSSA-N	413.537	3.933	10	20	HHCD	
CCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	731049949	XDZUJPUMEXXFNU-OAQYLSRUSA-N	414.594	3.761	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc4cccnc34)cc2)CC1	731131467	JNLXYLAJLOWHJQ-UHFFFAOYSA-N	402.498	3.726	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)c1	734017808	ZPVPPNRQLRQTBA-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N(Cc1ccco1)Cc1ccccc1O	735927482	VTTMMBQLXGWZKM-KRWDZBQOSA-N	408.429	3.706	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccccc2SCc2ccccc2)c1O	737285994	OYRKSLOXVGPMIX-UHFFFAOYSA-N	422.506	3.948	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(-c3csc(CS(C)(=O)=O)n3)c2C)cc1	739987121	DYHIUHGTPYWEPO-UHFFFAOYSA-N	404.513	3.549	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	740919353	OLXUBFJYOFHHEI-UHFFFAOYSA-N	414.550	3.509	10	20	HHCD	
O=S(=O)(Cc1cccc(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742334885	VABQRSCLCDIZLC-MRXNPFEDSA-N	414.449	3.516	10	20	HHCD	
CCOc1ccc(C(=O)NCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	742822903	ZQBSLQSJAHHZOC-UHFFFAOYSA-N	423.557	3.900	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccco1	743340569	HKGUKGOHYSMYGJ-PMACEKPBSA-N	415.534	3.759	10	20	HHCD	
CS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	743427887	DOXKNBWFRBPUFH-UHFFFAOYSA-N	419.886	3.885	10	20	HHCD	
COc1ccccc1[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nccn1C	745401237	RCBROHAWAPVTJV-QFIPXVFZSA-N	420.513	3.602	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)cc1F	746388883	OGULZCDHQRZZCS-UHFFFAOYSA-N	419.444	3.950	10	20	HHCD	
Cc1cc(C(=O)CN2CCO[C@@H]3C[C@H](N(C)C)CC[C@H]32)c(C)n1-c1cccc(F)c1	749546317	OSYMQRLIOMXRBI-ZFJSRUIDSA-N	413.537	3.599	10	20	HHCD	
C[C@@H](NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1cc(Cl)ccc1O	756465641	JYVTTYYPZDFYTD-QAPCUYQASA-N	418.921	3.570	10	20	HHCD	
Cn1cc(-c2ccccc2CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1	759623535	XTGDTXLXEQGFGR-NRFANRHFSA-N	420.513	3.684	10	20	HHCD	
CCCn1nc(C)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	759803045	KFBGXTNZYLJAFI-INIZCTEOSA-N	406.477	3.910	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)c(C)n1-c1ccccc1	760187385	CETJXLVZXYLPAZ-SFHVURJKSA-N	419.529	3.559	10	20	HHCD	
CCOCCC1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCC1	760811772	HUOJVOWPZFBHNL-UHFFFAOYSA-N	417.594	3.682	10	20	HHCD	
COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2cccc(Br)c2O)cc1	764805139	IRKMYANEPYFCIX-XIKOKIGWSA-N	423.307	3.739	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1	765264692	CMWSBAGPEAGIHK-SFHVURJKSA-N	401.576	3.577	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc1F	765484385	CGYOTWXLJCSTCM-UHFFFAOYSA-N	421.494	3.595	10	20	HHCD	
COc1ccc(C(=O)NCc2cccc(Br)c2O)cc1OC(F)F	765770422	QQMVVQHFYZFKFA-UHFFFAOYSA-N	402.191	3.695	10	20	HHCD	
CCCn1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C1CC1	765867499	WPAIWXDGJJWCRV-GOSISDBHSA-N	416.953	3.924	10	20	HHCD	
CSc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1F	765980225	XOFUOJZKLJZRJV-HNNXBMFYSA-N	408.564	3.633	10	20	HHCD	
Cn1cc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2ccccc21	768914965	HFPMISQUNKQPOS-IBGZPJMESA-N	411.933	3.861	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)nn2c(C)cc(C)nc12	769290159	HZYRTMDBMIISBO-UHFFFAOYSA-N	417.307	3.785	10	20	HHCD	
CS[C@H]1CCCCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	772261844	QODXVGWSONHHSG-ZDUSSCGKSA-N	424.478	3.728	10	20	HHCD	
CCc1cnccc1[C@@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	773506589	QQRTUSIEYMAHFY-IXDOHACOSA-N	414.525	3.957	10	20	HHCD	
CC(C)c1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccccc1Cl	773761164	NYNCYQIXJUUHGY-ZDUSSCGKSA-N	414.893	3.816	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(Cl)c(Cl)cc1O	774132836	DFKSJMRLQPQXPD-NSHDSACASA-N	403.331	3.800	10	20	HHCD	
O=C(NCCc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCCC2)cc1	774726004	UHDKBSGXQQNNAN-UHFFFAOYSA-N	420.340	3.569	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cccc(Cl)c3F)cc2F)C[C@@H](C)O1	774792755	RUHUMUIZPWZTCL-OKILXGFUSA-N	424.875	3.927	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1	775487889	FRDVJPKJALCFBS-PXDATVDWSA-N	407.602	3.896	10	20	HHCD	
Cc1cccc(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1O	775645536	AXZITULCJAEKKI-UHFFFAOYSA-N	415.342	3.514	10	20	HHCD	
Cc1cc(Br)cc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1O	775650354	YWXFOJMJMPHUKN-UHFFFAOYSA-N	407.283	3.560	10	20	HHCD	
Cc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1-c1ccccc1	779276815	VJIZWWDCOUKVDF-UHFFFAOYSA-N	410.495	3.669	10	20	HHCD	
Cc1nc([C@@H]2COCCN2C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)no1	779695725	VOTCSIDNAVIPQB-SFHVURJKSA-N	400.866	3.653	10	20	HHCD	
O=S(=O)(NC1CCCC1)[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	781920710	KTAFUQGMJAXBKZ-QFIPXVFZSA-N	405.608	3.503	10	20	HHCD	
COCCOc1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784062686	ROKAJKFYUHENIU-UHFFFAOYSA-N	411.502	3.598	10	20	HHCD	
COc1ccc(C)cc1CCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	785521460	AJNCZLSIGSWHJI-UHFFFAOYSA-N	424.541	3.729	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(F)c(Cl)cc3Cl)cc2)CC1	786258556	ZZQBIGNRCYJODI-UHFFFAOYSA-N	424.303	3.731	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)c1	787355616	ASBLEWMSFIXGJF-UHFFFAOYSA-N	424.906	3.848	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1cccc(C(F)(F)F)c1O	788644359	MWWGQCGZBIWMLP-CQSZACIVSA-N	409.452	3.553	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	797621356	AKBNMWYWFNQOGQ-JTQLQIEISA-N	422.363	3.919	10	20	HHCD	
CC(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	802677592	YQEIKCWHLAMMLS-UHFFFAOYSA-N	424.593	3.797	10	20	HHCD	
CCC[C@@]1(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCOC1	804537706	CKPUWDIOQFOIOF-LBKOFNPBSA-N	424.613	3.805	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)[C@@H](C)c3ccccc3)cc2)CC1	805025870	XGAKABIPJMRGEM-WOJBJXKFSA-N	407.558	3.848	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccccc2OC)CCC1	808747167	CNJGXINWFDXHFV-UHFFFAOYSA-N	424.541	3.768	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)cc1	812984774	SQMNHPCFQQIYAR-UHFFFAOYSA-N	412.437	3.906	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	813646736	MYUVGSVOSYIGOB-LJQANCHMSA-N	416.566	3.650	10	20	HHCD	
Cc1cc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nc(N2CCCC2)n1	814167011	RBAOSHJGDIWTGA-UHFFFAOYSA-N	407.493	3.862	10	20	HHCD	
COc1ccc(C)cc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	915748303	DVALVQJLODMCJU-UHFFFAOYSA-N	405.498	3.709	10	20	HHCD	
CC1CCN([C@@H](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C(C)C)CC1	916438764	BQLXBVGYVJWOER-YADHBBJMSA-N	417.594	3.839	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1	917752063	QLMJUGNOQSYERJ-UHFFFAOYSA-N	423.343	3.864	10	20	HHCD	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918220274	AAIZQFWUOQAJBM-CQSZACIVSA-N	421.463	3.968	10	20	HHCD	
COc1cccc(OC)c1Oc1ccc(CNC(=O)N(C)Cc2ccccc2O)cn1	918222188	SOJBSEZZTLWIFV-UHFFFAOYSA-N	423.469	3.938	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)CCC(F)(F)F	1319928910	ONZQXMMBTOEQLJ-LBPRGKRZSA-N	404.388	3.673	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(NC(=O)c4ccccc4)cn3)cc2F)CC1	1325014237	FYRZGTJIKBSFQW-UHFFFAOYSA-N	419.504	3.837	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccn(-c4cc(C)ccc4OC)n3)CC2)cc1	1340946730	WQTNQQZRPIVOLR-UHFFFAOYSA-N	420.513	3.550	10	20	HHCD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(N2CCCC2)cc1	1341523850	LAKPVFSYAXDHRL-QFIPXVFZSA-N	424.541	3.967	10	20	HHCD	
Cc1cc(C(=O)CSC2CCCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	7180675	CYGQNCPSZIGSON-UHFFFAOYSA-N	406.573	3.990	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc(C4CC4)n[nH]3)c2C)cc1	11494862	KOWIUHAWZUKFMI-UHFFFAOYSA-N	410.499	3.851	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1	216909193	PLZKFTCTIJIDDX-BXUZGUMPSA-N	423.296	3.938	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCCOc3ccccc3F)cc2F)CC1	303342935	WNWXAYKIQCYWEY-UHFFFAOYSA-N	417.500	3.582	10	20	HHCD	
Cc1c(CNC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)n(C)c2ccccc12	471723011	DFECSSCDWRCBEN-JOCHJYFZSA-N	420.513	3.604	10	20	HHCD	
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NCc1c(C)c2ccccc2n1C	472239889	JCRVJQMDKHNFCM-UHFFFAOYSA-N	406.530	3.920	10	20	HHCD	
CCc1nnnn1-c1ccccc1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	525150450	SIMZUPRZGHBKNI-UHFFFAOYSA-N	418.501	3.695	10	20	HHCD	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	556282144	ZHYAHIXNMDDWKN-SFHVURJKSA-N	407.514	3.834	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](CN(C)C)Oc4ccccc43)ccc21	675491679	NNMRTJNNFFIHSO-FQEVSTJZSA-N	421.541	3.874	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccc(F)cc3F)ccc21	728637836	SLEIHWSTJXIUPZ-UHFFFAOYSA-N	416.424	3.978	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)c1	729056313	XLHFXWLMZOWYFU-HNNXBMFYSA-N	409.527	3.797	10	20	HHCD	
C[C@@H](NC(=O)N1CCCO[C@@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	729858251	WTAZLTUDXXYFRV-AUSIDOKSSA-N	409.530	3.757	10	20	HHCD	
CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	730127507	AICMZRCPNHLLHO-OAQYLSRUSA-N	412.553	3.788	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1F	731364208	HZMCCQGWWKLVOT-UHFFFAOYSA-N	422.545	3.871	10	20	HHCD	
CC[C@H](NC(=S)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccs1	734373338	ITMSFTLVPIYYJX-WMZOPIPTSA-N	416.616	3.565	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1ccc(NC(=O)c2ccco2)cc1	734513258	WZUWNFNVIMPQJX-UHFFFAOYSA-N	416.528	3.970	10	20	HHCD	
Cc1csc([C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)n1	745647071	IMAQEHYMGNDLAN-LJQANCHMSA-N	418.538	3.502	10	20	HHCD	
CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	745648061	NUIOAVGPRMPWHE-HXUWFJFHSA-N	413.537	3.950	10	20	HHCD	
O=C(N[C@H]1CCc2c(O)cccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745865976	XDFOZFDMHACYMZ-KUHUBIRLSA-N	417.456	3.949	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@@H](N2CCCCC2)C1	745904990	VZIBSAHNRUPTMX-PKOBYXMFSA-N	422.520	3.527	10	20	HHCD	
CN(C)c1ccc(CN/C=C2/C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1F	746691399	WHKJDEBZVSZBFK-XDJHFCHBSA-N	416.456	3.604	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3scnc3C(C)(C)C)cc2F)CC1	746849150	NSCWTQAJNVOHFJ-UHFFFAOYSA-N	404.555	3.652	10	20	HHCD	
CC(C)(C)OC(=O)NC1(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCC1	746887214	SUGDEYCVTMTCMK-SFHVURJKSA-N	418.534	3.737	10	20	HHCD	
CCN(CC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C)[C@H]1CCS(=O)(=O)C1	747100467	ZSIVKOZUKILHFH-SFHVURJKSA-N	420.600	3.508	10	20	HHCD	
OC1CCN(c2ccc(CNc3nc(-c4cccnc4)nc4c3CCC4)cc2F)CC1	747821765	PYSCXXGSBQZTJJ-UHFFFAOYSA-N	419.504	3.740	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(N(C)C)n1	750423691	JYDCQXRXBAJQAR-HOTGVXAUSA-N	415.513	3.530	10	20	HHCD	
CC(C)c1sc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)nc1-c1ccccc1	751589321	PEDJDMCELPSIIS-OAHLLOKOSA-N	418.544	3.892	10	20	HHCD	
CC(C)(C)[C@@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	753228832	OYYMABYEOCWDCA-CYBMUJFWSA-N	408.545	3.763	10	20	HHCD	
CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C(C)C	753630619	BMHBSTOMYKUEEM-UHFFFAOYSA-N	415.509	3.679	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3C)CC2)cc1F	753858576	WWTRLGDIZPAVEZ-OAHLLOKOSA-N	405.901	3.945	10	20	HHCD	
COc1ccc([C@@H](CN[C@H](C)c2ccc(C)c(C)c2O)N2CCOCC2)cc1OC	756365121	YNHHTCYFMHYQDJ-WIYYLYMNSA-N	414.546	3.750	10	20	HHCD	
Cc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(O)c1	756429053	DCYDMCMUVJBLCS-MSOLQXFVSA-N	402.560	3.972	10	20	HHCD	
O=C(NC1CCC(O)(c2ccccc2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1	761039582	CZNLWZWAOIWFDL-SMCIBBBJSA-N	424.541	3.913	10	20	HHCD	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc([C@@H]2CCCO2)no1	762246116	ZATNDESVNAFHQW-CVCOIXHCSA-N	407.542	3.817	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)cc1	763758272	MGONAGJHUHCHND-UHFFFAOYSA-N	423.538	3.564	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1	764925768	GCXCXEMIZYXIML-QGZVFWFLSA-N	411.587	3.671	10	20	HHCD	
CC[C@@H](C)Oc1cc(CNC(=O)NCc2cccc(Br)c2O)ccn1	765538937	YENFPIJPLLAOBM-GFCCVEGCSA-N	408.296	3.726	10	20	HHCD	
CN(CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccc(N2CCCCC2)cc1	766838509	XPQRKVCBSYHQMH-UHFFFAOYSA-N	401.580	3.896	10	20	HHCD	
COC(=O)CN(Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1cc(Cl)ccc1O	767899826	OPWGEKBIZKQKFG-UHFFFAOYSA-N	423.803	3.549	10	20	HHCD	
C[C@H]1CC(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C[C@@H](C)O1	768054055	FIFGJHAEECAHQO-XYAQQUNYSA-N	424.613	3.802	10	20	HHCD	
O=C(c1cccc(Cl)c1)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	768236671	IPPMCLHGZOREDL-UHFFFAOYSA-N	410.257	3.565	10	20	HHCD	
CCCCOc1cc(OC)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	769356437	SUXZOZCQLNTYEP-UHFFFAOYSA-N	412.530	3.983	10	20	HHCD	
Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	769899194	HHGBLIPPDKESEP-FOIQADDNSA-N	402.516	3.686	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC2CCN(c3ccncc3)CC2)cc1	772611419	GRMKFVGHCWQLAQ-UHFFFAOYSA-N	409.578	3.986	10	20	HHCD	
C[C@@H](NCCCc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1	773035760	KEVMZZVTXBYLOI-QGZVFWFLSA-N	400.494	3.717	10	20	HHCD	
Cc1cccc(CNCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c1O	776050165	PIVLMMFYKCBHKU-UHFFFAOYSA-N	414.502	3.608	10	20	HHCD	
COC(=O)[C@@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccc2c(c1)CCO2	779183499	VOCHTWKOKCDCPG-DEOSSOPVSA-N	419.477	3.910	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)cc1Br	784026224	SSGISGPVQAFFSG-UHFFFAOYSA-N	421.291	3.541	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@@H](Oc3ncccc3F)C2)c1O	787290575	OQQLJAUFCGLTAM-CQSZACIVSA-N	411.271	3.741	10	20	HHCD	
C[C@H](CN1CCN(c2ccccn2)CC1)N[C@H](C)c1cccc(C(F)(F)F)c1O	788603547	RHYIOVMRVARJAA-HZPDHXFCSA-N	408.468	3.667	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1	788911011	MQQIYKALPHWUGD-UPVQGACJSA-N	419.569	3.821	10	20	HHCD	
CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	790911594	QSEGJCNDJHHNFR-UHFFFAOYSA-N	423.557	3.808	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1	791247400	YAQGUHWHAJFVBP-UHFFFAOYSA-N	413.474	3.526	10	20	HHCD	
O=C(CCSCc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	792206307	GCAJQJMTTQACQB-UHFFFAOYSA-N	402.535	3.727	10	20	HHCD	
COc1ccc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)c(O)c1	794379002	LSILISWVHFVFEQ-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1	795330431	LTELZGUCOHTMRE-UHFFFAOYSA-N	407.488	3.810	10	20	HHCD	
CCOC(=O)[C@]1(COC)CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	799065891	UJEOHKNQRKXIFJ-OAQYLSRUSA-N	404.532	3.588	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(C(=O)N(C)C)CC3)cc2Cl)C1	800048909	JXJHOMQCKOPRDT-INIZCTEOSA-N	420.985	3.586	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3Oc3ccncc3)c2)CC1	800951072	BSZYRAHDPGPORC-UHFFFAOYSA-N	416.481	3.795	10	20	HHCD	
CCn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	801989913	NWYKTIBIVYCBIJ-UHFFFAOYSA-N	421.545	3.658	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](CNC(C)=O)C1	802045329	NKGLJFAGMNMRCD-HXUWFJFHSA-N	420.561	3.725	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	802610794	RLUZFWFNINKCAB-UHFFFAOYSA-N	405.838	3.721	10	20	HHCD	
CCCC1CCC(N(C)C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1	804317697	MRAYLFZTGRYQJW-UHFFFAOYSA-N	415.578	3.598	10	20	HHCD	
CC[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cccc(Cl)c1O	806154349	FOVFLRYRTZBBJQ-IBGZPJMESA-N	403.910	3.880	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2ccc(N(C)C)cc2)c(C)cc1Br	806740541	SIADIDFFASMXLY-UHFFFAOYSA-N	420.307	3.932	10	20	HHCD	
CC(=O)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1	808013145	OGJSAYTZOZYDRP-UHFFFAOYSA-N	407.282	3.886	10	20	HHCD	
COc1cc(Br)cc(CN(Cc2ccco2)C2CCN(C)CC2)c1O	809766653	RTIRDMIOWQYAMF-UHFFFAOYSA-N	409.324	3.853	10	20	HHCD	
COc1ccc(O)c(CN[C@@H](C)c2ccc(Br)cc2OCCCO)c1	812782825	KNUAUMCOHNAPAI-ZDUSSCGKSA-N	410.308	3.775	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(Br)ccc3O)CC[C@@H]21	814176880	UYFNKAJKIHQINU-CJNGLKHVSA-N	411.340	3.986	10	20	HHCD	
Cc1cc(C)c([C@@H](C)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)c1	815591939	UXHSPBBNJNXTOG-GOSISDBHSA-N	402.560	3.761	10	20	HHCD	
CCN(CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1	857473282	VYDBBOFGXLWPHG-LJQANCHMSA-N	401.938	3.653	10	20	HHCD	
Cc1ccc(-c2nc(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cs2)o1	914754171	HMMWWACZAWGQMM-UHFFFAOYSA-N	411.527	3.749	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc4nnc(C(F)(F)F)n4n3)cc2F)C[C@H](C)O1	917085910	BELQWEBGDUJVDN-RYUDHWBXSA-N	424.402	3.508	10	20	HHCD	
CC(C)COc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	918039306	FSENEZPEDLIPPY-IBGZPJMESA-N	424.545	3.745	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1	918112598	GQHAETSNTPWIOY-JOCHJYFZSA-N	407.558	3.630	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1	918430378	YPDYTJNNIMKUBM-UHFFFAOYSA-N	408.546	3.778	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)NC(C)C)CC2)cc1	1319397348	OCCWSLKRQXLNSG-UHFFFAOYSA-N	410.518	3.578	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	1323707051	KMDUGVBWSBRTFA-UHFFFAOYSA-N	416.699	3.978	10	20	HHCD	
O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@H]3F)cc2)CCC1)c1cc(O)c(O)c(Cl)c1	1790433356	DPHNQIGVGSMCBE-GOEBONIOSA-N	418.852	3.857	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(Cn4nc(C)cc4C)c3)CC2)cc1	109715910	KKIQTGKYTKJLCU-UHFFFAOYSA-N	418.541	3.909	10	20	HHCD	
COc1ccc(Cl)cc1NCCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	109345373	QZPHOPZEAOZLAR-INIZCTEOSA-N	417.937	3.865	10	20	HHCD	
CC(=O)c1ccccc1OCCOC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	10877982	KPIOSNKVRTXVOW-UHFFFAOYSA-N	414.413	3.900	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1	21871328	IBNQXUUGGVNJEK-UHFFFAOYSA-N	417.575	3.948	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)s3)CC2)cc1F	302132978	YUZOGFSQKVWYSD-UHFFFAOYSA-N	402.470	3.742	10	20	HHCD	
CN(c1ccc(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)cc1)C1CCCCC1	64114869	MANCSHOKMYENAH-UHFFFAOYSA-N	418.519	3.623	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNC(c3ccccc3)c3ccccc3)CC2)cc1	30289784	ZCFXARZYNNLSEH-UHFFFAOYSA-N	415.537	3.723	10	20	HHCD	
CC(C)n1cc(Br)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	97465186	SHPKEWWAAKCHTI-UHFFFAOYSA-N	420.351	3.940	10	20	HHCD	
CN1CC[C@H](c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)c2ccccc21	544238243	AOVUBOISRZHCOL-SFHVURJKSA-N	416.506	3.925	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1	806176434	LWLQQHPYDMKCLX-IERDGZPVSA-N	400.519	3.920	10	20	HHCD	
Cc1ccc(C2=NO[C@@H](CNC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)cc1	807209993	IKPNUZMNNBLEGE-OAHLLOKOSA-N	408.285	4.000	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3nc(Br)sc3C3CC3)CC2)cc1	806284789	PNQWYUYWDQPUMB-UHFFFAOYSA-N	422.348	3.754	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2nnc(C)o2)c1	802609675	ITHXPJHYYYUBKJ-UHFFFAOYSA-N	408.458	3.518	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(N(C)C)cc1	807674410	KLQDTTHIVKZZBR-KXBFYZLASA-N	422.554	3.903	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2	800563644	JRFAUMNVTVBKFA-GFCCVEGCSA-N	409.408	3.728	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3ccc(F)c4ccccc34)nc12	808768722	OZBYMKIGIZTDEO-ZDUSSCGKSA-N	408.433	3.755	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2Cl)C1	800050361	ULXWYCNEXZYTTD-HNNXBMFYSA-N	420.962	3.910	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)ccc1F	802177514	JMJATSDAGRBLQI-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
Cc1cc(-c2nnc(N3CCN(c4ccccn4)CC3)n2C)c(C)n1-c1ccccc1	800748544	YVJNQKGAOSPTEK-UHFFFAOYSA-N	413.529	3.611	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(N2CCNC2=O)ccc1Cl	807838817	RKOVIIFVFUYBDB-UHFFFAOYSA-N	414.676	3.812	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	802005647	QVJMSDBAGOSBAO-UHFFFAOYSA-N	415.509	3.880	10	20	HHCD	
COc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C	807098914	GALMZISAOQQDAQ-NRFANRHFSA-N	411.546	3.589	10	20	HHCD	
Cc1[nH]c2ccccc2c1C1=CCN(c2cc(N3CCCC[C@H]3CO)ncn2)CC1	569178350	QWTBTXZTBZEADW-IBGZPJMESA-N	403.530	3.911	10	20	HHCD	
COc1ccc([C@H](O)C2CCN(C(=O)NCCCSc3nccs3)CC2)cc1	813099429	SLWONCPZGZSIQD-SFHVURJKSA-N	421.588	3.789	10	20	HHCD	
CC[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1O	810240863	HNZCUNBGOHJYLA-ZFWWWQNUSA-N	400.363	3.715	10	20	HHCD	
O=C(CCCc1ccccn1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	729522922	ZBKCVVSXAVSLQG-UHFFFAOYSA-N	407.436	3.576	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c(OC)c1OC	727863964	NTONVHSVKKNDME-LFIBNONCSA-N	416.524	3.551	10	20	HHCD	
CN(CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C(=O)OC(C)(C)C	727862741	XVVOSQNYWDPOHA-UHFFFAOYSA-N	401.507	3.741	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1COc2ccccc2C1	726706893	VJVFCRIZSAETSM-KRWDZBQOSA-N	417.456	3.560	10	20	HHCD	
CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCc1ccc(N(C)C)cc1	730450991	CYBYMSDLQZDDRW-MRXNPFEDSA-N	420.600	3.733	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC(c4nnc(S)n4C)CC3)c2C)c1	731634985	QQZHEPOMEFMTAR-UHFFFAOYSA-N	409.559	3.840	10	20	HHCD	
CS[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	735265614	KQIFMIBSVXJFID-CHWSQXEVSA-N	424.478	3.774	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1	731345595	CABFFRSCDKVCSA-UHFFFAOYSA-N	421.538	3.754	10	20	HHCD	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cc(O)cs3)n2)cc1	732260836	ALQQCJRVQUKNRR-UHFFFAOYSA-N	401.513	3.898	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1	731473923	BQFSRRXVGKGEHO-FQEVSTJZSA-N	401.438	3.621	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)CC1	731014926	CSPGEHNXURPCCE-UHFFFAOYSA-N	411.458	3.532	10	20	HHCD	
CC(C)(C)c1noc(CCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	731859083	QDBXSWPOEFVPGL-KRWDZBQOSA-N	401.507	3.603	10	20	HHCD	
Cc1cc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	730252963	ZVSUVKJPGWJOJU-GOSISDBHSA-N	412.534	3.866	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCSc2ccccc21	918184927	UCKUHQRDKFNEPX-GOSISDBHSA-N	401.507	3.699	10	20	HHCD	
O=C(CCOCc1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800208	PJVQUWOSSRPENW-SFHVURJKSA-N	404.457	3.980	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OC)cc1	918187195	YELAOSIICYHXCU-HSZRJFAPSA-N	411.546	3.854	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)ccc1F	747859444	XOLDBBBEYNPEMY-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
COc1ccccc1OCC(=O)Nc1cccc(NC(=O)NCc2ccccc2O)c1	748445876	APDUCWJVOIBLMK-UHFFFAOYSA-N	421.453	3.740	10	20	HHCD	
CNC(=O)CC1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)CC1	746670442	SBODBILSGPPOBY-UHFFFAOYSA-N	407.558	3.614	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1	918071402	ZGGXROQYJWQHCZ-JOCHJYFZSA-N	422.573	3.582	10	20	HHCD	
CC(C)c1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n[nH]1	742748926	ATJWKVOQQDVJHG-IBGZPJMESA-N	415.538	3.595	10	20	HHCD	
O=C(/C=C\c1cccnc1)N1CCCN(C(=O)/C=C\c2cccnc2)c2ccccc21	741938285	WZNBGCTWXLMAJR-MIMPSMLTSA-N	410.477	3.973	10	20	HHCD	
COc1ccc(CN2CCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1	914847321	HEOIZBQHOAYHHJ-UHFFFAOYSA-N	418.541	3.846	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3S(C)(=O)=O)c2C)cc1	742184501	VTTNNJHQEWOENP-RTWAWAEBSA-N	418.559	3.531	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCc4c[nH]nc4C3)c2C)cc1F	745628478	LQFUFVZWKHAROC-MRXNPFEDSA-N	409.461	3.796	10	20	HHCD	
Cc1ccc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c([N+](=O)[O-])c1	747213331	QEBMRKYNPSNKFW-UHFFFAOYSA-N	422.464	3.771	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ccc(N(C)C)c(F)c1	746864396	IBDYSFJFOQZMDH-LLVKDONJSA-N	412.292	3.633	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2occc2Br)cc1	751366397	YTUDODNMNMXCTQ-INIZCTEOSA-N	407.308	3.930	10	20	HHCD	
C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(Cl)c1O	756458457	MTMKJKPBFGFFHP-BONVTDFDSA-N	414.731	3.725	10	20	HHCD	
CCS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1	756947107	QHHPGBKKNUVDHX-UHFFFAOYSA-N	414.571	3.720	10	20	HHCD	
COC1CCC(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1	758493417	NKKGNFMGIQZGPK-UHFFFAOYSA-N	414.468	3.754	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	921280662	IPCKTPIEMDJLMC-GJZGRUSLSA-N	401.438	3.586	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3nc4ccccc4s3)CC2)cc1F	753861297	PODJOMDVQBLSRX-CQSZACIVSA-N	414.506	3.593	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)c1	756595480	VUDQGLFEWIBHSY-ZWKOTPCHSA-N	412.530	3.729	10	20	HHCD	
COC(=O)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1F	751930206	GILYBMPRHKEVKL-SFHVURJKSA-N	400.431	3.526	10	20	HHCD	
COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c([N+](=O)[O-])c1	753125987	JTOUDPALGPAUJH-ZDUSSCGKSA-N	400.435	3.639	10	20	HHCD	
O=c1ccc2cc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)ccc2[nH]1	751137670	UERBNHOKCYMQMN-UHFFFAOYSA-N	412.511	3.757	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1	757657816	OSPJVSAQXPGMPZ-HNNXBMFYSA-N	406.523	3.867	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1O	750036450	PGBLRZZJMDUQFZ-UHFFFAOYSA-N	404.869	3.782	10	20	HHCD	
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NCCc1ccc(O)c(O)c1	755014417	RSWDXNNRFCQQQH-UHFFFAOYSA-N	411.502	3.643	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1	753727705	CUVAGBNTHMXLMQ-HXUWFJFHSA-N	419.529	3.731	10	20	HHCD	
COc1cccc(-c2nnc(NCc3cccc(Br)c3O)o2)c1OC	758468438	RHGXRYXETPOGGJ-UHFFFAOYSA-N	406.236	3.834	10	20	HHCD	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccc(N2CCCC2)cc1	750628406	XCFYRLDPHMUTAG-UHFFFAOYSA-N	410.518	3.709	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc3c(cc2OC)CCC(=O)N3)cc1F	767954860	WWRPNZCSGGEEDT-UHFFFAOYSA-N	414.481	3.887	10	20	HHCD	
O=C1[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C1CCCCC1	765266907	KNKQVDBYBRRRQS-LJQANCHMSA-N	400.523	3.608	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccn(C4CCCC4)n3)cc2F)C[C@@H](C)O1	763281259	LUZDAZXTZZLWCQ-HZPDHXFCSA-N	400.498	3.681	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H](O)c1cc(Cl)cc(Cl)c1	765750849	MJKQHLCHJXXYKI-AWEZNQCLSA-N	405.075	3.811	10	20	HHCD	
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1cccc(Br)c1O	764797757	MJPMHRJXDNUETF-UHFFFAOYSA-N	414.643	3.716	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@H]1CCN(c2ccc(F)cc2)C1	764767817	PAWVCHQJDVNFHU-CYBMUJFWSA-N	422.298	3.620	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2cnc(CC)s2)nc1-c1ccccc1	763491536	MNLAORKLYMIOOM-UHFFFAOYSA-N	423.541	3.807	10	20	HHCD	
CCC(=O)N1CC[C@@H](NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1	762561613	IVGSEFFJPCJFEW-MRXNPFEDSA-N	418.335	3.597	10	20	HHCD	
CCCNc1ccc(CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	765623169	RRKWFLGGIRADPB-UHFFFAOYSA-N	400.498	3.688	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC(N4CCCCC4=O)CC3)cc2)CC1	763609208	DYOOVLBZLFYLMQ-UHFFFAOYSA-N	412.578	3.609	10	20	HHCD	
CCN(CC)c1ccc(CN2C(=O)N[C@H](c3ccc(OC)c(F)c3)C2=O)cc1F	761249613	KWOQFRZKTXUIMY-LJQANCHMSA-N	403.429	3.613	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C(F)(F)F)o1	771404857	XIMXHGICIGGOBH-UHFFFAOYSA-N	400.372	3.637	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C(=O)OC(C)(C)C	772466190	XNDRXEDBFJTDSW-SJLPKXTDSA-N	404.555	3.682	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCSCC1	779012386	MXYUVZBOGNTJSB-QGZVFWFLSA-N	415.582	3.564	10	20	HHCD	
C[C@H](NC[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	775262208	ZLFNZLUWVXBTLB-BFMBIBTESA-N	410.558	3.629	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1cn2c(n1)CCCC2	779790912	CREWGRQGGFRZTA-UHFFFAOYSA-N	400.938	3.859	10	20	HHCD	
C[C@@H](NC(=O)N1CC(OCCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	771421015	JMUSYXDIQPEHCJ-HXUWFJFHSA-N	423.557	3.627	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3Cc4ccccc4C(F)(F)C3)CC2)cc1	771544318	HWYLVGLZACLTKG-UHFFFAOYSA-N	401.457	3.981	10	20	HHCD	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785425330	NTFGIJBJICZGHS-ZDUSSCGKSA-N	408.329	3.895	10	20	HHCD	
COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1	785549211	TUVATTKNTHIOQO-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
CCOC(=O)c1c(C)oc2nc(CN(C)c3ccc(OC)c(Cl)c3)nc(N)c12	781896144	VWKKVISOHUTZHH-UHFFFAOYSA-N	404.854	3.589	10	20	HHCD	
CCOc1cccc(CNC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1	787212592	BHPBAJPBMVVGEM-UHFFFAOYSA-N	423.557	3.787	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N(C)C)cc2C)cc(Br)c1OC	786182993	BGYYQCUQGGSVHD-UHFFFAOYSA-N	407.308	3.771	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(N2CCOCC2)cc1	781373703	ULHIFAFREXPDQQ-QKNQBKEWSA-N	414.594	3.536	10	20	HHCD	
CN(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2Br)cc1	798424201	BYVQWESKDOWOJH-UHFFFAOYSA-N	403.729	3.647	10	20	HHCD	
COc1ncccc1CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799861672	KMMNJABYQPGZIS-HNNXBMFYSA-N	402.926	3.979	10	20	HHCD	
CC(C)(C)OC(=O)N1CC=C(CCNCc2ccc(N3CCOCC3)cc2)CC1	793333642	XFEOJHVZMZGYOJ-UHFFFAOYSA-N	401.551	3.570	10	20	HHCD	
CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)s1	797140901	OJFCBGGXQWZLCX-MGPQQGTHSA-N	402.564	3.999	10	20	HHCD	
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(N3CCN(C)CC3)c(F)c2)o1	1319815378	HIQSNIHWEOZRSO-HSZRJFAPSA-N	421.520	3.569	10	20	HHCD	
COCCn1cc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1=O	1337874871	ZTONPFHISYKKFZ-UHFFFAOYSA-N	413.905	3.737	10	20	HHCD	
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1cc(F)ccc1F	6428078	PUGXJAKINXAFTF-UHFFFAOYSA-N	406.340	3.780	10	20	HHCD	
Cc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2N2CCCCC2)cc1	19420698	CKDIPEJTBZSBEF-UHFFFAOYSA-N	424.526	3.952	10	20	HHCD	
O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc(O)c(O)c1	28848991	JKABSRALFPXJQC-ZDUSSCGKSA-N	417.512	3.572	10	20	HHCD	
COc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C#N	237472315	LMXFDEDCUMRABQ-UHFFFAOYSA-N	405.420	3.712	10	20	HHCD	
Cc1c(CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)n(C)c2ccccc12	471229030	ZHYQRMNOHZYVEA-UHFFFAOYSA-N	403.438	3.843	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCO[C@@H]3c3ccc(OC)nc3)ccc21	560880175	TUNOPTABDBARIY-NZQKXSOJSA-N	423.513	3.568	10	20	HHCD	
COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCC3)cc2)cc1SC	728515777	HMAMXTPLTNJIMX-UHFFFAOYSA-N	401.488	3.856	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC[C@H](C)c3ccc(F)cc3)cc2F)CC1	730121944	FKYXBLGDQSRGRL-KRWDZBQOSA-N	416.516	3.710	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCc4ccc(C)cc43)cc2F)CC1	730132956	YMEXADTYTBDPEW-QFIPXVFZSA-N	410.537	3.763	10	20	HHCD	
O=C(c1ccc(-c2ccccc2)nc1O)N(Cc1ccccc1O)C[C@H]1CCCO1	731856093	JKMWBCKNXPOKNK-LJQANCHMSA-N	404.466	3.981	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1	732672547	JDWZICAFFHCSCU-HXUWFJFHSA-N	418.965	3.900	10	20	HHCD	
Cc1[nH]c(-c2ccncc2)nc(=NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C	733299768	IXLMAZMUJNFAIU-HZPDHXFCSA-N	421.520	3.942	10	20	HHCD	
CN(CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc2ccccc2s1	735518300	SMRYJQHGEFFCCC-QGZVFWFLSA-N	411.527	3.646	10	20	HHCD	
CCOC(=O)N1[C@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)CC[C@@H]1c1ccc(C)o1	736674916	WQBKRFJOGYIECP-QGTPRVQTSA-N	416.474	3.842	10	20	HHCD	
CCc1ccc([C@@H](C)CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	737517195	HTKJDVBRQDBHQE-PGRDOPGGSA-N	407.558	3.761	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=Cc2ccccc2OC1	742799406	KSRMBKDGJQQCEL-KRWDZBQOSA-N	400.425	3.849	10	20	HHCD	
O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799438	XWJUGDSHZNFXRC-IGKXFLDPSA-N	416.424	3.815	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)c(C(F)(F)F)c1	742807758	RSTISNLCNXOCSS-UHFFFAOYSA-N	414.374	3.875	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1	745840134	UMGDNWISBFICRO-HXUWFJFHSA-N	410.562	3.525	10	20	HHCD	
CN(Cc1cccc(O)c1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745902984	AECQGYRVBFQEEJ-INIZCTEOSA-N	405.445	3.804	10	20	HHCD	
Cc1ncsc1CN(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903742	NBUKELQNPWZXJF-AWEZNQCLSA-N	410.490	3.863	10	20	HHCD	
CC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nnc2n1CCCCC2	749579888	QJNYWLGQMPWXTM-HXUWFJFHSA-N	410.566	3.896	10	20	HHCD	
Cc1ccc(CN(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1	751058524	CWOXMHJSCGLSES-UHFFFAOYSA-N	416.524	3.835	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc2ncccc2c1	751467404	NGWVNRNUMWQSMU-UHFFFAOYSA-N	421.316	3.914	10	20	HHCD	
COc1ccc(N(C)CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)c(OC)c1	752124632	LPUXIRFVYUOCRB-CYBMUJFWSA-N	412.408	3.916	10	20	HHCD	
Cc1ccc(Cl)c(OC[C@@H](O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c1	754067736	PTQIUNNMYDEHKA-RBUKOAKNSA-N	405.922	3.775	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H](Cc3cc(Cl)cc(Cl)c3)C(=O)O)cc2)CC1	756379691	ONGJEXIYJQHTMO-HXUWFJFHSA-N	422.356	3.531	10	20	HHCD	
CC(C)NS(=O)(=O)c1cccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)c1	756447666	XLEBHXGKUHSWGA-INIZCTEOSA-N	402.560	3.809	10	20	HHCD	
CC(C)N1C[C@@H](N[C@H](C)c2cc(Br)cc(Br)c2O)CC1=O	756738387	OLXMBBIFMQIAGH-KOLCDFICSA-N	420.145	3.577	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(F)c1	758701692	NQVZUARVBGPKHF-GJZGRUSLSA-N	419.472	3.586	10	20	HHCD	
O=C(CCCNC(=O)NCCCSc1nccs1)Nc1ccc(Cl)cc1	759566262	AOYUMBMIJKKENH-UHFFFAOYSA-N	412.968	3.997	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)c(F)c(F)c1F	761980542	CQYYWXSLTLFJEO-GFCCVEGCSA-N	416.802	3.996	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1O	763093397	YGABJRRYDBOBAJ-LIRRHRJNSA-N	421.900	3.686	10	20	HHCD	
O=C(NCCCn1ccc2ccccc21)NCc1cccc(Br)c1O	764758653	SFHCOPPZINYQEU-UHFFFAOYSA-N	402.292	3.999	10	20	HHCD	
C[C@H](NC[C@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	765699797	FXPZGPVMHVPLHS-RBBKRZOGSA-N	411.565	3.878	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1	765839829	FMSDTKLUSIWUNG-UHFFFAOYSA-N	417.550	3.905	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(CO)n3C3CC3)c2C)cc1F	767215588	YPTWPXWZNOIOPP-UHFFFAOYSA-N	414.506	3.935	10	20	HHCD	
Oc1ccccc1CN(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@H]1CCCO1	768162570	QOSXTYLANYAGLB-HXUWFJFHSA-N	421.497	3.735	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3cccc4ncccc34)cc2F)C[C@@H](C)O1	768521304	ICDVOGHIKNXCGC-IAGOWNOFSA-N	423.488	3.683	10	20	HHCD	
Cc1cc(Br)ccc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1	771200389	XYMFWRQIOCKNNM-UHFFFAOYSA-N	424.276	3.552	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O	771815739	RVBFAPYANSBFCX-QYWGDWMGSA-N	410.514	3.578	10	20	HHCD	
C[C@@H]1C[C@H](CCNCc2ccc(N3CCN(C)CC3)cc2)CN1Cc1ccccc1	771857844	DKEKRRXLXUDRFI-RDGATRHJSA-N	406.618	3.829	10	20	HHCD	
Cc1cc(Br)cc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c1O	775649224	MWGBUCITFGKANA-UHFFFAOYSA-N	421.310	3.997	10	20	HHCD	
COc1ccc(O)c(CNC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1	776002822	VGOAEDJVCHCRLH-KUHUBIRLSA-N	408.901	3.745	10	20	HHCD	
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccc(N2CCCCC2)cc1	777260651	JESGMBKYSPVHIC-BWKNWUBXSA-N	422.617	3.617	10	20	HHCD	
CCC[C@@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1	778222657	AFPNUJAFZNIWRK-WOOPDLCSSA-N	421.541	3.558	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnn([C@H](C)C4CC4)c3)cc2F)C[C@@H](C)O1	779506772	CUGRODOKOMPEMK-BZUAXINKSA-N	415.513	3.929	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	779517362	QCRGIHHMAIZPAK-IOMDMTNGSA-N	404.869	3.684	10	20	HHCD	
Cc1cc(-c2ncccc2NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cs1	782236303	BNYBDLGFNKEYDF-UHFFFAOYSA-N	408.527	3.782	10	20	HHCD	
COC(=O)c1scc(C)c1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784105588	FLNYQKYCNQHBTC-UHFFFAOYSA-N	415.515	3.587	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCC[C@H](C(N)=O)C2)cc1	786941199	UXWFJGZGUSLGBA-OALUTQOASA-N	409.530	3.586	10	20	HHCD	
CN(C)Cc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1	789726567	JYVAFXMZPCCAIZ-UHFFFAOYSA-N	409.483	3.951	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCCC1	789854534	IUCIVRJNOQFNPJ-OAQYLSRUSA-N	417.619	3.721	10	20	HHCD	
Cc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(Br)cc3O)C2=O)cc1	790747502	DOWRDUWVRZVAQL-RDTXWAMCSA-N	403.320	3.915	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC(C2CCCC2)C1	792864576	GMBCSKJZKXAPEN-UHFFFAOYSA-N	411.468	3.874	10	20	HHCD	
CC(=O)N1CCC[C@H](CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	792864862	NUSQHESQRPJHNG-HXUWFJFHSA-N	400.567	3.513	10	20	HHCD	
CCc1[nH]ccc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	796727905	JNJKOFNMRZARNL-IBGZPJMESA-N	400.523	3.639	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Cl	797613458	XRULLRWQSKUSMS-CYBMUJFWSA-N	419.909	3.986	10	20	HHCD	
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	799738552	DTDJYKPJZCZXOP-GOSISDBHSA-N	421.557	3.789	10	20	HHCD	
COC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@H](C)O1	799995218	UPXNQPYJJPKIIW-RYRKJORJSA-N	409.958	3.522	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H]3CCC[C@@H](c4cccnc4)C3)CC2)cc1	800218274	NQPNNLVNQZUNTF-GGAORHGYSA-N	408.590	3.918	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1	800764088	XTYRTEYGKCBZSV-QHCPKHFHSA-N	418.541	3.887	10	20	HHCD	
Cc1ccc([C@@H]2CCCCCN2C(=O)C(=O)NCCCSc2nccs2)o1	806280442	DPSFPRDXKSFOCO-HNNXBMFYSA-N	407.561	3.787	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1	806636758	UNWNAZINBMDBSV-SFHVURJKSA-N	420.513	3.584	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(N(C)C)cc1	806988022	WXJJLHBAGGVSNP-ZDUSSCGKSA-N	412.490	3.831	10	20	HHCD	
CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290455	KELBQNJRDLDDBF-VWNXMTODSA-N	417.553	3.755	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2ccc3ncsc3c2)cc1	807565119	GWJHWUIFKMUJSN-MRXNPFEDSA-N	424.570	3.978	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1	807673606	WPWSYWUQZBUTNT-AWEZNQCLSA-N	407.436	3.607	10	20	HHCD	
COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)OCC(=O)C(C)=O)s1	808482846	CMTYTPFRFANPNP-UHFFFAOYSA-N	424.478	3.806	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1	809723553	KKVJDBJBENXVLQ-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(C)n(-c2ccccn2)c1C	914847434	OQVXKOMAZGWUBR-UHFFFAOYSA-N	406.486	3.599	10	20	HHCD	
COc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	915780696	ZVUGKMSHDMRRAB-OAQYLSRUSA-N	418.453	3.899	10	20	HHCD	
Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	917706764	NZWKLTPVEBFYHK-UHFFFAOYSA-N	407.489	3.686	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3csc4ccccc34)cc2)C1	918012797	LVAZQRBWGZRVBT-QGZVFWFLSA-N	422.554	3.602	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C	1318716720	IUQFYYUISZFPEK-QGZVFWFLSA-N	406.571	3.787	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3nccnc3Sc3ccccc3)CC2)cc1	1320930752	BQUVHYUTUYTUPV-UHFFFAOYSA-N	420.538	3.989	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2	116431103	NYSUNECTWPIQJA-NRFANRHFSA-N	415.946	3.993	10	20	HHCD	
C[C@H](Nc1cc(-c2ccccc2)nc2ncnn12)c1ccc(N2CCOCC2)cc1	301133664	YVYQZHBTASGHSB-KRWDZBQOSA-N	400.486	3.801	10	20	HHCD	
CC(C)c1cccc(-n2cc(O)c(C(=O)N3CCOc4cc(N(C)C)ccc43)n2)c1	469709111	ISIRFHIQUABVTB-UHFFFAOYSA-N	406.486	3.807	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1ccco1)Cc1ccccc1O	726235895	IPGOODZLOAOJQH-UHFFFAOYSA-N	421.497	3.734	10	20	HHCD	
CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728197445	CVBRYCLFVIXTJK-HKUYNNGSSA-N	424.541	3.846	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](c1ccccc1)c1cccnc1	728596673	HINOELNYBJHUCV-QHCPKHFHSA-N	402.498	3.507	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](N3CCCCC3)C2)c(C)n1-c1ccc2c(c1)OCCO2	730807978	DJJZTKGRJCMQGX-NRFANRHFSA-N	423.557	3.608	10	20	HHCD	
CCCC[C@H](NC(=O)c1cc(O)cs1)C(=O)Nc1cccc(N2CCCC2)c1	732283020	CVTBOIWZZBZUFD-SFHVURJKSA-N	401.532	3.981	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCCC[C@@H]2C2OCCO2)cc1)C1CCCCC1	732455110	GYGCXJBODYASKR-OAQYLSRUSA-N	401.551	3.893	10	20	HHCD	
CCS[C@H]1CCCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	732592211	XVVJOJHSRGKRGN-SFHVURJKSA-N	409.571	3.604	10	20	HHCD	
CN(C)C(=O)C1(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCCC1	733345623	OWOPWRDJHIHYHI-UHFFFAOYSA-N	414.594	3.903	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)c1	734065000	QIDVSOPSHPXVIF-QZTJIDSGSA-N	411.546	3.878	10	20	HHCD	
CS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	735378263	BSFAOCIUEIDECB-CIRFHOKZSA-N	409.571	3.913	10	20	HHCD	
C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2c(O)ccc3ccncc23)CC1	738108123	CXUWICZSBPFRFZ-HNNXBMFYSA-N	421.526	3.931	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)c1C	738316693	FLKUTXJMGOISLN-QFIPXVFZSA-N	409.574	3.772	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(OC2CCCC2)cc1	743049878	SXFIHOMBWDRAIK-UHFFFAOYSA-N	402.516	3.662	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccccc3N3CCOCC3)c2C)cc1	743878756	BLHMJBMBAXWEJJ-UHFFFAOYSA-N	419.525	3.869	10	20	HHCD	
CO[C@@H](CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(C)C	744688377	QLXHAUDHCWJZFZ-QTNMRXCUSA-N	412.602	3.517	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O	745878177	HDOXOVPGNQGLMK-JOCHJYFZSA-N	408.546	3.788	10	20	HHCD	
O=C(CCOc1cccc(Cl)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	746010350	GVSQUXFHXKCJPC-UHFFFAOYSA-N	406.885	3.526	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)cc1F	746019653	VZLGVFJXIBZKJT-GOSISDBHSA-N	418.557	3.652	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2ccnn2C2CCCC2)c(C)n1-c1ccccc1	746778294	MZHWSKDYKVAWMP-UHFFFAOYSA-N	419.529	3.703	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCN(C(=O)c4ccc(O)cc4)CC3)c2C)c1	747210660	VNQMERSFGDEYKH-UHFFFAOYSA-N	417.509	3.706	10	20	HHCD	
CC(=O)N(C)C1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	747473815	WXOGRUYZWPHWLU-UHFFFAOYSA-N	401.938	3.759	10	20	HHCD	
CCn1cc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccc21	748343982	PJNNINGMKBDFNV-UHFFFAOYSA-N	405.542	3.729	10	20	HHCD	
COc1cc(C)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC	751445732	GNPXVFPACCAOQP-WJDWOHSUSA-N	409.529	3.858	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1	753195170	NQRNQYVQWKHPED-KRWDZBQOSA-N	402.560	3.697	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1	753561259	ZLMJROQODQTNFW-GFCCVEGCSA-N	410.392	3.712	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](C)c3cccc(-n4cccn4)c3)CC2)cc1F	753918298	KTGINCPFKZJNFF-KRWDZBQOSA-N	423.492	3.613	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	756362736	LJSXZZMDELWIRF-CABCVRRESA-N	421.519	3.743	10	20	HHCD	
COc1cc(F)c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1F	758627335	ASECZERHBMCGSA-UHFFFAOYSA-N	405.445	3.504	10	20	HHCD	
CC(=O)[C@@H]1C[C@H](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1(C)C	758793843	HSEVVIZCUOOCFW-RGCFKVTRSA-N	404.526	3.697	10	20	HHCD	
CCOc1ccccc1N1CCN(C(=O)NCCCSc2nccs2)CC1	759592257	XHENBGYBLCMRRW-UHFFFAOYSA-N	406.577	3.556	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1nnc(-c2ccc(Br)s2)o1	759596307	UJBXISBWUVLUFI-QHHAFSJGSA-N	423.244	3.728	10	20	HHCD	
COc1ccccc1[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccn1	760446569	CGWNKGRYIHYJCM-XMMPIXPASA-N	407.489	3.945	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(CNCc2ccc(N3CCSCC3)cc2)CC1	760659314	XUXXSQCBVFWFTF-UHFFFAOYSA-N	405.608	3.977	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@@H](C)c2ccc(N3CCCCCC3)cc2)CC1	764929032	VGFNMQYDIPZCFQ-IBGZPJMESA-N	407.624	3.922	10	20	HHCD	
CC(C)(C)C1CCC(=CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1	764941286	XNOYLCWVUGPHLB-UHFFFAOYSA-N	418.603	3.700	10	20	HHCD	
CC(C)n1cc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1	765275341	CMSSFBKJGFYJAR-GOSISDBHSA-N	423.540	3.571	10	20	HHCD	
Cc1ccc(C(=O)N2CCN(Cc3cccc(Br)c3O)CC2)cc1F	768252499	QIZBPUYYWAOGNM-UHFFFAOYSA-N	407.283	3.560	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(N2CCOCC2)cc1	769065419	RNVOZBZNCCIJBZ-AZUAARDMSA-N	401.551	3.765	10	20	HHCD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	769924668	ATMJJDKEPDKFTO-UHFFFAOYSA-N	415.465	3.550	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)Cc2noc(-c3ccc(-n4cccc4)cc3)n2)cc1	771106626	GROYUAGVAHUZNQ-UHFFFAOYSA-N	401.426	3.667	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(Cl)cc1	771265504	JNMUNCPWRJKMQE-UHFFFAOYSA-N	424.932	3.855	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CCC(O)(c3cccnc3)CC2)cc1	771348349	DFJHGZMRIUKOMF-UHFFFAOYSA-N	410.562	3.900	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(Cc4cccnc4)CC3)CC2)cc1	771432866	NRVZGJJWZJQYFO-UHFFFAOYSA-N	408.546	3.723	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\CCn4c3nc3cc(Cl)ccc3c4=O)cc2)CC1	771518610	SXBXNMUJVRYYRV-SAPNQHFASA-N	406.917	3.746	10	20	HHCD	
C[C@@H](NC(=O)c1cnc(Oc2ccccc2)cn1)c1ccc(N2CCOCC2)cc1	773287162	XQGIYJKEDDCJLD-QGZVFWFLSA-N	404.470	3.597	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H](C[C@H]2CCOC2)C1	773505038	KNZOTFWFMLZDTM-WOJBJXKFSA-N	403.592	3.588	10	20	HHCD	
CC[C@H](NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1ccccc1O	775497895	XBMFIKACMZRKTH-NRFANRHFSA-N	402.560	3.896	10	20	HHCD	
COc1cccc2cc([C@H](C)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)oc12	776159407	WIBSGAAXVCHCIH-LPHOPBHVSA-N	407.514	3.994	10	20	HHCD	
Cc1nc(C(C)(C)NCc2cc(Br)cc(Br)c2O)no1	776171136	XUXKCVILKKXVBM-UHFFFAOYSA-N	405.090	3.634	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1nc(Cl)ccc1Cl	777826093	GUWWOEOSNFBQMV-UHFFFAOYSA-N	403.649	3.563	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C)CC2)cc1	779048621	QWZCAEBGCZTWOO-LAUBAEHRSA-N	403.567	3.899	10	20	HHCD	
CCOC(=O)[C@H](NCc1cc(Br)ccc1O)c1ccc(OC)c(F)c1	779186434	PCTBJPBAKLQRSF-QGZVFWFLSA-N	412.255	3.696	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCn3ccnc3C2)c(C)n1-c1ccccc1Br	779213992	POGOWGCQZLXAOB-HNNXBMFYSA-N	413.319	3.798	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](CCn3cncn3)c3ccc(C)cc3)CC2)cc1	783239632	ZRFWNRKTEGYJTQ-XMMPIXPASA-N	405.546	3.985	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1Oc1ccccc1	785298835	ZYRKXKJIRMKOSQ-HNNXBMFYSA-N	406.438	3.576	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCC[C@H]1CCCO1	787636826	BHGQFHCYUIQMGM-MLJWKTOOSA-N	411.570	3.842	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1F	788358611	UGUXHRSLMQMNJY-UHFFFAOYSA-N	421.472	3.617	10	20	HHCD	
Cc1ccc(CS(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(F)c1	795075454	ZIIBNNGIXDWLNL-HZPDHXFCSA-N	424.513	3.506	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(CCc2ccccn2)Cc2ccncc2)cc1F	798108348	ROWGTLLRRUUVHQ-UHFFFAOYSA-N	407.493	3.636	10	20	HHCD	
Cc1cccnc1[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C(C)C	805869536	VCAUPFQFLGUAGA-OAQYLSRUSA-N	410.562	3.707	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CC[C@H](CSc2ccccc2)C1)c1ccc(N(C)C)cc1	807673402	SJGVDARUIIVRAG-ROUUACIJSA-N	411.571	3.571	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)CCCOc1ccc(Cl)cc1)c1ccc(N(C)C)cc1	807677788	SPAMVFZHPHPXSW-INIZCTEOSA-N	417.937	3.511	10	20	HHCD	
O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1Cc1cc(-c2ccccc2)ccc1O	809708220	AZIFDXDIPHQFOO-FCHUYYIVSA-N	410.514	3.929	10	20	HHCD	
C[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccc(F)c(Br)c1	812610990	IRTBSURSERQELT-JTQLQIEISA-N	411.223	3.919	10	20	HHCD	
COc1ccc(F)cc1CN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	914847073	NONLCJKXYJJDIP-UHFFFAOYSA-N	422.504	3.595	10	20	HHCD	
Cc1sc(NC(=O)CCS(C)(=O)=O)c(C(=O)OC(C)C)c1-c1ccccc1	915149939	YLBBCJWSVKAXOB-UHFFFAOYSA-N	409.529	3.662	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cnc21	916682125	STAQICBJMKZTNF-UHFFFAOYSA-N	422.533	3.543	10	20	HHCD	
Cc1ccnn1-c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	917711132	LJNYEOUYKOJZCO-HDICACEKSA-N	422.504	3.863	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H](C(C)C)N3CCC(C)CC3)CC2)cc1	918006979	WBEYZZCBGKHOGK-QHCPKHFHSA-N	416.610	3.673	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cc2c(cc1Br)OCCO2	918096771	BNDRQXCBUJHSDR-GFCCVEGCSA-N	421.291	3.829	10	20	HHCD	
Cc1cc(CCNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(C)n1-c1ccccc1	918199791	FFWMHELARJGFSB-QFIPXVFZSA-N	407.518	3.834	10	20	HHCD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919968973	UHTCLJAWABPBGD-MRXNPFEDSA-N	402.922	3.632	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1	920939942	KLFRZHBOSOCFOM-UHFFFAOYSA-N	409.515	3.958	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@H](CN3CCOCC3)C2)c1	1319176557	BQXAELWGDVEFQU-GOSISDBHSA-N	401.938	3.542	10	20	HHCD	
C[C@H](NCc1cccc(OCC(F)(F)F)n1)c1ccc(N2CCOCC2)c(F)c1	1320937578	KODVIJUOIYBXDW-AWEZNQCLSA-N	413.415	3.849	10	20	HHCD	
C[C@@H](CCNC(=O)NCc1ccc(N2CC=CC2)cc1)N(C)C(=O)OC(C)(C)C	1329251199	BKSMLULYGJEMHN-KRWDZBQOSA-N	402.539	3.508	10	20	HHCD	
Cc1ccsc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2	1794975006	DWFBKPRGTXDMPL-BTTYYORXSA-N	420.918	3.687	10	20	HHCD	
C[C@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	11117031	SOLVHQKIOMWODV-ZDUSSCGKSA-N	417.392	3.785	10	20	HHCD	
CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OC(F)F	13362952	KMCGARWGWKWNDW-LCYFTJDESA-N	417.455	3.753	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3cc(F)ccc3F)sc2n1	14152219	MBFTWJXFDOMFNE-JTQLQIEISA-N	405.426	3.958	10	20	HHCD	
C[C@H]1CCC[C@H](C)C12NC(=O)N(CN(C)Cc1ccc(N3CCCCC3)cc1)C2=O	24575510	LPQUXMUZTGYRDP-OALUTQOASA-N	412.578	3.813	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1	57512424	FBIMCGFGOJAWKB-HSRJRILOSA-N	408.498	3.702	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C(F)(F)F)nc2)cc1	97043453	HFGCSVOLJZMMBK-SFHVURJKSA-N	407.436	3.988	10	20	HHCD	
Cc1nc(CN2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)cs1	111214751	HTBUEKBBUNXJAP-UHFFFAOYSA-N	412.603	3.970	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1	211654634	BWQDPYGZKCTTGK-LDADJPATSA-N	412.536	3.999	10	20	HHCD	
Oc1ccc(Br)cc1CNC[C@@H]1CN(Cc2ccccc2)CCCO1	390867079	NQLHWFXEVCFEOB-LJQANCHMSA-N	405.336	3.535	10	20	HHCD	
Cc1c(CNC(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)n(C)c2ccccc12	472229250	KEPFERDTFMBWOT-UHFFFAOYSA-N	418.541	3.933	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](CNC(=O)C(C)C)C3)ccc21	486555485	NKEPZGOPGMWXFL-LJQANCHMSA-N	413.562	3.529	10	20	HHCD	
COc1ccc(N(Cc2ccccc2O)C(=S)Nc2ccc(C(N)=O)cc2)cc1	726445514	XKQJVCSPXZOTCS-UHFFFAOYSA-N	407.495	3.903	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(c2ccc(Cl)cc2)CC1	727476542	XIMWKKAHFKZITD-UHFFFAOYSA-N	417.912	3.847	10	20	HHCD	
CCOc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3cc(OC)ccc3O)n2)cc1	728977583	ARLKMADBHYMJGP-AWEZNQCLSA-N	411.458	3.660	10	20	HHCD	
COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccc(OC)c2O)cc1	729858746	CKGIQCZWDGUIQF-UHFFFAOYSA-N	406.438	3.592	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cccc(OC2CCCC2)c1	731262587	QVVHQCKJMUTPHX-UHFFFAOYSA-N	410.514	3.889	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1F	731363476	GRLBESXSYYFHCE-HXUWFJFHSA-N	402.514	3.901	10	20	HHCD	
Cc1ccccc1COc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1	732705158	SAIHUZQZCVBVMZ-UHFFFAOYSA-N	404.466	3.877	10	20	HHCD	
O=C1/C(=C/c2ccc(Br)cn2)SC(=S)N1CCc1cccnc1	733812692	CNIJXMURRRCLRP-ZSOIEALJSA-N	406.330	3.683	10	20	HHCD	
Cc1cc(C)c(N2C[C@@H](C(=O)NCCCSc3nccs3)CC2=O)c(C)c1	733974922	PZRNLBRSJANLKA-INIZCTEOSA-N	403.573	3.720	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1I	734406266	UKXRYNQEHMQTEI-UHFFFAOYSA-N	408.283	3.904	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1F	734534829	SKUVLSLMPHHONE-UHFFFAOYSA-N	403.845	3.595	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)NCCCSc2nccs2)cc1Cl	735315510	SFTXRFZJETZKQF-UHFFFAOYSA-N	413.373	3.919	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1F	740604199	FGIPTKKSGIXHFL-UHFFFAOYSA-N	405.495	3.821	10	20	HHCD	
CCN(c1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1)C(C)C	741096977	HSGAYSKQRSAIJD-UHFFFAOYSA-N	406.530	3.552	10	20	HHCD	
Cc1csc(-c2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cc2)n1	741097482	SKXXGRXGLVUXIC-UHFFFAOYSA-N	418.522	3.750	10	20	HHCD	
Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC2=O)cc1F	742476246	PMWVGFNLKMFOJE-IBGZPJMESA-N	409.505	3.794	10	20	HHCD	
CN(C)C(=O)[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743484938	JYGBFQQIYJEFCS-FXAWDEMLSA-N	403.473	3.676	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2ccn(C)c2c1	743889108	KLRZWZLYHQVQBQ-UHFFFAOYSA-N	404.514	3.766	10	20	HHCD	
Cc1cnc([C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)s1	745866064	GMDDBZAVRZTSEO-PKOBYXMFSA-N	401.532	3.999	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O	746446956	OTWUTQHYEDTQBK-UHFFFAOYSA-N	407.436	3.679	10	20	HHCD	
CC(C)c1nnc(CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1	746861491	IPCMHJXGXIMYRP-AWEZNQCLSA-N	408.449	3.512	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1	751325653	LWKRPYDKOFPHHD-VIFPVBQESA-N	406.287	3.756	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccn3Cc3ccncc3)cc2F)C[C@@H](C)O1	751348281	ZSNCFBHDHQUERZ-QZTJIDSGSA-N	422.504	3.614	10	20	HHCD	
COCCN(C[C@H](O)c1ccccc1Br)c1ccc(OC)c(OC)c1	752018861	HWXSCWMAXWYQME-KRWDZBQOSA-N	410.308	3.653	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(C)cc4)c3C)CC2)cc1F	753732380	TYAFCLIJVFQCHY-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)c1	754469710	VNQVABZRMDMYAP-INIZCTEOSA-N	407.470	3.802	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1F	755642720	GZZOCCYJGKKOQA-UHFFFAOYSA-N	403.473	3.922	10	20	HHCD	
CCCC[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCC1	757182684	QOKGJHYCROACJI-TZIWHRDSSA-N	400.567	3.546	10	20	HHCD	
CCc1ccc([C@@H](NC(=O)COC(=O)c2cccc(O)c2O)c2cccs2)cc1	758578106	ANCKPFNQRCXHSS-HXUWFJFHSA-N	411.479	3.784	10	20	HHCD	
C[C@@H](NC[C@H](CO)Cc1ccc(Br)cc1)c1cc(F)cc(F)c1O	760034340	MTVNODOXRPGOLW-DGCLKSJQSA-N	400.263	3.935	10	20	HHCD	
O=C(NCc1nnc(-c2ccccc2)s1)N(Cc1ccccc1O)C[C@H]1CCCO1	760193730	WCERKSKKEYYOIU-GOSISDBHSA-N	424.526	3.802	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	765239217	FHCCJSMLRLAWOH-AVCGJXAMSA-N	409.530	3.804	10	20	HHCD	
CC(C)NC(=O)Nc1cccc(C(=O)NCc2cccc(Br)c2O)c1	765766919	DUKQDGANPZMQJF-UHFFFAOYSA-N	406.280	3.615	10	20	HHCD	
O=C(c1ccccc1)N1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	768527735	WAYAGDCTBULIKR-UHFFFAOYSA-N	422.529	3.933	10	20	HHCD	
CCc1ccc(CS(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	768818499	YCBFRJPWFZGKPH-IAGOWNOFSA-N	420.550	3.621	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	769395454	HTXUILOJDYMHLC-QZTJIDSGSA-N	409.958	3.609	10	20	HHCD	
COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(Br)ccc1O	769528712	YBIWWLRQZMCLQO-MRXNPFEDSA-N	418.209	3.918	10	20	HHCD	
Cc1ccccc1CN(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769737369	AADRNYSFBLFFKE-UHFFFAOYSA-N	424.522	3.915	10	20	HHCD	
CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C(C1CC1)C1CC1	769738807	USTVXADQMZZGIE-UHFFFAOYSA-N	406.529	3.515	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)Nc1nnc(CC(C)C)s1	770419238	PAWGLUCQMGYJOX-UHFFFAOYSA-N	417.579	3.570	10	20	HHCD	
CCC(CC)n1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	771067640	VBQYUJWXQUMGDM-KRWDZBQOSA-N	404.942	3.998	10	20	HHCD	
C[C@H]1CCCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)C1	773855353	GZFAJLVZVWFYGO-OALUTQOASA-N	422.573	3.800	10	20	HHCD	
COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1CCCC1	776102929	PORORYQHHCVZJQ-AVRDEDQJSA-N	410.562	3.959	10	20	HHCD	
O=S(=O)(c1ccc(CCNCc2cccc(Cl)c2O)s1)N1CCCCC1	776220970	SGBWIQHFFXOJFG-UHFFFAOYSA-N	414.980	3.614	10	20	HHCD	
CCC1(CC)CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1	777238968	MHIGWPQXXCDHBX-IBGZPJMESA-N	400.567	3.500	10	20	HHCD	
O=C1N[C@@H](C2CCCCC2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	777667012	MNMVYZJMZHYOPK-AEFFLSMTSA-N	407.461	3.758	10	20	HHCD	
O=C(N(Cc1ccccc1O)C[C@H]1CCCO1)C(F)(F)c1ccc([N+](=O)[O-])cc1	778392065	IXBLCBZAFYKRHX-QGZVFWFLSA-N	406.385	3.600	10	20	HHCD	
CC(C)N1C(=O)C[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1	778929513	MKIUMYJKLOECRT-XOBRGWDASA-N	420.868	3.505	10	20	HHCD	
Oc1ccc(F)cc1CNCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1	779060786	FNWDYXYMWZRCQD-UHFFFAOYSA-N	410.468	3.682	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CC[S@@](C)=O)c(C)n1-c1ccccc1Br	779215222	ICVWLLHDBVBQEC-OIRASMEMSA-N	411.365	3.744	10	20	HHCD	
CCOc1ccccc1CN(CCCn1ccnc1)C(=O)/C=C/c1ccc(O)c(O)c1	779512145	MSLCGTSYGXBDBN-PKNBQFBNSA-N	421.497	3.825	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@@H]([C@H](C)O)C2)sc(C)c1-c1ccccc1	780357989	HGPRDLBAIUKKTQ-WMLDXEAASA-N	416.543	3.541	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	782616858	NJBYZNZTUFIVDR-JQHSSLGASA-N	404.555	3.949	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	782647683	FBOCDZUZWRCHOU-ROUUACIJSA-N	404.555	3.696	10	20	HHCD	
COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2cc(C)oc2C)cs1	785548495	MGRAOTPBFNMWCC-UHFFFAOYSA-N	412.514	3.977	10	20	HHCD	
Cc1cc(C(=O)CONC(=N)[C@@H]2CCCO2)c(C)n1-c1ccc(OC(F)F)cc1	789612245	SSOLNDDFGIYVPA-SFHVURJKSA-N	407.417	3.556	10	20	HHCD	
CCc1c(NC(=O)NCCc2ccc(O)c(O)c2)cnn1-c1ccccc1Cl	792485108	SVUQKBTVXPHOPI-UHFFFAOYSA-N	400.866	3.864	10	20	HHCD	
CC1(C)[C@@H](Oc2ccccc2)C[C@H]1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	793522978	OOMWZFKQGGWZRE-PTUXOGIPSA-N	407.558	3.724	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c1C	799021729	MVFJEWBXVHMGCT-UHFFFAOYSA-N	421.463	3.933	10	20	HHCD	
CC[C@](O)(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	800460788	VPROFZLEGLOLAE-KSFYIVLOSA-N	402.922	3.652	10	20	HHCD	
O=C1CCc2cc(Cl)c(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)cc21	800903770	FUZADMIMELQHEL-UHFFFAOYSA-N	418.946	3.938	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCC1CCN(CC(F)(F)F)CC1	802301884	KJVGDEJXXOAVEE-UHFFFAOYSA-N	401.473	3.978	10	20	HHCD	
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1c(O)ccc(C(=O)c2ccccc2)c1O	802749383	BLGMBWKZFQVQQC-MOPGFXCFSA-N	415.493	3.883	10	20	HHCD	
CCN(CCc1cccs1)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805023589	WSVRBIVLYVGTJV-UHFFFAOYSA-N	413.587	3.692	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CSc4ccccc43)cc2)CC1	805026245	HKBHIGFNBSDJMU-HXUWFJFHSA-N	409.555	3.502	10	20	HHCD	
CCOCCCN1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)[C@@H](C)C1	805124226	HWTIYLGOSQXLQM-SUMWQHHRSA-N	418.365	3.635	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c(C)c1OC	806548599	GFXRKGKHZZJPIX-ATVHPVEESA-N	400.525	3.851	10	20	HHCD	
O=C([C@@H]1CCN(Cc2c(O)ccc3cc(Br)ccc23)C1)N1CCCC1	808207090	MZCUVRRXKDCRAC-OAHLLOKOSA-N	403.320	3.752	10	20	HHCD	
COC[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	808373263	RFLMJKWRXFJNLW-NRFANRHFSA-N	417.937	3.706	10	20	HHCD	
CSc1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)n1	809223358	MTDIGQCTGMRQCD-UHFFFAOYSA-N	419.418	3.739	10	20	HHCD	
C[C@@H]1C[C@H](N2CCCC2)CN1Cc1cc(Br)cc(Br)c1O	809703576	NHAGGJSSCBORSK-RISCZKNCSA-N	418.173	3.976	10	20	HHCD	
CCCN(CC)C[C@@H](C)NC(=O)N(CC)Cc1cc(Br)ccc1O	812677133	RDIHOHUVHHQDJE-CQSZACIVSA-N	400.361	3.807	10	20	HHCD	
O=C([C@@H]1CCCN(CCc2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	816921777	GTXZFJGYFQTXDX-DNQXCXABSA-N	422.569	3.855	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NCC(F)(F)F)c(C)n1-c1ccc(Cl)cc1	919520698	FIGKAZYIDIBBDE-GFCCVEGCSA-N	402.800	3.971	10	20	HHCD	
C=CC(=O)NCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	919978745	JQOBFERUCVKDJI-UHFFFAOYSA-N	417.509	3.990	10	20	HHCD	
COc1cc(CCNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c([N+](=O)[O-])cc1OC	16144089	LEABRVFUADLPHR-UHFFFAOYSA-N	423.469	3.992	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)OCCCO3)cc1	69577284	HOPXKZRWYXLMSZ-OAQYLSRUSA-N	410.514	3.735	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1	116204227	OYGWERZGBOSGEG-OAQYLSRUSA-N	405.464	3.823	10	20	HHCD	
O=C(/C=C/c1nc2ccccc2s1)NCc1ccc(N2CCC(CO)CC2)cc1	303726215	SYMPFZUKMYNAJJ-MDZDMXLPSA-N	407.539	3.835	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)n(C)c2ccccc12	472810598	WFCYXWWWSHUFLI-UHFFFAOYSA-N	421.831	3.996	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2cccc(Cl)c2)CCOCC1	475927941	BQMOYRSVBGKZNU-UHFFFAOYSA-N	400.906	3.880	10	20	HHCD	
CCCc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1Cc1ccccc1	475953721	JOXHSZPFUNZXDR-UHFFFAOYSA-N	404.514	3.989	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C3CCCCCC3)cc2F)C[C@@H](C)O1	726211821	HGIUWCMUKOJTNK-CALCHBBNSA-N	420.525	3.569	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c(F)c1	727246625	NOIIFTWLDJXGMS-UHFFFAOYSA-N	410.423	3.790	10	20	HHCD	
COc1ccc2cc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc2n1	727595781	QKWLFOJQEBJRGB-INIZCTEOSA-N	406.486	3.963	10	20	HHCD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	727739724	UOGSGMKOJMLCAF-QHCPKHFHSA-N	419.566	3.864	10	20	HHCD	
COc1cc(Br)cc(CNC[C@](O)(c2ccccc2)C(F)(F)F)c1O	727836751	FXYXRRORZXETEU-INIZCTEOSA-N	420.225	3.703	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	728024668	VVRXFAYGOOFUIT-KDRVJRGFSA-N	401.576	3.551	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3cn(-c4ccccc4)nn3)SC2=S)cc1	728695673	BWDUMEXICWWUBY-LDADJPATSA-N	407.524	3.739	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C\c3nccn3CC(F)(F)F)SC2=S)c1	728696510	TYMNVWNJVAZJPT-YRNVUSSQSA-N	413.402	3.549	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCC(C)(C)c3ccccc3)cc2F)CC1	730116197	PXBNWZRSDIOXKM-UHFFFAOYSA-N	412.553	3.745	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc4ccccc4nc3C)cc2F)CC1	730192504	CIAXNVADTVGFLT-UHFFFAOYSA-N	406.505	3.754	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1-c1ccccn1	732129205	AJYPGZYXNZTSMG-SFHVURJKSA-N	408.889	3.678	10	20	HHCD	
O=C1NCCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc21	734975604	QXRYZLXBNJNDLQ-UHFFFAOYSA-N	419.915	3.550	10	20	HHCD	
COCC[S@](=O)Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1	735180408	PGSOSXVCQMDJKS-LJAQVGFWSA-N	415.559	3.504	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1ccc(F)cc1C(F)(F)F	735315117	BSBUVCHFVKNWDH-UHFFFAOYSA-N	400.444	3.762	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NC3CCN(c4ccc(OC(F)F)cc4)CC3)nn2)n1	737406060	LLFOOJGACXNGNN-UHFFFAOYSA-N	414.460	3.961	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1	741860918	RECKFWFPCCGRGG-UHFFFAOYSA-N	417.485	3.567	10	20	HHCD	
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	743064737	OQGNACZZQUKLDH-KRWDZBQOSA-N	420.517	3.919	10	20	HHCD	
COCCOC[C@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)C1	744416945	KVERUEAFTYEEFK-IBGZPJMESA-N	416.587	3.984	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cn2ccccc2n1	745299407	ILCQXIZLVMZQAG-UHFFFAOYSA-N	403.280	3.534	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C12CCC2	745850201	HJADXWYCVNMOQB-KFKAGJAMSA-N	423.504	3.904	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1	746820753	BBMFFRZHICYTJG-UHFFFAOYSA-N	423.391	3.975	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CSCC(=O)c3ccc(Cl)cc3)ccc21	747371311	PLHHLNOYOCUWBE-UHFFFAOYSA-N	402.947	3.955	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)CC2)cc1	748706833	MSDWQFMZWCGKLK-UHFFFAOYSA-N	403.482	3.653	10	20	HHCD	
CC(C)C[C@@H]1CCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	748807383	OIFXDJJJEOZNSY-BJLQDIEVSA-N	405.558	3.566	10	20	HHCD	
CCCn1ccc2ccc(NC(=O)C(=O)NCCCSc3nccs3)cc21	749729949	GOKZKVODGBTHAB-UHFFFAOYSA-N	402.545	3.745	10	20	HHCD	
C[C@]1(NCc2cc(Br)cc(Br)c2O)CCO[C@H]1C1CC1	753596081	SZZYDCNJWUVQOJ-GJZGRUSLSA-N	405.130	3.964	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)CN(C)C	754355610	ARZNYDQZSWLBNZ-JKSUJKDBSA-N	412.525	3.532	10	20	HHCD	
CCOCCOc1cc(C)ccc1CNC(=O)NCc1ccc2c(c1)CCCN2C	755236265	BYDIOVQFMVBXNU-UHFFFAOYSA-N	411.546	3.792	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(Br)c(F)cc1O	756449974	PUCGUOGHUHIURA-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
Cc1cc(CC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c(C)n1-c1ccc(Cl)cc1	757001406	WAUCWGXMULSMJX-RTWAWAEBSA-N	402.922	3.696	10	20	HHCD	
O=C(N[C@H]1COc2c(Cl)cccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	757813537	GTZUWKSVOOHQRN-YJBOKZPZSA-N	402.878	3.870	10	20	HHCD	
COc1cc(Cl)cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c1O	758816009	PAOSTUFWWQBUJT-MDWZMJQESA-N	415.920	3.900	10	20	HHCD	
CC(C)(CNC(=O)NCCCSc1nccs1)c1ccc2c(c1)OCCO2	759577111	YYKQXGSRAFPPGM-UHFFFAOYSA-N	407.561	3.674	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](c2ccsc2)O1	759728757	ZSAKMZCGUHUWKQ-OXJNMPFZSA-N	417.600	3.973	10	20	HHCD	
O=C1/C(=C\c2ccc(OC[C@H]3CCCO3)cc2)SC(=S)N1Cc1ccon1	764410868	BVXJYOKTXDQXQQ-FCNRDGCESA-N	402.497	3.634	10	20	HHCD	
C[C@@H](NCCc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1Cl	764581823	AQWVPZZEGCCJSN-MRXNPFEDSA-N	402.922	3.841	10	20	HHCD	
COc1ccc(N2CCN(CCCNC3CCC4(CCOCC4)CC3)CC2)cc1	764685479	WKMREWXSGXKRIJ-UHFFFAOYSA-N	401.595	3.536	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)CN1Cc1ccccc1	765535116	NPUMLCOEKLFEHE-RHSMWYFYSA-N	418.335	3.617	10	20	HHCD	
COc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(N3CCOCC3)cc1Cl)C2	765707986	SFMKRNTULONVGQ-RDJZCZTQSA-N	402.922	3.840	10	20	HHCD	
Cc1c(C(=O)NCc2cccc(Br)c2O)cnn1-c1ccccc1F	765770406	QJHXDSCDQCUCTC-UHFFFAOYSA-N	404.239	3.718	10	20	HHCD	
COc1ccc2c(c1)CCCCN2Cc1cc(=O)n2cc(Br)ccc2n1	766269353	GRDPIEUJEVOOOI-UHFFFAOYSA-N	414.303	3.809	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(Cl)ccc1Br	766457993	TYACKJGGKDXEEY-UHFFFAOYSA-N	424.726	3.732	10	20	HHCD	
CCS(=O)(=O)C1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	767780059	HYTUHDPXVUGJOI-UHFFFAOYSA-N	421.607	3.564	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O	769925179	KRCLMWPFJGLTTM-UHFFFAOYSA-N	413.474	3.844	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNc1ccccc1C(N)=O	774090808	UOPXULCSRGSGCB-QGZVFWFLSA-N	403.482	3.693	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCc1cccc(Cl)c1	775132197	VDWCAYUVQPDXST-UHFFFAOYSA-N	413.949	3.648	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)cc1	775193705	AGIXPBZVLCAVQX-HSZRJFAPSA-N	423.557	3.684	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1)c1ccc(N(C)C)cc1	775666383	JYXOYYNJFPWOFE-MRXNPFEDSA-N	410.518	3.544	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC(C2OCCO2)CC1	775675117	UBLMVORDLTYGGI-UHFFFAOYSA-N	421.129	3.502	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H](OC)c3ccccc3F)CC2)cc1	775770853	SMAJRMOOXZRWFR-ZHRRBRCNSA-N	415.509	3.879	10	20	HHCD	
Cc1ccc(-n2nc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cc2C)cc1	776032064	PEMXSEVCPKIKRF-UHFFFAOYSA-N	405.502	3.647	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c(F)cccc1Cl	777828686	OLZSGKZRWYOFBX-UHFFFAOYSA-N	400.233	3.582	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccncn2)c(C)n1-c1ccc(OC(F)F)cc1	778449531	QOVRAGZUMYZMDG-UHFFFAOYSA-N	401.369	3.525	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](O)Cc1cccc(C(F)(F)F)c1	778607573	NLHBHJIIAUMATE-FQEVSTJZSA-N	406.448	3.916	10	20	HHCD	
COCCO[C@@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)C1	781962213	MUGBJLWRQXCADM-LJQANCHMSA-N	402.560	3.736	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H](c3ccccc3)C3CCOCC3)cc2)C1	782759324	PWDDKBVNXYICPU-LADGPHEKSA-N	407.558	3.646	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1	784025880	MZMKDRHOLAIJHP-UHFFFAOYSA-N	412.877	3.609	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1	784026079	ATAYDCXBWXVSKS-UHFFFAOYSA-N	409.530	3.755	10	20	HHCD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	785295588	WXCLAHIVRJLXQO-INIZCTEOSA-N	404.466	3.759	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2	785981924	XWEKHWFTYBZEHR-HSZRJFAPSA-N	411.502	3.637	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)C2CC2)cc1	786946879	KKASVOJTBLFYMV-UHFFFAOYSA-N	420.340	3.867	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	794238893	OGFBRZUZEWCDAA-HZPDHXFCSA-N	416.541	3.692	10	20	HHCD	
CCOc1ccc(CNc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c(O)c1	796396683	URCBUKFAKOYDEB-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
COc1ccc(C[C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1OC	796701257	HQAUIYFJTIKTHB-GOSISDBHSA-N	412.574	3.942	10	20	HHCD	
CSCC[C@@H]1NC(=S)N(Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1=O	800722493	XVJBMWIOTVTZLX-CJNGLKHVSA-N	412.024	3.915	10	20	HHCD	
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	803576980	RWRJNPHZLPGBMT-IBGZPJMESA-N	405.542	3.552	10	20	HHCD	
CN1CCOc2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc21	806950166	PKSCKBCXCORHEG-INIZCTEOSA-N	417.456	3.515	10	20	HHCD	
CCS[C@@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	809236889	BWIOEUGNSNJBDE-IEBWSBKVSA-N	416.543	3.695	10	20	HHCD	
COC(=O)c1ccc(Cl)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	810369878	YLJNYWVOKHZLEI-INIZCTEOSA-N	403.862	3.654	10	20	HHCD	
C[C@H](NC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1)c1ccc(N(C)C)cc1	812199893	IVDSZTKKVOFTKT-ZYSHUDEJSA-N	413.522	3.985	10	20	HHCD	
CCO[C@H](C)c1nc(CN2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)cs1	815054040	FIVAXGCZZSZXLY-GOSISDBHSA-N	402.608	3.933	10	20	HHCD	
CCOC(=O)c1ccc(N2CC(N[C@H](C)c3cccc(C(F)(F)F)c3O)C2)nc1	815615193	KZGZZJRJQBKZFL-GFCCVEGCSA-N	409.408	3.522	10	20	HHCD	
CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C[C@H]2C[C@H]21	816681566	AGOVUJGGEYDWMZ-FZQKWOKYSA-N	401.290	3.713	10	20	HHCD	
O=C(NC1CCOCC1)c1ccc(NCc2c(O)cccc2Br)cc1	864039027	JPLTYBRZVHFREZ-UHFFFAOYSA-N	405.292	3.676	10	20	HHCD	
COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1	917902858	VXVBYDDWWKNDMI-UHFFFAOYSA-N	411.530	3.701	10	20	HHCD	
O=C(Nc1ccccc1N1CCCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	918294702	SMAKKRRXEVHQGW-UHFFFAOYSA-N	419.481	3.753	10	20	HHCD	
CC(C)Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	920865633	IAPRGRCWAVAGFV-GOSISDBHSA-N	402.560	3.761	10	20	HHCD	
NC(=O)CCNC(=O)c1cccc(N[C@H](CCc2ccccc2)c2ccccc2O)c1	1117749840	CJBGRRVGKYISIF-JOCHJYFZSA-N	417.509	3.783	10	20	HHCD	
Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1204326469	IHPGRHOTZTVQLC-UHFFFAOYSA-N	406.574	3.660	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1	1318311375	SXWVFMJUCMEBNJ-OAQYLSRUSA-N	408.546	3.589	10	20	HHCD	
CCOc1ccc(N2CCN(CC(=O)N(CC)c3nc4ccccc4s3)CC2)cc1	1324469212	PROIZXFULLQNBF-UHFFFAOYSA-N	424.570	3.870	10	20	HHCD	
CCCc1sc(C(=O)N[C@@H](Cc2ccc(O)c(O)c2)C(=O)OCC)cc1CC	1325381800	CKKPDYSSBMPXEC-HNNXBMFYSA-N	405.516	3.578	10	20	HHCD	
COc1cccc(N2CCC(NC(=O)NCc3c(O)ccc4c3CCCC4)CC2)c1	1339612557	GTLUFNNNXQUXMB-UHFFFAOYSA-N	409.530	3.748	10	20	HHCD	
CN1CCN(c2ccc(CNCc3cc(Br)ccc3F)cc2F)CC1	1343901232	CMFFLTYEGVVQSE-UHFFFAOYSA-N	410.306	3.769	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Br)ccc1F	22507406	BFYDJNMSEUJUSR-UHFFFAOYSA-N	407.283	3.697	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(NC(=O)c2cccnc2)c1	46686369	YZHBASVHYPFGKL-UHFFFAOYSA-N	400.482	3.864	10	20	HHCD	
CCc1nc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1	50332315	RZRNDFZZRBDFKU-UHFFFAOYSA-N	413.465	3.799	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1	117060914	MHBPAMSNMQQWFP-UHFFFAOYSA-N	422.451	3.930	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)cc1	195646080	AWKHEYDNDHDNDV-UHFFFAOYSA-N	406.530	3.829	10	20	HHCD	
Cn1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2ccncc2)n1	237785536	CHKXSTNSMNDLDK-GOSISDBHSA-N	413.472	3.842	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H](C)C(=O)N3CCCC[C@H]3C)cc2)CC1	303287373	AAXUZYJTHVCWBO-MOPGFXCFSA-N	400.567	3.512	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(c3ccc(OC)c(F)c3)C2=O)oc1C	726630035	RWCWVERBVYPSES-NVNXTCNLSA-N	407.444	3.928	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2Cl)cc1	727357646	SRDXSKVKFCCTCQ-VAWYXSNFSA-N	400.909	3.514	10	20	HHCD	
C[C@@H](NC(=O)c1csc(-c2ccc(O)cc2)n1)c1ccc(N2CCOCC2)cc1	728603199	AWGZWIDVCZPUPH-OAHLLOKOSA-N	409.511	3.843	10	20	HHCD	
O=C(Nc1cnc(C2CC2)nc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	728689358	BSRIVDCIDXVIGV-UHFFFAOYSA-N	403.433	3.746	10	20	HHCD	
CNC(=O)COc1ccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	729579164	DQHFBBGILCORFJ-UHFFFAOYSA-N	424.545	3.902	10	20	HHCD	
CCn1c(S)nnc1CCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	731442322	GCHXWQXVRQTNBD-UHFFFAOYSA-N	403.939	3.620	10	20	HHCD	
CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CCN(c2ccccc2)C1=O	732120577	SWMLLKHDIDCHRX-OAQYLSRUSA-N	402.498	3.757	10	20	HHCD	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN(Cc1ccco1)Cc1ccccc1O	732202486	SPHBNPZTVXQYSS-GCJKJVERSA-N	400.519	3.699	10	20	HHCD	
O=C(NCCCSc1nccs1)C1=Cc2cc(Br)ccc2OC1	733974564	VLSVQZZIVLBOPT-UHFFFAOYSA-N	411.346	3.980	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1	734468058	HJTAMMRJNDFPDO-QHCPKHFHSA-N	401.510	3.849	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)CC2)cc1	735686870	HGRVOXKGJNJQNA-GHTZIAJQSA-N	403.567	3.758	10	20	HHCD	
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	737054406	NVOHWLYJSFIQDW-RBUKOAKNSA-N	400.567	3.608	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](O)c1cccc(C(F)(F)F)c1	740919739	KVLKIJKYEQTTPX-IBGZPJMESA-N	405.420	3.614	10	20	HHCD	
CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1	740920082	RCQVMOHMCQNDBR-FQEVSTJZSA-N	414.550	3.652	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cnn(-c2ccccc2Cl)c1	741398744	PDVPVVAWMJCVMM-UHFFFAOYSA-N	411.893	3.684	10	20	HHCD	
CC(C)=CC(=O)NCc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	742553926	MGNXWPWFTXKOGK-UHFFFAOYSA-N	423.582	3.752	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2ccnc2)cc1	742801005	WJQFLDOWIUZRKB-QGZVFWFLSA-N	412.440	3.873	10	20	HHCD	
COc1ccccc1N1CC[C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1	743579568	VHMICLAJUNEDOB-QGZVFWFLSA-N	409.530	3.605	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCCC(=O)OC(C)(C)C	745934338	PNQQDZFHIWVVQW-UHFFFAOYSA-N	415.328	3.808	10	20	HHCD	
COc1ccc(N(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC(C)C)cc1	746170109	NCIYCGSPBFLANT-JOCHJYFZSA-N	400.494	3.897	10	20	HHCD	
Cc1cc(CCNC(=O)N[C@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccccc1	747310320	KDSJIWMXPMWFDN-SFHVURJKSA-N	408.468	3.572	10	20	HHCD	
COC(=O)[C@@H](O)C1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	747510622	OLSJVAVQQAZHRQ-NRFANRHFSA-N	424.501	3.554	10	20	HHCD	
O=C(Nc1ccn(CC(F)F)n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	748954288	LYLUHYQETSVEHS-GFCCVEGCSA-N	415.391	3.540	10	20	HHCD	
CC(=O)N[C@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)c1cccs1	751303147	UMJRNYJFSBBDSY-MRXNPFEDSA-N	405.483	3.664	10	20	HHCD	
CC[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1cccc(F)c1	753345829	FKSJGWNZUUMDSJ-OAQYLSRUSA-N	415.509	3.661	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1	756681189	JMAVXNXDXIRNHJ-XZOQPEGZSA-N	411.546	3.567	10	20	HHCD	
C[C@@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc(Br)ccc1O	756894754	PYIHPVVSWCAODF-LLVKDONJSA-N	404.264	3.726	10	20	HHCD	
CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(C)c1ccc(OC)c(Cl)c1	758142632	MDMFDTHWXQYCSR-UHFFFAOYSA-N	404.894	3.605	10	20	HHCD	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	759020591	XMXHHLPYKIZVQG-OAHLLOKOSA-N	418.896	3.841	10	20	HHCD	
O=C1N[C@H](c2ccccc2F)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761635156	KBQWITZAVCOQGY-RDTXWAMCSA-N	419.403	3.689	10	20	HHCD	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OC(F)F)SC(=S)N1Cc1ccon1	764419700	ZWCOSYWMTYSRQR-SDQBBNPISA-N	413.383	3.586	10	20	HHCD	
O=S(=O)(Cc1ccc(F)c(Cl)c1)NCc1cccc(Br)c1O	766199534	DWTNVACLPNWDQE-UHFFFAOYSA-N	408.676	3.567	10	20	HHCD	
C[C@@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(N2CCCCC2)cc1	766514494	XLSSLRPUTDEVQH-HXUWFJFHSA-N	414.638	3.954	10	20	HHCD	
COc1cc(O)c([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1OC	768266153	NCXFLDWONGLLGC-QFIPXVFZSA-N	420.421	3.909	10	20	HHCD	
COc1cc(Br)cc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1O	772601498	SHOIGCSHVQKTPT-CYBMUJFWSA-N	417.307	3.937	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1O	772831119	XSXXFHCCAQPXSU-GCJKJVERSA-N	406.526	3.778	10	20	HHCD	
CCOC1CC(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)(N2CCOCC2)C1	774475490	JNDNOSJSXPVXBP-XOYNAWAESA-N	401.595	3.597	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c1O	774852294	IMOWPANAVNDTGX-UHFFFAOYSA-N	414.437	3.903	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	775258653	IIDJWUOCTSRJGL-XXBNENTESA-N	412.574	3.911	10	20	HHCD	
C[C@@H](NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccc(N(C)C)cc1	775403197	HIOPJHREVMPLML-GFCCVEGCSA-N	421.398	3.982	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3COC4(CCCCC4)O3)ccc21	775802853	ZDZAPAIIGOMRRU-LJQANCHMSA-N	400.519	3.710	10	20	HHCD	
COc1cccc2[nH]cc(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c12	778673478	DIBZYLYDYYTDMW-OAQYLSRUSA-N	421.541	3.993	10	20	HHCD	
Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccc(O)c(O)c3)[C@H]2c2cccs2)cc1	778925169	IHZLIQYIXWCNNE-JTSKRJEESA-N	422.506	3.878	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)OC(C)(C)C3)cc2F)C[C@@H](C)O1	785567366	WHVIJCUTAHQYFU-HZPDHXFCSA-N	407.530	3.538	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1ccc(Br)cn1	793101854	HCQXBDLASWQPPU-JTQLQIEISA-N	401.355	3.843	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	793576252	ODBOTFBBZNHYMC-DLBZAZTESA-N	420.550	3.868	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@@H]2CCCc3nn(C)cc32)NC(=O)OC(C)(C)C)cc1	794816210	YBSZVSJADUWEDP-CTNGQTDRSA-N	413.566	3.719	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)n2)c(C)o1	799635886	ALCHHFRIMJOQKL-UHFFFAOYSA-N	405.501	3.523	10	20	HHCD	
Cc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c(-c2cnn(C)c2)c1	801720781	KTPSNILVYFBNCC-UHFFFAOYSA-N	408.521	3.786	10	20	HHCD	
COc1cccc(C2(CNC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CCCC2)c1	805291844	FGJPERMDHGNQPO-GOSISDBHSA-N	423.557	3.567	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1	807101214	VOCXNBVUDCYWGJ-UHFFFAOYSA-N	418.541	3.565	10	20	HHCD	
CC[C@H]1CCCC[C@@H]1c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	809464801	LSOGDPSYSTXFLN-PXNSSMCTSA-N	412.534	3.653	10	20	HHCD	
O=[N+]([O-])c1ccc(O)c(CNCc2c(Br)cncc2Br)c1	811477507	UAAJLSKNJBDQHA-UHFFFAOYSA-N	417.057	3.510	10	20	HHCD	
CON(Cc1ccccc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	812008994	LALKFWQCFMUODM-UHFFFAOYSA-N	421.900	3.713	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@H](CCc2ccccc2)c2ccccc2O)CC1	815558800	OOFXIKGLQXCDOD-JOCHJYFZSA-N	416.587	3.860	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc2cccnc12	815587197	BZIPBOJGMBIKIZ-UHFFFAOYSA-N	420.513	3.685	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)n2)s1	906478263	NAUKZDZTWBNMLE-UHFFFAOYSA-N	421.525	3.680	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCC[C@H]1C[C@H]3CC[C@H]1C3)c2[N+](=O)[O-]	916400164	UTVNACQWLBWPNN-KKUMJFAQSA-N	418.449	3.926	10	20	HHCD	
CC(C)N(CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccc(N(C)C)cc1	917075456	WCURFGAZAFMVGH-UHFFFAOYSA-N	408.546	3.729	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1	917850883	XYKLZXGTUDUQFB-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
O=C(NCCOc1cccc(Br)c1)NCc1ccc(N2CCCC2)cc1	918138684	XYYBELUNAVEUMN-UHFFFAOYSA-N	418.335	3.928	10	20	HHCD	
Cc1c(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)oc2ccc(F)cc12	920350166	XLJPAPGFZIHLKJ-UHFFFAOYSA-N	415.440	3.855	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1	1252595839	FPYURFGZBLCXPA-SFHVURJKSA-N	401.938	3.542	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3C)n2)cc1	1318212962	NILOHVZULAAFMZ-UHFFFAOYSA-N	419.503	3.695	10	20	HHCD	
COC(=O)Cn1ncc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c1C	1339618785	PCQFGIJQIBIQLI-UHFFFAOYSA-N	400.866	3.678	10	20	HHCD	
C[C@@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)CC=CCC1	1800720074	YHAOILDQUJECOY-JEZSTIGHSA-N	418.921	3.749	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)cc1	110353999	VRCKMNXWQHLZJN-UHFFFAOYSA-N	424.501	3.602	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CCNC(=O)c1ccc(Br)cc1	303179041	XXMYHYARLLHJNP-UHFFFAOYSA-N	419.319	3.713	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4)ccc21	482778471	GDWNWQWLKSIYMP-HNNXBMFYSA-N	405.498	3.890	10	20	HHCD	
CCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1Cc1ccccc1	726563990	WPSYPONZPSHBPT-UHFFFAOYSA-N	418.541	3.901	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c(C)c1	727359075	KYKNCSCKYQFURI-UHFFFAOYSA-N	414.531	3.505	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)ccc1OC	727864811	XWRGOXGVHODYLH-LDADJPATSA-N	400.525	3.933	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)ccc21	728639345	PNOZKCHLYULXRG-QFIPXVFZSA-N	408.498	3.891	10	20	HHCD	
COC1CCN(C(C)(C)CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	730908116	UCTNLQDDIPYSNR-UHFFFAOYSA-N	415.534	3.586	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](c4ccco4)C3)cc2F)C[C@@H](C)O1	732241117	BIEVRYFFYRTYBI-JZXOWHBKSA-N	401.482	3.731	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1ccc2c(c1)COC2	732911372	WPXIIYNBKQZNMU-UHFFFAOYSA-N	424.507	3.827	10	20	HHCD	
C[C@@H](NC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	734665253	XDHZROAUQOPHKP-YKSBVNFPSA-N	422.573	3.895	10	20	HHCD	
Cn1ccnc1-c1cccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	736973124	KDUCMNJGKKKFOF-UHFFFAOYSA-N	419.529	3.618	10	20	HHCD	
O=C1OCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1	741136234	LNPDTSGIUNZIDA-UHFFFAOYSA-N	419.459	3.707	10	20	HHCD	
CC(C)N(CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccc(N(C)C)cc1	746651855	XQTJQYCCGRUCBO-UHFFFAOYSA-N	423.601	3.828	10	20	HHCD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	747844870	IQWMICHIGUOCPT-QHCPKHFHSA-N	419.566	3.721	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3c(-c4ccccn4)noc3=O)c2C)cc1	749357337	AJTKPQHCLKUFRR-UHFFFAOYSA-N	418.453	3.587	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC)cc1	750861845	JHWGKSGHQBTYHF-INIZCTEOSA-N	404.532	3.521	10	20	HHCD	
COc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)sc(C)c1Br	753640135	KGLZFCAKKIBCEM-MRVPVSSYSA-N	400.294	3.600	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@H](c2ccc(F)cc2)C1	755912735	LNVWBVPPRQHRQF-SFHVURJKSA-N	415.484	3.625	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Br)cc(F)c1O	756544726	VIGIBZDJHQVCEM-MWLCHTKSSA-N	420.225	3.663	10	20	HHCD	
CCNC(=O)COc1ccc(N[C@H](C)c2cc(Br)cc(F)c2O)cc1	756802224	GMNNXTFUXJJOJW-LLVKDONJSA-N	411.271	3.982	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCN(CC(C)C)C1	757302701	GWTJAUICQGCSGV-HNNXBMFYSA-N	412.372	3.664	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2cc(C)oc2C)cs1	757552775	YNKRDLJXIGBDMT-UHFFFAOYSA-N	410.448	3.746	10	20	HHCD	
OC[C@@H](CNCc1c(O)ccc(Cl)c1F)Cc1ccc(Br)cc1	758525937	RBDKYMIYTODNLA-GFCCVEGCSA-N	402.691	3.888	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1F	758882162	RMMHYOMESIOKJG-VLIAUNLRSA-N	421.875	3.520	10	20	HHCD	
CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NCCCSc2nccs2)CC1	759580679	PJWMLZYQDTXNOE-GOSISDBHSA-N	424.636	3.838	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1	760003300	JSGSBLZXJJFEAQ-OAQYLSRUSA-N	401.510	3.873	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)cc(OC)c1OC	760123633	KQPYHFLKQLEDCG-RCCFBDPRSA-N	417.550	3.513	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cnc([C@@H]4CCCO4)s3)cc2F)C[C@@H](C)O1	760375926	CUSBYOOYQONWAS-LBTNJELSSA-N	419.522	3.677	10	20	HHCD	
COc1cc(Cl)cc(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O	761216402	QKWABEIELWJUJL-RTBURBONSA-N	411.329	3.869	10	20	HHCD	
CCc1noc2ncc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)cc12	762579918	WOABSKDLFVRXME-UHFFFAOYSA-N	404.448	3.849	10	20	HHCD	
CCCSc1nsc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	762950895	FAOUBXFNLQDSNR-AWEZNQCLSA-N	408.549	3.959	10	20	HHCD	
C[C@@H](NCc1cccc(CN2CCCC2=O)c1)c1ccc(N2CCOCC2)c(F)c1	764913212	KLBMFCCNRHFPKE-GOSISDBHSA-N	411.521	3.636	10	20	HHCD	
COc1cc(F)c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OC	765286504	LWJOTFRKNHNOKN-AWEZNQCLSA-N	406.473	3.794	10	20	HHCD	
COc1ccc(N2CCC(NCC3(c4ccc5c(c4)OCO5)CCOCC3)CC2)cc1	765326469	MCGMWBBLYWABBV-UHFFFAOYSA-N	424.541	3.731	10	20	HHCD	
COc1ccc(N2CCC(NCC(=O)Nc3ccc(Br)cc3)CC2)cc1	765379107	DFFHQBAKPHSZLS-UHFFFAOYSA-N	418.335	3.655	10	20	HHCD	
O=C(NCc1ccccc1N1CCCC1)NCc1cccc(Br)c1O	765479504	UCZFUYIJXGDESH-UHFFFAOYSA-N	404.308	3.754	10	20	HHCD	
Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	765596695	WYMOCNJOHHJHCT-UHFFFAOYSA-N	416.525	3.591	10	20	HHCD	
CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1	765903883	OYIJHWNEHKDHOW-UHFFFAOYSA-N	405.292	3.707	10	20	HHCD	
COc1cc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)c([N+](=O)[O-])cc1F	766228951	QVRGBZQXYONTGJ-UHFFFAOYSA-N	417.418	3.729	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(C2CCOCC2)c1C	767068405	ANDHWMPMIOYSCM-UHFFFAOYSA-N	422.323	3.673	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSCC2CCN(C(=O)OC(C)(C)C)CC2)cc1	767214254	GUINEXJTJQCTPQ-UHFFFAOYSA-N	421.607	3.749	10	20	HHCD	
Cc1ccc(O)c(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1	768156622	PIKOOZBPKVHUJY-UHFFFAOYSA-N	415.342	3.514	10	20	HHCD	
O=C(NC1CCN([C@H]2CCC[C@H]2O)CC1)N(Cc1ccccc1O)C1CCCCC1	769158131	YWCGXTKHVQKLJJ-JTHBVZDNSA-N	415.578	3.614	10	20	HHCD	
CC(=O)N1CCc2c(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cccc21	769249006	ZJGSEGPHAAARDP-SFHVURJKSA-N	409.486	3.514	10	20	HHCD	
COc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(C)c1	769753159	NULKIUJDGPVVNG-UHFFFAOYSA-N	418.496	3.824	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H]2CCC[C@H]21	769919743	FUNDQRRQKKZUSY-XJKSGUPXSA-N	406.529	3.659	10	20	HHCD	
C[C@H](NC[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	773132103	TZWAMQSITKRAOP-KXBFYZLASA-N	407.530	3.616	10	20	HHCD	
COCCNC(=O)[C@H](Cc1ccccc1)N[C@H](C)c1cc(Cl)c(Cl)cc1O	774302038	JVBVJZQULBVVKS-ACJLOTCBSA-N	411.329	3.724	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1C	775209319	UMCXWPMYNPACNF-UHFFFAOYSA-N	417.512	3.886	10	20	HHCD	
Cc1ccccc1-n1nccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	775372820	JRKBVVORMOHSGX-UHFFFAOYSA-N	423.492	3.603	10	20	HHCD	
C[C@H](NCC(=O)N1c2ccccc2NC(=O)C12CCCC2)c1ccc(N(C)C)cc1	775830433	IKSIEVGUKSZNIG-KRWDZBQOSA-N	406.530	3.701	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1-c1ccc(F)cc1	776852883	PYSMTOCTNCJEAX-KRWDZBQOSA-N	408.477	3.647	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cn1	781646890	QFTRILKLNKSURW-UHFFFAOYSA-N	405.501	3.722	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)Nc2ccc(SC(F)F)cc2)cc1	784564188	PDXQFMSGVPVTFV-UHFFFAOYSA-N	410.442	3.628	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1	785439594	ROBLWXPYAQNETH-UHFFFAOYSA-N	411.521	3.869	10	20	HHCD	
COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2ccccc2O)c([N+](=O)[O-])c1	786796942	NITNUMIKFRPNAK-UHFFFAOYSA-N	420.421	3.954	10	20	HHCD	
Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	789588236	AJWDXLWNTJUIOX-UHFFFAOYSA-N	417.513	3.925	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)cc1	790911153	FRVXLEJLHBEAAK-FPOVZHCZSA-N	420.557	3.776	10	20	HHCD	
COc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc(-n2cccn2)c1	791968115	BCMXSLYERQRAGC-KRWDZBQOSA-N	421.501	3.600	10	20	HHCD	
Cc1c(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cnn1C	794020068	SOHOHFROQZHQIK-UHFFFAOYSA-N	402.423	3.672	10	20	HHCD	
COc1ccc(Br)cc1CNc1cc(CS(C)(=O)=O)ccc1OC	795290027	MECHFPZCSFCRER-UHFFFAOYSA-N	414.321	3.623	10	20	HHCD	
CO[C@]1(C)CCCN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	796500257	KCEVESUJZXCIGO-IVCQMTBJSA-N	420.509	3.680	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1	797434381	SXDQRXPMYWYKPT-HXUWFJFHSA-N	408.546	3.727	10	20	HHCD	
Cc1noc(C2CN(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)C2)n1	800720573	UURKJSXKRBPOSV-ZDUSSCGKSA-N	403.914	3.577	10	20	HHCD	
Cc1cc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC(C)C)c(C)n1-c1ccccc1	802675513	COKAQRQXHQVAKV-DEOSSOPVSA-N	420.561	3.710	10	20	HHCD	
C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1c(Cl)cccc1Cl	804305217	IYIOUUXOQGLTOW-AWEZNQCLSA-N	422.356	3.938	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCC1)c1ccc(N(C)C)cc1	804344761	DQFGGRYEUJYRQS-INIZCTEOSA-N	413.949	3.821	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCC(C)(C)c1ccc(F)cc1Cl)c1ccc(N(C)C)cc1	806263556	PHDIDDBRBXERRO-CQSZACIVSA-N	419.928	3.816	10	20	HHCD	
CC1(C)C[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C(C)(C)O1	806953035	FJQYFUNOSRPCCI-IBGZPJMESA-N	402.535	3.516	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccnn1C1CCCCC1	807513115	GHDJDYCUPLTJOJ-UHFFFAOYSA-N	411.289	3.656	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)c1ccc(N(C)C)cc1	807672362	YBJTYQCVDJYCIC-QGZVFWFLSA-N	418.541	3.817	10	20	HHCD	
Cc1ccc2nc([C@H]3CCCN3CC(=O)N(C)Cc3ccc(N(C)C)cc3)[nH]c2c1	809566630	PFZGIWUEWOBLCW-JOCHJYFZSA-N	405.546	3.733	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1O	809727286	VPUXGWAMJBIHPR-UKRRQHHQSA-N	408.842	3.916	10	20	HHCD	
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1ccc2c(c1)CCCN2C	810266480	NNQAQUKAHNFACM-UHFFFAOYSA-N	400.832	3.563	10	20	HHCD	
COc1ccc(N2CCC(N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1	812842344	IPYDQAQPDHSOGQ-NRFANRHFSA-N	417.912	3.852	10	20	HHCD	
O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1	813730135	UHWPPKBWZXVTEU-KSEUIEODSA-N	402.491	3.551	10	20	HHCD	
O=C(c1nc(F)ccc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1	816922183	UAHLYCZOIXDLPN-CYBMUJFWSA-N	409.255	3.510	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCCC2=O)sc(C)c1-c1ccc(F)cc1	830096838	PHRMCWVUCRREIZ-UHFFFAOYSA-N	404.463	3.600	10	20	HHCD	
Cc1cc(CCNC(=O)COc2ccc3c(c2)CCC(=O)N3)c(C)n1-c1ccccc1	871639085	IXEWYETYENRQLL-UHFFFAOYSA-N	417.509	3.717	10	20	HHCD	
COC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cn1	875300020	QPOJAXBPQPNVBR-UHFFFAOYSA-N	420.465	3.932	10	20	HHCD	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)n2)c(C)c1	914789490	AZRANHJPGBORHJ-UHFFFAOYSA-N	415.540	3.943	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C2CC2)cc1	915847319	BQMPOQLJPKLURY-UHFFFAOYSA-N	405.458	3.651	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@H]1CCCc2ccccc21	918210608	QMCNZZALKHRZRA-QFIPXVFZSA-N	407.558	3.815	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1	918433475	BESBPUUZMUQPGD-UHFFFAOYSA-N	423.435	3.729	10	20	HHCD	
CC(C)C(=O)NC1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	918445554	DWMSWMRHGFSQIM-UHFFFAOYSA-N	421.501	3.804	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C)OC[C@H]2CCCCO2)c(C)n1-c1cccc(F)c1	921221134	DVRUWXHJHGIRCG-YLJYHZDGSA-N	417.477	3.933	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCCO2)cc1	1801922225	ZKNKCLWQOSWRNH-MALNDZBISA-N	421.541	3.525	10	20	HHCD	
C[C@@H](NC(=O)c1cc(Br)cnc1Cl)c1ccc(N2CCOCC2)cc1	110224079	DDMNOGDRDHHZQH-GFCCVEGCSA-N	424.726	3.825	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1ncnc2c1c(Br)nn2C	301152007	KVNBHQFALVWTMB-UHFFFAOYSA-N	415.339	3.753	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)c(C)n1-c1ccc(F)cc1	237784815	JERVOKKTKHXTSD-UHFFFAOYSA-N	423.444	3.690	10	20	HHCD	
CCOc1ccccc1OCCCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	145484743	UOACWGDFWMHFML-IBGZPJMESA-N	412.530	3.958	10	20	HHCD	
CS(=O)(=O)c1cccc([C@H](NCc2ccccc2O)c2ccc(F)c(F)c2)c1	237475290	HFGODQOVGASQFA-NRFANRHFSA-N	403.450	3.953	10	20	HHCD	
Cc1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1-c1ccccc1C(C)C	437020831	QWQVJKIBIJZHMF-UHFFFAOYSA-N	405.502	3.804	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](CC)CS(=O)(=O)c1ccccc1	802260307	DHGIBSLMDNKLGM-LJQANCHMSA-N	418.559	3.956	10	20	HHCD	
CCN(CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)CCC(F)(F)F	807176231	AIJARPWURPAQER-UHFFFAOYSA-N	402.244	3.773	10	20	HHCD	
CC[C@@](O)(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1cccc(Cl)c1	800477865	JGIYQKPKRHGWCG-QFIPXVFZSA-N	402.922	3.731	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1	802440598	UFMYPUGHEKAATI-VGSWGCGISA-N	423.561	3.860	10	20	HHCD	
Cn1nc2c(c1CNC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)CCCC2	813013404	SZOKSOOOZDRVCX-UHFFFAOYSA-N	416.485	3.969	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1	726283337	CEQLQOWFSSSVSL-UHFFFAOYSA-N	414.937	3.651	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1	729043279	CKELOKFQNYLDKT-OXQOHEQNSA-N	413.518	3.607	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(=O)c2ccncc2)cc1	733800981	PTGVAEHNROBBBG-QGZVFWFLSA-N	417.513	3.960	10	20	HHCD	
COc1ccccc1[C@@H](C)N(C)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	732202565	WXRJZMPYLFENNR-QUCCMNQESA-N	412.530	3.601	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1	734687708	RVWOUQPWUPXAIN-UHFFFAOYSA-N	402.970	3.988	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1nc2cc(Cl)ccc2n1C	732203006	LIJFZWRNGMESEZ-UHFFFAOYSA-N	408.285	3.761	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCCS(=O)(=O)Cc1ccccc1	917514584	PCLQXKCYVNPASI-UHFFFAOYSA-N	416.568	3.891	10	20	HHCD	
CC(C)CO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)n1	745788232	HRBDWOOMPJXMKR-MRXNPFEDSA-N	415.538	3.527	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2F)C[C@H](C)O1	917712689	QIBHAPDRVLCTIB-STQMWFEESA-N	421.856	3.931	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cnn(Cc2ccccc2)c1	918070784	SOXGMOSSTWLHBE-UHFFFAOYSA-N	407.543	3.806	10	20	HHCD	
CCN(CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cccc(C)c1	915902772	IRLOXUQKHOETQJ-QFIPXVFZSA-N	411.546	3.918	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1	740812899	IOFAVRCALNGRDJ-UHFFFAOYSA-N	408.954	3.744	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(OCCC(C)C)cc2)c1	746038810	JMPRYTFCERNEAN-HNNXBMFYSA-N	400.475	3.642	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1C(C)(C)C	742271705	PYWUHHJAFYXQTI-UHFFFAOYSA-N	402.560	3.641	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cn(CC(C)C)cn2)n1	748635505	FIODXHRGDIJEFU-UHFFFAOYSA-N	410.496	3.611	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(OCCN(C)C)c1	745461069	POFMUOQNOPEDDN-UHFFFAOYSA-N	412.578	3.813	10	20	HHCD	
CN(c1ccc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1)C1CCCCC1	742416649	JPYQDTJWIIEPRL-UHFFFAOYSA-N	421.463	3.952	10	20	HHCD	
Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)NCc1ccc(N2CCCCC2)cc1	746171859	AGLRXRUTHLNSBO-UHFFFAOYSA-N	421.545	3.530	10	20	HHCD	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(C)n(-c2ccccn2)c1C	914847265	CDRWUPTYMWXQOI-UHFFFAOYSA-N	412.440	3.868	10	20	HHCD	
CN1CCN(CCCN(C)CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	746464345	VEPTVRGKPOPVFU-UHFFFAOYSA-N	408.550	3.610	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NCc2ccc(N3CCCCC3)cc2)C1	748298068	RVUJBCBNBYTJGY-JOCHJYFZSA-N	405.514	3.642	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc(C(C)(C)C)no1	745916778	BPANFESZPQHPQM-GDBMZVCRSA-N	402.495	3.525	10	20	HHCD	
COc1cccc(O[C@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1	743555046	OTLCOKITOXSBOD-QGZVFWFLSA-N	415.559	3.515	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3cc(C(N)=O)cs3)c2C)c1	920602014	GRBLACWKDWILDG-UHFFFAOYSA-N	410.495	3.911	10	20	HHCD	
Cc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)n1[C@H]1CCC[C@H](C)C1	758161879	DCLJVRZDPMORPF-KXBFYZLASA-N	401.580	3.812	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c1	751811969	BHMQWPHFVXEMEJ-LSDHHAIUSA-N	409.527	3.700	10	20	HHCD	
C[C@@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2ccccc2N(Cc2ccccc2)C1=O	750868105	TUKZPOPOTAJQFC-MENFKHAKSA-N	400.482	3.649	10	20	HHCD	
CO[C@@H]1C[C@@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1(C)C	753261205	NIIIBYIQYKSNCO-TZNPFNDMSA-N	424.613	3.659	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(C)nn2C2CCN(C)CC2)cc1F	751011216	KZTZTRIENQWKSA-UHFFFAOYSA-N	416.545	3.765	10	20	HHCD	
CN(C(=O)NCCCSc1nccs1)[C@@H]1CCCN(Cc2ccccc2)C1	759588790	ASIHZLVJRBVBRI-GOSISDBHSA-N	404.605	3.931	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3csc([C@@H]4CCCO4)n3)cc2F)C[C@@H](C)O1	755578627	GOCTZUFPHGSQHL-LPMFXHHGSA-N	419.522	3.677	10	20	HHCD	
O=S1(=O)CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@H]2CCCC[C@H]21	753546879	LYRNJXBAEVZAEL-RBBKRZOGSA-N	401.528	3.513	10	20	HHCD	
Cc1ccc(CNC(=O)NCCCSc2nccs2)c(O[C@@H]2CCOC2)c1	759584543	ABQGAJDBLKRWKS-MRXNPFEDSA-N	407.561	3.601	10	20	HHCD	
CN(Cc1cc(Br)cn1C)C(=O)NCc1ccc2c(c1)CCCN2C	758729920	QRUALTCJEFNKNA-UHFFFAOYSA-N	405.340	3.512	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCc4nnc(C)n4C3)c2C)c1	750680458	UJNNOBMFPVBOTC-LJQANCHMSA-N	420.513	3.599	10	20	HHCD	
C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1	765280849	DAFGFVBKAYBBLO-SFHVURJKSA-N	415.965	3.703	10	20	HHCD	
Cc1nnc(-c2ccccc2C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1	764923470	BQBMOMGJLRKRBY-GJZGRUSLSA-N	424.476	3.728	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1	768194420	YWDAEVYPCNBWLX-UHFFFAOYSA-N	421.585	3.784	10	20	HHCD	
CC1CCC(N(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C2CC2)CC1	766881044	VVSSOSIALGPXOF-MOMVYJMYSA-N	412.578	3.641	10	20	HHCD	
CCN(Cc1ccc(N2CCOCC2)c(F)c1)CC1CCN(c2ccccn2)CC1	769467333	ULABLFUTWVJLMB-UHFFFAOYSA-N	412.553	3.796	10	20	HHCD	
CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1nccn1C	777303052	WLQMRVRLKWYZGF-RBUKOAKNSA-N	401.555	3.793	10	20	HHCD	
CCO[C@@H]1C[C@H](NCc2cc(Br)cc(OC)c2O)[C@@H]1Oc1ccccc1	776008521	TUJDUADOJJEEOW-HQRMLTQVSA-N	422.319	3.878	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@H](OC)c3ccc(F)cc3)CC2)cc1F	770832098	TVDUVHMBMPOICT-BTYIYWSLSA-N	419.472	3.581	10	20	HHCD	
COc1cc(O)c(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC	776175200	JGOUKOVPPFKOLP-KRWDZBQOSA-N	406.910	3.523	10	20	HHCD	
COc1ccc2c(c1)nc(CNC(=O)N(C)Cc1ccc(N3CCCCC3)cc1)n2C	771390371	AAOKPFZSQKHMHZ-UHFFFAOYSA-N	421.545	3.914	10	20	HHCD	
C[C@@H](NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(N(C)C)cc1	775832019	WJYDURUAGBCLNF-GOSISDBHSA-N	423.557	3.760	10	20	HHCD	
Cc1coc(-c2cc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc2C)n1	773859609	WRAVOUWSJZQNRE-MRXNPFEDSA-N	406.486	3.840	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(F)c(OC)cc2C)cc1	773218424	GTCJCGWFCROITF-UHFFFAOYSA-N	401.482	3.586	10	20	HHCD	
CC(C)C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1nccs1	773147763	GPIBOHIGELZDCT-MAUKXSAKSA-N	420.554	3.823	10	20	HHCD	
O=[N+]([O-])c1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cc(C(F)(F)F)c1	785522651	QVXDVTYCLIWKRW-UHFFFAOYSA-N	413.371	3.879	10	20	HHCD	
C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1ccc(N(C)C)c(F)c1	783509948	VILDIAOEZPYPGL-OAHLLOKOSA-N	412.509	3.747	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1	783933039	UUUIOJKEWRESCT-QFIPXVFZSA-N	404.555	3.589	10	20	HHCD	
COCCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(N2CCC(C)CC2)c1	786874548	XVSFXJZFMYHXFQ-UHFFFAOYSA-N	422.522	3.888	10	20	HHCD	
CC(C)n1ncc2c1[C@@H](NC(=O)NCc1ccc(N3CCSCC3)cc1)CCC2	1338003234	YGUARUXEEXCXKX-FQEVSTJZSA-N	413.591	3.894	10	20	HHCD	
O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1)C1CCC1	1816672794	VINYDKUXZHITAI-HNNXBMFYSA-N	418.881	3.580	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)C(C)(F)F)C2)cc1	1842843572	BGPONDZTMVALGG-UHFFFAOYSA-N	401.457	3.566	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)c2)oc1C	60749488	MLYJVSSOMRDOQA-UHFFFAOYSA-N	418.497	3.596	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)Cn1ccc(=O)c2cccc(Br)c21	110441417	JKHOAEYBYIHIAR-UHFFFAOYSA-N	400.320	3.920	10	20	HHCD	
Fc1cc(CNCc2c(F)cccc2F)ccc1N1CCN(c2ncccn2)CC1	139819035	NMBZWKRDSZCHIG-UHFFFAOYSA-N	413.447	3.510	10	20	HHCD	
Cc1c(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)n(C)c2ccccc12	489980160	QIJSVSKCZOWAEE-UHFFFAOYSA-N	403.530	3.552	10	20	HHCD	
O=C(CCc1nc2ccccc2[nH]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565202	GNYDMPCONHOKBP-UHFFFAOYSA-N	414.456	3.882	10	20	HHCD	
O=S(=O)(c1ccc(CN(Cc2ccccc2O)C2CCCC2)o1)N1CCCC1	731848151	VAXKOGUMLZZJBF-UHFFFAOYSA-N	404.532	3.715	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2Sc2ccccc2)c1	734072482	BXTBOUYBXDORKM-UHFFFAOYSA-N	408.479	3.807	10	20	HHCD	
O=C(CCc1nnc(-c2ccccc2)o1)N(Cc1ccccc1O)C[C@H]1CCCO1	735519262	PPVYQPXPOLCSKV-LJQANCHMSA-N	407.470	3.583	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(I)c1	741055483	JWDXWQWWEWDXPU-UHFFFAOYSA-N	419.266	3.989	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCSc4ccccc43)cc2F)CC1	741926443	HQCLUOBJCIIXHK-IBGZPJMESA-N	413.562	3.863	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(F)c(Br)c3)CC2)cc1	742618755	LIPDENHFUQTTTA-UHFFFAOYSA-N	407.283	3.996	10	20	HHCD	
C[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C(F)(F)F	742755852	YKBNVYQZRJZEHB-IUODEOHRSA-N	403.445	3.633	10	20	HHCD	
CCc1cccc(CC)c1NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	743278009	JTEUYYKIUAUKAH-UHFFFAOYSA-N	410.562	3.764	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@]3(C)c3ccccc3)cc2F)C[C@@H](C)O1	743555298	VEGJIKYZEBEIET-JLZXMEHYSA-N	411.521	3.969	10	20	HHCD	
Cc1cc(CC(=O)N[C@H](C)C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1	743696850	WIWJMIHXYILDRN-OAHLLOKOSA-N	413.905	3.704	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(c2nc3ccccc3o2)CC1	743719621	LQDWXNAKDPYHAD-UHFFFAOYSA-N	405.498	3.945	10	20	HHCD	
COCCN(CC(=O)N[C@@H](C)c1ccccc1Cl)c1ccc(OC)c(OC)c1	746477781	FNENSLYDJXLNFA-HNNXBMFYSA-N	406.910	3.687	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C(N)=O)o3)c2C)c1	747179516	BBKVSCULRYYXHW-UHFFFAOYSA-N	412.467	3.548	10	20	HHCD	
COc1ccc2[nH]cc(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c2c1	751407380	UUEHIKZGOUQRFV-QFIPXVFZSA-N	421.541	3.993	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@H](Cn2ccnn2)C1	752421891	YDWJKHYCJDQQCQ-KRWDZBQOSA-N	417.473	3.571	10	20	HHCD	
C[C@@H](NC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	754847493	LJOPLUCECJVGJA-QVKFZJNVSA-N	422.447	3.627	10	20	HHCD	
C[C@H](NCC1(N2CCCC2)CCOCC1)c1cc(Br)cc(F)c1O	756544029	RPUWOZURGAKCQB-ZDUSSCGKSA-N	401.320	3.589	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1(C(F)(F)F)CC1	757391210	IZZAXQISVKAKPJ-PKNBQFBNSA-N	420.503	3.941	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(I)c(O)c1	760852375	NSBXHAVYCYBCGU-UHFFFAOYSA-N	424.282	3.725	10	20	HHCD	
C[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1CCOCC1	762400022	WWVRDTMYPCWECS-OPCAMPFDSA-N	424.613	3.661	10	20	HHCD	
O=C(NCc1csc(-c2ccco2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	764374538	MHKURRYXQLTXTC-KRWDZBQOSA-N	413.499	4.000	10	20	HHCD	
CC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nnc2n1CCCCC2	765640201	AJLCDEJIFAQMQS-QFBILLFUSA-N	401.530	3.782	10	20	HHCD	
C[C@@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	765868563	PGXPWHCNCUVVLC-AEFFLSMTSA-N	407.530	3.712	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C2(C)OCCO2)cc1	767727086	VLIYEYIGZZCKFL-UHFFFAOYSA-N	418.559	3.571	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(NC(C)=O)ccc3Cl)CC2)cc1	767892658	UTSROAKVUZAJOY-UHFFFAOYSA-N	401.894	3.660	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc4ncccc4c3)cc2F)C[C@@H](C)O1	768516996	JRHOBQKUPWKINO-CALCHBBNSA-N	423.488	3.683	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC[C@H](c3nnc4n3CCC4)C2)ccc1N1CCCCC1	769337400	DPXOJTHPSZHHHC-SFHVURJKSA-N	410.522	3.502	10	20	HHCD	
O=C(CCc1cccc2c1OCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	769967153	HZRILQRWSODZMK-MRXNPFEDSA-N	418.440	3.735	10	20	HHCD	
COC(=O)CCCN(Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1	770351602	SXGAWWORWQFZRT-UHFFFAOYSA-N	400.494	3.618	10	20	HHCD	
Cc1cc(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)c(C)n1-c1ccc(Cl)cc1	771036794	CZEJSNHDOVBQCM-JOCHJYFZSA-N	415.965	3.660	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c[nH]nc1-c1ccccc1	771054068	SLDSOMZIMUBAAK-SFHVURJKSA-N	410.905	3.830	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1C(C)(C)C	771063083	DNBOZBDKVATXFY-QGZVFWFLSA-N	404.942	3.700	10	20	HHCD	
O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(-c2cocn2)no1	771363871	GMJIKRKXDLEQOI-GHXNOFRVSA-N	404.498	3.620	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl	771528425	SDMAQVKAKISOIP-UHFFFAOYSA-N	415.877	3.590	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)cc1	772288961	JXOWZUSVHCWTCR-UHFFFAOYSA-N	409.490	3.860	10	20	HHCD	
CC(C)COc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	772790824	MZQFGLMIMSUUPI-LJQANCHMSA-N	412.530	3.814	10	20	HHCD	
CCCc1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccccc1Cl	773761299	ARGBMHSLCJHWBJ-ZDUSSCGKSA-N	414.893	3.645	10	20	HHCD	
COc1ccc(Oc2cc(CNCc3ccc([N+](=O)[O-])c(OC)c3O)ccn2)cc1	774977407	OREHCGJCPOQKPO-UHFFFAOYSA-N	411.414	3.795	10	20	HHCD	
CC[C@@H](NCCNC(=O)c1ccc(OC)cc1)c1cc(Br)ccc1O	775519615	MTSLZMWYBYPLTJ-QGZVFWFLSA-N	407.308	3.634	10	20	HHCD	
COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)N1CCCC1	776103159	PORORYQHHCVZJQ-XMSQKQJNSA-N	410.562	3.959	10	20	HHCD	
CCOc1ccccc1[C@](N)(C(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F	776317055	WTZAXYNHNSZRGT-FQEVSTJZSA-N	409.452	3.526	10	20	HHCD	
COc1cc(OC)cc([C@H](NCc2cc(Cl)cc(F)c2O)c2nccn2C)c1	777445212	IKCKNMYEJQZKDX-SFHVURJKSA-N	405.857	3.815	10	20	HHCD	
CC1CCC2(CC1)OC[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)O2	777760671	JGXWYMVIGPPNDO-QKTWPWEVSA-N	401.551	3.748	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCc2c1cccc2C(F)(F)F	784029252	ZKAREVDEDAAPQT-UHFFFAOYSA-N	406.404	3.739	10	20	HHCD	
O=C1[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCN1C1CCCCC1	785548064	JGYSLENKXGROLY-FQEVSTJZSA-N	414.550	3.998	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cc3cccc(Cl)c3Cl)cc2)C1	788743917	WRFCETMXUDQKHD-MRXNPFEDSA-N	420.340	3.554	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2	789756248	DLJVYSQHVNKSBE-AWEZNQCLSA-N	401.532	3.741	10	20	HHCD	
CCc1cc(C)cc(CC)c1NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	796732019	KHMFXKFCOWMSGZ-GOSISDBHSA-N	423.557	3.772	10	20	HHCD	
COc1cccc(N2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)c1	805063176	FLCLYIYFTQHUPM-AWEZNQCLSA-N	410.301	3.786	10	20	HHCD	
CC[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1O	806133246	KCTPAGBZBGCCDY-LRDDRELGSA-N	414.285	3.908	10	20	HHCD	
COc1ccc(Cn2cc(NC(=O)NCc3ccc4c(c3)CCCN4C)cn2)cc1	806634522	IUJWRFGRCAVLLJ-UHFFFAOYSA-N	405.502	3.644	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	807096122	IOPUKDPOSNRDCQ-UHFFFAOYSA-N	418.541	3.565	10	20	HHCD	
CSc1c(F)cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F	807513286	YBOYWPSJLDJIFV-UHFFFAOYSA-N	421.252	3.954	10	20	HHCD	
CC(C)c1cccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	807961149	DXPCVGCIPBZXLQ-UHFFFAOYSA-N	406.482	3.954	10	20	HHCD	
CCCNC(=O)OC[C@H]1CCCCN1Cc1cc(Br)cc(OC)c1O	809726535	PZUIKTQPJZYHBZ-OAHLLOKOSA-N	415.328	3.654	10	20	HHCD	
O=S(=O)(c1ccc(NCc2cccc(Br)c2O)cc1)N1CCCC1	863987544	RUQCMZVKOZWXIE-UHFFFAOYSA-N	411.321	3.551	10	20	HHCD	
Cc1csc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1	914605329	NJZLZEHBPICIDV-JYRVWZFOSA-N	423.610	3.811	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1	915147336	AOCLMFMBQOLJCC-KDURUIRLSA-N	410.562	3.812	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)Cn2cccn2)c(C)n1-c1ccc(Br)cc1	915263593	ATVKTGAOJNISDD-CYBMUJFWSA-N	401.308	3.872	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1	916503128	STYGSMVYGQHAQQ-UHFFFAOYSA-N	417.575	3.540	10	20	HHCD	
CCN1C[C@@H](CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)Oc2ccccc21	916587714	YXSNJVRIRCAJDG-OAQYLSRUSA-N	408.546	3.716	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(NS(=O)(=O)CC)cc2)cc1	918228491	KOFPIHWXVDIGDY-UHFFFAOYSA-N	404.536	3.616	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)c1C	919935545	CKPHFEWCXKXKAP-UHFFFAOYSA-N	408.590	3.502	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCN2C(=O)COc3ccccc32)c1C	1318208930	VMOUZTDLIJKVKO-UHFFFAOYSA-N	403.482	3.558	10	20	HHCD	
C[C@@H]1CC[C@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H](n2cncn2)C1	1322179604	YKWKEYZVWWDJPJ-YAJHFMINSA-N	405.493	3.868	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](Cc4nccn4C)C3)cc2)CC1	1340572989	KSVCDUKMGKPMIG-OAQYLSRUSA-N	409.578	3.821	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](Cc3nccn3C)C2)cc1F	1340574376	VPYPCOVDHPGTEA-GOSISDBHSA-N	401.530	3.570	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)CC3CC3)cc2)CCC1	1787827557	FLHLKBXTAQWQFS-VZUCSPMQSA-N	422.481	3.751	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)CN)CCC3)cc2)cc1	1790692465	SUBGJQBXKWBFFN-UHFFFAOYSA-N	416.525	3.801	10	20	HHCD	
O=C(Nc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccs1	108807404	ALILXJBJSQYTDX-UHFFFAOYSA-N	421.522	3.767	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)cc1	110707850	ONOKUJIVCZFTND-RUZDIDTESA-N	416.569	3.813	10	20	HHCD	
Cc1ccn(-c2ccc(N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nn2)n1	301469773	OCNBGAZSSVIUAJ-HNNXBMFYSA-N	400.433	3.653	10	20	HHCD	
CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1	116034033	WSFDNWNUYCYOCR-UHFFFAOYSA-N	400.544	3.789	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1	409507604	ASLOCQDJELBAGY-UHFFFAOYSA-N	418.849	3.595	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1	216909221	PLZKFTCTIJIDDX-SMDDNHRTSA-N	423.296	3.938	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(Cn4cncn4)o3)c2C)cc1C	98079217	GALFALNDKSEXAX-UHFFFAOYSA-N	422.514	3.709	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4cccc(O)c4)CC3)ccc21	432516118	RMVWIQXHIKFSOU-UHFFFAOYSA-N	407.514	3.573	10	20	HHCD	
O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)CC3	611744204	MJBQDJGZYOADPX-ZROIWOOFSA-N	418.840	3.878	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[C@@H](C)N(c4ccccc4)C3=O)ccc21	460522763	JOGKKLMATYCNBQ-OPAMFIHVSA-N	419.525	3.828	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)NCCCSc2nccs2)c(OC(C)(C)C)c1	806280470	FIWKHUGYKNSGPL-UHFFFAOYSA-N	421.588	3.544	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1	804941116	NNCJBXUWNBGSHU-UHFFFAOYSA-N	406.401	3.611	10	20	HHCD	
Cc1[nH]c2ccccc2c1C1=CCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1	553505513	XQIIJELGUUIHIX-UHFFFAOYSA-N	422.554	3.950	10	20	HHCD	
Cc1[nH]c2ccc(CNC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2c1C	803324646	WOECMOVQRKTEKV-UHFFFAOYSA-N	420.557	3.904	10	20	HHCD	
CO[C@@H]1CCN2C(=O)N(Cc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)C(=O)[C@H]2C1	804188341	MFQBGVBRGJHZGK-IDHHARJASA-N	405.926	3.518	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1cc(F)c(F)cc1N1CCOCC1	806710015	NHWGYTCJKQLOCQ-UHFFFAOYSA-N	417.456	3.708	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCCCOc3ccccc3)CC2)cc1	807195011	RSGXULRGDLHQTM-UHFFFAOYSA-N	400.544	3.546	10	20	HHCD	
CSCC[C@H](NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)C(=O)N(C)C	807906153	MCWQPHLPFPNFQW-FQEVSTJZSA-N	401.576	3.651	10	20	HHCD	
CC[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1cc(Cl)cc(Cl)c1O	806165454	KMVXNQUQPVGDGQ-MRXNPFEDSA-N	410.301	3.820	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC2(CCO2)CC1	802439022	DGMOILDWQYLJEK-UHFFFAOYSA-N	421.545	3.758	10	20	HHCD	
COc1ccc(CNC(=O)NCCc2c[nH]c3cccc(Br)c23)c(O)c1	812513176	NRIVRSMEYKRMDJ-UHFFFAOYSA-N	418.291	3.687	10	20	HHCD	
CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1cc(Cl)c(F)cc1O	816526797	PEGFEHRVBSKJLT-UHFFFAOYSA-N	408.278	3.874	10	20	HHCD	
CCCOc1ccc(CNC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c(C)c1	571674644	XFRRNMPHFQWPCL-UHFFFAOYSA-N	407.514	3.517	10	20	HHCD	
Cc1cc(C)c([C@@H](C)NCc2ccccc2CS(=O)(=O)N2CCCC2)c(O)c1	815598103	MRCBGZUFENDHGQ-GOSISDBHSA-N	402.560	3.785	10	20	HHCD	
CC(=O)NC1CCC(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	726190975	RWHNIDDFXNXVDJ-UHFFFAOYSA-N	400.567	3.702	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)CC2)cc1	726710374	WSFVHIUFFOOBOW-PKTZIBPZSA-N	409.530	3.884	10	20	HHCD	
CCc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	725875353	FIQDBOIMAOBMFX-FQEVSTJZSA-N	413.493	3.548	10	20	HHCD	
Cc1nccn1-c1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cn1	726102358	KFPMMHKHKYOFTH-UHFFFAOYSA-N	417.469	3.786	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1	734071765	XQIBIJIWWICNMM-UHFFFAOYSA-N	417.937	3.766	10	20	HHCD	
CCOC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	733797119	QCVABIFHPGEZHM-IAGOWNOFSA-N	420.509	3.538	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(-n4cccn4)c3)cc2F)C[C@H](C)O1	735000816	HRJUELWTSDZQHA-IRXDYDNUSA-N	408.477	3.555	10	20	HHCD	
Cc1cc(OCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1C(C)C	917831844	BMWWEUSTCHVBIE-FQEVSTJZSA-N	423.557	3.515	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(Cl)cc1Cl	918437601	KNPPEBWCBAYRBA-UHFFFAOYSA-N	424.353	3.802	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1csc(COc2ccc(Cl)cc2)n1	918714020	XBVQUXCDNKZBRP-OQLLNIDSSA-N	421.931	3.678	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC(F)F	917364954	SYLZAUFJHMIPQY-MRXNPFEDSA-N	407.413	3.824	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2nnc(O)c3ccccc23)cc1	914454793	SFLMDUIYKGCYSR-UHFFFAOYSA-N	416.481	3.766	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1	748448072	QFFYZYLRMPPIJZ-UHFFFAOYSA-N	400.498	3.830	10	20	HHCD	
O=C(NCc1ccccc1O)NCC1(c2cccc(Br)c2)CCOCC1	748461815	OAAYLXQSWSOJOV-UHFFFAOYSA-N	419.319	3.702	10	20	HHCD	
CCc1ccc([C@H](CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)N(C)C)cc1	918057480	ONTZNBMFTFAEIK-DEOSSOPVSA-N	424.589	3.782	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc3cnccc23)c1	744507202	VKSVJDMPTBHADL-UHFFFAOYSA-N	410.477	3.979	10	20	HHCD	
C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1ccc(N2CCOCC2)cc1	741734553	GEFYLRCTAANJEB-MRXNPFEDSA-N	423.473	3.674	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(Oc2ccc(F)cc2F)CC1	917062227	KMBOLVGKSOEILF-UHFFFAOYSA-N	417.500	3.533	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1F	746316095	MWZDVFWCQLEMDL-RXVVDRJESA-N	403.473	3.829	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)c1ccc(N2CCOCC2)cc1	921117771	CKJNRHIYUKQMKB-SFHVURJKSA-N	405.502	3.651	10	20	HHCD	
COCc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C[C@@H]1CCCCO1	752834759	JNYDCIZSCMBYKG-NRFANRHFSA-N	413.566	3.620	10	20	HHCD	
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)ccc21	758162206	IAWROUSLAXWWNW-UHFFFAOYSA-N	415.298	3.799	10	20	HHCD	
CCN(CC)CCN(CCC(F)(F)F)C(=O)NCc1ccc2c(c1)CCCN2C	752904514	GOHOZTOFAAOZTK-UHFFFAOYSA-N	414.516	3.875	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(CN2CCCC2=O)cc1	754537975	BSMQHBOPLFWECT-UHFFFAOYSA-N	424.456	3.837	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(Oc4cccnc4)cc3)CC2)cc1F	753748776	XJZGZCRDJQWXOU-UHFFFAOYSA-N	407.445	3.984	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)cc1F	753842225	XRZMQHRKTWJHIF-UHFFFAOYSA-N	423.872	3.859	10	20	HHCD	
COc1cccc([C@@H](C)N2CCN(C(=O)NCCCSc3nccs3)CC2)c1	759590478	KPRXHRLPOVFTSC-MRXNPFEDSA-N	420.604	3.722	10	20	HHCD	
C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)Cc1ccc(N2CCOCC2)cc1	857759060	YTFBZQNEMCAFRP-WOJBJXKFSA-N	407.558	3.711	10	20	HHCD	
C[C@H](NCC1(NC(=O)OC(C)(C)C)CCC1)c1ccc(N2CCOCC2)c(F)c1	753746287	BTPMPLJLVBAWCE-INIZCTEOSA-N	407.530	3.760	10	20	HHCD	
O=C(Nc1cccc(Cl)c1O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751068362	OUZLLPZOSCNUFP-UHFFFAOYSA-N	424.887	3.866	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1N1CCOCC1	761752709	KFFCBWJLWDGIRB-UHFFFAOYSA-N	419.319	3.654	10	20	HHCD	
COc1ccc2oc(/C=C3/SC(=S)N(c4ccc(C(N)=O)cc4)C3=O)cc2c1	763281345	FFKBXCCQTZJZCG-LICLKQGHSA-N	410.476	3.946	10	20	HHCD	
O=C(NCCc1ccc(Cl)nc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	760813817	JUJOXGKQHBXBDH-HNNXBMFYSA-N	424.879	3.847	10	20	HHCD	
COc1ccccc1[C@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765281153	ODHQKMQRYNOKSH-SFHVURJKSA-N	421.520	3.802	10	20	HHCD	
O=S(=O)(/C=C\c1cccc(Cl)c1)NCc1ccc(N2CCSCC2)cc1	768808269	RRKNGOJIUBNXSD-JYRVWZFOSA-N	408.976	3.984	10	20	HHCD	
O=C(NCc1cccnc1OC1CCCC1)NCc1cccc(Br)c1O	764766197	YKDNIMARCGYTBT-UHFFFAOYSA-N	420.307	3.871	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1	766246757	DVCGICJPMSWDCM-UHFFFAOYSA-N	412.490	3.655	10	20	HHCD	
CC(C)(C)Oc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	768106313	PUOLKJUYTIUBIT-IBGZPJMESA-N	413.518	3.855	10	20	HHCD	
CN1CCN(c2ccc(CNCCc3ccc(Br)cc3)cc2F)CC1	1116086353	HFKRZWVTQAEJFK-UHFFFAOYSA-N	406.343	3.672	10	20	HHCD	
CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(Br)cc(OC)c2O)C1	769008531	ZLOZPJAOSQKESJ-KGLIPLIRSA-N	413.356	3.680	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1csc(-c2ncccc2F)n1	765765262	QPPJGWKGZLSTDA-UHFFFAOYSA-N	408.252	3.742	10	20	HHCD	
C[C@H](NC(=O)N1CCCN(C(=O)CC2CCCC2)CC1)c1ccc(N(C)C)cc1	773623451	IRUWDIQPDGVGEM-SFHVURJKSA-N	400.567	3.638	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(COc2ccccc2)cc1	774252084	QVLGOLIXYKCLID-UHFFFAOYSA-N	417.509	3.895	10	20	HHCD	
COc1cc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1F	773310236	MPSXHOCJGLNWEN-UHFFFAOYSA-N	413.493	3.634	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccccc3F)C3CCCC3)nc12	775538156	HWWOOSQZIPFPOL-FQEVSTJZSA-N	412.465	3.772	10	20	HHCD	
Cc1cc(Br)cc(CN(C)C2CCN(CCc3ccccn3)CC2)c1O	775665756	XZLHCBVMTTVEMU-UHFFFAOYSA-N	418.379	3.997	10	20	HHCD	
C[C@@H](NC(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776238206	LVDPURYYCDEANV-APWZRJJASA-N	404.555	3.855	10	20	HHCD	
C[C@@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1cc(Cl)c(Cl)cc1O	774216292	FERBCEPAXBEYAZ-CYBMUJFWSA-N	416.393	3.976	10	20	HHCD	
CCOCCOCCN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12	787236881	CQNHTSVOJOPVHW-UHFFFAOYSA-N	411.498	3.959	10	20	HHCD	
CO[C@@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1	783561814	CJRBOSRJADHDKK-UMWKZLPKSA-N	424.613	3.757	10	20	HHCD	
CC(C)c1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)n(-c2ncccn2)n1	789250430	DVYGKDMVSHFWKK-UHFFFAOYSA-N	406.490	3.692	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H](CC1CCC1)c1ccccc1	788930473	TUUMFKRSABSHJW-QHCPKHFHSA-N	405.542	3.951	10	20	HHCD	
C[C@H]1[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CCN1C(=O)OC(C)(C)C	786631717	QHHUTAYEAWENMT-JKSUJKDBSA-N	421.501	3.980	10	20	HHCD	
Cc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1-c1nnnn1C1CC1	783791515	WCLJHZPSHHVBPA-UHFFFAOYSA-N	421.574	3.796	10	20	HHCD	
COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OCC2CC2)c1	788151839	PDAJNYYRBWMWBA-UHFFFAOYSA-N	410.514	3.593	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	784107754	BCYLEZNTHZCHMI-UHFFFAOYSA-N	416.865	3.992	10	20	HHCD	
CN(C)c1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c2ccccc2n1	780981471	KQJOXXGRRDBSCM-UHFFFAOYSA-N	406.555	3.784	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	780045314	UGPFLBMJJBAYMQ-UHFFFAOYSA-N	423.847	3.797	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)cc1	785427626	FESXTUFNAKTTEK-LJQANCHMSA-N	403.473	3.551	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	790835505	RSIJPDQSHMWAOC-HOTGVXAUSA-N	403.548	3.668	10	20	HHCD	
COCCCOc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	797017010	MZUXYFOYXKKBSG-SFHVURJKSA-N	402.510	3.928	10	20	HHCD	
CCOc1ccc(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c(O)c1	790602370	UUIXOIAYJZGDOW-UHFFFAOYSA-N	403.422	3.503	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1	790592021	TWXUMLMGXZWHDA-SFQUDFHCSA-N	421.540	3.673	10	20	HHCD	
CCOC(=O)c1ccc(N2CCCN(Cc3ccc(N4CCCC4)cc3)CC2)nc1	1319815016	MYCJODDYZSASIW-UHFFFAOYSA-N	408.546	3.571	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1-c1ccccc1	1320149268	YLGCVIANTBDRIG-KRWDZBQOSA-N	411.479	3.731	10	20	HHCD	
COc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC	5643867	GMRVADQHRXCLTG-UHFFFAOYSA-N	408.454	3.907	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccccc3)[nH]n2)cc1	109702293	UPWNQUAAGAYMOG-NRFANRHFSA-N	404.514	3.964	10	20	HHCD	
O=C1CCCN1C[C@H](NCc1cc2c(cc1O)OCO2)c1cccc(C(F)(F)F)c1	238136390	ARZXCHYNCFNDJQ-INIZCTEOSA-N	422.403	3.593	10	20	HHCD	
Cc1c(CNC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)n(C)c2ccccc12	471231489	ILGUPOAYZVTMRV-UHFFFAOYSA-N	402.498	3.783	10	20	HHCD	
Cc1c(CNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)n(C)c2ccccc12	472225340	YHCOMWJSVGNROA-FQEVSTJZSA-N	410.905	3.523	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC(C)(C)O[C@@]4(CCCOC4)C3)ccc21	482827144	GBXBAZBDDCJFNM-DEOSSOPVSA-N	414.546	3.705	10	20	HHCD	
O=C(O)Cn1c(/C=C/c2cnn(Cc3ccccc3Cl)c2)nc2ccccc2c1=O	675724777	MDUYRTOTVIVYKL-MDZDMXLPSA-N	420.856	3.550	10	20	HHCD	
Fc1cc(CNC/C=C/c2ccccc2)ccc1N1CCN(c2ncccn2)CC1	726607431	VEPCKLLOAKQZBH-XBXARRHUSA-N	403.505	3.745	10	20	HHCD	
CCCCN1CCC(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	726709830	TWKUONWMNFFRSN-UHFFFAOYSA-N	424.536	3.821	10	20	HHCD	
COc1ccc2cc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc2n1	727596022	YVTHEUNHIDFLLJ-UHFFFAOYSA-N	410.449	3.541	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NC3CCCCCC3)ccc21	728637098	HWZYLVNXHBBKLG-UHFFFAOYSA-N	400.519	3.900	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(Cc3cccnc3)C3CC3)cc2F)C[C@@H](C)O1	728745495	ASPYCNJPJAMHRV-IAGOWNOFSA-N	412.509	3.709	10	20	HHCD	
CCOc1ccccc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1	728835597	GUSVKVWMEHNCLQ-UHFFFAOYSA-N	403.482	3.830	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1	728943299	LGUMRYGFXZKREI-LHSJRXKWSA-N	400.475	3.930	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1	729039044	OAIGHNOWVKQFAL-UHFFFAOYSA-N	407.518	3.510	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2Cc2ccccc2)c1	729065235	AIAWQKLSCSJGKP-MRXNPFEDSA-N	404.466	3.808	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc(F)cc3F)cc2F)CC1	730111538	GQXNYISPHJOZJK-HNNXBMFYSA-N	420.479	3.806	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1	734687954	ZHBCHOIZYUINDL-UHFFFAOYSA-N	420.517	3.595	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4ccccc4CC3)cc2F)C[C@@H](C)O1	734942940	TTZGCFPIWFLJKN-HDICACEKSA-N	411.521	3.750	10	20	HHCD	
O=C(NCc1ccc(CO)c(F)c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	737254947	QZBDIAXVVBBQIT-UHFFFAOYSA-N	406.417	3.988	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1O	737278310	IHHPHRJUVBUBEV-UHFFFAOYSA-N	412.392	3.601	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)Oc3ccc(SC)cc3)CC2)cc1	740657939	KSMJWUFZMYNTEA-MRXNPFEDSA-N	400.544	3.970	10	20	HHCD	
CCCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	741080417	JHDORQXJKIRLKQ-YCZSINBZSA-N	415.578	3.819	10	20	HHCD	
Cc1ccn2cc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nc2c1	742801046	XBECCFOHQBUNCB-HNNXBMFYSA-N	400.429	3.643	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccn(Cc2ccccn2)n1	743171295	KNTNGBFAEYNXDR-UHFFFAOYSA-N	404.518	3.981	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)ccc1F	747856245	GYFYMMZMHKAEAZ-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	748486365	QPAXINMKCZQFQM-UHFFFAOYSA-N	406.282	3.685	10	20	HHCD	
O[C@H](COCc1ccco1)CN(Cc1cccs1)c1ccc2c(c1)OCCO2	749167628	VCKUNCBVZHMVCI-KRWDZBQOSA-N	401.484	3.697	10	20	HHCD	
CC(=O)N1CCCc2cc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc21	749338080	PEBMQLJOWJPMKM-KRWDZBQOSA-N	422.529	3.705	10	20	HHCD	
C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc(Br)ccc1O	756601686	ABJSNTBHMUJDQL-KNBMTAEXSA-N	419.363	3.688	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	758839538	JHEBXHMCAXXTFK-UKILVPOCSA-N	423.532	3.775	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@H]3CCc4ccccc4C3)CC2)cc(OC)c1OC	759239630	NTDSHHLRCPUTPN-SFHVURJKSA-N	424.541	3.556	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc([C@H]2CCCO2)s1	760397896	MYAUQFJFGKSTTO-CZUORRHYSA-N	423.485	3.995	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCSCc1ccccc1F	760951231	RRKRAZDZNNUDSC-UHFFFAOYSA-N	408.882	3.882	10	20	HHCD	
CCCn1c(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)nc2ccccc21	761220045	SLYZCVLAGOWEGG-UHFFFAOYSA-N	424.545	3.794	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)O)c(F)c(Cl)c1F	762000302	NUIQWOLJALSNEM-UHFFFAOYSA-N	421.805	3.610	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1OCC(F)F	762219492	FIUWANOMKKDXAK-UHFFFAOYSA-N	405.445	3.831	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	763399541	XRNQCBZBGIZLLU-LJQANCHMSA-N	401.551	3.748	10	20	HHCD	
CN1CCN(c2ccccc2NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	763501980	KEUIKLIMFCKZLA-UHFFFAOYSA-N	409.534	3.949	10	20	HHCD	
CC(C)(C)OC(=O)CCCCCNC(=O)NCc1cccc(Br)c1O	764792572	WCPICLZWSQYCMD-UHFFFAOYSA-N	415.328	3.856	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1	765328498	GAHREHTYDQCNIO-CVEARBPZSA-N	424.513	3.931	10	20	HHCD	
O=C(N[C@@H]1CCOC2(CCOCC2)C1)N(Cc1ccccc1O)C1CCCCC1	769206654	OQFSRYQDHKPKPU-LJQANCHMSA-N	402.535	3.965	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccnc1Br	770274789	IBXQFFDMDBEYIF-UHFFFAOYSA-N	407.337	3.719	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1COC2(CCCCCC2)O1	776896097	KMSQXMSRRBSHQH-FQEVSTJZSA-N	419.591	3.505	10	20	HHCD	
CCOC(=O)c1cnc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1C	777983311	RBMUBAUMQKBHLR-CQSZACIVSA-N	406.433	3.644	10	20	HHCD	
Cc1cnccc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	779341514	BFSZWMUCLSERHM-YBEGLDIGSA-N	417.581	3.749	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)C2CC2)cc1	780324517	FVOVULRWCOHKPA-RDPSFJRHSA-N	413.562	3.891	10	20	HHCD	
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1	782261469	LYGAGUYRQSSCPN-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
COc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1F	782896170	LEKBWESDGXXNTL-UHFFFAOYSA-N	400.450	3.840	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC[C@@H]1c1ncc[nH]1	783674574	XELIRHGDDBYPFA-GFCCVEGCSA-N	401.102	3.977	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc2cc[nH]c12	785191446	ASGOJSJAWHDYEW-UHFFFAOYSA-N	416.275	3.623	10	20	HHCD	
CCCn1c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc2ccccc21	786806724	PHSINTHKQCDMIN-HXUWFJFHSA-N	418.541	3.683	10	20	HHCD	
O=C(NC[C@H]1CCCN(c2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	789314372	IWDCTQZSJHXVHE-NFBKMPQASA-N	423.557	3.999	10	20	HHCD	
CCOC(=O)c1cncnc1CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	794426111	MIHAGBLWGJOPNG-KRWDZBQOSA-N	424.526	3.988	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(C(=O)N3CCOCC3)cc2)c(C(F)(F)F)c1	794950663	WGJMTEBYIAJALV-UHFFFAOYSA-N	407.436	3.856	10	20	HHCD	
O=C(N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1cc(O)cs1	796250713	JCVQPPXJBOCLRJ-LLVKDONJSA-N	410.211	3.698	10	20	HHCD	
Fc1cc(CNCc2ccncc2OCc2ccccc2)ccc1N1CCOCC1	796451010	RAGHZOAEYATRGK-UHFFFAOYSA-N	407.489	3.926	10	20	HHCD	
O=[N+]([O-])c1cnc(Sc2nnc(CN3CCCCC3)n2-c2ccccc2)s1	799927716	GZLLKJRCEPOUPD-UHFFFAOYSA-N	402.505	3.769	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cn1	800933377	PBYRYNLJGYWKGO-UHFFFAOYSA-N	414.512	3.507	10	20	HHCD	
CSCc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	804968652	HTIFLMTYXDYWPE-UHFFFAOYSA-N	403.523	3.525	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)NC1CCC2(CC1)NC(=O)NC2=O	806101509	IDXFBNYLZNOPMD-UHFFFAOYSA-N	406.446	3.744	10	20	HHCD	
Cc1cccc([C@H](C)CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	807469217	FRADUECYGDNXAQ-GOSISDBHSA-N	406.482	3.742	10	20	HHCD	
Cc1nc(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)co1	809507497	FSZYZNHQVUYMJP-MDWZMJQESA-N	418.525	3.929	10	20	HHCD	
O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	809709827	SIOMBEVMMUJVPN-RBBKRZOGSA-N	401.551	3.547	10	20	HHCD	
C[C@H](NC[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1Cl	810245442	BWTCSAAUUDVZQB-HYVJGQCMSA-N	400.950	3.993	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)cc1	838642988	WVBYJPZCFLFDNH-KDURUIRLSA-N	404.599	3.562	10	20	HHCD	
CCOc1ccc(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	917707999	AUTQYCKLVTZYPI-IRXDYDNUSA-N	400.494	3.697	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3cc4c(cc3Cl)NC(=O)C4)c2)CC1	1319671495	RDUUSHOZGUXTBA-UHFFFAOYSA-N	412.921	3.617	10	20	HHCD	
Cc1cc(CCNC(=O)NCCC(=O)N2CCC[C@@H](C)C2)c(C)n1-c1ccccc1	1340407201	ZUXOOWXQMQUILI-GOSISDBHSA-N	410.562	3.584	10	20	HHCD	
C/C(=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1351550321	YQIYLDZTYSMJGP-JKGAWAGISA-N	422.573	3.820	10	20	HHCD	
CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)CC2	1814219722	MJIFSTSCEMCFKF-KRWDZBQOSA-N	408.527	3.796	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCn2c(=S)[nH]c3ccccc3c2=O)cc1	9932558	HAOPAJUGXJBWSQ-UHFFFAOYSA-N	424.570	3.954	10	20	HHCD	
Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n(C)n1	21729779	GXMOORITCYJTQH-QGZVFWFLSA-N	411.531	3.502	10	20	HHCD	
COc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	98071458	HAEATAXBXNBOTP-HSZRJFAPSA-N	424.541	3.714	10	20	HHCD	
c1ccc(CN2CCC(OCCCNCc3ccc(N4CCOCC4)cc3)CC2)cc1	236719826	UPOQLKQRCFFRDV-UHFFFAOYSA-N	423.601	3.684	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1F	303310123	FKFLCWHUBAASGO-HXUWFJFHSA-N	411.521	3.841	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1ccc(F)c(Cl)c1	725875702	IHNLMUHSYSQDST-UHFFFAOYSA-N	409.864	3.579	10	20	HHCD	
C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1c(Cl)cccc1Cl	726195919	CXMHKVFVWXRNQZ-JTQLQIEISA-N	417.314	3.604	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Cn2cccn2)o1	726567844	QSEPENXOBAGTRD-UHFFFAOYSA-N	416.428	3.525	10	20	HHCD	
COc1cccc(S(=O)(=O)CCN(C)Cc2ccc(N3CCCCC3)cc2)c1	726692566	ZRPBHKQCAYBJGM-UHFFFAOYSA-N	402.560	3.591	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3cc(=O)n4cccc(C)c4n3)ccc21	728637447	LLNVHHXOZYPCKB-UHFFFAOYSA-N	419.481	3.578	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cc(OC)c(OCC)c(OC)c1	731282354	NXLFBPUZTBMKCN-UHFFFAOYSA-N	402.491	3.930	10	20	HHCD	
C[C@@H](NC(=O)[C@H](c1cccc(Cl)c1)N(C)C)c1ccc(N2CCOCC2)cc1	732277509	NXSUFEKEVXIQAY-IERDGZPVSA-N	401.938	3.657	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)c1	734067239	MBZLAMIYISHJKS-UHFFFAOYSA-N	412.486	3.831	10	20	HHCD	
CS(=O)(=O)Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	734160548	XJKBUCZOVRJRLV-UHFFFAOYSA-N	403.504	3.742	10	20	HHCD	
Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	734236024	RCJVFZQEJWQRFL-UHFFFAOYSA-N	421.476	3.767	10	20	HHCD	
CN(c1ccc(CNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1)C1CCCCC1	742415986	HJQHOZDZVXPQBR-UHFFFAOYSA-N	408.546	3.950	10	20	HHCD	
C[C@H]1CCCCN1CCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745334695	XULFVSLWPQBZOX-ROUUACIJSA-N	424.536	3.821	10	20	HHCD	
CC[C@@H](C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1CCCC1=O	745695007	ALNDYJOCNYYKML-IBGZPJMESA-N	408.458	3.985	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(CC(F)F)c1	746032239	POIFAIGESWQFLX-UHFFFAOYSA-N	403.227	3.670	10	20	HHCD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C	752600915	NYHXMZCSGWWPSP-UHFFFAOYSA-N	418.453	3.831	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3c(C)nc4ccccc4c3C)CC2)cc1F	753732617	VKTSCECCTMXBBG-UHFFFAOYSA-N	407.489	3.891	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3csc(-c4ccc(O)cc4)n3)CC2)cc1F	753739083	PVSPABHZLZYXFM-UHFFFAOYSA-N	413.474	3.626	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ncc(-c4ccccc4)o3)CC2)cc1F	753858181	UTLGFIOZOMVYSP-UHFFFAOYSA-N	410.449	3.521	10	20	HHCD	
CCOc1cccc([C@@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	753883584	FXQJEFRZPPVWNI-MRXNPFEDSA-N	401.482	3.826	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)Cc2cc[nH]n2)c(C)n1-c1ccc(OC(F)F)cc1	753891394	OJQAQVMWPBPOEB-AWEZNQCLSA-N	417.412	3.776	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccc(-n4cccn4)cc3)CC2)cc1F	753919538	VFLXMQOIYDUUKJ-KRWDZBQOSA-N	423.492	3.613	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1Br	755019706	LTMOKAQGDUXROH-UHFFFAOYSA-N	404.669	3.812	10	20	HHCD	
COc1ccc(CNc2nnc(SCC(=O)c3ccc(O)c(O)c3)s2)cc1	755918082	PFVPUPHBRQWNFR-UHFFFAOYSA-N	403.485	3.545	10	20	HHCD	
COCCN(Cc1cc(Br)cs1)Cc1cc(OC)c(OC)cc1O	756140233	VXGKCEXDEQOCCS-UHFFFAOYSA-N	416.337	3.882	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccccc1Br)c1cc(F)cc(F)c1O	756761127	RJTJEVCDGUZXOT-JQWIXIFHSA-N	402.235	3.523	10	20	HHCD	
C[C@H](NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccc(F)cc1O	756776795	RLIBTZFDPABCEN-AWEZNQCLSA-N	410.486	3.564	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)ccc1[N+](=O)[O-]	759160317	SURLKIJZXLBNFE-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)ccc1[N+](=O)[O-]	759162063	VXJYAIFUIKOHRG-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
COc1cc(N2CCN(Cc3c[nH]nc3-c3ccc(C)cc3)CC2)cc(OC)c1OC	761220199	WECDMRKTEBKUQY-UHFFFAOYSA-N	422.529	3.733	10	20	HHCD	
Cc1ccc(N2CCC[C@H](N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)C2)cc1	761567732	CTFTWGUCPGKDCQ-IBGZPJMESA-N	413.905	3.787	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccccc3OCC(F)F)CC2)cc1F	762221842	YYYHUHIXJYPBAQ-UHFFFAOYSA-N	409.408	3.832	10	20	HHCD	
C/C=C(/C=C/C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)CC	767660799	OOYWCAGZTUQIPF-QAIXCEPISA-N	418.509	3.511	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cnc1Cl	767669925	DEIGFVRIBNZQIC-UHFFFAOYSA-N	416.937	3.741	10	20	HHCD	
O=C(NC1CCCCC1)NC1CCN(Cc2cc(Br)ccc2O)CC1	769105696	FMDVWVOQQUGVFD-UHFFFAOYSA-N	410.356	3.751	10	20	HHCD	
CCOc1cccc(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1O	769203763	PZRGAMOKCUNIQR-MRXNPFEDSA-N	401.482	3.964	10	20	HHCD	
CSc1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccn1	771941781	UHQOPORHVSNLFU-GASCZTMLSA-N	418.538	3.556	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1nc(-c2cccc(C(F)(F)F)c2)no1	772776244	PCZKXHQQMCDGPR-ALCCZGGFSA-N	406.316	3.923	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1OCC(F)(F)F	773846350	JYZXWGIOSVLYRA-CQSZACIVSA-N	423.435	3.818	10	20	HHCD	
C[C@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(N(C)C)cc1	775405206	RVAYQWAGYZHOGX-IBGZPJMESA-N	423.557	3.638	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](C3CCCC3)C(F)(F)F)CC2)cc1F	775774287	JGKFSPZBEKCCQG-QGZVFWFLSA-N	403.420	3.787	10	20	HHCD	
COCCOc1cc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1OC	776842481	XKKTXZMKHILOCS-MRXNPFEDSA-N	404.482	3.869	10	20	HHCD	
Fc1cc(CNc2nnc(CCCc3cccs3)o2)ccc1N1CCOCC1	777518352	KYLHCDUJZHGJLL-UHFFFAOYSA-N	402.495	3.894	10	20	HHCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCO1	778750173	UWMKYGJCQIYFKA-SIKLNZKXSA-N	403.567	3.901	10	20	HHCD	
Cn1nc(Br)cc1/C=C1\SC(=S)N(Cc2cccs2)C1=O	779202435	BCLGMDJQYOXASR-YHYXMXQVSA-N	400.348	3.646	10	20	HHCD	
CC(C)(C)OC(=O)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	779432527	UGXAUUUBUNHVFK-NRFANRHFSA-N	400.494	3.835	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c(O)c1O	780881847	VCFXYORHEKZFEQ-OAHLLOKOSA-N	409.269	3.956	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3cc(C)c(Cl)s3)CC2)cc1	788885537	GXVXUBZLGUQFQT-UHFFFAOYSA-N	400.953	3.666	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@@H]1CCSC1	791111178	DWTUYDWELHRLFA-IGVUGNCQSA-N	412.627	3.599	10	20	HHCD	
CN(C)c1ccc(CN2CCC(C(=O)NCC(F)(F)F)CC2)c(C(F)(F)F)c1	792792996	BDYREABHTVHKOO-UHFFFAOYSA-N	411.390	3.662	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CC[C@]2(C)CCC(=O)N2)cc1	793481144	ZIVHDFGZIHLHTK-DEOSSOPVSA-N	409.530	3.743	10	20	HHCD	
CCCN1CCN(c2ccc(NC(=O)c3ccc(C)c(O)c3O)c(OCC)c2)CC1	797757080	QHPKCORNJNFMTC-UHFFFAOYSA-N	413.518	3.589	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1(c2cncc(Br)c2)CC1	798981131	JVSGETRWCCMPBF-UHFFFAOYSA-N	401.304	3.777	10	20	HHCD	
COCCn1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1	800533599	FCHNXLHERJYDNL-HNNXBMFYSA-N	405.930	3.741	10	20	HHCD	
CCCc1nnc(S)n1CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800570233	IOINJIWATFOFFK-AWEZNQCLSA-N	421.998	3.725	10	20	HHCD	
COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)[C@@H]1C	800719646	MNYUXJJLOYTERG-BFYDXBDKSA-N	407.942	3.669	10	20	HHCD	
CC(C)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1Cc1cccs1	802696587	NLXRHYWIXJASBX-UHFFFAOYSA-N	411.575	3.984	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCc2c(C)[nH]c3ccccc23)cc1	804140343	FRVSXIROQXTUCM-UHFFFAOYSA-N	420.557	3.640	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nccn1-c1ccccc1	804970366	WUVWXWMSJWMRAN-GOSISDBHSA-N	421.570	3.986	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccc(CSC)cc3)CC2)cc1F	805841134	HDRGRHQWWGBULS-UHFFFAOYSA-N	403.523	3.729	10	20	HHCD	
Cc1nc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1	808528302	WWOBFYFNWKUYSW-UHFFFAOYSA-N	409.876	3.696	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1COc2ccccc2[C@@H]1O	808975445	XKKWQXHJLJPCJA-FPOVZHCZSA-N	416.437	3.651	10	20	HHCD	
COCCOCc1ccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1	809145202	ZBQCNYRLPPJXNU-LDADJPATSA-N	422.616	3.639	10	20	HHCD	
C[C@@H](NC(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1	810207465	JQDUIPWHYOBMKD-MJGOQNOKSA-N	413.949	3.880	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)ccc1O	811704045	RJGMODKHRCRGRH-UHFFFAOYSA-N	409.891	3.900	10	20	HHCD	
COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccccc1O	812083383	SXMWOLIKDHXWIU-UHFFFAOYSA-N	402.882	3.596	10	20	HHCD	
Cc1cc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)c(C)n1-c1cccc(C(C)C)c1	819600721	KHKIKBJXBQCVDK-UHFFFAOYSA-N	420.561	3.778	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	914614321	ZLWHUVUQGXBDER-UHFFFAOYSA-N	408.414	3.501	10	20	HHCD	
O=C(NCc1ccc(Cn2cccn2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	916222994	TUKKADPETCNTQF-JOCHJYFZSA-N	420.513	3.528	10	20	HHCD	
CCc1nc2ccc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2nc1CC	917707433	GAFKEVBCUXADMM-UHFFFAOYSA-N	422.504	3.660	10	20	HHCD	
O=C(CCOc1ccc2ccccc2c1)NCc1ccc(N2CCOCC2)c(F)c1	917709271	RZWYMTZGWLKZCF-UHFFFAOYSA-N	408.473	3.901	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	917918637	RFBNLNQOOUZPTJ-IRXDYDNUSA-N	406.523	3.535	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)cc1F	918304726	WCFPOEJTAHOCNY-UHFFFAOYSA-N	422.298	3.641	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCCN2CCC[C@@H]2C1	1203566872	AZAJDSIMIXPLMW-CYBMUJFWSA-N	404.146	3.587	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccn4)C3=O)cc2)cn1	1321075388	VMQKRYDTNGMGIJ-UNOMPAQXSA-N	406.536	3.926	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C)C2)sc(C)c1-c1ccc(C)cc1	1321605370	MEJIJIGDGNJSII-OAHLLOKOSA-N	400.500	3.625	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCCc3nnc(-c4ccccc4)o3)CC2)cc1	108427632	NBAPYUUUJDROQZ-UHFFFAOYSA-N	420.513	3.807	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC(c3nncn3C)CC2)cc1)C1CCCCC1	195719392	XLEZHYWRPRLHIQ-UHFFFAOYSA-N	410.566	3.673	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[C@H](CC)CN1C(C)=O	471436481	NMHRLWZAWCKLEJ-NHCUHLMSSA-N	413.562	3.766	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(CN4CC[C@@H](O)C4)c3)ccc21	552518175	VWOOTTLSJQZPMS-JOCHJYFZSA-N	421.541	3.723	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)cc1	725857227	BANVHBVVUAVMTR-UHFFFAOYSA-N	404.555	3.779	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nncn4c3)c2C)cc1F	725931149	SFGGEUXIFBINDT-UHFFFAOYSA-N	406.417	3.624	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(-c4ccccc4F)c3C)CC2)cc1	726562711	UUAZNJVKXAFQTM-UHFFFAOYSA-N	408.477	3.727	10	20	HHCD	
O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc(Cl)nc1	727178358	VZPSZOGSBUZMQG-LFIBNONCSA-N	417.943	3.977	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3c[nH]c4cccc(C)c34)cc2F)CC1	730195013	XKUKTHGYPXRHEV-UHFFFAOYSA-N	408.521	3.616	10	20	HHCD	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	731852122	LJXKJLMEFQQQHS-MRXNPFEDSA-N	404.854	3.740	10	20	HHCD	
Cc1cc(C(=O)NCc2nncn2C(C)C)c(C)n1-c1ccccc1Br	732763907	OEBOREHPEXAHJK-UHFFFAOYSA-N	416.323	3.959	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(-n3cccc3)c2)cc1	737117073	IBXHQUIXIXDGHV-UHFFFAOYSA-N	404.514	3.921	10	20	HHCD	
O=C(NCCCCCN1CCCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	739039979	UJWLNFLEKVXQLU-OAQYLSRUSA-N	403.567	3.739	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)cc1	742554246	WDIBIUPBEKTDIY-UHFFFAOYSA-N	402.564	3.833	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cncn1-c1ccccc1	742799545	YZTMRAURKPYPMV-INIZCTEOSA-N	412.440	3.873	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c1O	743333380	PENZBRAQBVACDT-UHFFFAOYSA-N	405.882	3.904	10	20	HHCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(N2CCOCC2)cc1	743564491	MLLZVBCWRIKXTG-KRWDZBQOSA-N	409.530	3.668	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCc1cccc(OC)c1	743870944	IOGJPALEZSJILN-CQSZACIVSA-N	421.335	3.690	10	20	HHCD	
CCCC(=O)Nc1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1C	743955366	IWCZUWGQKNKRBX-UHFFFAOYSA-N	423.513	3.573	10	20	HHCD	
Cc1csc(-c2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cc2)n1	743958388	USZQUDOMURZBPE-UHFFFAOYSA-N	421.522	3.958	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c(C)n1-c1ccc(F)cc1	746295157	YAHPZXQKZFQFEZ-QGZVFWFLSA-N	411.399	3.516	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)OCCO2	746719192	WCNVBCOZBOEHQR-OAQYLSRUSA-N	401.482	3.859	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3CCN(C4CCN(C)CC4)C3)c2C)c1	749389912	HZOBDOYXTAMASS-OAQYLSRUSA-N	408.590	3.609	10	20	HHCD	
COc1cc(C)c(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cc1OC	751290900	JZRJBEUAWINQPU-WOJGMQOQSA-N	400.525	3.851	10	20	HHCD	
CC(=O)N(CCC(=O)Nc1c(-c2ccccn2)nc2ccccn12)Cc1ccccc1	751308478	YHRWAKKVJZCGCK-UHFFFAOYSA-N	413.481	3.774	10	20	HHCD	
C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751931188	OMWGAAAGUZPPJE-HNNXBMFYSA-N	409.511	3.693	10	20	HHCD	
COc1cc(OC)cc(OCCCN(C)C(=O)NCc2ccc(N(C)C)cc2C)c1	753934036	YKTHBJUZYADYND-UHFFFAOYSA-N	415.534	3.689	10	20	HHCD	
CCNC(=O)C(C)(C)CN[C@H](C)c1cc(Br)cc(Br)c1O	756858186	RKBZBUTUMPVNNL-SECBINFHSA-N	422.161	3.730	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](C)[S@](=O)CC2)c(C)n1-c1cccc(Br)c1	760645056	QRORKRNUFUMDAW-DLUDVSRJSA-N	423.376	3.840	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1	764239706	CQEUKACVEPYDRT-MRXNPFEDSA-N	419.547	3.913	10	20	HHCD	
Cc1c(Br)cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(=O)n1C	764761612	BSQFNQPJJHNQPK-UHFFFAOYSA-N	420.351	3.573	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cnc(-c4ccccc4)nc3C)CC2)cc1	764956632	SVSQFXLCNNVBRG-UHFFFAOYSA-N	402.498	3.813	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@@H](C)c3cnn(-c4ccccc4)c3C)CC2)cc1	765403888	WTPBMWKDUGQVOZ-FQEVSTJZSA-N	419.573	3.662	10	20	HHCD	
O=S(=O)(c1ccccc1)N1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1	769059555	GVSAUVWNLLXFBM-UHFFFAOYSA-N	415.342	3.596	10	20	HHCD	
COc1ccc(SCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	771056778	GTPLMRVBNLDMOU-KRWDZBQOSA-N	420.962	3.927	10	20	HHCD	
C[C@H](NC(=O)N1CC(OCCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	771421014	JMUSYXDIQPEHCJ-FQEVSTJZSA-N	423.557	3.627	10	20	HHCD	
Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1	773021011	QMQUFTHEEZHREE-CYBMUJFWSA-N	412.515	3.783	10	20	HHCD	
CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1Cl	773082822	AYAYNTUGJMSLEB-LLVKDONJSA-N	413.902	3.543	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c1O	775008220	UQSIUXAUQIOJLH-UHFFFAOYSA-N	423.416	3.669	10	20	HHCD	
COC(=O)c1ccc(-c2ccc(CNCc3ccc(N4CCOCC4)c(F)c3)o2)cc1	775950138	FRJVJVDYGGXBLH-UHFFFAOYSA-N	424.472	3.999	10	20	HHCD	
COc1cc(Cl)cc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1O	775983482	NRFZWCPOBFFJJG-CQSZACIVSA-N	414.811	3.968	10	20	HHCD	
C[C@@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3)c1ccc(N(C)C)cc1	776270163	RILIDOVZZLNEOW-CYBMUJFWSA-N	410.543	3.762	10	20	HHCD	
O=C(O)c1ccoc1CSc1ccccc1C(=O)N1CCS[C@H]2COCC[C@H]21	776687787	YFENEFZDSBVHPF-QAPCUYQASA-N	419.524	3.617	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)Sc1ccc(OC)cc1	777826674	QIRXSIGJVMJFRO-CYBMUJFWSA-N	423.918	3.737	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCN(Cc2ccccc2)C1	778799106	DOPXHTVJVHNSRA-XXBNENTESA-N	406.574	3.779	10	20	HHCD	
COc1cc(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])cc1OC	782364163	HCUMOBGRJOFZBG-KBPBESRZSA-N	407.467	3.590	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1O	787444039	GCWDXLWJACBJNX-UHFFFAOYSA-N	408.410	3.818	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1nnc(-c2ccc(Cl)cc2F)s1	791899700	KAIQKLYGNFELIB-UHFFFAOYSA-N	408.842	3.773	10	20	HHCD	
CC[C@H](C)n1ncc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C	792206291	JRBMYHOEDIINSQ-KRWDZBQOSA-N	411.550	3.750	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C	795397630	XKXJRYFEAUPEKC-HXUWFJFHSA-N	419.566	3.516	10	20	HHCD	
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1	795608535	UEYUUWMOZJDFBT-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
Cc1ccc(NCc2cc(Br)ccc2O)cc1S(=O)(=O)NC1CC1	796429069	MULDEPYHONJKIW-UHFFFAOYSA-N	411.321	3.516	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cc(Br)cs2)SC1=S	799201368	ZVPMTVAUEDLAOD-UXBLZVDNSA-N	406.348	3.665	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(C)(C)NC(=O)C(F)(F)F)cc2Cl)C1	800050165	OTFPBNROOYVNGA-GFCCVEGCSA-N	419.875	3.650	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1	801548400	VDBOWMPHABMMHC-HXUWFJFHSA-N	410.514	3.578	10	20	HHCD	
CN(CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)Cc1ccc(N2CCOCC2)cc1	801910750	AOQYSLIKYFEPCF-FQEVSTJZSA-N	417.594	3.992	10	20	HHCD	
Cc1noc(C)c1[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803677141	GUZBYXHHMGBWPJ-HNNXBMFYSA-N	412.534	3.554	10	20	HHCD	
O=C(N[C@H]1CCCOc2ccccc21)C(=O)N(Cc1ccco1)Cc1ccccc1O	804064053	CBYCCAXAJSJKLR-FQEVSTJZSA-N	420.465	3.544	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)c1C	804121493	JRJSDSPJVGPQBE-HXUWFJFHSA-N	416.481	3.916	10	20	HHCD	
CC[C@@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)cc(Cl)c1O	806137573	PXOQCMRLXHRUHU-OXQOHEQNSA-N	422.312	3.995	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)ccc21	806634722	KOTYYFWHUPWSIZ-AKFKNWHVSA-N	405.542	3.783	10	20	HHCD	
COCCOc1cc(OC)ccc1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837369	NFAVCZRXLRUTNZ-UHFFFAOYSA-N	400.258	3.663	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(Cl)cc1F	808115731	QJPOXSPOXSXVGT-UHFFFAOYSA-N	412.197	3.565	10	20	HHCD	
COc1cc(N(C)Cc2nc3ccccn3c2Br)cc(OC)c1OC	809635551	IUKPUGRCCGHLKJ-UHFFFAOYSA-N	406.280	3.759	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(-c4ccc5ccccc5n4)n3C)CC2)cc1	809871177	FONOKVXZPYSPLQ-UHFFFAOYSA-N	414.513	3.756	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cnnc(-c4ccccc4)c3)cc2F)C[C@@H](C)O1	810167818	PSMOHEUWJRUZIQ-IAGOWNOFSA-N	420.488	3.826	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCSC2)NC(=O)OC(C)(C)C)cc1	810447364	NKEQZEFFBGMGHX-FUHWJXTLSA-N	407.580	3.578	10	20	HHCD	
CCCCN(C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@H]1CCS(=O)(=O)C1	832927176	QJYCPRBXPQQNQJ-IBGZPJMESA-N	418.559	3.532	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1Cc1ccccc1	917386373	NIXAHWHLGJFDJM-UHFFFAOYSA-N	406.555	3.723	10	20	HHCD	
CC(C)c1ccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	918183222	IYNYVDNAZBIYOS-UHFFFAOYSA-N	413.537	3.952	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccc2c(c1)OC(F)(F)O2	920072615	BIQYXHOVWIGVPO-UHFFFAOYSA-N	421.469	3.674	10	20	HHCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(N2CCN(C)CC2)c(F)c1	1115862549	WKWQAAVZKJKIHF-ATVHPVEESA-N	424.545	3.910	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3cc(C)oc3C)cc2F)CC1	1318369000	NGRUNJMULKUMCA-INIZCTEOSA-N	402.514	3.738	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCc2nc3cccnc3[nH]2)cc1	1318452690	ZFVCCDGHNOLASS-UHFFFAOYSA-N	403.486	3.779	10	20	HHCD	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1	5879823	STMXYSIPULROQB-MOSHPQCFSA-N	418.424	3.875	10	20	HHCD	
CN(CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCCCC1	195642159	JWWLXFZROZKNBP-NRFANRHFSA-N	403.567	3.737	10	20	HHCD	
O=C(c1nn(-c2ccccc2)c2c1CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1	217640237	VJMQUBMXQBZVDH-HXUWFJFHSA-N	417.509	3.888	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3ccc4nc(O)[nH]c4c3)ccc21	590702400	TVAAWCWLTJMIFI-CQSZACIVSA-N	406.486	3.977	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(CCc3ccccn3)C1=O)O[C@H](C)C2	726196762	AXSDRMBZXPJKCR-CQLSMYGBSA-N	412.536	3.858	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H](Cc3ccccc3)C2)c1	729985328	LGMZJVNCSNCJPU-QFIPXVFZSA-N	422.569	3.882	10	20	HHCD	
CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)Cc1ccccc1O	730589365	DMNSYMQDZDCQMZ-OAHLLOKOSA-N	407.557	3.715	10	20	HHCD	
CCCCN1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	731283745	PUOKEEZIJQJBGE-NHCUHLMSSA-N	403.567	3.737	10	20	HHCD	
Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3cc(O)cs3)cc2)c1	732275838	CLJGNRRVIQTLKK-UHFFFAOYSA-N	410.495	3.752	10	20	HHCD	
CCN(C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H](C)CS(C)(=O)=O	732948607	KUBOWJRQXWRCRW-HNNXBMFYSA-N	410.967	3.572	10	20	HHCD	
CC(=O)c1cccc(OCCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	735518655	YTVVWUICRWYJQA-JOCHJYFZSA-N	411.498	3.962	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	736175783	WCTGAZSZIXQQCM-OAHLLOKOSA-N	411.487	3.785	10	20	HHCD	
COCCOCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1F	741900427	LZPLJXHYFIABIC-UHFFFAOYSA-N	400.494	3.860	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)n1	743047199	XVFTYQXGZUTRIY-UHFFFAOYSA-N	417.512	3.602	10	20	HHCD	
CN(Cc1ccccc1F)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748032666	FZGWJQFLNQMVKQ-UHFFFAOYSA-N	420.487	3.666	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	750853709	GVQNCJOYXLHUND-NTKDMRAZSA-N	419.569	3.903	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)cc1	753828502	FELKATYXRHIJBP-UHFFFAOYSA-N	424.950	3.794	10	20	HHCD	
CC(C)CCn1ncc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C(C)C	753841915	QDOBHYDIBYBWQV-KRWDZBQOSA-N	413.566	3.935	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)Nc3c(C)cc(C)cc3Cl)CC2)cc1F	753858535	WEISAXUFBBEEOB-UHFFFAOYSA-N	405.901	3.865	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1F	753911755	PRKQICFJXSFEHD-HNNXBMFYSA-N	416.453	3.644	10	20	HHCD	
C[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)c(F)cc1O	756471569	UXMSFAGSFUFHOV-SNVBAGLBSA-N	417.300	3.516	10	20	HHCD	
C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCN(c2ccccc2O)CC1	759720049	VQXTTZOUKBLBDP-CQSZACIVSA-N	405.589	3.976	10	20	HHCD	
C[C@H](c1ccccc1)n1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	760075367	CEEHGIFEOOATEQ-QGZVFWFLSA-N	423.492	3.790	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnc([C@@H]2CCCO2)s1	760741002	BEUPECAXUGNIQX-RDJZCZTQSA-N	421.950	3.748	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c(Br)c1O	761015551	NEXPGXOQJPQSDM-GHXNOFRVSA-N	423.313	3.964	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2C[C@@H](O)C[C@H]2C)sc(C)c1-c1ccccc1	761105526	OEDGLFNAFHGREM-PBHICJAKSA-N	416.543	3.684	10	20	HHCD	
Cc1cc(C)n(-c2ccccc2CNC(=O)NCCCSc2nccs2)n1	761770361	ITMKDKHGGVRKFO-UHFFFAOYSA-N	401.561	3.927	10	20	HHCD	
CSC[C@@H](CCO)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	761916753	ROBLDEPXTQYJQH-OAHLLOKOSA-N	411.365	3.700	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCOc2ncc(Cl)cc2Cl)c1	762056966	PUSJBXPWOPDKBN-JTQLQIEISA-N	400.262	3.542	10	20	HHCD	
COc1ccc(N2CCC(NCc3cccc(C(=O)NCc4ccco4)c3)CC2)cc1	765127868	XUSWMPNUNXKEDL-UHFFFAOYSA-N	419.525	3.977	10	20	HHCD	
COc1cc(O)c(CN2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1OC	768440685	BFPFBBWUQKKPOK-HNNXBMFYSA-N	413.543	3.898	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)/C=C/c3cccc(Cl)c3)CC2)cc1	768838588	INTPWVOROMCWDP-SDNWHVSQSA-N	406.935	3.908	10	20	HHCD	
Cc1cc(CC(=O)NCCC(=O)NCc2ccccn2)c(C)n1-c1ccc(Cl)cc1	773967188	QAOVYAVPEJCXLV-UHFFFAOYSA-N	424.932	3.508	10	20	HHCD	
O=C(N[C@H](c1ccccc1)C1CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	774391599	ZMOMISVWUAKFCK-JOCHJYFZSA-N	404.466	3.782	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OC(F)(F)F)c1	775548757	PPEBLHYAQSXZDH-HNNXBMFYSA-N	409.452	3.960	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(O)n2)c(C)n1-c1ccc(Br)cc1	777461893	OLROHLHXGLEAED-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
COc1ccc(CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](CO)C(C)C)cc1	779165103	OGFMTUWVLXLTDN-XMMPIXPASA-N	416.537	3.690	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(OC(F)F)cc1	780358271	FTWQKHNAFXNFFJ-YESZJQIVSA-N	406.473	3.969	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	780683084	ONRMSQUWYBABMF-GOSISDBHSA-N	404.555	3.684	10	20	HHCD	
Cc1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)cc1-c1nnnn1C1CC1	784676734	VYAMWUJJEMZZHL-UHFFFAOYSA-N	400.826	3.863	10	20	HHCD	
Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1N1CCNC1=O	786359315	JSOMNHPAJFZPPX-UHFFFAOYSA-N	407.518	3.787	10	20	HHCD	
CC[C@@H]1CCc2nc(NC(=O)C(=O)N(CC)Cc3ccc(N(C)C)cc3)sc2C1	789369501	DZDOIBGUVDVSAD-OAHLLOKOSA-N	414.575	3.711	10	20	HHCD	
CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	789459275	PJXYETHUXKXLQF-OAQYLSRUSA-N	405.498	3.702	10	20	HHCD	
CCn1ccc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	790218672	BZZRPHIMYWWZBQ-CALCHBBNSA-N	402.514	3.602	10	20	HHCD	
COc1ccc(CNC(=O)c2sc(COc3ccc(F)cc3)nc2C)c(O)c1	794377651	TUXFKCOBLPPIGT-UHFFFAOYSA-N	402.447	3.814	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC	796324454	IRGNUFBSEPYYOM-QFIPXVFZSA-N	410.514	3.829	10	20	HHCD	
CC[C@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1ccc(F)cc1O	796993860	LEWGBXMJMIGOBG-WMZHIEFXSA-N	411.477	3.997	10	20	HHCD	
COc1cc(Br)c(/C=C2/SC(=S)N(C3CC3)C2=O)cc1OC	799205193	XJFHIEFIONNQNU-AWNIVKPZSA-N	400.319	3.830	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1	801640966	ZWKIVFSOJAZKEF-UHFFFAOYSA-N	404.532	3.814	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(OC(F)F)nc2)C2CCCCC2)cc1	802570965	CRPFUHLMLVHUAO-UHFFFAOYSA-N	404.417	3.570	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(Cc3ccccc3)cs2)cc1	806853858	PNJNLOSDPTXSMN-UHFFFAOYSA-N	422.554	3.835	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	807834378	LRYBDQHKESEPIW-UHFFFAOYSA-N	407.213	3.723	10	20	HHCD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)s1	808527360	DRZTTZVHNHOWCB-UHFFFAOYSA-N	420.541	3.515	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(C)c(C(=O)OC)s3)ccc21	809141398	QHEXTPMZZQZUOP-UHFFFAOYSA-N	416.499	3.813	10	20	HHCD	
C[C@H](NC[C@@H]1CCN(c2ccccc2F)C1)c1ccc(N2CCOCC2)c(F)c1	812735716	FOLOQDIFAXUCDX-ROUUACIJSA-N	401.501	3.979	10	20	HHCD	
COc1ccncc1CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	814329871	ZVTSROHKOYJGBP-OAHLLOKOSA-N	402.926	3.979	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(Cc3ccc4ccccc4c3O)CC2)C1	816613007	FGGNOKPUTHTKAI-FQEVSTJZSA-N	411.546	3.672	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@@H](C)n2cncn2)sc(C)c1-c1ccc(F)cc1	914448627	MJDILFOAJKLGPZ-LLVKDONJSA-N	402.451	3.831	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(-n3nnnc3SC)c2)cc1	916679813	GDBSXGUTZBUEQQ-UHFFFAOYSA-N	411.535	3.552	10	20	HHCD	
CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1cccc2ccccc12	917062086	SLQQIQYLLJKKPI-UHFFFAOYSA-N	421.516	3.564	10	20	HHCD	
Cc1cc(CC(=O)Nc2ccc(S(C)(=O)=O)nc2)c(C)n1-c1ccc(Cl)cc1	917674311	MGCPWWPICMAVED-UHFFFAOYSA-N	417.918	3.727	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCCOc3ccccc3)cc2F)C[C@@H](C)O1	917709252	FFLMWBJKRYTGFG-QZTJIDSGSA-N	400.494	3.915	10	20	HHCD	
CC(C)(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	918116907	CBFHECNMNNVHSB-IRLDBZIGSA-N	422.573	3.975	10	20	HHCD	
CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1	918745333	ATIHYQIEIRLAQI-OAHLLOKOSA-N	423.604	3.611	10	20	HHCD	
Cc1ncc(Br)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1	1116758741	BIYXLKWGACRPDA-UHFFFAOYSA-N	403.324	3.714	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(C(=O)OC)nn2-c2ccccc2)cc1F	1338743322	UKWLIQWICUDCJA-UHFFFAOYSA-N	424.476	3.574	10	20	HHCD	
C[C@H](NC(=O)NCCc1c(F)cccc1Cl)c1ccc(N2CCOCC2)cc1	1340412067	VDISMCWCFCUHJY-HNNXBMFYSA-N	405.901	3.919	10	20	HHCD	
COc1ccccc1N1C[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1=O	105052785	QBXVZFHYYBEJDB-HXUWFJFHSA-N	421.541	3.697	10	20	HHCD	
COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCCC[C@H]5CO)ncn4)CC3)c2c1	302090166	GJSAOEUXFJDFDV-SFHVURJKSA-N	419.529	3.611	10	20	HHCD	
CC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1F	65453368	UXRINFVXOYWCEH-AWEZNQCLSA-N	400.454	3.503	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H](c1ccccc1)N1CCOCC1	804893257	QLYDPVCNUHGEQF-SFHVURJKSA-N	424.328	3.572	10	20	HHCD	
C[C@@H](CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)Sc1ccccc1	807632861	LBOGJRYOBDKFQH-KRWDZBQOSA-N	424.522	3.811	10	20	HHCD	
Cc1cc([C@H](NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)C2CC2)ccc1F	561627718	DTQHDEFJRJTXLL-JOCHJYFZSA-N	407.489	3.818	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(F)c3)cc2Cl)C1	800636827	OWHVJZAPYOZTPP-CQSZACIVSA-N	403.885	3.970	10	20	HHCD	
Cc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n[nH]1	804815721	YWPLRXYPAWNOJA-LLVKDONJSA-N	402.296	3.774	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(Cc2ccc(F)cc2)CC1	809435695	KSBMIYQDYUGFLR-UHFFFAOYSA-N	412.505	3.799	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1	802209747	MWIBEGDNAOTGRK-BHIFYINESA-N	421.541	3.861	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1c(F)cccc1OC	807621639	HHKPXVIIZVDBDT-OAHLLOKOSA-N	402.466	3.546	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](CO)Cc2cnn(C)c2)c(C)n1-c1cccc(C(C)C)c1	816516075	UKMQGSYUHAIJMY-HXUWFJFHSA-N	408.546	3.532	10	20	HHCD	
CN1CCC[C@]2(CCN(Cc3cc(Br)cc(Br)c3O)C2)C1	816642110	PRWVCPCETFCQOZ-INIZCTEOSA-N	418.173	3.835	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)ccc21	482835175	AFZYRLNKTFKPMP-UHFFFAOYSA-N	423.513	3.624	10	20	HHCD	
Cc1cc(Cl)cnc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	812954826	BRUBCPNQQZFXCN-UHFFFAOYSA-N	410.905	3.748	10	20	HHCD	
O=[N+]([O-])c1cc(CNc2cccc(CN3CC[C@@H](O)C3)c2)ccc1N1CCCCC1	812776322	BTTMXEMGHHPBOS-OAQYLSRUSA-N	410.518	3.764	10	20	HHCD	
CC(C)(CCc1ccccc1)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	727599994	FUQRJDZNYRJZDB-NRFANRHFSA-N	422.573	3.599	10	20	HHCD	
COc1ccccc1OCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	729611558	QOZZYNTZDKOESL-IBGZPJMESA-N	414.502	3.561	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c1	729062672	UNVCBZSFPFAJPX-OAHLLOKOSA-N	421.453	3.712	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c(OC)c1OC	726197128	NHQOHXXPVUHQHK-FOWTUZBSSA-N	416.524	3.551	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)C2CC2)cc1	728754856	RVZBZEKQCLIKGP-HSZRJFAPSA-N	420.601	3.991	10	20	HHCD	
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCc1ccc(N3CCC(C)CC3)cc1)C2=O	731016693	OHMDDJKUKPRFDN-SFHVURJKSA-N	419.525	3.532	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3ccc([C@H]4C[C@@H]4C)o3)cc2F)CC1	730118749	BXHIXKGOCJFFNH-LPHOPBHVSA-N	414.525	3.683	10	20	HHCD	
COc1cccc(OC)c1OC[C@H](O)CN(Cc1ccccc1O)C1CCCC1	731845711	IELSFELTQAZZKZ-LJQANCHMSA-N	401.503	3.594	10	20	HHCD	
CC(=O)N1C[C@@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)Oc2ccccc21	742417032	PIESGLVDVIARPX-DEOSSOPVSA-N	421.541	3.886	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCNC(=O)c2ccc(F)cc2)cc1	919694611	BNCCUALTSNRPDP-UHFFFAOYSA-N	423.488	3.834	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)ccc1F	747859636	CPYXNUOLFDNMHH-UHFFFAOYSA-N	406.479	3.794	10	20	HHCD	
Cc1noc(C)c1[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743612967	ZQAPSIFJRNONMA-SWLSCSKDSA-N	408.449	3.922	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCn1ccnc1C	745842816	NTAJBYVGQHTSMG-UHFFFAOYSA-N	409.328	3.672	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)ccc1C	745994953	WGYUFZUFVJKFRB-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
Cc1ccnn1-c1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1	919895595	PAKRRZGLGLRKDL-UHFFFAOYSA-N	415.541	3.965	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c(C)n1-c1ccc(Cl)cc1	917990808	LOCMLQMQSKYFIX-UHFFFAOYSA-N	424.932	3.909	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCC1(N(C)C)CCCCC1	745281014	UJNQGLNQXBEWNJ-UHFFFAOYSA-N	412.372	3.951	10	20	HHCD	
O=C1CCCN1Cc1ccccc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	915228136	DFQATWMZOXGFHW-UHFFFAOYSA-N	422.529	3.997	10	20	HHCD	
CC(C)CCOc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1	746039461	YEGFZDQIDNGPKW-UHFFFAOYSA-N	410.514	3.951	10	20	HHCD	
C/C(=C\C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(C)(C)C	745595834	BISMJELIVRQROC-JJMLKOEDSA-N	420.525	3.591	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC2)cc1	742256999	POMWJZLDRXJIAO-UHFFFAOYSA-N	412.446	3.641	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)Cc1ccc(F)cc1	751466957	KIQYGSSOORCXJD-UHFFFAOYSA-N	402.285	3.646	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2C)no1	920887261	CCIVQPODQRIVKN-KRWDZBQOSA-N	408.502	3.718	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)cc1F	753737724	JGUUCIFJKFDCFI-UHFFFAOYSA-N	420.488	3.860	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)COc3cccc(C(F)(F)F)c3)CC2)cc1	920411662	WDRFLXASHIILDU-LJQANCHMSA-N	424.463	3.666	10	20	HHCD	
COC(=O)C1(c2ccc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc2)CC1	758163183	OUDWUXGLTVGNES-UHFFFAOYSA-N	416.282	3.704	10	20	HHCD	
C[C@@H](NCCc1cnn(C)c1)c1cc(Br)cc(Br)c1O	756443717	ULYFIZOAUIDWRB-SECBINFHSA-N	403.118	3.544	10	20	HHCD	
C[C@@H](NCCCCN1CCC[C@H]1CO)c1cc(Br)cc(Cl)c1O	756563851	OQYJMTZGCOZHRG-OCCSQVGLSA-N	405.764	3.696	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C[C@H]3CCOC3)C3CC3)c2C)cc1	754638998	MYLBPOGXNCEFKD-GOSISDBHSA-N	410.514	3.564	10	20	HHCD	
C[C@@H](NCC1=CCN(C)CC1)c1cc(Br)cc(Br)c1O	756790931	PVZNRKPIRHQVAU-SNVBAGLBSA-N	404.146	3.830	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccccc1Br)c1cc(F)cc(F)c1O	756761132	RJTJEVCDGUZXOT-PWSUYJOCSA-N	402.235	3.523	10	20	HHCD	
O=S(=O)(Cc1cc(Cl)ccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1	751120255	FOMGSEKIWHNOLI-QGZVFWFLSA-N	413.898	3.696	10	20	HHCD	
C[C@@H](NCCCSc1nccs1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1	753966450	YCJFESXJVNUYER-SJLPKXTDSA-N	421.588	3.641	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c1	756589208	KEIVNRRUUSIQAS-HIFRSBDPSA-N	406.429	3.710	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c1	762539191	WBQCDSGOXHJLMV-LBPRGKRZSA-N	401.850	3.914	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(I)c(O)c1	760918373	MFLQBUGBZFTTMI-UHFFFAOYSA-N	423.250	3.511	10	20	HHCD	
O=[N+]([O-])c1cc(CNC2CCC(O)(c3cccnc3)CC2)ccc1N1CCCCC1	769932114	NJDPAOAPNDGYJK-UHFFFAOYSA-N	410.518	3.900	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2ccccc2c(=O)o1	764611671	PIAZAHFDATZFSJ-UHFFFAOYSA-N	402.244	3.923	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H](c3cccc(C)c3)N3CCOCC3)CC2)cc1	764915220	VNJAENHRKJEFQU-RUZDIDTESA-N	409.574	3.636	10	20	HHCD	
Cc1cccc(NC(=O)N2CCN(Cc3cccc(Br)c3O)CC2)c1	769228892	BNVWYHVSLWBBQD-UHFFFAOYSA-N	404.308	3.813	10	20	HHCD	
CN1CCC(N2CCC(CCN(C)Cc3cc(Br)ccc3O)CC2)CC1	769526840	MXBUJTOHSQXRRO-UHFFFAOYSA-N	424.427	3.783	10	20	HHCD	
O=S(=O)(c1ccccc1)N1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1	769061347	UCPLQMQYSSAYIL-UHFFFAOYSA-N	413.587	3.574	10	20	HHCD	
Cc1c(C(=O)NCCc2ccc(O)c(O)c2)cnn1-c1cccc(C(F)(F)F)c1	768901078	VIDTXUBYCJQYPT-UHFFFAOYSA-N	405.376	3.583	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1	765077424	CAHNYMSADAKBFU-YKSBVNFPSA-N	411.615	3.619	10	20	HHCD	
CO[C@@H](c1ccccc1F)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	762290629	GZTJFOZCTRRGIW-CWTRNNRKSA-N	406.841	3.725	10	20	HHCD	
CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C)cc1Br	774619510	DCARDTTVXQSWCC-UHFFFAOYSA-N	413.293	3.531	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@@H](c4cccc(OC(F)F)c4)C3)cc2)CC1	775734004	XTZKKFSYADUXHF-JOCHJYFZSA-N	417.500	3.613	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCOCC4(CCCC4)C3)cc2F)C[C@@H](C)O1	776118937	WWJKPOAFDSPCKS-QZTJIDSGSA-N	419.541	3.542	10	20	HHCD	
C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)c(F)c1	772875205	KGWFNZWJAFINQF-MJGOQNOKSA-N	421.557	3.930	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1cc2c(cc1O)OCO2	779611517	KANCZPCTXULOIH-FQEVSTJZSA-N	421.497	3.556	10	20	HHCD	
C[C@@H](NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(N2CCOCC2)cc1Cl	773044722	RINJRGZDWZKNOB-CQSZACIVSA-N	415.900	3.952	10	20	HHCD	
O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771066204	PRUMHFKFXPCFCC-HXUWFJFHSA-N	424.932	3.555	10	20	HHCD	
CN(C)C(=O)N1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	772647277	MOWPLVSSLHDCQK-UHFFFAOYSA-N	408.506	3.607	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1	775620123	BARJLXHYRPWNPG-GJJHYRHESA-N	421.557	3.975	10	20	HHCD	
Cc1nc(Cl)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	789370107	LOZRQZWDNYJWSM-UHFFFAOYSA-N	400.910	3.631	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc2[nH]ccc12	785191985	IGQNIBUDFXOQAN-UHFFFAOYSA-N	416.275	3.623	10	20	HHCD	
CCOc1cccc2cc([C@H](C)NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)oc12	785536597	CFHPGHLMZZCWJD-HOTGVXAUSA-N	423.513	3.952	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)cc1	782188524	JXBAROOFOCILKJ-LZYBPNLTSA-N	421.446	3.922	10	20	HHCD	
CN1CCC2(CCCN2Cc2cc(Br)cc(Br)c2O)CC1	789559385	PIVKRQNCWIRVNG-UHFFFAOYSA-N	418.173	3.977	10	20	HHCD	
C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCCC2)cc1	783224278	PWOQRMPTLAVIFC-RXVVDRJESA-N	403.567	3.791	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(OC(F)(F)F)cc3)c2)CC1	781045831	RTAJCYDVXNEVTA-UHFFFAOYSA-N	407.392	3.506	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1	790227379	IEPXPOCJTXWPMZ-UHFFFAOYSA-N	400.498	3.820	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCNCc2ccc(N3CCCC3)cc2)s1	1318630730	YNBDEURPRFUYBS-UHFFFAOYSA-N	421.632	3.711	10	20	HHCD	
CC[C@H](CNCc1ccc(N2CCN(C)CC2)c(F)c1)N1CCc2ccccc2C1	1318418801	MEYXARWTUCVDCA-HSZRJFAPSA-N	410.581	3.504	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1	51131966	XYUSDZXAPLPABR-RCZVLFRGSA-N	409.574	3.811	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cnc21	65455679	OMTPMXVEXDMOGD-INIZCTEOSA-N	408.506	3.732	10	20	HHCD	
O=C(COc1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	216589619	JUVBQAVMMNBGAR-GOSISDBHSA-N	409.404	3.998	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)sc2c1CCCCC2	302995925	YJUNDDFURNJXAB-CYBMUJFWSA-N	404.532	3.533	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)ccc21	468609622	WSJWGURBFLDIDC-GOSISDBHSA-N	410.518	3.784	10	20	HHCD	
Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cccc1[N+](=O)[O-]	726566277	MSWXGORBOAEKQY-UHFFFAOYSA-N	405.401	3.903	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1[N+](=O)[O-]	726566464	ONTOVABXMNXDHH-UHFFFAOYSA-N	405.401	3.903	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)ccc21	728637348	KBZZLJURFQOQCA-HOTGVXAUSA-N	400.519	3.851	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1	728979578	ISJDWHGHHZGINA-HNNXBMFYSA-N	402.450	3.746	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CCCC1	731030845	UJCQITVWGXYEDV-HDICACEKSA-N	405.558	3.709	10	20	HHCD	
CC1(C)CCc2cc(CNCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc2O1	731676575	BGRYLHKUVNCZHD-NRFANRHFSA-N	407.558	3.782	10	20	HHCD	
C[C@H]1C[C@H](C)CC[C@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	733115066	SUOXKPMOQBBGMT-FHSNZYRGSA-N	406.438	3.925	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1	734016434	QNQHNOWXMQALQQ-JTQLQIEISA-N	414.683	3.900	10	20	HHCD	
O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(Cc1ccco1)Cc1ccccc1O	735309447	OERGRITYSMJGHK-UHFFFAOYSA-N	423.425	3.894	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1	742334860	UYIFBNSHSMSCJE-MRXNPFEDSA-N	410.486	3.852	10	20	HHCD	
Cc1nn(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1Cl	742806269	QZMIPHINERQGOH-CQSZACIVSA-N	412.868	3.540	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(Oc4ccccn4)c3)ccc21	743900840	RZRCEEGZCYWGBN-UHFFFAOYSA-N	416.481	3.511	10	20	HHCD	
O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)Nc1ccc(N=Nc2ccccc2)cc1	746022086	VMYYAVQJFNLQLU-SZNDQCEHSA-N	406.446	3.602	10	20	HHCD	
COCCN(Cc1cn2cc(Br)ccc2n1)c1ccc(OC)c(OC)c1	746474845	MWHCKTJTVGIKSO-UHFFFAOYSA-N	420.307	3.767	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCN(C4CCOCC4)CC3)c2C)c1	747843590	BLQCRRRRNYDBIO-UHFFFAOYSA-N	409.574	3.690	10	20	HHCD	
CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	748752834	NXFOSORKAIVHLE-FQEVSTJZSA-N	415.559	3.534	10	20	HHCD	
Cc1cnc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1	750123293	JJEDMMIRJRFCGJ-NVNXTCNLSA-N	419.553	3.571	10	20	HHCD	
Cc1nc(-c2ccccc2)oc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	750946334	JKQHEKSDHGGPQM-UHFFFAOYSA-N	407.470	3.531	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C	752667530	AGSGXXXBZLWPCW-DLBZAZTESA-N	404.555	3.506	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3c(F)c(F)cc(F)c3F)CC2)cc1	752962451	RXLUVRYWCNLMNE-UHFFFAOYSA-N	411.399	3.720	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN(CCS(C)(=O)=O)C3CC3)c2C)c1	753252567	WCQLYCWJWZSQCT-UHFFFAOYSA-N	420.600	3.508	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@H](c3cccnc3)C(C)C)CC2)cc1F	753911352	LYJPAYUMSVEFIZ-IBGZPJMESA-N	400.498	3.501	10	20	HHCD	
C[C@@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1O	756050456	NYUJVBOHVGDILZ-LLVKDONJSA-N	409.379	3.942	10	20	HHCD	
C[C@@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1cc(Br)ccc1O	756345291	WOWYHSNCGJRYQM-PBHICJAKSA-N	424.408	3.856	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	756526954	PMUYMKFDEMCGSI-VYDXJSESSA-N	406.523	3.865	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCc2nc(-c3cccc(Cl)c3)no2)c1	756708451	CZBKUSSFMMKHLV-GFCCVEGCSA-N	401.850	3.776	10	20	HHCD	
CCCCn1c(=O)nc(O)c2c1nc(CN(C)c1ccc(OC(C)C)cc1)n2CC	759914190	JGAQRRSEOBGOGY-UHFFFAOYSA-N	413.522	3.542	10	20	HHCD	
CCCOc1cc(F)ccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	760083531	GDOKCVZKYIFYRR-UHFFFAOYSA-N	405.445	3.912	10	20	HHCD	
CN1C(=O)N(Cc2ccc(N3CC=CC3)cc2)C(=O)[C@H]1c1cc(F)c(F)c(F)c1	761378796	IWIGBBMCOZIIPW-LJQANCHMSA-N	401.388	3.615	10	20	HHCD	
Cc1ccc([C@H](C)NC(=O)NCc2cccc(Br)c2O)cc1[N+](=O)[O-]	764790982	LENJLZANVBMEIO-NSHDSACASA-N	408.252	3.932	10	20	HHCD	
C[C@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCC2)c(F)c1	765621225	AOTRVUHIFYWQTC-UPCLLVRISA-N	424.520	3.721	10	20	HHCD	
C[C@H](NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(N2CCCCCC2)cc1	765626491	OERUYVWIYRMLSQ-REWPJTCUSA-N	400.611	3.660	10	20	HHCD	
CNS(=O)(=O)c1cccc(NC(=O)c2sccc2-n2c(C)ccc2C)c1C	766092778	DSZMPUFASVZMIB-UHFFFAOYSA-N	403.529	3.624	10	20	HHCD	
COCc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)cnn1-c1ccccc1	767876771	MBMYKZNVGQJWLH-UHFFFAOYSA-N	404.514	3.939	10	20	HHCD	
CC(C)OCCCNC(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	768315073	IKNJVMVCOIBOLH-UHFFFAOYSA-N	401.595	3.820	10	20	HHCD	
Cn1cc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2ccccc21	768914970	HFPMISQUNKQPOS-LJQANCHMSA-N	411.933	3.861	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Cn2ccnc2)cc1	768916668	SLVMYXYHEWUOMH-NRFANRHFSA-N	424.932	3.685	10	20	HHCD	
CCO[C@@H](C)c1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1	771057472	KAUUTOREUYMCJR-BBRMVZONSA-N	423.966	3.994	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(N=c4cc[nH]cc4)cc3)c2)CC1	771636966	MDBGMWDHQHTKFI-UHFFFAOYSA-N	401.514	3.641	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(-c3cccnc3)nn2CCO)cc1	775111228	NQFHSCMBZGTUGU-UHFFFAOYSA-N	401.470	3.597	10	20	HHCD	
CSc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	775254124	HDACTRURIPWZKG-SFHVURJKSA-N	413.587	3.554	10	20	HHCD	
COc1cc([C@H](NC(=O)NCc2ccccc2O)C(F)(F)F)cc(OC)c1OC	775998659	FUHBRHLVXHQTEX-KRWDZBQOSA-N	414.380	3.521	10	20	HHCD	
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776250509	UTXBQCKCGDWKLV-AUSIDOKSSA-N	409.578	3.905	10	20	HHCD	
Cc1ncsc1/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	776788463	DPUFCOYJEULCLP-SNAWJCMRSA-N	411.449	3.637	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](CCC(=O)NCc1ccc(O)c(O)c1)c1ccccc1	778919203	WIWJUGQTVUHJAA-QGZVFWFLSA-N	400.475	3.760	10	20	HHCD	
CCC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1cccc(N2CCCC2)c1	779509780	HYHQHFZLSNBCCT-QXHGNLAOSA-N	423.513	3.635	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)cc1	785193662	ZFHHUSKGCYNNAX-UHFFFAOYSA-N	421.291	3.541	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1	785427625	FESXTUFNAKTTEK-IBGZPJMESA-N	403.473	3.551	10	20	HHCD	
COc1cc(Br)cc(CN[C@H](C)c2nc(Cc3ccccc3)no2)c1O	792178730	FSGYSZXNLMQVJL-GFCCVEGCSA-N	418.291	3.988	10	20	HHCD	
C[C@@H](NC(=O)NCCCCn1cc(Br)cn1)c1ccc(N(C)C)cc1	792179891	RCJPWSFVHHSIGY-CQSZACIVSA-N	408.344	3.552	10	20	HHCD	
COc1ccc(CNC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c(O)c1	794379086	YRIFZCUXCALWOM-UHFFFAOYSA-N	401.466	3.658	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCOC[C@H]3CCCO3)cc2Cl)C1	799929257	QSPBNMBJUIFOTP-FUHWJXTLSA-N	409.958	3.571	10	20	HHCD	
COc1cccc([C@@H](O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1	800572612	ZUPCQZVFGFGELS-YCRPNKLZSA-N	402.922	3.935	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc(-c2ccccc2)c(C)c1	807095899	BGBWKAHCOFZINV-UHFFFAOYSA-N	415.537	3.969	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](OC)c1ccc(Cl)cc1	807597501	JUHPWBFAPMQANV-HXUWFJFHSA-N	418.921	3.678	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1)c1ccc(N(C)C)cc1	807678044	UMVCZXYQASCBBC-XLIONFOSSA-N	418.541	3.817	10	20	HHCD	
CON(C)C(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)CC1	812870427	IGLYEOFPRVAHNC-UHFFFAOYSA-N	411.546	3.625	10	20	HHCD	
Cc1cc(CN2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)ccc1N(C)C	815092207	CGJAZLJAXWHPKK-UHFFFAOYSA-N	408.506	3.558	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c[nH]c2cccc(Cl)c12	815952765	URQPCTSTHNMHDK-UHFFFAOYSA-N	421.280	3.925	10	20	HHCD	
Cc1cc(C(=O)NCc2cccnc2OCC(F)(F)F)c(C)n1-c1ccccn1	914848534	CRJWMJCMGCNHLR-UHFFFAOYSA-N	404.392	3.755	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1OCC(C)C	918138620	NZIQBEGWLLLGEO-UHFFFAOYSA-N	416.493	3.636	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC12CC3CC(CC(C3)C1)C2	918159518	IKWHPOMJXCYGPT-UHFFFAOYSA-N	411.590	3.911	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)Cc3cccc(O)c3)cc2F)C[C@H](C)O1	919784433	QLDLQLNKEKXJTE-IKGGRYGDSA-N	415.509	3.575	10	20	HHCD	
COc1ccc2oc(C)c(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2c1	919971076	MVYMEMLWHOLLDV-UHFFFAOYSA-N	412.461	3.780	10	20	HHCD	
CCN(CC(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(OC)c(OC)c1	921061781	LOQWCAYKOASKNQ-UHFFFAOYSA-N	408.882	3.839	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCCN2C(=O)COc3ccccc32)c1O	1116675179	VCVTXTXGLRNIMJ-CYBMUJFWSA-N	405.292	3.539	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3c(OC)ccc(SC)c3OC)CC2)cc1	1254173151	WKWIRIQPCZAACU-UHFFFAOYSA-N	416.543	3.787	10	20	HHCD	
C[C@H](NC(=O)N1CCC(Nc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	1318148137	OZYPHGYBIAPFMQ-IBGZPJMESA-N	408.546	3.870	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(COc2cccc(C=O)c2)c1	1320387159	QNUQXTMCRNXTFC-MRXNPFEDSA-N	405.450	3.850	10	20	HHCD	
CN1CCN(c2ccc(CNC3CCC(C(=O)OC(C)(C)C)CC3)cc2F)CC1	1341587568	QMOSVJDEBOQUAC-UHFFFAOYSA-N	405.558	3.568	10	20	HHCD	
CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)CCCC1	1788425505	WICXQOMAOVCHKN-UHFFFAOYSA-N	409.486	3.821	10	20	HHCD	
CC(C)=CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1	1800718211	MWGAEICTSIAFBN-MUJYYYPQSA-N	406.910	3.749	10	20	HHCD	
CC(C)C1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)CCC1	1803410848	QXBKTMZVXJGXIF-MUJYYYPQSA-N	420.937	3.829	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)C2=COCCC2)C3)cc1	1845399210	BOPYWCNDLRIUSX-UHFFFAOYSA-N	419.525	3.605	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(Br)cnc3Cl)CC2)cc1	110227740	OLNXZWJOJLXRJN-UHFFFAOYSA-N	424.726	3.859	10	20	HHCD	
O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(N2CCC(CO)CC2)cc1	301696295	PVXOOAURSHUUGC-UHFFFAOYSA-N	421.295	3.573	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)c1cccc(S(=O)(=O)NC2CCCC2)c1	47290009	FBWQUWTXTAMCMU-UHFFFAOYSA-N	413.543	3.760	10	20	HHCD	
O=C(Cc1occc1C(=O)N1CCc2cc(F)ccc21)N1CCc2cc(F)ccc21	512443015	WQTKUKPMTNIPPS-UHFFFAOYSA-N	408.404	3.893	10	20	HHCD	
COCCC1(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCCC1	807911599	XTRMMXMAHQAMKN-UHFFFAOYSA-N	416.562	3.767	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1F	800728329	KRCSAIZCTHCULF-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
CCS[C@@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	809236892	BWIOEUGNSNJBDE-PKOBYXMFSA-N	416.543	3.695	10	20	HHCD	
CCc1ccc(CC)c(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1	807387806	YAQWPTOEJCXCJU-UHFFFAOYSA-N	405.292	3.534	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N(C)C[C@H](O)C(F)(F)F)cc2Cl)C1	800720374	SDJLDFXIZNUKQB-LRDDRELGSA-N	407.864	3.641	10	20	HHCD	
Cc1cccc2cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)sc12	808287923	QQUJHNHNJLIEPD-SFHVURJKSA-N	407.539	3.841	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3Cc4cccc(Cl)c4C3)cc2F)CC1	806749574	CBUDQDTZNLNNBZ-UHFFFAOYSA-N	416.928	3.846	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1OCCc2sccc21	813869768	LJIWEULARIVWQR-WJPUGNRLSA-N	416.543	3.847	10	20	HHCD	
COc1ccc([C@@H](O)C2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)cc1	812889141	NHRSCBJHOCTCSV-XMMPIXPASA-N	421.541	3.727	10	20	HHCD	
COCCOc1cccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c1	727863774	JFBBNXKPPXLZJU-AQTBWJFISA-N	400.525	3.551	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1	728937680	GXMBCMOPZXWIEA-KBPBESRZSA-N	404.536	3.972	10	20	HHCD	
CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1	727247149	VLWXHHFULFAAHG-UHFFFAOYSA-N	415.496	3.852	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1	727168201	KJXBIWQTXWFEFW-UHFFFAOYSA-N	406.486	3.670	10	20	HHCD	
CCc1nc2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2nc1CC	728301821	KSCVLYQJDMNHGO-UHFFFAOYSA-N	418.541	3.863	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@H](c2ccccc2F)C1	730579761	HUCBJTIDYPEOAZ-KRWDZBQOSA-N	401.457	3.501	10	20	HHCD	
CCOC(=O)C1CCC(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	731116713	RFDBFKJNJABBEH-UHFFFAOYSA-N	401.551	3.844	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(-c4cnco4)c3)cc2)CC1	731131472	JPPPYSYEVKQRMH-UHFFFAOYSA-N	418.497	3.833	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)cc1	734660160	LRPBMUBYBKHHNO-HXUWFJFHSA-N	404.505	3.913	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCCn3ccccc3=O)c2C)cc1F	735143776	PCAOBXJHLJYOBQ-UHFFFAOYSA-N	424.472	3.910	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)Cc3ccccc3C)cc2F)CC1	730119991	XFCNKRHJRABWQG-LJQANCHMSA-N	412.553	3.706	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)Cc2cc(-c3ccccc3)no2)cc1F	731356783	SDQRAIFEBIBVPY-UHFFFAOYSA-N	417.506	3.947	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1	918430294	VQWSJHBUKMDQDO-UHFFFAOYSA-N	409.408	3.686	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C	917758224	LYBNYNMKBXJMOG-UHFFFAOYSA-N	423.343	3.864	10	20	HHCD	
CC(C)C[C@H]1CCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	748807386	OIFXDJJJEOZNSY-WSTZPKSXSA-N	405.558	3.566	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1	741189620	LJFHWVVKDLPEMV-UHFFFAOYSA-N	422.550	3.965	10	20	HHCD	
C[C@H](Oc1cccc(F)c1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	917713985	LTMWHZULIJAFBV-OAGGEKHMSA-N	404.457	3.662	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OC)cc1	918186571	FEAHAFLPQLEBFJ-NRFANRHFSA-N	415.509	3.746	10	20	HHCD	
CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1	740610218	UFNSIKZECOGLSV-MRXNPFEDSA-N	415.559	3.703	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	746513579	LLKSNWRKFCLZQH-UHFFFAOYSA-N	401.938	3.954	10	20	HHCD	
COc1ccc(-c2nc(CC(=O)NCc3ccc(N(C)C)cc3)cs2)cc1OC	744382745	CUJYGFKSWATLTR-UHFFFAOYSA-N	411.527	3.752	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCCCCC1	749009058	IWCXCSJWKPKGFZ-LJQANCHMSA-N	400.567	3.643	10	20	HHCD	
CCO[C@@H](CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C1CCCC1	747511615	LHLUMCIZNYCWAO-QFIPXVFZSA-N	403.567	3.902	10	20	HHCD	
COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	747859548	BFXSROKFYNNZLC-UHFFFAOYSA-N	418.515	3.519	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1F	757852861	RSJUOCBDIKTZKS-UHFFFAOYSA-N	421.472	3.839	10	20	HHCD	
C[C@@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)cc(F)c1O	756602786	FNYNCORYJOCQLS-JLTOFOAXSA-N	423.326	3.581	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1	753637741	YAMODQZWLCKAEK-OAHLLOKOSA-N	403.438	3.905	10	20	HHCD	
COc1cccc([C@H](C)CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	753317601	QSFWGDCKSPMJJC-MRXNPFEDSA-N	400.494	3.605	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1	756432321	QAFXMROERMUHNH-IAGOWNOFSA-N	418.559	3.672	10	20	HHCD	
Cc1cnc([C@@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	754161709	XKEJECQDGVCCLL-SOUVJXGZSA-N	420.554	3.807	10	20	HHCD	
CCc1cc2c(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cc(=O)oc2cc1O	756337289	RLCVZZBQTVXLMS-IBGZPJMESA-N	409.482	3.948	10	20	HHCD	
CC(C)Oc1ncccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	857455380	CKTDUAKWURJQQF-HNNXBMFYSA-N	405.445	3.869	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Br)cc(F)c1O	756544720	VIGIBZDJHQVCEM-GXSJLCMTSA-N	420.225	3.663	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1	757654356	AQBVXACRFUWSKE-IVZQSRNASA-N	406.523	3.867	10	20	HHCD	
Cc1cc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n[nH]1	756699734	HMOIBVBFPRBTGH-UHFFFAOYSA-N	417.412	3.696	10	20	HHCD	
Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1	753548730	MXMHEYAOHYTMGC-NZQKXSOJSA-N	407.514	3.650	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3ccc(F)cc3F)cc2F)C[C@H](C)O1	751647344	XQCJTUXQQMOYFN-GJZGRUSLSA-N	406.448	3.967	10	20	HHCD	
CCOC(=O)c1cnc2nc(C)ccc2c1N1CCN(c2ccc(OC)c(F)c2)CC1	754026281	QTNNKRDWXALTHZ-UHFFFAOYSA-N	424.476	3.589	10	20	HHCD	
CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2O)c1	765903216	HWCBUZVNQHHTNS-GFCCVEGCSA-N	421.291	3.587	10	20	HHCD	
CC1(C)C[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)CN1Cc1ccccc1	762476260	OQJZKFFUDBALQA-OAQYLSRUSA-N	411.565	3.930	10	20	HHCD	
COc1cc2c(cc1CN[C@@H](C)c1ccc(N3CCOCC3)c(F)c1)O[C@@H](C)C2	764841385	PDVAYDFLOFJZLD-HOTGVXAUSA-N	400.494	3.845	10	20	HHCD	
Cc1cc(C(=O)N2CCn3c(Br)cnc3C2)c(C)n1-c1ccc(F)cc1	763807311	JACKIIODOFAOLU-UHFFFAOYSA-N	417.282	3.848	10	20	HHCD	
CC[C@H](NC[C@H](O)c1cc(OC)cc(OC)c1)c1cc(Br)ccc1O	761500635	XXNSMCWEFQYSAN-HKUYNNGSSA-N	410.308	3.946	10	20	HHCD	
Cc1onc(-c2ccccn2)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	764927318	YLARYGUCZMWHQI-GJZGRUSLSA-N	424.476	3.728	10	20	HHCD	
Cc1noc(CCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)n1	769968521	SAGRWLLXMQMGHO-UHFFFAOYSA-N	407.470	3.633	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	768202357	XWXPXNCIULPPRD-HZPDHXFCSA-N	422.422	3.624	10	20	HHCD	
CCOC(=O)C(C)(C)n1cc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)cn1	766161123	IJEWXBSHZKVGDX-UHFFFAOYSA-N	415.538	3.691	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cn(C)nc1-c1ccccc1	779623353	ATFWAYLGEYKBAT-UHFFFAOYSA-N	405.502	3.588	10	20	HHCD	
CC[C@@H](C)n1nc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1C	776025609	CWWWMRRHMMACDQ-MRXNPFEDSA-N	416.545	3.765	10	20	HHCD	
COc1ccccc1CSc1ccccc1NC(=O)C(=O)NCc1ccccc1O	770266267	RLZNJFCQBXHADD-UHFFFAOYSA-N	422.506	3.948	10	20	HHCD	
C[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(N2CCCCC2)cc1	773075913	LQNNEGBTIJTYCC-QGZVFWFLSA-N	407.605	3.710	10	20	HHCD	
Cc1nc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cn1C	776743268	FVLLQCABYZISPX-UHFFFAOYSA-N	400.485	3.512	10	20	HHCD	
COCC(=O)N1CCc2cc(N[C@@H](C)c3cc(Br)ccc3O)ccc21	779064741	MGXZYDIGORHCET-LBPRGKRZSA-N	405.292	3.863	10	20	HHCD	
COc1cccc(Cn2nccc2NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1OC	779463316	ZPHXNQNMKQQFOX-MRXNPFEDSA-N	423.517	3.897	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl	771525423	QQYJUZZWVJOZIG-UHFFFAOYSA-N	417.893	3.814	10	20	HHCD	
Cc1nn(C)cc1[C@H](C)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	777302421	PIGWNAUGIKEGHH-YWZLYKJASA-N	401.555	3.711	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1F	774918307	MURYPFRXCYKESJ-AWEZNQCLSA-N	414.408	3.670	10	20	HHCD	
CCOC(=O)N1CCC([C@H](C)NC(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1	779673869	QAKGOQJVUCQBEN-KRWDZBQOSA-N	404.555	3.541	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1-c1cccc2ncccc12	773995847	XLOMQAOGFLZRAT-OAHLLOKOSA-N	400.486	3.681	10	20	HHCD	
CCOC(=O)c1oc2c(c1C)[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CCC2	774133146	WOZZSKPRGDKFOX-SFHVURJKSA-N	416.493	3.908	10	20	HHCD	
CCN1CCN(c2cccc(NCc3cc(Br)cc(OC)c3O)c2)CC1	789545557	VGJFVGQJMKPZRZ-UHFFFAOYSA-N	420.351	3.917	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(NCC4CC4)nc3)cc2F)C[C@H](C)O1	788288000	LXBMUNGYISOFCB-HOTGVXAUSA-N	412.509	3.586	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-c2nccn2C)c1	783316042	HGFRVVHCPZFQPJ-UHFFFAOYSA-N	419.529	3.529	10	20	HHCD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	787819470	FACYAYSRPPGYKI-HZPDHXFCSA-N	408.458	3.875	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	780620661	HKCYCVAWOMXCPM-WMZOPIPTSA-N	404.555	3.902	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccn(CC(F)(F)F)c1=O	782787254	FTJZJJXDCTUXSP-UHFFFAOYSA-N	410.440	3.919	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)OC(C)(C)C)C2)c1O	784522464	HHGNZSTUMICIET-GDIGMMSISA-N	406.498	3.859	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1cccc(Br)c1F	798438194	VOJAVQBNNXPWOY-UHFFFAOYSA-N	411.343	3.505	10	20	HHCD	
C[C@@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccc(N2CCOCC2)cc1Cl	797133950	RVSFHJHGPFTMDA-CHAGWJKLSA-N	406.979	3.906	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1317959261	NMZRXZWRMWQXAJ-NRFANRHFSA-N	422.573	3.505	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCn4c(nnc4C4CCCC4)C3)cc2)CC1	1323605695	ZFEWENIOCNUDES-UHFFFAOYSA-N	422.577	3.897	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccnc(Cc4ccccc4)n3)CC2)cc1	1320290399	LSBHIUAVBPROCS-UHFFFAOYSA-N	417.513	3.820	10	20	HHCD	
C[C@H](NC[C@@H](CO)CC1CCOCC1)c1cc(Br)cc(Cl)c1O	1256036036	XOTBDFQYCONMML-AAEUAGOBSA-N	406.748	3.884	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(F)s1	1800715829	QWUOXTNFZYSYMK-ZSBIGDGJSA-N	424.881	3.517	10	20	HHCD	
C[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1800719240	CYTVVHDXQVXIPZ-JMGPTOKJSA-N	420.937	3.829	10	20	HHCD	
CCO/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1802671246	OQXHWPJPDBQWPC-WYMSXFMSSA-N	421.541	3.896	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)SC1=S	2897832	SDIYUXPHUZQZOX-QPEQYQDCSA-N	424.297	3.995	10	20	HHCD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1\SC(N2CCOCC2)=NC1=O	26763650	NTFBYVCKKXTERD-WQRHYEAKSA-N	416.934	3.504	10	20	HHCD	
CC(C)CCOc1cccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	64590816	SZSWPQGVUCCNTH-UHFFFAOYSA-N	409.530	3.967	10	20	HHCD	
Cc1c(CNC(=O)N2CCN(c3ncnc4sccc34)CC2)n(C)c2ccccc12	472277142	MDHTUHDNUNXLEY-UHFFFAOYSA-N	420.542	3.523	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)ccc21	482367369	SDDIQUXVOPFHIL-UHFFFAOYSA-N	421.541	3.876	10	20	HHCD	
CN(CCCc1cc(-c2ccccc2)no1)CC(=O)NCc1ccc(N(C)C)cc1	725805120	QMMAKUKADCOVKR-UHFFFAOYSA-N	406.530	3.588	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3OCCO4)n2)cc1	727243613	BALBVGXUPNVUDY-UHFFFAOYSA-N	402.497	3.945	10	20	HHCD	
CCCCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	728020302	QHMVKEBXPQMWOS-HXUWFJFHSA-N	403.592	3.727	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN1c1ncnc2sccc12	728516849	XTIJYJXGQXEYFW-IBGZPJMESA-N	407.543	3.577	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1F	731347370	WIJJLUTVJQEDNM-UHFFFAOYSA-N	406.885	3.955	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC(F)F	734211970	BEKZYRRFQHOSBA-UHFFFAOYSA-N	409.408	3.894	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2c(C)nc3c(c(O)nn3C)c2C)c1C	734360006	FEZFEAGTOOLETL-UHFFFAOYSA-N	417.513	3.937	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1OCC(F)(F)F	739068547	PZQUBTSMHFCSMQ-UHFFFAOYSA-N	423.435	3.599	10	20	HHCD	
O=C(CCCOc1ccc(F)cc1F)NCc1ccc(N2CCC(O)CC2)c(F)c1	742807583	GVDIJPAKPROENB-UHFFFAOYSA-N	422.447	3.540	10	20	HHCD	
Cc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743975283	PEKFCJTVQDWLFT-MRXNPFEDSA-N	417.456	3.629	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc(OC)cc1	745254974	KWPSJEFCCGLPFY-UHFFFAOYSA-N	407.308	3.938	10	20	HHCD	
COCCN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(OC)c(OC)c1	746474652	KDOFRQOFIBZDQU-UHFFFAOYSA-N	412.408	3.814	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)ccc1-n1cncn1	747304716	WRMFDEQIZVVADZ-UHFFFAOYSA-N	417.435	3.846	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nccn4ccnc34)c2C)cc1C	748464767	VJLFCWNFLSUNOS-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccc(N(C)C)c3)cc2F)C[C@@H](C)O1	748468304	YSGKYXOKNIMFJH-IAGOWNOFSA-N	414.525	3.505	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3cnn(Cc4ccccc4)c3)cs2)cc1	751930194	BFVPEGMVTSTADC-UHFFFAOYSA-N	404.495	3.918	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)c[nH]1	753138893	QJZCRPUEPCQYLZ-NTUHNPAUSA-N	410.423	3.809	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC([C@H]2CCOC2)CC1	753200342	VGVHRYLLFPSUTR-ZWKOTPCHSA-N	423.504	3.715	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(Br)c1	755173869	PMLFRDYWUCVTEW-UHFFFAOYSA-N	417.347	3.896	10	20	HHCD	
COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1	755738229	WXUFPPTWQFARGA-UHFFFAOYSA-N	423.541	3.977	10	20	HHCD	
C[C@H](NC[C@H](O)COc1cccc(F)c1)c1cc(Br)c(F)cc1O	756455324	COXFMPDTZPZHRQ-JQWIXIFHSA-N	402.235	3.523	10	20	HHCD	
C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)cc1O	756602155	CLHZVTKQTQSVRV-XAUMDUMWSA-N	419.363	3.688	10	20	HHCD	
COc1ccc(C(=O)N2CCC(N[C@@H](C)c3ccc(C)c(C)c3O)CC2)cc1OC	756732611	IVSYPOLVSRRPCT-KRWDZBQOSA-N	412.530	3.982	10	20	HHCD	
C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cc([N+](=O)[O-])ccc1O	756774143	GQCXAAVWSUXHAZ-QTJFZDIUSA-N	405.882	3.676	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cncc(I)c2)C2CC2)cc1	756917773	GHXJSMBMKWSDMA-UHFFFAOYSA-N	421.282	3.557	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3Br)cc2F)C[C@@H](C)O1	758176316	BZBAUHCZHCMYPH-BETUJISGSA-N	422.298	3.527	10	20	HHCD	
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1	759603105	QTEAPYYHYOYDSB-AWEZNQCLSA-N	414.597	3.666	10	20	HHCD	
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c2)n1	760112515	QWQSOYGHCFXFGB-UHFFFAOYSA-N	416.481	3.590	10	20	HHCD	
CN(CCCNC(=O)C1CCC1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	760439074	AMRJCJXVQYLTEK-UHFFFAOYSA-N	421.501	3.805	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNCc3ccc(F)c(Cl)c3Cl)cc2)CC1	762442048	GDJJBSQKJQWGJN-UHFFFAOYSA-N	417.333	3.657	10	20	HHCD	
CO[C@H](CNC(=O)NCc1cccc(Br)c1O)c1ccc(Cl)cc1	764782687	HPZKTHLJTDMHJQ-OAHLLOKOSA-N	413.699	3.995	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@@H](c1cccs1)N1CCCC1	765445503	LIYUHHHLCZCFOW-HNNXBMFYSA-N	424.364	3.853	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1cccc(Br)c1O	765531986	AVWFVGOZJKRJLZ-UHFFFAOYSA-N	402.339	3.593	10	20	HHCD	
O=C(NCc1nnc(-c2ccccc2)s1)NCc1cccc(Br)c1O	765538556	YYIBYLYKMLMXKE-UHFFFAOYSA-N	419.304	3.673	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-n2cccn2)cc1	768912811	RHQUVVNYHNTTID-IBGZPJMESA-N	410.905	3.626	10	20	HHCD	
COc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)c1O	769504410	XXBGVNHBQKHZQV-UHFFFAOYSA-N	420.303	3.528	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(C)(C)S(=O)(=O)CC2)c(C)n1-c1ccc(Cl)cc1	772833905	PRFPZYFHAVYNNA-UHFFFAOYSA-N	422.978	3.716	10	20	HHCD	
CN1C(=O)CCc2cc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)ccc21	773896761	GKEBXHCKEGIZPB-NVMNQCDNSA-N	424.503	3.730	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1N1CCCCC1	775143653	AMCBCCVZOUEIKC-MAUKXSAKSA-N	401.429	3.720	10	20	HHCD	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccc(N(C)C)cc1	775405772	VBDUCPIESZIQDK-HNNXBMFYSA-N	417.465	3.633	10	20	HHCD	
CC(C)N1C(=O)C[C@@H](C(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1	776473279	IDFMIMUMAUXGLU-QRWLVFNGSA-N	404.869	3.799	10	20	HHCD	
COCC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(C)o1	778620154	IMVYHBINNRRBNN-IBGZPJMESA-N	403.548	3.718	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1csc(Cc2cccc(F)c2)n1	779888047	QJSYUVLLARGMRB-UHFFFAOYSA-N	411.502	3.640	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1cccc(Br)c1	780357304	CKXPAOCKWOOHDG-JKSUJKDBSA-N	405.336	3.742	10	20	HHCD	
Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1NS(C)(=O)=O	782772087	GURKINSDSANNFX-UHFFFAOYSA-N	418.563	3.875	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCN(C3CCOCC3)C[C@H]2C)c1C	785982157	VZGNRJLWMLEIHI-HXUWFJFHSA-N	409.574	3.770	10	20	HHCD	
Cc1ccc(O[C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	788415320	ZXKFNFJSDOJBQE-FQEVSTJZSA-N	423.557	3.527	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CO)c2ccccc2OC(F)(F)F)c1O	793349775	WOEOQDKMMNYUBG-GFCCVEGCSA-N	406.744	3.676	10	20	HHCD	
COc1cccc(C(=O)CCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	794246044	BLRUQEKJXDLZSA-GOSISDBHSA-N	410.514	3.762	10	20	HHCD	
COc1ccc(CNC(=O)/C(=C/c2ccc(O)c(OC)c2)c2ccccc2)c(O)c1	794388619	YLMOIFTVWVCQAJ-UDWIEESQSA-N	405.450	3.972	10	20	HHCD	
CCC[C@]12CCCN1C(=O)N(Cc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)C2=O	794770890	DEVMKMVRQGRBMU-XCGNWRKASA-N	403.498	3.536	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc4cc(OC)ccc4c3)CC2)cc1	795288017	YIFCAMKTQNBXIN-UHFFFAOYSA-N	405.498	3.618	10	20	HHCD	
O=C(COC(=O)c1cnn2c1OCCC2)Nc1ccc(N=Nc2ccccc2)cc1	795747830	VSXLKIUCDKHACW-UHFFFAOYSA-N	405.414	3.877	10	20	HHCD	
COc1ccc(N(CCC(C)C)CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1	796506245	WOJLXBRCXXUWLE-UHFFFAOYSA-N	404.532	3.590	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3ccnn3-c3ccccc3OC)SC2=S)cn1	797399062	TTZLIHOKCSNMBS-LICLKQGHSA-N	411.512	3.503	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c(O)c1	797628266	VORZLCXOKYDUAM-UHFFFAOYSA-N	410.430	3.637	10	20	HHCD	
C[C@H]1C[C@@H](NCCCNS(=O)(=O)c2ccccc2Cl)c2c(O)ccc(F)c21	798934599	DGRUUFGTLBXOLI-SWLSCSKDSA-N	412.914	3.691	10	20	HHCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799908265	VJCMOWZVXFKXCH-OWCLPIDISA-N	408.974	3.679	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(c2nnc(Sc3ncc([N+](=O)[O-])s3)n2Cc2ccco2)C1	799927663	DOBLUZHDCUAKPW-VXGBXAGGSA-N	420.520	3.918	10	20	HHCD	
COCC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1	800052749	HXTPIWDLEUWGGC-PTNGSMBKSA-N	424.613	3.662	10	20	HHCD	
CCc1ncsc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800637145	UIIWPDKYDRBJJG-ZDUSSCGKSA-N	420.966	3.850	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(NS(=O)(=O)CCC)cc1	801548376	UJDKJYHCANLPBN-UHFFFAOYSA-N	404.532	3.986	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)c2ncccc12	802610302	ZETGZKITXTXSDA-UHFFFAOYSA-N	407.470	3.716	10	20	HHCD	
CS(=O)(=O)c1cccc(Br)c1NCCCSc1nccs1	804453406	XUGHZXGZWWGLAJ-UHFFFAOYSA-N	407.380	3.903	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)Cc1cccs1	807627373	PSJMQCJMFDWZSS-QGZVFWFLSA-N	401.576	3.546	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1O	808437479	PJPKFEPQVMNNBK-RDTXWAMCSA-N	405.336	3.916	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2COC(=O)NC2CCCCC2)c1O	809780470	YOFWGPCTKUMQIW-QGZVFWFLSA-N	421.494	3.722	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCCOCc1ccccc1	809809576	RXENJGSOZXRLRU-UHFFFAOYSA-N	404.576	3.900	10	20	HHCD	
Cc1cc(C(=O)COn2nnc3cccnc32)c(C)n1-c1cccc(C(F)(F)F)c1	814264874	BITMJMYNJZIXKS-UHFFFAOYSA-N	415.375	3.564	10	20	HHCD	
COc1ccc(OC)c(NC(=N)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	849069294	BCMWPVPVGIHTFV-GASCZTMLSA-N	416.497	3.593	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCCCC2)SC1=S	915850047	QJKXARKMJRONJW-WJDWOHSUSA-N	413.524	3.511	10	20	HHCD	
CCCC(=O)NC1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1	916221075	NANHIUDJIVUWGD-UHFFFAOYSA-N	410.562	3.727	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1	916577410	VSJQHKPFJCDSPM-QGZVFWFLSA-N	400.489	3.558	10	20	HHCD	
CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)s1	917218223	AOZTULUWIDICMY-UHFFFAOYSA-N	407.542	3.617	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cc2F)C[C@@H](C)O1	918140741	PHSMAFAJBWNITG-CALCHBBNSA-N	424.520	3.955	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(=O)n(C)c2)c(C)n1-c1ccc(C(C)C)cc1	919199063	GPOPJQSBNKMLGN-UHFFFAOYSA-N	406.482	3.956	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(CC)[C@H](C)c3cc4ccccc4o3)nc12	920087270	HUOKPMSQQPYPDL-CQSZACIVSA-N	408.458	3.941	10	20	HHCD	
COc1ccc(Nc2ccccc2N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)cc1	920977664	GWFCSXMUJAWUAG-SFQUDFHCSA-N	424.526	3.634	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(=O)n(C)c2ccccc12	1319607044	MCKOCNYXGXHBAA-UHFFFAOYSA-N	415.287	3.669	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(C(=O)NC4CCCC4)cc3)cc2F)CC1	1326486658	DRJPXQCYIAIHDF-UHFFFAOYSA-N	410.537	3.862	10	20	HHCD	
CC(C)C(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1	1787638626	GQJMITQZVZYJFB-UHFFFAOYSA-N	418.497	3.569	10	20	HHCD	
CCOC(=O)c1c(C)[nH]c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1C	17473571	YCQUOBDQPXDUSN-UVTDQMKNSA-N	424.544	3.654	10	20	HHCD	
CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)s1	24840469	ZUMWOANFOCWLJM-UHFFFAOYSA-N	410.495	3.831	10	20	HHCD	
C[C@@H](NC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(N2CCOCC2)cc1	111136451	SXQFBSDZPHKPMD-CYBMUJFWSA-N	400.429	3.828	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C1	435823884	BJGSIFDJOZBESN-QPPBQGQZSA-N	419.573	3.904	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C(=O)N(C)C)ccc3OC)ccc21	483439210	NMRZAIQCPBEYTP-UHFFFAOYSA-N	423.513	3.867	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N2CCc3c2cccc3C(F)(F)F)n(C)c2ccccc12	527465477	SAJDDKPRQOTWQF-UHFFFAOYSA-N	415.415	3.711	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2ccccc2O)c(C)n1-c1ccc2c(c1)OCCO2	725937501	BJGOBRYMSLPJLW-UHFFFAOYSA-N	421.449	3.540	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(CCc2ccccn2)C1=O	726197188	NRSNOKFTUKVBMD-SFQUDFHCSA-N	415.496	3.832	10	20	HHCD	
Cc1ccc(C(C)(C)CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	728595924	DEAMGHSPHKIBLT-UHFFFAOYSA-N	409.574	3.981	10	20	HHCD	
CCN(C(=O)/C=C\c1cncc(F)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1	729652891	LUZATZBMCRMTEM-BAQGIRSFSA-N	402.369	3.581	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)cc2)CC1	731016501	JQHRGJPWRPRSHD-UHFFFAOYSA-N	419.525	3.502	10	20	HHCD	
CC(C)N(C)c1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	731754774	DLRZLYFWWZDSLR-UHFFFAOYSA-N	400.498	3.829	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc[nH]3)cc2F)C[C@@H](C)O1	734270172	QDBWULNZSJOLDL-MRUHUIDDSA-N	400.498	3.814	10	20	HHCD	
COc1ccc(C=O)c(OCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1	734427548	PJAMSTILFPGZII-UHFFFAOYSA-N	410.514	3.972	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Cl)c1	742334748	STPILVBXGXRVTK-AWEZNQCLSA-N	416.877	3.889	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1	743159645	XJZVHDYOSYVPCE-UHFFFAOYSA-N	410.430	3.562	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2	745126840	QSLDMYHMBATBPP-HNNXBMFYSA-N	409.438	3.988	10	20	HHCD	
O=C(NCC1(O)CCCCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745904163	MSLLKXNGYWLZME-MRXNPFEDSA-N	411.493	3.641	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCc3cc(C)cc(F)c32)c1	746709264	MALQPLQLZBGVBH-UHFFFAOYSA-N	412.505	3.827	10	20	HHCD	
Cc1ccc(-c2csc3ncn(CCC(=O)NCc4ccccc4O)c(=O)c23)cc1	748350658	ZXNZBXDPOLMWDZ-UHFFFAOYSA-N	419.506	3.846	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ncccc1OCC(F)(F)F	752512867	YOVZAJWNKYHTOL-UHFFFAOYSA-N	411.449	3.506	10	20	HHCD	
C[C@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1O	756644033	XYTHTUNOQWZKOI-ZDUSSCGKSA-N	412.471	3.538	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3cc(C)ccc3C)CC2)cc(OC)c1OC	758920962	JIDSACOQOCXFAG-UHFFFAOYSA-N	415.559	3.848	10	20	HHCD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	763941658	YVJFQBRQCRQXNS-UHFFFAOYSA-N	419.478	3.613	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)c1	773046912	HCYIYRMJFHAOCV-RDJZCZTQSA-N	408.502	3.886	10	20	HHCD	
COc1ccc(/C=C\C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1O	773195483	TZUNTZVHTJKNAU-XKGFZTIGSA-N	418.440	3.801	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(N(C)C)cc1	773207987	FDITZAFETLIQFR-AQNXPRMDSA-N	424.589	3.922	10	20	HHCD	
C[C@H](NC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773284035	QAEQUTBGEXQZLC-IRXDYDNUSA-N	404.555	3.760	10	20	HHCD	
CCN(Cc1ccc(N(C)CC)cc1)Cc1nc(O)c2cc(OC)c(OC)cc2n1	773729286	AAFAZNWZODEVAD-UHFFFAOYSA-N	410.518	3.831	10	20	HHCD	
CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O	775365539	WBKJPVWUTWBEBY-OLZOCXBDSA-N	420.531	3.879	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc4occ(C)c4c3)CC2)cc1	775447298	OGUDGSZMHLAHJU-MDZDMXLPSA-N	419.481	3.593	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21	775507282	JRJULZVXDAYFCU-SFHVURJKSA-N	423.376	3.832	10	20	HHCD	
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1	777266144	NTFSBFUHAKCNHU-PKOBYXMFSA-N	404.555	3.541	10	20	HHCD	
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ccc(O)c(O)c1	778927301	OJXIHXMNZUYWSU-UHFFFAOYSA-N	417.440	3.949	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2csc(N)n2)c(C)n1-c1ccc(OC(F)F)cc1	779117805	ZXMPPLOHYMKLNP-UHFFFAOYSA-N	421.425	3.774	10	20	HHCD	
COC(=O)Cc1sc(NC(=O)/C=C\c2ccc(O)c(O)c2)nc1-c1ccccc1	779497228	DYCBGQWAPIYJDB-NTMALXAHSA-N	410.451	3.589	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c(O)c1O	780915993	CGLIYSMOROVJMC-UHFFFAOYSA-N	402.450	3.790	10	20	HHCD	
O=C(COC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1ccc(O)c(O)c1	784170463	JTKWCUMTNHDZRK-UHFFFAOYSA-N	416.842	3.732	10	20	HHCD	
O=C(NCCCOC1CCCCC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	785538034	JSGQSCIOUGMGHT-UHFFFAOYSA-N	416.562	3.909	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3nc(C)nc4sc5c(c34)CCC5)cc2)CC1	786071179	DRYLBXAWLJSMJR-UHFFFAOYSA-N	421.570	3.769	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3oc4c(C)ccc(C)c4c3C)cc2)CC1	786258664	FWHHJTUMQVFVJK-UHFFFAOYSA-N	419.525	3.957	10	20	HHCD	
COC(=O)c1cccc(NC(=O)CN(C)c2ccc(OCc3ccccc3)cc2)n1	787309235	BLYFRKYCNPFIPP-UHFFFAOYSA-N	405.454	3.522	10	20	HHCD	
CCOc1ccccc1[C@](N)(C(=O)NCCCSc1nccs1)C(F)(F)F	788000376	RWBOJBNGVCDOTK-INIZCTEOSA-N	419.494	3.557	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1	790833986	HPEDPXRYEWYUKR-GOSISDBHSA-N	410.562	3.786	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ncccc1Br	793689127	JTQNHZGYPLSFLL-CQSZACIVSA-N	424.726	3.598	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	795354150	PSJGUNQIEMOPSG-UHFFFAOYSA-N	420.270	3.685	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@](C)(O)CCc1ccccc1	801169221	QDFCUKLXSYZFHE-HXUWFJFHSA-N	406.320	3.887	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1)c1nc(C)cs1	804885502	BOEYMFWHVFOMLQ-SFHVURJKSA-N	402.564	3.524	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(CC(F)(F)F)CC1	806457499	NJCRZAFQALDWPS-UHFFFAOYSA-N	417.447	3.661	10	20	HHCD	
C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CN(C(=O)OC(C)(C)C)C1	807836973	WIPVRRNFXMLXJT-JTQLQIEISA-N	403.306	3.818	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cncc(I)c1	807838329	PCYUGCMNDSKGBE-UHFFFAOYSA-N	423.037	3.629	10	20	HHCD	
CCCN(CCC)c1ccc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1	809784610	MKCDTMKYFKFLMG-HXUWFJFHSA-N	407.624	3.607	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1	811823073	LHEOKKXKCYAURC-UHFFFAOYSA-N	424.450	3.605	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c(C)n1-c1ccccn1	914907151	RQVAWQDKTQCTKV-KRWDZBQOSA-N	409.461	3.832	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	915749052	PEEYUAJGEUMESG-UHFFFAOYSA-N	420.469	3.608	10	20	HHCD	
CCN(Cc1cccs1)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	916197418	YXAFNULPXALVGF-UHFFFAOYSA-N	416.591	3.501	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)cc1	918430339	XVVKTSWICABIBL-UHFFFAOYSA-N	423.435	3.729	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)cc1	918434915	WAILIOFUPZKEAA-UHFFFAOYSA-N	422.573	3.774	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(OCCC(N)=O)cc3)c2C)cc1	918580314	NRPRQIHNQGALLN-UHFFFAOYSA-N	407.470	3.609	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3COC4=O)n2)s1	918743392	PXEFXGRZIOCSHA-UHFFFAOYSA-N	406.510	3.905	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(-n3cncn3)nc2)c(C)n1-c1cccc(Cl)c1	919982445	VIHODNKUYMKNTF-UHFFFAOYSA-N	406.877	3.653	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCc3nc[nH]c3C2)sc(C)c1-c1ccccc1	929074494	ZJHPPSSWCMGNQS-UHFFFAOYSA-N	424.526	3.620	10	20	HHCD	
COc1cc(Cl)cc(CN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c1O	1116583782	RTNVVIMGXYCVHB-UHFFFAOYSA-N	414.889	3.562	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCCN(Cc4cc(C)on4)CC3)c2C)cc1	1318254307	YXIJWZKZAYABIJ-UHFFFAOYSA-N	422.529	3.747	10	20	HHCD	
COC(=O)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n(-c2ccccc2)n1	1324012467	MCNDICVOSVEDLD-UHFFFAOYSA-N	420.252	3.601	10	20	HHCD	
O=[N+]([O-])c1cccc(-c2noc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)n2)c1	303404671	SJWFOHUGUAXVDM-SFHVURJKSA-N	410.430	3.532	10	20	HHCD	
Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2F)n1	303443418	IDOYBWXHJNPYCT-UHFFFAOYSA-N	422.504	3.737	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)Oc1cccc(Cl)c1	303483691	JOAFMPZAYJKXIN-UHFFFAOYSA-N	402.922	3.993	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cnn1Cc1ccccc1	303695466	NCQCXCFSAGMDNU-OAQYLSRUSA-N	405.498	3.767	10	20	HHCD	
Cc1c(CNC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)n(C)c2ccccc12	472243592	VEEGPJIFBOZWMZ-HXUWFJFHSA-N	408.477	3.573	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc21	482271822	XBCZBKXILJTVGA-UHFFFAOYSA-N	400.500	3.560	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc21	540100513	KRBHOUJRPNYOIQ-UHFFFAOYSA-N	420.557	3.946	10	20	HHCD	
CCOc1ccccc1[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)NC(C)=O	728234405	JOHHALNEHNLIMM-QHCPKHFHSA-N	423.557	3.910	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NCCc3ccccc3C)ccc21	728637448	LLPZZCSSRRBOHE-UHFFFAOYSA-N	422.525	3.729	10	20	HHCD	
CC(C)[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCCC1	729359493	GSFDQBWMCNZNEI-HXUWFJFHSA-N	409.521	3.884	10	20	HHCD	
Cc1ncsc1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	729405831	FUVHBKVAJAAPSN-MDWZMJQESA-N	423.610	3.811	10	20	HHCD	
CCN(CCc1ccccn1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	729611799	QBAYMEHHTJLIID-UHFFFAOYSA-N	418.488	3.926	10	20	HHCD	
CN(CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC(F)(F)F	732704171	MPLRTSPOKXQOEZ-UHFFFAOYSA-N	407.396	3.651	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(CCCc3ccccc3)c2)c1	734073008	ZKZGHAJTQUWWPE-UHFFFAOYSA-N	418.493	3.831	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1	734740715	RCIYJBBZWUBROD-UHFFFAOYSA-N	420.516	3.734	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c1	735113716	RXQWDKRDWWFEGU-UONOGXRCSA-N	421.444	3.641	10	20	HHCD	
CC(C)COc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cn1	735174138	KIHBUFPFPAUJPE-UHFFFAOYSA-N	400.548	3.991	10	20	HHCD	
O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccco1)Cc1ccccc1O	735930636	OACHGGZQJVNANW-UHFFFAOYSA-N	418.409	3.922	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCCN1Cc1ccccc1	741143961	CSDBMKLWRZVTDD-XMMPIXPASA-N	407.558	3.536	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1nc(N)nc(Nc2ccc(F)cc2)n1	741712874	ZAESWGXDUZQYLQ-UHFFFAOYSA-N	421.524	3.959	10	20	HHCD	
C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCSCC2)cc1	742553409	FUAFYFWBDHVRFX-INIZCTEOSA-N	400.519	3.904	10	20	HHCD	
CC(=O)NC[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)C1	742614400	HBZWYCPMXXNCRN-HXUWFJFHSA-N	407.558	3.614	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CCc2ccco2)NC(=O)OC(C)(C)C)cc1	742755933	ZRRBEGXVYNNQOQ-IBGZPJMESA-N	401.507	3.660	10	20	HHCD	
CCOc1ccc(-c2noc(CCC(=O)NCc3c(O)ccc4c3CCCC4)n2)cc1	743718596	HHSKNHUXQKSPAZ-UHFFFAOYSA-N	421.497	3.969	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2noc(-c3cccc(F)c3)n2)cc1	746019033	UCAZEMCZDGPPEJ-HXUWFJFHSA-N	424.476	3.763	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(CCc1ccccc1)C1CC1	746947677	RYZKNSODYGQVDW-UHFFFAOYSA-N	411.521	3.704	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)Oc2ccccc2Br)c1	748977868	NHUVJXNIJOGLRW-QWHCGFSZSA-N	423.307	3.991	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3ccc(Br)c(F)c3)CC2)cc1	751841586	IIAIMGYSDYBWGD-UHFFFAOYSA-N	421.310	3.925	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(Cn3ccnn3)CC2)c(C)n1-c1ccc(Cl)cc1	753206328	INZFAEHSAOQSEJ-UHFFFAOYSA-N	411.937	3.820	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1F	753738168	MHUBWWIQXWHZKE-AWEZNQCLSA-N	419.478	3.572	10	20	HHCD	
COC(=O)c1cccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1Br	755506506	CRBLVJXRUWAFPW-SNVBAGLBSA-N	423.263	3.833	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2csc([C@@H]3CCCO3)n2)cc1	755788122	FRHZWKQBYBXXMW-ICSRJNTNSA-N	415.559	3.882	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)cc1	756470262	NOIHFVQXMSKPGO-KDOFPFPSSA-N	406.523	3.900	10	20	HHCD	
CCC[C@@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)C(=O)N1CCc2sccc2C1	756536107	PNAYYLWIPYYWPR-RDTXWAMCSA-N	416.543	3.645	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@H]3Cn3cnc4ccccc43)ccc21	756695723	UJHGDDQXOZXFJZ-FQEVSTJZSA-N	403.530	3.793	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1nc(-c2ccc(F)cc2)cs1	759594125	LAPWBKLJWUNQHW-WAPJZHGLSA-N	414.414	3.556	10	20	HHCD	
C[C@@H](NC[C@@H](CO)Cc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O	760031803	FPZMEZKTSLDHJC-OCCSQVGLSA-N	409.280	3.565	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCNC(=O)C2)c(C)n1-c1ccc(Cl)c(Cl)c1	761217247	XEKGQLUFMKXFOP-ZDUSSCGKSA-N	423.296	3.653	10	20	HHCD	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCCc1ccc(O)c(O)c1	761631533	UVVGQNJDSRPCHR-INIZCTEOSA-N	411.502	3.785	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1	761649233	QVQMLHFDZUKXCV-IAGOWNOFSA-N	421.501	3.695	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](OCc4ccccn4)C3)c2C)cc1	761751780	BJSTVFHUIXFCNB-QFIPXVFZSA-N	405.498	3.929	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(Br)ccc1F	762000930	RKAZCWLUWBMBFH-UHFFFAOYSA-N	404.257	3.882	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](Nc4ccccc4)C3)CC2)cc1	764353246	NXKKMPLZKXQJKG-OAQYLSRUSA-N	408.546	3.950	10	20	HHCD	
COc1ccc(C(C)(C)C(=O)NCc2cccc(Br)c2O)cc1OC	765751101	NRJCAZZIMYAXFY-UHFFFAOYSA-N	408.292	3.766	10	20	HHCD	
CCOc1ccc(Cl)cc1[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765979904	WPXHNOVMDFWYNX-INIZCTEOSA-N	422.978	3.824	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCOC4(CCOCC4)C3)c2C)c1	767905385	LGKSIKVGQQRVCH-UHFFFAOYSA-N	414.571	3.880	10	20	HHCD	
C[C@@H](Nc1ccc2c(c1)COC2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	768302545	IAQRFMMUOYEOAE-CQSZACIVSA-N	412.445	3.931	10	20	HHCD	
Cc1ccc(NC(=O)C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)nc1	768535890	FCIIZBNNXGOIKZ-UHFFFAOYSA-N	404.854	3.508	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1	771658827	WGWVQBHLTUZBQT-LJQANCHMSA-N	410.606	3.973	10	20	HHCD	
COC(=O)CSCCNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772688106	NWUMGLBYQOWFTH-UHFFFAOYSA-N	400.504	3.804	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1	773741431	ZBAKBSVRSOLEFH-NSHDSACASA-N	412.364	3.570	10	20	HHCD	
Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773856814	LOFYUICBMVFAFH-ZDUSSCGKSA-N	404.308	3.639	10	20	HHCD	
COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1F	782106623	KQDXBGPUNSCGET-UHFFFAOYSA-N	413.493	3.858	10	20	HHCD	
O=C(OCCO[C@H]1CCCCO1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	787579347	SYKWCDODIKRQPZ-KRWDZBQOSA-N	414.841	3.815	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3cc(OC)ccc3OC)CC2)cc1	788092380	WZKVHPUPOFLUIE-RBBKRZOGSA-N	410.514	3.601	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)c1	789274722	VHESFASVRHEXAF-CYBMUJFWSA-N	410.478	3.557	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(C(=O)OCc2ccccc2)cc1	793198196	AEFXSYLHLIMAGO-LCYFTJDESA-N	403.434	3.784	10	20	HHCD	
CC[C@H](C)NS(=O)(=O)c1cccc(NCc2cc(Br)ccc2O)c1	796428920	HVWZCVQSLNPHMR-LBPRGKRZSA-N	413.337	3.844	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C(F)(F)F)s1	796814888	SVNQUEFKNSSFDQ-UHFFFAOYSA-N	402.413	3.797	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccncc1OCC(F)(F)F	798522990	BYKHBIQWNTYCKG-UHFFFAOYSA-N	410.440	3.820	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)ccc21	799253544	MMUFLAZBXZVUGS-UHFFFAOYSA-N	410.276	3.770	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCn4ccnc4C3)cc2Cl)C1	799976950	XZISZGHPCUHDCV-RDJZCZTQSA-N	401.942	3.587	10	20	HHCD	
CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)c1csc(-c2cccs2)n1	800293091	XBHMQTQYIARZIN-UHFFFAOYSA-N	403.481	3.987	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3ccc(C)cc3-c3ccnn3C)cc2F)CC1	801723220	TXGSHCOMQZMCIQ-UHFFFAOYSA-N	421.564	3.966	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1CCN(C(=O)OCC)CC1	802299996	OOKAUQXDVQNVSK-QGZVFWFLSA-N	405.539	3.961	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)c(C)n1	802609858	LFRYVCWOTKFMOX-UHFFFAOYSA-N	420.307	3.626	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2)c1ccc(N)cc1	808937740	LCBUDGLYIJSGFP-HNNXBMFYSA-N	415.449	3.672	10	20	HHCD	
COCCCNC(=O)C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1	809550407	HVFARYXCMJGUFC-UHFFFAOYSA-N	421.585	3.614	10	20	HHCD	
COc1ccc(-c2csc(NS(=O)(=O)c3ccc(N(C)C)nc3)n2)cc1Cl	811823470	XMQWUXLCNYQQJP-UHFFFAOYSA-N	424.935	3.734	10	20	HHCD	
CC(C)n1ncc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cnc21	812033137	XWVIAZJRPSXIOP-JOCHJYFZSA-N	421.545	3.900	10	20	HHCD	
CCOC(=O)c1cc(COC)cc(NCc2ccc(N3CCOCC3)c(F)c2)c1	814174978	FCEPHSRVTYBIQX-UHFFFAOYSA-N	402.466	3.598	10	20	HHCD	
COc1cc(Cl)cc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c1O	816668167	HMKSYSTZASUQST-UHFFFAOYSA-N	404.315	3.661	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c(C)n1-c1ccccn1	914903124	FWOIOWIOTKRNAT-OAQYLSRUSA-N	407.445	3.805	10	20	HHCD	
Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	916456269	BBYRQTCVKOZPJX-INIZCTEOSA-N	422.447	3.934	10	20	HHCD	
CCN1C(=O)/C(=C/c2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])SC1=S	921261344	MNZIEONDODHKRW-XGICHPGQSA-N	422.406	3.766	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCNC(=O)c1ccccc1C(F)(F)F	1318330606	STSVPWCRHYFJDW-UHFFFAOYSA-N	423.435	3.763	10	20	HHCD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1318924122	RFJWSJCPNNSWGN-CZUORRHYSA-N	406.477	3.592	10	20	HHCD	
Cc1cc(Cl)cc(C)c1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1319467241	KJJMBADUOMWMEM-QGZVFWFLSA-N	414.937	3.980	10	20	HHCD	
C[C@H]1CN(Cc2ccc(C(=O)Nc3c(Cl)ccc4nonc34)cc2)C[C@H](C)O1	1323481612	CFDAUKSPAVHAQS-STQMWFEESA-N	400.866	3.738	10	20	HHCD	
COc1cc(F)cc(F)c1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2	1339326820	CAVPXUBMFSSLPX-UHFFFAOYSA-N	410.423	3.790	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cnn(C4CCCC4)c3C)cc2F)CC1	1341359953	CTXYYDBKXSQUSQ-UHFFFAOYSA-N	413.541	3.518	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1	38588969	JAFKXGVRQJVPDO-UHFFFAOYSA-N	422.451	3.658	10	20	HHCD	
CCOc1ccc(SCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	65561046	STVHBGUNWRTJLP-KRWDZBQOSA-N	400.544	3.891	10	20	HHCD	
Fc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(F)c1	139820491	QKBMNVMIRSQOHJ-UHFFFAOYSA-N	413.447	3.510	10	20	HHCD	
CCc1nc(COc2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)cc2)no1	303572704	BXPCWYBBQCXXAV-UHFFFAOYSA-N	406.486	3.523	10	20	HHCD	
Cc1c(CNC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n(C)c2ccccc12	472228421	FJIGJHAGCIUCRX-IBGZPJMESA-N	418.541	3.838	10	20	HHCD	
CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1	486017543	PCDMCWJUXQVBKN-FQEVSTJZSA-N	413.562	3.673	10	20	HHCD	
CN(CCC1CCCCC1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	726103868	VZMDLHPJDWORER-HXUWFJFHSA-N	400.567	3.500	10	20	HHCD	
CNC(=O)C1CCC(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	726190963	RDZNLKKRFWPANI-UHFFFAOYSA-N	400.567	3.560	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)c1	726627626	PFWZGYFDFACZCJ-VCHYOVAHSA-N	415.492	3.881	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cc(-c2ccccc2)on1	726848481	AJQVBHOOPLDXPC-UHFFFAOYSA-N	408.527	3.894	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)n2)c[nH]1	727247770	MMZXMDWNLLWVSZ-UHFFFAOYSA-N	419.528	3.959	10	20	HHCD	
CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	728471246	YNWGSQXFIDYYMZ-GOSISDBHSA-N	420.513	3.599	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CCCN(C)C2)c(C)n1-c1ccc(Br)cc1	731024866	JNAIFGZKQDCIGO-INIZCTEOSA-N	404.352	3.928	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC(F)F)cc3)cc2)CC1	731131121	ATWIOALYDBEZGT-UHFFFAOYSA-N	417.456	3.779	10	20	HHCD	
O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)N(Cc1ccco1)Cc1ccccc1O	732893480	OPIVXGGWPHCTHV-LJQANCHMSA-N	423.444	3.642	10	20	HHCD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	732934230	BVYJLDZWUMDZSA-UHFFFAOYSA-N	406.885	3.790	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-c2nccc(C)n2)c1	734693901	YTNGCKFHGXGZJP-UHFFFAOYSA-N	417.513	3.505	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C	735686245	BXIFQVXAXRMOQB-TZIWHRDSSA-N	403.567	3.506	10	20	HHCD	
Cc1cc(Br)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)s1	742276810	NIIABERFHZLDAI-UHFFFAOYSA-N	415.378	3.898	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)c(F)c1	742334235	HIGVNLXELCZZQI-GFCCVEGCSA-N	418.412	3.514	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)c(F)c1	742334236	HIGVNLXELCZZQI-LBPRGKRZSA-N	418.412	3.514	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)cc1	743205725	RDBLQTUSJKHYLH-UHFFFAOYSA-N	421.545	3.897	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCC(CC)(CC)SC)cc2F)CC1	743698597	SDJZVUCPYJUSPH-UHFFFAOYSA-N	410.603	3.689	10	20	HHCD	
O=C(NCCn1c(=O)oc2ccccc21)N(Cc1ccccc1O)C1CCCCC1	745809036	OWIYGPSPKOIJMW-UHFFFAOYSA-N	409.486	3.845	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1Cl	746037149	FIOLHRIZGSORIN-MRXNPFEDSA-N	402.878	3.500	10	20	HHCD	
CC[C@H](c1ccccc1)N(CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	746143648	FLPDQVFDKLJWNE-JOCHJYFZSA-N	413.537	3.752	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1O	746149132	XTLIHUCPISSAEE-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
O=C(CSCc1cscn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	747590178	CHQVDJQBMDZGFV-HNNXBMFYSA-N	411.980	3.516	10	20	HHCD	
CN(C)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(F)c1	751843954	ZMETVZMLVVHEMJ-UHFFFAOYSA-N	407.436	3.892	10	20	HHCD	
Cn1c(Cl)nc(Cl)c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F	752261130	SEMJPULVGCLFDP-UHFFFAOYSA-N	423.266	3.872	10	20	HHCD	
Fc1cc(F)cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1	756013942	QMJRBPDQIXXXOG-UHFFFAOYSA-N	413.447	3.510	10	20	HHCD	
Cc1ccc([C@@H](C)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)c(O)c1C	756462918	BICSAXGNKQBYQB-UYAOXDASSA-N	412.530	3.534	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1Cl	761629411	XFXBFSPDIHRVTH-UHFFFAOYSA-N	405.882	3.597	10	20	HHCD	
CSC[C@H](CCO)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	761915711	VEKWPAYHCVCDTN-AWEZNQCLSA-N	411.365	3.700	10	20	HHCD	
CC(C)n1cccc1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	763895002	OLMCMJUGDZSGQF-UHFFFAOYSA-N	416.433	3.640	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cc1OC(F)F	765252836	JEVIZJXZZVCDNP-ZBFHGGJFSA-N	421.463	3.980	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccoc2Cl)NC(=O)OC(C)(C)C)cc1	765365654	CICYCBXPBVQTJS-MRXNPFEDSA-N	407.898	3.995	10	20	HHCD	
C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(-n2cnnn2)c1	765641083	LWKDBBXUGYHLQT-HNNXBMFYSA-N	414.460	3.583	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H]3C[C@H](O)c3cnn(C)c3)c2C)cc1	766954241	YAQFTJSLYQTYFK-UPVQGACJSA-N	420.557	3.907	10	20	HHCD	
O=C(CCOc1ccc(Cl)cc1Br)NCCc1ccc(O)c(O)c1	767775006	ODFDCRAHUVOWLS-UHFFFAOYSA-N	414.683	3.642	10	20	HHCD	
COc1ccc(N2CCN(Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CC2)cc1F	767902496	QGGDPVQJXAGCKS-UHFFFAOYSA-N	422.382	3.624	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1	768274576	GERAHBFWZNEVOT-HIFRSBDPSA-N	408.420	3.871	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)c1	768911203	PRSVWUXQVKUUJE-IRXDYDNUSA-N	411.502	3.831	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnc(-c3ccccc3)s2)cc1	768938758	RQLLFHVOEYSPHP-UHFFFAOYSA-N	408.527	3.911	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cnc(-c2ccccc2)s1	768940542	MCXNVBZWSPULJN-UHFFFAOYSA-N	406.511	3.665	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1Br	769260249	KVNXQPGEFFPEFP-UHFFFAOYSA-N	416.319	3.613	10	20	HHCD	
C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N(Cc1ccco1)Cc1ccccc1O	769530286	DIINNXXWBWLNGK-OAHLLOKOSA-N	403.479	3.610	10	20	HHCD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	771291848	XJIRFUNKBSRJSM-WOJBJXKFSA-N	419.566	3.564	10	20	HHCD	
CC(C)[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1	772118532	DBTBTEFBJRLNRE-BXWFABGCSA-N	411.493	3.760	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(N(C)C)cc1	773610642	FJWXDKWFNZUTRU-KRWDZBQOSA-N	417.513	3.960	10	20	HHCD	
COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c(OC)c1	775834651	BSJKJCNMEQAAFB-VGSWGCGISA-N	411.546	3.784	10	20	HHCD	
C[C@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1	776156985	PVUQFTBKIQMVMN-IBGZPJMESA-N	422.573	3.594	10	20	HHCD	
Cc1cc(-c2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c3c(C)noc3n2)c(C)o1	782635268	BFFXPROSPCCAOG-UHFFFAOYSA-N	422.393	3.859	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OCC(F)F)cc1	783316829	NXCZTFBCWJRPCX-UHFFFAOYSA-N	419.472	3.772	10	20	HHCD	
COC[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C[C@H](C)O1	783968197	OAPLGDOPWSMEJM-MAUKXSAKSA-N	409.482	3.710	10	20	HHCD	
COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784112971	QVVYIEPHXPLCDH-UHFFFAOYSA-N	409.486	3.526	10	20	HHCD	
Cc1cc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)no1	785969101	LRTJYLRLNLIDMZ-UHFFFAOYSA-N	418.396	3.961	10	20	HHCD	
CCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)C(=O)Nc1ccccc1C	786135682	XIXZFMVBAUZMDY-HXUWFJFHSA-N	424.589	3.759	10	20	HHCD	
CCC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)sc2C1	789435776	NAZZSFHFNZODSU-CYBMUJFWSA-N	418.538	3.508	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F	790416147	TUXGVWYTUBXJAB-UHFFFAOYSA-N	404.822	3.645	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCN(CC(F)(F)F)C2)cc1	791505354	AKUREMUBXFLDPB-KRWDZBQOSA-N	409.452	3.759	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)s1	791819385	WRMJVEZEQJPXCQ-UHFFFAOYSA-N	402.541	3.879	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)c(O)c1	792810999	DFZNNPXXXQNWEB-ROUUACIJSA-N	411.546	3.878	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1csc2ccccc12	795801357	IZBIGVTXMSQTDN-UHFFFAOYSA-N	404.582	3.933	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@H]2CCc3cnn(C)c3C2)c1C	798765619	NEALKNZWRFIWDL-SFHVURJKSA-N	405.498	3.667	10	20	HHCD	
C[C@H](NC(=O)Nc1cc(F)c(F)cc1N1CCOCC1)c1ccc(N(C)C)cc1	806716070	VJNYUFGNKVUNGF-AWEZNQCLSA-N	404.461	3.750	10	20	HHCD	
O=C(NCCCSc1nccs1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21	806958467	IJXVHPSMGVTTBT-SQNIBIBYSA-N	403.573	3.839	10	20	HHCD	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc4c3OCO4)SC2=S)cc1	917643215	VWZIKZWVLDNSMD-MHWRWJLKSA-N	413.476	3.998	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC(F)F)cc1	918214516	XWSYCUYLYBMYHG-CQSZACIVSA-N	423.435	3.824	10	20	HHCD	
COc1cc(C2=N/C(=C/c3ccc(N4CCCC4)cc3)C(=O)O2)cc(OC)c1OC	1317836189	GCPPTZVMIVAQOO-LDADJPATSA-N	408.454	3.657	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ncc(Cl)s1	1321490495	DHRFKTDLWWCYDK-UHFFFAOYSA-N	405.829	3.582	10	20	HHCD	
COc1cc(Br)c(OC)c(C(=O)NCc2ccc3c(c2)CCCN3C)c1	1338023756	WVPMOEYBZMVKQT-UHFFFAOYSA-N	419.319	3.779	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(OC)ccc3OC)CC2)cc1	1338846149	PEONWOQFIYYFRR-IFMALSPDSA-N	410.514	3.555	10	20	HHCD	
Cc1noc(C)c1CSCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	69435668	SBYVLFXNPDYYQR-FQEVSTJZSA-N	417.575	3.798	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3ccc(OC(F)F)cc3)CC2)cc1	110468651	SIOLCAZGMPTOFB-UHFFFAOYSA-N	419.472	3.807	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2sccc2S(=O)(=O)C(F)F)cc1F	303361519	QBXLKBVNFBYPND-UHFFFAOYSA-N	420.478	3.660	10	20	HHCD	
CCOCCCNC(=O)c1cccc(NC(=O)NCc2c(C)c3ccccc3n2C)c1	471204203	OWMQQOHRCJJLOX-UHFFFAOYSA-N	422.529	3.965	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCc2ccc(-c3ccccc3)o2)n(C)c2ccccc12	559911750	OVVGKKDMOUTRLP-UHFFFAOYSA-N	401.466	3.679	10	20	HHCD	
CN(C)CCOc1ccccc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	725850116	KVUPBVWYJHDRDB-UHFFFAOYSA-N	412.534	3.815	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	726239267	YNLSFAHPFYBMLJ-ZCNNSNEGSA-N	416.610	3.640	10	20	HHCD	
Cc1cc(Br)ccc1NC(=O)CCNC(=O)N(C)Cc1ccccc1O	726281543	YFUOAAIGZSMTHE-UHFFFAOYSA-N	420.307	3.633	10	20	HHCD	
COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726566385	XICQJSNEEDNEIR-UHFFFAOYSA-N	421.400	3.604	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](c3nc(C4CC4)no3)C(C)C)CC2)cc1	727943286	HUMZBHDCZUWYTD-IBGZPJMESA-N	413.522	3.575	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CCCN(C)C2)c(C)n1-c1ccccc1Br	731024981	HITRURFIGLTSKU-MRXNPFEDSA-N	404.352	3.928	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OCC4CC4)cc3)cc2)CC1	733666555	VGSKECIHCGTNGC-UHFFFAOYSA-N	421.541	3.967	10	20	HHCD	
COc1cc(F)c([C@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)cc1OC	734013516	QNCIEVWGVMXLJQ-AWEZNQCLSA-N	401.482	3.786	10	20	HHCD	
CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	734217501	YXEOAIHVQXVIIW-PMACEKPBSA-N	414.594	3.902	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cc(S(C)(=O)=O)ccc3Cl)cc2)CC1	740824148	ZROVFZKKVXBRAL-UHFFFAOYSA-N	420.962	3.910	10	20	HHCD	
COc1ccc(C(C)(C)CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC	740913650	CUNUPMQAKDRKQL-UHFFFAOYSA-N	409.530	3.857	10	20	HHCD	
Cn1cc(CNCCCSc2nccs2)c(-c2ccc3c(c2)OCCCO3)n1	741158020	YQYYLAJMSUMGAI-UHFFFAOYSA-N	416.572	3.977	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1	741256891	QIEVPJYASRVHEA-GOSISDBHSA-N	418.538	3.978	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CCCC(C)(C)CC3)cc2F)C[C@@H](C)O1	741805771	VATZYLWJQLLUKS-HDICACEKSA-N	405.558	3.568	10	20	HHCD	
Cc1cc(-c2cccc(F)c2)nnc1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	742396232	NVSZDKRQLKLUNW-LJQANCHMSA-N	419.504	3.905	10	20	HHCD	
Cc1cccc(N2C[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC2=O)c1C	742476124	KQMNCLSXISIVFS-NRFANRHFSA-N	405.542	3.963	10	20	HHCD	
CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1C	743045872	COXFBHFLRVVQIA-UHFFFAOYSA-N	421.504	3.661	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2c(F)cc(F)cc2Br)cc1OC	745984738	YPRVDWFWDMVOCA-UHFFFAOYSA-N	415.234	3.819	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cccc(CN3CCN(C)CC3)c2)cc1	746105212	QQAVFDZQYGJMNZ-UHFFFAOYSA-N	408.590	3.552	10	20	HHCD	
COc1cccc(CN(CC(C)C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1	746213941	DXYTWNZGORVCDR-UHFFFAOYSA-N	411.546	3.900	10	20	HHCD	
C[C@@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)c1cccc(F)c1	746279853	JBLHUQHVGCJMRF-KRWDZBQOSA-N	412.505	3.560	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1	748865045	NTICVMFMTORLEL-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(NC(N)=O)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1	750825551	INCMZWMLHMSMQW-UHFFFAOYSA-N	423.344	3.716	10	20	HHCD	
C[C@H](Oc1cccc(F)c1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	751403786	FPXRIPNQFJRRHD-JTSKRJEESA-N	400.494	3.867	10	20	HHCD	
CC[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Oc1cccc(C)c1	752004593	ISUCOISFHMFSAI-LJQANCHMSA-N	415.509	3.628	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cccc(N(C)C)n2)cc1	755096832	FBORYSUBGFAREO-UHFFFAOYSA-N	407.518	3.719	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(CC(N)=O)[C@H](C)c3ccccc3)c2C)cc1	758348473	VZHUAESVEDOVAZ-QGZVFWFLSA-N	405.498	3.791	10	20	HHCD	
O=C(NCCSCc1ccnc(Cl)c1)NCc1ccc(N2CC=CC2)cc1	758519900	ZESOFTZLYYWYAX-UHFFFAOYSA-N	402.951	3.844	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](c1ccc(F)cc1)[C@@H]1CCCO1	761117754	AACLDWWGTCXWJR-AZUAARDMSA-N	418.852	3.869	10	20	HHCD	
COc1cccc(C(C)(C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	761380964	VFBVOGUBJDRHAC-UHFFFAOYSA-N	402.878	3.796	10	20	HHCD	
CCCOc1cccc(CCNC(=O)NCc2cccc(Br)c2O)c1	764801980	WUGYHKRMALMYJE-UHFFFAOYSA-N	407.308	3.985	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	765124584	UFOZJGNGTZYXBH-QGZVFWFLSA-N	415.534	3.515	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccn(CCC(C)C)n3)cc2F)CC1	766137985	GVNWHXFZKCXNPN-UHFFFAOYSA-N	416.545	3.532	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(Cl)c1	768013099	OPAVNDFPVJKVKL-UHFFFAOYSA-N	405.951	3.673	10	20	HHCD	
CCc1ccccc1-n1cnnc1SCC(=O)N[C@@H](C)c1cc(OC)ccc1O	768909975	FWABINUHJNBGLS-AWEZNQCLSA-N	412.515	3.513	10	20	HHCD	
CC(C)OC[C@H]1CN(Cc2cc(Br)cc(Br)c2O)CCO1	770687123	COAMWNHGDOUMRQ-CYBMUJFWSA-N	423.145	3.543	10	20	HHCD	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1C	771132581	FMBMLOGNIMIULH-UHFFFAOYSA-N	423.491	3.872	10	20	HHCD	
COC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1	773506424	PGCRHNKKDUNARY-VFNWGFHPSA-N	419.472	3.549	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1Br	773856163	JPUAEDWOLWNQKV-CYBMUJFWSA-N	404.308	3.639	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1	774826057	FKAABNBJDAKXRS-UHFFFAOYSA-N	421.463	3.527	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NC[C@@H](O)COc2ccc(F)c(F)c2)c1O	779022277	QJNZPJRFRGUQBV-WCQYABFASA-N	416.262	3.832	10	20	HHCD	
Cc1cc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)c(C)n1-c1ccccn1	779249888	KKBPOCGZUSYXIU-UHFFFAOYSA-N	411.452	3.891	10	20	HHCD	
COCCOc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	784061188	MSSWTSOXFYGWHM-UHFFFAOYSA-N	411.502	3.598	10	20	HHCD	
CCOc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	785755557	RKUHEGKKRILXIT-GOSISDBHSA-N	411.546	3.766	10	20	HHCD	
O=C(CCCc1ccc(O)c(F)c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	787131540	OATTUMDFRGRRAK-SFHVURJKSA-N	420.912	3.994	10	20	HHCD	
C[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cccc(C(F)(F)F)c1O	788778758	YGSNIWIWJWIJPV-GFCCVEGCSA-N	406.412	3.757	10	20	HHCD	
CS(=O)(=O)Nc1cccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)c1	796262225	IYYJINGKXBCTEE-UHFFFAOYSA-N	421.566	3.911	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC	801596409	YPOAEWFBKGSRDB-INIZCTEOSA-N	413.518	3.989	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(C)C)CC1	802444051	JIXHAAXFAVLVNQ-UHFFFAOYSA-N	422.577	3.529	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(-c3ncccc3C)n2CCOC)cc1	802471490	CCEAJNYREPIYLU-UHFFFAOYSA-N	408.550	3.778	10	20	HHCD	
CC[C@H](NCCNS(=O)(=O)c1cc(C)sc1C)c1cccc(Cl)c1O	806149173	PWOPPGOQNASYFG-HNNXBMFYSA-N	402.969	3.743	10	20	HHCD	
CCOC(=O)COc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	806412021	IUXFREXHXHLNMS-UHFFFAOYSA-N	413.257	3.963	10	20	HHCD	
COc1cc(Cl)cc(CNc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)c1O	809684250	UQIIELKLJMEAHY-UHFFFAOYSA-N	410.923	3.724	10	20	HHCD	
COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2cc(Cl)cc(Cl)c2O)c1	809776223	ZAPBYTRZVOWFNL-NSHDSACASA-N	411.285	3.993	10	20	HHCD	
CC(C)OCc1nc([C@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)no1	811517920	DIFRMIMDYMXJJK-HNNXBMFYSA-N	403.483	3.744	10	20	HHCD	
Cc1ccc([C@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)c2cncn2C)cn1	816320409	TUUXJHIZOUFPEA-QFIPXVFZSA-N	401.470	3.872	10	20	HHCD	
COCCOc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	916690999	GHFXAHQILGLMCF-FQEVSTJZSA-N	400.475	3.631	10	20	HHCD	
CCCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	918041039	XAHQVCODSMOANH-FQEVSTJZSA-N	411.502	3.745	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCS(=O)(=O)Cc3ccccc3)c2C)c1	918129234	XJZWAKJWXIKMAA-UHFFFAOYSA-N	410.539	3.747	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3occc3-c3ccccc3)cc2)C1	918371150	FEYZBVVWQDOTSO-LJQANCHMSA-N	403.482	3.578	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc1	920186036	NPQASAHQWIQFHU-UHFFFAOYSA-N	424.888	3.848	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	1115954581	QVKHJVFUYXTWPL-SNTCSEMISA-N	420.500	3.704	10	20	HHCD	
O=C(Cc1ccccc1I)Nc1c(Cl)ccc2nonc12	1117551087	AZAVSVOWFBJERZ-UHFFFAOYSA-N	413.602	3.662	10	20	HHCD	
CCOC(=O)c1ncc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)s1	1256653895	XYJCGODSKMQPKW-UHFFFAOYSA-N	412.467	3.767	10	20	HHCD	
Cc1cc(C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)c(C)n1-c1ccccn1	1318727522	GTDKLHJHOMEAGV-OAHLLOKOSA-N	400.523	3.864	10	20	HHCD	
COc1ccccc1C1(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1	1318881581	CUILKKHPKBIPRQ-UHFFFAOYSA-N	413.493	3.550	10	20	HHCD	
Cc1cc(-c2nnc([C@H](NS(C)(=O)=O)C(C)(C)C)o2)c(C)n1-c1ccccc1	1322098996	LUCUPBBNVDQJSC-KRWDZBQOSA-N	402.520	3.781	10	20	HHCD	
O=C(/C=C/C1CCCC1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788427677	BTPSDBORSMXTLC-IZZDOVSWSA-N	421.497	3.987	10	20	HHCD	
COC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1	1800512457	WSKUFRBVYTVPET-UCMODRJZSA-N	423.557	3.628	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)CN3CCN(C)CC3)c2C)ccc1Br	22817016	PSRYKRLKJZRZCN-UHFFFAOYSA-N	404.352	3.595	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3ccc(Br)cc3F)CC2)cc1	109366169	YMBCDXANGZHOPF-UHFFFAOYSA-N	421.310	3.878	10	20	HHCD	
C[C@@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(N2CCOCC2)cc1	109557840	GCCOMEVBXHFHFN-MRXNPFEDSA-N	410.905	3.853	10	20	HHCD	
CCOc1ccc(CN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C(C)C)cc1	584431171	XWRVJXNNBZWCHZ-UHFFFAOYSA-N	421.541	3.939	10	20	HHCD	
COc1ccc2c(c1)=C(C)C(C(=O)Nc1ccc(-c3nc(C4CC4)no3)cc1C)=S=2	584863263	LEAVRDZKDJZXRS-UHFFFAOYSA-N	419.506	3.910	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)CC(=O)Nc3cccc(C)c3)CC2)cc1	726709621	VRVFZGKGXWLUIU-NRFANRHFSA-N	424.589	3.523	10	20	HHCD	
Cc1cccc(C)c1NC(=O)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731049864	SOKQPKRGKVXOTH-UHFFFAOYSA-N	408.546	3.978	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)C1(C(N)=O)CC1	731611213	RNZPRKNQTMHGFA-INIZCTEOSA-N	405.420	3.564	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc(N(C)C)cc2)cc1	733949685	QRXHZAJXBWYBOD-UHFFFAOYSA-N	423.538	3.792	10	20	HHCD	
CSc1cccc(N2C[C@@H](C(=O)NCCCSc3nccs3)CC2=O)c1	733974047	DOZJLOLMGBYMDT-ZDUSSCGKSA-N	407.586	3.517	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1	734015083	YRLLWEDDZNSOHP-UHFFFAOYSA-N	407.426	3.851	10	20	HHCD	
COC(=O)COc1cccc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1	734439221	BUCSKEUQNNZVDG-UHFFFAOYSA-N	410.445	3.715	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCc3ccc(O)cc3)cc2F)C[C@H](C)O1	735758523	KVCMTJRKSGYHOG-IRXDYDNUSA-N	415.509	3.577	10	20	HHCD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	742496747	CFHVFSFFAFLTPH-UHFFFAOYSA-N	424.932	3.943	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCCN(c3nc(C)ns3)CC2)c1	742850956	NBZAPXOPJIRXPP-UHFFFAOYSA-N	409.559	3.915	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)NCc1c(O)ccc3c1CCCC3)O[C@H](C)C2	743515366	WGYJBHSUTAUUNR-OAHLLOKOSA-N	410.514	3.993	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(N2CCOC2=O)cc1	743570340	SFWUYTGUUZGFJI-OAHLLOKOSA-N	409.486	3.788	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)CCOc3ccccc3)cc2F)CC1	744506982	YLKKWEXYAVOWHY-LJQANCHMSA-N	413.537	3.689	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc4c(c3)CCCN4C)ccc2NC1=O	745931277	IEWBNSJZNDEJHS-BTYIYWSLSA-N	422.529	3.739	10	20	HHCD	
COc1ccc(Br)c(CNC(=O)NCc2ccc3c(c2)CCCN3C)c1	746721756	KDXTVDQFSRQFOI-UHFFFAOYSA-N	418.335	3.840	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1O	750826110	JDFUIZANSKZHNV-HXUWFJFHSA-N	412.461	3.662	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c(OC)c1	752113866	SAEVNDQTAKHBSW-UHFFFAOYSA-N	406.866	3.593	10	20	HHCD	
O=C(NCCc1ccc(F)c(F)c1F)N(Cc1ccccc1O)C[C@H]1CCCO1	753284503	WQMMFJVECVAUSI-MRXNPFEDSA-N	408.420	3.743	10	20	HHCD	
Cc1nsc(N2CCCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)n1	753544167	IRJJKSOLTZIOCW-UHFFFAOYSA-N	410.543	3.843	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cnccc1-c1cccc(F)c1	753557886	LHXWWMWCAWCVLP-UHFFFAOYSA-N	419.456	3.727	10	20	HHCD	
Cc1cc(C(=O)NCCCNC(=O)C(C)C)c(C)n1-c1ccc(Br)cc1	756241926	AHKVZSLEOVVDIE-UHFFFAOYSA-N	420.351	3.749	10	20	HHCD	
C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1O	756535628	PFUOPVYMKLBLBM-LBPRGKRZSA-N	423.344	3.647	10	20	HHCD	
CCc1cc(N2CCC(N[C@@H](C)c3cc(Br)c(F)cc3O)CC2)ncn1	756639498	ZODPZRQWGBMJBI-LBPRGKRZSA-N	423.330	3.966	10	20	HHCD	
Cc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)s1	757550895	GYEFVPSPQJKOSD-UHFFFAOYSA-N	420.541	3.569	10	20	HHCD	
O=C1/C(=C/c2ccc(N3CCCC3)nc2)SC(=S)N1c1ccc2c(c1)OCO2	758414560	BLVXPFCVZHRFRS-MFOYZWKCSA-N	411.508	3.816	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCc1ccc(Br)s1	759552885	MOTDFWLKKUTMRY-UHFFFAOYSA-N	406.396	3.991	10	20	HHCD	
C[C@H](NC[C@@H](CO)Cc1ccccc1Br)c1cc(F)cc(F)c1O	760034220	LVACVNXZUIHDPV-RYUDHWBXSA-N	400.263	3.935	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4ccsc4C3)cc2F)C[C@@H](C)O1	760309211	XFUUJFWSGZZFDO-HUUCEWRRSA-N	403.523	3.769	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc(Cc4ccc(C(N)=O)cc4)no3)ccc21	761460409	QPAOSZBHGKASJZ-UHFFFAOYSA-N	404.470	3.644	10	20	HHCD	
O=C(NCc1ccccc1O)c1cc(Br)c(O)c(Br)c1	764072767	XZGBYWWWOVNOBZ-UHFFFAOYSA-N	401.054	3.553	10	20	HHCD	
O=C1/C(=C/c2cnn(-c3ccc(Cl)cc3)c2)SC(=S)N1Cc1ccon1	764418624	VEKUJFICIBJTAI-CHHVJCJISA-N	402.888	3.915	10	20	HHCD	
C[C@H](NCCNc1ccc(-c2ccccc2)nn1)c1ccc(N2CCOCC2)c(F)c1	765564364	DOAYKKYZBXMTBM-SFHVURJKSA-N	421.520	3.882	10	20	HHCD	
C[C@@H](NCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	765659750	BPGYVDINEXRLBS-MRXNPFEDSA-N	407.530	3.712	10	20	HHCD	
CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	765868770	PTHLJPBBPVUPMP-UHFFFAOYSA-N	414.477	3.842	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(N3CCC(C)CC3)cc2)c1	765871933	HIMADIFCYODQBV-SFHVURJKSA-N	401.576	3.682	10	20	HHCD	
COc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc2c1O[C@H](C)C2	767383722	QFSAKKMCJNITHJ-QGZVFWFLSA-N	409.530	3.801	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccccc1NC(C)=O	768030658	MEKHZNCWWVQSTL-UHFFFAOYSA-N	405.292	3.704	10	20	HHCD	
COc1ccc(CN2CCCN(Cc3cc(Cl)cc(Cl)c3O)CC2=O)cc1	768536434	WYIPNAXAPRSWHZ-UHFFFAOYSA-N	409.313	3.942	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)COC3)cc1)C1CCCCC1	768945185	PXZQMCBAOPMMET-UHFFFAOYSA-N	407.514	3.741	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(OC[C@H]3CCCCO3)CC2)c1O	769543383	OKHNEMOATGMLNB-QGZVFWFLSA-N	414.340	3.713	10	20	HHCD	
CCOc1cc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc(Cl)c1O	771634998	CGTCQKQHFAMZHI-UHFFFAOYSA-N	403.910	3.839	10	20	HHCD	
C[C@H](NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1ccc(N(C)C)cc1	773021682	SMNKRCPYSLZJSW-SZJVNEJHSA-N	405.542	3.882	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	774483870	PXGYIDAQGCTWAO-SBOQHKNFSA-N	412.578	3.586	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1O	775021520	OEJHJQIOMQFCDF-AWEZNQCLSA-N	411.380	3.696	10	20	HHCD	
Cc1ccccc1-n1nccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	775362850	ILSXOAKPHUBTFR-SFHVURJKSA-N	405.502	3.900	10	20	HHCD	
Cc1ccccc1-n1nccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	775371931	VPDNGKFZCWJVTE-UHFFFAOYSA-N	419.529	3.711	10	20	HHCD	
Cc1ccccc1[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C	775407665	QIDXEKUALQTZJL-XMMPIXPASA-N	413.537	3.574	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cn(C)nc1-c1cccs1	775686282	HFPYXXSLEBYOOL-UHFFFAOYSA-N	405.907	3.683	10	20	HHCD	
COc1cc(O)c(CNC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1OC	776040328	CEYVOHYJIBIRMN-AWEZNQCLSA-N	421.335	3.788	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1cccc(OC(C)C)c1	777829400	WBADPNFPZSLENZ-UHFFFAOYSA-N	405.878	3.577	10	20	HHCD	
COc1ccc(N2CCCN(Cc3cc(O)c(OC)cc3Br)CC2)cc1	778997842	CUBYMHYOBSOIKR-UHFFFAOYSA-N	421.335	3.884	10	20	HHCD	
CC(C)(C)OC(=O)N1CCCc2c(C(=O)NCCc3ccc(O)c(O)c3)cccc21	779002251	WWLJKCBCVOBCAV-UHFFFAOYSA-N	412.486	3.758	10	20	HHCD	
Cc1cc(CC(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)c(C)n1-c1ccc(Cl)cc1	779076028	NQFJOYSQVUJQDN-NHCUHLMSSA-N	414.933	3.887	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1	779497839	DFGIECBJAQIFJM-VZUCSPMQSA-N	406.413	3.819	10	20	HHCD	
CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)/C=C\c1ccc(O)c(O)c1	779532777	SSERZUOQRBVYCY-LEXSJLIMSA-N	424.280	3.708	10	20	HHCD	
O=C(CN1CCCN(C(=O)C2CC2)CC1)Nc1ccc(N=Nc2ccccc2)cc1	781928700	CSWGHBXQWBVNBU-UHFFFAOYSA-N	405.502	3.985	10	20	HHCD	
CCCc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1	783087893	ATCIRAFFWFQJGY-UHFFFAOYSA-N	419.529	3.983	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(C)c(C)c1	785191423	AEPOGMXQRZGTMO-UHFFFAOYSA-N	405.292	3.759	10	20	HHCD	
Cc1cc([C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)ccc1F	788911239	LBNLLSUGWVXGKK-QFIPXVFZSA-N	409.505	3.618	10	20	HHCD	
COc1nc(Br)ccc1NC(=O)NCCCSc1nccs1	789385265	YSJGEDSBNDDLDA-UHFFFAOYSA-N	403.327	3.613	10	20	HHCD	
COc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1C(F)(F)F	790953705	KXBTYPINZGYELF-LBPRGKRZSA-N	409.408	3.596	10	20	HHCD	
CCOc1ccc(Oc2cc(CNC(=O)NCc3ccc(OC)cc3O)ccn2)cc1	792887664	CJELEQJZCIBCOF-UHFFFAOYSA-N	423.469	3.986	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2cccc(Br)c2)CC(=O)C1	798152690	CSNBDDQMDFMBHS-UHFFFAOYSA-N	415.331	3.774	10	20	HHCD	
COC(=O)c1ccc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)nn1	798532181	DKHFZCHKYRKFCR-UHFFFAOYSA-N	404.430	3.997	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1	799860276	ZWYVCPQLHLTLOS-HNNXBMFYSA-N	402.926	3.979	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1F	805094465	LXXRBQYYVPRAJD-UHFFFAOYSA-N	402.470	3.964	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cnn(-c2ccccc2F)c1	805135301	ISJNIWFDPJUZST-UHFFFAOYSA-N	416.261	3.502	10	20	HHCD	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C(=O)NCCCSc1nccs1	806280513	PPNKLBXCJAEKPO-KRWDZBQOSA-N	423.579	3.606	10	20	HHCD	
O=C(Nc1cc2ccccn2n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806651310	MCCHZRZPKJVOAO-CQSZACIVSA-N	401.417	3.726	10	20	HHCD	
COC(=O)N1CCC(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1	807525844	VIARLLHVSOUIRY-UHFFFAOYSA-N	403.523	3.715	10	20	HHCD	
CCOc1ccc([C@@H]2CCCN2C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	807676525	HFXIWSBPKYMZGP-JTSKRJEESA-N	409.530	3.692	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1c(F)cccc1OC(F)F	807767735	RUWDVXNQCCKMBV-UHFFFAOYSA-N	424.419	3.578	10	20	HHCD	
CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1Cl	808114670	DJESURPCADMCJM-UHFFFAOYSA-N	411.213	3.736	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1	810050670	KZEBSHJXDUWCTN-AWEZNQCLSA-N	400.500	3.660	10	20	HHCD	
Cc1nnsc1CN[C@@H](C)c1cc(Br)cc(Br)c1O	813885540	UYVJZGZHCOTCDJ-LURJTMIESA-N	407.131	3.928	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)sc2c1CCC2	891243396	NHJJLDFRXZCMBL-NSHDSACASA-N	418.902	3.668	10	20	HHCD	
C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1	916386118	KLMKEILNOMITQL-WOJBJXKFSA-N	424.589	3.703	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1	916389947	JPSLNJSRQJPOPA-HXUWFJFHSA-N	412.534	3.524	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(Cc2cn3ccccc3n2)CC1	917392732	OHGKZJCKMAIJTE-UHFFFAOYSA-N	419.554	3.761	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccc(F)c3)cc2)C1	918123509	XWGMKOADFJHWNT-UGKGYDQZSA-N	424.520	3.574	10	20	HHCD	
COc1ccccc1N1C(=O)/C(=C/c2ccc(S(C)(=O)=O)cc2)SC1=S	918199233	PYUAEBHVOQAUCT-WJDWOHSUSA-N	405.522	3.505	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cn2)n1	920871954	MAOYQUBXPLAJPI-SFHVURJKSA-N	420.517	3.603	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCCCc1cccnc1)c2[N+](=O)[O-]	1322052603	VADLYJFZPNYYGC-UHFFFAOYSA-N	416.389	3.555	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)CC2)cc1	1327666887	XIMLVXLCVHISSL-LJQANCHMSA-N	408.546	3.679	10	20	HHCD	
Cc1nc2ccc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)cc2o1	1343464364	MEGUUHVRKIUQOR-UHFFFAOYSA-N	413.480	3.995	10	20	HHCD	
COCCC(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1	1790775871	RYHTYTGZUCRGRZ-UHFFFAOYSA-N	418.877	3.535	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	54035476	AGOQIACMPNUOTF-UHFFFAOYSA-N	419.591	3.503	10	20	HHCD	
Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1C(=O)NC(C)C	303391279	YEYMVGFLMDFNKH-UHFFFAOYSA-N	424.545	3.634	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566548	SMTFGEYQXPWSCF-CQSZACIVSA-N	408.420	3.980	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C/c3cccc4c3OCO4)SC2=S)c1	726625702	MDJBQXMJQAVLLB-PXNMLYILSA-N	401.465	3.838	10	20	HHCD	
CCC(CC)[C@@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)N1CCCC1	726704203	OQXWQQAYARHMPZ-HSZRJFAPSA-N	416.610	3.864	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1	728979602	JEXJOFSQYOBJQE-BMLIUANNSA-N	406.891	3.735	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)cc2)CC1	731016581	NBPWTJNBBOQWPW-LJQANCHMSA-N	409.505	3.731	10	20	HHCD	
CCN1CCN([C@H](C)CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	733160556	DTWKSYZDMMWFOG-QGZVFWFLSA-N	402.970	3.503	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	734067284	HLKQVQKHLVJSLK-OAHLLOKOSA-N	409.408	3.711	10	20	HHCD	
CC1CCC(N2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)CC1	734526349	QERADRYPTLTYAE-UHFFFAOYSA-N	416.635	3.646	10	20	HHCD	
O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cc(O)cs1	735326689	NEHKLWKFBGAKHX-UHFFFAOYSA-N	409.435	3.958	10	20	HHCD	
NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCCCCC3)c2)c1	740936433	LQYJEZKIHMBDST-UHFFFAOYSA-N	407.923	3.620	10	20	HHCD	
O=Cc1ccc(OCCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742800155	PEENEASHXXAIDJ-KRWDZBQOSA-N	418.440	3.655	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)NCc3csc4ccccc34)CC2)cc1	742940388	RYNJWWGLGUYTEJ-UHFFFAOYSA-N	424.570	3.531	10	20	HHCD	
O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1c(O)ccc2c1CCCC2	743718883	NBYATSMMMWDGRP-UHFFFAOYSA-N	400.906	3.751	10	20	HHCD	
Cc1cc(C(=O)NCC(=O)NC2CCCC2)c(C)n1-c1cccc(Br)c1	746845775	VRUMUAPSXKVSIA-UHFFFAOYSA-N	418.335	3.645	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)ccc21	746879980	OIZVFFGIVUARCN-HXUWFJFHSA-N	406.530	3.629	10	20	HHCD	
C[C@H](NC(=O)N(CCO)[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	749557316	DFDLFRCSJJTLPQ-YADARESESA-N	423.557	3.666	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccc(Cl)c2)cs1)c1cnn(C2CCOCC2)c1	749738438	VEZLCRVBAGZHHD-UHFFFAOYSA-N	424.935	3.812	10	20	HHCD	
COC(=O)[C@@H]1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1	750826835	FGXOPOXPNNMFDP-JKSUJKDBSA-N	400.441	3.623	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)oc1C	751126279	KNWLYWOGVBBFPQ-UHFFFAOYSA-N	414.411	3.577	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)cc1F	753740951	ZVUAWBUPLBKOTP-UHFFFAOYSA-N	411.502	3.849	10	20	HHCD	
C[C@H](NC(=O)Cc1cc(Cl)cc2c1OCC2)c1ccc(N2CCOCC2)cc1	754166657	BFKYZRAQMXUXID-HNNXBMFYSA-N	400.906	3.531	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C3CC3)[C@H](C)c3ccco3)cc2F)CC1	754918879	MWYDPKLECYSTAM-QGZVFWFLSA-N	414.525	3.996	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@@H](c2ccc(F)cc2)C1	755126216	HJYPPFGLAIKHBI-GOSISDBHSA-N	401.457	3.501	10	20	HHCD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	755939514	FCKRONSKCMBPRW-OAHLLOKOSA-N	404.913	3.935	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1cccc(F)c1)c1cc(Br)cc(F)c1O	756459544	OYIFMGCFVQRBQA-ZWNOBZJWSA-N	402.235	3.523	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@H](C)c2cc(F)ccc2O)s1	756532729	GRHIKXGPJPHZBS-CYBMUJFWSA-N	400.541	3.517	10	20	HHCD	
C[C@@H](NCCCO[C@@H]1CCOC1)c1cc(Br)cc(Br)c1O	756649488	HKPBVMHMXIKFAV-ZYHUDNBSSA-N	423.145	3.763	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2Cc3cccc(O)c3C2)cc1	759455928	OGVJUHQJVQXYQF-IBGZPJMESA-N	405.498	3.930	10	20	HHCD	
CC(C)c1ccc(CN(C(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)C2CC2)cc1	759593627	DBKADQSLLIWWSH-SDQBBNPISA-N	409.482	3.969	10	20	HHCD	
C[C@@H](N[C@H](C)c1cccc(O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	759674786	XRWJVSRCXUMGQJ-HUUCEWRRSA-N	414.461	3.845	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](c2ccsc2)O1	759728759	ZSAKMZCGUHUWKQ-OXQOHEQNSA-N	417.600	3.973	10	20	HHCD	
C[C@@H](NC[C@@H](CO)Cc1ccccc1Br)c1cc(F)cc(F)c1O	760034213	LVACVNXZUIHDPV-NEPJUHHUSA-N	400.263	3.935	10	20	HHCD	
CN(C)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1Cl	760945329	XSTJHTKLQUFPKO-QGZVFWFLSA-N	422.312	3.766	10	20	HHCD	
CN(C)c1ccc(CN2C(=O)[C@H](c3cccc(Br)c3)N(C)C2=O)cc1	760946454	CQSOLRKTZIVFQQ-KRWDZBQOSA-N	402.292	3.650	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cnn(CC(F)(F)F)c3)cc2)CC1	763609501	GWEFKEWDJORLGY-UHFFFAOYSA-N	409.456	3.681	10	20	HHCD	
CCS(=O)(=O)c1cccc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	763861402	PBYIRTPTCSSSEY-UHFFFAOYSA-N	414.571	3.672	10	20	HHCD	
CO/C(=C\c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	764351946	MBEQOPKIGCWCSE-MOSHPQCFSA-N	420.431	3.846	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1	765214751	QCPBZMPVEMUPNR-UHFFFAOYSA-N	420.307	3.958	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(N2CCCCC2)nc1	765233119	DWQKULRZQBWWKK-UHFFFAOYSA-N	405.296	3.862	10	20	HHCD	
CO[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1cccc(Cl)c1	765525949	HZEHKXIGGHDXRX-HNNXBMFYSA-N	413.699	3.995	10	20	HHCD	
CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1cccc(Br)c1O	765924428	ABUQGJAWDMGAJW-UHFFFAOYSA-N	421.291	3.507	10	20	HHCD	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(-c2cc(F)ccc2OC)cs1	766743268	HQPPWOVBAYBGLZ-UHFFFAOYSA-N	424.523	3.617	10	20	HHCD	
COCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1	774699605	GJCDLXLIXSUZIZ-UHFFFAOYSA-N	418.496	3.529	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c1O	774842770	ZPPPKCIJMSYYHK-DZGCQCFKSA-N	409.483	3.577	10	20	HHCD	
COc1cc(Cl)cc(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1O	775201066	BPFDIERADOCYCI-UHFFFAOYSA-N	423.840	3.766	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1O	775490832	DTJIJXMGDUIIBR-OXQOHEQNSA-N	401.938	3.988	10	20	HHCD	
C[C@@H](CS(=O)(=O)c1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	775625625	CDNMCZZRQMQUEB-INIZCTEOSA-N	424.513	3.709	10	20	HHCD	
C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)cc1	776971984	IXTXEEQESOWHIV-INIZCTEOSA-N	400.906	3.702	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1	778578851	WOERCLWGFRQXPG-UHFFFAOYSA-N	423.425	3.825	10	20	HHCD	
CNC(=O)c1cc(Oc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc2C)ccn1	779532788	WHCBAIUXDGVGPM-VMPITWQZSA-N	419.437	3.605	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1	782647745	FQWOKIRKLURUNP-KKUMJFAQSA-N	407.511	3.597	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)cc1	784558562	AFKQPUCSWJFXHK-UHFFFAOYSA-N	416.493	3.641	10	20	HHCD	
CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)oc12	785537432	HNCRVEJJWBICBV-MRXNPFEDSA-N	423.513	3.700	10	20	HHCD	
O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cccc(O)c1O	790733175	ITDDXQKFKLKULU-UHFFFAOYSA-N	419.405	3.602	10	20	HHCD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	790947131	READFFASQAMHJO-MRXNPFEDSA-N	414.531	3.576	10	20	HHCD	
Cn1nc(C(F)F)c2cc(C(=O)NCc3cccc(Br)c3O)sc21	792484423	PIFFQQSISNENJZ-UHFFFAOYSA-N	416.247	3.971	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c(O)c1	792931299	UNBQYEGWZXUUDK-KRWDZBQOSA-N	421.900	3.657	10	20	HHCD	
C[C@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccc(N(C)C)cc1	793561645	RNGAFFUZWWOUFO-FYSMJZIKSA-N	406.530	3.828	10	20	HHCD	
CCc1cnc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)o1	793833990	HSVYSINHJSGLHT-NTEUORMPSA-N	421.569	3.596	10	20	HHCD	
CC(C)(C)OCCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	795316139	KHDWFYATYGDKKT-UHFFFAOYSA-N	402.457	3.754	10	20	HHCD	
C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(C(F)(F)F)c1O	798183598	OHQBWXDUNCEONM-RIFZZMRRSA-N	408.464	3.945	10	20	HHCD	
CSCC(C)(C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	800507144	UHZJQGWQJXKJTN-QGZVFWFLSA-N	409.596	3.824	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c(C)n1-c1ccc(Cl)cc1	801434900	GWDCSUZGOCSHJH-LJQANCHMSA-N	415.965	3.932	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O	801638230	ZGTMNUYDVLFWLA-UHFFFAOYSA-N	405.520	3.622	10	20	HHCD	
CC(C)SCCOC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	803484037	PLAGABUZCGKAIR-UHFFFAOYSA-N	401.531	3.553	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)c1O	806800865	OJBFMBDEXKEPLO-UHFFFAOYSA-N	420.185	3.899	10	20	HHCD	
C[C@H]1CN(C(=O)COC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCO1	807455041	VOHROKBSLRQIER-INIZCTEOSA-N	410.474	3.572	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)cc(OC)c1OCC(F)F	809144168	GASNXDCGEIZYEF-QPEQYQDCSA-N	401.456	3.711	10	20	HHCD	
COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccccc1O	812095298	BBHPLWGFBDAHIP-HNNXBMFYSA-N	400.454	3.546	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCCOC2=O)cc1	814304865	TZNMEAOTWSZXJU-KRWDZBQOSA-N	413.493	3.860	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@](C)(O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	815062657	NAMPNLROQHPYLX-KIMHZCHSSA-N	420.912	3.617	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	914499443	KFORXKRUJSVVEM-UHFFFAOYSA-N	423.425	3.825	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@H]1COCCO1	916438368	JSVNPVDXVDWSLB-PKOBYXMFSA-N	408.420	3.714	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)c(F)c1	917845915	FPAWVJITIZTOSD-UHFFFAOYSA-N	405.432	3.757	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc2cnccc12	917852750	XEHYSURUNZRBLF-UHFFFAOYSA-N	411.464	3.888	10	20	HHCD	
Cc1cc(OC(C)C)ccc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	918038952	OBTDDUZWMRKKEM-IBGZPJMESA-N	424.545	3.806	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OC)c3ncccc23)cc1	920189477	WODZCPXLENNQGT-UHFFFAOYSA-N	420.513	3.687	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C(N)=O)cs3)c2C)cc1F	920602603	NQWITSMIBVRTNT-UHFFFAOYSA-N	414.458	3.742	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCN2CCCN(C)CC2)c1	1116065825	YJWOEYJTUQDCNH-UHFFFAOYSA-N	402.970	3.505	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1	7176635	IRHSXURAOXLKFE-QGZVFWFLSA-N	417.465	3.625	10	20	HHCD	
O=C(Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1)c1cccs1	24103305	VZMALSDOXLBWAA-UHFFFAOYSA-N	416.509	3.806	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1	195700737	ZRHHJQOBYDDPCC-UHFFFAOYSA-N	415.342	3.903	10	20	HHCD	
COc1cccc(CN(CCN(C)C)C(=O)NCc2c(C)c3ccccc3n2C)c1	472232904	NVNBWHYMMCXWSM-UHFFFAOYSA-N	408.546	3.769	10	20	HHCD	
COc1ccc(C)cc1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565417	MDWMUSLVFFXKQQ-UHFFFAOYSA-N	404.457	3.933	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(OC2CCCC2)nc1	727029712	APJJFTQAWQUCGW-UHFFFAOYSA-N	414.481	3.700	10	20	HHCD	
Cc1ccc(F)c(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	727215579	RTMCGKSXKGYYGF-UHFFFAOYSA-N	417.392	3.705	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccc(OC(F)F)cc1	727239057	XPNMUIIBOJJHAX-HNAYVOBHSA-N	419.472	3.607	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1	727250660	NGVLBROWXYRHRD-UHFFFAOYSA-N	408.476	3.775	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cc(OC)cc4c3O[C@@H](C)C4)SC2=S)cn1	727860986	LYGQISBSUKSIQD-FSKGUYTJSA-N	401.513	3.641	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1	729062769	DMZYRPJQNMDPJA-VIFPVBQESA-N	416.783	3.889	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(N4CCCC4=O)CC3)c2C)cc1C	729482285	NADKMMNHHZEUIW-UHFFFAOYSA-N	407.558	3.980	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)NCc3ccc(N(C)C)c(F)c3)c3c2CCC3)c(F)c1	730488201	JXPVNVRJWSPJQS-UHFFFAOYSA-N	410.468	3.944	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(Oc2ccncc2)c1	733000006	LVNDEHYEMRCLCW-UHFFFAOYSA-N	421.472	3.904	10	20	HHCD	
CSCC[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	736060100	SCOIRZBEJYRVDG-POKNLVKOSA-N	414.643	3.987	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)c1O	737286000	PIWZXEAHDSDRMB-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	739527655	UTZMGBPRXCPASR-JTHBVZDNSA-N	407.558	3.519	10	20	HHCD	
COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	741100249	VSFJGSDCICNPKL-UHFFFAOYSA-N	407.514	3.624	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1	741435413	RYMALNCHJCFZQF-IBGZPJMESA-N	404.555	3.587	10	20	HHCD	
CN(c1ccc(CNC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1)C1CCCCC1	742416515	AAIFYPYZJJOAEF-QFIPXVFZSA-N	407.514	3.862	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	742632809	SIMVFHXXXCYWDR-UHFFFAOYSA-N	403.504	3.577	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c[nH]1	743046216	PWQUFUHVKULRKU-UHFFFAOYSA-N	405.501	3.651	10	20	HHCD	
CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C12CCCC2	743554619	JIIDEJMBVDQEKX-PMACEKPBSA-N	403.592	3.777	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H](C)NC(=O)C1CCCC1	743809269	QUOIEZVYRFHOEX-CYBMUJFWSA-N	411.340	3.588	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cncc(Br)c3)n2)c(C)o1	747856557	VMQNHMMWHJJHQZ-UHFFFAOYSA-N	414.306	3.978	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2ccc(F)cc21	748043322	SODDMSZMLLTZBQ-UHFFFAOYSA-N	418.471	3.597	10	20	HHCD	
CCCCCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	748330870	JXGLOISINFNAOC-NRFANRHFSA-N	414.594	3.905	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H]3SCCc4ccccc43)CC2)cc1	749565104	MGLLYCIOWJUBES-JOCHJYFZSA-N	411.571	3.994	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)c(C)n1-c1cccc(Cl)c1	753665262	MPZXHBMOZSVYLR-QUCCMNQESA-N	400.906	3.958	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c(C)o1	754695317	XLXKVOJUHQOHRJ-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2csc(C=O)c2)NC(=O)OC(C)(C)C)cc1	755012537	NWGVBDSBAAQKNB-GOSISDBHSA-N	417.531	3.622	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1	758370769	XXBZRUMNBKGGQI-LPHOPBHVSA-N	404.555	3.730	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCCc2ccc3c(c2)OCCO3)C2CC2)cc1	758894475	MHJGTPZQXPYPSQ-UHFFFAOYSA-N	409.530	3.831	10	20	HHCD	
COc1cc(N2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc(OC)c1OC	758936358	PLZLKGHXBILCRL-UHFFFAOYSA-N	414.531	3.661	10	20	HHCD	
C[C@@H](NC(=O)NC1CCC(O)(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	760668166	GPORXQBWLJMQIL-FMGIXGHUSA-N	423.557	3.714	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(OC(F)F)cc1OC(F)F	761623941	PSUAOEIVBLDTFB-UHFFFAOYSA-N	404.316	3.665	10	20	HHCD	
C[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(N2CCCCCC2)cc1	764810106	MGBWWVUMOZFXID-GOSISDBHSA-N	401.576	3.608	10	20	HHCD	
COc1cc(F)c([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OC	765299071	ZNOSNMDVQCVZNM-MRXNPFEDSA-N	402.510	3.902	10	20	HHCD	
COC[C@@H]1CCCCN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1	767940284	KORPOTJAUNSVNN-DLBZAZTESA-N	420.509	3.538	10	20	HHCD	
O=C(CCn1cnc2ccccc21)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768913918	BFPLQULETDVDET-GOSISDBHSA-N	412.921	3.566	10	20	HHCD	
COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C	775291546	MTCJVGUWGQTNDP-UHFFFAOYSA-N	417.405	3.924	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)c1	775374776	FUXLRJFXUWTGON-CYBMUJFWSA-N	418.540	3.779	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(Br)c(C)cc2C)c1	777135047	YYJOCFJJYYDHCW-GFCCVEGCSA-N	421.291	3.596	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CS(=O)(=O)C1CCCC1	777823187	QVBDVLHSEVAWHD-KRWDZBQOSA-N	401.528	3.839	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCN1C(=O)NC(C)(C)C1=O	777826962	VPIOFKNUAKYSGE-KRWDZBQOSA-N	423.513	3.593	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1	779481921	SCNYKLCLSGBVGS-VURMDHGXSA-N	415.877	3.531	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1	784559051	ZLUIVSWXLYSOII-UHFFFAOYSA-N	412.467	3.727	10	20	HHCD	
Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1	785422612	PAQYPCAKTRODDB-UHFFFAOYSA-N	419.525	3.542	10	20	HHCD	
CC(C)C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1	785433626	OARSOZSRZGJBTE-HXUWFJFHSA-N	401.938	3.926	10	20	HHCD	
CC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C	785615016	CKCYHPSBOPSIGQ-SFHVURJKSA-N	415.921	3.707	10	20	HHCD	
C[C@@H]1[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CCN1C(=O)OC(C)(C)C	786631715	QHHUTAYEAWENMT-HZPDHXFCSA-N	421.501	3.980	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](C)c2nncn2C)c(C)n1-c1cccc(Br)c1	787970515	XOEYSUJTOBJMCD-LBPRGKRZSA-N	416.323	3.519	10	20	HHCD	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788913831	ZQWQJQLQGMGGBY-UHFFFAOYSA-N	420.340	3.868	10	20	HHCD	
COCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CC[C@@H](C)C1	790220527	XUEWCWSPGIDCCA-XSYGEPLQSA-N	421.557	3.786	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cn3)ccc21	791552531	ILVNEVIVZCNXGT-UHFFFAOYSA-N	410.518	3.670	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(NC(=O)c4ccccc4)cn3)cc2)CC1	793339304	ZFZUKTOCGZLTKY-UHFFFAOYSA-N	401.514	3.698	10	20	HHCD	
C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	793874530	KDIBRPLADWVQCN-ZWKOTPCHSA-N	409.534	3.695	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@H](c2ccccc2F)C1	798092414	YAVHBTBZVGKCKO-MXVIHJGJSA-N	411.521	3.780	10	20	HHCD	
COc1ncccc1CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799861673	KMMNJABYQPGZIS-OAHLLOKOSA-N	402.926	3.979	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@](C)(O)c3ccco3)cc2Cl)C1	799994871	UKQALRSMQIAAHI-BTYIYWSLSA-N	405.926	3.876	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3c(C)c(C(F)(F)F)nn3C)CC2)cc1	806420477	BQHAQGXNMCURKH-UHFFFAOYSA-N	411.428	3.500	10	20	HHCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)C(=O)Nc4ccc(N=Nc5ccccc5)cc4)[C@@H]1[C@H]3C2	807321385	ZNHSOJMVRJOOKT-ZZGUTQAHSA-N	404.470	3.922	10	20	HHCD	
CNC(=O)[C@H](CCSC)NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C	807905613	VNGSJSTVIQLEKW-FQEVSTJZSA-N	401.576	3.815	10	20	HHCD	
COc1ccc(CN2CC[C@H](NCc3ccc(N4CCCCC4)cc3)C2=O)c(OC)c1	808423695	HWGJZZVQYPSINW-QHCPKHFHSA-N	423.557	3.585	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(CCn2ccnc2)Cc2cccc(Cl)c2)c1O	809753269	OLEXXUFOYKYFHJ-UHFFFAOYSA-N	416.865	3.861	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1Br	915778796	QXBHFNZDUDRMOL-UHFFFAOYSA-N	416.319	3.613	10	20	HHCD	
COCCn1c(C)cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c1C	915852120	GRECGTJNILWGLP-FOWTUZBSSA-N	410.561	3.598	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(OC(F)F)cc3)cc2F)C[C@@H](C)O1	917714953	XEBFVWLZDBEFQJ-HUUCEWRRSA-N	422.447	3.900	10	20	HHCD	
O=C(Nc1cccc2cnccc12)C(=O)N(Cc1ccco1)Cc1ccccc1O	918293602	AVIDZJIKYSHFIX-UHFFFAOYSA-N	401.422	3.701	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCC(C)(C)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1	919787971	BSBKHHWARUHVPI-PMACEKPBSA-N	416.610	3.673	10	20	HHCD	
COc1cccc(OC)c1OC[C@H](O)CNCc1cc(C)n(-c2cccc(C)c2)c1C	920411815	IMPDNSABTCSXCB-JOCHJYFZSA-N	424.541	3.949	10	20	HHCD	
O=C(Nc1cc([C@@H]2CCCCN2C(=O)CC2CC2)[nH]n1)c1cc(O)c(O)c(Cl)c1	1821293766	OSJJRCZIINPCEL-HNNXBMFYSA-N	418.881	3.580	10	20	HHCD	
CCCN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1ccccc1O	110076907	FJIINJNTXNYOQP-UHFFFAOYSA-N	407.514	3.902	10	20	HHCD	
CCN1CCN([C@H](C)CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1	303632717	UGSBFHZMURIZCU-HXUWFJFHSA-N	410.606	3.973	10	20	HHCD	
Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Cl	303007794	OBJSWSIVFCVOHT-OAHLLOKOSA-N	420.912	3.832	10	20	HHCD	
Cc1ccccc1-n1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C	145641860	RBTSNRAZQMQNEM-SFHVURJKSA-N	404.514	3.817	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(N2CCOCC2)cc1	145709580	KJYFDKNYCMHDMJ-LJQANCHMSA-N	417.509	3.988	10	20	HHCD	
Cc1c(CNC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)n(C)c2ccccc12	471231558	JIAKFXCJPIWDIG-UHFFFAOYSA-N	422.573	3.761	10	20	HHCD	
CSc1c(F)cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1F	472812332	ZACBJFAUXHYEQB-UHFFFAOYSA-N	403.454	3.742	10	20	HHCD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806171434	IKXJJPHPCSQTGU-UHFFFAOYSA-N	403.287	3.733	10	20	HHCD	
CC(C)c1nnc2ccc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cn12	801744046	XCGDWAPKGCHFHU-INIZCTEOSA-N	408.506	3.572	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2nc3c(s2)CCCCCC3)n(C)c2ccccc12	472782322	DBDBVKFWXHWOQG-UHFFFAOYSA-N	410.543	3.857	10	20	HHCD	
CCN(C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](C)c1cc2ccccc2o1	803661952	PERHIANSHYKQCJ-HNNXBMFYSA-N	411.477	3.864	10	20	HHCD	
COc1ccccc1-c1nnc(SCC(=O)C(C)=O)n1-c1ccc(Cl)cc1	808014813	UNVSDYDMGNTLBJ-UHFFFAOYSA-N	401.875	3.847	10	20	HHCD	
COCCc1cc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n(C)n1	807482254	RZRPVUCHHMVIRP-UHFFFAOYSA-N	406.446	3.602	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(Sc2ccccc2)CC1	805899414	VEUNDWNODZPZLJ-UHFFFAOYSA-N	412.555	3.962	10	20	HHCD	
COc1ccc(C2=NO[C@@H](CNC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)cc1	807213794	JTNLMBSQFJJHNU-OAHLLOKOSA-N	424.284	3.700	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)Sc3nncn3C)cc2Cl)C1	800049709	UKGXYAHWNXLBQJ-UONOGXRCSA-N	407.971	3.502	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c1	812310206	OWWGRRAPGLZXBE-UHFFFAOYSA-N	423.903	3.793	10	20	HHCD	
Cn1nnc2c1C[C@H](C(=O)OCC(=O)Nc1ccc(N=Nc3ccccc3)cc1)CC2	811342942	BNFWFLHMVCIDKZ-OAHLLOKOSA-N	418.457	3.517	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccn(-c2ccc(Br)cc2)n1	817820099	DTBVICDCIFYNRR-KRXBUXKQSA-N	400.232	3.698	10	20	HHCD	
Cc1cc(C(F)(F)F)nn1CC(=O)Nc1c(-c2ccccn2)nc2ccccn12	813044262	VSOZKGSQQNWBDA-UHFFFAOYSA-N	400.364	3.559	10	20	HHCD	
CC(C)[C@@H]1N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1(C)C	817219025	PDYSNJLMLXBOCH-KRWDZBQOSA-N	408.545	3.761	10	20	HHCD	
CO[C@H](C)c1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	727037232	LPMVLXCACCETIM-GOSISDBHSA-N	409.530	3.981	10	20	HHCD	
COC(=O)Cc1occ(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	810075254	IOGMJELIEDKGFH-UHFFFAOYSA-N	410.470	3.805	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(O)nc2ccccc12	726566456	OKHYEMMHLFDKQK-UHFFFAOYSA-N	413.424	3.941	10	20	HHCD	
C[C@@H](NC(=O)NCc1cc(-c2ccccc2)on1)c1ccc(N2CCOCC2)cc1	726849333	RBFLYBRDLSYVMS-QGZVFWFLSA-N	406.486	3.739	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccn(Cc4ccccc4)n3)CC2)cc1	726695306	HVTKDZBZJBOACJ-UHFFFAOYSA-N	405.502	3.731	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(CCc2ccccn2)C1=O	726197187	NRSNOKFTUKVBMD-ATVHPVEESA-N	415.496	3.832	10	20	HHCD	
C[C@@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1	729346289	OEYJYCJBQZXPPX-KRWDZBQOSA-N	418.534	3.685	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSC[C@@H]2CCCCO2)cc1	727375172	JMBNHLLOZSDZGU-SFTDATJTSA-N	406.592	3.563	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc(CN4CCCC4=O)c3)CC2)cc1	726697916	HNNOCPBKJVLBLM-UHFFFAOYSA-N	422.529	3.608	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)N(C)Cc1ccccc1	732241153	CSOAGPMIRUPWOX-LJQANCHMSA-N	412.603	3.560	10	20	HHCD	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NCc3cc(OC)ccc3O)ccc21	734072576	HYCWUQMGRJYFQH-UHFFFAOYSA-N	417.465	3.784	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCc3csc(CC(=O)OC(C)C)n3)sc2n1	733418897	VCDBZJJFELAXOB-UHFFFAOYSA-N	419.528	3.803	10	20	HHCD	
Cc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)C	732676101	HFPKTPWZWFYSOB-NFBKMPQASA-N	422.573	3.893	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2cccc3cccnc23)c1C	731453112	CQLXWRSHGKYDQZ-UHFFFAOYSA-N	414.513	3.852	10	20	HHCD	
COc1cc(C2(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)CCC2)ccc1C	736195757	KQRBDCLRCRFHEG-UHFFFAOYSA-N	422.569	3.950	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1	914506885	IVTCADOESXJSCN-UHFFFAOYSA-N	420.557	3.906	10	20	HHCD	
Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2F)n1	732637219	VFUXWUQDJSRYNK-GOSISDBHSA-N	422.504	3.956	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4cc(C)ccc43)cc2F)CC1	730122407	MPIVWQCJCQZTKU-JOCHJYFZSA-N	410.537	3.763	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ncn(Cc4ccccc4)n3)ccc21	590667730	OBRJYVFLVSEXRI-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)CC2)cc1	916691542	OBDDFGGKYGKJMX-UHFFFAOYSA-N	422.529	3.722	10	20	HHCD	
Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nnn1-c1cccc2cnccc12	743718340	MGZHYJIJEFVKIZ-UHFFFAOYSA-N	413.481	3.638	10	20	HHCD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(N2CCSCC2)cc1	917386510	ADSFUEUEZMFDEV-UHFFFAOYSA-N	409.559	3.804	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@H](c4ccccc4C)C3)CC2)cc1	745794938	AEDNTLYCMDNOPF-QHCPKHFHSA-N	409.530	3.756	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1[N+](=O)[O-]	748858666	ASDKKGNXGADKHD-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC1	745804771	PJDPTVJOZFTYIP-XLIONFOSSA-N	424.536	3.676	10	20	HHCD	
Cc1nnc(-c2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)o1	747568888	YEZWDWVZDGYBDE-IBGZPJMESA-N	408.458	3.964	10	20	HHCD	
CSc1ccc(F)cc1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	745649757	XHPXXXCGLZUPRI-UHFFFAOYSA-N	407.486	3.523	10	20	HHCD	
CC(C)(C)C(=O)COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	913359854	FHNRXIOJBOCGBX-RAXLEYEMSA-N	411.570	3.888	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1OCCc2ccccc21	749822575	LZZUGTGREHXKHQ-FQEVSTJZSA-N	402.441	3.687	10	20	HHCD	
C[C@H](Cc1cccc(O)c1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745736965	MEQOVZJXSWSFQU-NVXWUHKLSA-N	419.472	3.893	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1Cc2ccccc2O1	745523376	CLAHDOHEINKRSP-INIZCTEOSA-N	405.292	3.690	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(Oc4ccccc4)o3)cc2)C1	748705389	SXNCLWLZIBDUMO-GOSISDBHSA-N	419.481	3.704	10	20	HHCD	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)c1	743284009	HOKPJIDDCJYHQN-BOPFTXTBSA-N	419.549	3.895	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1	740919740	KVLKIJKYEQTTPX-LJQANCHMSA-N	405.420	3.614	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc(N4CC=CC4)cc3)ccc2NC1=O	745929005	AJUXYULICGLCKV-IERDGZPVSA-N	420.513	3.733	10	20	HHCD	
C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccco1	745131337	FBWOFELHGGKMAB-UONOGXRCSA-N	417.417	3.729	10	20	HHCD	
Cc1ccnn1-c1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	753023004	PBHHKHGEKMQPMS-UHFFFAOYSA-N	405.502	3.681	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc2nc(C3CC3)oc2c1	751019067	UYAPSFURPHYKGO-UHFFFAOYSA-N	405.454	3.545	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	754484852	YNYCDAQYQORFFF-UGSOOPFHSA-N	405.926	3.925	10	20	HHCD	
O=C(Nc1ccc(Cl)cc1O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	754494409	FLIBLJIQKVZXBC-UHFFFAOYSA-N	424.887	3.866	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C2CC2)cc1	920344977	WMPWLJBSKYNUAB-UHFFFAOYSA-N	420.513	3.598	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CO[C@@H]2CCOC2)c(C)n1-c1cccc(Br)c1	753787223	QVMKTVRDSTYTMM-SCLBCKFNSA-N	421.335	3.780	10	20	HHCD	
O=C(NCc1nnc(S)n1C1CC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	755388581	QWVQAPJARDWKOI-UHFFFAOYSA-N	421.486	3.572	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)oc1C	751126753	RQNFEKDRMHIAGR-UHFFFAOYSA-N	414.411	3.577	10	20	HHCD	
CCOc1ccc(SCC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753738258	NNGZKPPSVZLXSP-UHFFFAOYSA-N	404.507	3.674	10	20	HHCD	
CC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)c2ccccc21	757009478	CTNDNFYIUQFDKI-NRFANRHFSA-N	424.570	3.537	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccncc3C(F)(F)F)cc2F)C[C@H](C)O1	764383708	VKQFUXPNYNYBNI-STQMWFEESA-N	411.399	3.783	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc([C@@H]2CCOC2)c1	761981048	MFARWAWMSFXARY-NQIIRXRSSA-N	414.933	3.944	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnn(CC(C)C)c1C(C)C	766575854	GZOPVXIYILCHRG-UHFFFAOYSA-N	413.566	3.716	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1Br	765976933	CNJDYEICFIDLPC-OAHLLOKOSA-N	423.376	3.535	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cccc4ccsc34)CC2)cc(OC)c1OC	767116418	HFCIPDMLYLRDTB-UHFFFAOYSA-N	412.511	3.890	10	20	HHCD	
Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1ccc(OCc2ccccc2)cc1O	863949036	ZZAXNICXBWKDPR-XMMPIXPASA-N	402.494	3.953	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1)c1ccc(N2CCOCC2)cc1	763595590	PNPDQJDGSUSZNI-SFHVURJKSA-N	419.529	3.816	10	20	HHCD	
O=C(Nc1ccc(-c2ncco2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	766579045	ZCPOZQTYRQYYLS-UHFFFAOYSA-N	417.421	3.808	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc(F)cc(Br)c1	765769469	MIAOLCAOHWDFCE-UHFFFAOYSA-N	403.045	3.986	10	20	HHCD	
CCC(=O)N1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1	762250782	LQTGRBRLVPQWNF-MRXNPFEDSA-N	418.335	3.597	10	20	HHCD	
Fc1cccc(CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]2CCCO2)c1	769192395	QOXVTSSAFKGMPQ-OAQYLSRUSA-N	402.485	3.983	10	20	HHCD	
O=C(COC(=O)[C@@H](F)c1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	769163948	DFUMNNDWZOUWTC-NRFANRHFSA-N	417.392	3.655	10	20	HHCD	
O=C1N[C@@H](c2ccccc2F)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	761158381	JOZUPJRLVSXPBA-SFHVURJKSA-N	419.403	3.689	10	20	HHCD	
O=C1NCCN1Cc1ccccc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	779604585	CVIFDMNIGGCQPC-UHFFFAOYSA-N	409.490	3.722	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCC2(c3ccccc3Br)CC2)c1O	775022759	GMZSVQZKNNOVCW-UHFFFAOYSA-N	407.264	3.893	10	20	HHCD	
CC(=O)Nc1ccc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1	788927199	VRRAVRXNJVGTRK-UHFFFAOYSA-N	409.534	3.808	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cc1	787854258	HZZQWEBUPOLBBF-HNNXBMFYSA-N	419.472	3.628	10	20	HHCD	
C[C@@H](NCCCN1CCN(c2ccncc2)CC1)c1cccc(C(F)(F)F)c1O	788585126	SMQFBZATYHPEPA-MRXNPFEDSA-N	408.468	3.669	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)cc1F	788926352	LWZSUKWHOFIBTM-UHFFFAOYSA-N	420.916	3.941	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)cc1C	784024591	QISSWIUTCKZKLA-UHFFFAOYSA-N	405.292	3.840	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CCSCC3)cc2)c1	788089002	GSUVRVIOOAFJKC-PZJWPPBQSA-N	412.555	3.677	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)cc2F)C[C@@H](C)O1	788881337	IVWRGPCUAXWMEP-CMCRGWCASA-N	415.484	3.934	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)cc1F	785197037	VVGBCKQLFXXEAL-UHFFFAOYSA-N	423.282	3.843	10	20	HHCD	
Cc1ccc(O)c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1	790072475	NWIIFZPIEDTTMF-UVTDQMKNSA-N	419.553	3.777	10	20	HHCD	
CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc3oc4ccccc4c3cc2O)cn1	792716219	WHUUIXOOUSZBJA-SLQAJWMNSA-N	409.511	3.814	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)Cc3cnc4ccccc4n3)CC2)cc1	1326311719	VWGACOTVQGKIGK-SFHVURJKSA-N	404.514	3.556	10	20	HHCD	
Cc1ccn(-c2cccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2)n1	1251330816	SYBOEQHORYAURO-ROUUACIJSA-N	422.504	3.863	10	20	HHCD	
CCCCC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1	1810550465	KSGKKSLBQQRQDU-QGZVFWFLSA-N	417.550	3.554	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCCS3)C2)cc1	1846721165	WIXSBSFNGJEJQE-NRFANRHFSA-N	423.582	3.807	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNC2CCN(S(=O)(=O)CC)CC2)cc1	30667986	UNLCUMPQCFFNGY-UHFFFAOYSA-N	415.603	3.617	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1	54401650	OOEXOEHNOCBXFN-UHFFFAOYSA-N	400.954	3.870	10	20	HHCD	
O=C(NCc1ccccc1O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1	116376866	XGVKEZFYYWTCSV-UHFFFAOYSA-N	402.376	3.799	10	20	HHCD	
CC(C)COC[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	726245637	LHOUFFCLONJABH-WIYYLYMNSA-N	415.534	3.890	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)/C=C/c3ccccc3Cl)CC2)cc1	727448432	KAOGDSCPSPWROY-LFIBNONCSA-N	406.935	3.861	10	20	HHCD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1	727730793	NDTMNVMBWAFZSF-JOCHJYFZSA-N	421.607	3.940	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1O	727762657	SRRDHJHDTFTHDV-INIZCTEOSA-N	423.296	3.629	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc2c(c1)CC(=O)N2C	728401788	VOHPBFWPRFGPTR-MRXNPFEDSA-N	419.481	3.977	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1	728467359	ICCGEGXQIJLNKG-NRFANRHFSA-N	408.608	3.921	10	20	HHCD	
COc1ccc2c(c1)OC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)C2	728836919	JLQRUBCTAGNLCZ-QGZVFWFLSA-N	422.447	3.903	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1	731684644	FOJQXANGOMPVAE-UHFFFAOYSA-N	413.909	3.840	10	20	HHCD	
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1cc(O)cs1	732352754	FSIYAGWVAHZZBG-UHFFFAOYSA-N	421.452	3.747	10	20	HHCD	
CC(=O)N(c1nc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)cs1)C1CC1	734181765	ATSNHCNPMWIYRU-UHFFFAOYSA-N	410.499	3.818	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(C)n1-c1ccc(C(C)C)cc1	736270620	LGFXKGNEPJKIPI-SJLPKXTDSA-N	402.560	3.865	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c2)CC1	741097300	NSGKUCVQWKZBPM-UHFFFAOYSA-N	418.541	3.554	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(F)c(F)c(F)c1	741427424	PCWUSLDZWILJLC-UHFFFAOYSA-N	405.420	3.691	10	20	HHCD	
CN(CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1ccc(N2CCOCC2)cc1	741730849	VGRNFZJQHXINOG-UHFFFAOYSA-N	422.573	3.584	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(Br)cn2)cc1	742273595	NNAVZZMRNJYPIN-UHFFFAOYSA-N	412.353	3.511	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(F)c1F	742334540	PDDOQKVYSGDEIG-GFCCVEGCSA-N	418.412	3.514	10	20	HHCD	
C[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)Oc1ccc(Br)cc1	742386785	BJVDAQRMWQHBQG-OAHLLOKOSA-N	423.326	3.982	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3ncccc23)NC(=O)OC(C)(C)C)cc1	742751836	XCIKDOZHJDDSCE-IBGZPJMESA-N	423.517	3.625	10	20	HHCD	
CC(C)c1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)on1	742754540	PPLQKVHKDKCKDK-SFHVURJKSA-N	416.522	3.860	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc2c1OCCO2	743118424	UFQJDKKFPSMIKH-UHFFFAOYSA-N	407.264	3.980	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(OC)c(OC)c1	743817346	UHFPKTYTMBASGH-UHFFFAOYSA-N	423.307	3.904	10	20	HHCD	
Cc1cc(Br)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	743957037	ZNWULYDYBRJQKM-UHFFFAOYSA-N	417.303	3.597	10	20	HHCD	
Cc1csc([C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C2CC2)n1	745653657	XPQYEXGVRJBWFQ-FQEVSTJZSA-N	414.575	3.611	10	20	HHCD	
CN(C)CCOc1ccccc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	746979222	VZFXAIHWKDDNAQ-UHFFFAOYSA-N	410.562	3.567	10	20	HHCD	
CCCN(CC(F)F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	748461022	NTOVQYRBLSRFBX-UHFFFAOYSA-N	409.399	3.729	10	20	HHCD	
COc1ccc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	749206891	GNKGGXHDFBLKIQ-MRXNPFEDSA-N	420.460	3.502	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCN(C[C@@H]4CCOC4)CC3)c2C)c1	749852643	KLJLUOVDADZOAO-QFIPXVFZSA-N	409.574	3.548	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(OC)ccc3Br)CC2)cc1	750310959	KPVOYDJBKLVDFW-UHFFFAOYSA-N	420.307	3.820	10	20	HHCD	
Cc1cc(C)cc(N2CC[C@@H](C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)C2=O)c1	752152003	RRDOBLRWVSFIJU-VXKWHMMOSA-N	422.525	3.570	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)c(C)n1-c1ccc(C(C)C)cc1	752455629	FTDSRZJHOFGTOI-JOCHJYFZSA-N	411.546	3.618	10	20	HHCD	
O=S1(=O)CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC12CCCCC2	754011520	TZRYDMJXBNNNOT-UHFFFAOYSA-N	403.544	3.951	10	20	HHCD	
CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cc(C)n(-c3ccccc3C)c2C)cn1	754450596	SMRKPSBTUIXDND-CHJDUVSTSA-N	424.570	3.565	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cn(-c2ccccc2)nn1	756076656	PJTHPJWPDLEHMR-UHFFFAOYSA-N	404.518	3.599	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cc(Br)ccc1N1CCCC1	764242834	MFXXSSXFPWJCKZ-UHFFFAOYSA-N	420.307	3.825	10	20	HHCD	
COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(OC)c1OC	764635829	RAURAOQFLQGNFB-HNNXBMFYSA-N	404.482	3.539	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F	765563536	AGKDKCIXTNTJQM-UHFFFAOYSA-N	406.408	3.609	10	20	HHCD	
CCn1ncc(C(=O)NCc2cccc(Br)c2O)c1-c1ccccc1	765731118	GSASQPACRQXQEV-UHFFFAOYSA-N	400.276	3.968	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(-n2cnc3ccccc32)nc1	765736069	KPIYCQYDJHVTND-UHFFFAOYSA-N	423.270	3.819	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCN(Cc3noc(C)n3)CC2)cc1	769380597	KNPILAFKVHNNNO-UHFFFAOYSA-N	405.546	3.722	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(CCO)Cc2ccc(Cl)c(Cl)c2)c1O	774910154	RFLQMGLREBMIHA-UHFFFAOYSA-N	401.246	3.610	10	20	HHCD	
CC(C)C[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	775197625	NRIJAXIPVAJIDT-VXKWHMMOSA-N	424.541	3.803	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)CC2)cc1	777015484	XOLMADNTFZWCHZ-NHCUHLMSSA-N	408.464	3.788	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3CN3CCNC3=O)c2C)cc1	777832801	KJHCMBVRJVYWOH-UHFFFAOYSA-N	418.497	3.880	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C(=O)Nc1ccc2n[nH]cc2c1	778634517	NKHVKXPIFRDQQE-VAWYXSNFSA-N	405.502	3.561	10	20	HHCD	
CCOc1cccc(CNC2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)c1O	779177417	ALKBJJQUUXHMHR-UHFFFAOYSA-N	414.502	3.849	10	20	HHCD	
CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	780982863	CGFSSRWUGNYZCT-UHFFFAOYSA-N	402.516	3.625	10	20	HHCD	
COc1cc(O)c(CN[C@H]2CCN(c3cccc(Br)c3)C2)cc1OC	787303732	RQUYMJLCFCAJLN-HNNXBMFYSA-N	407.308	3.540	10	20	HHCD	
COc1ccc(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(O)c1	794379939	UXYASFSHUUFENF-SFHVURJKSA-N	400.475	3.673	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cscc2Br)SC1=S	794680297	NAMWLGXGTAQCJY-YHYXMXQVSA-N	406.348	3.665	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)c1	795082014	UYJZPJRRSXSUQK-JTQLQIEISA-N	407.257	3.779	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2-c2csc(C)n2)c1	796789933	KKYLJXVWINXMSC-GFCCVEGCSA-N	411.483	3.649	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SCc1nnc2n1CCOC2	797804826	WBWRRXWNYAZGCL-UHFFFAOYSA-N	420.336	3.747	10	20	HHCD	
Cc1ccc([C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)[C@@H](C)S(C)(=O)=O)cc1	798088113	HPNBSKJSYZHOLV-PXAZEXFGSA-N	412.895	3.526	10	20	HHCD	
COc1ccc(N2CCN(CCc3nc(N)c4c5c(sc4n3)CCCC5)CC2)cc1	798189959	QLQZBTOHQFOJCN-UHFFFAOYSA-N	423.586	3.526	10	20	HHCD	
O=C(CC1CCCCC1)NCCNC(=O)NCc1cc(Cl)cc(Cl)c1O	806667957	QTPDUPDUFDZOSR-UHFFFAOYSA-N	402.322	3.585	10	20	HHCD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)s1	808527707	LBOZZLMMWJZHPQ-UHFFFAOYSA-N	408.530	3.643	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c1O	808693681	MDOYJOMDZJMIQV-APWZRJJASA-N	415.965	3.902	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](n4cccn4)C3)cc2Cl)C1	812909227	STZYIBMHPVOCMS-FUHWJXTLSA-N	401.942	3.929	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cc(Br)nn3C)c2C)cc1	820237260	QGIJFLGGDLAOCL-UHFFFAOYSA-N	403.280	3.851	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cn(-c3ccccc3)nn2)cc1	914725870	WIJOBQYJXDDWGS-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
COc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1	916232252	JMPFNPSQNLTGAR-JOCHJYFZSA-N	404.422	3.896	10	20	HHCD	
COc1c(F)cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F	918308807	QQNSKZYUHOZWTL-UHFFFAOYSA-N	417.456	3.561	10	20	HHCD	
CCCCOc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	919775428	SUZNPCIAUBAITK-LJQANCHMSA-N	424.545	3.889	10	20	HHCD	
CSc1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1-c1ccccc1	920880486	BGPNUUWRBLWIPE-KRWDZBQOSA-N	422.554	3.922	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(NC(=O)NC(C)C)cc3)CC2)cc1	1116348139	OKSJTGQWHXFOAN-UHFFFAOYSA-N	410.518	3.578	10	20	HHCD	
COC(=O)c1cc([N+](=O)[O-])c(N2CCN(c3ccc(OC)c(F)c3)CC2)cc1Cl	301690883	WJKNMLYEXSUGCQ-UHFFFAOYSA-N	423.828	3.509	10	20	HHCD	
Cn1nc(Br)c2c(N(Cc3ccco3)Cc3ccccc3O)ncnc21	301974753	AZNLJMZWPRINAD-UHFFFAOYSA-N	414.263	3.631	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCc4ccccc43)cc2F)CC1	303338244	VMQCCONWVDVWGF-QFIPXVFZSA-N	410.537	3.797	10	20	HHCD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C2)c1	437003559	BOLJMFHFOGAZKF-SFHVURJKSA-N	422.529	3.731	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)ccc21	485174632	QUXYFFLKFIEXKG-LJQANCHMSA-N	408.498	3.817	10	20	HHCD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726564430	JPAKROQTYOTUHW-JLTOFOAXSA-N	418.440	3.602	10	20	HHCD	
CO[C@@H](C)c1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	727037182	JSULYQFOELWZHZ-INIZCTEOSA-N	408.454	3.860	10	20	HHCD	
COc1cccc(CNC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c1O	729859331	PCOAAXIDNSZMQX-NRFANRHFSA-N	418.493	3.887	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@@H](c2ccccc2F)C1	730579762	HUCBJTIDYPEOAZ-QGZVFWFLSA-N	401.457	3.501	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cncc(-c3cnn(C)c3)c2)cc1	731164521	IFCYIGNDYMHAHW-UHFFFAOYSA-N	415.497	3.984	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1cccc(C(=O)NC2CC2)c1	731844883	PYDAPHDEHZIMHH-UHFFFAOYSA-N	419.481	3.518	10	20	HHCD	
O=C1[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1c1ccccc1F	732820087	DCYCDENAULHHCV-SFHVURJKSA-N	412.465	3.619	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1	734059654	DPSBBBAHHIWECO-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1csc(I)c1	734405717	IHWSIVNCAJYOLF-UHFFFAOYSA-N	400.285	3.657	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	735692622	KPFSXGXSMDBNTK-QHCPKHFHSA-N	408.498	3.883	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(CC)cccc2CC)cc1	736063948	OVQAPSNOLMZDRE-UHFFFAOYSA-N	410.561	3.764	10	20	HHCD	
CN(CC(=O)NCCCOC1CCCCC1)Cc1ccc(N2CCCCC2)cc1	738299227	MRRKXSOJLSNYTD-UHFFFAOYSA-N	401.595	3.964	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(OCC(F)(F)F)cc3)c2)CC1	739774376	NHLRCNQFXYSUNZ-UHFFFAOYSA-N	421.419	3.582	10	20	HHCD	
COc1cc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)c(SC)cc1OC	741262211	FHZWCZCOOFZDQZ-UHFFFAOYSA-N	403.548	3.833	10	20	HHCD	
C[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C(F)(F)F	742755851	YKBNVYQZRJZEHB-DOMZBBRYSA-N	403.445	3.633	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]c2ccccc2c1=O	742800748	LYIYWHUNFBXYMB-AWEZNQCLSA-N	413.424	3.528	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1-n1cccn1	742801458	ZNMQFQWCTOZVQE-INIZCTEOSA-N	412.440	3.873	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(SC(F)(F)F)cc1	743048821	FLHYOSUJKJTGDS-UHFFFAOYSA-N	418.462	3.952	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)Oc1ccc(Br)cc1	743705846	RHRFSRUYBDPTHQ-AWEZNQCLSA-N	406.324	3.782	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc(NC(C)=O)cc1	743809236	PUIIZDXNRZBINJ-UHFFFAOYSA-N	405.292	3.704	10	20	HHCD	
CSc1ccc(F)cc1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	745646599	FWWFDFYOZMOBIB-UHFFFAOYSA-N	421.513	3.647	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ncc(C)c(OC)c1C	745786671	LKOGASPPKKLMIJ-UHFFFAOYSA-N	422.323	3.907	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)C2CC2)cc1	746118141	RSHCNRKZVCOTLN-IBGZPJMESA-N	412.578	3.608	10	20	HHCD	
O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccc(N2CCCCC2)cc1	746171937	CWQBMODEJRZMPB-UHFFFAOYSA-N	406.574	3.505	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC(O[C@@H]3CCOC3)CC2)cc1)C1CCCCC1	748624852	PLLSHFLXNKFKFT-HSZRJFAPSA-N	415.578	3.935	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2sc(Br)cc2C1	749465859	GTQOTOVEBQEPQK-UHFFFAOYSA-N	422.392	3.593	10	20	HHCD	
CCN(c1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1)C(C)C	749731766	YYDJDLCTPSCCCN-UHFFFAOYSA-N	406.577	3.615	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccc(OC)cc3)cc2F)CC1	749984446	XEYTZECNXRAUAN-SFHVURJKSA-N	413.537	3.786	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)O[C@H]3CCCN(c4ccccc4)C3=O)cs2)cc1	751931952	QSLOSHKGTIVRNS-IBGZPJMESA-N	407.495	3.669	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	752225080	SBCUYMUEUGBUPK-ZDUSSCGKSA-N	422.476	3.965	10	20	HHCD	
C[C@H](C[C@H](O)c1cccs1)NC(=O)NCc1ccc(N2CCSCC2)cc1	752652592	WLKRYSYHRNICEN-QAPCUYQASA-N	405.589	3.613	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](O)c1c(F)cccc1F	752909378	KCTUNMSZHPIANQ-RXVVDRJESA-N	403.473	3.659	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	753963424	KQEAFNWJRCFFMC-RBSFLKMASA-N	403.498	3.854	10	20	HHCD	
C[C@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cc(F)cc(F)c1O	756394707	ZJSFYCSIHNEKFI-AWEZNQCLSA-N	410.486	3.696	10	20	HHCD	
C[C@H](N[C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)cc(Cl)c1O	756574920	HIGLBQAOGVHBIU-GXTWGEPZSA-N	416.791	3.627	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3ccc([N+](=O)[O-])c(Cl)c3)cc2F)CC1	761519773	IFUPATLGIBPRBH-UHFFFAOYSA-N	406.889	3.819	10	20	HHCD	
COc1cc(O)c(CNC(C)(C)[C@@H](O)c2ccc(Br)cc2)cc1OC	762786280	KVJNHUSGYAGGBV-SFHVURJKSA-N	410.308	3.774	10	20	HHCD	
Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	765136472	POTXIXSROXKUAD-KRWDZBQOSA-N	402.498	3.780	10	20	HHCD	
Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl	765320931	AHHJMRTXIBINNJ-AZUAARDMSA-N	418.965	3.884	10	20	HHCD	
CCN(Cc1nc2cc(S(=O)(=O)CC)ccc2o1)c1ccc(OC)c(OC)c1	766861169	ZFXNIWAIQNHANA-UHFFFAOYSA-N	404.488	3.665	10	20	HHCD	
CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769401642	NSMQKZPGTBPYKV-SFHVURJKSA-N	409.914	3.957	10	20	HHCD	
Cc1ccc(N2CC[C@H](N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)C2=O)cc1	773014551	IMAKYDDGKICSPE-VGSWGCGISA-N	413.949	3.941	10	20	HHCD	
C[C@H](NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(N(C)C)cc1	773991246	XMNLHLSBGINNIC-RNXZQOMOSA-N	412.578	3.588	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1	775190078	JGGVKIBGWDHXLB-OAQYLSRUSA-N	411.571	3.514	10	20	HHCD	
C[C@H](NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1ccc(N(C)C)cc1	775832076	XDGLJLRLBQWFLD-OXJNMPFZSA-N	406.486	3.967	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc(Br)nn3C)SC2=S)cc1	778246274	IFNLMQMJOWGQLV-GHXNOFRVSA-N	410.318	3.597	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](O)[C@H](C)C2)c(C)n1-c1cccc(Br)c1	778255322	OTLIKSBEMGSPSY-BFUOFWGJSA-N	405.336	3.742	10	20	HHCD	
COCc1cccc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	779000965	NHHPBEOGJYVBAT-FQEVSTJZSA-N	402.922	3.515	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1	779493265	MLOIKMOFNNKMJP-UITAMQMPSA-N	420.431	3.864	10	20	HHCD	
COc1ccc(Cl)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	783315586	ZNLZMWIPFSATTG-UHFFFAOYSA-N	403.910	3.790	10	20	HHCD	
CC(C)(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1	788239816	APKWWLIACOHSQK-NRFANRHFSA-N	411.521	3.946	10	20	HHCD	
COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OC(F)F)c1	788832390	OIMNNMALBVWWMZ-CQSZACIVSA-N	406.429	3.624	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)c1ccc(N(C)C)cc1	789743963	LZNQMJNJFLHRHI-YQYZPQCESA-N	412.559	3.929	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cccc(OC)c2OC2CCCC2)c(O)c1	792939446	MEEOZYJVJRHGBJ-UHFFFAOYSA-N	400.475	3.730	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)cc(F)c1O	797041282	COPKPYWCAGGVQE-OCCSQVGLSA-N	414.319	3.625	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N(CCCO)Cc1ccccn1	797387223	CPAOKAWPVVJHBG-UHFFFAOYSA-N	417.469	3.847	10	20	HHCD	
CCOc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])cc1OCC	797611202	MNYZOKPDUVRYOT-GFCCVEGCSA-N	419.434	3.556	10	20	HHCD	
Cc1csc(=O)n1CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800048419	AUULTRZDPXSBLT-CQSZACIVSA-N	407.967	3.814	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1	802781944	JHOWYUJGSQWTEM-HNAYVOBHSA-N	404.457	3.735	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1F	803662817	NRGSVGVNBNFMRF-MRXNPFEDSA-N	421.925	3.515	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccsc1	804078762	PKYSDCBPNAIEAB-INIZCTEOSA-N	411.527	3.813	10	20	HHCD	
Cc1ccc(CN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C2CC2)o1	805025460	RWTBEPWDXMKLNE-UHFFFAOYSA-N	409.530	3.632	10	20	HHCD	
O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1cscn1	805337011	GVPDNDZLZDQOKH-UHFFFAOYSA-N	411.822	3.612	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nc(C2CCOCC2)cs1	806725174	HJEXGWSTPXVPRN-UHFFFAOYSA-N	416.547	3.538	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC[C@H]1c1cc[nH]n1	806877705	DRJCKLVDUCIQBF-BEFAXECRSA-N	419.476	3.917	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1nc(Cc2ccccc2)cs1)c1ccc(N(C)C)cc1	806985522	FYCPPALVBKKODU-HNNXBMFYSA-N	408.527	3.616	10	20	HHCD	
C[C@H]1[C@H](N2CCCC2)CCN1Cc1cc(Br)cc(Br)c1O	809724760	YJRURBMIRZXSQD-XHDPSFHLSA-N	418.173	3.976	10	20	HHCD	
COc1cc(Br)cc(CN2CCn3c(C4CCCC4)nnc3[C@@H]2C)c1O	809770091	YDKQFRUXEMVKSM-LBPRGKRZSA-N	421.339	3.989	10	20	HHCD	
O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccc3ccccc3c2O)CC1	816482213	YDXWKNQUSAPGJI-UHFFFAOYSA-N	422.959	3.767	10	20	HHCD	
O=[N+]([O-])c1cc(CNCc2ccccc2Cn2cncn2)ccc1N1CCCCC1	915227687	LECQWWMOBNAWCX-UHFFFAOYSA-N	406.490	3.515	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1	916382707	WFDWRZLIYBRNPV-UHFFFAOYSA-N	409.578	3.734	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)no1	916686948	XHOIPNJCABRQHA-KRWDZBQOSA-N	408.458	3.964	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN(C)S(=O)(=O)c3c(C)noc3C)c2C)c1	917397520	TWVPZRCDTNASNR-UHFFFAOYSA-N	415.515	3.511	10	20	HHCD	
CC(C)N(CC(F)(F)F)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	917672718	OXKAFRRYCWJBJA-UHFFFAOYSA-N	420.343	3.783	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc2cccnc12	918308602	NGQQSSBBOCCBFR-UHFFFAOYSA-N	402.498	3.822	10	20	HHCD	
CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1	919776741	TYHIUFVVLQRILX-UHFFFAOYSA-N	416.909	3.847	10	20	HHCD	
CCOCc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	1318886639	CQZABDYHSDMIBY-UHFFFAOYSA-N	401.482	3.645	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1	1320384859	DEWNIJHPEPTGIU-AUUYWEPGSA-N	406.523	3.619	10	20	HHCD	
CC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1795529968	KRBTWIVHIJOGSU-UADZTWIMSA-N	421.541	3.715	10	20	HHCD	
Cc1ccc(C)c(-n2nc(C)c(/C=C3\SC(N4CCOCC4)=NC3=O)c2Cl)c1	26763731	UTZNGRAZSHEANH-BOPFTXTBSA-N	416.934	3.753	10	20	HHCD	
COc1cc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])cc1OC	302136800	DHMLBNJBRKRJRA-LLVKDONJSA-N	400.357	3.669	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccnc(N4CCCC4)c3)cc2)CC1	303375329	LCFMLSYVYRJWHJ-UHFFFAOYSA-N	407.562	3.918	10	20	HHCD	
CN1CCCc2cc(CNC(=O)COc3ccc(F)cc3Br)ccc21	116153589	JIHXYWGTYOJFPH-UHFFFAOYSA-N	407.283	3.666	10	20	HHCD	
Cc1ccc2nc([C@@H]3CCCN3CC(=O)N(C)Cc3ccc(N(C)C)cc3)[nH]c2c1	809566631	PFZGIWUEWOBLCW-QFIPXVFZSA-N	405.546	3.733	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(N2CCOCC2)c(F)c1	806255543	NFTHYGBXZDFIFQ-UHFFFAOYSA-N	414.264	3.996	10	20	HHCD	
CC(=O)N[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C1CCCC1	800048488	CPUMXIYFTQTVOV-VFNWGFHPSA-N	405.970	3.887	10	20	HHCD	
Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cc(Br)ccc1O	807385139	CIZRSYZSKRBDPB-UHFFFAOYSA-N	405.292	3.841	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccsc1Br	804187130	UYXAYSOKIPELFG-UHFFFAOYSA-N	415.696	3.834	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]c2c(OC)cccc12	809701760	KLHFXZGDDPLVKB-UHFFFAOYSA-N	404.264	3.702	10	20	HHCD	
CC[C@]1(C)Oc2ccc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)cc2O1	472778414	MREBCWVEHMXVBQ-HSZRJFAPSA-N	407.470	3.639	10	20	HHCD	
C[C@@H](C1CC1)N(C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C1CC1	807952830	QELQZQARWJJNKY-CVEARBPZSA-N	417.981	3.982	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc(C)c(O)c2O)c2cccs2)cc1	727005453	PUHSDGVKFIWRHU-LJQANCHMSA-N	411.479	3.839	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1	729536214	XKAOIDHZJCAYAV-BEFAXECRSA-N	414.502	3.714	10	20	HHCD	
CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728197233	BGYBNSOUOGKCSG-MJGOQNOKSA-N	424.541	3.846	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCN([C@H]4CCCN(C)C4)CC3)c2C)c1	734486484	AKIPHMHBXNAGTG-QHCPKHFHSA-N	422.617	3.605	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCc3ccccc3CC2)c([N+](=O)[O-])c1Br	734833513	JWRXBFZLJXFBGO-UHFFFAOYSA-N	422.235	3.879	10	20	HHCD	
Cc1cccc(NC(=O)NC(=O)CN(Cc2ccco2)Cc2ccccc2O)c1C	731845394	ZPYAKCYEKTVALH-UHFFFAOYSA-N	407.470	3.953	10	20	HHCD	
CCN1CCc2nc3ccccc3c(C(=O)NCCCSc3nccs3)c2C1	733972287	PJEVWGZZRUQBEA-UHFFFAOYSA-N	412.584	3.982	10	20	HHCD	
CN(Cc1ccc(Br)o1)C(=O)NCc1ccc(N2CCSCC2)cc1	916624555	GKFCBCLUQCRSSE-UHFFFAOYSA-N	424.364	3.937	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3cnc4c(N(C)C)ncnc43)c2C)c1	731567312	SCLORYCFXGEDTP-UHFFFAOYSA-N	402.502	3.800	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccc(N2CCOCC2)cc1	746169307	YQUPXANZXKQUFK-RDPSFJRHSA-N	407.558	3.755	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cn(CC(C)C)cn2)nc1-c1cccc([N+](=O)[O-])c1	748637860	SBPYBFCUGRFLFQ-UHFFFAOYSA-N	421.504	3.680	10	20	HHCD	
Oc1ccccc1CN(C[C@@H](O)COc1cccc2ccccc12)C[C@H]1CCCO1	916633170	NRZFLFBQODARMM-FGZHOGPDSA-N	407.510	3.966	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC1CCN(C(C)(C)C)CC1	745681502	KFFZRKPGDYJAOJ-UHFFFAOYSA-N	412.372	3.949	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc(N(C)C)c1	745787600	AFOXLDCKCJLWGP-UHFFFAOYSA-N	406.324	3.952	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccc(Cl)cc3)C(C)C)nc12	917083463	YOTVEECRAVYVFJ-GOSISDBHSA-N	402.882	3.752	10	20	HHCD	
CN(C)C1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCCCCC1	915917204	IYQJSJCRJAGOLP-HXUWFJFHSA-N	403.567	3.737	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc3c(c2)CCCN3C)cc1	748536571	DWKLTGKWXWHKPR-SFHVURJKSA-N	415.603	3.950	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC2(CCOCC2)C1	745906052	VIBZIOXYBSAUIF-KRWDZBQOSA-N	423.504	3.859	10	20	HHCD	
O=C(NCc1ncc(-c2ccccc2)o1)N(Cc1ccccc1O)C[C@H]1CCCO1	916626569	SGQLUMPJLBSZGO-LJQANCHMSA-N	407.470	3.938	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1	918156566	QWJYOJYIRCEHHW-ATVHPVEESA-N	418.565	3.562	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCc1ccc(C)cc1	743870781	AXHZEQWVXKHDJE-OAHLLOKOSA-N	405.336	3.990	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Cc1cccs1	916986087	HOMWQNGVSPVHSC-IAGOWNOFSA-N	419.566	3.639	10	20	HHCD	
COc1ccccc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742751722	WLFUZAFETXANAI-LJQANCHMSA-N	413.518	3.757	10	20	HHCD	
CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1	757681286	BKOJPHZWODHMPZ-RTBURBONSA-N	422.614	3.783	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1	753024036	ANDFHQPFEPRUKI-QFIPXVFZSA-N	416.525	3.719	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(Cl)cc3F)cc2F)C[C@@H](C)O1	753822203	NXTIYWGDGFZCRD-OKILXGFUSA-N	424.875	3.927	10	20	HHCD	
COc1ccc(C(=O)CCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	752151959	PXTGIRZTADFIKQ-OAQYLSRUSA-N	411.498	3.962	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)c(O)c1O	752826054	JXBVTAXMLIVROC-UHFFFAOYSA-N	402.447	3.562	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4cc(F)ccc34)cc2F)C[C@@H](C)O1	751093344	HEEFYTNDWMIJEL-HUUCEWRRSA-N	413.468	3.919	10	20	HHCD	
CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1ccc2c(c1)OCO2	756654688	XOCZVMUTPJYUTB-INIZCTEOSA-N	409.467	3.884	10	20	HHCD	
COC[C@H]1CCCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	768326106	LRWLAKKWFZJWSA-INIZCTEOSA-N	411.493	3.715	10	20	HHCD	
CC(C)Oc1cncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	764907114	CVWPVYPMDCKBDI-UHFFFAOYSA-N	423.435	3.654	10	20	HHCD	
O=C(N[C@H]1CCN(C2CCCCC2)C1=O)N(Cc1ccco1)Cc1ccccc1O	767170853	IKQKUIOECHAKGA-FQEVSTJZSA-N	411.502	3.631	10	20	HHCD	
CCCC(=O)NC[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769208417	XQRLSMMWRHWLKI-LJQANCHMSA-N	402.539	3.713	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1NCc1ccc2c(c1)CCO2	762742757	AGHBMYCEHWHDOX-SLFFLAALSA-N	402.535	3.516	10	20	HHCD	
CCOc1cccc(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c1O	768818783	XSQYZTZUAOLOMD-QGZVFWFLSA-N	408.502	3.720	10	20	HHCD	
CCOC(=O)N(C)C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	769309641	SBUGUHXLWAJZFK-UHFFFAOYSA-N	404.511	3.638	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)Cc1nnnn1CC1CCOCC1	769769782	LJSDEWTUIOLBPB-GOSISDBHSA-N	407.518	3.569	10	20	HHCD	
COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)cc1	765001170	QWVGHNZBYRUIDH-UHFFFAOYSA-N	420.469	3.904	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cc(OC(F)F)n(C)n2)c(C)n1-c1cccc(F)c1	767720019	XTVFRHICZXMVRG-UHFFFAOYSA-N	421.375	3.608	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N(CCCO)Cc3cccc(Cl)c3)ccc21	771544119	GEJSXPYHVBZMGS-UHFFFAOYSA-N	401.938	3.817	10	20	HHCD	
Cc1cc(C(=O)N(C)C2(C(N)=O)CCCC2)c(C)n1-c1ccccc1Br	778393903	ATTUXFQSBFZZQE-UHFFFAOYSA-N	418.335	3.727	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccc(S(=O)(=O)N2CCCC2)cc1	1116565164	JRAXWWRYUUVLNH-QFBILLFUSA-N	400.544	3.823	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)cc1	776903894	AHRKWVFYTQHODF-KRWDZBQOSA-N	404.555	3.541	10	20	HHCD	
CC[C@@H](CSC)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	775516973	XRGNQXRCMVWLRV-LQELWAHVSA-N	414.643	3.987	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3c(F)cc(Cl)cc3F)CC2)cc1	775381073	QMBUKTGYBMQWRZ-UHFFFAOYSA-N	424.879	3.571	10	20	HHCD	
Cc1oc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2c1C	773260516	RVLHWUBBFUYOKQ-INIZCTEOSA-N	421.497	3.702	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1O	774841758	XHCJVWJVKKJJKN-CVEARBPZSA-N	413.257	3.706	10	20	HHCD	
COc1ccc(F)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782895694	GXXQACXMLUZMKP-UHFFFAOYSA-N	400.450	3.840	10	20	HHCD	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	788833774	WMFIZXIQYJCIGW-NRFANRHFSA-N	423.557	3.975	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c(s1)C[C@H](CC)CC2	789756249	DLJVYSQHVNKSBE-CQSZACIVSA-N	401.532	3.741	10	20	HHCD	
COc1ccc2c(c1)[C@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCS2	786578923	LAQQZIVVMZJFIF-DYESRHJHSA-N	411.571	3.724	10	20	HHCD	
CCOc1cccc(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1O	790601366	LNDUTQGGLKFRNG-UHFFFAOYSA-N	403.422	3.503	10	20	HHCD	
COc1ccc([C@H](CN(C)C)NCc2cc(Br)cc(OC)c2O)cc1	790653366	RSINNPPZXCTPHR-KRWDZBQOSA-N	409.324	3.564	10	20	HHCD	
COc1ccc([C@H](CN(C)C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	793574587	USQMEHBAXPJRRP-VGSWGCGISA-N	401.526	3.624	10	20	HHCD	
Oc1c(F)cc(Cl)cc1CNc1cnc(N2CCOCC2)c(Br)c1	798967162	QDYQXVWHXBGPEG-UHFFFAOYSA-N	416.678	3.791	10	20	HHCD	
COc1c(NCc2cc(Cl)cc([N+](=O)[O-])c2O)cc(Cl)cc1C(=O)N(C)C	790651071	BZLDBORBUGEKAG-UHFFFAOYSA-N	414.245	3.930	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1C(CC)CC	790367100	OLQRBMSGVDGGPF-UHFFFAOYSA-N	402.514	3.712	10	20	HHCD	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1319716485	UZIGMMQPDUDHPY-UULLZXFKSA-N	403.567	3.508	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc2ccc(C(C)C)cc12	1326426424	JWUOXHJZPZEAGM-SFHVURJKSA-N	411.454	3.872	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	17317609	XRUPJSDYYNEEIS-UHFFFAOYSA-N	415.603	3.997	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)CC1	302588833	AODAPNZQOPWOBK-UHFFFAOYSA-N	422.407	3.894	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)c2C)cc1	302959507	GFRUJDNZDLVEMU-HSZRJFAPSA-N	417.509	3.806	10	20	HHCD	
Cc1ccccc1OCCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	303001162	MYOQXVMOGJXCMR-UHFFFAOYSA-N	400.494	3.571	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	437008724	VCAHDLJNNNRIBE-UHFFFAOYSA-N	410.455	3.824	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1Br	472781626	CDQOGWWOUTVCQB-UHFFFAOYSA-N	414.303	3.813	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(Cc4cccs4)CC3)ccc21	484883165	UPXNZTZCMOUYER-UHFFFAOYSA-N	411.571	3.924	10	20	HHCD	
CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	556117068	JVNWPFLPTZEUHP-LJQANCHMSA-N	407.514	3.769	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCOc2cc(N(C)C)ccc21	608250466	RAAUVFQXIPDKEX-MRXNPFEDSA-N	409.530	3.594	10	20	HHCD	
O=C(Nc1cccc(Cl)c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726727440	ZXCFXNDGXOPTBZ-UHFFFAOYSA-N	423.847	3.665	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCCOc3cccc(C)c3)cc2F)CC1	730192783	NGWQDVGXEYPFLV-UHFFFAOYSA-N	413.537	3.751	10	20	HHCD	
COC1CCN(C(C)(C)CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1	730791149	QZOOSAIEFBSCRZ-UHFFFAOYSA-N	401.526	3.852	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC(F)F	731857007	WEXIJAHVKZZZSU-INIZCTEOSA-N	407.413	3.824	10	20	HHCD	
COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(N4CCCC4)cc3)CCC(=O)N2C)cc1	734422377	UQYDQMBLZFNWLI-UPVQGACJSA-N	421.541	3.521	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1	734522642	RVPUBPMBMTXWFZ-PMACEKPBSA-N	424.589	3.670	10	20	HHCD	
Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1OCCC(C)C	740168195	SGDRTKIXNIPJFI-UHFFFAOYSA-N	406.504	3.749	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1	742334129	FXYGFOZDEYEYKM-AWEZNQCLSA-N	414.449	3.683	10	20	HHCD	
COc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	743421747	SFDNMKJYANEVCF-UHFFFAOYSA-N	413.493	3.858	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C[C@@H](C)S1	743555116	QCAUFMZNSMPQQF-ZIAGYGMSSA-N	417.497	3.577	10	20	HHCD	
CC(C)(C)c1ncc(/C=C\C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)s1	744361890	HMTRJFAJBCOKLU-YFHOEESVSA-N	404.557	3.837	10	20	HHCD	
CCc1ccc([C@@H](COC)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1	745846988	KAIABTNAOCPNIT-RBUKOAKNSA-N	402.491	3.626	10	20	HHCD	
CCOC(=O)c1cnc2ccccc2c1N(C)Cc1ccc(N2CCOCC2)cc1	747802655	DIPHEKJBNNUCNY-UHFFFAOYSA-N	405.498	3.885	10	20	HHCD	
O=C(Nc1nc(C2CC2)cs1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748025651	UILMYSXIIXIXOP-UHFFFAOYSA-N	421.525	3.841	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1O	748049911	WYDVUDHFAAJIPD-HNNXBMFYSA-N	417.456	3.907	10	20	HHCD	
CCCN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)Cc1ccccc1O	750875091	LRSLNLLWFBLNNW-UHFFFAOYSA-N	414.506	3.725	10	20	HHCD	
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)c1	751931494	QKDFNROTOSFWRH-CQSZACIVSA-N	423.494	3.703	10	20	HHCD	
O=C(c1nn(-c2ccccc2F)cc1O)N(Cc1ccco1)Cc1ccccc1O	752089107	ROYZEANBPACPPM-UHFFFAOYSA-N	407.401	3.858	10	20	HHCD	
C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCCCSc1nccs1	752687381	JTNLJKSOIJDTPY-KGLIPLIRSA-N	414.597	3.570	10	20	HHCD	
CC(C)CCn1ncc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1C(C)C	753823174	RHVATUXPWBDQAU-UHFFFAOYSA-N	417.529	3.513	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	754128496	MZTYZBAVYNQWBR-GUDVDZBRSA-N	421.488	3.514	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2nc(Cl)cnc2c1	760856573	OERRAGUAFSVTNZ-UHFFFAOYSA-N	404.923	3.560	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(-c2ccc(F)cc2)on1	762232977	COCDSRXQZZQUMC-UHFFFAOYSA-N	413.424	3.511	10	20	HHCD	
CC(C)(C)Sc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)cn1	762351264	RITQQIOEQYNOBQ-UHFFFAOYSA-N	420.516	3.766	10	20	HHCD	
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1	764764374	PFYFXCRLRDCYJY-WMLDXEAASA-N	418.335	3.789	10	20	HHCD	
Cc1c(C(=O)NCc2cccc(Br)c2O)nnn1-c1ccccc1Cl	765747456	NVEHGKNBHXNBTK-UHFFFAOYSA-N	421.682	3.627	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2cccc(Cl)c2)cc1	768879867	AHAQLNGSYKSENT-ZRDIBKRKSA-N	414.936	3.904	10	20	HHCD	
COc1cccc(CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	768911904	JQSLIRUDMOPYDL-LJQANCHMSA-N	402.922	3.768	10	20	HHCD	
COc1ccccc1OCC(=O)Nc1cccc(NCc2cc3c(cc2O)OCO3)c1	770497495	XCXFCNFWPGCSDL-UHFFFAOYSA-N	422.437	3.759	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN[C@H](C)[C@@H]2CCOC2)sc(C)c1-c1ccccc1	771812250	LMQYEYNBKMWXLP-RHSMWYFYSA-N	416.543	3.853	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C	773757462	SWZJEXDVGSHKOM-RQVMVGKASA-N	406.523	3.619	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccnc1OCc1ccccc1)c1ccc(N(C)C)cc1	773847972	QOJMUHZQHRIEEJ-QGZVFWFLSA-N	418.497	3.543	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](c3ccccc3)C3CC3)cc2)CC1	774379593	LXCFAVRLUAXMCJ-QHCPKHFHSA-N	405.542	3.807	10	20	HHCD	
CC[C@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1O	775491967	JRBUYIMYXSSIRB-KRWDZBQOSA-N	424.376	3.742	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1	775678626	HGCIEUSBCPPQSY-IBGZPJMESA-N	416.610	3.564	10	20	HHCD	
CC(C)(C)OCc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)no1	777270093	VRAIFTXNLPIOIG-SFHVURJKSA-N	417.506	3.586	10	20	HHCD	
CC[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1nccn1C	777303053	WLQMRVRLKWYZGF-RTBURBONSA-N	401.555	3.793	10	20	HHCD	
O=C(NCCNc1cccc(Br)c1)NCc1ccc(N2CC=CC2)cc1	779358723	SPYOWEDDYDVFJX-UHFFFAOYSA-N	415.335	3.737	10	20	HHCD	
COCCO[C@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	780489795	OLXRQUVHGQFEJP-SFHVURJKSA-N	409.482	3.711	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C	786052797	RTZMULIZFJAZRC-HXUWFJFHSA-N	401.938	3.844	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](OC(C)(C)C)c3ccccc3)cc2)CC1	786659790	PMGCRKXGHLPPCF-QHCPKHFHSA-N	423.557	3.528	10	20	HHCD	
COc1cc(N2CCN(Cc3cnc(-c4ccco4)s3)CC2)cc(OC)c1OC	787271604	MUFNTVMJGZCXCQ-UHFFFAOYSA-N	415.515	3.751	10	20	HHCD	
C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1O	788748803	BLKNDMNTSJWQEH-HNAYVOBHSA-N	422.447	3.532	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](O)c1ccccc1	788873856	FYUFPKCSTXNFBV-VXKWHMMOSA-N	413.587	3.797	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc2c1OC(C)(C)C2	789595821	XAMBVHQILWHYAG-UHFFFAOYSA-N	409.530	3.842	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3nc(C(C)C)c(C)s3)cc2F)CC1	789935174	QALCLGVSFAZLCD-UHFFFAOYSA-N	418.582	3.715	10	20	HHCD	
CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc3oc4ccccc4c3cc2O)cn1	792716216	WHUUIXOOUSZBJA-ADXZGYQBSA-N	409.511	3.814	10	20	HHCD	
CCOCCCN1CC[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)C1	792976749	UGBSEWXNNJCJPW-OXQOHEQNSA-N	401.517	3.998	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H](C)c3ccc4c(c3)OCO4)cc2F)C[C@@H](C)O1	794237958	GHAZXWSIMCLXSJ-BZUAXINKSA-N	414.477	3.588	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c(O)c1	794371005	VAHMRNNEQBQKDM-KRWDZBQOSA-N	423.296	3.629	10	20	HHCD	
C[C@@H]1C[C@@H](N2CCOCC2)CN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	796376457	MVISXSLRLVXKRL-XMSQKQJNSA-N	407.518	3.836	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2ccccc2c(=O)o1	797731280	ADWGRZNPKNBCDN-OAHLLOKOSA-N	414.408	3.793	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C3(S(C)(=O)=O)CCCC3)cc2Cl)C1	800047827	QSAVUHVTGKHPLJ-HNNXBMFYSA-N	412.983	3.550	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCC3C[C@@H](C)O[C@H](C)C3)cc2F)C[C@@H](C)O1	801745853	XGPBKMDXFIEACD-TVFCKZIOSA-N	421.557	3.832	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](CNC(C)=O)C1	802045325	NKGLJFAGMNMRCD-FQEVSTJZSA-N	420.561	3.725	10	20	HHCD	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	802550337	WJCMRCXKJNIBDB-UHFFFAOYSA-N	420.488	3.859	10	20	HHCD	
C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)CC(=O)N2C	805063628	DSFHZNSRJZMJSH-JTQLQIEISA-N	408.285	3.778	10	20	HHCD	
COc1cccc(CN[C@H](C)c2ccc(Br)cc2OCCCO)c1O	812784031	RLOKOKYUMGAFQM-CYBMUJFWSA-N	410.308	3.775	10	20	HHCD	
COc1ccc(C=O)c(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	915117920	JFHDLZRSALHYRA-UHFFFAOYSA-N	422.481	3.775	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N(C)[C@@H](C)c3ccc(C)cc3)CC2)cc1	916197246	YBXOFZZQZKFBTL-NRFANRHFSA-N	424.589	3.918	10	20	HHCD	
O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	917364991	URTJJEBRZKXZHL-VXKWHMMOSA-N	411.498	3.771	10	20	HHCD	
Cc1cc(CC(=O)N2CCN(C[C@@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1	918687595	VWHWHBDKBOEVRD-QFIPXVFZSA-N	415.965	3.613	10	20	HHCD	
O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc(N2CCC(O)CC2)c(F)c1	919971468	ZOMNUGMRDCGWGD-UHFFFAOYSA-N	423.488	3.691	10	20	HHCD	
CCCCO[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	920918206	XMNIPYCMOOFDJK-GJZGRUSLSA-N	423.465	3.537	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(F)cc4nc(C)c(C)nc34)CC2)cc1	1319624703	VNWGXJMBDSCLDO-UHFFFAOYSA-N	408.477	3.747	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(CCC(C)=O)cc3)CC2)cc1	1319734353	XTNNXTCPBZXADD-FQEVSTJZSA-N	424.541	3.723	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CC2)cc1	1323194009	VXNPVGRTNWJCMQ-UHFFFAOYSA-N	408.542	3.791	10	20	HHCD	
CCOc1ccc(N2CCN([C@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)CC2)cc1	1324213236	JYIMAJWAMMTAOA-JPYJTQIMSA-N	411.521	3.709	10	20	HHCD	
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1	1325053216	YZUSAZGGXSXOMB-ZDUSSCGKSA-N	407.312	3.524	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)C)CCO3)cc1	1781754061	RCVXZXDWCFJTAZ-RUZDIDTESA-N	423.557	3.584	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccnc3Nc3ccccc3F)CC2)cc1	9704166	ZYFFHZQCNFOMHK-UHFFFAOYSA-N	406.461	3.935	10	20	HHCD	
Fc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1F	139819194	GHCLOPJDTRSFIL-UHFFFAOYSA-N	413.447	3.510	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(OC)c(NC(C)=O)c3)ccc21	483495200	LPNJNLCECNQBNL-UHFFFAOYSA-N	423.513	3.802	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)C[C@H](C)O1	542014875	KPOIEQCZQAGJOB-ROUUACIJSA-N	424.545	3.793	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3cccc(OC)c3OC)ccc21	590667262	LJZZBPUEZZIAHP-UHFFFAOYSA-N	410.514	3.894	10	20	HHCD	
COc1cccc(O)c1CNC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1	725850665	GDNKDNMETKINPH-GOSISDBHSA-N	410.436	3.583	10	20	HHCD	
O=C(CCOc1ccc(F)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726567360	IJMPQYBRIBAHPA-UHFFFAOYSA-N	408.420	3.981	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C(C)(C)CO)c(C)n1-c1ccc(OC(F)(F)F)cc1	726668356	QFONGNDSENDROG-UHFFFAOYSA-N	413.392	3.737	10	20	HHCD	
CCN(Cc1ccncc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726717800	DVRKQPQABJSXID-UHFFFAOYSA-N	404.461	3.884	10	20	HHCD	
O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)c(F)c2)N1Cc1cccnc1	727464121	QPWQSDKORCSOSQ-QHCPKHFHSA-N	418.472	3.824	10	20	HHCD	
CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1	734942250	MGWZDTDFQRBFDL-PMACEKPBSA-N	414.594	3.746	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(C)n1-c1cccc(C(C)C)c1	736269829	GXDYMTGNJPVNFW-SJLPKXTDSA-N	402.560	3.865	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCN(CC4CCOCC4)CC3)c2C)c1	736318433	IYBMGCGKLKKQHL-UHFFFAOYSA-N	423.601	3.938	10	20	HHCD	
COC(=O)c1cc(Cl)cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	737014957	IZWSFHWIRZERSZ-CQSZACIVSA-N	417.893	3.846	10	20	HHCD	
Cc1cc(C(=O)CN2CCn3c(nnc3C(F)(F)F)C2)c(C)n1-c1cccc(F)c1	739931110	QHUULJFKFCLIMG-UHFFFAOYSA-N	421.398	3.542	10	20	HHCD	
CCn1c(O)nc2cc(C(=O)Nc3cccc(N4CCCCCC4)c3)ccc2c1=O	740800934	JBDQIQIVRFCVDH-UHFFFAOYSA-N	406.486	3.755	10	20	HHCD	
CC[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N1CCc2ccccc2C1	740904807	OUPSATBFGIFEAE-HSZRJFAPSA-N	404.558	3.699	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1NC(=O)CC(C)C	742056162	PGXYZWBMVKMPNX-UHFFFAOYSA-N	409.530	3.746	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(N)=O)c(C)c1	743141516	KZYXBFULKCJMNT-UHFFFAOYSA-N	406.280	3.616	10	20	HHCD	
Cc1cnc([C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)s1	743565417	WHEMXEZDGZYFCJ-KXBFYZLASA-N	400.548	3.800	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCCCC3CCCC3)cc2)C1	743704111	LGIFDVWOYRJUOW-FQEVSTJZSA-N	400.567	3.548	10	20	HHCD	
CC(C)[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC1	745804769	PJDPTVJOZFTYIP-FXAWDEMLSA-N	424.536	3.676	10	20	HHCD	
CC(C)[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC1	745804772	PJDPTVJOZFTYIP-YLJYHZDGSA-N	424.536	3.676	10	20	HHCD	
Cc1cnc([C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C2CC2)s1	745866235	NIFPTPUFCZNXAW-LJQANCHMSA-N	400.548	3.581	10	20	HHCD	
CC[C@@](C)(NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(F)(F)F	746481789	HPUZHRZWZGYLBW-HXUWFJFHSA-N	404.388	3.721	10	20	HHCD	
Cc1cc(CC(=O)N2CCN(C3CCOCC3)CC2)c(C)n1-c1ccc(Cl)cc1	747334683	JKSRMZQFLFGUSG-UHFFFAOYSA-N	415.965	3.613	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]1c1cccc(Br)c1	747414512	BKNSGHWGEDAHRM-PMACEKPBSA-N	415.331	3.706	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3O)c2)cc1F	748350388	PSEIAWXYFQAELM-UHFFFAOYSA-N	414.458	3.571	10	20	HHCD	
C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	751084662	RPGFSSRJROGZHG-OYHNWAKOSA-N	415.484	3.924	10	20	HHCD	
O=C(CCN1C(=O)CCc2ccccc21)Nc1c(-c2ccccn2)nc2ccccn12	751306850	CGDZEGBTNFGVJR-UHFFFAOYSA-N	411.465	3.704	10	20	HHCD	
COC(=O)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc(F)cc1	751930644	IMXOGSGIGJFXIZ-GOSISDBHSA-N	400.431	3.526	10	20	HHCD	
CN(c1ccc(CNc2ncnc3c2cnn3-c2ncccn2)cc1)C1CCCCC1	752634938	JLHARIRYTPWVGU-UHFFFAOYSA-N	414.517	3.987	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1O	753043395	ZWFBTZCXAKEJPE-LLVKDONJSA-N	402.838	3.665	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1F	759342480	IAJHMRSDUDZCQW-LJQANCHMSA-N	423.435	3.776	10	20	HHCD	
COCCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)cc1	760032774	XUDOLPDEWPFEEB-LBPRGKRZSA-N	418.342	3.970	10	20	HHCD	
Cc1nc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)n[nH]1	761434674	LVEISXKZDLBXET-INIZCTEOSA-N	417.473	3.873	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)NCc2cccc(Br)c2O)C1	764763561	NLBWCWAVDNBDAY-GASCZTMLSA-N	412.372	3.712	10	20	HHCD	
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(Br)c1O	765747005	JPSRYXUMWFLVNE-AWEZNQCLSA-N	413.312	3.561	10	20	HHCD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	765975201	BEMHWXMXQZPFOH-RHSMWYFYSA-N	418.335	3.501	10	20	HHCD	
CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769388149	QTRREUMIAQHHBT-LJQANCHMSA-N	416.566	3.959	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(Br)cc3OC)c2)CC1	770154912	SBLKUGKUNBQQBK-UHFFFAOYSA-N	418.335	3.852	10	20	HHCD	
CCCCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)n1	770246341	PPFFUCLZNPOSBW-MRXNPFEDSA-N	406.477	3.992	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](c1ccccc1)n1cccn1	771062980	CUEIWLKKXFJFNY-IFMALSPDSA-N	424.932	3.612	10	20	HHCD	
C[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(N2CCCCC2)cc1	773075911	LQNNEGBTIJTYCC-KRWDZBQOSA-N	407.605	3.710	10	20	HHCD	
C[C@@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)[C@@H]1C	774758754	REXRKIZMCPYPSM-HMFYCAOWSA-N	411.546	3.815	10	20	HHCD	
Cc1ccccc1[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C	775407664	QIDXEKUALQTZJL-DEOSSOPVSA-N	413.537	3.574	10	20	HHCD	
CCn1cc([C@H](C)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1	777300468	DQXNXFMSFREMGL-JXFKEZNVSA-N	401.555	3.886	10	20	HHCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	778456350	NOHCYQUIPRBUKD-PKOBYXMFSA-N	404.894	3.540	10	20	HHCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@H]1CCN(Cc2ccccc2)C1	778799968	KMGGRIWYQJTTJJ-RXVVDRJESA-N	407.558	3.981	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1F	782424095	ZMQHIFGBTOQJFR-UHFFFAOYSA-N	409.461	3.961	10	20	HHCD	
COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1[N+](=O)[O-]	782619796	HXDNNEOLGSTSRA-INIZCTEOSA-N	401.419	3.522	10	20	HHCD	
C[C@H](NC(=O)NCCc1ccc(F)c(F)c1F)c1ccc(N2CCOCC2)cc1	784244136	CISJUBGRPOBXLS-AWEZNQCLSA-N	407.436	3.543	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(C)cc1C	785191820	HXUPLUJCRBFCLN-UHFFFAOYSA-N	405.292	3.759	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCN(C3CCOCC3)C[C@@H]2C)c1C	785975692	VZGNRJLWMLEIHI-FQEVSTJZSA-N	409.574	3.770	10	20	HHCD	
C[C@H](CC1CCCCC1)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	787017163	YEDLVGAJJUHATG-YLJYHZDGSA-N	400.567	3.546	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	787243300	PSRFKWYDLQSECN-UHFFFAOYSA-N	410.396	3.987	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C	788723720	GHVUGCPYRUHCBU-INIZCTEOSA-N	423.311	3.794	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cn1	790102139	YOVXMNBUAYSQGS-WJDWOHSUSA-N	403.504	3.709	10	20	HHCD	
C[C@]12CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@H]1C2(Cl)Cl	790674185	TYABEACCDNIZNT-AEFFLSMTSA-N	414.402	3.965	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Br)cn1	792958247	VNOZWSAEAKHUHV-AWEZNQCLSA-N	401.308	3.781	10	20	HHCD	
CO[C@H]1CCC[C@H](CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	793102985	PVOWBNMFSPKLTN-YJBOKZPZSA-N	414.468	3.754	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	793673838	IAAUDQYJHOVNFE-OAHLLOKOSA-N	401.938	3.677	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cc(Br)cs2)SC1=S	799201367	ZVPMTVAUEDLAOD-POHAHGRESA-N	406.348	3.665	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl	799252053	FNXHCXYKZPZQQY-UHFFFAOYSA-N	415.646	3.544	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(C(N)=O)cc3)cc2Cl)C1	800001396	VCQWCQKTVFPHMB-CQSZACIVSA-N	400.910	3.997	10	20	HHCD	
CCCCN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O	801595172	XKGQFGFDOXBBNK-UHFFFAOYSA-N	411.546	3.860	10	20	HHCD	
Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)CC2	805058588	TXVVPYGQGBHBMB-OAQYLSRUSA-N	404.466	3.626	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1c[nH]c2c(CC)cccc12	805196746	MNDXMUPYQHJTRU-UHFFFAOYSA-N	407.514	3.533	10	20	HHCD	
O=C(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(Cl)cc1	806508407	JYQPPEJTUKJSDZ-UHFFFAOYSA-N	402.665	3.790	10	20	HHCD	
O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCc1cc(Cl)cc(Cl)c1O	807839516	GPNBNUZFVQSBET-UHFFFAOYSA-N	424.252	3.554	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)CC(F)(F)Br)ccc21	807865051	YFXODNDQAGENIW-UHFFFAOYSA-N	403.267	3.964	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)c(OC)cc2Cl)cc1F	808923729	CMZJTJHACAIJAV-UHFFFAOYSA-N	421.900	3.897	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1	809195728	LJJOQOHLDSGQGS-FPOVZHCZSA-N	411.521	3.693	10	20	HHCD	
Cc1oc2ccccc2c1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	809498601	OKMZODMCMWNSLH-UHFFFAOYSA-N	407.514	3.861	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccnc(C(F)(F)F)c2)cc1	809579785	GSVMOUXEHTXMIW-SFHVURJKSA-N	407.436	3.988	10	20	HHCD	
Cc1noc([C@H]2CCCN2Cc2cc(Br)cc(Br)c2O)n1	809721053	LWZLBNANKBUIHP-GFCCVEGCSA-N	417.101	3.946	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2nc(-c3ccc(SC)cc3)ns2)c1	809930972	BQCHIGYQYSNATB-UHFFFAOYSA-N	402.501	3.963	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1Br	811848711	PWUCAYMJKXFCIX-SSDOTTSWSA-N	410.171	3.756	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H]1CCCCC(F)(F)C1	813591737	UXYBDZPIWXDTCU-IBGZPJMESA-N	409.521	3.910	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C\c1cnc(C)s1	819518826	GYOMPIJHMIUMNN-ALCCZGGFSA-N	401.532	3.853	10	20	HHCD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(C)n(-c2ccccn2)c1C	914847347	ISIKUTQNPWFWBC-UHFFFAOYSA-N	420.513	3.989	10	20	HHCD	
CC(C)CCOc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	917832619	DGZGVRNEMBCVBW-NRFANRHFSA-N	423.557	3.743	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)Cc3cccs3)cc2F)C[C@@H](C)O1	918207508	DQQNLMLPOAXCJH-OAGGEKHMSA-N	405.539	3.931	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(Cl)c4c(c3)OCCCO4)CC2)cc1	1116419307	FNJRSLVVJYXBDB-UHFFFAOYSA-N	416.905	3.862	10	20	HHCD	
CCCN(Cc1nc(O)c2sccc2n1)C(=O)NCc1ccc(N(C)C)cc1C	1251889204	ICIDHICTLHGGML-UHFFFAOYSA-N	413.547	3.893	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3cccc(Cl)c3F)cc2F)CC1	1318840067	RFMPDDCXQOCZSW-UHFFFAOYSA-N	422.907	3.760	10	20	HHCD	
C[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F	1319534946	MZFZSALXQGGYLJ-CYBMUJFWSA-N	421.423	3.965	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2cccc(OCC(F)(F)F)n2)C2CC2)cc1	1324828817	MICVGAGLFMQLII-UHFFFAOYSA-N	422.451	3.963	10	20	HHCD	
CCc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2nc1CC	21653408	PXSAKBNEZLAVQU-UHFFFAOYSA-N	404.514	3.726	10	20	HHCD	
Cc1cccc([C@@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)N2CCOCC2)c1	106264592	GRSUATMPSQJBKH-HSZRJFAPSA-N	418.541	3.601	10	20	HHCD	
Cc1sc2nc([C@@H](C)N[C@@H](C)c3ccc(N4CCOCC4)cc3)[nH]c(=O)c2c1C	140202956	WNZRKXZMGDSOAQ-LSDHHAIUSA-N	412.559	3.850	10	20	HHCD	
COc1ccc(N(C)CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1OC	140344237	AEEMGLIFUIXMOW-ZDUSSCGKSA-N	412.408	3.916	10	20	HHCD	
O=C(NCc1ccnc(N2CCCC2)c1)N(Cc1ccco1)Cc1ccccc1O	726089492	HCECQVNSZOJDDL-UHFFFAOYSA-N	406.486	3.892	10	20	HHCD	
O=C1/C(=C\c2cc(Cl)c3c(c2)OCCO3)SC(=S)N1CCc1ccccn1	726197534	UFEMKGQHOAWJGL-LFIBNONCSA-N	418.927	3.950	10	20	HHCD	
CCn1c(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)nc2ccccc21	726611009	ORDKMVNKSZQNNH-UHFFFAOYSA-N	407.518	3.533	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)c1	729050125	WKUOQZAYNHBMGU-HUUCEWRRSA-N	407.511	3.551	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)Oc3ccccc3Cl)cc2F)CC1	730192575	GZPGEXDRCYFGPL-MRXNPFEDSA-N	419.928	3.705	10	20	HHCD	
CCCCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	731119533	ABVDFTIIBMTMCF-UHFFFAOYSA-N	414.594	3.761	10	20	HHCD	
COc1c(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(C)nn1C	732850979	FVCDPNSSEVPKKM-UHFFFAOYSA-N	407.430	3.948	10	20	HHCD	
O=C(CC1CCCC1)NC1CCC(C(=O)NCCCSc2nccs2)CC1	733974343	NGLGOFHYEBWEOZ-UHFFFAOYSA-N	409.621	3.997	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCC(C)(C)c3cccs3)cc2F)CC1	734014478	QIJQIJJPZSTLAQ-UHFFFAOYSA-N	418.582	3.806	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)ccc21	734391012	UXQDJMMOIRHHBH-KNQAVFIVSA-N	411.933	3.558	10	20	HHCD	
Cc1cc(C(=O)CN2CCCC[C@@H]2C(N)=O)c(C)n1-c1cccc(C(F)(F)F)c1	741992731	LWMLKKSAUDRJKT-GOSISDBHSA-N	407.436	3.635	10	20	HHCD	
C/C(=C/C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(C)(C)C	742572669	FBTHGPANFCHOAX-VKAVYKQESA-N	411.525	3.551	10	20	HHCD	
COc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1	742750733	PIDWWXVYBLMUFB-FQEVSTJZSA-N	413.518	3.757	10	20	HHCD	
CCc1ccc([C@H](NC(=O)c2cc(O)cs2)c2cccc(S(C)(=O)=O)c2)cc1	743750571	LMDGQTRXOGGOSJ-FQEVSTJZSA-N	415.536	3.939	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cn1c(S)nnc1CCC1CCCC1	746503806	QRXIPFMKNZLBDE-UHFFFAOYSA-N	415.607	3.616	10	20	HHCD	
CCO[C@@H](CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)C1CCCC1	747512429	PNQUQGJPBAZJPB-QFIPXVFZSA-N	403.567	3.949	10	20	HHCD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	747810610	YSQKZZJEMHPULJ-HSZRJFAPSA-N	419.566	3.675	10	20	HHCD	
CN(C(=O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCCCC1	748988754	WHBGGFDQNDIIMU-UHFFFAOYSA-N	421.501	3.948	10	20	HHCD	
Cc1ccc(Cl)c(OC[C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1	754136007	HXICHBVYCFEYSE-XLIONFOSSA-N	404.938	3.576	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1O	756785539	VVWYJBOSLZPITO-KBXCAEBGSA-N	403.320	3.997	10	20	HHCD	
CCc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1CC(C)C	756794769	XYVGCTZPALNSQC-SFHVURJKSA-N	418.969	3.855	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(I)c1	756938140	MLQWLAQFNIGYQX-UHFFFAOYSA-N	423.298	3.803	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCOc1cccc(C(F)(F)F)n1	759621285	GOFRIYASAYIUFW-UHFFFAOYSA-N	410.440	3.777	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(-c4ccc(C)cc4)no3)CC2)cc(OC)c1OC	759885723	GEESJEPEVUQHQI-UHFFFAOYSA-N	423.513	3.998	10	20	HHCD	
CCO[C@@H]1COCC[C@H]1N[C@H](C)c1cc(Br)cc(Br)c1O	760890673	YBDVANWTONMSLY-OWYVNGRQSA-N	423.145	3.762	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)NCCCSc1nccs1	764244438	WYNNWNIHPQGPPS-AWEZNQCLSA-N	411.593	3.779	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cccc(CN2CCCC2=O)c1	765229493	WPCOGCXJKLTXDG-UHFFFAOYSA-N	418.291	3.599	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(N2CCCC2=O)cc1	765295654	GDZZODLVKAVOGT-LJQANCHMSA-N	407.558	3.873	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1C1CCCC1	765685039	MHBMSDKFCXFDEB-HNNXBMFYSA-N	404.461	3.998	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c(C)n1-c1ccc(Br)cc1	768450204	SMCUKHADRLXRND-RZFZLAGVSA-N	411.365	3.696	10	20	HHCD	
O=C(NC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1)Nc1ccccc1	768528052	HCBNMDWQHSLUSW-HSZRJFAPSA-N	408.546	3.699	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cccc(OC)c1OC(F)F	769382059	TZANTIHOBUOLGP-UHFFFAOYSA-N	415.820	3.831	10	20	HHCD	
C[C@H](NC(=O)c1csc(I)c1)c1ccc(N(C)C)cc1	773000861	QCRYFRYOCFXMST-JTQLQIEISA-N	400.285	3.910	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccn(Cc2ccccc2)n1	773408709	VBKZNPHXVWCLAB-FQEVSTJZSA-N	424.932	3.685	10	20	HHCD	
CC[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1cc(Br)ccc1O	775486757	GUCPJAOVKXFIBN-MRXNPFEDSA-N	413.337	3.767	10	20	HHCD	
COc1ccc(SC)c(OC)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	775676497	WXVRSKSIZNDAEH-HNNXBMFYSA-N	416.543	3.753	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2csc(N)n2)c(C)n1-c1ccc(F)c(Cl)c1	779115277	GVLFLLJYSNMMRY-UHFFFAOYSA-N	407.854	3.965	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@@H]1CCC=CO1	781491289	XDFIXJNSIGXJBV-WZMONFQBSA-N	408.570	3.538	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccnc2-c2ccc(C)s2)c1	782543979	JTHRZTKKCANLRE-ZDUSSCGKSA-N	411.483	3.649	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)cc1F	782791220	KJHSNORMXZYSHT-UHFFFAOYSA-N	423.435	3.602	10	20	HHCD	
CN(C)CCc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1	784061386	AZVPQIRLNYLKGI-UHFFFAOYSA-N	408.546	3.677	10	20	HHCD	
CCS(=O)(=O)c1ccc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	786053757	VCQCOCINNFWQAA-HZPDHXFCSA-N	406.523	3.845	10	20	HHCD	
COCc1ccc(CNC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	787503939	IJMXVLQBIGQWNQ-UHFFFAOYSA-N	423.557	3.535	10	20	HHCD	
COc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cnc1Br	788451062	ORYJQAQQQORJHY-UHFFFAOYSA-N	424.258	3.815	10	20	HHCD	
CN(C)S(=O)(=O)c1cccc(NC(=S)NNc2cc(Cl)cc(Cl)c2)c1	790357171	STPZEGNTWCSAOX-UHFFFAOYSA-N	419.359	3.557	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(OC)cc1OC	790415258	CWFKSQHUXCWDSP-UHFFFAOYSA-N	416.293	3.535	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(C4CCC4)cc3)CC2)cc(OC)c1OC	790890276	XPWBIUQVSZKKIZ-UHFFFAOYSA-N	410.514	3.942	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCCN(c3cccc(Cl)c3C)CC2)c1O	793605367	GQYJMDVLJIVUDC-UHFFFAOYSA-N	405.882	3.983	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=S	799200860	NKNAXIYEWSHXNG-VKAVYKQESA-N	404.557	3.831	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccc(F)cc3)cc2Cl)C1	800571808	NMHAOPFXZLWOMG-HNNXBMFYSA-N	417.912	3.762	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3\SC(=S)N(CCc4cccnc4)C3=O)s2)cn1	800793492	RNNQPEOURCOWPH-MFOYZWKCSA-N	412.565	3.988	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(C)nc3Cl)n2)cc1	800925387	SDAXXWHDXIQPFR-UHFFFAOYSA-N	423.903	3.754	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)ccc21	802061882	WEMDURMLAJBKKB-HSZRJFAPSA-N	416.566	3.515	10	20	HHCD	
CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc(Cl)c1O	806159289	FSMODNFLDDRPQK-UXHICEINSA-N	402.922	3.556	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)c1ccc(F)cc1Cl	806263186	DBLVYQVYUNAFKY-UHFFFAOYSA-N	419.928	3.598	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1	806885190	BXDANVPXEVCWMK-SECBINFHSA-N	416.783	3.889	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1Cl	807058005	LGFRVLCPQIEFTM-UHFFFAOYSA-N	411.683	3.625	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21)c1ccc(N(C)C)cc1	807677707	RWNYREXWAHJDJL-SBUREZEXSA-N	405.542	3.998	10	20	HHCD	
CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807835819	KTRGLKIDSXTIAJ-UHFFFAOYSA-N	416.326	3.740	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	808095985	ZOCOGLBBEXIFOK-UHFFFAOYSA-N	403.456	3.660	10	20	HHCD	
COc1ccc([C@@H](O)C2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1	812903627	VPGQBQAXGDNMKB-GAJHUEQPSA-N	411.546	3.977	10	20	HHCD	
Cc1oc2c(CN3CCN(C(=O)C4CC4)CC3)c(O)ccc2c(=O)c1-c1ccccc1	813034095	AJKXMHDMFWOOEY-UHFFFAOYSA-N	418.493	3.528	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)sc2C)cc1	906465885	RNJQIJLINYAUOM-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
Oc1ccccc1CN(C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H]1CCCO1	916633081	GUGGSIURDQTMOV-SGIRGMQISA-N	411.542	3.828	10	20	HHCD	
O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)cc21	917872946	RZSVWYYQPVDKHB-UHFFFAOYSA-N	412.492	3.770	10	20	HHCD	
CSc1ncc(Cl)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	918140748	PLCMHCWIKBUAFL-TXEJJXNPSA-N	424.929	3.535	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1	918196997	GZAGXPZVZNLBLW-DEOSSOPVSA-N	424.589	3.714	10	20	HHCD	
COc1ccc(C)cc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	918211639	RBRGQDAHHSFVTC-IAGOWNOFSA-N	415.509	3.756	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1	918307286	RCBSFBNDZPZWSL-UHFFFAOYSA-N	423.435	3.681	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)CC2)cc1	1116269673	YTVDMLPODSBULN-UHFFFAOYSA-N	419.566	3.673	10	20	HHCD	
COc1ccc(CN(C)c2ccc(OCc3ccccc3)cc2)cc1OCC(N)=O	1116706975	PVRKCNLYGOZJAB-UHFFFAOYSA-N	406.482	3.775	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)c(C)n1-c1cccc(C(C)C)c1	1318561651	DCIIWAMYPQUNCL-HXUWFJFHSA-N	405.546	3.960	10	20	HHCD	
O=C(CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1817034128	HYCUAXGMHCAJCU-OAHLLOKOSA-N	418.881	3.580	10	20	HHCD	
Oc1ccccc1CN(C[C@H]1CCCO1)c1nc(-c2ccccn2)nc2c1CCC2	301848997	CVSOOHNJRKESEI-GOSISDBHSA-N	402.498	3.919	10	20	HHCD	
CCCCOC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	40884758	WDRZIYSQJXXJSK-LCYFTJDESA-N	414.346	3.994	10	20	HHCD	
C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc([S@@](C)=O)cc1	807024082	HNXWSOXNSZNVDS-UXMMLNGASA-N	401.315	3.997	10	20	HHCD	
Cc1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)c(OCC(=O)N(C)C)c1	471245056	HGMDBKSAGPULFR-UHFFFAOYSA-N	408.502	3.584	10	20	HHCD	
Cc1cccc(C)c1CCNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	806450624	YIALQNFCTMYITF-UHFFFAOYSA-N	407.558	3.611	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1	808421697	CMXGBLIDZLOXIA-UHFFFAOYSA-N	414.571	3.854	10	20	HHCD	
Cc1ccc(OCCCNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	803723431	CZVFWZROMPXMRD-UHFFFAOYSA-N	423.557	3.529	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C\c3cn(C)nc3C(F)F)SC2=S)c1	812219780	PDIQCLDOLKYZAJ-AWNIVKPZSA-N	411.455	3.781	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1OCCc2sccc21	815655454	SIAXJEIOMQYWFI-KSFYIVLOSA-N	414.571	3.523	10	20	HHCD	
CN1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)C1	815830914	RWIJPUWFYRCNRH-QHCPKHFHSA-N	405.502	3.985	10	20	HHCD	
Cc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(N2CCCC2)n1	812541996	MRRIUXYZQHLFOG-NRFANRHFSA-N	424.545	3.587	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2ccc(OC)c(Br)c2)c1	728977848	FLSLIVNFNKZIML-LBPRGKRZSA-N	408.292	3.982	10	20	HHCD	
CCCN(CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)Cc1ccccc1O	727830605	CYWRAZXCISHPMC-UHFFFAOYSA-N	420.557	3.782	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSC[C@H]2CCCCO2)cc1	727375169	JMBNHLLOZSDZGU-LEWJYISDSA-N	406.592	3.563	10	20	HHCD	
COc1ccc(N(Cc2ccccc2O)C(=S)NCC(C)(C)CN(C)C)cc1	727067032	CQYVHMBHBDQLML-UHFFFAOYSA-N	401.576	3.870	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1	728024204	RYIOXHPJNCSINY-UHFFFAOYSA-N	415.559	3.759	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-n2ccnc2)cc1	726567067	DKJQDYSWBYMGBG-UHFFFAOYSA-N	412.440	3.873	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2noc(-c3cccs3)n2)cc1F	731403483	LVAGQZUYOSIVAZ-UHFFFAOYSA-N	403.483	3.783	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3nc4cc(F)ccc4n3C)ccc21	732108985	KEOWSYOTCBMKJM-UHFFFAOYSA-N	408.477	3.860	10	20	HHCD	
C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)cc(Cl)c2O1	736325754	MMBSZAWWBZRBAY-CQSZACIVSA-N	406.935	3.742	10	20	HHCD	
C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)N(C)C)c1ccc(N2CCOCC2)cc1	732277514	NXSUFEKEVXIQAY-KKSFZXQISA-N	401.938	3.657	10	20	HHCD	
CCCCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731014646	DKYQIONGYYJEDB-HXUWFJFHSA-N	403.592	3.631	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1	734016414	PQXXRFOVMWQLLN-OAQYLSRUSA-N	404.466	3.578	10	20	HHCD	
Cc1cnc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c2)o1	731405010	CEKCVHJMLOCUPP-UHFFFAOYSA-N	404.470	3.505	10	20	HHCD	
COc1ccccc1[C@H](CO)NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	734943071	SZWUQCJAFCMPLT-QFIPXVFZSA-N	411.546	3.997	10	20	HHCD	
CSc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	740924144	SGKGJQRZYHHGRW-OAHLLOKOSA-N	418.534	3.592	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)c2C)c1	744069475	PDDXFMJRRCJWRH-QHCPKHFHSA-N	401.510	3.933	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CNC(=O)C2CC2)c(C)n1-c1cc(Cl)cc(Cl)c1	915012726	OVHYDVFQIPCFKV-UHFFFAOYSA-N	423.296	3.653	10	20	HHCD	
CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	917834866	SBFSXTJRRZVQCN-ICSRJNTNSA-N	423.557	3.597	10	20	HHCD	
COCCOCC(=O)OCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	919223303	MRUIPEQKBHJKPV-UHFFFAOYSA-N	414.285	3.790	10	20	HHCD	
COc1cccc(CNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1O	743333551	SNTFTVRTMPPOJS-BEFAXECRSA-N	414.502	3.919	10	20	HHCD	
CC(C)OCc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	920786480	MCYZQVFNRNWZLO-UHFFFAOYSA-N	409.530	3.807	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nc(Cc2ccccc2)no1	921125102	WPOSCFZROBIYEV-UHFFFAOYSA-N	419.529	3.992	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)c1O	750817037	HRBBZSZKEIMUMF-UHFFFAOYSA-N	406.457	3.845	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1c(-c2cnn(C)c2)nc2ccccn12	757252150	RVBRZDGAFFSZJR-UHFFFAOYSA-N	404.474	3.885	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1C[C@@H](O)c1ccco1	758697744	WMPYQCIHKYAUKZ-VQTJNVASSA-N	415.559	3.631	10	20	HHCD	
COC(=O)c1ccccc1CCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	759895149	DMHYVPDHBPVJOW-UHFFFAOYSA-N	400.438	3.754	10	20	HHCD	
CN(CCOCC1CC1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	755623844	PXUKYYMDVINPMG-VBKFSLOCSA-N	424.613	3.615	10	20	HHCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)CC[C@@H]1NC(=O)OC(C)(C)C	757647830	MWYOMFKVRHHXJI-XLIONFOSSA-N	418.582	3.896	10	20	HHCD	
COc1ccc(C(=O)N2CCC(N[C@H](C)c3cc(F)ccc3O)CC2)cc1OC	756734706	ZRIMZQSZXGMEGC-CQSZACIVSA-N	402.466	3.504	10	20	HHCD	
CC(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	767976347	ORYDGZWZKCTEGL-KRWDZBQOSA-N	402.878	3.825	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1	764612218	SSEULLKDPZEYIS-UHFFFAOYSA-N	413.477	4.000	10	20	HHCD	
C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCCO1	764681450	BMXPCSJAANMYCX-GOSISDBHSA-N	423.517	3.658	10	20	HHCD	
CC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	769485230	LZZPUVRQDINTOQ-FPOVZHCZSA-N	403.567	3.648	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CC2CCSCC2)NC(=O)OC(C)(C)C)cc1	762233589	TURSZGCNNNMFHK-IBGZPJMESA-N	421.607	3.968	10	20	HHCD	
CCOC(=O)Cc1cccc(NC(=O)NCc2cccc(Br)c2O)c1	765294924	QJUIAHYDISNYHP-UHFFFAOYSA-N	407.264	3.582	10	20	HHCD	
CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(Cl)c2ccccc2c1O	774546016	FORCYAKRWOVGHK-OAQYLSRUSA-N	409.873	3.536	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O	771815730	RVBFAPYANSBFCX-CKJXQJPGSA-N	410.514	3.578	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	777822646	JMGQBTWXZHWQDC-CRAIPNDOSA-N	420.431	3.893	10	20	HHCD	
COc1cc(F)cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	1116266470	UJAXCJWDWRQWHO-KBPBESRZSA-N	405.445	3.909	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccc(Br)o1	1116720500	UJLAUUCTYRAFDU-UHFFFAOYSA-N	410.337	3.595	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1	773745493	KREVOMTWFHUJJO-YPMHNXCESA-N	423.296	3.505	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(OC(C)C)c1	789803377	QRJPDVBKNLHGAP-UHFFFAOYSA-N	416.493	3.513	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Br)c(F)c3)c2)CC1	781048022	STFKIRCYGKXPCK-UHFFFAOYSA-N	420.282	3.509	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	780467580	DEJVGUATNBQVJH-GOSISDBHSA-N	404.555	3.650	10	20	HHCD	
CC(C)[C@@H](CC(F)(F)F)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	782651752	BGMAEBPYJOVXIS-QGZVFWFLSA-N	418.415	3.967	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1	792702997	MRWCIWJBAKHABD-UHFFFAOYSA-N	408.284	3.920	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCCOC3CCOCC3)cc2Cl)C1	799995615	QAPNMXVLLPGBAQ-KRWDZBQOSA-N	423.985	3.961	10	20	HHCD	
O=C(Cc1ccc(I)cc1)NCc1ccc(N2CCCC2)cc1	792590107	VCQPMQHZEYZROU-UHFFFAOYSA-N	420.294	3.750	10	20	HHCD	
NC(=O)C1CCN(CCc2ccc(NCc3ccc(N4CCCC4)cc3)cc2)CC1	1319287273	XULUGESCZGXSMQ-UHFFFAOYSA-N	406.574	3.639	10	20	HHCD	
CO[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)cc1	1319160132	NWDWZXHTOSUAGE-PZJWPPBQSA-N	402.466	3.610	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c(F)c3)sc2n1	14152226	MEHROPMLIOFJLW-SNVBAGLBSA-N	405.426	3.958	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C1CC1)C1CC1	51278806	DHQIMLCGUQZLIF-UHFFFAOYSA-N	411.468	3.872	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCNC(=O)c1ccc(F)cc1	55137436	UGCHLJLSAUONMG-UHFFFAOYSA-N	411.521	3.985	10	20	HHCD	
O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCc1ccc(N2CCCC2)cc1	106252713	AXTFPVBVVXCDNZ-UHFFFAOYSA-N	407.514	3.647	10	20	HHCD	
C[C@@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	10730962	GXPCGPJBQLEDSO-CYBMUJFWSA-N	417.392	3.785	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1	26061462	UKHGETNRLZMHRN-UHFFFAOYSA-N	409.511	3.787	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3c(F)cccc3Cl)cc2F)CC1	303250565	ASSAUZQXCSXXHP-UHFFFAOYSA-N	407.892	3.619	10	20	HHCD	
CCCCN1C(=O)C[C@H](C(=O)N(C)Cc2ccccc2O)[C@H]1c1ccc(OC)cc1	71963593	APFFFGVAPCLSQX-NZQKXSOJSA-N	410.514	3.749	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nc2c(s1)CCCCC2	195582337	MLESYCQCUXOHOX-UHFFFAOYSA-N	400.548	3.913	10	20	HHCD	
Cc1cc(Br)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	328346011	XDYOKOKTEGJVKL-UHFFFAOYSA-N	403.320	3.866	10	20	HHCD	
CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@H](C)C1	806100889	DODYNSMNPMRYGC-MRXNPFEDSA-N	415.519	3.990	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)cc2Cl)C1	800714729	UMWCZPYULJBZJP-RADWXHQJSA-N	421.969	3.714	10	20	HHCD	
CC[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)Oc1ccccc1Cl	807675209	VAXDKYJHNXLTJA-QAPCUYQASA-N	417.937	3.557	10	20	HHCD	
O=C(NCc1cccc(N2CCCC2=O)c1)NCc1cc(Cl)cc(Cl)c1O	804914213	SUKIYPLPGUENOF-UHFFFAOYSA-N	408.285	3.825	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)NC(C)C)c1	801549300	JLOCVZBXSXXQRH-UHFFFAOYSA-N	404.532	3.521	10	20	HHCD	
Cc1ccn(C)c(=O)c1NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800546939	NNDULBSPXZBBLP-CQSZACIVSA-N	402.926	3.905	10	20	HHCD	
CCc1oc(CNCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C(=O)OC	802643890	XCUUISGZDZXBHX-GASCZTMLSA-N	404.482	3.671	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(C)(C)c1ccccc1	804119584	JAFDLAAIYXRNTL-SFHVURJKSA-N	407.558	3.726	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)c1ccc(N(C)C)cc1	813722429	SHPIFVNNUFECGA-XIKOKIGWSA-N	424.314	3.748	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@@H]2CCCN(C(N)=O)C2)cc1	813650778	BKMHSKJWWWRSKX-INIZCTEOSA-N	408.506	3.689	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCCCC34CCCC4)cc2)C1	812930617	PYJCZPSDTFDOLK-CTNGQTDRSA-N	412.578	3.691	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(OCC(F)F)c1)c1ccc(N2CCOCC2)cc1	726615066	XFAALSUYMLQHLM-INIZCTEOSA-N	419.472	3.728	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3(NC(=O)OC(C)(C)C)CCCC3)CC2)cc1	727157862	VPFVEBJHPJJYKA-UHFFFAOYSA-N	417.550	3.618	10	20	HHCD	
COc1ccc(NC(=S)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1	726909485	VAMMFSMRJAWCBU-UHFFFAOYSA-N	408.474	3.647	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1csc(COc2ccc(Cl)cc2)n1	728697537	RIFAYQZZRQTYIU-LICLKQGHSA-N	411.870	3.837	10	20	HHCD	
CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)n1nnc(-c2ccc(Cl)cc2)n1	729536973	QBHFLHSEWZNJPU-SJCJKPOMSA-N	415.881	3.536	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C(C)(C)c1cccc(Cl)c1	736918218	ZTIGQPQISQCURH-UHFFFAOYSA-N	402.922	3.885	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3nc(-c4ccccc4)n[nH]3)cc2)CC1	731121293	PWEMFZGBMQNARI-UHFFFAOYSA-N	404.518	3.707	10	20	HHCD	
CCOc1nnc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)s1	731036387	JNXIHGCHMUNXPY-UHFFFAOYSA-N	404.536	3.914	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)c1O	737278806	QGHVDKGQSCTHOD-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
CCOC(=O)N[C@@H](CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1)CC(C)C	731049878	UEECFAMSUUISEF-HXUWFJFHSA-N	418.582	3.883	10	20	HHCD	
CCOc1cc(C(=O)NCc2cc(OC)ccc2O)ccc1OCc1cccnc1	734016044	HLAMSQZZSPPWOR-UHFFFAOYSA-N	408.454	3.704	10	20	HHCD	
C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccncc1	735962696	PMYKPIZPWZMWEE-LBPRGKRZSA-N	402.362	3.683	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)c2C)c1	732563822	OFROWVCWGZPTQA-LJQANCHMSA-N	416.525	3.510	10	20	HHCD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCCCSc2nccs2)cc1	733972723	UVUWCQDTDUAGHI-AWEZNQCLSA-N	409.602	3.810	10	20	HHCD	
O=C(Nc1cc(Cl)ccc1Cl)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918294343	FWYLEQFPPRAPDQ-HNNXBMFYSA-N	423.296	3.845	10	20	HHCD	
Cc1cc(CC(=O)OCC(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1	749985652	OAEWXAZGQZMZIF-UHFFFAOYSA-N	400.862	3.743	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(OC2CCCCC2)CC1	747857862	YNKHZESAKMDSRH-UHFFFAOYSA-N	419.541	3.686	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@H](O)CNCCc2cc(C)n(-c3ccccc3)c2C)cc1	915223577	QIOUJEQTDMFHKH-XMMPIXPASA-N	421.541	3.625	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cnccc2N2CCN(C)CC2)c1C	919860604	DWRKRPNFMQGGTC-UHFFFAOYSA-N	403.530	3.802	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)cc1	917055376	GMGSTRWIPSBKJH-UHFFFAOYSA-N	422.553	3.967	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1)C1CCCCC1	740909972	MTWADYDLFBLQSV-GHTZIAJQSA-N	421.607	3.611	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@@H](O)COCc1ccccc1Cl	916632906	CBUFERMCFAAHCP-UXHICEINSA-N	405.922	3.604	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	741676663	NKOSXTQGEKRZDO-UHFFFAOYSA-N	400.479	3.520	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc3c(cc2Cl)OCO3)cc1	918311917	WNFHZLJCVRNRTR-UHFFFAOYSA-N	417.893	3.512	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1	918429742	NOUCTTOKIIENEC-UHFFFAOYSA-N	404.308	3.550	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(Br)c(F)c1	743046529	WGUAGWAAQDSFEZ-UHFFFAOYSA-N	414.281	3.908	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C	921128464	PDAYFWAGBBFJIC-LJQANCHMSA-N	404.555	3.684	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C)c(Br)s2)c1	751319125	SXAHHFNXRMPDMV-VIFPVBQESA-N	406.323	3.573	10	20	HHCD	
COc1ccc(-n2c(C)cc(CN(C)C(=S)NC[C@H]3CCCCO3)c2C)cc1	758242883	ZEKBJOGWVCEFJT-OAQYLSRUSA-N	401.576	3.978	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)CC2)cc1F	753737898	GTPJCINBQBYCTE-UHFFFAOYSA-N	422.504	3.528	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1F	754451605	AKPSPDXRHIQODL-UHFFFAOYSA-N	402.426	3.713	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1	751356863	XYXGGYMBEVORMG-UHFFFAOYSA-N	402.516	3.508	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)ccc21	857442769	SVUJLGDXUVCXLT-OAQYLSRUSA-N	413.512	3.843	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(-c4ncco4)c3)cc2)CC1	754491378	XIOZQTPYBASNID-UHFFFAOYSA-N	418.497	3.833	10	20	HHCD	
COc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1[N+](=O)[O-]	754540239	JKHFCPLQNDEWNK-UHFFFAOYSA-N	402.362	3.631	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCC[C@@H](Cn2ccnn2)C1	752798815	IPLVAFZGVSMCNA-CQSZACIVSA-N	401.308	3.812	10	20	HHCD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N(CC)CC)c(F)c1	759042938	DFQQOADUUWTDHH-UHFFFAOYSA-N	406.523	3.568	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Br)o1	768915875	NUSXJAQWIMCETK-ZDUSSCGKSA-N	413.699	3.796	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n1	768847923	GRXZPSBGTSJJQQ-UHFFFAOYSA-N	415.449	3.728	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)c1	761980988	DUXJLEROFDKXDV-HNNXBMFYSA-N	412.515	3.568	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(S(=O)(=O)N2CCCC2)cc1	1116565162	JRAXWWRYUUVLNH-APWZRJJASA-N	400.544	3.823	10	20	HHCD	
COc1cccc(O)c1CN(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1	769238655	FNOKSULANLTLOT-UHFFFAOYSA-N	412.511	3.834	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	775834787	CYMPEACUOUBEQJ-QGZVFWFLSA-N	408.546	3.714	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C)c1ccc(N(C)C)cc1	773630490	UIQITQXQUAIHLX-RYRKJORJSA-N	404.555	3.901	10	20	HHCD	
COc1cc(-c2nnc(COc3ccc(N4CCCC4)cc3)o2)cc(OC)c1OC	772899193	UAUWVOMSUNJNAI-UHFFFAOYSA-N	411.458	3.942	10	20	HHCD	
C[C@@H]1CN(C(=O)COC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C[C@@H](C)O1	775234791	LQDQVHBNGHLYLJ-IAGOWNOFSA-N	424.501	3.961	10	20	HHCD	
Cc1noc(C(F)(F)F)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771059407	QSBIZSAPZPXGBU-CYBMUJFWSA-N	417.815	3.755	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cccc(Cl)c2O)C(C)C)cc1	775680705	JTNWAWFEOKUBGS-SFHVURJKSA-N	406.910	3.654	10	20	HHCD	
CCN(C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(F)cc1	775259662	KDLSMIQLIFYHMI-OALUTQOASA-N	413.537	3.923	10	20	HHCD	
O=[N+]([O-])c1cc(CNCC2CCN(c3ccncc3)CC2)ccc1N1CCCCC1	771896853	RQXFYDAFBHTJSY-UHFFFAOYSA-N	409.534	3.986	10	20	HHCD	
COc1ccc(N2CCN(Cc3nc4ccc(Br)cc4n3C)CC2)cc1	776785796	PPBONMIXFZADJF-UHFFFAOYSA-N	415.335	3.667	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)cc2)CC1	786657165	UHXRAKSTWGDRNM-MVJOHORYSA-N	423.601	3.968	10	20	HHCD	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)o1	788933725	XDHCVGZSNWDUMT-VGOFRKELSA-N	421.541	3.811	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1C(F)(F)F	788591841	VYQHSVBTZXWFJU-CQSZACIVSA-N	413.827	3.854	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC)c1ccccc1OC(F)F	787870140	NQIMCTVJUXORAY-KRWDZBQOSA-N	420.456	4.000	10	20	HHCD	
COc1nc(Br)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	789414048	IJNFHIZQLRELES-UHFFFAOYSA-N	401.264	3.908	10	20	HHCD	
CCOC(=O)[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@H]1CCCOC1	781377596	JLXZVMGEFDARNH-OXJNMPFZSA-N	418.921	3.836	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(O)c1	794369994	KYPICVNMBACRKN-UHFFFAOYSA-N	407.426	3.851	10	20	HHCD	
CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	799994133	KNAFFSNFYGSTFF-LPHOPBHVSA-N	420.985	3.586	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C(C)C)nn1C	791249453	GZRLSBDRCQVMFJ-UHFFFAOYSA-N	400.523	3.546	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(F)cc3Br)CC2)cc1	1324300614	YVSSSPBUEOMYRJ-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1ccsc1	1787284518	ZJPKHYJZGFWCJU-UHFFFAOYSA-N	409.467	3.616	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(F)cc1	1415890	ONKYOPVIWBGXNU-YBEGLDIGSA-N	403.456	3.885	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2ccc(F)cc2)oc1=S	7317497	JFYXNJVWHBBANI-UHFFFAOYSA-N	414.506	3.938	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCNC(=O)c2ccco2)cc1	98071248	LEENJUPQPUGLBR-UHFFFAOYSA-N	421.497	3.708	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc(SC)c(OC)c3)CC2)cc1	237272431	LJEWQUJCMGVNAI-UHFFFAOYSA-N	415.603	3.728	10	20	HHCD	
O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(N=Nc2ccccc2)cc1	255373505	HFUVHKIDLKVUGN-PBFVBANWSA-N	400.438	3.848	10	20	HHCD	
Cc1nccc(-c2cccc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)c2)n1	472810384	WKOPPUHUSJBXPM-UHFFFAOYSA-N	413.481	3.507	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCOC[C@H]3CC(=O)c3ccco3)ccc21	476787699	QEWQGZQXNBKLHA-LJQANCHMSA-N	424.497	3.612	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)N(C)C(C)C)CC3)ccc21	484638653	MTTYQKYBNFVPPS-UHFFFAOYSA-N	413.562	3.624	10	20	HHCD	
COC(=O)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	726564719	RGUXLNMEIRFOES-UHFFFAOYSA-N	410.442	3.535	10	20	HHCD	
CCc1cccc(CC)c1NC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	726725764	GQOPKUGMVNKCBD-UHFFFAOYSA-N	409.530	3.544	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c1O	727762509	NLBUISHCBCEPGN-UHFFFAOYSA-N	402.454	3.588	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1	728953277	WQHRSYKGSPAGQM-JKSUJKDBSA-N	403.548	3.735	10	20	HHCD	
COc1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1[N+](=O)[O-]	730106938	QFFMMKNXDVUGPC-UHFFFAOYSA-N	407.417	3.963	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)c1ccccc1OCC(=O)NC	731282159	IXNVBSLSZJAAGU-IBGZPJMESA-N	413.518	3.590	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)cc1F	731323202	AGELABBTPVGUDV-UHFFFAOYSA-N	413.474	3.716	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(c2nnc(S)n2C)CC1	731633972	AWYHBOPUHHVPQC-UHFFFAOYSA-N	401.561	3.593	10	20	HHCD	
COC(=O)CN(CC(=O)Nc1cccc(Cl)c1C)Cc1cc(Cl)ccc1O	731844551	FZOARZVLDQCLLQ-UHFFFAOYSA-N	411.285	3.621	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCCn2ccccc2=O)c(C)n1-c1cccc(F)c1	735146640	BFVYPDSGHPCLFD-UHFFFAOYSA-N	410.445	3.601	10	20	HHCD	
CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCC(C)CC2)c1	739754393	KDWHKQWSNZQAHD-UHFFFAOYSA-N	401.532	3.937	10	20	HHCD	
Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1C(=O)N(C)C	741075198	SQYZSJFJSFRCJT-IBGZPJMESA-N	411.502	3.616	10	20	HHCD	
Cc1cc(O)c(CNCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1C	742367373	QKDVJVNEDIBMJA-MRXNPFEDSA-N	402.560	3.719	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(C)n1C	742749173	DCJSJWGWXIDRSZ-HXUWFJFHSA-N	414.550	3.704	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC[C@@H](C)Cc3cccs3)cc2F)CC1	743648386	ZURUUAWVYNDQIT-KRWDZBQOSA-N	418.582	3.707	10	20	HHCD	
COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	743979351	DQYOMOVWLGQOHH-QGZVFWFLSA-N	410.474	3.552	10	20	HHCD	
C[C@H](O)c1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	745789972	DZDUUXKAIFTANA-MAUKXSAKSA-N	419.472	3.810	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)c3cccc(-n4cccn4)c3)CC2)cc1	745797143	ZZRGGHGENDJGFB-GOSISDBHSA-N	419.529	3.910	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2	745798750	ASFOFIKSRHRJKN-RBUKOAKNSA-N	423.504	3.904	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C(=O)N1c1ccccc1	745883029	RHMGRLZJILHWSV-VGOFRKELSA-N	406.530	3.621	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(-c2ccccn2)no1	746200045	ACVBOQMYBVMYPX-UHFFFAOYSA-N	414.412	3.737	10	20	HHCD	
COCCN(CCc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1	746946263	MUFDOMGTNWMXLD-UHFFFAOYSA-N	413.587	3.641	10	20	HHCD	
CN(C(=O)/C=C\c1cccnc1)c1ccc(NC(=O)/C=C/c2cccnc2)cc1F	747877739	WCDZRHPBNOTJBX-QZTBCQRESA-N	402.429	3.944	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1	748963033	YFOCCTVFNLFOTI-OAQYLSRUSA-N	422.573	3.884	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C	749557164	DUARZXOQHJQIRV-CVDCTZTESA-N	406.574	3.779	10	20	HHCD	
COc1cc(Br)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1Cl	751203638	UOMYXOPWABXOQK-UHFFFAOYSA-N	420.668	3.641	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@H](C)c3cccc(OC)c3)cc2F)CC1	753219764	FOISMUWOOTXRLL-SFHVURJKSA-N	413.537	3.786	10	20	HHCD	
CCCCN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCS(=O)(=O)C1	753538366	OYEQOUSWEZHKJF-FQEVSTJZSA-N	403.544	3.760	10	20	HHCD	
C[C@H](Sc1ccccn1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754236941	AKBILIAMCORADS-GJZGRUSLSA-N	407.486	3.949	10	20	HHCD	
CC[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1	754492342	RLAQFROYABYZNX-OAHLLOKOSA-N	414.497	3.927	10	20	HHCD	
COc1cc(C)cc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1O	754727246	URIXFFUEVGGQQM-UHFFFAOYSA-N	409.313	3.974	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1	755020916	KIRVVXHYSUZHFZ-SSEXGKCCSA-N	424.522	3.911	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1cc(Br)cc(F)c1O	756454866	PAFCCMXPDHEQJN-MFKMUULPSA-N	402.235	3.523	10	20	HHCD	
C[C@@H](N[C@@H](CO)CC(F)(F)F)c1cc(Br)cc(Br)c1O	756775651	KHWWIYVJPVGTKA-HTRCEHHLSA-N	421.051	3.881	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1	759567849	BLYJWJOEYDGLNW-CYBMUJFWSA-N	412.531	3.729	10	20	HHCD	
COc1ccc(CN(C)C(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1F	759688399	GLQAROVIPMHBIT-UHFFFAOYSA-N	413.537	3.915	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OC[C@H]1CCCOC1	760743807	KXJUDBUYCKDZMT-OJNRTJSBSA-N	411.570	3.699	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)c2C)cc1	761269685	DOHQJJLOYPUNQI-UHFFFAOYSA-N	403.482	3.983	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1ccc(F)cn1	764098227	MPOYIMIPVGZXQR-DHDCSXOGSA-N	421.544	3.580	10	20	HHCD	
CCN(CC)C(=O)c1ccccc1NC(=O)NCc1cccc(Br)c1O	765260865	XBIKHRCCBYKHFF-UHFFFAOYSA-N	420.307	3.958	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC(O)(c4ccccc4Cl)CC3)ccc21	765480198	ORFXKKJADBQXKP-UHFFFAOYSA-N	413.949	3.916	10	20	HHCD	
C[C@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccc(N2CCOCC2)c(F)c1	766004584	FQAHIPLDPXUJKL-YCRPNKLZSA-N	407.480	3.894	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cnc(Cl)c4ccccc34)cc2)C1	766434781	YDZNAVKFOKBLSJ-MRXNPFEDSA-N	422.916	3.520	10	20	HHCD	
Fc1cc(CNC[C@@H]2C[C@H]2c2ccccc2)ccc1N1CCN(c2ncccn2)CC1	767351101	VJHNDCZEKIHOQS-VXKWHMMOSA-N	417.532	3.836	10	20	HHCD	
Fc1cc(CNC[C@H]2C[C@H]2c2ccccc2)ccc1N1CCN(c2ncccn2)CC1	767351102	VJHNDCZEKIHOQS-YADHBBJMSA-N	417.532	3.836	10	20	HHCD	
COc1cccc(CNC(=O)CCOc2ccc(Cl)cc2Br)c1O	769497980	GXTCWMDOPDHNFG-UHFFFAOYSA-N	414.683	3.902	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(OC(F)F)c(OC)c3)c2)CC1	770149013	VAXIMEBGCZGLKQ-UHFFFAOYSA-N	405.445	3.691	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	770761392	LSWAUYIEDJSDAL-JKSBSHDWSA-N	415.509	3.799	10	20	HHCD	
COc1ccc(C2(CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CCOCC2)cc1	773246974	QEROWQKDLKOZBU-SFHVURJKSA-N	411.546	3.870	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)C2CCCCC2)cc1	773659886	NEPRBOFMXXJJKX-UHFFFAOYSA-N	406.408	3.987	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O	773741921	ZQGYQPPUUVXPTB-SMDDNHRTSA-N	423.296	3.505	10	20	HHCD	
O=C(NCc1nc2ccccc2s1)C(=O)N(Cc1ccccc1O)C1CCCCC1	774982517	RUQGIMVXNKTUSM-UHFFFAOYSA-N	423.538	3.980	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1	775207140	HHCSIVRNKKSFFW-UHFFFAOYSA-N	403.485	3.578	10	20	HHCD	
COc1cc(O)c(CN[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1OC	776252745	XDVFCGOLXSFBKR-MWTRTKDXSA-N	401.503	3.824	10	20	HHCD	
O=C1N[C@H](C2CCCCC2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	777667014	MNMVYZJMZHYOPK-SJLPKXTDSA-N	407.461	3.758	10	20	HHCD	
CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	778244560	LRCIOTAAWKDAKE-OPAMFIHVSA-N	403.954	3.730	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)/C=C/C(=O)Nc3ccc4n[nH]cc4c3)cc2)CC1	778720398	VKQLWMPWXDXMET-CMDGGOBGSA-N	417.513	3.610	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F	779496480	AKSKNYZNETZARI-QHHAFSJGSA-N	408.376	3.605	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)c(I)c(F)c1	779510706	PMDMGQIXQIAIJA-RQOWECAXSA-N	417.149	3.633	10	20	HHCD	
CC(C)(C)OC(=O)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc2C1	779513850	LRUAORFNDHSATE-LUAWRHEFSA-N	410.470	3.895	10	20	HHCD	
C[C@@H](CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nccs1	784586728	YLCURUQVIVSYPJ-AWEZNQCLSA-N	419.506	3.593	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC=C(c2cccc(Cl)c2)CC1	788932856	PWKBAGSBBCUSIS-UHFFFAOYSA-N	423.944	3.872	10	20	HHCD	
C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788937890	NYCPSRGRJSZKTH-WZONZLPQSA-N	405.542	3.733	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(-c2ccco2)nn1C(C)C	789371425	ZFUGWPXSTZVWIN-UHFFFAOYSA-N	423.517	3.777	10	20	HHCD	
CCc1c(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cnn1C1CCCC1	789805737	ISGHSVMNNRFZSY-UHFFFAOYSA-N	400.498	3.671	10	20	HHCD	
CCN(C)c1ccc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)cn1	790108168	NJMHJGFDPZTYKC-YVLHZVERSA-N	415.540	3.961	10	20	HHCD	
C[C@H](SCC(=O)c1ccc(O)c(O)c1)[C@@H](C)SCC(=O)c1ccc(O)c(O)c1	790282361	KNPJPUZXNVSIHA-TXEJJXNPSA-N	422.524	3.818	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c(C)c1O	790400591	YKTZDPOSQKNPTO-UHFFFAOYSA-N	409.420	3.552	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cn(C(C)(C)C)nn2)cc1	790621456	PYVWKOUWTSCKSM-UHFFFAOYSA-N	407.518	3.955	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(Cc4nnc5n4CCC5)cc3)CC2)cc1	790698224	UWXHZGYEIDRSBO-UHFFFAOYSA-N	403.530	3.905	10	20	HHCD	
CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1c(O)ccc(Cl)c1F	790958260	MOJRJWFDPWBHDR-UHFFFAOYSA-N	400.903	3.551	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnn1-c1ccccc1	792237430	DJNPAYILAAYKER-GOSISDBHSA-N	410.905	3.626	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1	798056980	GWJLOYUKADMGRJ-HNAYVOBHSA-N	421.875	3.810	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2nnc(C(C)(C)C)s2)cc1	798284979	QMTHNIICMSWNET-KRWDZBQOSA-N	402.564	3.723	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCc4c[nH]nc4C3)cc2Cl)C1	799949484	PZUHJNXMZPADOQ-WMLDXEAASA-N	401.942	3.656	10	20	HHCD	
C[C@@H](NCCCNC(=O)/C=C\c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	800507189	VBMNAANJEACEFX-SCEWNMGZSA-N	411.521	3.533	10	20	HHCD	
O=C1CCc2cc(Cl)c(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)cc21	800898906	CEJUGGTWLPSQFF-UHFFFAOYSA-N	404.919	3.548	10	20	HHCD	
CN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CCC(F)(F)CC1	805839050	CAJWWAZXSMVIKE-UHFFFAOYSA-N	412.436	3.910	10	20	HHCD	
CC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1Br	808115363	ZITGOUNFRKHPOH-UHFFFAOYSA-N	422.659	3.951	10	20	HHCD	
C[C@@H]1CCCN(c2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccn2)C1	812504329	SWATXLRFHAWPPB-NQIIRXRSSA-N	409.530	3.845	10	20	HHCD	
CN(CCOc1cccc(CNCc2cc(Cl)c(F)cc2O)c1)C1CCOCC1	816546561	NZIWIHXLVAQYOT-UHFFFAOYSA-N	422.928	3.964	10	20	HHCD	
O=C([C@H]1CCCN(CCc2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	816921779	GTXZFJGYFQTXDX-ZEQRLZLVSA-N	422.569	3.855	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(CS(C)(=O)=O)CC3)c2C)c1	817040718	SCICLVWFONNJGG-UHFFFAOYSA-N	402.560	3.608	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1	918310663	RSEUYOHYMDDTKF-UHFFFAOYSA-N	403.910	3.792	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1OCCC	918444285	PYHVOYJYZWBUJO-UHFFFAOYSA-N	400.475	3.567	10	20	HHCD	
CCOc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	920342956	LALTYZQBKMCRAD-IAGOWNOFSA-N	415.509	3.837	10	20	HHCD	
CCc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1Cc1ccccc1	920882110	OLAXJBLJJYJBLU-IBGZPJMESA-N	418.541	3.821	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(CC(C)C)c3C(F)F)CC2)cc1	1116419929	VYJJYNMOSNODSN-UHFFFAOYSA-N	406.477	3.838	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)Cc1cccc(Cl)c1	1325382209	ILIXDIZFOKDINV-KRWDZBQOSA-N	419.905	3.611	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C(=O)NC3CC3)c3ccc(F)cc3)sc2n1	14152411	DIILEVNYQFYUCW-KRWDZBQOSA-N	413.474	3.811	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1	15134730	IIKKZDMLAMAZDL-UHFFFAOYSA-N	421.472	3.839	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H](c3ccccc3)N3CCCC3)CC2)cc1	110425080	FWBXTHSKAYLHHL-XMMPIXPASA-N	422.573	3.800	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C(C)C)cc1F	116605318	LJGYRWLZTIDJOP-UHFFFAOYSA-N	401.482	3.524	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc(C)c1OC(F)F	211652821	USTGSKRFCHGUIQ-XYOKQWHBSA-N	401.456	3.971	10	20	HHCD	
CC(C)n1ncc2c(C(=O)N3CCOc4cc(N(C)C)ccc43)cc(C3CC3)nc21	437013063	OUIYLSACNZDKEZ-UHFFFAOYSA-N	405.502	3.995	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)n(C)c2ccccc12	472049200	PVYTXJSRKJKIBO-HXUWFJFHSA-N	418.541	3.520	10	20	HHCD	
Cc1c(Cl)cc(F)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1F	472807600	LLEHAJKQLNMALE-UHFFFAOYSA-N	405.832	3.982	10	20	HHCD	
COc1ccc(CC[C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	726245625	LFLVGGBJTUZERP-RBUKOAKNSA-N	411.546	3.913	10	20	HHCD	
COc1ccc(OC)c(NC(=S)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	726444848	QGHINPHWTIBNKJ-KRWDZBQOSA-N	402.516	3.787	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(C4CC4)nc4onc(C)c34)CC2)cc1	726561261	IVQKVGMRQCLUOP-UHFFFAOYSA-N	406.486	3.816	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3(c4cccc(F)c4)CCOCC3)CC2)cc1	726562975	SRSHMAIIATWNHS-UHFFFAOYSA-N	412.505	3.668	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)OC)cs3)n2)cc1	727249023	OWXGGAMLLOULBG-UHFFFAOYSA-N	424.525	3.858	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c1	729037735	OMZCGXRBIVEKGJ-LLVKDONJSA-N	411.380	3.576	10	20	HHCD	
COc1cccc(CNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1O	729861437	NDGYIIIZJSZLAR-KRWDZBQOSA-N	404.894	3.515	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)c(F)cc3F)cc2)CC1	731131820	RPJKETNTKFQGQK-UHFFFAOYSA-N	405.420	3.595	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1	734646889	SZSVXNGWJVXCFM-RTBURBONSA-N	410.562	3.992	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](CCN(C)C)C(C)(C)C)cc2F)C[C@@H](C)O1	734859089	VCDVEOHIUSILDZ-LZJOCLMNSA-N	422.589	3.605	10	20	HHCD	
Cc1cc2c(cc1C)O[C@@H](C(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)C2	742619409	SOLWURZDIKFKMW-OAQYLSRUSA-N	416.468	3.994	10	20	HHCD	
CCSCC[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	744379892	DHPVDPORIPHJSW-GFCCVEGCSA-N	412.467	3.632	10	20	HHCD	
Cc1ccc(N2CCC[C@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2=O)cc1	745879473	SISYSVNEFLRAJW-QHCPKHFHSA-N	420.557	3.931	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1	746036323	SAXBMDVXGNDYCL-UHFFFAOYSA-N	411.897	3.581	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1	748099609	YZEWYCBNTOYIEJ-PXDATVDWSA-N	420.557	3.523	10	20	HHCD	
O=C(CCc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)c(F)c1	748697630	CLLFPLVYEKOKEA-UHFFFAOYSA-N	421.310	3.674	10	20	HHCD	
COc1ccc([C@@H]2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1	749933210	NBVZRWGDUUAPAI-GHTZIAJQSA-N	409.530	3.792	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN(C)c2ccc(C(=O)N3CCOCC3)cc2C)c1O	750056876	LBZLFSJUJDJOBD-UHFFFAOYSA-N	416.905	3.665	10	20	HHCD	
CC(C)(C)Oc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	751028494	GRCLYGCJCQGNDN-UHFFFAOYSA-N	400.494	3.894	10	20	HHCD	
CC(C)(C)SCCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751060207	GUEUTAFUPLJVKX-UHFFFAOYSA-N	414.574	3.516	10	20	HHCD	
O=S(=O)(c1ccc2c(c1)OCCCO2)N(Cc1ccccc1O)C1CCCC1	751356557	SAODVXOLHNQOGK-UHFFFAOYSA-N	403.500	3.687	10	20	HHCD	
CSc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nc1	752822421	LZJZHTGTAZFKLG-ZIAGYGMSSA-N	404.511	3.878	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(N[C@@H](C)c2cc(Cl)ccc2O)CC1	756511588	PQWQMTNLQIZVGM-HNNXBMFYSA-N	402.922	3.939	10	20	HHCD	
Cc1ccc(-c2nc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cs2)n1C	758158588	KBLWQFNXSMZJJJ-UHFFFAOYSA-N	410.543	3.566	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(C(F)(F)F)c1	759083634	JWHMNIAARPIFTJ-RIYZIHGNSA-N	411.177	3.929	10	20	HHCD	
CCOc1ccc(CN2CCN(C(=O)NCCCSc3nccs3)CC2)cc1	759592280	YWPIRXIBJVLQLZ-UHFFFAOYSA-N	420.604	3.551	10	20	HHCD	
COc1ccc(OC)c(CN(CCO)C(=O)c2sccc2-n2c(C)ccc2C)c1	759719741	QAQRZRSDIDRJCT-UHFFFAOYSA-N	414.527	3.808	10	20	HHCD	
CCC[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1	760099686	ICBFTVDPLGLDSI-RGHBXIHOSA-N	424.613	3.757	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1F	763567417	YDLYUGDGAHTQMU-MRXNPFEDSA-N	405.514	3.545	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCCN(c2ccccc2F)C1	765536842	UCUFZAXUVDMLOJ-CQSZACIVSA-N	422.298	3.762	10	20	HHCD	
CNc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cccc1[N+](=O)[O-]	765549967	AIWXBBNIONLUHB-CYBMUJFWSA-N	420.416	3.637	10	20	HHCD	
O=C1CCSc2ccc(C(=O)NCc3cccc(Br)c3O)cc2N1	765731701	KKNCVUYYDXKRJR-UHFFFAOYSA-N	407.289	3.519	10	20	HHCD	
OC[C@@H](NCc1cccc(Br)c1O)c1ccc(Br)cc1	767424584	HKPUGWXJPJEEGE-CQSZACIVSA-N	401.098	3.740	10	20	HHCD	
Cc1nc(N2CCOCC2)ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O	770260413	MASKTUBAMZBSAQ-UHFFFAOYSA-N	422.485	3.760	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)c(F)c1	772979965	JJENSTPJBOQNHA-KXBFYZLASA-N	417.912	3.772	10	20	HHCD	
COc1ccc(F)cc1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	773019943	IQRMBPJEXKBKQH-INIZCTEOSA-N	408.420	3.763	10	20	HHCD	
C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccc(N(C)C)cc1	773986973	HJMDWUURTCGUAA-OAHLLOKOSA-N	408.527	3.881	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)c1	775373048	LLASOEXMCLMUOH-LSDHHAIUSA-N	406.910	3.631	10	20	HHCD	
Cc1noc(-c2ccccc2)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	775759346	AWYDOZUPJYOPNZ-UHFFFAOYSA-N	410.449	3.947	10	20	HHCD	
C[C@H](NC(=O)Cc1ccc(F)cc1Br)c1ccc(N2CCOCC2)cc1	776797446	FWRKTPARIZDLAI-AWEZNQCLSA-N	421.310	3.845	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2cc(Br)cc(OC)c2O)C1	776810172	XGHIAACVTPLSBA-OLZOCXBDSA-N	415.328	3.510	10	20	HHCD	
COC(=O)C[C@](C)(NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccncc1	777357427	XMGUTLZYRWHHSG-QHCPKHFHSA-N	409.461	3.837	10	20	HHCD	
Cc1cc(C(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)c(C)n1-c1cccc(C(C)C)c1	779568446	XRUZTRNADKHTBS-QGZVFWFLSA-N	407.518	3.559	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)c1C	780541796	IEEMRTPJKBVPMU-UHFFFAOYSA-N	418.453	3.780	10	20	HHCD	
O=C(CN(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2)NCC(F)(F)F	780888974	ZQQDEQWLTRJSDB-DAXSKMNVSA-N	406.404	3.656	10	20	HHCD	
COc1cc(Br)cc(CNc2cc(Cl)cc(C(N)=O)c2OC)c1O	790653404	SRYICENIKIFUTD-UHFFFAOYSA-N	415.671	3.536	10	20	HHCD	
CCOC(=O)c1ccccc1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	799770172	PKGPUEZICKJIGQ-UHFFFAOYSA-N	416.543	3.578	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@H](C)C2CCN(S(=O)(=O)CC)CC2)cc1F	809786340	YMYBDVHYNSRHEJ-QGZVFWFLSA-N	413.603	3.554	10	20	HHCD	
O=C1/C(=C\c2cccc(NC(=O)C(F)(F)F)c2)SC(=S)N1c1cccnc1	810205545	RZCNVSCSAAPHPS-MDWZMJQESA-N	409.414	3.988	10	20	HHCD	
CN(C)CCOc1ccc(/C=C\C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	813684385	PNJKOJVSYFXDEU-YVMONPNESA-N	409.313	3.969	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1cc(Cl)c2c(c1)OCCO2	915757177	TWFPFPXVGKXZKK-UHFFFAOYSA-N	401.894	3.711	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3ccc(Cl)cn3)cc2F)C[C@@H](C)O1	917215248	KUDNBRPVBZLISQ-OKILXGFUSA-N	423.941	3.896	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2	917850113	PYGHFPRBXKJFEH-UHFFFAOYSA-N	403.441	3.720	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1ccc(-c2ccccc2)o1	918094831	MALPHRGFZUZYCH-UHFFFAOYSA-N	409.461	3.922	10	20	HHCD	
Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C	920870252	OHYRZIYWLIZEIA-IBGZPJMESA-N	402.560	3.796	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	1319762044	FPAJHALQCULNPG-OAQYLSRUSA-N	422.573	3.507	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cc(=O)n(C)c3ccccc23)c(C)n1-c1ccccc1	1321917558	PKMYVXFBHYXSHI-UHFFFAOYSA-N	414.461	3.986	10	20	HHCD	
O=C(CCc1nnc(-c2ccccc2)o1)NCc1ccc(N2CCSCC2)cc1	54035114	QKTQDBZORUFTPO-UHFFFAOYSA-N	408.527	3.539	10	20	HHCD	
COc1ccc(-c2nc(CNC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)n[nH]2)cc1	110980739	FBAYXZBWRFELSP-UHFFFAOYSA-N	419.460	3.957	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3Br)CC2)cc1	303495633	XDYQMGHEVYGZEI-OAHLLOKOSA-N	419.319	3.574	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(Oc2ccccc2)nc1	726237180	WBPXYZIRBCSHEG-UHFFFAOYSA-N	418.497	3.710	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc(Cl)cc2F)cc1	727359441	RXQQAJLUYMKSCX-UHFFFAOYSA-N	408.886	3.591	10	20	HHCD	
Cc1ccsc1-c1nnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1	730150090	HFDLRODEFYJIQG-UHFFFAOYSA-N	402.545	3.923	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H](c3ccccc3)N3CCN(C)CC3)cc2)CC1	731053481	RQUCBUUXHQZQMF-VWLOTQADSA-N	420.601	3.528	10	20	HHCD	
C[C@H](NC(=O)c1cc(Cl)nc(N2CCCC2)c1)c1ccc(N2CCOCC2)cc1	732936832	KYMYUIMHKXJVIA-INIZCTEOSA-N	414.937	3.663	10	20	HHCD	
CCN(c1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1)C(C)C	739768390	RQRORAATEXRDOZ-UHFFFAOYSA-N	408.546	3.875	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	740906396	DOMYDPMAPPYGIB-PXNSSMCTSA-N	416.566	3.732	10	20	HHCD	
O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799036	SOBDBXMUUQHBQM-HNNXBMFYSA-N	405.401	3.524	10	20	HHCD	
C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)Cc1ccsc1	743273993	PYCNUVILQRMDBP-CQSZACIVSA-N	404.491	3.983	10	20	HHCD	
COC(=O)CN(Cc1csc(-c2ccccn2)n1)Cc1cc(Cl)ccc1O	744401287	CUBQVBJPMDRCKM-UHFFFAOYSA-N	403.891	3.739	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cc(F)ccc3SC)CC2)cc1	745928383	IVSPABAWUGATGH-UHFFFAOYSA-N	403.523	3.978	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1	746978464	RUZATIXADUZHMY-AWEZNQCLSA-N	413.497	3.736	10	20	HHCD	
Cc1ncc(/C=C\C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)s1	747442541	VQANBDRSKNMMLV-VURMDHGXSA-N	402.472	3.568	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC3CCN(C4CCCCC4)CC3)CC2)cc1	747584064	BYOTXDLUKRBHTB-UHFFFAOYSA-N	414.594	3.760	10	20	HHCD	
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)C(=O)NCc1ccccc1O	748482326	SKXOMVPBVACXAR-UHFFFAOYSA-N	424.428	3.896	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1csc(Cc2ccc(N)cc2)n1	751936859	MULKEYGBKONFNW-MRXNPFEDSA-N	417.531	3.872	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1	753189548	KILSDKHRHWARGL-BVYCBKJFSA-N	409.530	3.501	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(Cc4ccccn4)c3C)CC2)cc1F	753738377	PRPFJXVXMIXQNQ-UHFFFAOYSA-N	422.504	3.658	10	20	HHCD	
CN(CC(=O)N(Cc1ccco1)Cc1ccccc1O)C(=O)OCc1ccccc1	756858548	DTZGLXDEYNXYMO-UHFFFAOYSA-N	408.454	3.783	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C/c2ccc(OCC(F)(F)F)c(F)c2)SC1=S	757918775	FAAQYOVKFOJXFP-GHXNOFRVSA-N	423.409	3.833	10	20	HHCD	
CC(C)CO[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	759584852	QLJMOZWDJZBCOR-APWZRJJASA-N	411.493	3.713	10	20	HHCD	
COC(=O)C1(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CCSCC1	759902549	PPKNBBBEWHUFCS-UHFFFAOYSA-N	420.962	3.845	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(=O)c1ccc(Cl)s1	760455514	TYYWHHOTYPUORO-ZDUSSCGKSA-N	413.326	3.724	10	20	HHCD	
COc1ccc2[nH]cc(CCN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)c2c1	761000526	CECHFVKVVLOFOQ-UHFFFAOYSA-N	413.861	3.542	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1	761032552	KCAGGVZRUIQZMZ-UHFFFAOYSA-N	408.590	3.725	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cccc(CCOC(C)=O)c3)CC2)cc1	764702409	PQPFNJWLVOPOJL-UHFFFAOYSA-N	411.502	3.545	10	20	HHCD	
Cc1ccc(-c2nnco2)cc1NC(=O)NCc1cccc(Br)c1O	765281198	DYJXBZPNJPUCKW-UHFFFAOYSA-N	403.236	3.835	10	20	HHCD	
O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cnn(-c2ccccc2F)c1	766891639	IIGXMJMHMSVTBK-UHFFFAOYSA-N	402.234	3.825	10	20	HHCD	
COc1ccc(-c2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)n[nH]2)cc1	767976541	RARSLEOPIZFRLX-IBGZPJMESA-N	407.470	3.612	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H](C)CC3CCCCC3)CC2)cc(OC)c1OC	772463290	RYMWCSQOIRCUPV-KRWDZBQOSA-N	419.566	3.903	10	20	HHCD	
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773622324	GNEBCLVPMYTXHO-CVEARBPZSA-N	403.548	3.620	10	20	HHCD	
COC(=O)c1coc([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	774128700	CVSCPTSLVHGFHU-ZDUSSCGKSA-N	412.408	3.772	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](c2cccs2)N2CCC(C)CC2)c1O	774943974	YFZWBZUYVGUMMX-QGZVFWFLSA-N	405.520	3.933	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)Cc2cc(Cl)ccc2F)cc1	775059394	NZEOOUUYDSUBJZ-UHFFFAOYSA-N	422.913	3.732	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1N1CCCCC1	775143651	AMCBCCVZOUEIKC-CRAIPNDOSA-N	401.429	3.720	10	20	HHCD	
CC[C@H](NCC(=O)Nc1ccc(I)cc1)c1ccccc1O	775414205	FCFPOTJYXYDMNJ-HNNXBMFYSA-N	410.255	3.676	10	20	HHCD	
CC[C@@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1nccn1C	777303047	WLQMRVRLKWYZGF-MOPGFXCFSA-N	401.555	3.793	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCc2ccc(N3CCCCC3)cc2)C1	777783904	GQHGXTUDRYAFHU-IBGZPJMESA-N	401.551	3.940	10	20	HHCD	
CCOC(=O)N1CCC([C@@H](C)NCc2cc(Br)cc(OC)c2O)CC1	778197250	DYIPQCVVTAOSAP-GFCCVEGCSA-N	415.328	3.510	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccnn1CC1CC1)c1ccc(N)cc1	783485179	HKHSKMQQSDAQBR-INIZCTEOSA-N	403.486	3.608	10	20	HHCD	
CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@@H](C)c2ccccc2O)CC1	783516119	AHRQLESBOCBPGL-SFHVURJKSA-N	402.560	3.805	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnc(O)c2ccccc12	786863930	BXWFUHWJDRMXIC-UHFFFAOYSA-N	413.424	3.941	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c(F)ccc(OC)c1OC	788517371	MCSHJXQOEKMHNC-UHFFFAOYSA-N	412.255	3.973	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)s1	788929411	HNBAQJFJVGBLGR-INIZCTEOSA-N	405.951	3.885	10	20	HHCD	
Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1	789012114	JUXWFOZPTZZEGA-HNNXBMFYSA-N	413.429	3.954	10	20	HHCD	
Cc1ccc(CN2CC[C@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2=O)cc1	790697203	LPYSTDVQVWKCSG-QHCPKHFHSA-N	422.573	3.782	10	20	HHCD	
CC(=O)N1CCC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)C1	791850153	JCPWDMQWYUBFFX-NRFANRHFSA-N	422.525	3.567	10	20	HHCD	
C[C@H]1C[C@H](NCCCNS(=O)(=O)c2ccccc2Cl)c2c(O)ccc(F)c21	798934600	DGRUUFGTLBXOLI-WFASDCNBSA-N	412.914	3.691	10	20	HHCD	
COc1cc(N2CCN(C[C@H](OC)c3ccc(Cl)cc3)CC2)cc(OC)c1OC	801540688	CIWPKTUMHQUEKJ-NRFANRHFSA-N	420.937	3.876	10	20	HHCD	
COc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)c1OC	804460355	JHLHFPZSPJHEPR-QGZVFWFLSA-N	418.921	3.766	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(N(C)C)cc1	806988021	WXJJLHBAGGVSNP-CYBMUJFWSA-N	412.490	3.831	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1Cl	807121591	FTWOBDKNPANYNA-CYBMUJFWSA-N	408.329	3.895	10	20	HHCD	
C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807289315	PQTOCBAISCYZFW-MBSDFSHPSA-N	403.526	3.509	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2ccc3ncsc3c2)cc1	807565118	GWJHWUIFKMUJSN-INIZCTEOSA-N	424.570	3.978	10	20	HHCD	
COc1cc(Br)cc(CN[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1O	808437478	PJPKFEPQVMNNBK-KSSFIOAISA-N	405.336	3.916	10	20	HHCD	
CCCCN(C)C[C@H](C)NC(=O)N(CC)Cc1cc(Br)ccc1O	812456914	YGWFNSQYQKTRPK-AWEZNQCLSA-N	400.361	3.807	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(F)c3Br)CC2)cc1	814336672	FLLIUBUBZZUHIB-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
Cc1ccc(Br)c(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1	814358243	KXONEZZAKYNFQD-UHFFFAOYSA-N	403.320	3.833	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(-n4cccn4)cc3)SC2=S)c1	884004425	YRPFZOMXHUDCDB-BOPFTXTBSA-N	407.476	3.976	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1NC(C)=O	916111715	YOMDUMXELRAEJG-UHFFFAOYSA-N	417.512	3.886	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccn(Cc2ccccc2)n1	916710815	NIWVQNZXNJVQON-UHFFFAOYSA-N	407.543	3.806	10	20	HHCD	
O=C(Nc1ccccc1C(=O)NCCc1ccc(O)c(O)c1)c1ccc(Cl)cc1	917371559	FGLRHQRKLAISFQ-UHFFFAOYSA-N	410.857	3.976	10	20	HHCD	
Cc1cc(C)cc(N(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	917406139	GJNJZLWJQWDPDC-RTBURBONSA-N	413.537	3.809	10	20	HHCD	
C[C@H](NC(=O)NC1CCC2(CCOCC2)CC1)c1ccc(N2CCOCC2)cc1	1252720221	LGYHPFRJNBKNDX-SFHVURJKSA-N	401.551	3.623	10	20	HHCD	
COc1cc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc(Cl)c1OC	1263697096	LREXEHSSWQEBAJ-UHFFFAOYSA-N	401.894	3.733	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(SC(F)(F)F)cc2)c1	1320506967	NHFDFQGGVFMSQQ-UHFFFAOYSA-N	406.407	3.628	10	20	HHCD	
Cc1cc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)ccn1	1344056761	TYJWPRRJBRPSKQ-UHFFFAOYSA-N	414.468	3.675	10	20	HHCD	
CCc1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1=O	303542933	YVHFUIOKYWMPHE-SFTDATJTSA-N	422.525	3.515	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1nn(-c2ccc(F)cc2)cc1Br	303723516	SFABSJNQIPGNFH-UHFFFAOYSA-N	404.239	3.752	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O	542954674	LWEMZEFCNZDOOV-UHFFFAOYSA-N	422.460	3.533	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	807838120	IXUJDSZLMBGZMA-SNVBAGLBSA-N	415.223	3.647	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1	801550750	DBNQBTJMVLJUTF-UHFFFAOYSA-N	403.544	3.946	10	20	HHCD	
C[C@H](CCC1CCCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	803308749	JHAGJSSYIWVACY-RTBURBONSA-N	415.578	3.566	10	20	HHCD	
CC(C)N1CC[C@H](CNCc2cc(Br)cc(Br)c2O)C1	809735760	RQPILCCDZZEXRO-LLVKDONJSA-N	406.162	3.737	10	20	HHCD	
CC(C)(C)c1cc(CN2CCC[C@H](n3cc(CO)nn3)C2)c(O)c(C(C)(C)C)c1	816641982	LPCGHICTTODFAY-IBGZPJMESA-N	400.567	3.908	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](c2nccn2C)C(F)(F)F)cc1F	816922139	RZFKXLXBDYQCRH-AWEZNQCLSA-N	400.420	3.758	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC[C@@H](n3cc(CO)nn3)C2)cc1	816641956	KWOLVIQUYPMFNK-XMMPIXPASA-N	405.546	3.634	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(N2CCCNC2=O)cc1	812902844	MWXMXINYWYQYBA-SJORKVTESA-N	409.534	3.794	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CCN3)c(C)n1-c1ccccc1	729717783	GPMBYOGUZJJMKC-UHFFFAOYSA-N	417.465	3.888	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3nc(C)cs3)cc2)c1	729061913	LUGRNHRZWHETRP-CYBMUJFWSA-N	411.483	3.649	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1	729063043	HMZZVUIUGWMGKA-LBPRGKRZSA-N	406.866	3.657	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@@H]2CCS(=O)(=O)C2)sc(C)c1-c1ccc(C)cc1	728082534	YLQWDRIJKYUPIV-OAHLLOKOSA-N	421.540	3.582	10	20	HHCD	
CCOc1c(Br)cc(C(=O)NCc2cccc(OC)c2O)cc1OC	727761011	HTOGOEPTKHGVKX-UHFFFAOYSA-N	410.264	3.501	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cc(Br)c2c(c1)OCO2	733973469	LAGZUSUPSIPGCH-UHFFFAOYSA-N	401.307	3.547	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)Cc1ccccc1	735325275	QUCOQLWKNLCWJS-UHFFFAOYSA-N	413.537	3.855	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1	734701799	IDACTBXSWWJXEM-UHFFFAOYSA-N	403.910	3.757	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)CC2)cc1	735686622	FZJXYWOQFZXRIP-UWJYYQICSA-N	403.567	3.805	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CSCC(=O)N(C)C2CCCCC2)cc1F	731347488	ZEDPVYBQIVPCRA-UHFFFAOYSA-N	423.598	3.812	10	20	HHCD	
COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cc(Br)cc(OC)c1O)N2	730271757	CMFPDYTVIIIIQK-GOSISDBHSA-N	419.275	3.901	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H](c3ccccc3)C(C)C)CC2)cc1	733039414	SVLBUWWGASUHCZ-XMMPIXPASA-N	424.589	3.856	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1	734689320	YGFLDMRCTVCWPU-UHFFFAOYSA-N	420.557	3.827	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3c(Cl)nc4sccn34)cc2)CC1	731039226	YAZPPUCRONXQGK-UHFFFAOYSA-N	424.979	3.764	10	20	HHCD	
Cc1ccc(C2=S=C(/C=C3\N=C(c4ccc([N+](=O)[O-])c(C)c4)OC3=O)C=N2)cc1	734315536	RMSLJXWUJGTMIA-YVLHZVERSA-N	405.435	3.567	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@@H]2CCOC2)c(C)n1-c1ccc(Br)cc1	731653457	WBTNZQFHHYNLJI-MRXNPFEDSA-N	421.335	3.640	10	20	HHCD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NCc1ccc(N2CCOCC2)cc1	732243458	WTVMAVBKKBBMNA-INIZCTEOSA-N	421.463	3.972	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc([S@](C)=O)c1	743152066	ZELMXOXJMVLJAZ-DEOSSOPVSA-N	411.321	3.946	10	20	HHCD	
CC(C)(C)CCN1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	918070988	YGIFVNVOVNGJJA-UHFFFAOYSA-N	404.624	3.503	10	20	HHCD	
COCCOC[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	742090665	IIJUNMXBQPIRJA-CYBMUJFWSA-N	409.324	3.638	10	20	HHCD	
COc1ccc(C(=O)CCCC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	918663881	IDEPLFWXQLORCK-UHFFFAOYSA-N	410.514	3.796	10	20	HHCD	
CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCc1ccc(N2CCCC2)cc1	919725237	RBTYCFLBLBXJKN-UHFFFAOYSA-N	411.930	3.546	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1nc(-c2ccccc2F)cs1	749730690	SCHGFHJTPVFECH-UHFFFAOYSA-N	422.532	3.643	10	20	HHCD	
Cc1nc(NCc2ccc(N3CCOCC3)cc2)c2cnn(-c3ccccc3)c2n1	919722927	RTCHQVARCCFLOU-UHFFFAOYSA-N	400.486	3.573	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccccc1OCCn1ccnc1	743145644	MLPXSCXQXWTSEO-UHFFFAOYSA-N	406.486	3.868	10	20	HHCD	
Cc1ccc(N=Nc2cc(C)ccc2NC(=O)c2cn(CC(=O)N(C)C)nn2)cc1	920243066	ANTNTBAJJQFFNS-UHFFFAOYSA-N	405.462	3.651	10	20	HHCD	
Cc1ccc(OCc2nc(CC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cs2)cc1	753644288	KHBSKKLXSHZUKP-OAHLLOKOSA-N	412.511	3.732	10	20	HHCD	
C[C@H](CC[S@@](C)=O)N[C@H](C)c1cc(Br)cc(Br)c1O	756741594	HAXMSCSDUCGQNE-IXGDSRDXSA-N	413.175	3.725	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c2c(O)ccc(F)c21	756549503	FVISHFFNJBYVFB-XFQXTVEOSA-N	411.521	3.567	10	20	HHCD	
CC(C)(C)OC1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	759382396	AKAZVSVDLFXBRB-UHFFFAOYSA-N	420.509	3.680	10	20	HHCD	
CN(C)c1ccc(CN[C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)O)cc1	756384451	PQEJKDHPJRDTRE-SFHVURJKSA-N	416.319	3.782	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C	750447664	XPHUGNMYABBUBR-KRWDZBQOSA-N	406.571	3.833	10	20	HHCD	
C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)cc1O	756360361	RYYDZAFEBJUZRJ-KXBFYZLASA-N	405.336	3.879	10	20	HHCD	
CC(C)[C@@H](CCc1ccccc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765978701	FPVNVKRUKVBOPV-HSZRJFAPSA-N	400.588	3.668	10	20	HHCD	
COc1ccc(C(=O)NCc2cccc(Br)c2O)c(Br)c1	765748630	YJFPGGHLSWCKDI-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
Cn1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C(C)(C)C)n1	769686402	ZODSFAUICOZOOR-UHFFFAOYSA-N	410.484	3.863	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1	769235838	JSQDVJABPYYLED-SIKLNZKXSA-N	403.592	3.873	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3[C@H]4c5ccccc5C[C@H]43)cc2F)C[C@@H](C)O1	767936214	IIQPUHGAYHYMOI-ZZGYHFOGSA-N	423.532	3.824	10	20	HHCD	
COc1cc(Cl)cc(CN2CCN(C(=O)CCCc3ccccc3)CC2)c1O	761195780	NRDZBYOZSUEPRV-UHFFFAOYSA-N	402.922	3.721	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(F)n1	767169357	RBEYHVNGMMTDHO-BENRWUELSA-N	407.517	3.902	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-n2ccnc2)cc1	768915053	IHYGCDRHSAEAQG-IBGZPJMESA-N	410.905	3.626	10	20	HHCD	
C[C@H](c1ccco1)N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769674869	SFBAFGTZERFQJS-GFCCVEGCSA-N	406.485	3.681	10	20	HHCD	
COc1cc([C@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1OC(C)C	775020165	PEFSZSLVRWRVAZ-SFHVURJKSA-N	413.562	3.858	10	20	HHCD	
CC(=O)c1ccc(N2C(=O)/C(=C/c3cc(Br)nn3C)SC2=S)cc1	779205310	VUGWHMPYIWOOQQ-QPEQYQDCSA-N	422.329	3.791	10	20	HHCD	
COc1ccc(Cn2nccc2NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(OC)c1	779468369	VFDFMHYKODQCPI-INIZCTEOSA-N	423.517	3.897	10	20	HHCD	
COC(=O)C[C@@](C)(NCc1ccc(OCc2ccccc2)cc1O)c1ccncc1	789554185	HWXRRHKPZLUWTH-XMMPIXPASA-N	406.482	3.934	10	20	HHCD	
O=C(OC/C(Cl)=C/Cl)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785408082	PVVIUQVJFKWFCK-CLFYSBASSA-N	408.284	3.730	10	20	HHCD	
CCCCc1ccc(CC(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1	786257598	RFMUVPKFRWVJNY-UHFFFAOYSA-N	407.558	3.557	10	20	HHCD	
COc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	786759597	JAZGEQSKCWPNGO-QGZVFWFLSA-N	410.514	3.940	10	20	HHCD	
COc1cccc(COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	785408779	YOTCKJINNWCKRY-UHFFFAOYSA-N	419.480	3.620	10	20	HHCD	
CN(C)Cc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1	789728740	VUQVVHUCBNABLD-UHFFFAOYSA-N	401.513	3.565	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Cc3c(Cl)cccc3Cl)cc2)CC1	786257460	PDNDJLSILZVGMQ-UHFFFAOYSA-N	420.340	3.521	10	20	HHCD	
CCn1ccc(CN(C)c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])c1	790782056	ZDTOHTDWIMUNKH-UHFFFAOYSA-N	413.228	3.732	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3F)C2=O)cn1	790106554	OAUQTWMULVPEGV-SXGWCWSVSA-N	421.494	3.848	10	20	HHCD	
COCCC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cc1	799715514	RGXGYJYSAKUPLW-REWPJTCUSA-N	413.537	3.785	10	20	HHCD	
COc1cc(Br)cc(S(=O)(=O)Nc2ccc(O)cc2SC)c1	792703356	WHQQLUJSDPVYNO-UHFFFAOYSA-N	404.307	3.686	10	20	HHCD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C	792222252	RLTWEXJMAFNLJB-KRWDZBQOSA-N	411.550	3.654	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3c(C)ncnc3O)c2C)cc1	1317819046	PVQSSSQTNDIHGW-UHFFFAOYSA-N	407.470	3.565	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2cccc(OCC(N)=O)c2)c1	1323283583	OBEIVZDDEHFKGK-UHFFFAOYSA-N	411.889	3.542	10	20	HHCD	
C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	6012359	YUJNCOSWQLXVOM-CFRMROPGSA-N	415.401	3.639	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H](c1ccccc1)N1CCCCC1=O	110897822	FSSFUJFNIOEFIC-HSZRJFAPSA-N	423.582	3.610	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	140128779	OEFQVYFSVRHMPD-AWEZNQCLSA-N	414.449	3.582	10	20	HHCD	
CC(=O)Nc1c(C)ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C	142141262	WGFQJTLCBICYRV-QGZVFWFLSA-N	410.518	3.981	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)nc1-c1ccc(F)cc1	195533988	ACCJTGPGKKKHOB-UHFFFAOYSA-N	404.444	3.729	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncnc2c1cnn2-c1ccccc1	301863328	LZVPPACLIFIPKL-IBGZPJMESA-N	401.470	3.707	10	20	HHCD	
COc1ccc2cc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2n1	303219773	UOXMMEPBHGEESZ-UHFFFAOYSA-N	420.513	3.774	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c(O)c1O	727005702	VNSWXOICNORLLG-UHFFFAOYSA-N	413.426	3.633	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1-c1ccccc1	727245788	NSFHKMIOSQHZMQ-UHFFFAOYSA-N	406.460	3.927	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3c(s2)CCOC3)cc1	728520108	WHFIGXGCKVNVNA-LJQANCHMSA-N	400.544	3.708	10	20	HHCD	
Cc1cccc([C@@H](CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)NC(N)=O)c1	731014714	GSWOYXRPPWIALE-JOCHJYFZSA-N	408.546	3.647	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)cc2)CC1	731017067	UTSWZGYAZZVLOE-UHFFFAOYSA-N	420.488	3.538	10	20	HHCD	
CN1CCCc2cc(CNS(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)ccc21	732218794	LUJAKXNMSHJAOU-UHFFFAOYSA-N	414.449	3.587	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3cc4ccccc4nc3O)CC2)cc1	732227872	FSVGRQHNNCAHCC-UHFFFAOYSA-N	423.538	3.531	10	20	HHCD	
COc1cc2c(cc1OC)CN(C(=O)CCCNCc1c(O)cccc1Cl)CC2	733328138	ORGYNSVIDCYFBF-UHFFFAOYSA-N	418.921	3.518	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CSc4ccccc43)cc2F)CC1	735581242	OGJVKJCGNVSVMB-LJQANCHMSA-N	414.550	3.614	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(F)cc3Br)c2)CC1	739773708	JXBZUGPXLRTRKL-UHFFFAOYSA-N	420.282	3.542	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1C	739816563	JVUPZPBCWOZHQX-UHFFFAOYSA-N	403.408	3.669	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)c2ncccn2)c(C)n1-c1ccc(OC(F)F)cc1	741035459	APMHUVKVWBIWJW-AWEZNQCLSA-N	415.396	3.914	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c(C)n1-c1ccccn1	741235667	UBFHJUXBMSTYKX-XXBNENTESA-N	418.541	3.508	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(F)c(F)c(F)c3)cc2F)CC1	741400848	MQHMEFHRECHRQM-UHFFFAOYSA-N	410.415	3.707	10	20	HHCD	
Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743623754	DQFACBPLJKOBNZ-XJKSGUPXSA-N	422.476	3.792	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1	750519617	PBGKCGMCOHUGJA-QGZVFWFLSA-N	419.489	3.779	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)CCc3ccccc3)CC2)c1O	751483460	OANUMFIWUNQGJP-UHFFFAOYSA-N	414.933	3.915	10	20	HHCD	
CCS(=O)(=O)NCCCSc1ncc(-c2ccccc2)n1CC(F)(F)F	753754744	SDTHNQMHGIPPRK-UHFFFAOYSA-N	407.483	3.534	10	20	HHCD	
CC[C@@H](NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)s1	754334235	PGOVHIDMDUUDPF-PKOBYXMFSA-N	424.010	3.634	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c2C)c1	754652232	MBKXTHPDOGMSCD-NVXWUHKLSA-N	422.616	3.752	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cccc(NC(=O)c3ccccn3)c2)c1	756434186	JJNYPGFUZBDVLN-OAHLLOKOSA-N	405.454	3.677	10	20	HHCD	
CCNc1nc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	759268743	DOUXKXUXZNHGDI-CYBMUJFWSA-N	410.490	3.884	10	20	HHCD	
COCCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)cc1	760016011	JZXMTJQZPHTCMV-INIZCTEOSA-N	403.544	3.542	10	20	HHCD	
CCCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1	760092870	YENRGLIIEOWSPQ-UHFFFAOYSA-N	401.482	3.716	10	20	HHCD	
COc1cc(N2CCN(Cc3cn(-c4ccccc4)nc3C)CC2)cc(OC)c1OC	761220217	WSCQAPVTOQREBE-UHFFFAOYSA-N	422.529	3.529	10	20	HHCD	
Cc1ccccc1-c1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n(C)n1	764736424	NEZCZUOWWDWBQZ-UHFFFAOYSA-N	423.492	3.693	10	20	HHCD	
COc1cc(Br)cc(CN(C)CC(=O)Nc2cccc(C)c2C)c1O	768181164	XITXOTDVRROBAK-UHFFFAOYSA-N	407.308	3.851	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC(CO)(Cc4ccccc4)CC3)ccc21	770445509	KWBUDIZPXGZBTH-UHFFFAOYSA-N	407.558	3.596	10	20	HHCD	
C[C@H](NC(=O)Cc1cc(Br)ccc1F)c1ccc(N2CCOCC2)cc1	771249752	GOKMLCLRZBYTIH-AWEZNQCLSA-N	421.310	3.845	10	20	HHCD	
Cc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c(C)n1-c1ccc(Cl)cc1	771580814	FESRSOOQMFWHJZ-HXUWFJFHSA-N	401.938	3.731	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1	772594571	PYNYLOCTFDOADF-UHFFFAOYSA-N	407.257	3.955	10	20	HHCD	
COc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC	773190500	GBZLPOOEAGETMO-CABCVRRESA-N	401.507	3.900	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2c(OC)cccc2OC)n1	775149765	XPASUAKGWDILLK-UHFFFAOYSA-N	424.475	3.776	10	20	HHCD	
CC[C@H](NC[C@H](O)c1cc(OC)ccc1OC)c1cc(Br)ccc1O	775486904	JFAWWTDQWUSXRU-WMZOPIPTSA-N	410.308	3.946	10	20	HHCD	
C[C@@H](NCC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(N(C)C)cc1	775831822	VAMISQJMDMTKPF-CQSZACIVSA-N	403.910	3.857	10	20	HHCD	
COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c(OC)c1	775834645	BSJKJCNMEQAAFB-HTAPYJJXSA-N	411.546	3.784	10	20	HHCD	
CCOC(=O)c1sc2nc(CN[C@@H](C)c3ccc(N(C)C)cc3)nc(N)c2c1C	775835692	WCVANYSJROQSNS-ZDUSSCGKSA-N	413.547	3.675	10	20	HHCD	
Cn1cc([C@@H](NC(=O)NCCCSc2nccs2)c2ccc(F)cc2)cn1	776161564	PAPQRCICLJORJP-INIZCTEOSA-N	405.524	3.587	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@H]2COC3(CCCCCC3)O2)c1O	776959194	INXKENVIXGLDSO-OAHLLOKOSA-N	400.313	3.719	10	20	HHCD	
Fc1cc(CNc2nc3cc4c(cc3s2)OCCO4)ccc1N1CCOCC1	777508846	SQYLXLHRYYYMFH-UHFFFAOYSA-N	401.463	3.655	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C/c3cccc(C(=O)OC(C)(C)C)c3)SC2=S)CC1	777875884	SQCVEGMRMLBKFI-LGMDPLHJSA-N	418.584	3.937	10	20	HHCD	
Cc1cc(C(=O)N[C@H](c2ccccc2)c2nn[nH]n2)c(C)n1-c1cccc(Cl)c1	779184423	IEEZXNJHOCFEIB-LJQANCHMSA-N	406.877	3.780	10	20	HHCD	
O=C1Nc2ccccc2[C@]12CCN(Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)C2	779194048	VWLLZAHBYKZDKG-HSZRJFAPSA-N	406.486	3.681	10	20	HHCD	
COC(=O)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1	779547926	YDCVYBQRHYVQQC-RUGXIKGKSA-N	409.360	3.550	10	20	HHCD	
OCC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1Br	781639007	NRDVQLVZNCQKPZ-IBGZPJMESA-N	423.326	3.638	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)Oc3cccc(C(C)C)c3)cc2)CC1	786661727	YGAIKSJNZCJEGL-LJQANCHMSA-N	423.557	3.562	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cnc(C(F)(F)F)cc3OC)CC2)cc1	792510130	JTSZYCKMXCWENO-UHFFFAOYSA-N	424.423	3.908	10	20	HHCD	
C[C@H](O)CN1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)[C@@H](C)C1	793874527	KDIBRPLADWVQCN-ROUUACIJSA-N	409.534	3.695	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cscc1Br	796815295	XTRXQQLPRQOZDR-UHFFFAOYSA-N	413.312	3.541	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCc4cnn(C)c4C3)c2C)c1	798767160	ZKMKXAULJWKDRO-GOSISDBHSA-N	405.498	3.667	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1	799589414	OQNUHDBEHFGNKB-GOSISDBHSA-N	418.582	3.897	10	20	HHCD	
C[C@H](Sc1nncn1C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800049708	UKGXYAHWNXLBQJ-KGLIPLIRSA-N	407.971	3.502	10	20	HHCD	
C[C@H](NCCS(=O)(=O)CCc1ccccc1)c1ccc(N2CCCCC2)cc1	800505328	VBGOXANGDQZJPC-FQEVSTJZSA-N	400.588	3.985	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCc1ccc(S(=O)(=O)CC)cc1	801546453	PIKWPZNTIVAWOS-UHFFFAOYSA-N	403.544	3.947	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3ncnc4sc([N+](=O)[O-])cc34)cc2F)C[C@@H](C)O1	804359310	OCYBPOSDMAIHLO-VXGBXAGGSA-N	417.466	3.964	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H]3c3cccs3)cc2)CC1	805022682	AQTRBKRJLAYQAS-HXUWFJFHSA-N	411.571	3.964	10	20	HHCD	
O=C(N[C@H](CC1CC1)c1ccccc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	806292660	GGRJPVVWTRWZDG-FCHUYYIVSA-N	422.525	3.557	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)C3CCC(F)(F)CC3)cc2F)CC1	806749526	AIWTYDQKIRVNHN-UHFFFAOYSA-N	412.500	3.687	10	20	HHCD	
CC(=O)C(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1	808010368	UYYMPHCPHDVHBF-UHFFFAOYSA-N	410.476	3.957	10	20	HHCD	
Cc1cc(Br)c(O)c(CN(C)CCn2cc(Br)cn2)c1	809792539	ABZNJYGJRURJCC-UHFFFAOYSA-N	403.118	3.554	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](O)c3ccc(Cl)cc3F)cc2F)C[C@@H](C)O1	813416347	OGSDXCRTEPVSJN-IZDJOXEWSA-N	424.875	3.582	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@H]3OCCc4sccc43)CC2)cc1	813865939	BEGFZAXLXDHOEG-HRAATJIYSA-N	415.559	3.681	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c([N+](=O)[O-])c1	817989349	IBDDBCJSFZZWNV-UHFFFAOYSA-N	411.486	3.898	10	20	HHCD	
COCc1ncc(CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c(N)n1	820037531	CIBDWJPVVPTEEH-UHFFFAOYSA-N	407.518	3.666	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(C4CC4)nc4onc(C)c34)CC2)cc1	917822298	QHQGSCNSQINJSJ-UHFFFAOYSA-N	406.486	3.770	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c2c(C(C)C)noc2n1	920895005	ANBJMXOBWSZSMU-UHFFFAOYSA-N	424.501	3.536	10	20	HHCD	
C[C@H]1CCCCN1C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1116442996	AYVIMJZMMYRRGS-RBBKRZOGSA-N	402.602	3.664	10	20	HHCD	
Cn1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc(Br)c1C=O	1335413490	QHXYGURSMADERB-UHFFFAOYSA-N	417.259	3.741	10	20	HHCD	
C[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1	1803220830	CFQRPRBSISXILE-JMGPTOKJSA-N	420.937	3.829	10	20	HHCD	
Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1-c1ccc(OC(F)F)cc1	46560637	YIHVEXBFGVLZIW-UHFFFAOYSA-N	419.457	3.625	10	20	HHCD	
OC1CCN(c2ccc(CNc3nc(-c4ccccn4)nc4c3CCC4)cc2F)CC1	301311922	HSOWVTOKRHLKAE-UHFFFAOYSA-N	419.504	3.740	10	20	HHCD	
Oc1ccccc1CN(C[C@H]1CCCO1)c1ccc2nnc(-c3ccsc3)n2n1	302519864	YRAPRPRKEIRHBC-QGZVFWFLSA-N	407.499	3.744	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	302833208	LYGUZQSSIAFDIU-KRWDZBQOSA-N	418.921	3.982	10	20	HHCD	
CCO[C@H](C)c1noc(CN(C)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1	464037587	GJLRRJLZLDYXOG-MRXNPFEDSA-N	414.506	3.657	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3c(C)c4ccccc4n3C)C2)cc1	471221534	VQPYUFBFOACRGZ-FQEVSTJZSA-N	403.526	3.964	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c2cccnc2c1C	472811685	RXTXBFHMQNTFHY-UHFFFAOYSA-N	400.482	3.907	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1)C1=S=CC=C1	546324616	FAYAKRSGQSUNJP-UHFFFAOYSA-N	417.494	3.615	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ccncc2Br)CC1	553224456	YOZGGISEUCXFAS-UHFFFAOYSA-N	412.287	3.667	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc21	670404112	UTSJWGVIMUSZLJ-ROUUACIJSA-N	400.441	3.582	10	20	HHCD	
Cc1ccc(OCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726609031	KAQNYWNNUZWXHZ-UHFFFAOYSA-N	419.472	3.943	10	20	HHCD	
CC(C)c1nc(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)cs1	726611358	OXPIQPKSWYVFGQ-UHFFFAOYSA-N	404.605	3.862	10	20	HHCD	
CC(C)N(CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(C)C	726702105	DAILIBDZSDHWMP-UHFFFAOYSA-N	412.525	3.675	10	20	HHCD	
O=C(NCCCc1nc2ccccc2[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1	727227915	DPLVBLJGTIJJFB-SFHVURJKSA-N	408.502	3.592	10	20	HHCD	
COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1	727244005	OWZGSVYPOPBXEQ-UHFFFAOYSA-N	416.452	3.737	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c1O	729561549	CAOBGSHRPNKLJQ-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1F	730489214	RVPZJFGSMFHJOD-UHFFFAOYSA-N	408.355	3.891	10	20	HHCD	
COC(=O)CN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1cc(Cl)ccc1O	731844494	DAMFEQOLHZWMNY-UHFFFAOYSA-N	422.268	3.924	10	20	HHCD	
COc1ccccc1CC(C)(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	732934817	UUTZQBJNUOFTQG-UHFFFAOYSA-N	400.494	3.556	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)Oc3ccc(F)cc3Cl)CC2)cc1	733097842	ZZFFIHYKTLTRNZ-OAHLLOKOSA-N	406.885	3.994	10	20	HHCD	
Cc1cc(C(=O)N2CCC(OCCN(C)C)CC2)c(C)n1-c1ccc(Cl)cc1	733155401	BQGBIGGFCXVOPD-UHFFFAOYSA-N	403.954	3.930	10	20	HHCD	
COC(=O)CCCc1nc(COC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)no1	733389714	KGAWWRPTVXJATR-UHFFFAOYSA-N	411.458	3.638	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)c1	734070732	JNYWXXLTVNHCNL-UHFFFAOYSA-N	420.465	3.757	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CC3)cc2F)C[C@@H](C)O1	734320820	YYLVHQPUZABSAJ-HZPDHXFCSA-N	400.469	3.926	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3Cc3ccccc3)cc2F)C[C@@H](C)O1	743555228	SQPPATIQMHYZHA-ZFNVSSEQSA-N	411.521	3.870	10	20	HHCD	
CCN(CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)Cc1cc(Br)ccc1O	744426695	URIZXQFNUDAAAD-UHFFFAOYSA-N	423.307	3.591	10	20	HHCD	
Cc1cccc2c(CCNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c[nH]c12	745646199	CBBGDMDGPUBCAH-UHFFFAOYSA-N	424.520	3.618	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@H]3c3cccc(F)c3)cc2F)CC1	745808021	JDRDZZMSZAUUBF-NRFANRHFSA-N	414.500	3.763	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ncc(C(C)(C)C)o3)cc2F)C[C@@H](C)O1	746775441	YBZCIFVUZUAFGS-GASCZTMLSA-N	418.513	3.724	10	20	HHCD	
Cn1cc(N2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2=O)cn1	750579079	CBERSSHADBOPNY-UHFFFAOYSA-N	403.446	3.716	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)Cc1cccc(F)c1	751469213	VZOOURANJBNUGK-UHFFFAOYSA-N	402.285	3.646	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c(C)o1	754695110	UQORTYNBRNULBE-UHFFFAOYSA-N	410.448	3.746	10	20	HHCD	
O=C(COC(=O)/C=C/c1cccs1)Nc1cccc2c1C(=O)c1ccccc1C2=O	755181079	UHFAJJKNXKUYBD-ZHACJKMWSA-N	417.442	3.719	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cc(Br)ccc1O	756371669	MKFRACKGIGOUJY-QMMMGPOBSA-N	403.198	3.861	10	20	HHCD	
C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cc(Br)c(F)cc1O	756632939	FIGOJCVZGWAATR-LLVKDONJSA-N	416.312	3.689	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)cc(F)c1O	756712953	RADDAZZFJWRBFS-ZUZCIYMTSA-N	411.246	3.889	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c1	756802142	ABNCBHLAQULCSQ-HUUCEWRRSA-N	408.458	3.748	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@H](O)c1ccccc1C(F)(F)F	759586123	NWPJCPDVUINFTA-CYBMUJFWSA-N	405.467	3.677	10	20	HHCD	
CC[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	760657468	PCXOBXRHYFCKEL-KCQAQPDRSA-N	405.436	3.970	10	20	HHCD	
CC(=O)Nc1cccc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	761008063	ZWTYJBFQIASVTK-GFCCVEGCSA-N	401.850	3.529	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cnn(-c3ccccn3)c2C)nc1-c1ccccc1	764526469	NZOXGCFXMRDJFK-UHFFFAOYSA-N	411.512	3.808	10	20	HHCD	
COc1ccc([C@@H](OC)[C@H](C)NC(=O)NCc2cccc(Br)c2O)cc1	764805137	IRKMYANEPYFCIX-SGTLLEGYSA-N	423.307	3.739	10	20	HHCD	
C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1	765336004	CRMRPIWTSLICFS-CQSZACIVSA-N	406.885	3.938	10	20	HHCD	
CC(=O)c1cccc(OCCCC(=O)NCc2cccc(Br)c2O)c1	765751192	ROVCQIQNEWWTSX-UHFFFAOYSA-N	406.276	3.833	10	20	HHCD	
CCOc1ccc(O)c(CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c1	768818683	VDYNANNUBUUTNW-KRWDZBQOSA-N	408.502	3.720	10	20	HHCD	
COc1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1O	769316193	MOUUOESKPFBCDE-UHFFFAOYSA-N	411.380	3.650	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cn(C)nc3-c3ccccc3)cc2F)C[C@@H](C)O1	772240757	MMBBSYKDRZGFJM-IAGOWNOFSA-N	422.504	3.770	10	20	HHCD	
CN1C(=O)CCc2cc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)ccc21	773896756	GKEBXHCKEGIZPB-GIJQJNRQSA-N	424.503	3.730	10	20	HHCD	
Cc1cccc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c1O	775653715	ALHKFPKMQINPFI-UHFFFAOYSA-N	404.308	3.709	10	20	HHCD	
C[C@H](NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)c1ccc(N(C)C)cc1	776249995	RRPQRNPHEZFJPB-SCLBCKFNSA-N	421.950	3.637	10	20	HHCD	
COc1cc(F)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1F	782896155	KWHZTMHXRONJJG-UHFFFAOYSA-N	418.440	3.979	10	20	HHCD	
COC(=O)c1scc(C)c1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784058366	RTUIAYJIARBCLA-UHFFFAOYSA-N	415.515	3.730	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F	785296191	LOOPPLHJUNKVRP-CQSZACIVSA-N	408.429	3.590	10	20	HHCD	
Cc1nnc2c3ccccc3c(NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)nn12	786576044	OPMDEVFWYVLGHO-GJZGRUSLSA-N	420.492	3.951	10	20	HHCD	
O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1cccc(Br)c1O	790282857	XXALENWYMGUEOT-UHFFFAOYSA-N	422.279	3.507	10	20	HHCD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)cc1CC	790415322	DHPOCDLNAQPOTG-UHFFFAOYSA-N	400.294	3.917	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc4c3OCC[C@H]4OC)CC2)cc1F	790575101	DWQBVIKPIFULBV-LJQANCHMSA-N	415.465	3.658	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(F)c1	790639936	UNQPVUPKTNTLAS-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1	797649044	NRIPRRMTNUHLNF-UKRRQHHQSA-N	420.893	3.919	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCc4n[nH]cc4C3)cc2Cl)C1	799953990	GJZRZZPIGZLEJJ-PBHICJAKSA-N	401.942	3.656	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1	800901242	PWXDOMKDDKIKJM-UHFFFAOYSA-N	402.413	3.662	10	20	HHCD	
Cn1ncc(NC(=O)NCc2cccc(Br)c2O)c1-c1ccccc1	806780176	YSGNAXZDTQXHOD-UHFFFAOYSA-N	401.264	3.877	10	20	HHCD	
CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807675640	ZGUKGQGEBFGNSR-QZTJIDSGSA-N	411.546	3.732	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2oc3ccccc3c2OC)cc1	809725211	LTGYRFZHNHXFSB-UHFFFAOYSA-N	423.513	3.562	10	20	HHCD	
CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N(Cc3ccccc3O)C3CCCCC3)[C@H]2C1	812433022	HYHUAZDSZACEQB-YUXAGFNASA-N	413.562	3.884	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc(Br)c3O)CC[C@H]21	814174511	BNSVLPMNZDLUAE-CZUORRHYSA-N	411.340	3.986	10	20	HHCD	
COc1ccc(-c2nnc(COC(=O)c3cc(C)n(-c4ccccn4)c3C)o2)cc1	914613995	QFNXMOJYTSFENZ-UHFFFAOYSA-N	404.426	3.905	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)c(C)n1-c1ccccn1	914903651	QZEKHSPZHHFWIG-YLJYHZDGSA-N	419.481	3.674	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1csc(Cc2ccccc2)n1	915455178	ZHECSRLJWHTDFC-UHFFFAOYSA-N	423.538	3.615	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)cc1	915651896	IBLXRXCSQYHGKT-LJQANCHMSA-N	404.514	3.644	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](c1ccccc1)c1ccccn1	915903794	DYAXWOVJDWBHTB-XMMPIXPASA-N	416.525	3.849	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3nc4ccccc4nc3C)CC2)cc1	916081188	OSWMPXCEORIKOQ-UHFFFAOYSA-N	422.554	3.529	10	20	HHCD	
CN(CCCOc1cccc(Cl)c1)CC(=O)N(C)Cc1ccc(N(C)C)cc1	917086025	FNAJLKUBCMLBSD-UHFFFAOYSA-N	403.954	3.765	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CSc3ccc(O)cc3)cc2F)C[C@@H](C)O1	917254185	RVRUIVQSNWZLHM-HUUCEWRRSA-N	404.507	3.553	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1	918199731	AZJIBKXQTDEAGG-OAQYLSRUSA-N	409.509	3.994	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1Cc1ccccc1	918220383	CXIUZBVWYAOMRY-FQEVSTJZSA-N	411.521	3.704	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)Cn3c(CSC)nc4ccccc43)CC2)cc1	1116348023	JNVHGYGBOGGNTR-UHFFFAOYSA-N	424.570	3.647	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@](C)(C(=O)OC)c3ccccc3)ccc21	1318236687	NOYYJDSHQRQZFR-XMMPIXPASA-N	408.498	3.723	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3Cc3ccncc3)cc2)CC1	1318408462	LRQSVHLOURDALS-DEOSSOPVSA-N	406.574	3.989	10	20	HHCD	
COc1cc(Br)cc(CNCc2cccc(OCC(F)(F)F)n2)c1O	1339382811	RXRUGWQVBOHIHJ-UHFFFAOYSA-N	421.213	3.789	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(-n4ccc(C(N)=O)n4)cc3)c2C)c1	110912047	YIUKLMSDFHDNMW-UHFFFAOYSA-N	413.481	3.939	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)c3cccs3)c2C)cc1	28614828	HQCYAVSRXJJDGI-UHFFFAOYSA-N	410.495	3.620	10	20	HHCD	
CCNC(=O)CN1CCCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1	303067810	ZEYXTYIJMOTLHE-UHFFFAOYSA-N	424.589	3.502	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1	145500871	HFVWZAHFODWVAE-WZONZLPQSA-N	410.514	3.572	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccccc1)c1nccs1	804007285	FBNSTXDAYOFJQG-FQEVSTJZSA-N	423.538	3.883	10	20	HHCD	
CCN(C)C(=O)c1cccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	806774389	SNTCHYFNTRPAPB-UHFFFAOYSA-N	410.518	3.531	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1Br	472801100	AXFZDFLMQNYWIP-UHFFFAOYSA-N	414.303	3.813	10	20	HHCD	
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807837639	YZOJRSHMZXIUMS-KRWDZBQOSA-N	407.297	3.815	10	20	HHCD	
Cc1ccc(SCc2nnc(N(C)Cc3ccc(N4CCOCC4)cc3)n2C)cc1	800765465	BFWCLHNMTIZEEM-UHFFFAOYSA-N	423.586	3.889	10	20	HHCD	
CCN(C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@@H](C)c1cccnc1	805026472	PCDQJVAMLNMYKA-IBGZPJMESA-N	408.546	3.544	10	20	HHCD	
CCOC(=O)c1nc(N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(C(C)(C)C)n1	804578113	LBWNSKIXZJYXRL-KRWDZBQOSA-N	413.518	3.842	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2nc(C)nn2c1	809898260	WQRLZLUTAOMGOD-UHFFFAOYSA-N	404.268	3.560	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(F)c3Br)c2)CC1	816161732	DJUXDCOPWZQPRE-UHFFFAOYSA-N	406.299	3.982	10	20	HHCD	
CO[C@@](C)(CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1CC1	813313006	MFZCTKGHFUXNNB-LSSBLYJVSA-N	424.613	3.661	10	20	HHCD	
CCOc1ccc([C@@H](O)C2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1	812314626	MTGJAMZBXUFQEZ-HSZRJFAPSA-N	411.546	3.807	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c1	728977807	DPAIJXDWHVBMNC-NLZINVLXSA-N	408.498	3.530	10	20	HHCD	
CN(C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1)C(=O)OC(C)(C)C	726249591	JSUJWBNIIYGVNY-KRWDZBQOSA-N	422.545	3.680	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(COCc3ccco3)c2)c1	729063961	MMEKGOCJGXWFNN-OAHLLOKOSA-N	424.453	3.527	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccco1	726708031	FNABWUYWSMLLTA-OAQYLSRUSA-N	414.550	3.639	10	20	HHCD	
CC(C)(C)c1nc2cc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)ccc2o1	737099045	CFAHOZRYPHFJHR-UHFFFAOYSA-N	420.513	3.980	10	20	HHCD	
CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731015159	KJPBKFNTZFOYRT-UHFFFAOYSA-N	400.544	3.647	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1	730910098	RZNHFQPOFWELSQ-FQEVSTJZSA-N	416.566	3.826	10	20	HHCD	
Cc1cc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)ccc2[nH]1	737191432	RNZQXJYFQLAEKY-UHFFFAOYSA-N	404.514	3.968	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1	734016570	SYCCVDZOBZAOJC-QGZVFWFLSA-N	423.296	3.629	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC(=O)Nc2c(C)cccc2C)cc1F	731363608	JXJCINMXNIOZPJ-UHFFFAOYSA-N	400.498	3.727	10	20	HHCD	
CCOc1ccc(N(C)C(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1	739772461	ZXQHTFMDBLBZAF-JWGURIENSA-N	401.466	3.914	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1	917369775	SJYRCMKFBSLZIJ-UHFFFAOYSA-N	407.455	3.538	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccccc2Cn2cccn2)C2CC2)cc1	918061910	FUWNELJGTOPMNX-UHFFFAOYSA-N	403.530	3.872	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(OCC(F)(F)F)cc1	914981136	HKZARMLUIFNUCW-UHFFFAOYSA-N	424.419	3.509	10	20	HHCD	
CCCN(Cc1ccc(C)cc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	918118448	SHYZZKPQBYXCBW-QFIPXVFZSA-N	422.573	3.819	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CS(=O)(=O)CCCc1ccccc1	915284451	JMDNTPRCDHZLNF-UHFFFAOYSA-N	416.587	3.537	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)CCc3cccs3)cc2F)C[C@@H](C)O1	743554447	FEADUPYWQONTOE-IYBDPMFKSA-N	405.539	3.885	10	20	HHCD	
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	743958442	XKQSOEGJUUKFKU-UHFFFAOYSA-N	415.493	3.896	10	20	HHCD	
O=C1CC[C@@]2(C(=O)NCc3ccc(N4CCCCC4)cc3)Sc3ccccc3N12	742476241	PKOBBDBKSAOQCQ-QHCPKHFHSA-N	407.539	3.922	10	20	HHCD	
Cc1ccc2c(CCNC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c[nH]c2c1	749423070	GFBIJXVVXKHOCK-UHFFFAOYSA-N	420.557	3.727	10	20	HHCD	
CO[C@H](C)c1noc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n1	747530462	WQBHPELZJYWVOT-CQSZACIVSA-N	402.495	3.755	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)c2)cs1	743956960	ZGYDVQXCOJHAHR-UHFFFAOYSA-N	421.522	3.958	10	20	HHCD	
CCCCCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	748460414	DVZTWHWFLLDVEH-SFHVURJKSA-N	406.546	3.510	10	20	HHCD	
CCc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	749918664	MDSYNJKMPUVKJA-FQEVSTJZSA-N	407.558	3.545	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1	916672758	PLRPBWWMDMSNHR-UHFFFAOYSA-N	418.563	3.541	10	20	HHCD	
CCCOc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)c1	918053302	YCTXAJUTJYLHMK-IBGZPJMESA-N	424.545	3.807	10	20	HHCD	
COc1sc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1Br	746521235	FUDKJUVNVRBMLF-RMKNXTFCSA-N	422.347	3.585	10	20	HHCD	
CCCCO[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	920917063	JNTNZGGXZPMCPQ-GJZGRUSLSA-N	423.465	3.537	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CCCCS2(=O)=O)c(C)n1-c1ccc(C(C)C)cc1	752830940	QGDGFSCGTCSESL-FQEVSTJZSA-N	402.560	3.915	10	20	HHCD	
Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cnn1-c1ccccn1	754547039	CVDCYYFNWSQIMV-UHFFFAOYSA-N	408.417	3.603	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccccc1)C[C@H](O)c1ccco1	753138391	NMMRCKQXCNAXOF-QHCPKHFHSA-N	421.541	3.540	10	20	HHCD	
CCc1cccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c1	751552756	FJEJVVREAHHMTQ-UHFFFAOYSA-N	421.569	3.871	10	20	HHCD	
Cc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(N(C)C)n1	750405027	ZUAOYZZMUZTAEV-UHFFFAOYSA-N	419.476	3.848	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)cc1F	755346703	FLRICOCXEQVIJH-OAHLLOKOSA-N	424.513	3.537	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H]3COc4ccc(Br)cc43)ccc21	758881246	OATUXSOLYHBSPD-KRWDZBQOSA-N	401.304	3.624	10	20	HHCD	
COc1ccc(CCC(=O)N2CCCN(Cc3ccc(N(C)C)c(F)c3)CC2)cc1	769208609	MCZHNOPATLXWJP-UHFFFAOYSA-N	413.537	3.567	10	20	HHCD	
CC[C@@H](C)n1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C1CC1	760375358	BFKDDFSEIZPPHJ-QGZVFWFLSA-N	410.562	3.870	10	20	HHCD	
O=C(Cc1c[nH]c2ccc(F)cc12)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768913215	WXTGGCKDSIQSFX-GOSISDBHSA-N	415.896	3.989	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)C2CC2)cc1	761820996	OAGVMXZGUSYJFH-OAQYLSRUSA-N	424.520	3.761	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(F)ccc2SCC(F)F)c1	769900726	QYUPSZLICDCAHM-UHFFFAOYSA-N	420.434	3.512	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)c3cc(OC)ccc3OC)c2C)cc1	762338566	UIKNVMYSJHVNRB-JOCHJYFZSA-N	424.497	3.583	10	20	HHCD	
COCC[C@]1(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CCOC1	773335986	SVRZTDZMJNYOJV-FQEVSTJZSA-N	421.335	3.782	10	20	HHCD	
COc1ccccc1N1CC[C@@H](N[C@H](C)c2cc(Br)cc(C)c2O)C1=O	779036116	LOKIQYXXNHPCIS-CZUORRHYSA-N	419.319	3.928	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H](O)c1c(Cl)cccc1Cl	771844208	RIDFOAGHAXRHSU-QVKFZJNVSA-N	408.373	3.957	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc([C@H]4[C@@H](C=C(C)C)C4(C)C)n3)CC2)cc1	771057488	OOHPKOWLCZQLMF-DENIHFKCSA-N	424.545	3.675	10	20	HHCD	
COc1ccc(N2CCC(NCc3ccc(C)nc3-n3cc(Cl)cn3)CC2)cc1	786945172	HCKPZABWKKTOIF-UHFFFAOYSA-N	411.937	3.996	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)ccc1C	784024821	UXWFUTKSMWVJRX-UHFFFAOYSA-N	405.292	3.840	10	20	HHCD	
CCOc1cccc2[nH]cc(CC(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)c12	782683608	QFZYUEBRVWKHMH-UHFFFAOYSA-N	411.477	3.606	10	20	HHCD	
CCC[C@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)Nc1cccc(N2CCCC2)c1	780920424	DCLDPZDLFZJLSU-IBGZPJMESA-N	411.502	3.544	10	20	HHCD	
CCc1ccc(C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788911241	LCMQOBVJWCNNIR-UHFFFAOYSA-N	407.558	3.559	10	20	HHCD	
CC(C)(C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1CCOCC1	787530174	TZDSUHMVTFASIP-UHFFFAOYSA-N	410.474	3.695	10	20	HHCD	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCOc3cc(N(C)C)ccc32)CC1	789652996	VTQIXWQLNZQTDH-UHFFFAOYSA-N	424.501	3.936	10	20	HHCD	
CC1(C)C[C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cc([N+](=O)[O-])ccc21	788581109	SFDKYGFRVIFAJC-VGOFRKELSA-N	422.529	3.809	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C(C)=C/c3ccccc3Cl)cc2)CC1	786257451	OWPOWRIDSKIWSW-BMRADRMJSA-N	411.933	3.728	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2O)c1	788587268	HOISSEXNKVVPTC-NWDGAFQWSA-N	402.438	3.731	10	20	HHCD	
CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	783719752	OJYLNMSCXSSRKW-UHFFFAOYSA-N	407.530	3.542	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2cccc(C(F)F)c2)cc1	780383468	XXWIGFIBNXSYIK-UHFFFAOYSA-N	406.458	3.736	10	20	HHCD	
C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cccc(C(F)(F)F)c1O	788602994	QEEKKFPEWWMSSF-KNBMTAEXSA-N	408.464	3.945	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1	780310538	KXARVZKEQGKCHK-QFBILLFUSA-N	401.473	3.816	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1CN1CCNC1=O	782799989	MKHPZWHNZZEFIW-UHFFFAOYSA-N	409.534	3.720	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(OC)cc1OC	791249101	CHARVFUQLIRTCJ-UHFFFAOYSA-N	414.502	3.706	10	20	HHCD	
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)NCc1c(O)ccc2c1CCCC2	799239185	UIASTINENXPNAK-JOCHJYFZSA-N	423.513	3.511	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1	793607389	CZAKUYLKKBXJJW-GOTSBHOMSA-N	423.557	3.528	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1	790071196	GPUAUDHIKPDILB-UHFFFAOYSA-N	403.378	3.561	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(=O)c(OC)co2)cc1	798962368	QOZUKGKGBRBGTL-UHFFFAOYSA-N	408.454	3.570	10	20	HHCD	
C[C@@H](NCCn1cc(Br)cn1)c1cc(Br)c(F)cc1O	797101825	WBZRMKLDVRCTRL-MRVPVSSYSA-N	407.081	3.604	10	20	HHCD	
O=C(NCCc1coc(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	1318177784	RICMMSMAKZQMKO-NRFANRHFSA-N	421.497	3.981	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3nn(-c4ccccc4)cc3OCC)CC2)cc1	1319624184	CWAILBFNOZFFPK-UHFFFAOYSA-N	420.513	3.632	10	20	HHCD	
C[C@@H]1CC[C@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H](n2cncn2)C1	1322179603	YKWKEYZVWWDJPJ-LPWQTFTOSA-N	405.493	3.868	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)CC2CC2)CC1	1826605064	FNZDJVOVKCNWLD-SFHVURJKSA-N	420.937	3.785	10	20	HHCD	
CCc1ccccc1NC(=S)NCCCN1CCN(c2ccc(OC)cc2)CC1	18946305	PHKIBGIQXQSVGA-UHFFFAOYSA-N	412.603	3.756	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C1(c2cccc(Cl)c2)CCOCC1	56199805	ODRYUWGPSYLWTC-UHFFFAOYSA-N	414.933	3.541	10	20	HHCD	
Cc1cc(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)c(C)n1-c1ccccn1	97251041	LVJIKPAXJWPSPM-UHFFFAOYSA-N	420.488	3.617	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccnc1SC(F)(F)F	109037931	SKVJWKSFZMDXEY-UHFFFAOYSA-N	411.449	3.802	10	20	HHCD	
COc1ccc2cc(CN(C)C(=O)CN(C)c3ccc(OC)c(OC)c3)ccc2c1	140301206	MXVRQWMQBGNSAW-UHFFFAOYSA-N	408.498	3.960	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3ccc(Br)c(F)c3)ccc21	195737483	PBTIHGYNKSCCOD-UHFFFAOYSA-N	406.299	3.970	10	20	HHCD	
COc1cccc(CNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1O	237383085	WMDGODILRUZJAB-SFHVURJKSA-N	410.436	3.583	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cc(Br)cnc1Cl	320844285	SGNXRWUASXAYEQ-UHFFFAOYSA-N	416.728	3.899	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC3(N(C)C)Cc4ccccc4C3)ccc21	525030594	FUUZFDGUBVYPFW-UHFFFAOYSA-N	419.569	3.734	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(C(=O)N2CCCCC2)c1	543872700	VETLFJFIVVJACH-UHFFFAOYSA-N	408.502	3.810	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F	726290321	QIUYCYMDGITPQO-UHFFFAOYSA-N	400.834	3.957	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C[C@H](C)c3ccccc3F)CC2)cc1	726768132	NFYHMOROBLQZEN-IBGZPJMESA-N	413.537	3.656	10	20	HHCD	
O=C(CSC[C@H]1CCCCO1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	727382857	PRWKBZZISPCSHU-GOSISDBHSA-N	414.518	3.675	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	727435858	VEIUMCFORJEJCM-OAQYLSRUSA-N	419.928	3.577	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1	728596697	MXQRQPSBZKULNS-UHFFFAOYSA-N	417.500	3.703	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-n3cc(Br)cn3)cc2)c1	728977943	ILGPVARQSYJWIU-GFCCVEGCSA-N	416.275	3.840	10	20	HHCD	
COC(=O)N[C@H](C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(C)C	733555064	FYEYVPUCYLBBEL-IBGZPJMESA-N	412.446	3.964	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	733797679	BPFURWRRSNBAAM-OCCSQVGLSA-N	417.465	3.745	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c1	734014974	PUTAQIUUGBWRJA-UHFFFAOYSA-N	402.454	3.588	10	20	HHCD	
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(N(C)C)cc1C	734687778	ANHBKWWAYOZIOJ-QHCPKHFHSA-N	409.578	3.652	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)c[nH]1	743047018	VFRUHUBCBSJJDX-UHFFFAOYSA-N	419.528	3.924	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(Oc2ccccn2)c1	743883005	FXAOBUIGBGEWMK-UHFFFAOYSA-N	416.481	3.729	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cccc(CN4CCN(C)CC4)c3)cc2)CC1	746238460	ZYPSDLQOFYGKSN-UHFFFAOYSA-N	420.601	3.600	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Br)c1	746833879	IRSZRSUITILEQK-UHFFFAOYSA-N	409.711	3.869	10	20	HHCD	
CC(=O)N[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	748122947	RMKBJTMGZJUQAP-NSHDSACASA-N	411.285	3.651	10	20	HHCD	
COc1ccc(C(C)=O)cc1CC(=O)Nc1c(-c2ccccn2)nc2ccccn12	751307195	GUXAFLDIOCNOIW-UHFFFAOYSA-N	400.438	3.789	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)N(Cc3ccccc3)C3CC3)cs2)cc1	751929991	FMAACCMYPWNHIR-UHFFFAOYSA-N	421.522	3.664	10	20	HHCD	
O=C(CCn1cc(Br)cn1)N(Cc1ccco1)Cc1ccccc1O	752086699	OPMKDHBAFCYWJD-UHFFFAOYSA-N	404.264	3.563	10	20	HHCD	
CCc1noc(CC)c1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	755291528	DQIWTSIRDBCCLX-UHFFFAOYSA-N	407.461	3.729	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3Cn3cnc4ccccc43)ccc21	756695727	UJHGDDQXOZXFJZ-HXUWFJFHSA-N	403.530	3.793	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@H](C)c3cc(Br)ccc3O)C2=O)cc1	756711184	JUOHAJZMEZCWPV-FZKQIMNGSA-N	419.319	3.615	10	20	HHCD	
Cc1ccc(-n2cc(/C=C3\SC(N4CCOCC4)=NC3=O)c(C(C)(C)C)n2)cc1	759122108	WJTPOOBPXGKNBC-AQTBWJFISA-N	410.543	3.781	10	20	HHCD	
COc1cc(N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc(OC)c1OC	759238318	GGFZFJHSODPBKC-UHFFFAOYSA-N	418.921	3.647	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(CCCc3ccccc3Cl)no2)c1	762113158	HGNCQLVIWKOHNE-UHFFFAOYSA-N	407.879	3.642	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(Br)c1	762818565	NBKPRGMLWYUDHK-UHFFFAOYSA-N	414.097	3.975	10	20	HHCD	
CO/C(=C/c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	764351945	MBEQOPKIGCWCSE-DEDYPNTBSA-N	420.431	3.846	10	20	HHCD	
CCc1cc(O)nc(-c2ccc(NCc3cccc(Br)c3O)nc2)n1	764934793	LZQNKPDVHOFFRW-UHFFFAOYSA-N	401.264	3.887	10	20	HHCD	
C[C@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1Cl	765073125	HKBPMYMQVKTVBW-LSDHHAIUSA-N	405.892	3.711	10	20	HHCD	
Cc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1N1CCOC1=O	765296872	HLQLZAJICZJBJI-UHFFFAOYSA-N	420.263	3.741	10	20	HHCD	
C[C@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N2CCCCC2)cc1	765420042	LYXNUBVOHUWPLI-NRFANRHFSA-N	406.574	3.676	10	20	HHCD	
Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cccc(Br)c1O	765767284	ZPNYKWTYNCVFNF-UHFFFAOYSA-N	401.260	3.977	10	20	HHCD	
Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765979455	UGECZGQQNQGTDR-OAHLLOKOSA-N	407.605	3.661	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1	766197546	FIKYFGOMYXGYFQ-XMSQKQJNSA-N	411.521	3.817	10	20	HHCD	
O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1	769208617	MOUAIZZKXFITCD-UHFFFAOYSA-N	403.866	3.514	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)[nH]c(C(=O)OC)c1C	769289356	FUFKRGKOFDHDFK-UHFFFAOYSA-N	409.280	3.549	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(Br)ccc1O	769380352	HTSWZUSGKUUHDV-UHFFFAOYSA-N	414.683	3.689	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC3CCC(O)(c4cccnc4)CC3)cc2)CC1	770406126	RLXAIWNIPIWVMJ-UHFFFAOYSA-N	422.573	3.948	10	20	HHCD	
COC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1	773506421	PGCRHNKKDUNARY-BTYIYWSLSA-N	419.472	3.549	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c3c2CCC3)c(C)c1	773741442	UQNDPGYBIZVAMT-INIZCTEOSA-N	405.498	3.750	10	20	HHCD	
C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCOc2cc(N(C)C)ccc21	774752795	LYQFIFVIMFSHNX-VIFPVBQESA-N	415.362	3.674	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](c3cccc(Br)c3)C2)c1O	774863180	KNKLVVJDASKRHL-INIZCTEOSA-N	423.263	3.645	10	20	HHCD	
C[C@@H](NCC(=O)NCC1(c2ccccc2)CCCC1)c1ccc(N2CCOCC2)cc1	775255856	SRFGYPWFNZNSRO-OAQYLSRUSA-N	421.585	3.802	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@@H](N2CCCCC2)C1	775677565	OHROHTUTILNKQX-CQSZACIVSA-N	418.173	3.977	10	20	HHCD	
CCn1cc(CC(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)c2ccccc21	777828206	JRIIGTFWGUFJGY-UHFFFAOYSA-N	414.889	3.765	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)cc1F	780431606	XNJAANVLGDDNLN-UHFFFAOYSA-N	418.479	3.745	10	20	HHCD	
O=C(Nc1cccc(-n2cccn2)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1	782895413	AJIYEZMRQKSTGC-UHFFFAOYSA-N	418.497	3.878	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1OCC1CC1	783315276	CEIDDJWIGJACAL-UHFFFAOYSA-N	409.530	3.917	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](c3cccs3)C3CC3)cc2)CC1	785793945	ZZGBBHOGDVYCMX-NRFANRHFSA-N	411.571	3.868	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)N(C(N)=O)CC4)c2C)cc1	787708120	ICYBODZZOXZPDE-UHFFFAOYSA-N	404.470	3.796	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(c2ncc3n2CCCC3)CC1	788875853	SAWYKDNNXRBAIJ-UHFFFAOYSA-N	407.562	3.909	10	20	HHCD	
O=C1[C@@H](NCc2cc3c(cc2O)OCO3)CCCN1c1ccc(Cl)cc1Cl	788972677	FWQNDQXORZODLA-AWEZNQCLSA-N	409.269	3.713	10	20	HHCD	
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1F	789896237	SAUMYFPFROEIJC-SNVBAGLBSA-N	412.820	3.617	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc(OCC4CC4)cc3)CC2)cc(OC)c1OC	792175490	VCZMXAVMFAKGOJ-UHFFFAOYSA-N	412.530	3.823	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1	793044678	HWZQONQAIQRQGI-CEMLEFRQSA-N	409.530	3.501	10	20	HHCD	
CCOc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1S(=O)(=O)N(C)C	796402069	LAZLTCZMUAUQAQ-UHFFFAOYSA-N	419.330	3.960	10	20	HHCD	
COCCOC1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1	796651659	RBWLWDCMCSYBCM-UHFFFAOYSA-N	416.484	3.865	10	20	HHCD	
C[C@@H](NC[C@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)c(F)c1	800497760	RERVCUXKNFIYPX-VLIAUNLRSA-N	423.326	3.809	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCC2(c3cccs3)CCCCC2)cc1F	803663918	AQLCNFLLUXLHJA-UHFFFAOYSA-N	417.550	3.588	10	20	HHCD	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807670251	CMKTVEOQPFFKOM-HNNXBMFYSA-N	421.463	3.997	10	20	HHCD	
Cc1cccn(Cc2c(F)cccc2NCc2ccc(N3CCOCC3)cc2)c1=O	808438181	UPHCIQYKYHJIDN-UHFFFAOYSA-N	407.489	3.793	10	20	HHCD	
COc1ccc(Sc2nsc(NC(=O)NCc3cc(OC)ccc3O)n2)cc1	809923841	VSGACPFCKMIGDJ-UHFFFAOYSA-N	418.500	3.734	10	20	HHCD	
CC[C@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C(F)(F)F)cc1O	810217323	AKDVAXBVNIHCJN-YOEHRIQHSA-N	407.436	3.830	10	20	HHCD	
CCn1c(COc2ccc(C)cc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812040319	RUGZWSJZTPDVIJ-UHFFFAOYSA-N	421.545	3.911	10	20	HHCD	
C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)Cc1ccc(N2CCOCC2)cc1	857759057	YTFBZQNEMCAFRP-PMACEKPBSA-N	407.558	3.711	10	20	HHCD	
CCOC(=O)Cc1csc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)n1	875366524	JCCXWCZPHBMWTM-UHFFFAOYSA-N	404.536	3.759	10	20	HHCD	
CN1CCN(c2ccc([C@@H]3N(Cc4ccco4)C(=O)c4ccccc4N3C)cc2)CC1	877845098	CNCYEJPITJBMOY-DEOSSOPVSA-N	416.525	3.822	10	20	HHCD	
COc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2=O)cc1	912997352	PZLGHAUUPBEMHP-FQEVSTJZSA-N	421.541	3.697	10	20	HHCD	
Cn1cnc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1Cl	914577340	UNFKKQBUINCVAH-UHFFFAOYSA-N	408.936	3.877	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3ccc(O)cc3)cc2F)C[C@H](C)O1	917254184	RVRUIVQSNWZLHM-GJZGRUSLSA-N	404.507	3.553	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c(c1)OCCCO2	917659406	XXSUNBLUHFPBSQ-UHFFFAOYSA-N	404.532	3.513	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1	917954471	NQTULAWBWPILFQ-UHFFFAOYSA-N	406.530	3.670	10	20	HHCD	
CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	918006942	UWLZSACIKIFCME-JTHBVZDNSA-N	422.573	3.627	10	20	HHCD	
Cc1cc(C(=O)CN2C=Nc3ccccc3S2(=O)=O)c(C)n1-c1cccc(F)c1	920244280	OWOWATMMSYJVNC-UHFFFAOYSA-N	411.458	3.780	10	20	HHCD	
CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1	920316046	UJGDSKPMUAOGMH-UHFFFAOYSA-N	405.501	3.686	10	20	HHCD	
O=C(NCc1ccccc1O)c1cc(Br)cc(Br)c1O	1358156455	CHFWQDATDUREDE-UHFFFAOYSA-N	401.054	3.553	10	20	HHCD	
COc1ccc(N2CCN(Cn3ccn(-c4cccc(OC)c4)c3=S)CC2)cc1	38398591	NJUWUXREMLIUPK-UHFFFAOYSA-N	410.543	3.805	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC3(c4ccccc4)CC3)cc2F)C[C@H](C)O1	108444417	AIPDELWLCGRMCI-ROUUACIJSA-N	411.521	3.970	10	20	HHCD	
O=C(COc1cccc(NC(=O)C2CC2)c1)NCc1ccc(N2CCCCC2)cc1	116034094	LOVBEXLUUXWOGN-UHFFFAOYSA-N	407.514	3.721	10	20	HHCD	
OCC1CCN(c2ccc(CNc3nn4cc(-c5cccnc5)nc4s3)cc2)CC1	302101677	QCRIYDCOGKZJMJ-UHFFFAOYSA-N	420.542	3.674	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)cc1	303031069	RAGBKNVMVURCDB-UHFFFAOYSA-N	423.479	3.821	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccn(-c3ccccc3)n2)cc1	303154880	SEEMWDLSWUZJRJ-QFIPXVFZSA-N	404.514	3.760	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(NC(=O)CN(C)C)cc3)ccc21	465365287	PMWQDMDROSLSKH-UHFFFAOYSA-N	422.529	3.657	10	20	HHCD	
Cc1c(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)n(C)c2ccccc12	471234508	JFVIJRQPSNFYIZ-FQEVSTJZSA-N	415.493	3.737	10	20	HHCD	
O=C(NCc1ccccc1N1CCOCC1)N(Cc1ccco1)Cc1ccccc1O	726249091	VSOAYLPXKMPWKX-UHFFFAOYSA-N	421.497	3.734	10	20	HHCD	
Cc1ccc(F)c(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1	727215419	OYPVODMMLDARJP-UHFFFAOYSA-N	417.392	3.705	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	727985536	CXOPFRMBKFFEAX-FDDHIGSZSA-N	401.576	3.501	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)c1	728946463	LKPYOGBXHVSFEN-QGZVFWFLSA-N	408.502	3.806	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CSc2ncnc3sc(C)c(C)c23)c1	728981157	USTORWBWXCYNAU-LLVKDONJSA-N	403.529	3.992	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2SCCC(N)=O)cc1F	731755648	HMFNEFAQSBRRDB-UHFFFAOYSA-N	418.538	3.961	10	20	HHCD	
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCCSc1nccs1	733974965	RURCCIBOYNLZGU-LBPRGKRZSA-N	413.565	3.641	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)c1	734015281	FWCGRUJLPOWCHA-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-]	734496895	SSIWTSLUJIVSQK-UHFFFAOYSA-N	403.504	3.618	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1C[C@@H]1c1c(F)cccc1F	734858323	MYPBUDCEHAYBHX-LPHOPBHVSA-N	403.498	3.873	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(-n3cccn3)c2)cc1	735037925	OFSIESFFMCXNIO-QHCPKHFHSA-N	404.514	3.760	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1	737183693	LWYFJXVILUQUSB-SECBINFHSA-N	416.783	3.889	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c1O	737285986	OQMGFZHFOOLHRH-UHFFFAOYSA-N	410.401	3.587	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)CN(C)c1cc(OC)c(OC)c(OC)c1	741798742	KTUVWUPUCMVOQJ-UHFFFAOYSA-N	408.882	3.758	10	20	HHCD	
O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799440	XWJUGDSHZNFXRC-WJXUGBSRSA-N	416.424	3.815	10	20	HHCD	
COc1ccc(-n2nnc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c2C)cc1	743432312	IPBWTYMMOJFCAP-UHFFFAOYSA-N	418.453	3.726	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H](C)Oc3cccc(F)c3)CC2)cc1	743671133	ZHJPMAJLQMTWKT-MRXNPFEDSA-N	401.482	3.570	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCN(CC(F)F)CC1	747317214	SHUJNFSUMXQJLC-UHFFFAOYSA-N	415.444	3.886	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)ccc1F	747859477	YYOOWIQSMLJCFO-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1	748054848	UIDQUTJQADBTLX-UHFFFAOYSA-N	423.966	3.965	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)O[C@@H]3CCCN(c4ccccc4)C3=O)cs2)cc1	751931954	QSLOSHKGTIVRNS-LJQANCHMSA-N	407.495	3.669	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c(C)n1-c1ccccn1	752494986	CDCHUAWNHREUID-INIZCTEOSA-N	401.470	3.954	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1	753339956	ZBEDQNNOEOLACO-UHFFFAOYSA-N	402.394	3.511	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2cnc3c(C)cc(Br)cn23)cc1	753590789	CNFJUWBOTWVVML-UHFFFAOYSA-N	418.291	3.593	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCCCOc3ccc(F)cc3)CC2)cc1F	753822833	BWMSIJPWROWLCI-UHFFFAOYSA-N	419.472	3.664	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c1	755836569	JENMXQKDGMVAFS-AWEZNQCLSA-N	411.433	3.633	10	20	HHCD	
Cc1nc([C@H](C)OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)no1	759552834	XHBPLRNCWWEELK-YWEFTTLKSA-N	423.541	3.725	10	20	HHCD	
Cc1cccc(OC[C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	765314007	KGMUSHCOAZWOII-PKOBYXMFSA-N	404.938	3.576	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccnn1C1CCCC1	765386898	VUZBSFPDGZYOKJ-UHFFFAOYSA-N	404.461	3.998	10	20	HHCD	
C[C@H](NCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1	765908002	AUSWJVOFQKWOAY-AWEZNQCLSA-N	411.365	3.640	10	20	HHCD	
O=S(=O)(NCc1cccc(Br)c1O)c1cc(Cl)ccc1Cl	766208224	XHQZGQYUPHGFRJ-UHFFFAOYSA-N	411.104	3.940	10	20	HHCD	
CCN(Cc1nc(O)c2ccccc2n1)Cc1cc(Br)cc(OC)c1O	768161721	XSGNCDUSWSRKTB-UHFFFAOYSA-N	418.291	3.834	10	20	HHCD	
Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)c1	768289663	BQJLZOVLPSLSFW-UHFFFAOYSA-N	414.441	3.974	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)c1	768911204	PRSVWUXQVKUUJE-SJORKVTESA-N	411.502	3.831	10	20	HHCD	
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1	769722524	OLCXAOIDUGLQGS-NRFANRHFSA-N	402.922	3.896	10	20	HHCD	
CCCCn1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)n1	770223308	REPGYSUGRWQUSI-HZPDHXFCSA-N	402.514	3.674	10	20	HHCD	
O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2CN1Cc1ccccc1O	770509189	JNWWSRRVCGMUFN-QHCPKHFHSA-N	404.485	3.817	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(C4CCC(C)(C)CC4)n3)CC2)cc1	771082601	MINGQZMQRDHXKH-UHFFFAOYSA-N	412.534	3.653	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC(C)(C)COc2ncccc2Br)cc1	772929639	OBMGHGBNUOKVIV-UHFFFAOYSA-N	421.339	3.567	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)c(Cl)cc1O	774140722	SCLSGVKDIZEVCO-QWRGUYRKSA-N	400.258	3.518	10	20	HHCD	
C[C@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(N(C)C)cc1	776237485	ALQGMKBTJZSCKF-INIZCTEOSA-N	420.517	3.848	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]nc1-c1ccc(Cl)s1	778525785	XCILHSWMPCQDMM-UHFFFAOYSA-N	420.897	3.697	10	20	HHCD	
COCc1ccccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1	778661911	SPPGOJKOZSCHQX-UHFFFAOYSA-N	419.484	3.974	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccccc2CS(C)(=O)=O)c1O	779028167	ZXQJHNJXJZCNGS-ZDUSSCGKSA-N	412.349	3.859	10	20	HHCD	
CO[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1	779852316	HNVCWBYYELDGPV-LJQANCHMSA-N	408.420	3.546	10	20	HHCD	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	779981511	RUFMXUHLLAONBJ-ZFWWWQNUSA-N	403.420	3.535	10	20	HHCD	
O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@H]1c1ccccc1C(F)(F)F	781931577	YTVRXAGUNVJSPK-HNNXBMFYSA-N	402.775	3.877	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)OC	784026621	CEPXEBDHSNBBPU-UHFFFAOYSA-N	412.486	3.680	10	20	HHCD	
Cc1cc(C(=O)CN2CCC3(CC2)COC(=O)N3)c(C)n1-c1ccc(F)c(Cl)c1	784459147	JCCZIUHGGBMFDF-UHFFFAOYSA-N	419.884	3.644	10	20	HHCD	
Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCCCSc1nccs1	784735546	BXJGQDCBVHZRRN-UHFFFAOYSA-N	418.569	3.812	10	20	HHCD	
Cc1cnccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	786046637	PCIRDRGOLKAXPX-UHFFFAOYSA-N	406.438	3.608	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc2ccccc2o1	786143666	BHYCYBNVDPWSGX-QFBILLFUSA-N	420.513	3.695	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H](O)c1cc(F)cc(Cl)c1	786972073	FADZGCUEFKAYQJ-IBGZPJMESA-N	423.941	3.565	10	20	HHCD	
Cc1ccc(CN(C[C@@H]2CCCS(=O)(=O)C2)c2ccc3c(c2)OCCO3)s1	792873496	UBPZTWPEFCABMF-INIZCTEOSA-N	407.557	3.659	10	20	HHCD	
CC[C@H](NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(F)cc1O	796684175	QRHZSOPGWDRQTC-FQEVSTJZSA-N	406.523	3.734	10	20	HHCD	
Cc1cc(NCc2cc(Br)cc(Br)c2O)ccc1C(N)=O	798085278	OOFKIQDLAJEDAE-UHFFFAOYSA-N	414.097	3.937	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCC[C@@H](S(C)(=O)=O)CC3)c2C)c1	800457000	FTUOTRIKVOHFMK-OAQYLSRUSA-N	416.587	3.793	10	20	HHCD	
Cc1cc(-c2nnc(N3C[C@@H](C)O[C@]4(CCCOC4)C3)n2C)c(C)n1-c1ccccc1	800742316	GOSKVHBNLUJEDD-HOYKHHGWSA-N	421.545	3.664	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Cl)c4ncccc34)c2)CC1	800899639	RDUJFXLCZMSQLC-UHFFFAOYSA-N	408.889	3.842	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2ccnn2C)ccc1C	802609502	DILBTBZRFQDMBK-UHFFFAOYSA-N	420.513	3.869	10	20	HHCD	
O=C([C@H](O)c1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	802839266	IGNTVJPDCCFFLD-IEBWSBKVSA-N	409.404	3.652	10	20	HHCD	
CC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnc2n1CCCCC2	806918273	XGIHMAZMMDKFQP-CQSZACIVSA-N	412.321	3.967	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807840251	VSDAGKFSALIXHH-KRWDZBQOSA-N	407.269	3.664	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c(O)c1	808362365	MFQXSVPDATVNAC-WKILWMFISA-N	421.538	3.531	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccnc(Cl)c3C)cc2F)CC1	810292964	KASOPYPZCDQQSY-UHFFFAOYSA-N	405.905	3.646	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c([N+](=O)[O-])c1Br	814923471	ISYYYBJAGOPZMN-XWLWVQCSSA-N	412.240	3.756	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCC(=O)C1CCCCC1)c2[N+](=O)[O-]	913224217	PHHCNYQUEWFXFU-UHFFFAOYSA-N	421.405	3.676	10	20	HHCD	
CC(C)Oc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1	917711275	FLSCZYGQAMYTLS-IYBDPMFKSA-N	401.482	3.552	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)cc1	917844692	BFRXOZHIYXZBOY-UHFFFAOYSA-N	413.524	3.812	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2cccnc2OCC(F)(F)F)C2CC2)cc1	918067594	OGMUOTUZWJJCTR-UHFFFAOYSA-N	422.451	3.963	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(Cc1cccc(F)c1)C1CC1	918221609	ZSPRMCYWQLVAOH-UHFFFAOYSA-N	415.484	3.800	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)c1cccc(OC)c1	918224732	VOXLVLFLRMXUHZ-QGZVFWFLSA-N	415.509	3.964	10	20	HHCD	
Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	918439932	YNDVYLKIAOMXOJ-UHFFFAOYSA-N	411.571	3.927	10	20	HHCD	
CCN(CC)C1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	1116176034	QRAAIPAAOXEGPF-KRWDZBQOSA-N	424.536	3.773	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(Cc4ccccc4)c3CC)CC2)cc1	1116419456	KRQLCVWPFTZETC-UHFFFAOYSA-N	418.541	3.855	10	20	HHCD	
Cc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1790251283	IYKLZJSMLBZODJ-UHFFFAOYSA-N	417.465	3.863	10	20	HHCD	
COc1ccc(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl	105545977	ROMIKSCGKPFCOK-UHFFFAOYSA-N	402.922	3.776	10	20	HHCD	
C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1	115952685	YOZFKTZNHGEJCE-HNNXBMFYSA-N	402.441	3.642	10	20	HHCD	
COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCSCC5)ncn4)CC3)c2c1	301378844	YYXUFCYTAHDKPT-UHFFFAOYSA-N	407.543	3.813	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC[C@H]3C[C@H](C)O[C@H](C)C3)cc2F)C[C@H](C)O1	801745852	XGPBKMDXFIEACD-PJVZLEMVSA-N	421.557	3.832	10	20	HHCD	
COC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1F	806130864	DOWCAUYRDZSTQH-OXQOHEQNSA-N	419.928	3.658	10	20	HHCD	
CCS[C@H]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	805025688	UAJCMXKRKNMULZ-SFTDATJTSA-N	417.619	3.672	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)C2CC2)cc1	804682978	PXPMUYNVRWEUPI-QHCPKHFHSA-N	405.542	3.901	10	20	HHCD	
COc1ccc(O)c(CNCc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)c1	802645303	MEGXNSDKPXMOLU-UHFFFAOYSA-N	400.910	3.904	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc(C)c1Cl	807385785	QSEZNZZOLSSROR-UHFFFAOYSA-N	411.683	3.680	10	20	HHCD	
CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805026243	HJKRNLVSWGMUME-SFTDATJTSA-N	417.619	3.720	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)Cn3nnnc3Cc3ccccn3)c2C)c1	804907917	AMXCPXRUWPAZDY-UHFFFAOYSA-N	418.526	3.671	10	20	HHCD	
C[C@@H](NC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1)c1ccc(N(C)C)cc1	812199890	IVDSZTKKVOFTKT-ATZDWAIDSA-N	413.522	3.985	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC[C@@H]21	814176270	OCPIHCUAUWLWPD-DOMZBBRYSA-N	411.886	3.785	10	20	HHCD	
C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)S(=O)(=O)c1ccc(F)cc1	813683464	PUMPLYNWKYJMIL-SNVBAGLBSA-N	420.289	3.707	10	20	HHCD	
CN(C)CCCOc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1	728596917	JTZFCEOTSKRRRP-UHFFFAOYSA-N	410.562	3.617	10	20	HHCD	
O=C(Cc1ccccc1C(F)(F)F)NCc1ccc(N2CCC(CO)CC2)cc1	729523898	XPBZTUSDSAHAKY-UHFFFAOYSA-N	406.448	3.773	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H](C)COCc1ccccc1)c1ccc(N2CCOCC2)cc1	726236460	DKDLNJKGUVDSEK-UXHICEINSA-N	411.546	3.736	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-n2cccn2)cc1	726566261	MANMJMOLZICYAG-UHFFFAOYSA-N	412.440	3.873	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(C(N)=O)cs2)cc1	732114316	BWKYOAMCIKYEQZ-UHFFFAOYSA-N	409.511	3.769	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1	734468233	RJQDYIAJGVVGGD-PXLXIMEGSA-N	403.482	3.741	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CSCc3ccc(F)cc3)cc2F)CC1	730194774	PEYNSMKUTUYNFD-UHFFFAOYSA-N	419.541	3.656	10	20	HHCD	
COc1ccc(OC(F)F)c(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1	733001385	PUHUTVRVNHYLFG-GDNBJRDFSA-N	414.499	3.592	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)c1	917918921	VGXLKAPAOBBZNL-QZTJIDSGSA-N	420.550	3.843	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)CCc3ccco3)cc2F)C[C@@H](C)O1	918187150	WGPIZZHNCLJPCH-ZACQAIPSSA-N	403.498	3.853	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cccc(Oc2ccncc2)c1	749729935	FTRQFBHOEDIVAS-UHFFFAOYSA-N	414.512	3.568	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCCN1Cc1ccccc1	741143960	CSDBMKLWRZVTDD-DEOSSOPVSA-N	407.558	3.536	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2ccccc2)nc1O	917386384	OCHMAQSRQZXGLN-UHFFFAOYSA-N	405.523	3.937	10	20	HHCD	
NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	915040644	DFGNWCNSCLWMNF-UHFFFAOYSA-N	410.455	3.767	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1n[nH]c(/C=C\c2ccccc2)n1	913611332	XUMQQXUABXMZSZ-KAMYIIQDSA-N	407.543	3.792	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCC(=O)c2cccs2)cc1	916565400	CKBFGKATYJSTPL-LJQANCHMSA-N	400.544	3.985	10	20	HHCD	
COC(=O)[C@@H](O)C1CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1	747517365	JLJKIRMTSRECKR-QFIPXVFZSA-N	412.530	3.604	10	20	HHCD	
CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1	752096401	GOTHIOGEVYUGLS-UHFFFAOYSA-N	421.291	3.539	10	20	HHCD	
Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(C)c1ccc(OC(C)C)cc1	759913562	GNDLZALLVTUCSG-UHFFFAOYSA-N	403.910	3.627	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)c1O	750034988	DYRPGMJUWWWXNY-UHFFFAOYSA-N	404.869	3.735	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nc(-c2ccc(Cl)cc2)n1	751692394	LOLGXMJVKRNICJ-UHFFFAOYSA-N	422.916	3.872	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(Cl)ccc3N(C)C)CC2)cc1F	753884029	PQRYAICKBNUNPK-UHFFFAOYSA-N	406.889	3.908	10	20	HHCD	
CSc1ccc(NC(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1	751929819	CVIRXTLARCJNKP-UHFFFAOYSA-N	413.524	3.834	10	20	HHCD	
CCOC(=O)c1cc(Br)ccc1NC(=O)N(C)Cc1ccccc1O	752713343	MXXQXTWHZPNUEQ-UHFFFAOYSA-N	407.264	3.995	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H](c1ccccc1)N1CCCCC1=O	765763483	BRLVJHGKTJTENP-SFHVURJKSA-N	417.303	3.525	10	20	HHCD	
Cc1c([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cnn1-c1ccccc1	765256681	VTYBVLPTNLAWFE-RXVVDRJESA-N	417.557	3.733	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C[C@H](c3ccccc3)N(C)C)cc2F)C[C@@H](C)O1	764382255	NSCSKDPHACZEJE-IEGUWTFLSA-N	413.537	3.749	10	20	HHCD	
COc1cccc(S(C)(=O)=O)c1NNC(=S)Nc1ccc(Cl)cc1Cl	767421871	BYLGIUZNZLUHST-UHFFFAOYSA-N	420.343	3.719	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc([C@@H]2CCCO2)s1	760397894	MYAUQFJFGKSTTO-CJNGLKHVSA-N	423.485	3.995	10	20	HHCD	
COc1ccc(-c2ncc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)s2)cc1OC	768196985	NDUGAEOIWISATM-GFCCVEGCSA-N	414.483	3.600	10	20	HHCD	
Cc1cc(CC(=O)N[C@@H](CCO)C2CCOCC2)c(C)n1-c1ccc(Cl)cc1	764404146	GDZPQWSSZBBRJX-NRFANRHFSA-N	404.938	3.584	10	20	HHCD	
O=C(Cc1ccc(F)cc1Br)NCc1cccc(Br)c1O	765768305	IQMOXYXUNFOKEH-UHFFFAOYSA-N	417.072	3.915	10	20	HHCD	
O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	765212098	XQOHCRRYIJKLAG-MJGOQNOKSA-N	410.297	3.940	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](c1ccccc1)n1cccn1	769292810	UPMSKZFKHYXIQV-IBGZPJMESA-N	414.303	3.989	10	20	HHCD	
CC(C)NC(=O)c1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1	767323688	XTKAAZCQAJQRMJ-UHFFFAOYSA-N	420.557	3.609	10	20	HHCD	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cs1	768848907	MUHOKAOLLJIFRI-UHFFFAOYSA-N	403.413	3.859	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1cc2c(cc1OC(F)F)OCO2	769479511	ISNSDOMEFWCNFP-UHFFFAOYSA-N	424.419	3.624	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(Cl)ccc1OC[C@@H]1CCOC1	777648535	UJHVHSPYQHPSLM-LLVKDONJSA-N	418.298	3.915	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	777971940	PKYRTACBHVHJHP-CYBMUJFWSA-N	408.468	3.865	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(C(F)(F)F)cc1O	776466588	ZYVQIPICMPQISH-UHFFFAOYSA-N	408.420	3.550	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(O)c2O)c2ccccc2)c([N+](=O)[O-])c1	776282066	MZMSYCLCNAUYRW-FQEVSTJZSA-N	422.393	3.851	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1	775370728	PSNKATDRVYHCMY-KSSFIOAISA-N	409.442	3.615	10	20	HHCD	
CCCOc1c(Br)cc(C(=O)NCc2ccc(O)c(O)c2)cc1OC	778917137	YTKJHRQYYJHWDN-UHFFFAOYSA-N	410.264	3.588	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(N(C)C)cc1	773023389	XMQKASOTAGDTFR-LPHOPBHVSA-N	401.551	3.967	10	20	HHCD	
COc1cc(C)c(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1F	775892982	DYZHCIOINIAKEM-UHFFFAOYSA-N	405.445	3.565	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccn(Cc3ccccc3)n2)cc1	772609390	DQTJFUBQOCTCFP-HSZRJFAPSA-N	418.541	3.819	10	20	HHCD	
CC[C@H](CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccc(C)cc1	786263285	WAJBZXMQCUHTKN-JOCHJYFZSA-N	407.558	3.864	10	20	HHCD	
CCN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785100303	RKJGDAKIJBYXMD-MRXNPFEDSA-N	408.380	3.812	10	20	HHCD	
COc1cccc(-c2noc(SCC(=O)NCc3ccc4c(c3)CCCN4C)n2)c1	781083132	QYTBAWIARYKZGH-UHFFFAOYSA-N	424.526	3.536	10	20	HHCD	
Cc1cc(-c2ncccc2NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cs1	782618959	ROINLTXIFBXWNP-UHFFFAOYSA-N	418.522	3.750	10	20	HHCD	
COc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nc1Br	781715796	POVZLFGGYBLCPR-UHFFFAOYSA-N	424.258	3.815	10	20	HHCD	
Cc1c(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cccc1N1CCNC1=O	786309994	BWQKGJRRYVWGRN-UHFFFAOYSA-N	407.518	3.787	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(F)(F)F)n3)cc2)CC1	786314401	PFTKTXYVWHNLKC-UHFFFAOYSA-N	420.435	3.592	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(OC)c(C)cc3C)cc2F)CC1	797677555	WZXGYPHXPLLHQG-UHFFFAOYSA-N	414.525	3.915	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnnn2-c2cccc(F)c2)cc1	790761092	LESADVPYUGUINR-UHFFFAOYSA-N	419.460	3.908	10	20	HHCD	
COc1ccc(Oc2ccc(S(=O)(=O)NCc3ccc(OC)cc3O)cc2)cc1	795362861	RONXXVIMHNJXKC-UHFFFAOYSA-N	415.467	3.680	10	20	HHCD	
Cn1cc(/C=C\C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)cn1	799506841	YUCYXWDZFSWYBP-DJWKRKHSSA-N	415.266	3.963	10	20	HHCD	
CCCN(C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)[C@H]1CCS(=O)(=O)C1	1321467577	OEPKUIUVTBCQGK-KRWDZBQOSA-N	408.951	3.787	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)oc1C1CC1	1337790696	JJSCKEONFUVHHE-UHFFFAOYSA-N	403.482	3.986	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)o1	7746383	VNKVIIXTCLONOJ-AWEZNQCLSA-N	417.417	3.856	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCOC3CCCC3)cc2F)C[C@H](C)O1	61016964	SFYWMENIEWKKKI-IRXDYDNUSA-N	407.530	3.588	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1	303015250	NOBKWTOJLWDFHN-UPVQGACJSA-N	423.557	3.833	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCC(=O)c3ccc(C)s3)cc2F)CC1	303313022	PNTGTCCAMZTCSJ-UHFFFAOYSA-N	417.550	3.617	10	20	HHCD	
O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cnn(Cc2ccc(F)cc2)c1	435909216	YLUXBVWSAKZHQT-SXGWCWSVSA-N	417.400	3.633	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1	806176435	LWLQQHPYDMKCLX-IIBYNOLFSA-N	400.519	3.920	10	20	HHCD	
CCCN(C)[C@H](CNC(=O)NCc1cccc(OC)c1O)c1ccc(Cl)cc1	807411164	IHYKLDGDRVFMBC-GOSISDBHSA-N	405.926	3.937	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccncc1	805737859	FIUBNIFNJACMJB-QFIPXVFZSA-N	420.513	3.537	10	20	HHCD	
CCOc1ccc(O)c(CNc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1	800310929	IQFSIWRAFOSLCT-UHFFFAOYSA-N	410.518	3.584	10	20	HHCD	
CCS[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805026242	HJKRNLVSWGMUME-RTWAWAEBSA-N	417.619	3.720	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(C)(=O)=O)o3)cc2Cl)C1	800049541	QJCQSWGRGKNBGM-ZDUSSCGKSA-N	410.923	3.503	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1	806886768	SYXKTEAPQHFYRP-LLVKDONJSA-N	415.471	3.550	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)cc1)C1CCCCC1	806869440	UDIKMYOYIGWYLJ-UHFFFAOYSA-N	423.557	3.938	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3nc4ccccc4cc3Cl)cc2)C1	810183528	ZTOFLKGFEYFZAW-KRWDZBQOSA-N	422.916	3.520	10	20	HHCD	
Oc1ccc(F)c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1F	816536049	KMJRBGKIXVBLER-UHFFFAOYSA-N	402.363	3.816	10	20	HHCD	
COc1ccc([C@H](O)C2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)cc1	812889140	NHRSCBJHOCTCSV-DEOSSOPVSA-N	421.541	3.727	10	20	HHCD	
COc1ccc(C(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)c(OC)c1	816493918	RRMZVCZVOOGQGE-UHFFFAOYSA-N	406.482	3.521	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)cnc3Br)CC2)cc1	812999368	PXWLGYYJWHIENB-UHFFFAOYSA-N	405.296	3.515	10	20	HHCD	
O=S(=O)(Cc1ccc(C(F)F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	815016700	LZJATCYSCWPBLM-SFHVURJKSA-N	411.470	3.841	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)ccc21	481906000	HFADEZCQCSOOGZ-JOCHJYFZSA-N	405.542	3.909	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)ccc1Cl	811702424	AEJBBOOBENNGPM-UHFFFAOYSA-N	413.879	3.558	10	20	HHCD	
CCOc1cccc2c1OCC(C(=O)NC1CCN(c3ccc(OC)cc3)CC1)=C2	726561683	KZCXDKUFBZKHEO-UHFFFAOYSA-N	408.498	3.655	10	20	HHCD	
CCCN1Cc2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2C1	727616384	WBTFXUJFYOEHCR-UHFFFAOYSA-N	420.557	3.608	10	20	HHCD	
COc1cccc(COCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726567370	ITZMWNXEHOLHPZ-UHFFFAOYSA-N	420.456	3.598	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1O	727762543	PBAOQBRGXUNKHI-LJQANCHMSA-N	418.493	3.723	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cc2)nc1	734703303	MGZKKKONGGQNKD-UHFFFAOYSA-N	418.497	3.812	10	20	HHCD	
Cc1cc(C(=O)Nc2nc(C(N)=O)cs2)c(C)n1-c1ccccc1Br	736180347	QBEKITKWRXVAIE-UHFFFAOYSA-N	419.304	3.664	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4c(N(C)C)ncnc43)c2C)cc1F	731566636	COMJFXOPZWZXSF-UHFFFAOYSA-N	406.465	3.630	10	20	HHCD	
COc1cc(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc(OC)c1OC	731014989	OCGOIPRRTYLKON-UHFFFAOYSA-N	412.530	3.808	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)c1	734073111	DHHKTSVNJCAWON-UHFFFAOYSA-N	416.833	3.624	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(C)n1-c1ccc(F)cc1	918581991	BZXOYAKYIBSCRB-HSZRJFAPSA-N	420.444	3.540	10	20	HHCD	
CCC(CC)[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N1CCCC1	916256587	DYCWYEMRNKMPPD-HSZRJFAPSA-N	416.610	3.565	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3nnc(C(C)(C)C)s3)cc2F)C[C@H](C)O1	918053500	AJXSLHMSSGHKCA-STQMWFEESA-N	421.542	3.910	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1	741175188	AVHVJQFUBOJHEV-FQEVSTJZSA-N	402.583	3.569	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1	744384252	KGSMMLAFOSJYEV-UHFFFAOYSA-N	416.953	3.746	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@H](O)c3ccccc3C(F)(F)F)ccc21	746981349	RYXFQUIJMOROHL-IBGZPJMESA-N	407.436	3.621	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1nc(NCc2ccco2)ncc1Cl	917117880	XKFOGJMEXBSMIJ-UHFFFAOYSA-N	411.893	3.865	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)c3cccc(Cl)c3)CC2)cc1	741891544	AIKSLDWENNQWOH-SFHVURJKSA-N	415.965	3.781	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)C2)cc1	745886974	GJRVOPPCWOUWJZ-JOCHJYFZSA-N	422.573	3.642	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3cc4c(F)cccc4s3)CC2)cc1	742927313	NTLMREXQFSYGOJ-UHFFFAOYSA-N	413.518	3.601	10	20	HHCD	
Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	746778893	RIKUUTSDBGYYHW-UHFFFAOYSA-N	417.509	3.895	10	20	HHCD	
Cc1cc(CCNC(=O)NCc2nncn2-c2ccccc2)c(C)n1-c1ccccc1	916221146	QNEXUPIHRODYBL-UHFFFAOYSA-N	414.513	3.717	10	20	HHCD	
O=C(/C=C/c1nc2ccccc2s1)NCc1ccc(N2CCC(O)CC2)c(F)c1	746010546	LTJGBTZKDKJXOY-BQYQJAHWSA-N	411.502	3.726	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	751386480	GHCWHGGJQDSGFY-ZHRRBRCNSA-N	411.521	3.508	10	20	HHCD	
C[C@H](NC(=O)CCc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)cc1	920880329	FWXZSBADFIRJRO-INIZCTEOSA-N	404.457	3.935	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(Cl)c(Cl)c1O	756415080	KCIKLSRVMGTAEU-CQSZACIVSA-N	422.356	3.937	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1cc([N+](=O)[O-])ccc1OC(F)F	753942933	KMBRSJDZKWJFHE-UHFFFAOYSA-N	404.420	3.957	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3C=Nc4ccccc4S3(=O)=O)c2C)c1	750952508	ULYFMOQONLZGQP-UHFFFAOYSA-N	407.495	3.950	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)c2C)cc1	750131344	HRSURJHOYJRBSJ-HXUWFJFHSA-N	422.525	3.777	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccccc1C(F)(F)F	755202065	DJEWYBJHZKKOEU-UHFFFAOYSA-N	421.463	3.938	10	20	HHCD	
COc1ccc2c(c1)C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)CO2	751402979	ATIGXQMRISZUMJ-OFNKIYASSA-N	424.541	3.520	10	20	HHCD	
CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1ccc(C)c(O)c1O	751534204	VHYXCQYTBLIZSF-UHFFFAOYSA-N	401.850	3.761	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc(C(F)(F)F)c1	753833886	LFFRKFANMVLAOU-UHFFFAOYSA-N	406.404	3.853	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccn(-c2ccccc2Cl)n1	765768226	HUPLQDBETBQVIU-UHFFFAOYSA-N	406.667	3.924	10	20	HHCD	
COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1	767713694	AAEFLIOJXHWUMP-UHFFFAOYSA-N	412.439	3.906	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl	765770633	YRVMIAJIIKMRBL-CQSZACIVSA-N	405.882	3.944	10	20	HHCD	
COc1cc2c(cc1OC)CN(C(=O)CCCNCc1cccc(Cl)c1O)CC2	776174313	MCIHWWVOULCLLL-UHFFFAOYSA-N	418.921	3.518	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nn1[C@@H](C)C1CC1	776833292	PYWZHHYZEWLFFU-ULQDDVLXSA-N	414.525	3.845	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cnn(C3CCCC3)c2C)cc1	772941102	ZXEGQMDUNUGSHM-UHFFFAOYSA-N	411.550	3.750	10	20	HHCD	
O=C(Nc1cccnc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1	770271529	QBSCQAMHJFFSCF-AWEZNQCLSA-N	406.280	3.763	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1C1CCCCC1	776308855	WRHAGDZABDNPKE-UHFFFAOYSA-N	400.498	3.602	10	20	HHCD	
COc1cc(Br)c(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1Cl	776748091	WRXUPRIHNBAUFL-UHFFFAOYSA-N	406.685	3.926	10	20	HHCD	
C[C@H](NC(=O)N1CCC(CC(=O)NC2CCCC2)CC1)c1ccc(N(C)C)cc1	773619542	MRKOPNDQMBEPEN-KRWDZBQOSA-N	400.567	3.684	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cccc(OC[C@H]2CCCO2)c1	771878491	KBMOKTISSMCFPT-GOSISDBHSA-N	416.861	3.572	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)cc1	770821302	XZPGDYSDBOWFCG-RTBURBONSA-N	410.562	3.814	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1	786074887	PCOGRUIJWCRVMQ-IBGZPJMESA-N	405.901	3.675	10	20	HHCD	
CC(=O)N(C)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	782896698	STJCQRSKJMVJBB-UHFFFAOYSA-N	423.513	3.675	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)cc1	789881763	UXTGVJGXHQHGAL-JOCHJYFZSA-N	416.587	3.710	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cn(C(C)C)cn3)c2C)cc1	787523457	GSESVPNRELEEAN-UHFFFAOYSA-N	423.469	3.698	10	20	HHCD	
Cc1ccncc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	783003121	XQZXNSYCOBYWJO-HZPDHXFCSA-N	413.477	3.843	10	20	HHCD	
CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788913262	WMKGFBGVVIGBLL-VWNXMTODSA-N	419.569	3.979	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCC[C@@H]1CCCCO1	780314835	LBKWGWDPWGKQST-BXWAGETQSA-N	424.613	3.805	10	20	HHCD	
Cc1cc(N2CCC(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2)n[nH]1	784661934	FVKXDEBTNKJLMV-UHFFFAOYSA-N	410.566	3.519	10	20	HHCD	
CN(C)c1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1	790160937	WNKNFCMOYZBWBS-XMMPIXPASA-N	409.574	3.959	10	20	HHCD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799972706	OULVHBXKIPYFHC-MOXGXCLJSA-N	409.958	3.570	10	20	HHCD	
CC[C@@H](NCCCSc1nccs1)c1ccc(Cl)c(S(=O)(=O)NC)c1	795794705	AQAKLIVFCXCVFS-CQSZACIVSA-N	420.025	3.928	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1	797749066	VEJDCDRKBOTGLR-UHFFFAOYSA-N	424.791	3.978	10	20	HHCD	
Cc1ccc(NCc2cccc(Br)c2O)cc1S(=O)(=O)NC1CC1	796427173	BNMGBGBAVHNUNJ-UHFFFAOYSA-N	411.321	3.516	10	20	HHCD	
c1ccc(CN2CCc3cc(CNCc4ccc(N5CCOCC5)nc4)ccc32)cc1	796262594	LWBPLXMSBMWUKO-UHFFFAOYSA-N	414.553	3.771	10	20	HHCD	
COCC1(CNCc2c(O)ccc(Cl)c2F)CCN(C(=O)OC(C)(C)C)CC1	790652692	OVFAXHMLCDRLPM-UHFFFAOYSA-N	416.921	3.938	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1O	1324777572	ZTJSAGQFQMOGFP-QGZVFWFLSA-N	419.319	3.558	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(N2CCCCC2=O)cc1	1323929528	MIQCXNIQBDSHSU-IBGZPJMESA-N	424.564	3.945	10	20	HHCD	
Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)cc1	1788427852	YKJICGGHMPZRBJ-UHFFFAOYSA-N	417.465	3.863	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1	8067295	RRWRKAIGYZUIKL-UHFFFAOYSA-N	418.921	3.765	10	20	HHCD	
C[C@@H](OC(=O)Cc1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	10530625	JQSUGUHBGHSVKP-CYBMUJFWSA-N	419.458	3.636	10	20	HHCD	
Cc1cc(C(=O)CCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)s1	27356821	NYXFCAKEAZQBBE-UHFFFAOYSA-N	416.543	3.596	10	20	HHCD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1	56259979	ZYTLHGOQQZOWNU-FQEVSTJZSA-N	408.546	3.964	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c2cnn(Cc3cccs3)c2n1	116151309	SWLQBQQJAAIGEI-UHFFFAOYSA-N	423.517	3.985	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)n(C)c2ccccc12	557935913	YXQPOOFZASZDLC-FQEVSTJZSA-N	409.505	3.626	10	20	HHCD	
CCOc1ccc(CNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c(O)c1	725851568	UIDGZKCDSJSFFI-HXUWFJFHSA-N	424.463	3.973	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1	725865896	ZJBOACMPVJUKPS-UHFFFAOYSA-N	416.566	3.733	10	20	HHCD	
Cc1cc(C(=O)OCCOc2ccc3c(c2)CCC(=O)N3)c(C)n1-c1ccccn1	725922654	VVVVHGYXCVLTPD-UHFFFAOYSA-N	405.454	3.610	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cccc(OCC(F)F)c1	726610394	FBWQDIBQJHLBJO-UHFFFAOYSA-N	421.513	3.883	10	20	HHCD	
COC(=O)c1coc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1	726632725	IZPTXFQSZKXVHY-UHFFFAOYSA-N	424.792	3.852	10	20	HHCD	
COc1ccc2cc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2n1	727595614	KXJSKKPWXQYYDT-UHFFFAOYSA-N	424.476	3.665	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(NC(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1	727599211	AGYSAZMJATWJTJ-UHFFFAOYSA-N	420.557	3.699	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(Cc2ccccc2F)o1	727690526	GXTBPZSOBJDXTI-UHFFFAOYSA-N	414.506	3.616	10	20	HHCD	
COC(=O)CSCc1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1	728695447	ABHOXEWRZPLGFN-UHFFFAOYSA-N	413.543	3.797	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)/C=C/c3ccccc3)ccc21	728762714	YYJISVXEMXJAKS-SDNWHVSQSA-N	412.511	3.635	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2I)c1	729036968	MNBBQDHWUOOFBA-JTQLQIEISA-N	412.227	3.888	10	20	HHCD	
CCCN(C)c1ccc(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1	730194432	HXKHQGPKMPEJJH-UHFFFAOYSA-N	412.553	3.744	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	731015147	JVVKOJDCXCZTGS-UHFFFAOYSA-N	412.446	3.978	10	20	HHCD	
Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)nnn1-c1ccc(F)c(Cl)c1	731167165	MOUJBOCXYISCIK-UHFFFAOYSA-N	413.884	3.681	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3(c4ccc(C)cc4)CCOCC3)CC2)cc1	731986712	PJPPGYHKMSSYCV-UHFFFAOYSA-N	408.542	3.837	10	20	HHCD	
O=C(NCCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1	732229669	VYYZINGHHFKYRI-UHFFFAOYSA-N	414.481	3.634	10	20	HHCD	
CC(C)n1cc([C@H](C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	732822581	FZCFWDAOISNFEV-ZACQAIPSSA-N	417.529	3.777	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](c1ccccc1)C1CCOCC1	734544019	YBOTXCURVZTODU-XMMPIXPASA-N	423.557	3.833	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1	735112766	JFDFOUFVGMMTDO-KRWDZBQOSA-N	418.488	3.741	10	20	HHCD	
O=C(C1CCN(Cc2cc3c(cc2O)OCO3)CC1)N(Cc1ccccc1)C1CC1	741240545	MELSXYHPMXHVPV-UHFFFAOYSA-N	408.498	3.524	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C	742271095	ILSSWQCIQYLLFK-UHFFFAOYSA-N	416.543	3.593	10	20	HHCD	
COC(=O)c1cc(Cl)cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	742279223	SIJGRICUUQEUOE-UHFFFAOYSA-N	424.950	3.792	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C1	742396237	OBCQBBJXONDICX-AWEZNQCLSA-N	420.416	3.510	10	20	HHCD	
Cc1ccc(C)c(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743975202	OCKUVGCUDZVSAZ-INIZCTEOSA-N	417.456	3.629	10	20	HHCD	
Cc1nnc([C@@H](C)OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)o1	744494260	DKUPSDQWUQFXJV-PEHNMLCRSA-N	423.541	3.725	10	20	HHCD	
Cc1noc(C)c1CN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903903	JYDKMHLGFOLKRO-OAHLLOKOSA-N	408.449	3.703	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1	746783884	SEVYMYZIBXPHGH-UHFFFAOYSA-N	400.529	3.535	10	20	HHCD	
O[C@@H](COCc1ccco1)CN(Cc1cccs1)c1ccc2c(c1)OCCO2	749167630	VCKUNCBVZHMVCI-QGZVFWFLSA-N	401.484	3.697	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1	751570875	RCUPSJBFPKETNY-UHFFFAOYSA-N	424.513	3.942	10	20	HHCD	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)n2)cc1C	751589415	RJLQHGSPTHTHKP-HNNXBMFYSA-N	418.544	3.694	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](O)c1c(F)cccc1F	752995133	FBJMNNWIHWDDQI-PZJWPPBQSA-N	401.457	3.652	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC([C@@H]2CCOC2)CC1	753200340	VGVHRYLLFPSUTR-QZTJIDSGSA-N	423.504	3.715	10	20	HHCD	
CC(C)(C)OC(=O)NC1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCC1	753335310	PXWNUTCQXXTVMA-UHFFFAOYSA-N	403.523	3.518	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4Cl)c3)CC2)cc1F	753738741	TXHGUDVIHKSOKN-UHFFFAOYSA-N	414.868	3.636	10	20	HHCD	
COc1ccc(Br)c(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	753738849	MCDMBHMNDXIODG-UHFFFAOYSA-N	423.282	3.568	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1	756380050	SEVOLKZBEZAKLI-UHFFFAOYSA-N	408.590	3.584	10	20	HHCD	
C[C@@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1cc(Cl)ccc1O	756548700	CHHRDTQZWBCAEZ-QAPCUYQASA-N	401.938	3.594	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@]3(C)CCc4ccccc4C3)CC2)cc(OC)c1OC	759239671	OGNKSIWXSQIEKE-VWLOTQADSA-N	424.541	3.556	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCC(C)(C)C3CCCC3)CC2)cc(OC)c1OC	759292204	DYZTXJSKZWFSSE-UHFFFAOYSA-N	419.566	3.760	10	20	HHCD	
COCc1nn(CC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(=O)o1	759718935	REQZZWQYYWTLBT-UHFFFAOYSA-N	410.257	3.580	10	20	HHCD	
Cc1cc(Br)ccc1C(=O)N1CCC(NCc2ccccc2O)CC1	760862925	DKUKXDFXXJSJJY-UHFFFAOYSA-N	403.320	3.858	10	20	HHCD	
COc1cc(Cl)cc(CN2CCC(n3cc(Br)cn3)CC2)c1O	761197373	CXTIDCMCDNYUCC-UHFFFAOYSA-N	400.704	3.850	10	20	HHCD	
Cc1cc(CC(=O)NCCCCN2CCC[C@H]2CO)c(C)n1-c1ccc(Cl)cc1	763071758	RBXYCRMECOBLMA-QFIPXVFZSA-N	417.981	3.643	10	20	HHCD	
Cn1cc(CCNC(=O)NCc2cccc(Br)c2O)c2ccc(F)cc21	764805802	NZPYAJNGOLDSTH-UHFFFAOYSA-N	420.282	3.827	10	20	HHCD	
C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(N2CCCCC2)c(F)c1	765333432	UXIJYGGZUVMRMA-XMSQKQJNSA-N	407.599	3.675	10	20	HHCD	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cccc(Br)c1O	765753736	PPMHLFWYFHPPPV-UHFFFAOYSA-N	408.252	3.571	10	20	HHCD	
Cc1oc2ccccc2c1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	767942448	FMKDHZFLCLAOHH-UHFFFAOYSA-N	411.477	3.841	10	20	HHCD	
Cc1ccc(Cc2nc(C(=O)NCc3ccc(N4CCOCC4)cc3)cs2)cc1	768336963	DPQODGOIENQMDZ-UHFFFAOYSA-N	407.539	3.809	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2oc1=O	768915020	HZARRGBRTOWOIL-KRWDZBQOSA-N	412.873	3.546	10	20	HHCD	
O=C(Nc1ccc(O)cc1)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769232755	NYIICOWCLOUFCY-UHFFFAOYSA-N	405.838	3.510	10	20	HHCD	
O=C(NCc1ccccc1O)NCc1ccc(Cl)cc1I	770442202	QNPICLDZOVJTMM-UHFFFAOYSA-N	416.646	3.650	10	20	HHCD	
CCO[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1	771064067	GYNXHOYLUYMAPC-TZIWHRDSSA-N	402.922	3.904	10	20	HHCD	
COC(=O)[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)c1ccc(OC)c(O)c1	771570551	MTPWAJSCNXYNNN-JOCHJYFZSA-N	422.481	3.761	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)cc1F	773276694	GFHLSDKGVOKJRF-UHFFFAOYSA-N	407.449	3.645	10	20	HHCD	
C[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc2ccccc12	774806951	VCWRKZWYWGHXMB-GOSISDBHSA-N	421.516	3.783	10	20	HHCD	
Cc1cccc(F)c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	775144335	VQJIXBHMLXHMTA-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
CCOC(=O)/C(=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1nccn1C	777468140	OYRFUSADLUHQMV-YVLHZVERSA-N	404.392	3.787	10	20	HHCD	
CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)nn3C)SC2=S)cc1	778245231	GHFDJFCBKFJQSG-JYRVWZFOSA-N	424.345	3.987	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)CC2)cc1	779048618	QWZCAEBGCZTWOO-DYESRHJHSA-N	403.567	3.899	10	20	HHCD	
COC(=O)[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1	779179870	YYWPIUGZHSRGSM-HSZRJFAPSA-N	408.473	3.819	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccnn1Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	779459665	XTMYWMNPTPIBTD-QGZVFWFLSA-N	423.492	3.790	10	20	HHCD	
Cc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c(O)c1O	780967266	FLXJSLSCZIKZSP-SNVBAGLBSA-N	418.247	3.710	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1N1CCCC1	783317187	UXYSFQUUQUWAIN-UHFFFAOYSA-N	408.546	3.729	10	20	HHCD	
COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	786727688	DITDDDCEQJJOPO-SNVBAGLBSA-N	406.287	3.914	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cnc(Br)c(OC)c2)cc1	788134850	HYDISBIKZMNQQV-UHFFFAOYSA-N	406.324	3.971	10	20	HHCD	
C[C@@H](NCCOCC(F)F)c1cc(Br)cc(Br)c1O	788263186	RQZNQDGYXBSLHK-SSDOTTSWSA-N	403.061	3.850	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cn1	790100882	JIQZHSZVPIQXEL-SFQUDFHCSA-N	415.540	3.579	10	20	HHCD	
COCC1(CNCc2ccc(N(C)C)c(F)c2)CCN(C(=O)OC(C)(C)C)CC1	790652691	OTXNSRCCUUQOAX-UHFFFAOYSA-N	409.546	3.645	10	20	HHCD	
Cc1cc(C(=O)CN2CCSC[C@@H]2c2cnn(C)c2)c(C)n1-c1cccc(F)c1	792418669	MXVKVTKGCCGPHG-OAQYLSRUSA-N	412.534	3.940	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(C(=O)OCc2ccccc2)cc1	793198205	AEFXSYLHLIMAGO-UKTHLTGXSA-N	403.434	3.784	10	20	HHCD	
CCOc1cccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)c1	793829096	NKOYPHXGRUAAIR-INIZCTEOSA-N	415.509	3.564	10	20	HHCD	
CC[C@H](NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc(C)cc1O	794829963	WPYZXDCHMCRGRY-UGKGYDQZSA-N	414.521	3.598	10	20	HHCD	
Cn1cc(/C=C/C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)cn1	799506842	YUCYXWDZFSWYBP-GORDUTHDSA-N	415.266	3.963	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCCNC(=O)/C=C/c2ccccc2)C2CC2)cc1	800761719	UWSRTVJABPVFJV-LFIBNONCSA-N	420.557	3.646	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1)c1ccc(N(C)C)cc1	807677595	QYOGEWRCXLHWJZ-RHSMWYFYSA-N	411.468	3.511	10	20	HHCD	
OC[C@H]1C=C[C@@H](N(Cc2ccc(N3CCOCC3)c(F)c2)Cc2cccs2)C1	809768828	XYAWICODERXQDO-RBUKOAKNSA-N	402.535	3.663	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCSC[C@H]1C	812133707	AQPRBWSVRFMYFZ-QGZVFWFLSA-N	411.575	3.941	10	20	HHCD	
Cc1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c(O)c1O	817029858	PPKHPIDWHXXCOT-UHFFFAOYSA-N	412.467	3.600	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	915300682	NRNVLDRQBYHBIX-UHFFFAOYSA-N	421.545	3.995	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	916607804	SUGLOJGNUWLYKA-XZOQPEGZSA-N	423.557	3.747	10	20	HHCD	
CC1CCC(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	917014035	NSDZASPTBLRASB-NRGCRIOASA-N	405.558	3.566	10	20	HHCD	
COc1ccc(CN(C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)C2CC2)cc1	917074343	YMSLXOLWFKJVKT-UHFFFAOYSA-N	407.558	3.917	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC	917076765	DTWGGVUPGQPHKJ-JOCHJYFZSA-N	410.514	3.829	10	20	HHCD	
Cc1c(C)c(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1C	917917402	GJOSWPRSEOMIOB-UHFFFAOYSA-N	420.550	3.683	10	20	HHCD	
Cc1cc(C(=O)O)cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C	917928049	PSQQGPKFVPPEMI-UHFFFAOYSA-N	404.532	3.667	10	20	HHCD	
COC(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)n1	919336617	JBCCLFVNDLNJNW-UHFFFAOYSA-N	420.465	3.932	10	20	HHCD	
CCN1C(=O)/C(=C\c2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])SC1=S	921261340	MNZIEONDODHKRW-LFYBBSHMSA-N	422.406	3.766	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccccc2N2CCN(C)CC2)cc1	1318262813	QPGZKGKCWAHKMY-UHFFFAOYSA-N	423.605	3.626	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cnc3c(cnn3C)c2)nc1-c1cccc(Cl)c1	1320429826	WUBVBMNIAGPVMR-UHFFFAOYSA-N	419.919	3.854	10	20	HHCD	
COC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1793674746	CGGIQUKAODSAHC-JIOQYBSPSA-N	423.557	3.628	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)c2cnccn2)c(C)n1-c1ccc(OC(F)F)cc1	4504243	JPFPQENSBWINMQ-AWEZNQCLSA-N	415.396	3.914	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)n1-c1ccc(F)cc1	10192144	MOTXYOPZVXFWTD-UHFFFAOYSA-N	422.412	3.604	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(C(F)(F)F)cc1	302905092	YXCNNOCTRMRASS-UHFFFAOYSA-N	407.436	3.884	10	20	HHCD	
Cc1[nH]c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1C(=O)OC(C)C	148457424	WAEDPMXVSGVWFW-MRXNPFEDSA-N	413.518	3.524	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C(C)C)CC2)c(C)n1-c1ccc(OC(F)F)cc1	97205741	RHFMLBQORKGAES-UHFFFAOYSA-N	405.489	3.904	10	20	HHCD	
C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	145710875	VUGXGUVVCRNSMQ-HNNXBMFYSA-N	408.420	3.798	10	20	HHCD	
Cc1cc(C(=O)Nc2ccnn2-c2ccccc2C)ccc1NC(=O)C1=S=CC=C1	534681773	PGNBZBPTDQLBSF-UHFFFAOYSA-N	416.506	3.958	10	20	HHCD	
Cc1c(CNC(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)n(C)c2ccccc12	469910389	VMOMLMFACNRBCR-UHFFFAOYSA-N	411.469	3.937	10	20	HHCD	
Cc1ccc(Br)cc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	472793893	PFOJOTOHADYLIE-UHFFFAOYSA-N	414.303	3.813	10	20	HHCD	
CCCCN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccccc1O	801596557	FJXIHVLEOYBBHJ-UHFFFAOYSA-N	413.909	3.867	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC1CC(OC(C)(C)C)C1	809834339	FOSNCYDWUCBDNK-UHFFFAOYSA-N	417.594	3.590	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)c1ccc(F)cc1	804693182	ROAXDPXYLBOELC-UHFFFAOYSA-N	413.537	3.723	10	20	HHCD	
COc1ccc(N2CCN(Cc3c(C)nn(-c4ccccn4)c3Cl)CC2)cc1F	809593822	RCOOXJZNXYJCFL-UHFFFAOYSA-N	415.900	3.699	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@H](C)C(F)(F)F)CC3)ccc21	488483924	HYEZVNHPCUAERW-MRXNPFEDSA-N	411.468	3.613	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)[C@H]3OCCc4sccc43)CC2)cc1	814108985	ZTGLZTZHDHGOSS-YCRPNKLZSA-N	400.544	3.792	10	20	HHCD	
COc1cc(Br)cc(CN2Cc3cnn(-c4ccccc4)c3C2)c1O	816668163	HGVLHZHREQXRKM-UHFFFAOYSA-N	400.276	3.865	10	20	HHCD	
Cc1cc(CCNC(=O)c2nn(C)cc2Br)c(C)n1-c1ccccc1	814393429	OQGJNTZPGOTCGF-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCOc2ccc(Br)cc2)c1	728950919	OPINPFKAUGDGEV-GFCCVEGCSA-N	409.280	3.603	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)SC2=S)cn1	726197567	UUNWWNXHMUTJOM-LGEORROZSA-N	416.572	3.906	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(Cc2cccs2)o1	727268470	MYDGGGNSHRUKGX-UHFFFAOYSA-N	402.545	3.539	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1	729063327	IXEXFVHZADBNRR-LBPRGKRZSA-N	411.483	3.649	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)cc2)CC1	731016000	BAMGFOFHRVVZPU-UHFFFAOYSA-N	416.525	3.509	10	20	HHCD	
O=C(NCCCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1	735927670	XGKATYLVGYGBES-UHFFFAOYSA-N	410.445	3.863	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N(CC)CC)c(F)c2)c1	731345937	MVUNAHFRLREMDI-UHFFFAOYSA-N	421.538	3.754	10	20	HHCD	
CCOC(=O)CCCOC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	733385958	MBWWKBSPNLMGMG-UHFFFAOYSA-N	400.814	3.616	10	20	HHCD	
Cc1cc(C(=O)N(C)CCN2CCCC2=O)c(C)n1-c1ccc(Br)cc1	732974459	FNEIIZDTNURGOI-UHFFFAOYSA-N	418.335	3.551	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc[nH]3)cc2F)C[C@@H](C)O1	734270175	QDBWULNZSJOLDL-ZOCZFRKYSA-N	400.498	3.814	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)cc1F	731364731	YPBVHAYYUAXLIE-UHFFFAOYSA-N	404.442	3.588	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1F	731346693	QDMUMSMQHSCTGM-JOCHJYFZSA-N	413.518	3.917	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1	916503408	RWYNQRWMUNEQJV-UHFFFAOYSA-N	423.538	3.511	10	20	HHCD	
C[C@@H](c1ccccn1)N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	744280029	BKYWTELORDMAFU-ZACQAIPSSA-N	400.498	3.737	10	20	HHCD	
CNC(=O)C1CCC(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	745123629	UGUJRFIAKGKQKQ-UHFFFAOYSA-N	401.938	3.711	10	20	HHCD	
CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	748683691	FBGIHFBLDIMANJ-IRXDYDNUSA-N	424.478	3.774	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2[nH]c3c(c2c1)CCCC3	918138810	VTPKYKVNXIBVEW-UHFFFAOYSA-N	407.489	3.952	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccc(F)c2)cs1)c1cncc(Br)c1	747858928	UEPLGMMCERBRCO-UHFFFAOYSA-N	414.281	3.908	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C12CCC2	745850202	HJADXWYCVNMOQB-ZYSHUDEJSA-N	423.504	3.904	10	20	HHCD	
COc1ccccc1NC(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	748050454	BWAUETDCCQYJSN-UHFFFAOYSA-N	400.450	3.593	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(CN4CCCCC4=O)cc3)CC2)cc1	917822323	UIUQGNWLMZJVNM-UHFFFAOYSA-N	421.541	3.560	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2ccncc2)on1	742805887	PGMPKERMEAAQSI-HNNXBMFYSA-N	414.412	3.737	10	20	HHCD	
COc1cc2c(cc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)O[C@H](C)C2	746345350	LHIVCWJYBQSPEI-MRXNPFEDSA-N	409.530	3.959	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCc2c(O)cccc21	745800669	SUGJBSNSTMVNSH-LJQANCHMSA-N	417.456	3.949	10	20	HHCD	
O=C(NCCCc1ccc(O)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745830963	DKNMZAGWSVXCLX-QGZVFWFLSA-N	419.472	3.894	10	20	HHCD	
CCCc1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1	741907301	ROCLTPVEGWWEEE-UHFFFAOYSA-N	413.465	3.881	10	20	HHCD	
CC(C)Cn1ncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C(F)F	759221650	LTHDVBCHULYYRZ-UHFFFAOYSA-N	424.467	3.507	10	20	HHCD	
COc1ccc2cccc(CC(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c2c1	754303853	AWVHKZHZSSBKAJ-UHFFFAOYSA-N	420.509	3.659	10	20	HHCD	
CC(C)n1nnnc1-c1ccccc1NC(=O)NCc1ccc2c(c1)CCCN2C	753041274	DSTUOWNUNPACCO-UHFFFAOYSA-N	405.506	3.625	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCNc3cc(Cl)ccc3OC)CC2)cc1F	753741243	FIBNHUZRPKFSIL-UHFFFAOYSA-N	421.900	3.647	10	20	HHCD	
Cc1cccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)[nH]2)c1	757008518	MDFBUNOMDCDGEA-UHFFFAOYSA-N	418.541	3.832	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2csc(NC3CC3)n2)cc1	757766589	BMPPFYFCFBUJJG-GOSISDBHSA-N	400.548	3.605	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1Cc2cccc(O)c2C1	759457806	BHYJCUAINTUFSS-OAHLLOKOSA-N	405.292	3.559	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(-c2ccc(Br)cc2)cn1	755440903	OLKNYLOSIBADNC-UHFFFAOYSA-N	413.319	3.973	10	20	HHCD	
Cc1cc(C)n(Cc2cccc(C(=O)NCc3cccc(Br)c3O)c2)n1	765735034	CLMFTIZVHNQDBB-UHFFFAOYSA-N	414.303	3.946	10	20	HHCD	
O=C(NCCc1ccc(OC(F)F)cc1)NCc1cccc(Br)c1O	764758027	QIMLHTUVUUOITP-UHFFFAOYSA-N	415.234	3.798	10	20	HHCD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	765001269	LPJHTTSPDCOIRY-MJGOQNOKSA-N	411.502	3.878	10	20	HHCD	
COc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(OC)c1OC	765103363	OKVGAWZVZOYGCM-OAHLLOKOSA-N	404.482	3.539	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)c2C)c1	765356304	ZEDDZYKPPHVNEB-CPJSRVTESA-N	422.617	3.809	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@@](=O)C[C@H](C)C2)c(C)n1-c1ccc(F)c(Cl)c1	763859621	XTXHPQFPOJGIRZ-PFUSGODGSA-N	410.942	3.770	10	20	HHCD	
CCOc1ccc(CNCc2ccc(Br)cc2N2CCOCC2)c(O)c1	769928501	RZLKPWQEOROBKI-UHFFFAOYSA-N	421.335	3.680	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1	773767767	OJOKYLUYAAGSBO-OAHLLOKOSA-N	406.523	3.572	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCCOc2ncc(C(F)(F)F)cc2Cl)c1O	775025150	TWBMULLOPPEQPZ-UHFFFAOYSA-N	421.759	3.545	10	20	HHCD	
CCOc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1O[C@H](C)C(=O)N(C)C	775365659	VRVSPCOSKDSWMH-QZTJIDSGSA-N	413.562	3.858	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1	778559443	RDNMPSYWFNTOAR-UHFFFAOYSA-N	402.878	3.964	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@@H]2CCCc3c2cnn3C)NC(=O)OC(C)(C)C)cc1	777302401	OVIXKXXTJMINGO-UXHICEINSA-N	413.566	3.719	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C(F)(F)F)c1	789837095	QADQENCUDRYLFM-JTQLQIEISA-N	411.380	3.828	10	20	HHCD	
CC(C)Oc1cc(Br)cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1	783962008	JMQCPTSZKHCQEY-UHFFFAOYSA-N	409.232	3.687	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(OC)c(Br)c(OC)c2)c(O)c1	797640626	QBGPXFSLNKMFBN-UHFFFAOYSA-N	411.252	3.502	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCN3C3CCCCC3)CC2)cc1	798104504	GOFKURAATQMLOC-QFIPXVFZSA-N	414.594	3.760	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(OC)cc(-n4cccn4)c3)CC2)cc1	791968351	FKPSGUAJNQOTIY-UHFFFAOYSA-N	421.501	3.634	10	20	HHCD	
O=C(Nc1ccnc(Cc2ccccc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	1325187102	HRYNJQZMBGRWRC-HXUWFJFHSA-N	418.497	3.986	10	20	HHCD	
CCOC(=O)c1ccn(-c2cccc(CNCc3ccc(N4CCCC4)cc3)c2)n1	1325735935	ZZWGCVHAHWJBJP-UHFFFAOYSA-N	404.514	3.939	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@H](c4ccccc4Cl)C3)cc2F)CC1	1341568237	RVVJYIIFVZCAGK-QFIPXVFZSA-N	403.929	3.804	10	20	HHCD	
O=[N+]([O-])c1cnc(NCc2ccc(N3CCSCC3)cc2)c(Br)c1	301506809	BNXWDQDIZZMVNC-UHFFFAOYSA-N	409.309	3.918	10	20	HHCD	
CCN1CCN(c2ccc(CNc3cc(OC)c([N+](=O)[O-])cc3F)cc2F)CC1	301937581	TVDDPLSHWFPXBX-UHFFFAOYSA-N	406.433	3.636	10	20	HHCD	
C[C@H](NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1	726709440	VLSMWGQSHDGKED-CDNPAEQRSA-N	409.530	3.804	10	20	HHCD	
COc1cccc([C@H](CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)N2CCCC2)c1	729044228	JQNNGAPZKYNEFY-KKSFZXQISA-N	413.518	3.607	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H](n3ccnc3)C2)c(C)n1-c1ccc2c(c1)OCCO2	729265822	OASSRLVLPZBVGR-FQEVSTJZSA-N	420.513	3.582	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3cccc4cccnc34)cc2F)CC1	730122369	FQDKNILHUIWULR-UHFFFAOYSA-N	421.520	3.515	10	20	HHCD	
CC[C@@H]1CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	735310723	CTCVVYLSNSZPQZ-CEXWTWQISA-N	405.558	3.568	10	20	HHCD	
CCN(CC)c1ccc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1F	740003243	WBJBKRSTNOEFTM-HXUWFJFHSA-N	424.480	3.680	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)cc1F	740923959	QYTFHLOUPUEETF-UHFFFAOYSA-N	403.454	3.874	10	20	HHCD	
CN(C)Cc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	741282833	QPSSRASEFSHOBI-UHFFFAOYSA-N	403.473	3.748	10	20	HHCD	
C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	742689038	CPUFGDBKRZYDMP-KRWDZBQOSA-N	412.505	3.560	10	20	HHCD	
Cc1nc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccn12	742805583	MHMHCXIIVAGXBT-OAHLLOKOSA-N	400.429	3.643	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)Cc1cccs1	743650006	WIQUSPYRXDKSLR-QGZVFWFLSA-N	401.576	3.635	10	20	HHCD	
CCc1nsc(N2CCCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2)n1	743804894	ZGMCEWNCBSSCSG-UHFFFAOYSA-N	415.588	3.922	10	20	HHCD	
CCc1ccc([C@H](COC)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1	745846982	KAIABTNAOCPNIT-MOPGFXCFSA-N	402.491	3.626	10	20	HHCD	
Cc1noc(C)c1CN(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903901	JYDKMHLGFOLKRO-HNNXBMFYSA-N	408.449	3.703	10	20	HHCD	
C[C@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2ccccc2N(Cc2ccccc2)C1=O	750868111	TUKZPOPOTAJQFC-SQVRQVGWSA-N	400.482	3.649	10	20	HHCD	
CC(=O)c1cccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	751060568	YJYQVFBUNDOYDJ-UHFFFAOYSA-N	416.480	3.709	10	20	HHCD	
CC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	751121463	UGRDXWBKJYJCIW-QGZVFWFLSA-N	423.918	3.618	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)OC)oc3C)n2)s1	754692705	ADLULVIUQMRUKP-UHFFFAOYSA-N	412.514	3.923	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N(C)C)cc2)c(=O)oc2ccc(Br)cc12	755059809	JNQWTIFYOYOBLZ-UHFFFAOYSA-N	415.287	3.860	10	20	HHCD	
COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2cc3ccccc3o2)cs1	755735984	FRNXNCDOITVBKB-UHFFFAOYSA-N	421.481	3.600	10	20	HHCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1	756430789	LDOPDZPHQGTDTP-ZWKOTPCHSA-N	402.560	3.972	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2)cs1	757552137	PZRJOZDQRIVNOY-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc(OCC(F)F)n2)cc1	760447260	SALOAHUNGUVYMT-UHFFFAOYSA-N	417.378	3.996	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](CO)COC(C)C)c(C)n1-c1ccccc1Br	762565448	WLDIHCDNIZTWCQ-INIZCTEOSA-N	423.351	3.715	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCCCC2)cc1	764944210	CRLGJEFAUVYRID-OAQYLSRUSA-N	420.601	3.915	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1I	765281498	HADFNJRJXFGMAM-HNNXBMFYSA-N	422.310	3.979	10	20	HHCD	
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(N=Nc2ccccc2)cc1	765643078	YIGTYNXPLKGQBN-UHFFFAOYSA-N	420.450	3.885	10	20	HHCD	
O=c1c2nn(-c3ccccc3)cc2cnn1CN1CCCc2cc(OC(F)F)ccc21	766350735	HMSZKWRGOXCHRO-UHFFFAOYSA-N	423.423	3.594	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1	769245162	CZDKOCSTUJYFGO-UHFFFAOYSA-N	411.502	3.920	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)CCC(=O)c1ccc(I)cc1	769283309	SUBGLPOHWICKPQ-UHFFFAOYSA-N	423.250	3.618	10	20	HHCD	
Cc1cc2c(N3CCC[C@H]3C(=O)NCc3c(O)ccc4c3CCCC4)ncnc2s1	771025763	RJOZDUMYQPLHHX-IBGZPJMESA-N	422.554	3.869	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(C)nc3Br)CC2)cc1	771500928	GPCOJGUUSAAKCQ-UHFFFAOYSA-N	419.323	3.905	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	772955972	UJDACSISLDFZBN-IBGZPJMESA-N	415.603	3.894	10	20	HHCD	
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773083297	FDILOWOSVRJOAN-KRWDZBQOSA-N	417.575	3.664	10	20	HHCD	
Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1	775732948	CFRJWOAQLJURQY-QHCPKHFHSA-N	403.574	3.761	10	20	HHCD	
CCSc1cc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)ccn1	777708114	AXWOZYDNNUOPPL-UHFFFAOYSA-N	400.548	3.624	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(O)c(O)c1	779476218	YTZXQCJSTZNZRK-CSKARUKUSA-N	408.376	3.617	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)c(Br)c3)c2)CC1	781046303	CEXDWBFMKOIREH-UHFFFAOYSA-N	420.282	3.509	10	20	HHCD	
COc1ccc2cc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)ccc2n1	783316169	LJQVAVGDERHHAH-UHFFFAOYSA-N	420.513	3.685	10	20	HHCD	
CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	786659747	NFJWHSYLGTYWSH-QFIPXVFZSA-N	411.571	3.542	10	20	HHCD	
CCc1csc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1	789387288	GJLCCPXXUKRASC-UHFFFAOYSA-N	412.515	3.532	10	20	HHCD	
CN1CCC(Oc2ccc(CNCc3cccc(Br)c3O)cc2)CC1	790636492	POAUVIFGYATAQR-UHFFFAOYSA-N	405.336	3.918	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl)c1ccc(N2CCOCC2)cc1	790692004	VFZBCLKXWBXYBW-POZUXBRTSA-N	412.361	3.810	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	792703218	QLPAUXYWXMFSOU-UHFFFAOYSA-N	408.379	3.842	10	20	HHCD	
CCNC(=O)C(C)(C)CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799959550	PSRLHACWCRMLGU-HNNXBMFYSA-N	408.974	3.538	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H](CO)Cc3ccco3)cc2Cl)C1	800719796	NQJQZORCVCDKNC-SJLPKXTDSA-N	419.953	3.820	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1nc(-c2ccccc2)cs1	801158081	DTNXLXDDQDKIHT-UHFFFAOYSA-N	407.539	3.949	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Cl)cc1F	806580305	AYPASTPMFJZCMK-HNNXBMFYSA-N	418.900	3.811	10	20	HHCD	
COc1ccc(C2=NO[C@H](CNC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)cc1	807213792	JTNLMBSQFJJHNU-HNNXBMFYSA-N	424.284	3.700	10	20	HHCD	
CCCNC(=O)OC[C@@H]1CCCCN1Cc1cc(Br)cc(OC)c1O	809726534	PZUIKTQPJZYHBZ-HNNXBMFYSA-N	415.328	3.654	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(Cl)ncc3Br)CC2)cc1	810180972	RTXYRZICLYDFHO-UHFFFAOYSA-N	424.726	3.859	10	20	HHCD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	815860219	BECRZCXFYKMLEL-FXAWDEMLSA-N	405.498	3.722	10	20	HHCD	
COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1ccc2ccccc2c1O	816525652	CROFBHWPTRDOPS-UHFFFAOYSA-N	405.498	3.554	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)n2)cc1	906373545	XQELJKYEUHXHGV-UHFFFAOYSA-N	422.553	3.577	10	20	HHCD	
Cc1cc(CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1	914577202	OAELPYMXJPTOBT-UHFFFAOYSA-N	413.499	3.664	10	20	HHCD	
C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@@H]1C[C@H]2CC[C@H]1C2	916828513	BXVVLQCBRYVVDJ-MNUAXYBXSA-N	418.449	3.925	10	20	HHCD	
Cc1cccc(N2C[C@@H](C(=O)NCc3ccc(N4CCSCC4)cc3)CC2=O)c1C	917385586	CBBOKYNCWLPYLM-FQEVSTJZSA-N	423.582	3.526	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)Cc1ccccc1-2	917760689	HYUSPZHYIDHKGJ-UHFFFAOYSA-N	406.507	3.895	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1	1318522017	DKFNCXHNKBVHGJ-QFIPXVFZSA-N	406.530	3.719	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccc(F)c(F)c3)cc2F)CC1	1323164804	QOEFCEQMBAJZEY-HNNXBMFYSA-N	405.464	3.666	10	20	HHCD	
CN(C)c1ccc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc1	6366474	SWCLTEIRURXBQG-UHFFFAOYSA-N	413.521	3.769	10	20	HHCD	
CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)s1	17230644	XWJUBLREGCOXBB-UHFFFAOYSA-N	424.522	3.874	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c2C)cc1	27091958	CWNCWJOKPZPMNA-UHFFFAOYSA-N	417.509	3.701	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(N2CCOC2=O)c1	65991299	GYHMKXBLFXBGJU-QGZVFWFLSA-N	408.502	3.804	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2=NO[C@@H](c3ccccc3)C2)cc1	116539406	BVOPTYKQPYNTHV-FYYLOGMGSA-N	407.514	3.778	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(N2CCOC2=O)c1	143278652	GYHMKXBLFXBGJU-KRWDZBQOSA-N	408.502	3.804	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1	542023915	SNAOCOCPAUOBRS-KRWDZBQOSA-N	415.465	3.880	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3COc4c(cccc4OC)C3)ccc21	590676151	JFVMAQDIEZINEB-LJQANCHMSA-N	408.498	3.647	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)c(C)n1-c1cccc(Br)c1	725891193	SNDMTSDMKBVXQZ-INIZCTEOSA-N	402.336	3.823	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCC(=O)N2CCc3ccccc3C2)c1C	726561129	ZKSPYXKPVHFHRP-UHFFFAOYSA-N	401.510	3.717	10	20	HHCD	
COCCCOc1ccccc1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726697158	IPLGOOLXQDJFQZ-UHFFFAOYSA-N	413.518	3.901	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c1	726796982	MUQWUQRBHRITOC-QFIPXVFZSA-N	402.450	3.988	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cc(C)ccc2C)nc1-c1ccccc1	727249690	GFVNIHHDPQWMSB-UHFFFAOYSA-N	416.524	3.943	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](CNC(=O)C(C)C)C3)cc2)CC1	731120762	BMFNLTYYAWOKFP-OAQYLSRUSA-N	414.594	3.617	10	20	HHCD	
Cc1cc(C(=O)Cn2nnnc2-c2ccccn2)c(C)n1-c1ccc(OC(F)F)cc1	731836494	IDMFRAUGFCTIDE-UHFFFAOYSA-N	424.411	3.627	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C[C@@H](C)C(=O)c3ccccc3)cc2F)C[C@@H](C)O1	732758450	MYBCJKFVUOVXNG-KURKYZTESA-N	412.505	3.965	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1COc1ccccc1	734701538	DGGKFZZRMHGGLQ-UHFFFAOYSA-N	417.509	3.895	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@@H](c4ccccc4OC)C3)CC2)cc1	739005276	OPMXRKZZBZZCAP-GOSISDBHSA-N	409.530	3.872	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(Cl)c1	740848162	NTTOYZAAXNDORD-WMZOPIPTSA-N	408.951	3.833	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2ccccc2c(O)n1	742800412	JTBMJVZVVQZMQA-OAHLLOKOSA-N	413.424	3.941	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1	743078493	JZJOJSRXQBDFSD-UHFFFAOYSA-N	419.547	3.913	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccn(Cc4ccccn4)n3)cc2)CC1	743168312	AJGYOERDWQUJPT-UHFFFAOYSA-N	404.518	3.884	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Oc1ccccc1Cl	743552967	BNGSOKVFQAHPRP-OAHLLOKOSA-N	421.900	3.582	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c(C)n1-c1ccc(Br)cc1	749184306	FBTPPJDETJEQKK-SJLPKXTDSA-N	418.335	3.631	10	20	HHCD	
Cc1ccc([C@H](C)NC(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1C	751931849	UGEOTOJHBWTBHG-INIZCTEOSA-N	423.538	3.967	10	20	HHCD	
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1	752151652	KAMHWDRUPDWIKV-NQIIRXRSSA-N	422.447	3.793	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1	753384196	OALYOAUKZOXBNQ-QHCPKHFHSA-N	418.582	3.931	10	20	HHCD	
CCc1cnc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1	756101551	VHEXTULKJQGXLG-UHFFFAOYSA-N	400.548	3.729	10	20	HHCD	
Cc1nc(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)sc1C	756337536	SNGUWLPYRZMIJY-UHFFFAOYSA-N	422.418	3.801	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1	756433509	PAURIZRAGZBPDT-AWEZNQCLSA-N	404.457	3.772	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc2c(cc1O)CCCC2	756442856	RARWBIXWVBVKEM-LAUBAEHRSA-N	407.558	3.824	10	20	HHCD	
O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccc(N=Nc2ccccc2)cc1	756808162	ANPRPGYPGBYMFP-SFHVURJKSA-N	423.502	3.998	10	20	HHCD	
C[C@H]1C[C@H](Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c2c(O)ccc(F)c21	757626478	AGISSQUAKLRYFL-WFASDCNBSA-N	401.463	3.781	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)cc(F)c1O	757654922	DEISHKIDVJOWHZ-SJKOYZFVSA-N	422.298	3.531	10	20	HHCD	
CCn1cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c(=O)c2cc(Cl)ccc21	758057394	VDGCZICJPJQXHU-GFCCVEGCSA-N	400.862	3.880	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)c2C)c1	758291338	HKXRRJURNOTCPY-UHFFFAOYSA-N	422.550	3.971	10	20	HHCD	
O=C(OCc1nnnn1CC(F)(F)F)c1ccccc1N=Nc1ccc(O)cc1	758359855	DFVRQXSOKVMZIC-UHFFFAOYSA-N	406.324	3.713	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCc3cccc(OC(C)(C)C)n3)CC2)cc1	758465677	BAVKFGQZRXNGHQ-UHFFFAOYSA-N	411.546	3.985	10	20	HHCD	
CN(c1ccc(CNC(=O)NC2CCN(c3cccnn3)CC2)cc1)C1CCCCC1	758530689	VPRWUSMULVFWAZ-UHFFFAOYSA-N	422.577	3.714	10	20	HHCD	
C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	758543028	FIQXXCSFHXEKRN-FUHWJXTLSA-N	424.536	3.629	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)NCc2ccccc2CN2CCOCC2)s1	759719359	VXFUSDYLNMDJRG-UHFFFAOYSA-N	419.616	3.681	10	20	HHCD	
COc1cc(Cl)cc(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1O	761194753	HHTCMVYSNKTARQ-UHFFFAOYSA-N	413.276	3.805	10	20	HHCD	
CC1CCN(C2CCC(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)CC2)CC1	761699230	UEPKVDYJZPMTMW-UHFFFAOYSA-N	419.953	3.853	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1	764808518	YDDQTODCUVSPGI-CQSZACIVSA-N	424.726	3.886	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H](c3ccc(C)cc3)N3CCOCC3)CC2)cc1	765237547	FDMHNDUZBXKORR-VWLOTQADSA-N	409.574	3.636	10	20	HHCD	
CC(C)[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)NC(=O)OC(C)(C)C	766028027	RZTUOZMHVWUBHG-VQIMIIECSA-N	409.546	3.862	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nnn(Cc3ccc(F)cc3)c2C)cc1	766375737	WPJUQULYHYHTRF-UHFFFAOYSA-N	409.509	3.892	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1	766557220	ZHNUHEBRCMUKIK-HNNXBMFYSA-N	403.320	3.706	10	20	HHCD	
Cc1cc(F)ccc1-n1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nn1	767205670	DXTPFTNYGPSMND-UHFFFAOYSA-N	407.493	3.977	10	20	HHCD	
CC(C)(C)OC(=O)NCC1(CC(=O)NCCc2ccc(O)c(O)c2)CCCCC1	768286545	NBQLCZRBPADFQA-UHFFFAOYSA-N	406.523	3.622	10	20	HHCD	
O=C(COC(=O)[C@@H](F)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	769164602	GNFBRYDOXZUWMJ-NRFANRHFSA-N	417.392	3.655	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c1C	769310850	CACLJZZRJGNUCN-BJKOFHAPSA-N	409.574	3.900	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC(n3cc(Br)cn3)CC2)c1O	769400410	UHMUJLIEJLHRTI-UHFFFAOYSA-N	415.675	3.750	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cn1	769667630	QFEHSYVWZIXXKM-UHFFFAOYSA-N	417.512	3.916	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC3(CC2)CNC(=O)C3)cc1	772706289	LMZSHCLWYGDZGP-UHFFFAOYSA-N	405.502	3.910	10	20	HHCD	
COc1cc(OC)cc(OCCCN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	773041065	GLGYRCYJZUILAS-KRWDZBQOSA-N	418.509	3.799	10	20	HHCD	
CCOc1c(Br)cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC	773768046	BAACHQXQIIXMMO-NSHDSACASA-N	424.291	3.629	10	20	HHCD	
O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(N3CCSCC3)cc2)n1	774131835	OQGQLWMWBJKLFX-OALUTQOASA-N	401.536	3.618	10	20	HHCD	
C[C@H]1CN(C(=O)COC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C[C@@H](C)O1	775234789	LQDQVHBNGHLYLJ-CALCHBBNSA-N	424.501	3.961	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccc(N(C)C)cc1	775476568	DIXWTUQYZVDPSY-QGZVFWFLSA-N	410.518	3.637	10	20	HHCD	
Cc1cc(Br)cc(S(=O)(=O)NCCCSc2nccs2)c1	780777725	UCMWQZNAJQSYOU-UHFFFAOYSA-N	407.380	3.675	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CCO)c1ccccc1Br	781939063	GZLMUKPPNOITKI-IBGZPJMESA-N	420.351	3.746	10	20	HHCD	
O=C(CCc1cc(Cl)ccc1Br)OCC(=O)c1ccc(O)c(O)c1	784045826	YMLYEGLMNKRPQZ-UHFFFAOYSA-N	413.651	3.872	10	20	HHCD	
O=C(CCCC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc(O)c(O)c1	785033586	ZKJPDGKBVFIAAV-UHFFFAOYSA-N	421.243	3.639	10	20	HHCD	
Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)c1	785295494	IJQRFICUYMDHRH-INIZCTEOSA-N	420.465	3.884	10	20	HHCD	
CCC1(CC)Oc2ccc(NC(=O)C(=O)N[C@H](C)c3cc(OC)ccc3O)cc2O1	787884686	WYNRANSPYUIGEK-CYBMUJFWSA-N	414.458	3.504	10	20	HHCD	
Cc1cc(C)c(N2CC[C@@H](N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)c(C)c1	788803621	IDGWWXRJGHQULK-NFBKMPQASA-N	407.558	3.905	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCOCC(F)(F)C(F)F	790773518	YYLSKIMMGWARLA-UHFFFAOYSA-N	416.209	3.810	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(-c2ccc(C)o2)[nH]n1	791246607	OZJKFIFATUNJKZ-UHFFFAOYSA-N	424.501	3.980	10	20	HHCD	
COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1SC	792703016	NVTROCJQMIJMFJ-LLVKDONJSA-N	417.936	3.982	10	20	HHCD	
O=C(NCc1cnc2n1CCCC2)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	793108546	MYMBKGADCUMQAC-UHFFFAOYSA-N	402.458	3.890	10	20	HHCD	
CCN(CC)CCOc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	797625133	MNLPFQJTGFYRNT-INIZCTEOSA-N	401.507	3.571	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1	797647504	GRNQNGARJJWPDI-GFCCVEGCSA-N	418.856	3.888	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(OCC(=O)NC)cc2C)cc1	797679929	PXNWLVWHBIFJNK-UHFFFAOYSA-N	412.534	3.630	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1	801968861	YJTDQCJPMKFMNJ-QFIPXVFZSA-N	411.546	3.777	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1	806846131	DLUWRCLYSURBNY-UHFFFAOYSA-N	412.490	3.612	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H]1[C@H]1CCCO1	806878837	XOZASQHTSRLYKM-ATZDWAIDSA-N	409.477	3.610	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ccco1)c1ccccc1OC	808778745	FYDAZDZQHMAEBY-QFIPXVFZSA-N	422.481	3.638	10	20	HHCD	
COc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)ccn1	808909648	GDIJIFLJKTVTCL-SDNWHVSQSA-N	419.553	3.772	10	20	HHCD	
CON(C)C(=O)C1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	812292869	MCIBMYFOXDAXPP-UHFFFAOYSA-N	407.308	3.540	10	20	HHCD	
CCOC(=O)CN1C(=O)C(F)(F)c2cc(NCc3cc(Cl)ccc3O)ccc21	815142994	GXZORNFHGLPRLV-UHFFFAOYSA-N	410.804	3.659	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC12CCC2	816856787	PBRFDPLWVXYCNP-IOBAAEILSA-N	402.491	3.549	10	20	HHCD	
CN(C)CCc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1	816901609	RUYWUXUVWROEDM-UHFFFAOYSA-N	406.574	3.575	10	20	HHCD	
O=C(CSCc1ccc(Br)cc1)OCC(=O)c1ccc(O)c(O)c1	916619406	NRFAPFBOBPLEKP-UHFFFAOYSA-N	411.273	3.520	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3nc(C(F)(F)F)[nH]c4ncnc3-4)cc2F)C[C@H](C)O1	917086489	KUOXFHUICGPWOX-QWRGUYRKSA-N	424.402	3.688	10	20	HHCD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	920495744	AMBLGDKVVQQXEC-MAUKXSAKSA-N	416.499	3.989	10	20	HHCD	
CCCCO[C@H](C)C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	920917065	JNTNZGGXZPMCPQ-HUUCEWRRSA-N	423.465	3.537	10	20	HHCD	
CCOc1ccc(N2CCN(CC(=O)N(C)Cc3ccc(Cl)s3)CC2)cc1	1323168715	LFSNQQCOCLHHQG-UHFFFAOYSA-N	407.967	3.581	10	20	HHCD	
CN(CCCC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1	1353195360	UWIODSFWNAAMFS-UHFFFAOYSA-N	407.580	3.503	10	20	HHCD	
CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	145601496	HYYORHKJUSPSNJ-AWEZNQCLSA-N	401.488	3.644	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1C	248237137	FCCQRJVLEBCCOD-INIZCTEOSA-N	411.527	3.541	10	20	HHCD	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(N(C)C)cc1	302475048	XACUZRFCCPBNOG-OAHLLOKOSA-N	418.519	3.618	10	20	HHCD	
CC(C)c1nc(/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)c2ccccn12	532151848	HSUKXPSZHRFFAH-KAMYIIQDSA-N	400.438	3.810	10	20	HHCD	
COc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccc(N2CCSCC2)cc1	725874110	GMPSAEXBQBDWJF-IBGZPJMESA-N	413.543	3.571	10	20	HHCD	
COc1ccc(OC)c(NC(=S)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	726444852	QGHINPHWTIBNKJ-QGZVFWFLSA-N	402.516	3.787	10	20	HHCD	
C[C@H](NC(=S)NCCCN(C)c1ccccc1)c1ccc(N2CCOCC2)cc1	726481498	DBIHIKGQOWDYGP-IBGZPJMESA-N	412.603	3.575	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2ccc(C)cc2C)nc1-c1ccccc1	727251173	SWJGYAWZCPBARU-UHFFFAOYSA-N	416.524	3.943	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(CCc3cccnc3)C1=O)O[C@@H](C)C2	727864404	VKROEQDXPIWHDG-MDBUFAAASA-N	412.536	3.858	10	20	HHCD	
CNC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cn1	728679980	VWAUZHSVAYRLLT-UHFFFAOYSA-N	419.481	3.505	10	20	HHCD	
CC(C)(C)c1cc(CNCCc2ccc(S(N)(=O)=O)cc2)c(O)c(C(C)(C)C)c1	729678903	WCEAYCSKEWLTDE-UHFFFAOYSA-N	418.603	3.967	10	20	HHCD	
O=C(CN1CCN(Cc2c(O)ccc3ccccc23)CC1)N1CCCc2ccccc21	731351535	SQPDURPFGVCDOL-UHFFFAOYSA-N	415.537	3.642	10	20	HHCD	
COC(=O)[C@@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	733170048	JCKRWKYSKFVPSG-LBPRGKRZSA-N	407.308	3.738	10	20	HHCD	
CC[C@@H](C(=O)NCCCSc1nccs1)n1nnc(-c2ccc(Cl)cc2)n1	733883940	HUHFVOAPEFTIOZ-AWEZNQCLSA-N	422.967	3.700	10	20	HHCD	
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccc(N(C)C)cc3C)C2)c1	734405615	UZPXVVZMMKHVLZ-NRFANRHFSA-N	407.558	3.846	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)NCc1ccc(N(C)C)cc1C)c1cccc(OC)c1	734521833	HOXHPGJDTLLUBV-HSZRJFAPSA-N	412.578	3.952	10	20	HHCD	
CN(CC(=O)N(C)CCOc1ccccc1F)Cc1ccc(N2CCCCC2)cc1	738300246	VHJQCXNIQGRLPI-UHFFFAOYSA-N	413.537	3.785	10	20	HHCD	
CN(c1ccc(CNC(=O)Cc2nnc(O)c3ccccc23)cc1)C1CCCCC1	742416567	CQPBZRVLYNWDKZ-UHFFFAOYSA-N	404.514	3.963	10	20	HHCD	
Cc1ccccc1[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H](C)CO1	745747492	VVBJRUSIMKUFRU-AUSIDOKSSA-N	409.530	3.503	10	20	HHCD	
CN(CCc1ccncc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903052	BKCFWYDYBOFMDX-QGZVFWFLSA-N	404.461	3.536	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1	746240413	PMTHHWFXKJJFNI-GOSISDBHSA-N	400.475	3.673	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc1	746366850	VRKXFNZCRLHYSK-SFHVURJKSA-N	413.566	3.934	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Br	746738091	ABHRIWFPZDAXOF-UHFFFAOYSA-N	420.307	3.616	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2csc(COc3ccc(F)cc3)n2)cc1F	746803399	WSHSXOFQCXPWTD-UHFFFAOYSA-N	403.454	3.996	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)s1	749920671	YGJDDIBPBDVGFH-ZFWWWQNUSA-N	405.951	3.523	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)oc1C	751127354	LUUPYSYOPNKCLC-UHFFFAOYSA-N	412.876	3.952	10	20	HHCD	
CCN(Cc1ccccn1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	752361911	GZGAUZVTEVCPKS-IAGOWNOFSA-N	400.498	3.566	10	20	HHCD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	754551396	WDZKKCMDHKEIBN-OAHLLOKOSA-N	418.493	3.685	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1	755020915	KIRVVXHYSUZHFZ-PMERELPUSA-N	424.522	3.911	10	20	HHCD	
COCCOCCCN[C@@H](C)c1cc(Br)cc(Br)c1O	756361432	ZGBSTWAAUYXEJQ-JTQLQIEISA-N	411.134	3.621	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3cc(C)ccc3O)CC2)cc1	756496840	RMGBPTLNFRHDKZ-QGZVFWFLSA-N	402.560	3.814	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3ccc(Cl)nc3)cc2F)C[C@@H](C)O1	758511292	OKLLUOGFBZRRRY-VZLFFANISA-N	403.885	3.817	10	20	HHCD	
COc1ccc(C(=O)CCCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	759004824	RAWIBVDMFCDZAF-UHFFFAOYSA-N	424.541	3.934	10	20	HHCD	
CC[C@H]1CCC[C@H](NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1	759266410	IYZQKVMEWREKLM-IRXDYDNUSA-N	405.539	3.513	10	20	HHCD	
COc1ccsc1S(=O)(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1	760303475	DSTYBHQEIXVAKY-UHFFFAOYSA-N	411.486	3.898	10	20	HHCD	
COc1ccc2c(c1)[C@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)CC2	761572810	CJXLHWMLRDLOPO-TWOQFEAHSA-N	412.505	3.794	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3csc(C(C)(C)C)n3)CC2)cc1	765759727	RKSGBPCIGKRTPD-UHFFFAOYSA-N	416.591	3.960	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@H](CC(=O)OC(C)C)C2)c1O	768529574	QEJPUBPBNNVMTO-CYBMUJFWSA-N	400.313	3.717	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1-c1ccccc1	768917397	YMLBQTOKJNLGGE-LJQANCHMSA-N	424.932	3.934	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	768954228	NYUWKOCKXYYYEK-UHFFFAOYSA-N	409.530	3.967	10	20	HHCD	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769670725	GPUZCQUOAHYHQH-NSHDSACASA-N	416.421	3.616	10	20	HHCD	
CCC[C@@H]1SCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769859790	TZVFYTPAPPQVHN-HNNXBMFYSA-N	412.558	3.570	10	20	HHCD	
Cc1nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)sc1C	770543517	JLODKWMTGQAWBV-QGZVFWFLSA-N	418.563	3.822	10	20	HHCD	
O=C(CCc1nc2ccccc2o1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771065529	NJZSWRPTLCJTPY-QGZVFWFLSA-N	413.905	3.900	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O	771815736	RVBFAPYANSBFCX-MRUHUIDDSA-N	410.514	3.578	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)c1ccc(N(C)C)cc1	773295677	JEOPFSVVMQFYID-IBGZPJMESA-N	410.562	3.788	10	20	HHCD	
C[C@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)c(Cl)cc1O	774161075	KSJUNSYSMGCLHG-APBUJDDRSA-N	408.285	3.604	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1O	775031172	ZBMCBEKQADSSBV-BJOHPYRUSA-N	401.246	3.828	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cc1F	775052012	RXOGJKPZJMBNTD-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1	775370001	JYMUEJWSTUVLIO-HTQZYQBOSA-N	404.335	3.774	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC(=O)c1ccc(Cl)cc1	777828629	MOMZEKVFHFWYGW-UHFFFAOYSA-N	424.280	3.864	10	20	HHCD	
CN(OCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	779629081	KWWXBHSMILQWHD-UHFFFAOYSA-N	423.435	3.815	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N2CCOC2=O)cc1	783314160	XPDZODLXJIPATM-UHFFFAOYSA-N	410.518	3.829	10	20	HHCD	
COC(=O)COc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	783574662	UKMVJIIVTQPPDU-QGZVFWFLSA-N	420.456	3.598	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2csc(-c3ccc(O)c(OC)c3)n2)cc1	784563675	IOFNXVOSPRGVCD-UHFFFAOYSA-N	414.483	3.713	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	784672766	UKZCYKCZDJTYGZ-INIZCTEOSA-N	423.538	3.910	10	20	HHCD	
CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	785294820	NWNUMGDGBADNOU-GFCCVEGCSA-N	404.894	3.562	10	20	HHCD	
CNS(=O)(=O)c1cccc2c1CCN(Cc1cc3oc4ccccc4c3cc1O)C2	789491441	OCYOEAGNSCBJAC-UHFFFAOYSA-N	422.506	3.758	10	20	HHCD	
CC(C)(C)C(=O)NC1CCC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	790001230	GTVBLKFWMSKRSU-UUKMXZOPSA-N	416.562	3.621	10	20	HHCD	
CCOc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])cc1OCC	797611203	MNYZOKPDUVRYOT-LBPRGKRZSA-N	419.434	3.556	10	20	HHCD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	798060866	NDUCXYZQPAHHIQ-PDIWNELESA-N	409.530	3.838	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ncccc1Oc1ccccc1	799316762	IRYZFRGQQMYCLZ-UHFFFAOYSA-N	407.445	3.780	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccn(CCN(C)C)n3)cc2Cl)C1	800544068	VAZKXWQKMGYHML-INIZCTEOSA-N	418.973	3.656	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1	801962870	VBVZNDCZYXGIGJ-QFIPXVFZSA-N	411.546	3.605	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H](O)c3cccc(Br)c3)CC2)cc1	802315419	XQAGMPDJGSENPF-HXUWFJFHSA-N	405.336	3.750	10	20	HHCD	
CCCCC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C	803299887	BRSVQSGHBDGXOJ-RXVVDRJESA-N	417.594	3.812	10	20	HHCD	
Cc1ccccc1[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	805876055	KFBGSGUZCRBOTH-QHCPKHFHSA-N	405.542	3.820	10	20	HHCD	
CC[C@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1cccc(Cl)c1O	806133912	FEFVPFFKCASGGL-KRWDZBQOSA-N	406.910	3.762	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H]3CCCN(Cc4ncccn4)C3)ccc21	810741999	KLDNZFIOKKZRHS-FQEVSTJZSA-N	422.529	3.516	10	20	HHCD	
O=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	819427695	QLWAIQAMAVCCDB-MRXNPFEDSA-N	415.433	3.781	10	20	HHCD	
COc1ccc(-c2csc(NS(=O)(=O)c3ncn(C)c3Cl)n2)cc1Cl	914578332	VVJKAJVGQZFZHT-UHFFFAOYSA-N	419.315	3.660	10	20	HHCD	
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	914614253	WVQYJYDEBFNLEQ-QGZVFWFLSA-N	405.454	3.876	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSCc3ccccc3)cc2F)C[C@H](C)O1	917169740	LZRSAYBXFLFWFC-IRXDYDNUSA-N	402.535	3.989	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCc3nc4ccccc4o3)cc2F)C[C@@H](C)O1	917709847	GOPCEDGXORRISO-HZPDHXFCSA-N	411.477	3.830	10	20	HHCD	
CCCCN(CC(N)=O)C(=O)c1cc(C)n(-c2ccccc2Br)c1C	918134230	UZYRHWKFRNMQKT-UHFFFAOYSA-N	406.324	3.584	10	20	HHCD	
CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)N1CCCCCC1	918203197	XVXFCYJIBJKLLP-JOCHJYFZSA-N	418.651	3.940	10	20	HHCD	
CCCNC(=O)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	918678772	ORHMTYNSRJVVLP-UHFFFAOYSA-N	406.324	3.503	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1	919783794	USWHKRHEXCYLHF-UHFFFAOYSA-N	402.926	3.966	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cccc(C(C)C)c3)CC2)cc1	920254527	OZXGKWRIDXMKLN-VAWYXSNFSA-N	407.514	3.662	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1OC(F)F	920473864	YNIZXHWMCIAEDV-XNTDXEJSSA-N	414.499	3.592	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OCC2CC2)nc1	1252200530	XTTNIWMQPFQYRL-KRWDZBQOSA-N	417.456	3.871	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(NC(=O)c2ccc(O)nc2)cc1	1321932610	XOPQFVSHFVVALE-UHFFFAOYSA-N	402.454	3.892	10	20	HHCD	
CN(Cc1ccc(N2CCCC2)cc1)[C@H](C(N)=O)c1cccc(Br)c1	1338075181	PLVXQATXGOXLNX-IBGZPJMESA-N	402.336	3.708	10	20	HHCD	
COc1cc(N2CCN(c3nc(C)nc4scc(C)c34)CC2)cc(OC)c1OC	302392918	JOGHCYXJABFUQM-UHFFFAOYSA-N	414.531	3.661	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(c2cccc(F)c2)CC1	303764225	DECWGLQGZKTEIN-UHFFFAOYSA-N	411.521	3.565	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)c(N2CCOCC2)c1	472056003	YWSOPTHOQQTEDE-UHFFFAOYSA-N	406.530	3.631	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3C)n2)c[nH]1	727247820	OSMAKJSWLPTWRG-UHFFFAOYSA-N	411.892	3.687	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1	727606120	BPPVHOMEGHPUQY-UHFFFAOYSA-N	422.573	3.897	10	20	HHCD	
Cc1cc(C(=O)Cn2c(-c3cccnc3)noc2=O)c(C)n1-c1ccc2c(c1)CCC2	728162049	RZMKDYHTHBDQTI-UHFFFAOYSA-N	414.465	3.677	10	20	HHCD	
CCCN(CCC)C(=O)c1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1	728456425	LZMVBAPUHINZQM-UHFFFAOYSA-N	423.557	3.920	10	20	HHCD	
Cc1cc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c(C)n1-c1ccccn1	728968533	DFGXZBWBYZRSNU-HXUWFJFHSA-N	403.404	3.669	10	20	HHCD	
CC(C)[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)N1CCCCC1	729324858	JJBCIBARSVLCPZ-KGVIQGDOSA-N	405.558	3.566	10	20	HHCD	
CC(C)(C)c1cc(CNCCCN2CCC[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1	729684404	OGTUDGRNCZYCEY-KRWDZBQOSA-N	403.611	3.664	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1-c1ccccc1F	731859144	SSSBCWVPUUQUTD-SFHVURJKSA-N	409.461	3.847	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](CN(C)C)C2)c(C)n1-c1ccccc1Br	733980880	PBLYHKGTVUMUSA-INIZCTEOSA-N	404.352	3.880	10	20	HHCD	
CN(c1ccc(CNC(=O)NCCCOC[C@H]2CCCO2)cc1)C1CCCCC1	743341663	QERYLKQIVZPYTL-JOCHJYFZSA-N	403.567	3.840	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(C[S@@](C)=O)c1	743808484	VRULQHDKTNJJJS-XMMPIXPASA-N	410.333	3.696	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(NC(C)=O)ccc1F	743809435	WAKSRSIANFEAGE-UHFFFAOYSA-N	409.255	3.915	10	20	HHCD	
CC[C@]1(C)CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	743860523	KJZPDDFOCCGLJX-IEGUWTFLSA-N	405.558	3.568	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCc1cccc(OC)c1	743870943	IOGJPALEZSJILN-AWEZNQCLSA-N	421.335	3.690	10	20	HHCD	
CCN(CCc1ccccn1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905481	OCFBIYQJUIMEND-GOSISDBHSA-N	418.488	3.926	10	20	HHCD	
CC(=O)c1cc(F)cc(CN(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c1O	750820431	QFDMVYPHJQELGJ-INIZCTEOSA-N	415.383	3.624	10	20	HHCD	
O=C(NCc1ccc(COC2CCOCC2)cc1)NCc1ccc(N2CC=CC2)cc1	752179351	DBYHPDVKQIOSIG-UHFFFAOYSA-N	421.541	3.758	10	20	HHCD	
O=S1(=O)CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@H]2CCCC[C@@H]21	753546882	LYRNJXBAEVZAEL-UNMCSNQZSA-N	401.528	3.513	10	20	HHCD	
COc1ccc2cc(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)c(C)nc2c1	753741462	GBHGYVPPUKCBGA-UHFFFAOYSA-N	409.461	3.662	10	20	HHCD	
Cc1ccc(Cn2cccc(NC(=O)NCc3ccc(N(C)C)c(F)c3)c2=O)cc1	754466485	AERIXOFFDSGPGW-UHFFFAOYSA-N	408.477	3.732	10	20	HHCD	
COCCCOc1cc(C)ccc1CNC(=O)NCc1ccc(N2CC=CC2)cc1	755175379	MSHMNLKRIHWYIG-UHFFFAOYSA-N	409.530	3.786	10	20	HHCD	
C[C@@H](NCC(=O)NCCc1ccccc1)c1cc(Br)cc(Cl)c1O	756818660	QKQFMUZQRWGBOF-GFCCVEGCSA-N	411.727	3.818	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCc3n[nH]cc3C2)cc1	756987480	ICNHNUVHUDKZSI-GOSISDBHSA-N	404.514	3.823	10	20	HHCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	758562289	QGOORNWEMWBSFJ-MRVPVSSYSA-N	403.740	3.954	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1ccccc1)CC(F)F	759569617	QPBDHFBXDPSKLM-UHFFFAOYSA-N	407.436	3.639	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)s1	759719944	PXCRNNRNPWDEKK-UHFFFAOYSA-N	418.588	3.909	10	20	HHCD	
O=C(NCCOc1ccc(C(F)(F)F)cn1)NCc1ccc(N2CCCC2)cc1	760742814	ISNXKZMQAIZMEW-UHFFFAOYSA-N	408.424	3.579	10	20	HHCD	
COc1cc(Cl)cc(CN2CCOC[C@@H]2c2noc(-c3ccccc3)n2)c1O	761215445	PVWHLONHGJAUGK-MRXNPFEDSA-N	401.850	3.678	10	20	HHCD	
COc1ccc(N2CCC(N3C(=O)CN(Cc4ccc(Cl)cc4)C3=O)CC2)cc1	761223204	PBWWGOQHBLPIJQ-UHFFFAOYSA-N	413.905	3.782	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(Oc2cccc(Cl)c2Cl)nn1	762267774	QVQBYNIIZPPLNW-UHFFFAOYSA-N	420.252	3.959	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)cc1	764255410	RNMGAJAKTUUXAC-UHFFFAOYSA-N	411.550	3.569	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)c1O	764322155	LIRGWKJJINMEQP-UHFFFAOYSA-N	401.875	3.925	10	20	HHCD	
Cc1cccc(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	765341998	BMYAGZKWFAUFHW-NRFANRHFSA-N	409.530	3.516	10	20	HHCD	
Cc1noc(C2CC2)c1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	767890756	OSJDGSXAOBOHQV-BETUJISGSA-N	402.470	3.935	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(F)ccc2Oc2ccccc2)c1	769758301	BJFBYOBOTMQVII-UHFFFAOYSA-N	416.430	3.947	10	20	HHCD	
COC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCCC1	771923173	WHRWPDMMBNWURR-UHFFFAOYSA-N	400.441	3.508	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1	773740710	OICYNBXWIOJAIX-QAPCUYQASA-N	414.502	3.801	10	20	HHCD	
CC[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(Cl)c(Cl)c1O	775523267	HVQDLIYGABRAIR-GXFFZTMASA-N	424.371	3.636	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(N(C)C)cc1	776243570	FDTGJWRMADFRNO-MRXNPFEDSA-N	410.518	3.580	10	20	HHCD	
O=C(CCCCC(=O)c1ccc(F)cc1)NCc1ccc(N2CCOCC2)c(F)c1	777776459	DMYOZAYCYQSWTJ-UHFFFAOYSA-N	416.468	3.861	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccccc2-c2c(F)cccc2F)c1O	778617154	CUSOGXGZXHGQAC-UHFFFAOYSA-N	412.392	3.601	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(O)c(O)c2)cnn1-c1ccc(Br)cc1	778916735	PNNAKDIDXYSMHX-UHFFFAOYSA-N	416.275	3.538	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc(Br)ccc1OC(F)F	779481587	NZKMHNFWDRJMNZ-KXFIGUGUSA-N	414.202	3.791	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)c1ccc(N)cc1	783483179	OMXHSWXSMKXYTA-KRWDZBQOSA-N	414.509	3.947	10	20	HHCD	
CC(C)NC(=O)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1	784108864	QVNPKRJMVFMGCY-UHFFFAOYSA-N	422.529	3.569	10	20	HHCD	
Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	784647986	UJPINSMUQCAWQT-UHFFFAOYSA-N	408.527	3.782	10	20	HHCD	
COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2ccccc2OC)cs1	785549147	SDNCFDJSNSITMP-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1	786054503	VTAUPRCYBHRXON-UHFFFAOYSA-N	421.328	3.984	10	20	HHCD	
C[C@H]1[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)CCN1C(=O)OC(C)(C)C	786257663	WWRAUFNMXUNEON-QFBILLFUSA-N	419.591	3.502	10	20	HHCD	
COC[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	787374774	VOOSACNJGVBNKH-NRFANRHFSA-N	417.937	3.706	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	788921643	VGTLPTMIYHRKNF-FUBOCBINSA-N	409.574	3.576	10	20	HHCD	
COC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2Br)c1C)[C@@H]1CCCO1	790274893	ONTJDSRNRGJQAZ-MJGOQNOKSA-N	421.335	3.780	10	20	HHCD	
CCC1=C(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCO1	790677039	NDPIENBCTFNRGW-LJQANCHMSA-N	417.550	3.909	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C	791250458	RCAHNWYRZWINMQ-UHFFFAOYSA-N	413.518	3.836	10	20	HHCD	
C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1c(O)ccc(Cl)c1F	792180306	PTANVJVLRIJNTM-ZDUSSCGKSA-N	412.914	3.918	10	20	HHCD	
O=C(CCc1cnc2ccccc2c1)NCc1ccc(N2CCC(CO)CC2)cc1	792191453	XHPZBWATCATCCB-UHFFFAOYSA-N	403.526	3.693	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21	793457387	KBUZZOVWEILRFI-OAQYLSRUSA-N	412.555	3.597	10	20	HHCD	
COc1ccc(=O)n(CC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)n1	794441573	TWRASDWHNAZIAR-UHFFFAOYSA-N	406.269	3.849	10	20	HHCD	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NCc2cc([N+](=O)[O-])ccc2O)c1	796401640	JEBXYCPZZZLHNE-UHFFFAOYSA-N	407.492	3.560	10	20	HHCD	
Oc1cccc(Cl)c1CN1CCC(O)(c2scnc2Br)CC1	797604485	TVUFPMOZCSUSBZ-UHFFFAOYSA-N	403.729	3.748	10	20	HHCD	
CC[C@@H](CO)NC(=O)c1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1	798085362	PZSDBHCPOIJWFH-INIZCTEOSA-N	409.452	3.884	10	20	HHCD	
C[C@@H](CCNS(=O)(=O)c1ccccc1)NCc1cc(Cl)cc(Cl)c1O	801734447	BMXHZRRFFUWHGR-LBPRGKRZSA-N	403.331	3.546	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12	803322176	WVCCAZKYFSXWFN-UHFFFAOYSA-N	420.557	3.824	10	20	HHCD	
COc1ccc(CS(C)(=O)=O)cc1NCc1ccccc1OCc1ccccn1	809695377	JDEVKCDPZLVCFL-UHFFFAOYSA-N	412.511	3.826	10	20	HHCD	
CCCCc1ccc(NC(=S)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1	812259425	AWFVXLMBFUQBRG-UHFFFAOYSA-N	406.577	3.593	10	20	HHCD	
COC(=O)C1=NO[C@@H](CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)C1	814773471	SOYWHCZWBBIREP-HJCFUPBFSA-N	418.521	3.923	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CSCC(=O)N(C)C2CCCCC2)C2CC2)cc1	914482048	VOXJYJWNTQETFQ-UHFFFAOYSA-N	417.619	3.768	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1	915338115	KPTSILSOZQXTCA-UHFFFAOYSA-N	408.502	3.536	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	916220612	PXIUUPBDYOBFRI-RBBKRZOGSA-N	420.513	3.606	10	20	HHCD	
COc1ccc(OC)c([C@H](C)NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1	917074930	LZZSOCSARKQEEE-SFHVURJKSA-N	413.562	3.858	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1	920237343	IPBMEZJBZDBYMQ-FQEVSTJZSA-N	424.589	3.705	10	20	HHCD	
CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1N=Nc1ccc(O)cc1	1317736287	YIVYKRAMHSTJAO-CQSZACIVSA-N	412.446	3.835	10	20	HHCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1320126605	JDCCLYIJLUMBGN-LPHOPBHVSA-N	404.894	3.540	10	20	HHCD	
O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1	15497247	UEIFBRUUSSADOB-UHFFFAOYSA-N	424.450	3.566	10	20	HHCD	
C[C@@H](NCc1cc(Br)ccc1O)C(=O)Nc1cccc(N2CCCC2)c1	725851054	IENDSADHVFSGRV-CQSZACIVSA-N	418.335	3.872	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cc(Cl)c3c(c2)OCO3)SC1=S	727177227	XWGWADPHIBVQGC-AUWJEWJLSA-N	412.964	3.858	10	20	HHCD	
O=C(CN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2)NCc1ccccn1	727831463	CTADGTIELMBJGJ-RMKNXTFCSA-N	415.493	3.689	10	20	HHCD	
Cc1cc(C(=O)NCCC(=O)NC(C)(C)C)c(C)n1-c1ccccc1Br	728028578	NBBACUYMVTZLSQ-UHFFFAOYSA-N	420.351	3.891	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(OC)c(Br)c(OC)c2)c1	728980013	TVONBYTYFNFZEJ-JTQLQIEISA-N	410.264	3.672	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)c1	729038508	WQLUQOUPDUFTFZ-MRXNPFEDSA-N	411.502	3.839	10	20	HHCD	
O=[N+]([O-])c1cc(CNCC2(N3CCCCC3)CCOCC2)ccc1N1CCCCC1	732231431	VXNBVQGSILCEQU-UHFFFAOYSA-N	416.566	3.710	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c(C)n1-c1cccc(Cl)c1	733157299	YYLVYQDDMZZQEQ-QFIPXVFZSA-N	416.997	3.749	10	20	HHCD	
CN(C)Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)oc2ccccc12	733887221	RZQNAKDJIFOENF-UHFFFAOYSA-N	407.514	3.603	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1	734467752	BEQCSHFCWYORMJ-HAHDFKILSA-N	414.509	3.543	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(N2CCC(C)CC2)c1	740490050	CSJWBDGODOPSRK-UHFFFAOYSA-N	422.573	3.976	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1OCCC(C)C	740495089	KWNMKCXHEXTLPO-UHFFFAOYSA-N	415.509	3.880	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1OCC1CC1	741095177	FSXWMCGROMJDRA-UHFFFAOYSA-N	413.493	3.668	10	20	HHCD	
COC(=O)CN(CCCc1nc(-c2ccccc2)no1)Cc1cc(Cl)ccc1O	741785024	MZOYYBPFJBNKHT-UHFFFAOYSA-N	415.877	3.703	10	20	HHCD	
CC[C@@H]1CN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CCS1	742427713	YTTRIYBHQIYPBM-MRVPVSSYSA-N	406.258	3.606	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)N(C)C)cc1	743075866	PNTGNWDJTULJOF-UHFFFAOYSA-N	420.307	3.911	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1	743633668	BYMLIVOQGIDKOU-UHFFFAOYSA-N	408.590	3.773	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)N2CCCC2)cc1	746986308	YVNHWEAWNHRPJS-XMMPIXPASA-N	422.573	3.714	10	20	HHCD	
O=C(Cc1cccc(OC(F)(F)F)c1)NCc1ccc(N2CCSCC2)cc1	747804847	AQYCDQLWHUUINK-UHFFFAOYSA-N	410.461	3.997	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3c(F)cccc3Br)CC2)cc1	749353430	VVJXKNHMSWXXDM-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	750330460	DZITYOIPCPJPKT-FQEVSTJZSA-N	410.562	3.819	10	20	HHCD	
C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc(N2CCCC2)cc1	752148443	HPGCXIPMXOGITQ-MJGOQNOKSA-N	416.566	3.732	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O	755837473	QQGBUZKODRYNHY-UHFFFAOYSA-N	408.477	3.732	10	20	HHCD	
CC(C)[C@@H](CN[C@H](C)c1cc(Br)cc(Cl)c1O)N1CCOCC1	756368696	RARUQXMGMHICFC-MLGOLLRUSA-N	405.764	3.816	10	20	HHCD	
CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc21	758161316	BSTBVUPYJOENCQ-UHFFFAOYSA-N	401.271	3.730	10	20	HHCD	
COc1cc(Cl)cc(CN2CCC(C(=O)NCCc3cccs3)CC2)c1O	761196218	YSQPVRHAUVNJFF-UHFFFAOYSA-N	408.951	3.687	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(Cc2ccccc2)c1	765294996	BYUFKRHSPXTZPM-HXUWFJFHSA-N	404.558	3.991	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2csc(S(C)(=O)=O)c2)cc1	766332055	NBSYZSDTTZJKHL-UHFFFAOYSA-N	418.540	3.653	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@H](O)c3ccc(-c4ccccc4)cc3)cc2)CC1	766465267	DCLCMGAQZPHKGM-SANMLTNESA-N	401.554	3.929	10	20	HHCD	
O=C(NC1CCCCC1)NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769105700	FNHKSXXGJOBHFO-UHFFFAOYSA-N	410.902	3.550	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@H]2C)c1O	769504363	WLGWFESUEBYXIM-AHRSYUTCSA-N	422.525	3.801	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(Br)c[nH]1	771054576	ABSRZJVSYIAJJM-CQSZACIVSA-N	412.715	3.531	10	20	HHCD	
COc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)N2CCCC2)cc1	773617320	DQMZCMLOOZRHDY-MBSDFSHPSA-N	410.562	3.959	10	20	HHCD	
CCCCOC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	773857681	NFFWMAVNFCHUES-MRXNPFEDSA-N	411.502	3.525	10	20	HHCD	
CC(C)C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	775193769	BFMIMUNZHRVGGN-WMZHIEFXSA-N	423.557	3.604	10	20	HHCD	
Cc1coc2ccc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc12	776085586	QBJLNFWJSYQQIE-KRWDZBQOSA-N	406.486	3.765	10	20	HHCD	
CCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1	777666361	GBTINFYADUCAFC-UHFFFAOYSA-N	421.569	3.871	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCCCCNC(=O)OC(C)(C)C)CC2)cc1	780418216	VGPKJGHGHGIPLK-UHFFFAOYSA-N	419.566	3.819	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)co1	781377329	DRHKOYQEZHARTD-ZDUSSCGKSA-N	403.390	3.547	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)cc2Cl)c1	782106335	BFRYPHRSWRTUDG-GFCCVEGCSA-N	406.866	3.657	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC	783316534	OWHVULODPPMDNO-UHFFFAOYSA-N	413.518	3.536	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1O	787294695	ILZIGUBOBRUPKQ-UHFFFAOYSA-N	401.297	3.526	10	20	HHCD	
CC(C)N(C)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cn1	790100337	AYTGUOSOOITFTO-RVDMUPIBSA-N	407.561	3.772	10	20	HHCD	
CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2c(O)ccc3oc4c(c23)CCCC4)cn1	792715582	SDGXHGNSSYSUJM-YRVHBCJASA-N	413.543	3.539	10	20	HHCD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	793731050	PNMZLYCRVYHHAV-MRXNPFEDSA-N	415.440	3.536	10	20	HHCD	
COc1ccc(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c(O)c1	794381666	QTYGKIIDFBEFHK-UHFFFAOYSA-N	403.788	3.586	10	20	HHCD	
CS(=O)(=O)c1ccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)cc1	796276544	PUCYLLMAYZTQMM-UHFFFAOYSA-N	406.551	3.943	10	20	HHCD	
COCCC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1	799715506	RGXGYJYSAKUPLW-NFBKMPQASA-N	413.537	3.785	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1	801633609	NMALFJAZODJIAL-UHFFFAOYSA-N	414.458	3.800	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(OC(F)F)nc3)cc2F)C[C@@H](C)O1	801953307	MDBNRQKDPSLWLI-CHWSQXEVSA-N	424.423	3.757	10	20	HHCD	
CCCN1Cc2cccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)c2C1	807513084	SMHRYZSORUTPGG-UHFFFAOYSA-N	422.312	3.680	10	20	HHCD	
CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807513605	QPHTYARIBGAOKA-UHFFFAOYSA-N	424.284	3.611	10	20	HHCD	
CC(C)CN(C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCc2cccnc21	807674316	JWWINRXHPANHAR-AVRDEDQJSA-N	422.573	3.887	10	20	HHCD	
CCOc1ccc(CN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C(C)C)cc1	807677471	PITXQUJUIFNJCF-GOSISDBHSA-N	411.546	3.766	10	20	HHCD	
C[C@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cc([N+](=O)[O-])ccc1O	810253982	CKZBFMRXBCBNGG-AWEZNQCLSA-N	424.457	3.520	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	810316239	UTTAGIPXOTZWRW-UHFFFAOYSA-N	402.426	3.659	10	20	HHCD	
Fc1ccc(C2OCCO2)c(Cl)c1CNCc1ccc(N2CCOCC2)cc1	812825915	QWHSBSOMQBJHTR-UHFFFAOYSA-N	406.885	3.651	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1	916262509	OGEHAFZCFZVWDY-UHFFFAOYSA-N	416.953	3.758	10	20	HHCD	
CC(C)(C)c1cc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1	917466403	IVBTZDDTVNGYRW-MRXNPFEDSA-N	410.624	3.748	10	20	HHCD	
Cc1ccnn1-c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	917711137	LJNYEOUYKOJZCO-ROUUACIJSA-N	422.504	3.863	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c(C)c1	917844809	HVZIPPKTKVOQOQ-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)n2)cc1	917846433	PLOZGDDFFJTEOI-UHFFFAOYSA-N	415.540	3.875	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)N(C)C)c1	918057735	VIKCBFNLZSKFQL-HSZRJFAPSA-N	410.562	3.738	10	20	HHCD	
CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918223740	JRZZQGUNLVBWFY-SFHVURJKSA-N	403.523	3.943	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(NC(=O)NC(C)C)c3)CC2)cc1	918369222	PKDHSQUUGQYZCO-UHFFFAOYSA-N	410.518	3.578	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(N2CCOCC2)cc1	920872250	JIOARYAEKHRNHN-MRXNPFEDSA-N	408.502	3.754	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)c(C(F)(F)F)c1	921281549	UIKYRNJGCZDWHW-UHFFFAOYSA-N	400.347	3.750	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1	1318379101	PDJYLNLNKOFELE-UHFFFAOYSA-N	415.496	3.504	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)CC2)cc1	1319380301	GDXBWZMMWCDHLY-UHFFFAOYSA-N	417.513	3.710	10	20	HHCD	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1319716483	UZIGMMQPDUDHPY-HPGBDJQBSA-N	403.567	3.508	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)Cc2ccccc2)cc1	14845669	VLNQEJWAECURFW-UHFFFAOYSA-N	402.454	3.510	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cn1nc(N2CCOCC2)sc1=S	63123759	HJFUFVYFZMTOKV-UHFFFAOYSA-N	419.620	3.590	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCC[C@H]1Cc1ccccc1	303871959	XSDQNLRLLLXRHE-UNMCSNQZSA-N	411.521	3.873	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-]	553663787	BMLIYONYFDAPFY-UHFFFAOYSA-N	404.426	3.762	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])c(O)c3)SC2=S)c1	726625931	QOJBWXTWLRUOLT-LZYBPNLTSA-N	418.452	3.723	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(Cl)c(I)c2)c1O	727762559	PIZQAMPWLWTWET-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	729681634	GCDVBKJXRLYAAD-UHFFFAOYSA-N	400.435	3.792	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@@H]3CN3CCCC3=O)ccc21	732021672	WBOQOAQUFBQYOQ-HXUWFJFHSA-N	411.546	3.522	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@H]3CCN(CC(F)(F)F)C3=O)c2C)c1	732780503	AGZHEYOPEVFTQW-SFHVURJKSA-N	407.436	3.638	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1	734547206	KYEMSSTVBXHWGO-XLIONFOSSA-N	420.431	3.979	10	20	HHCD	
Cc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2c(O)ccc3ccccc23)CC1	736585760	XNMVUBWFHDFXJH-LJQANCHMSA-N	404.510	3.966	10	20	HHCD	
O=[N+]([O-])c1cc(CNCCNc2nccc(C(F)(F)F)n2)ccc1N1CCCCC1	738435845	NJCMDCXQPDSIDL-UHFFFAOYSA-N	424.427	3.596	10	20	HHCD	
CCN(CC)c1ccc(CNC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1F	740014642	PMYGFJGAPVLXBD-IBGZPJMESA-N	408.901	3.920	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)CCc3cccc(F)c3)cc2F)CC1	742644845	ISOSNPOZIZCEBD-GOSISDBHSA-N	415.528	3.992	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Br)cs1	742807763	SREBMFKNZQUADA-UHFFFAOYSA-N	409.349	3.649	10	20	HHCD	
CCc1nsc(N2CCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)n1	743804757	VSFXBKWLYCEUGE-UHFFFAOYSA-N	409.559	3.861	10	20	HHCD	
CCCCCCN(CCN1CCOCC1)C(=O)c1cc(C)n(-c2ccccn2)c1C	744350698	ZOTGLZDHQDPUAK-UHFFFAOYSA-N	412.578	3.844	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@H](c3ccccc3Cl)N(C)C)ccc21	746986099	WHNRDYSYLGURSN-OAQYLSRUSA-N	400.954	3.825	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1	748099607	YZEWYCBNTOYIEJ-BWKNWUBXSA-N	420.557	3.523	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCSCC1	749816565	SQZVJPVAYFRDEY-SDNWHVSQSA-N	412.627	3.741	10	20	HHCD	
COc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc2c1O[C@H](C)C2	751306378	VUKRAKCFFJRSRI-CQSZACIVSA-N	400.438	3.981	10	20	HHCD	
CCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1	751355959	JAOPALYPUSUXAY-UHFFFAOYSA-N	403.500	3.702	10	20	HHCD	
C[C@@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751935303	ALGZZBRLNCEWEO-RDTXWAMCSA-N	401.532	3.510	10	20	HHCD	
O=C(Nc1cccc2ccsc12)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	752382149	OTWQHMCPRZFJNH-KRWDZBQOSA-N	410.495	3.753	10	20	HHCD	
C[C@]1(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO[C@@H]1C1CC1	753198145	ILVYZPAUBGVJLW-KLHJMIIUSA-N	409.477	3.514	10	20	HHCD	
COc1cccc(C[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C2CC2)c1	753860809	VXBPOFSEHUXETC-URXFXBBRSA-N	407.558	3.508	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CCOCC1)c1cc(Br)cc(F)c1O	756362622	KRNUUPSKNGFAFL-AWEZNQCLSA-N	423.326	3.977	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(Br)c(F)cc1O	756449973	PUCGUOGHUHIURA-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl	756924498	CQGNENKIMOYJMT-UHFFFAOYSA-N	420.922	3.801	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1c(OC)cccc1OC	757391512	ZJUHQPHJNCYQAR-UHFFFAOYSA-N	408.292	3.763	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cc(Br)c(F)cc1O	757640652	SSJUVOHGQZKJOD-CJNGLKHVSA-N	423.326	3.711	10	20	HHCD	
Cc1cc(Br)cn2cc(CCN[C@@H](C)c3cc([N+](=O)[O-])ccc3O)nc12	757690240	ROMXXIFWXUSBIC-LBPRGKRZSA-N	419.279	3.912	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	758729936	QXIPAZAKAVHNOF-RDJZCZTQSA-N	422.545	3.727	10	20	HHCD	
COCc1nc(C)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	759193473	AYURVUFZGUVQMA-ZDUSSCGKSA-N	411.474	3.598	10	20	HHCD	
Cc1cc(C(=O)CN(C)c2ccc(OC(C)C)cc2)c(C)n1[C@H]1CCS(=O)(=O)C1	759933717	OWZBINRZASPPIA-IBGZPJMESA-N	418.559	3.571	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C/c3cccc(-n4cccn4)c3)SC2=S)c1	760212824	VNFXZKUSQAJRQO-BOPFTXTBSA-N	407.476	3.976	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C\c2cccc(-n3cccn3)c2)SC1=S	760213193	YEAFHKXXQHWQHI-DTQAZKPQSA-N	401.513	3.719	10	20	HHCD	
CCOCCC1(CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCCC1	760811886	NPHYGBMYBYNXQL-UHFFFAOYSA-N	407.530	3.653	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cc1	760827505	TZSGWCMXBXLUNB-UHFFFAOYSA-N	424.480	3.543	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C	761753531	RYXPHKWDFJAFEZ-UHFFFAOYSA-N	422.279	3.791	10	20	HHCD	
COc1ccc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1	765277673	TVFXZWOGHJRHPK-GOSISDBHSA-N	421.520	3.802	10	20	HHCD	
O=S(=O)(NCc1cccc(Br)c1O)c1ccccc1C(F)(F)F	766206673	IEORDTUNVLGPHP-UHFFFAOYSA-N	410.211	3.652	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)C(C)(C)C(N)=O)n2)c(C)n1-c1ccc(F)cc1	769888710	XKSYHHZJQFYSIR-UHFFFAOYSA-N	400.479	3.807	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCCc2cc(Cl)ccc2Br)c1	772611182	YALPJTRLMBHJFL-UHFFFAOYSA-N	413.699	3.859	10	20	HHCD	
CN(C)c1ccc([C@@H](CNCc2ccc3nc[nH]c3c2)NC(=O)OC(C)(C)C)cc1	773408874	JUJPCTYCVXWYIO-OAQYLSRUSA-N	409.534	3.985	10	20	HHCD	
CN(C)c1ccc([C@@H](CN[C@@H]2CCCc3c2cnn3C)NC(=O)OC(C)(C)C)cc1	777302403	OVIXKXXTJMINGO-WOJBJXKFSA-N	413.566	3.719	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCCCCC(=O)OCc3ccccc3)ccc21	781857256	XWGYPXBPCDUPEH-UHFFFAOYSA-N	409.530	3.782	10	20	HHCD	
O=C(N[C@@H](c1cccs1)C1CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	785788575	NXKDGMMWXVVSBP-HXUWFJFHSA-N	410.495	3.843	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3csc(N)n3)c2C)c1	788961954	AUPCKZOYMKDLTC-UHFFFAOYSA-N	401.513	3.894	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2cc(Br)ccc2C1	792307690	DEBMRBUOCMWDKT-UHFFFAOYSA-N	416.363	3.532	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNc2ccc(S(=O)(=O)N(C)C)cn2)cc1	794954276	SOMGUGCJXZLABT-UHFFFAOYSA-N	424.570	3.971	10	20	HHCD	
COc1cc(I)c(Cl)cc1CNC(=O)c1cc(O)cs1	796436210	UUZFJKAHUTYJIT-UHFFFAOYSA-N	423.659	3.650	10	20	HHCD	
COc1cc(O)c(CN(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)cc1OC	797606131	ZJNVDBIWMDPRDP-UHFFFAOYSA-N	401.894	3.999	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2ccc([S@](C)=O)cc2)c(C)n1-c1ccccc1	797917441	VMHVLHLQZMAYOH-LJAQVGFWSA-N	409.507	3.800	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](Cn3ccccc3=O)c3ccccc3)CC2)cc1	800507397	XHNYYMHJIIXBOQ-XMMPIXPASA-N	403.526	3.857	10	20	HHCD	
C[C@H](NC(=O)NCc1ccsc1Br)c1ccc(N2CCOCC2)cc1	801001783	QLTNLHUAIMUJER-ZDUSSCGKSA-N	424.364	3.908	10	20	HHCD	
CCCCN(CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)Cc1ccccc1O	801598198	WXHCZJJIDGBVQK-UHFFFAOYSA-N	424.589	3.775	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1	802189349	ZPWNFHUDTJUYAE-UHFFFAOYSA-N	409.490	3.698	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC(C)(c3ccccc3)C2)cc1F	804853445	XYYSEGDPDFWBFW-UHFFFAOYSA-N	411.521	3.525	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	805144676	GXDFCQWBDMRFLP-AREMUKBSSA-N	416.569	3.870	10	20	HHCD	
O=C(NCC1CCC(F)(F)CC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	806772904	WIUGAEGJLYCDCJ-UHFFFAOYSA-N	408.489	3.995	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](c1ccccc1Cl)C(C)C	806846476	PSDBSJXZVKVMOO-HXUWFJFHSA-N	401.938	3.844	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1	807912450	IABMWVWKOCFVFZ-KNQAVFIVSA-N	424.541	3.805	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1	808070813	AKJFBQOWVLDHOP-TZIWHRDSSA-N	404.551	3.621	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ncsc3C(C)C)cc2F)CC1	808914255	ZXECZDJOVIZXOO-UHFFFAOYSA-N	405.543	3.869	10	20	HHCD	
CCc1c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccn1C	810448495	KCSQKEQVHHAHEO-LJQANCHMSA-N	414.550	3.649	10	20	HHCD	
O=C(NCc1ccccc1O)C1(Cc2ccc(F)cc2Br)CCOCC1	815833558	TVCXVCIPNUJKDF-UHFFFAOYSA-N	422.294	3.950	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(C(F)(F)F)n1	857472311	KCFBWATXTRFPAC-CQSZACIVSA-N	413.827	3.854	10	20	HHCD	
C[C@@H](OCCc1ccccc1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857473043	RWAMKADHKSOACP-UTKZUKDTSA-N	416.949	3.774	10	20	HHCD	
CC(C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	916712205	DMYDFEACRFDSCW-HXUWFJFHSA-N	411.502	3.744	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1	917307681	RSGIWQWOEDDBRL-NRFANRHFSA-N	419.481	3.943	10	20	HHCD	
CC(C)(C)c1ccc(CCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	917834566	ZNPSHDDNQWTUHX-NRFANRHFSA-N	421.585	3.935	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccc(N4CCCCC4)nc3)CC2)cc1	918064132	GLSAUGFFRJULLQ-UHFFFAOYSA-N	423.561	3.502	10	20	HHCD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)C2	918208059	CSDQCHVTXUGHGX-YBVWCTEOSA-N	403.542	3.801	10	20	HHCD	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920871949	LZGAEKPOXSBHTP-QGZVFWFLSA-N	422.529	3.607	10	20	HHCD	
O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	1116119811	OYMWNKDRWDIYGT-QHCPKHFHSA-N	416.525	3.720	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccc(-c2ccccc2)o1	1116646798	QENDIRLHMJNJJH-IBGZPJMESA-N	423.465	3.581	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)s1	1318195301	KODBALSCKWJFGS-UHFFFAOYSA-N	420.541	3.569	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1	1318716916	GHXROERQVFYTLV-WBVHZDCISA-N	408.951	3.833	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1	8171278	BSLQVMZZQCUPTB-HSZRJFAPSA-N	401.510	3.930	10	20	HHCD	
CCn1c(SCC(=O)NCc2ccc(N3CCCC3)cc2)nnc1-c1ccco1	28046958	KBCXLTSBPUODPP-UHFFFAOYSA-N	411.531	3.567	10	20	HHCD	
CC(=O)c1ccc(OCCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	145502592	YSKOSDDLGJLJOC-GOSISDBHSA-N	410.514	3.762	10	20	HHCD	
Cc1ccc2c(CCNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c[nH]c2c1	261392311	SPDSOYDJUYCINO-UHFFFAOYSA-N	424.520	3.618	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(N2CCCC2)cc1	302832757	IXPXCCBVVHOOTI-QFIPXVFZSA-N	409.530	3.612	10	20	HHCD	
Cc1cc(C(=O)NCCCc2nnc3n2CCCCC3)c(C)n1-c1ccc(C#N)cc1	303142250	DCCXDEVKFMNXBI-UHFFFAOYSA-N	416.529	3.646	10	20	HHCD	
CNC(=O)Cn1ccc2ccc(NC(=O)NCc3c(C)c4ccccc4n3C)cc21	467948708	LPKCVXCAHPQIFL-UHFFFAOYSA-N	403.486	3.509	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)n(C)c2ccccc12	482912366	VUDJCKXGSLPKAJ-GJZGRUSLSA-N	409.452	3.588	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CN(C)C)c3ccc(OC)cc3)ccc21	556586244	JQIMYATZWCGPIY-HSZRJFAPSA-N	423.557	3.946	10	20	HHCD	
COc1ccc(CCC(=O)N2CCCN(Cc3c(O)ccc4ccncc34)CC2)cc1	725775822	IVFPEVZZDPBCCR-UHFFFAOYSA-N	419.525	3.616	10	20	HHCD	
C[C@H]1CCCCN1[C@@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726612679	DFWKYCQKHFNDKZ-IRXDYDNUSA-N	424.536	3.819	10	20	HHCD	
COCCCN1CCC(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	727105823	RFZUYTUFQJUEHT-UHFFFAOYSA-N	403.954	3.978	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cccc3c2OCCCO3)SC1=S	727175844	BCTIJFODUCDKMQ-WJDWOHSUSA-N	406.573	3.637	10	20	HHCD	
CSc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)cc1	727359217	NSTPGBCFWYZGMN-UHFFFAOYSA-N	402.545	3.520	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1O	729551632	JFEUMRXDINTEFJ-IYBDPMFKSA-N	411.502	3.841	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)NC(C1CC1)C1CC1	731036452	LMLOBPNZMGERAU-UHFFFAOYSA-N	413.562	3.769	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)COc2c(C)cccc2C)cc1F	731403937	BLINHCHTQGRKOK-LJQANCHMSA-N	417.525	3.528	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3csc(Nc4ccccn4)n3)CC2)cc1	736069969	OXXQLOQHBSGHBV-UHFFFAOYSA-N	409.515	3.643	10	20	HHCD	
O=[N+]([O-])c1c(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2sccn12	742423161	DALKDXBCGXAEDV-NSHDSACASA-N	409.418	3.986	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)c2ccnn2C)c(C)n1-c1ccc(OC(F)F)cc1	743225341	WHBMXXMCGCFCFU-AWEZNQCLSA-N	417.412	3.857	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)Sc1ccccc1	743692337	XESLWGKUCIUGKH-GOSISDBHSA-N	413.587	3.875	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O	745835000	RJQRNOKXUOCBML-IBGZPJMESA-N	413.905	3.529	10	20	HHCD	
COc1ccc([C@H]2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1	749933212	NBVZRWGDUUAPAI-NQIIRXRSSA-N	409.530	3.792	10	20	HHCD	
CCn1cnnc1-c1ccccc1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	750598959	ZYAMPDHBRFVXBI-UHFFFAOYSA-N	420.517	3.764	10	20	HHCD	
C[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1	750984540	SKHFEQXZUVKCRN-BWKNWUBXSA-N	422.617	3.696	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c(C)n1-c1cccc(Cl)c1	753689526	KFTOJKODQGIXMK-PMACEKPBSA-N	420.962	3.929	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1	754239739	ZXMVYKSJRNXGSI-SFHVURJKSA-N	423.435	3.520	10	20	HHCD	
C[C@H](NC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	754847498	LJOPLUCECJVGJA-YCRPNKLZSA-N	422.447	3.627	10	20	HHCD	
CSC[C@@H](CCO)N[C@H](C)c1cc(Br)cc(Br)c1O	756601848	BOCPCWVUALVYOG-PSASIEDQSA-N	413.175	3.682	10	20	HHCD	
C[C@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)c(F)cc1O	756604186	MENISXIUQNWBEN-VBKZILBWSA-N	423.326	3.581	10	20	HHCD	
COC(=O)[C@]1(C)CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	759757691	WFEGVOUEOHXGTN-XMMPIXPASA-N	407.466	3.859	10	20	HHCD	
C[C@H](NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1	760039864	GNLVUQNJRBKTAR-GRWTVWFQSA-N	402.485	3.618	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@@H](CO)Cc2ccccc2Br)c1O	763420694	KGSIMAWTOXKSMH-LBPRGKRZSA-N	414.727	3.758	10	20	HHCD	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1cccc(Br)c1O	765235502	VFKGQCCBYNPVAM-UHFFFAOYSA-N	418.291	3.677	10	20	HHCD	
Cc1c(C(=O)NCc2cccc(Br)c2O)cnn1-c1ccc(F)cc1	765770978	UPKNFERGRKYRCT-UHFFFAOYSA-N	404.239	3.718	10	20	HHCD	
CCCCOc1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1O	765902676	BJLOQVVYJLINNE-UHFFFAOYSA-N	421.291	3.589	10	20	HHCD	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	772002404	IWHBCIFQAHBLGV-ZWKOTPCHSA-N	414.550	3.602	10	20	HHCD	
C[C@@H](NC(=O)c1csc(I)c1)c1ccc(N(C)C)cc1	773000863	QCRYFRYOCFXMST-SNVBAGLBSA-N	400.285	3.910	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)C1CC1	774387223	CGZXLOBUWPFEHP-QHCPKHFHSA-N	405.542	3.903	10	20	HHCD	
CCOc1ccc(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c(O)c1	775036151	BYGXMCCXYDVENI-UHFFFAOYSA-N	403.422	3.503	10	20	HHCD	
CCOC(=O)[C@H](Cc1cccc2ccccc12)NCc1ccc([N+](=O)[O-])c(OC)c1O	775118815	PSRVEOGHZWIWKW-IBGZPJMESA-N	424.453	3.726	10	20	HHCD	
CCN(C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1	775258683	IYBBZKGMGLYBGB-QGZVFWFLSA-N	424.570	3.837	10	20	HHCD	
CCOc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1O[C@@H](C)C(=O)N(C)C	775365656	VRVSPCOSKDSWMH-MSOLQXFVSA-N	413.562	3.858	10	20	HHCD	
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	775402797	CNZMUEQIZCVBBG-KUHUBIRLSA-N	417.962	3.799	10	20	HHCD	
CC(C)(C)c1cc(CN[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(O)c(C(C)(C)C)c1	776497256	DCWLXHHCDAMFAB-MBSDFSHPSA-N	423.619	3.813	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(OCC(N)=O)cc1	777822705	JXAMGMVVJNSLNQ-QGZVFWFLSA-N	404.466	3.660	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(C(F)(F)F)nc1	778989255	CJALWQPHYKWYJD-UHFFFAOYSA-N	404.186	3.626	10	20	HHCD	
O=C([C@H](O)Cc1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	779019310	RBRRATWCTLBEFS-AZUAARDMSA-N	423.431	3.522	10	20	HHCD	
CCOc1ccc(CNC2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)c(O)c1	779177990	JFDPJEQLMHPEPV-UHFFFAOYSA-N	414.502	3.849	10	20	HHCD	
CC(C)Oc1ncccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782897131	UQAGZACBQNHATL-UHFFFAOYSA-N	411.502	3.874	10	20	HHCD	
COC(=O)[C@H](c1ccccc1C(F)(F)F)N(C)Cc1ccc(N2CCOCC2)cc1	782900190	GQFKRLKIKGCGEO-FQEVSTJZSA-N	422.447	3.888	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCCCc3nc(-c4ccc(F)cc4)no3)ccc21	784455751	YVQWSJUNXOKAGV-UHFFFAOYSA-N	423.492	3.690	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(OC(C)C)cc2)cc1	786817757	GSNYHRNCDRNLRP-UHFFFAOYSA-N	411.546	3.595	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2scc(C)c2I)c1	787130971	DTIIWPUKJZPINT-SECBINFHSA-N	417.268	3.866	10	20	HHCD	
CCOc1cccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	787216332	XQRQVJJXQKBRLG-UHFFFAOYSA-N	410.514	3.769	10	20	HHCD	
CC[S@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	787948338	CBVDTARXHYSOKL-NDEPHWFRSA-N	415.433	3.607	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1cccc(Br)c1	788318714	QJONZUYZYLTGMG-UHFFFAOYSA-N	413.655	3.927	10	20	HHCD	
Cc1cc(CC(=O)Nc2ccc(-n3nnnc3O)cc2)c(C)n1-c1ccc(Cl)cc1	793952779	YKCARYGKQNCFIF-UHFFFAOYSA-N	422.876	3.610	10	20	HHCD	
O[C@@H]1CCC[C@H]1N1CCC(NCc2ccc3c(c2)CCN3Cc2ccccc2)CC1	796320578	PWHYRJLMQNWIPA-CLJLJLNGSA-N	405.586	3.717	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCCCN2C(=O)c3ccccc3C2=O)c1O	797074775	DYORMXOSHOONGR-CYBMUJFWSA-N	417.303	3.800	10	20	HHCD	
Cc1ccsc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1	799186890	JEKWBEIWUFGVAY-UHFFFAOYSA-N	420.541	3.958	10	20	HHCD	
Cc1ccc(C2=NO[C@@H](CNC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)C2)cc1	800753667	HUVIIXNDSFPDHB-LEWJYISDSA-N	423.513	3.584	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	802265334	RYOWKKXEXUFAET-OAQYLSRUSA-N	409.530	3.895	10	20	HHCD	
CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCOCC1	802625714	RETYGOZXUJSQLF-UHFFFAOYSA-N	409.534	3.616	10	20	HHCD	
COc1cccc(CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1F	802782283	QNGPVNVYBTXABG-GOSISDBHSA-N	420.912	3.907	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CCC[C@H](c4ccccc4)C3)ccc21	803686118	WLPBKOLAUJGSTA-UNMCSNQZSA-N	405.542	3.528	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(NC(=O)OC)c2)cc1F	805093838	FXHOTPJEPUZNPY-UHFFFAOYSA-N	402.470	3.850	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21	806280526	PWUGMFOWOLXSPO-SFHVURJKSA-N	415.584	3.810	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)ccc21	806634724	KOTYYFWHUPWSIZ-AOHZBQACSA-N	405.542	3.783	10	20	HHCD	
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806684833	LGGGEUYNOJBLGY-UZLBHIALSA-N	422.520	3.525	10	20	HHCD	
Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)n2)s1	806911611	OMFNARVNSSZBDA-UHFFFAOYSA-N	424.551	3.811	10	20	HHCD	
CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCc2cccnc21	807677005	KHTVFMMDEMJMDA-UWJYYQICSA-N	408.546	3.641	10	20	HHCD	
Cc1cccn(Cc2c(F)cccc2NC(=O)NCc2ccc(N(C)C)cc2)c1=O	808870073	XLGPSSBQGIUFQB-UHFFFAOYSA-N	408.477	3.732	10	20	HHCD	
Cc1cc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc(N2CCCC2)n1	814178048	ABHRJAYFUZWMRV-UHFFFAOYSA-N	410.522	3.574	10	20	HHCD	
C[C@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)N1CCNC1=O	814772257	RMHGAQXSMRYWRB-WULZRQGASA-N	417.537	3.545	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2c(Br)cnc2s1	815131774	LTJSPBBDGHKNGZ-UHFFFAOYSA-N	407.337	3.887	10	20	HHCD	
O=C(COc1ccc(Cl)cc1)NC1CCC(NCc2ccc3c(c2)CCO3)CC1	816545381	OPBLVQTUBAWKBQ-UHFFFAOYSA-N	414.933	3.871	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OC[C@H]1CCCCO1	914083967	JETZQXSZUCYMSL-LKKYZFDUSA-N	411.570	3.842	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1	918228536	YEKAAZFXQYKUOD-UHFFFAOYSA-N	415.534	3.900	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2ncccc2c1	918309875	JFSUVOGUNWAILY-UHFFFAOYSA-N	402.498	3.822	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1	921275325	BURZBTNCRXVQEF-UHFFFAOYSA-N	407.474	3.899	10	20	HHCD	
CNS(=O)(=O)c1csc(-c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1	1328102613	VLMDQQNGEBFNPK-UHFFFAOYSA-N	414.512	3.781	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)c(C)o1	1338377540	DUGFUHDCGIGBEP-UHFFFAOYSA-N	403.485	3.705	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1CCCN(c2ncnc3sccc23)C1	1346941610	VEAMWMWBUZUYQT-JTQLQIEISA-N	414.878	3.736	10	20	HHCD	
C[C@H]1CCCN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	303034063	UQMQZIYKDOQXMI-ICSRJNTNSA-N	403.567	3.593	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccn(C4CCN(C)CC4)n3)ccc21	489970874	IKCAATNDGWFWED-UHFFFAOYSA-N	409.534	3.620	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCN(C4CCCCC4)C3=O)ccc21	675909659	OUAZAUCCNLBGSC-NRFANRHFSA-N	411.546	3.568	10	20	HHCD	
CN(c1ccccc1)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	728699420	ULQTWDCAFOVSEJ-RGEXLXHISA-N	414.421	3.824	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)c1	730029888	RFWOJRILFINQNC-CQSZACIVSA-N	402.491	3.756	10	20	HHCD	
CCCO[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	731034458	HFHBUQPZGIVFKK-SFHVURJKSA-N	420.509	3.682	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731131038	BTKUVCPWODBAPZ-UHFFFAOYSA-N	415.921	3.840	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1F	731347143	MQHQSMVWGPGRQV-IRXDYDNUSA-N	414.525	3.611	10	20	HHCD	
Cc1csc(C(C)(C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	734941080	AEVYFYJZHANNOH-GASCZTMLSA-N	420.554	3.939	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(-c4nnco4)ccc3C)CC2)cc1	736986342	NJUPTKMTQJCZDR-UHFFFAOYSA-N	407.474	3.798	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Oc2ccncc2)cc1	741096726	DNEILYXUVRAOOA-UHFFFAOYSA-N	414.465	3.505	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H](O)c1c(F)cccc1Cl	741270684	QRIBBFNESOSMBV-SFHVURJKSA-N	423.941	3.565	10	20	HHCD	
COc1ccc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1	741711424	MGUSTGPOWUWZGA-UHFFFAOYSA-N	412.490	3.664	10	20	HHCD	
O=C(CSCc1ccccn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806680	UTEAXSVYYZQEKK-OAHLLOKOSA-N	407.486	3.701	10	20	HHCD	
CC(C)(C)c1nc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2s1	743730958	JELDKFLJQJQRFE-UHFFFAOYSA-N	419.528	3.923	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(Oc2ccccn2)c1	743958378	UFXUKGVDYDHBEJ-UHFFFAOYSA-N	417.465	3.713	10	20	HHCD	
CN(CC[C@H]1CCCCN1C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	745799041	FFJWVILQSWLTPG-GOSISDBHSA-N	424.536	3.773	10	20	HHCD	
COCCN(CCOc1ccc2c(C)cc(=O)oc2c1)c1ccc(OC)c(OC)c1	746475568	WPCAHIGZNATZBA-UHFFFAOYSA-N	413.470	3.650	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](CC(N)=O)C2)c(C)n1-c1ccccc1Br	746655271	SIBLJDHHCOQRBA-OAHLLOKOSA-N	418.335	3.584	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CC[S@](C)=O)c(C)n1-c1ccc(Br)cc1	749188800	MVSNMINZFMPUJY-MCFWBGNESA-N	411.365	3.744	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3cccc(CN4CCCCC4=O)c3)ccc21	750308288	LJUIWRHTVXKQQU-UHFFFAOYSA-N	406.530	3.903	10	20	HHCD	
COc1cc(CCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc(OC)c1	751306048	PCSHAHAUMFHZTG-UHFFFAOYSA-N	402.454	3.985	10	20	HHCD	
COc1ccc2[nH]cc(CC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c2c1	751407375	UUEHIKZGOUQRFV-JOCHJYFZSA-N	421.541	3.993	10	20	HHCD	
CC(C)Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	752808324	JMZRSJZNOPBNDM-MRXNPFEDSA-N	404.461	3.902	10	20	HHCD	
COc1ccc(N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)cc1F	753857426	MAKBNUOCDZIQAR-UHFFFAOYSA-N	419.298	3.567	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Br)ccc1O	756544829	WDQMYYMLFVSNPP-CMPLNLGQSA-N	402.235	3.523	10	20	HHCD	
CCc1cc(N2CCC[C@H](N[C@@H](C)c3cc(Br)c(F)cc3O)C2)ncn1	756711748	NESZMDDZHCODAT-JSGCOSHPSA-N	423.330	3.966	10	20	HHCD	
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1NC(=O)OC(C)(C)C	757634766	MSFGDYWXNVEQTB-FUHWJXTLSA-N	422.545	3.727	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CN(C)Cc2ccccc21	757743164	XBTWMUIYMYQVLP-SFHVURJKSA-N	418.335	3.873	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-c2nc(C)co2)c1	759022692	PJBUPQICULAPHQ-UHFFFAOYSA-N	406.486	3.703	10	20	HHCD	
Cc1ccc(S(=O)(=O)c2ccc(COC(=O)/C=C\c3ccc(O)c(O)c3)cc2)cc1	759597884	UCWVYCZMLOMXPH-QPEQYQDCSA-N	424.474	3.996	10	20	HHCD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	759897170	NRPCJVBQUZOMGF-UHFFFAOYSA-N	420.494	3.615	10	20	HHCD	
C[C@@H](NC(=O)NCC1(c2ccc(F)cc2F)CC1)c1ccc(N2CCOCC2)cc1	761670259	QHFGVEYBGASNRU-MRXNPFEDSA-N	415.484	3.893	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c(C)c1CC(=O)O	761995854	OHKOIUPYNNYQST-UHFFFAOYSA-N	407.488	3.533	10	20	HHCD	
CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n[nH]1	763035943	WEPGIJLFVJRLQC-UONOGXRCSA-N	422.480	3.559	10	20	HHCD	
CCCCNc1ccccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	763961667	BOPCDUFURMVAKW-IBGZPJMESA-N	408.546	3.530	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(OC)c(O)c(OC)c1	764451370	YCMFJKACZAJHRC-UHFFFAOYSA-N	410.264	3.540	10	20	HHCD	
COCCOc1ccc(Cl)cc1C(=O)NCc1cccc(Br)c1O	765736590	PFBDUMHEUBVEHZ-UHFFFAOYSA-N	414.683	3.763	10	20	HHCD	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1O	765764468	KPDDQCHXINCAPT-AWEZNQCLSA-N	415.328	3.710	10	20	HHCD	
O=C(CN1CCC[C@H]1c1ccncc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	767572726	ZQZBXHCLCVAVJU-QFIPXVFZSA-N	411.461	3.633	10	20	HHCD	
CCCCNC(=O)[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769209180	QLRZTERJPGIMIE-IBGZPJMESA-N	402.539	3.713	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2c2ncnc3sc(C)cc23)c1	771012515	MBHWOHAWBAADTA-SUMWQHHRSA-N	412.515	3.560	10	20	HHCD	
COc1ccc(N2CCCN(Cc3nc(COc4cc(C)cc(C)c4)no3)CC2)cc1	771795729	ILVNLAWYLORQGZ-UHFFFAOYSA-N	422.529	3.986	10	20	HHCD	
Cc1nc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cs1	772855786	AUJSNBOJKQBBDU-OAHLLOKOSA-N	412.538	3.558	10	20	HHCD	
C[C@H](NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(N(C)C)cc1	773001654	VWYNZAZECFZBII-ZDUSSCGKSA-N	403.408	3.843	10	20	HHCD	
CC(C)Oc1c(F)cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F	773844794	HDXMLXXMKMPTRL-CYBMUJFWSA-N	405.445	3.634	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(c2cn[nH]c2)CC1	775439243	MXUIYYOHIIQKAK-KRWDZBQOSA-N	419.476	3.569	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN3C(=O)[C@@H]4c5ccccc5CCN4C3=O)cc2F)C[C@@H](C)O1	777606006	ZCZXCONGOKJYIT-MCFFVMPBSA-N	423.488	3.501	10	20	HHCD	
Cc1nc(N2CCOCC2)ccc1N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl	777704548	LFNGVCPCHICBLY-INIZCTEOSA-N	416.953	3.890	10	20	HHCD	
CC(C)[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1	778484751	BFBROIPSDDUHMQ-KFXIKWRMSA-N	424.613	3.613	10	20	HHCD	
CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	780896453	NLVNBLDSPWGWLR-HXUWFJFHSA-N	411.498	3.995	10	20	HHCD	
Cc1ncc([N+](=O)[O-])n1CCN(Cc1cccs1)c1ccc2c(c1)OCCO2	782721786	OHEKIBGGHXKLSU-UHFFFAOYSA-N	400.460	3.639	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CNCCCc2nc(-c3ccc(F)cc3)no2)c1O	784621339	BMISISAWJBUYBI-UHFFFAOYSA-N	406.801	3.865	10	20	HHCD	
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	784676096	XWPNWUMCVNIPQZ-UHFFFAOYSA-N	423.561	3.892	10	20	HHCD	
Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)c1	785295495	IJQRFICUYMDHRH-MRXNPFEDSA-N	420.465	3.884	10	20	HHCD	
CC[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ncc[nH]1	785635400	SAPJVFAOOXWFQD-UROBUVALSA-N	420.585	3.720	10	20	HHCD	
COC(=O)[C@@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)[C@H]1C	787241867	HRYZVJWEDFQCDS-WMLDXEAASA-N	407.466	3.857	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1	788910600	CQADKKIZTJVXIL-YADHBBJMSA-N	405.542	3.746	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1	788975499	POCWGMQIHRRVPV-JOCHJYFZSA-N	409.530	3.521	10	20	HHCD	
O=C(NCc1cc(Br)ccc1OC(F)F)c1c(F)ccc(O)c1O	789966847	MMZWGBVPSMQLQH-UHFFFAOYSA-N	406.154	3.531	10	20	HHCD	
C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	791979926	GMVGNTQKOGXAEA-NSHDSACASA-N	422.824	3.628	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)c1ccccc1	794683072	GGZYVYZQVXYTKQ-IBGZPJMESA-N	413.537	3.750	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCCOC[C@@H]3CCOC3)cc2Cl)C1	799933126	FEVKYUGQFONOLH-MJGOQNOKSA-N	423.985	3.819	10	20	HHCD	
CN(Cc1cnn(C)c1)C(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1F	799966875	DINJYCVWWQOQGR-UHFFFAOYSA-N	414.868	3.514	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNS(=O)(=O)C[C@@H]3CCCCO3)cc2Cl)C1	800148479	MJPWMZOWLCRJMP-RDJZCZTQSA-N	400.972	3.565	10	20	HHCD	
COc1cc(N2CCN(C[C@@H](OC)c3ccc(Cl)cc3)CC2)cc(OC)c1OC	801540689	CIWPKTUMHQUEKJ-OAQYLSRUSA-N	420.937	3.876	10	20	HHCD	
CCn1c(CCCc2ccccc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1	802060485	HFYHVCTTZPHSNS-UHFFFAOYSA-N	423.536	3.948	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)c(O)c1	806801299	URLMSCHLERREST-UHFFFAOYSA-N	420.185	3.899	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CC)CSc1ccccc1	807688399	QTFLCCCWSHYGCA-GOSISDBHSA-N	400.544	3.818	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@H](C2CCC2)C1	813661394	KNZYFIIBCJZTNF-MSOLQXFVSA-N	423.504	3.715	10	20	HHCD	
COc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1OC	819427948	WBEJGRMGMRYKBT-UHFFFAOYSA-N	405.516	3.933	10	20	HHCD	
Cc1cc2c(cc1C)[C@H](C(=O)N[C@@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CO2	857472891	PFUGHFJUCOQPND-UYAOXDASSA-N	414.933	3.919	10	20	HHCD	
CC(C)S(=O)(=O)c1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	915146200	PKOJJXVGFCZFDF-UHFFFAOYSA-N	400.544	3.740	10	20	HHCD	
Oc1ccccc1CN(C[C@H](O)COc1ccc2ccccc2c1)C[C@H]1CCCO1	916633380	ZWSCGLWJSOZUPW-LADGPHEKSA-N	407.510	3.966	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)nc3)cc2F)C[C@@H](C)O1	917710427	MCZXXHRCHYYCPC-BETUJISGSA-N	411.399	3.783	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC3CC(C)(C)NC(C)(C)C3)cc2F)C[C@H](C)O1	918147961	OAMWZBGHWYRTRM-HOTGVXAUSA-N	420.573	3.548	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OC(F)F)c1	918211442	ANZILZGOAZYWDS-AWEZNQCLSA-N	423.435	3.824	10	20	HHCD	
COc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	918217313	AOBNWRJPOSJCRE-OAQYLSRUSA-N	413.493	3.718	10	20	HHCD	
CCN(CC)c1ccc(CN(C)Cc2nnnn2-c2ccc(OC(F)F)cc2)cc1	918764056	VBRDMWMNNBJEMK-UHFFFAOYSA-N	416.476	3.742	10	20	HHCD	
CCCCN1C(=O)C[C@H](C(=O)NCc2ccc(N(C)C)cc2)[C@H]1c1ccc(OC)cc1	22694427	HZPTZYFUNIFQOV-LADGPHEKSA-N	423.557	3.767	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(N3CCCC3)nn2)c(C)n1-c1ccccc1	110506185	IKQKUZAZXOKREA-UHFFFAOYSA-N	404.470	3.524	10	20	HHCD	
C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	303602112	NWOPCMLDHJUDCT-XMMPIXPASA-N	411.521	3.926	10	20	HHCD	
Cc1[nH]c2ccc(CNC(=O)C(=O)NCc3c(C)c4ccccc4n3C)cc2c1C	557051827	GDXQKGDLPYQRMO-UHFFFAOYSA-N	402.498	3.517	10	20	HHCD	
CCCC[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(OC)cc1	803688132	VQYMWQUSQVWDCW-JOCHJYFZSA-N	423.557	3.742	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@]34CCOC4=O)cc2Cl)C1	800718721	CVXNXUARRNQUGW-QVKFZJNVSA-N	405.926	3.567	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@H](CO)c2ccc(Cl)cc2)c1O	808430246	DQNODYCEPDBYDR-ZDUSSCGKSA-N	400.700	3.682	10	20	HHCD	
CC[C@@H](NCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1O	806134956	DXJZSGBWPDBYCN-HXUWFJFHSA-N	401.938	3.825	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1	808094276	IJMWAUHMJZGCDK-UHFFFAOYSA-N	403.456	3.660	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1coc(C2CCOCC2)n1	800846437	MEHDNRBWPQFHTL-UHFFFAOYSA-N	402.406	3.596	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCCCc1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1	803169599	IAHRXLGNOYSQHW-HNNXBMFYSA-N	421.463	3.698	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC=C(c4ccncc4)C3)cc2F)C[C@@H](C)O1	804969211	OBCYKBYHJZVLKK-HDICACEKSA-N	424.520	3.833	10	20	HHCD	
O=C(OCc1ccccc1)N1CCC(CNCc2ccc(N3CCOCC3)cc2)CC1	809607976	DZEMSOLZBPMQOP-UHFFFAOYSA-N	423.557	3.662	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)[C@H]3CC(C)(C)OC3=O)cc2Cl)C1	813744187	CLWCNEUPSJCTNH-KDOFPFPSSA-N	407.942	3.812	10	20	HHCD	
C[C@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Br)cc(F)c1O	812739318	BVSNMYAQZJJTDM-CMPLNLGQSA-N	411.246	3.889	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(C4CCC4)c3)CC2)cc1	812959923	WXUDEUZWAQNNJI-UHFFFAOYSA-N	407.514	3.640	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(F)c1Br)c1ccc(N2CCOCC2)cc1	814627319	HUMVTBJJQGLPGQ-CYBMUJFWSA-N	407.283	3.916	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccn(-c2ccccc2)n1	726567099	FPJZTBHCSMSGDS-UHFFFAOYSA-N	412.440	3.873	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H](c2ncc[nH]2)C1	727941899	LHSHVCNCUJZKEQ-HNNXBMFYSA-N	419.476	3.569	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)ccc1F	737381358	LQRAONCJQUFTCC-UHFFFAOYSA-N	419.459	3.601	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1	731479938	CWDBOJNVEOEOTR-LJQANCHMSA-N	403.567	3.854	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cc1F	735755786	XRMWAABUSBBTIY-KRWDZBQOSA-N	400.281	3.731	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)CC2)cc1	734173821	SYVUACGQSVAQDC-QHCPKHFHSA-N	422.573	3.582	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1cc(Br)cnc1OCC(F)(F)F	734212107	IHPUCGXXJNVUMY-UHFFFAOYSA-N	420.185	3.813	10	20	HHCD	
COc1ccc(N(CC(=O)NC[C@@H]2Cc3ccccc3O2)Cc2ccco2)cc1F	739926364	MAEFLWKKDQCDLR-IBGZPJMESA-N	410.445	3.554	10	20	HHCD	
COC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)nc1	918946783	XIFVEUKVTFOFFA-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	741071203	WOPIUSUNXHIKHO-UHFFFAOYSA-N	415.471	3.591	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(Br)cc1F	740915755	RBKNWNUNULREJP-UHFFFAOYSA-N	404.283	3.964	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1C(=O)O	917927877	KAJDNIQJWKIFIC-UHFFFAOYSA-N	404.532	3.667	10	20	HHCD	
Cc1cc(N(C)C)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	918311662	XFDDTARMMWXRGW-UHFFFAOYSA-N	408.546	3.648	10	20	HHCD	
C[C@@H](Oc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cn1)c1ccccc1	919765794	KBOLSHLSFKSZBU-LJQANCHMSA-N	417.509	3.988	10	20	HHCD	
CN(CC(F)(F)F)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	915175274	UFSIJYRFKSJHEB-DHZHZOJOSA-N	408.492	3.750	10	20	HHCD	
CC(C)CN1C(=O)/C(=C/N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C(=O)NC1=S	920980333	JFLAEQFRYJATEF-CAXXOGMASA-N	418.321	3.566	10	20	HHCD	
COCCOc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1	921237098	DRPRWRVSQBOEMR-UHFFFAOYSA-N	419.909	3.728	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cnc(Cl)c(C)c1	751467484	QOBRCZSKAHFLRG-UHFFFAOYSA-N	419.728	3.722	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c(C)n1-c1cccc(Cl)c1	753689537	KFTOJKODQGIXMK-VQTJNVASSA-N	420.962	3.929	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3occc3Br)cc2F)C[C@@H](C)O1	751238366	FXEWEBOXIGWRHL-TXEJJXNPSA-N	411.271	3.725	10	20	HHCD	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	759023912	YXDMLILLRTXCKE-SFHVURJKSA-N	408.546	3.695	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3nc(-c4cccs4)oc3C)CC2)cc1F	753742861	XBJQYKGKMJDRKX-UHFFFAOYSA-N	401.463	3.822	10	20	HHCD	
COc1ccc(OCCCS(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1	758163095	NKBMNBVSVFPNEJ-UHFFFAOYSA-N	406.287	3.918	10	20	HHCD	
C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	750440180	KFVMKNJQJLKUSL-INIZCTEOSA-N	404.555	3.587	10	20	HHCD	
CCC1(CNC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)CCCC1	759286140	DGMUCOHMULJZTE-UHFFFAOYSA-N	405.539	3.514	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)C(C2CC2)C2CC2)NC(=O)OC(C)(C)C)cc1	753620784	MJXQAAIVIYEEOJ-IBGZPJMESA-N	401.551	3.871	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CC(C)(C)OC2=O)c(C)n1-c1ccc(Br)cc1	762037657	HEXNOIROJURTHX-MRXNPFEDSA-N	405.292	3.681	10	20	HHCD	
C[C@@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(N2CCCCC2)c(F)c1	764882583	NLIFROSTOMWYAX-AUSIDOKSSA-N	411.565	3.886	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@H]3CCSc4ccc(Cl)cc43)cc2)CC1	765979821	VAXPPZLKNDRVOZ-IBGZPJMESA-N	423.003	3.902	10	20	HHCD	
COc1cc(Cl)cc(CN2CCN(C(=O)Cc3ccccc3Cl)CC2)c1O	761195166	HXQMXNJELUSJQV-UHFFFAOYSA-N	409.313	3.595	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NC3CCN(CC(F)(F)F)CC3)C2)cc1	766238760	YQAUHBKZDHKUJA-OAHLLOKOSA-N	407.427	3.873	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1	769878071	ZPAANFUNGDVNDN-ZJSXRUAMSA-N	419.569	3.881	10	20	HHCD	
CCOC(=O)[C@H](Cc1cccc2ccccc12)NCc1ccc(N2CCOCC2)cc1	763371216	ONMJHJQNQOELTE-VWLOTQADSA-N	418.537	3.940	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1F	762745297	IWVRFAAFNIMUBD-RLLQIKCJSA-N	421.557	3.786	10	20	HHCD	
O=C1CSc2ccc(NC(=O)NCc3cccc(Br)c3O)cc2N1	765235946	VLGIORCGGZYMBP-UHFFFAOYSA-N	408.277	3.521	10	20	HHCD	
COc1ccc2[nH]c(C)c(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2c1	1116340263	IAQJOZBHPFOCCB-UHFFFAOYSA-N	407.514	3.624	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCc2nnc(S)n2C)cc1	772689000	SWGFZMRPCUUYLI-UHFFFAOYSA-N	409.519	3.558	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](OCC2CC2)C1	779604461	KIOIIXOQEPTCNB-YLJYHZDGSA-N	423.504	3.857	10	20	HHCD	
CCOc1ccc(-c2cn(C3CN(Cc4cc(Cl)cc(F)c4O)C3)nn2)cc1	779613867	QEGNEMKAFDPPTR-UHFFFAOYSA-N	402.857	3.899	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)CC(F)(F)F)c(C)n1-c1ccccc1Br	771194087	BRYXTBOOOAXQNI-GFCCVEGCSA-N	419.241	3.900	10	20	HHCD	
CC(C)C[C@H](C)n1nccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	775766717	RPPKRIRSGJQUBM-INIZCTEOSA-N	417.529	3.912	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)c1	772489767	MSKTVDSEYJUHOQ-CQSZACIVSA-N	423.494	3.763	10	20	HHCD	
C[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	775630195	IVBSCSUYUOTWRT-SJORKVTESA-N	424.513	3.709	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cnc(Cc2ccccc2F)s1	772349323	JLAZTZLIKXIGMK-UHFFFAOYSA-N	411.502	3.640	10	20	HHCD	
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1	775831076	OZBHVVOEZHFWOM-JTSKRJEESA-N	411.546	3.784	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCOc2c(F)cccc21	778787218	FWZDGOFOHZAKHW-OAQYLSRUSA-N	413.493	3.718	10	20	HHCD	
CC[C@@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cnn(C)c1	777302498	RAXZFZREEOJQBB-UXHICEINSA-N	401.555	3.793	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@@H]1c1ccccc1Cl	788910614	CXENQLNVIAZFBY-OAQYLSRUSA-N	411.933	3.920	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1	785428466	MWPSHNSNIATYBX-UHFFFAOYSA-N	401.510	3.598	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccnc2Cl)cc1	782423609	CIOVGXOTMGCUTM-UHFFFAOYSA-N	412.877	3.562	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1F	799249775	SIEKAUMGROEYJQ-UHFFFAOYSA-N	410.276	3.988	10	20	HHCD	
Cc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)S(C)(=O)=O)cc1	798074304	XJWCBRVDHDISHS-CSODHUTKSA-N	417.575	3.596	10	20	HHCD	
CO[C@@H](C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C)c1cnn(C)c1	798774060	KJIBWLCNNDAYDU-JOCHJYFZSA-N	409.486	3.558	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C	797651964	VDLGCSMOMCTNDR-LLVKDONJSA-N	402.401	3.529	10	20	HHCD	
COc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(N2CCCCC2)cc1	796403556	UNRWROFYHMKSJH-UHFFFAOYSA-N	403.548	3.548	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1	793607942	GAEYPBOJORQEIY-YADHBBJMSA-N	410.514	3.557	10	20	HHCD	
C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1cc2c(cc1O)CCCC2	794829362	RDPKUFJBBMYVQM-HXPMCKFVSA-N	403.320	3.911	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H](F)CC3CCCCC3)CC2)cc(OC)c1OC	793813983	FKCRDTAUYIBIFC-SFHVURJKSA-N	408.514	3.670	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](O)c1c(F)cccc1Cl	1318980665	XHWXQPLPORQYTG-SPLOXXLWSA-N	409.908	3.582	10	20	HHCD	
CC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1	1846215598	AMNKBIUYDQLLHB-SHTZXODSSA-N	420.937	3.785	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1)C1CCCCC1	109298320	JAWRKEPJRUKVHT-UHFFFAOYSA-N	416.525	3.931	10	20	HHCD	
Cc1nc(-c2ccccn2)nc(NCc2ccc(N3CCC(CO)CC3)cc2)c1C	111228618	FNSSJZMUJCGMLK-UHFFFAOYSA-N	403.530	3.976	10	20	HHCD	
CCOc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1[N+](=O)[O-]	115773713	VLONAXRRFUIXPP-UHFFFAOYSA-N	424.501	3.778	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(COCC2CC2)c1	65707873	QBXCGWFDQWDSIS-UHFFFAOYSA-N	409.530	3.666	10	20	HHCD	
Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)nnn1-c1ccc(OC(C)C)cc1	303322586	IBNDBZNRXMRARL-UHFFFAOYSA-N	407.518	3.701	10	20	HHCD	
Cc1cc(C)n(-c2ccc(N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nn2)n1	301421240	CTHOOZKKXPRVEK-INIZCTEOSA-N	414.460	3.961	10	20	HHCD	
COc1ccc(N2CCCN(CCC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1	97476988	RKFVAVZUFHIMMO-XMMPIXPASA-N	407.558	3.791	10	20	HHCD	
CN(C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1CCCc2ccccc21	255067362	RVTNKPZVKHSVBK-GGAORHGYSA-N	408.542	3.909	10	20	HHCD	
CCc1ccc2occ(C(=O)N3CCN(c4cc(OC)c(OC)c(OC)c4)CC3)c2c1	803105855	SBPTXHWQRBLHQE-UHFFFAOYSA-N	424.497	3.983	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Cn4ccnc4)cn3)ccc21	557716551	UJGURIMTYWGDAO-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccc(OC)cc1Cl	806647463	SJGLEIDNCPKUPW-UHFFFAOYSA-N	418.921	3.542	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	807837146	CPLGANVGWNPFDR-SNVBAGLBSA-N	415.223	3.647	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@H](O)c1ccc(C(F)(F)F)cc1	806958316	GDRGFZKOVSUGCU-ZDUSSCGKSA-N	405.467	3.677	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1	807289325	PVSUKPJIRSEAJS-VXKWHMMOSA-N	403.526	3.522	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1	801249500	KXEGTTUMMIFOLF-ALCCZGGFSA-N	423.387	3.520	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1	804684614	KXPYKHVICWEIJF-NRFANRHFSA-N	413.949	3.988	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CC[C@@H](CSc2ccccc2)C1)c1ccc(N(C)C)cc1	807673401	SJGVDARUIIVRAG-QZTJIDSGSA-N	411.571	3.571	10	20	HHCD	
C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(N2CCOCC2)cc1	812716651	DKGZNCMFKGSGOY-GHTZIAJQSA-N	403.567	3.648	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3conc3Cc3ccccc3)CC2)cc1	815112865	GDCQHMSWRHWVID-UHFFFAOYSA-N	420.557	3.576	10	20	HHCD	
Cc1ccc(=O)n(CC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)n1	727655434	SJEDUHXVMACPFJ-UHFFFAOYSA-N	405.376	3.741	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)CC2)cc1	726562804	WHHLVVAPHXHWSK-AWEZNQCLSA-N	411.527	3.527	10	20	HHCD	
O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N(Cc1ccco1)Cc1ccccc1O	726098208	VHLQGJMELGOOIU-HNNXBMFYSA-N	411.424	3.581	10	20	HHCD	
Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc(C)n(-c2ccccn2)c1C	727388232	UFJXEQFTRXLFQD-UHFFFAOYSA-N	402.458	3.971	10	20	HHCD	
O=C(Nc1ccccc1Cl)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726725589	BWWSMBDDMRXGPM-UHFFFAOYSA-N	423.847	3.665	10	20	HHCD	
COC(=O)NC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C	729739164	ZXLNTZUYGVOHMG-UHFFFAOYSA-N	400.475	3.571	10	20	HHCD	
CCNC(=O)COc1ccc(CNCc2cc(-c3ccccc3)ccc2O)cc1OC	725845693	GKZRASJJKXZCAS-UHFFFAOYSA-N	420.509	3.873	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1C	736335430	GIPMPAPYACOTSN-UHFFFAOYSA-N	415.559	3.668	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N3CCC4(CCCC4)CC3)CC2)cc1	738968967	IXWLRFDOCYTJIK-UHFFFAOYSA-N	414.594	3.573	10	20	HHCD	
CCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	735517060	GYXGCEPDJFIMDP-NRFANRHFSA-N	410.514	3.696	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	734496526	QGVWXGKHYPJYNK-UHFFFAOYSA-N	404.580	3.796	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc4c(cc3Cl)OCO4)CC2)cc1	918032850	IQKZCZJSWJOQFH-UHFFFAOYSA-N	403.866	3.822	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)c2cnn(C(C)(C)C)c2)cc1	917095669	PBNBWQIZPZMURH-UHFFFAOYSA-N	408.502	3.709	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(-c2ccccc2)ns1	748023295	AIGIORHIMWJPTI-UHFFFAOYSA-N	411.502	3.840	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	741678572	VNZDKASUUUMOJF-INIZCTEOSA-N	414.506	3.909	10	20	HHCD	
COCCn1cc(S(=O)(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)cn1	747750022	DXTQZPMWUNUSIE-UHFFFAOYSA-N	420.560	3.652	10	20	HHCD	
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc(O)c(O)c1	843586082	MYECPOAJMKTEQP-UHFFFAOYSA-N	418.478	3.775	10	20	HHCD	
COc1cccc(CN(C[C@H]2CCCO2)C(=O)NCc2ccc(N(C)C)c(F)c2)c1	746977968	BLNSWEUDEUQCKS-HXUWFJFHSA-N	415.509	3.791	10	20	HHCD	
CCCCn1nccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	915182267	HGJUITKDMYGLFP-UHFFFAOYSA-N	418.409	3.619	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCCN(Cc2ccccc2)C1	740909711	ISFRKSGEHLXOPT-HSZRJFAPSA-N	404.558	3.774	10	20	HHCD	
COCc1cccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	748025175	POQGJPSAGKGLGZ-UHFFFAOYSA-N	418.496	3.653	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1C	918585305	PDYFEGNWESMRKY-DEOSSOPVSA-N	416.481	3.709	10	20	HHCD	
CC[C@@H]1CO[C@@H](C)CN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	915276235	PQCAUBSXBPLVJA-IYFMVNHVSA-N	424.613	3.755	10	20	HHCD	
CC(C)N(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccc(N(C)C)cc1	917075922	ARVVZXKTWWGFPZ-QFIPXVFZSA-N	408.590	3.606	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c1O	745482792	LXSXFTVUBWOESO-UHFFFAOYSA-N	417.509	3.963	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1	747210604	SPBKKHCAMICNIN-QFIPXVFZSA-N	408.498	3.883	10	20	HHCD	
CCn1c(-c2ccc(N3CCCCC3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	916369013	BSSXLVSVRVKZKP-UHFFFAOYSA-N	412.559	3.964	10	20	HHCD	
COc1cc(NC(C)=O)ccc1[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1	747856975	KHQOYOZJEUQREQ-KRWDZBQOSA-N	411.546	3.713	10	20	HHCD	
COc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)cc(OC)c1OC	759887470	UWTNRRKOZFBSIV-UHFFFAOYSA-N	406.910	3.567	10	20	HHCD	
C[C@@H]1C(=O)Nc2cc(C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2N1C	750243093	WUJLHNWBHCFCSW-OAHLLOKOSA-N	405.454	3.605	10	20	HHCD	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCCCSc1nccs1	759591884	UBVLUYRZICUMPU-AWEZNQCLSA-N	402.549	3.609	10	20	HHCD	
O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754549307	XALCOMIHVIJXFF-UHFFFAOYSA-N	407.429	3.829	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)CC[C@@H]2C)c(C)n1-c1ccc(C(C)C)cc1	762507513	KMQRIPOXWZPYSZ-INIZCTEOSA-N	402.560	3.867	10	20	HHCD	
C[C@@H](CCCOc1ccccc1C(N)=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	768686136	ICXAHEPOTXUBTK-RBUKOAKNSA-N	411.546	3.520	10	20	HHCD	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1Br	767880444	ZQCCVPLZDOAXPI-XYOKQWHBSA-N	400.319	3.824	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1Oc2ccccc2O[C@@H]1C	769289955	GQSWABQAOXONAQ-XIKOKIGWSA-N	406.276	3.732	10	20	HHCD	
COc1cccc(CNc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c1O	763495245	AKXHAVVHDMPDHJ-OAHLLOKOSA-N	401.482	3.965	10	20	HHCD	
CSC[C@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	767936224	ISDHAMQYFCVGTM-MRXNPFEDSA-N	417.497	3.579	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)c(F)c1	765322878	NDWYJRXDWHDRAZ-FUHWJXTLSA-N	416.493	3.635	10	20	HHCD	
Cc1ccc(-n2ccnc2SCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C	773739084	AGMVBRLADYNQRX-MRXNPFEDSA-N	411.527	3.740	10	20	HHCD	
Cc1sc2ncc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)c(=O)n2c1C	775725695	LSWDJUUTFVURRY-UHFFFAOYSA-N	410.543	3.539	10	20	HHCD	
Cc1ccc(C)c(-n2ncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2C)c1	772060127	YEXHIUMARMVGCA-UHFFFAOYSA-N	422.504	3.703	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ncccc3C(F)(F)F)cc2F)C[C@@H](C)O1	770674355	GQAZZJLPZQYZPQ-BETUJISGSA-N	411.399	3.783	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1N1CCCCC1	770379701	KNHHTQBQWSWFQQ-SFHVURJKSA-N	410.522	3.960	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1	773766988	FNEYJZHRIUCYJH-ZDUSSCGKSA-N	407.426	3.574	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)c(Cl)cc1O	774349503	SWYNPIFHIITSCB-SNVBAGLBSA-N	419.286	3.732	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](c3ccc(Br)cc3)C2)c1O	774851533	FKCHXWZLVJLHQZ-MRXNPFEDSA-N	423.263	3.645	10	20	HHCD	
Cc1c(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1-c1ccccc1	772449092	DBGLIVAIXNQQGT-UHFFFAOYSA-N	423.492	3.603	10	20	HHCD	
CCOc1cccc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1O	779191312	OYYRBGDZEPAVMR-MRXNPFEDSA-N	404.532	3.524	10	20	HHCD	
COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC	775836220	LIUDQQIFUVQPCS-LAUBAEHRSA-N	411.546	3.784	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)[C@@H]1Oc1ccccc1	776161357	MUONEVWGHOEXPL-ZACQAIPSSA-N	407.561	3.550	10	20	HHCD	
CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cnn(C)c1	777302699	RAXZFZREEOJQBB-VQTJNVASSA-N	401.555	3.793	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/c3cc(C)c(C)cc3C)cc2)CC1	786258287	FLGAAHPBNMSLPU-JXMROGBWSA-N	405.542	3.610	10	20	HHCD	
CCCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1	785084830	FRQFYKSZWNSGBC-UHFFFAOYSA-N	418.541	3.934	10	20	HHCD	
Cc1ccc([C@@H]2CCCCCN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)o1	788913847	ZVMUGUUPNPPYMQ-NRFANRHFSA-N	409.530	3.948	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1OC[C@H]1CCCCO1	789834394	GXBDVBMIHSAQKI-NVXWUHKLSA-N	400.475	3.798	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)cc1	788951742	RTGOYPUCHPHMNR-JOCHJYFZSA-N	411.521	3.864	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1	780934822	CDCUJKCMGPWMST-UHFFFAOYSA-N	410.376	3.604	10	20	HHCD	
C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1c1ccccc1	788911004	MLUPKVRJLZZCHC-XXBNENTESA-N	405.542	3.555	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1	788543894	ZTEHPHKGRRRHKJ-ZDUSSCGKSA-N	424.423	3.883	10	20	HHCD	
Cc1cc(O)c(CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1C(C)C	789468076	LCSUWVMWRASFPX-UHFFFAOYSA-N	402.560	3.633	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1	799886407	ZTASNXIOWZVFGO-IBGZPJMESA-N	410.562	3.894	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1	793690959	ZDHWYVUXKCIKOR-MWTRTKDXSA-N	412.486	3.627	10	20	HHCD	
COc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cccc1[N+](=O)[O-]	793578567	TVBWTMSWDUNOEJ-ZDUSSCGKSA-N	421.400	3.604	10	20	HHCD	
CC(C)Cc1ncc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	791948656	FFDDBLHTPJQYHN-HZPDHXFCSA-N	415.513	3.750	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CCN(C4CC4)C3)cc2Cl)C1	799940008	RLXJDNIVTOGYNW-AEFFLSMTSA-N	404.986	3.860	10	20	HHCD	
CCOc1ccc(N2CCN(CC(=O)Nc3ccccc3Br)CC2)cc1	1319612326	WMEJQXSQZIQFDP-UHFFFAOYSA-N	418.335	3.609	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc2nnc(C(F)F)n2c1	1319275097	QJOPAOZGLYZZCC-UHFFFAOYSA-N	405.368	3.629	10	20	HHCD	
O=C(NC1(c2ccc(NC(=O)C3CC3)cc2)CCC1)c1cc(O)c(O)c(Cl)c1	1792069300	GUPJWFDKYZBNKD-UHFFFAOYSA-N	400.862	3.909	10	20	HHCD	
C[C@@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	6291379	FJJIKQDJUHYMCR-HUUCEWRRSA-N	403.434	3.689	10	20	HHCD	
O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1CCCN1CCOCC1	14198039	GGADGVRTWGJSIF-QINSGFPZSA-N	416.490	3.629	10	20	HHCD	
Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)NCc3c(C)c4ccccc4n3C)n2)c1	472243213	WFFVCWYTAHVNJM-HNNXBMFYSA-N	403.490	3.536	10	20	HHCD	
O=C(NCCc1ccccc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726611873	YDVFKYMGWFGRIK-UHFFFAOYSA-N	407.436	3.938	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1	726709441	VLSMWGQSHDGKED-NMNUPHIUSA-N	409.530	3.804	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3ccc(Br)s3)cs2)cn1	727245800	NXVKPRYUKCCZMQ-UHFFFAOYSA-N	419.351	3.651	10	20	HHCD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)NCc1ccc(N2CCC(CO)CC2)cc1	727852610	ZWOALKHRNVYQGI-UHFFFAOYSA-N	411.933	3.889	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)C[C@@H](c3ccccc3)C(C)C)CC2)cc1	728518434	IMARTTYOLRUAMS-XMMPIXPASA-N	409.574	3.763	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)Nc3cc(C)ccc3F)cc2F)CC1	730157095	OMVDCULFVZMJDC-UHFFFAOYSA-N	404.530	3.902	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)s3)cc2F)CC1	730193837	CFACNPLFMKJNMO-UHFFFAOYSA-N	409.958	3.932	10	20	HHCD	
CC(C)(C)Cc1nc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)ccc2o1	731231401	OBOWZEDTJFXJSQ-UHFFFAOYSA-N	417.487	3.746	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1F	731346694	QDMUMSMQHSCTGM-QFIPXVFZSA-N	413.518	3.917	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)NC[C@H]1CCN(c2ccccc2)C1	731845023	UFNDXVZNQUOTPH-HXUWFJFHSA-N	419.525	3.630	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cnn1-c1ccccc1F	731859143	SSSBCWVPUUQUTD-GOSISDBHSA-N	409.461	3.847	10	20	HHCD	
CCOc1cc(CCCNC(=O)N[C@@H](C)c2cc(OC)ccc2O)ccc1OC	736403314	SROHCAJGLOXCQM-HNNXBMFYSA-N	402.491	3.801	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(-n3cccn3)n2)cc1	736465072	PRPBFMDXZWDXCL-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
CCC(CC)[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCOCC1	742041388	OYCDQLTWBYQJLI-HSZRJFAPSA-N	401.595	3.772	10	20	HHCD	
COc1ccc(C)cc1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801720	SEMKWFATAYOPPJ-QGZVFWFLSA-N	404.457	3.933	10	20	HHCD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805062	FQUSIGNPHKZCLZ-BXTJHSDWSA-N	418.440	3.602	10	20	HHCD	
CO[C@@](C)(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	742805111	GPGMTRAAEKAXQC-VGOFRKELSA-N	404.457	3.935	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1	743045582	PKFONXFLCGWIAT-UHFFFAOYSA-N	423.466	3.872	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H]1CCN(c2ccccc2F)C1=O	743873697	RLWXQNLIUWICRD-QGZVFWFLSA-N	407.283	3.921	10	20	HHCD	
CC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)c2C)c1	744843766	ZPUGBVMMKOJIKV-RQZCQDPDSA-N	414.508	3.583	10	20	HHCD	
CC(C)CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCC1	746949970	BYSKIIXRQSCGEY-FQEVSTJZSA-N	414.594	3.889	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)c1	748436412	BODIHUGMEWYWJW-GOSISDBHSA-N	420.513	3.515	10	20	HHCD	
CC(C)C[C@@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	751070029	WCCFIRVBMGMITB-AWEZNQCLSA-N	408.545	3.763	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)c1	751318680	OCTNZBOIRNXSMI-SNVBAGLBSA-N	410.542	3.934	10	20	HHCD	
Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	752007909	QXMDAYZVMMTUQH-IAGOWNOFSA-N	412.490	3.861	10	20	HHCD	
CC(C)Nc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	752808322	JMZRSJZNOPBNDM-INIZCTEOSA-N	404.461	3.902	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1	753642322	AAINIDQRZUSCTI-GFCCVEGCSA-N	422.403	3.604	10	20	HHCD	
C[C@@H](N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(Br)cc1O	756678823	YNZLQYRIWYZNBA-PWSUYJOCSA-N	411.246	3.889	10	20	HHCD	
C[C@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)ccc1O	756783605	GFEXPEROMARUFY-GOEBONIOSA-N	403.320	3.854	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c(C)n1-c1cccc(Br)c1	758816295	NMUFWMAVFADWHZ-INIZCTEOSA-N	413.319	3.867	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1ccc(C(=O)N2CCCCC2)cc1	759546867	WSVQYZXRUNGEHJ-UHFFFAOYSA-N	418.588	3.751	10	20	HHCD	
COc1cc(CNC(=O)CSc2ncc(C(C)(C)C)s2)cc(OC)c1OC	759719973	RJQRTRMVORSVEH-UHFFFAOYSA-N	410.561	3.875	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(C)n1-c1ccccn1	760564382	ZQZZHPGZXJRYCI-JOCHJYFZSA-N	418.541	3.510	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc([N+](=O)[O-])ccc1OC	761753322	PHFFFMCKOGXCBX-UHFFFAOYSA-N	409.236	3.734	10	20	HHCD	
C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	762540500	XUTQUUGLQHADOT-CQSZACIVSA-N	416.481	3.853	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1	763433557	LMNZPPMSRAFRTJ-UHFFFAOYSA-N	407.474	3.899	10	20	HHCD	
CCc1ncc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)s1	763492213	WGCMVTMIVHQWMN-UHFFFAOYSA-N	410.502	3.846	10	20	HHCD	
COc1cccc(CNC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O	764322703	VDPBIQHLMOOAPM-NVXWUHKLSA-N	406.523	3.690	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(OC)cc1	764895848	WSSVGVKJGCNNEK-LADGPHEKSA-N	423.557	3.719	10	20	HHCD	
O=[N+]([O-])c1ccccc1C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1	765285796	HHIZAISOPSEIRL-OAQYLSRUSA-N	413.493	3.806	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc2c(c1)CCCO2	768094052	SRACFRFIVOTCIB-GMAHTHKFSA-N	407.558	3.954	10	20	HHCD	
CN(Cc1cccc(Br)c1O)C1CCN(C(=O)c2ccccc2)CC1	769232175	HKYQOZSYEZGHIW-UHFFFAOYSA-N	403.320	3.891	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](C)[C@@H](OC)c3ccc(F)cc3)CC2)cc1F	770832099	TVDUVHMBMPOICT-QVKFZJNVSA-N	419.472	3.581	10	20	HHCD	
Cc1cc2ncc([C@H](C)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c(C)n2n1	772446936	UHBSYBHKCSZGRO-ULQDDVLXSA-N	411.525	3.950	10	20	HHCD	
CCc1ccc([C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C(C)C)cc1	774411761	MGKVKHCDQLCAAK-QHCPKHFHSA-N	400.588	3.971	10	20	HHCD	
COc1ccc(Br)cc1CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	774824140	YEPQNRPVLWRBDQ-UHFFFAOYSA-N	411.252	3.712	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccsc3)cc2F)C[C@@H](C)O1	780397604	NYYORCRQHOZTEN-OKILXGFUSA-N	414.506	3.821	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCCS2)NC(=O)OC(C)(C)C)cc1	783581333	XLYSQRRDHJLFNY-ROUUACIJSA-N	407.580	3.720	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(Oc3cc(C)ccn3)CC2)c1O	783593724	CYKPJEVHUYCZEQ-UHFFFAOYSA-N	407.308	3.910	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN(C)Cc3ncnn3CC(F)F)c2C)c1	786208551	UYUKCPPGNUGKDJ-UHFFFAOYSA-N	401.461	3.574	10	20	HHCD	
C[C@@H]1CC[C@@H](COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)O1	789019171	PAAHFFIUZPKKKO-JKIKXBSOSA-N	411.570	3.840	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(O[C@@H]2CCOC2)cc1	790948061	VWZLTEJMOANKPM-GOSISDBHSA-N	400.438	3.816	10	20	HHCD	
CCOc1ccc(NCc2cccc(OCC)c2O)cc1S(=O)(=O)N(CC)CC	796395859	KGSGUOSAEFRAIV-UHFFFAOYSA-N	422.547	3.832	10	20	HHCD	
COc1ccc(N(CCC(C)C)CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc1	796502887	FYLLCVUSRPEKPL-UHFFFAOYSA-N	417.594	3.653	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O	797997384	KVPSMYPIKRRQIK-KUHUBIRLSA-N	409.935	3.821	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2ccc(C)nc2Cl)nc1-c1ccccc1	800930081	CMXTWXJQDYGYGP-UHFFFAOYSA-N	422.919	3.926	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O	801549302	JQPGZUYJDOQEMU-UHFFFAOYSA-N	409.461	3.828	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H](O)c1cccc(Br)c1)c1ccc(N(C)C)cc1	801762966	CXSNZKGYTZOMKZ-FZKQIMNGSA-N	406.324	3.609	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C(C)C)C1	802520272	CZIWWIYMENRHEK-QFIPXVFZSA-N	423.561	3.860	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)c2cccnc12	802610693	LSYDKKBGLLWTDE-UHFFFAOYSA-N	407.470	3.716	10	20	HHCD	
COC(=O)c1cc(NC(=O)N(C)Cc2ccccc2O)c(C)cc1Br	806740532	SCIQDVSFTNYIDB-UHFFFAOYSA-N	407.264	3.914	10	20	HHCD	
CCS[C@@H]1CCC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	809237349	VAMLSDPNLODFIZ-PZJWPPBQSA-N	417.619	3.816	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1O	810314674	FNVFYTAMSFOMOC-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
COc1ccc(O)c(CNCc2c(Br)cncc2Br)c1	811480475	ZOXVSKUBNMBVOR-UHFFFAOYSA-N	402.086	3.611	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cc(C)nc(N3CCCC3)c2)cc1F	811876979	AURJAJDBCITKLM-UHFFFAOYSA-N	413.541	3.975	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c2C)c1	812279950	XRWPKRTWKVDOQA-KRWDZBQOSA-N	421.463	3.933	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCCCC34CCCC4)cc2)C1	812930618	PYJCZPSDTFDOLK-FPOVZHCZSA-N	412.578	3.691	10	20	HHCD	
COc1ccccc1N1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1=O	914506487	OOUUJZRSTOJUDM-LJQANCHMSA-N	409.530	3.551	10	20	HHCD	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	916681747	UIOITTHSYYSIST-FQEVSTJZSA-N	423.513	3.806	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CNC(=O)c3cc(C)n(-c4ccccn4)c3C)cn2)n1	917344871	PVEOUQUHIHIJEL-UHFFFAOYSA-N	400.486	3.617	10	20	HHCD	
CN(C)c1ccc(N2C(=O)C[C@@H](N(C)Cc3ccc(N4CCCCC4)cc3)C2=O)cc1	917635950	NUZMDEFWTLPRPY-HSZRJFAPSA-N	420.557	3.507	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)C2CC2)cc1	918051771	DYTIWZJAFWXTOF-UHFFFAOYSA-N	422.504	3.561	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCc4occc43)cc2F)C[C@@H](C)O1	918210274	LHXPMRHIFIQPKL-CLCXKQKWSA-N	401.482	3.909	10	20	HHCD	
C[C@@H]1CCC[C@@](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)(N(C)C)C1	919658429	OSHRSBRYGOGBFA-QMHWCDLVSA-N	403.567	3.593	10	20	HHCD	
CCCNC(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1Cl	1323299095	YHVLBRLEPVOIHJ-UHFFFAOYSA-N	418.944	3.983	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1ccc2ccccc2c1	1338288364	QICYPPVICSHSDA-YWZLYKJASA-N	407.466	3.645	10	20	HHCD	
CC(=O)C[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1845399289	KSFCRHVNBDANJM-KRWDZBQOSA-N	421.541	3.526	10	20	HHCD	
Cc1csc([C@](O)(CC(=O)NCc2ccc(N3CCCC3)cc2)C(F)(F)F)n1	109027693	QUKVGUHHAUPLKX-GOSISDBHSA-N	413.465	3.508	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCNC(=O)c3c(F)cccc3F)c2C)c1	303568820	YCXGTOMNBCGLPO-UHFFFAOYSA-N	411.452	3.841	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3c(C)ccc(C(=O)OC)c3O)ccc21	436827557	KPKUSSFLOWECEG-UHFFFAOYSA-N	410.470	3.957	10	20	HHCD	
Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21	439675068	YWOHIUUHDKWLHW-UHFFFAOYSA-N	408.502	3.632	10	20	HHCD	
CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cccc3nsnc23)c1	535710549	SHVPVMRJWMBGNQ-UHFFFAOYSA-N	410.908	3.884	10	20	HHCD	
Cc1cc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)c(C)n1-c1ccccn1	725756856	FOVPSZKQEUEQAA-UHFFFAOYSA-N	418.497	3.836	10	20	HHCD	
O=C(Nc1cccc(F)c1)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	725863261	BQRNHTKHSRIDAS-UHFFFAOYSA-N	424.520	3.986	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C(C)C)N2CCCC2=O)c(C)n1-c1cccc(F)c1	726035473	GLYKSEYZRHLTMF-JOCHJYFZSA-N	414.477	3.606	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1occc1CN1C(=O)Cc2ccccc21	728514134	QRYKJYLUAPPEIU-UHFFFAOYSA-N	403.482	3.707	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)CC1	731015241	VHGPATBVPYJHSC-UHFFFAOYSA-N	419.525	3.616	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)cc2)CC1	731121131	NVPXXZXMNRAGDF-OAQYLSRUSA-N	420.557	3.807	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1	731857441	BPMLWPNCSQHBBZ-LJQANCHMSA-N	418.534	3.547	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)Cc1ccccc1O	732202926	IYNOUVPHLLTYKM-HNNXBMFYSA-N	414.461	3.627	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1ccc(F)c(C(F)(F)F)c1	733900025	RMKHEZFFJQBXBH-UHFFFAOYSA-N	400.444	3.762	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	737116676	HWMHIVOEUKEWOA-UHFFFAOYSA-N	420.391	3.510	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	740848644	XWBWCCJYPQRUCA-SJLPKXTDSA-N	408.951	3.833	10	20	HHCD	
COC(=O)CC(C)(C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	741220906	KJXKQBTWPXNGJL-UHFFFAOYSA-N	407.308	3.928	10	20	HHCD	
COc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1-n1cnnn1	741736628	ISVGWQWYBKDSMB-UHFFFAOYSA-N	402.458	3.639	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)cc1	742032342	SKDKDWCHEDGXQW-UHFFFAOYSA-N	414.524	3.785	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)NC(=O)OC(C)(C)C)cc1	742749693	KENBIHFONKHQTA-UHMOLFJZSA-N	401.551	3.871	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742797505	DNVDHMBSUKSIJC-CQSZACIVSA-N	405.401	3.903	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1F	743900519	JZMQFTRJHDFRLZ-UHFFFAOYSA-N	417.456	3.607	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c1C	744069485	PGNLZFDIRDVBSY-QFIPXVFZSA-N	401.510	3.933	10	20	HHCD	
C[C@@H](CCc1ccccc1F)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	745576100	FVBWOYYECGWIQL-KRWDZBQOSA-N	400.494	3.662	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc2c(c1)CCO2	745819484	DKDOKSVAKHMSGA-UHFFFAOYSA-N	419.319	3.864	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOc2ccccc2C1	745906208	YNGBWAYSMUSXPD-KRWDZBQOSA-N	417.456	3.861	10	20	HHCD	
Cc1cc(CC(=O)NCCc2nnc3ccccn23)c(C)n1-c1ccc(Cl)cc1	747627011	DDIWISLNGDCRNE-UHFFFAOYSA-N	407.905	3.692	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)o1	748091865	OGNFKJLBQRBCIJ-UHFFFAOYSA-N	414.411	3.659	10	20	HHCD	
CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)NCc1ccc(N(C)C)c(F)c1	748622709	FZSIRQXEERGCSG-OAQYLSRUSA-N	405.489	3.932	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NCCCOC1CCN(Cc2ccccc2)CC1	748971742	UMOCYZSGHLEKKM-UHFFFAOYSA-N	411.546	3.605	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)c1	749299736	ZBTLFTXDXMPHIS-SFHVURJKSA-N	416.543	3.639	10	20	HHCD	
Cc1cc(C(=O)CONC(=N)c2cnccn2)c(C)n1-c1cccc(C(F)(F)F)c1	753178608	OBCKNWLRYWSPIC-UHFFFAOYSA-N	417.391	3.632	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc4c(C(C)C)nn(C)c4s3)CC2)cc1F	753738929	NTVACUVNSBZVHB-UHFFFAOYSA-N	416.522	3.868	10	20	HHCD	
C[C@@H](NCCCSc1nccs1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	753966442	YCJFESXJVNUYER-AEFFLSMTSA-N	421.588	3.641	10	20	HHCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCS1	755228403	QXXJGGQTDPPDMD-CQSZACIVSA-N	417.497	3.579	10	20	HHCD	
Cc1cc(C(=O)NCCCNC(=O)C(C)C)c(C)n1-c1ccccc1Br	756236686	RIHXIMMWCFRDKC-UHFFFAOYSA-N	420.351	3.749	10	20	HHCD	
COc1cc(OC)cc([C@H](N[C@@H](C)c2cc(F)cc(F)c2O)c2nccn2C)c1	756389801	DYLXXYCYTVCADS-BUXKBTBVSA-N	403.429	3.861	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@@H]3C[C@@H](C)c4c(F)ccc(O)c43)CC2)cc1	756393183	QCRYLYBEBVVNEO-DNVCBOLYSA-N	418.534	3.831	10	20	HHCD	
C[C@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(Br)cc1O	756801415	AACDOTGOQSEDIP-NSHDSACASA-N	424.726	3.917	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	756966716	BKPIRNNFAWUHQM-UHFFFAOYSA-N	418.881	3.679	10	20	HHCD	
COc1ccc(-c2cncc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)cc1	757534667	OBPRBKFQHYVXFD-UHFFFAOYSA-N	403.482	3.728	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@H](C)c3ccc(F)cc3)CC2)cc(OC)c1OC	759219472	BKDRZIIMPKXHPL-INIZCTEOSA-N	416.493	3.694	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(OCC(F)F)n2)cc1	760310286	QWUSXSNPEZHDJT-GOSISDBHSA-N	419.472	3.613	10	20	HHCD	
COc1ccc(N2CCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1	760819795	WHFPVLRXYMTHSP-UHFFFAOYSA-N	408.458	3.971	10	20	HHCD	
Cc1cc(C(=O)CN2CCC([C@@H](O)c3nccn3C)CC2)c(C)n1-c1cccc(F)c1	760878583	IXAUSEUSXLDYID-HSZRJFAPSA-N	424.520	3.595	10	20	HHCD	
CC(C)(C)CN1CCC[C@H](OC(=O)c2csc(Cc3ccc(N)cc3)n2)C1=O	764581755	RZISQWFHYLXTDZ-KRWDZBQOSA-N	401.532	3.510	10	20	HHCD	
COc1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc(OC)c1OC	764949118	ZUSGKNKMHWKKFK-IRXDYDNUSA-N	400.519	3.961	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cccc(NC(=O)C2CC2)c1	765226521	JTZAXNFLBYKJKH-UHFFFAOYSA-N	404.264	3.825	10	20	HHCD	
CC[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N(C)C)cc1	765383502	ZCWLPPFOIKDKSZ-QFIPXVFZSA-N	401.576	3.778	10	20	HHCD	
C[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(N2CCCCC2)cc1	765660098	SOJJYRDPFZOQRO-HXUWFJFHSA-N	408.590	3.819	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(N4CCCC4=O)cc3)c2)CC1	767384038	WYIFJRAWKRBOFH-UHFFFAOYSA-N	406.530	3.596	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)cc1	769801955	FJMYZLSPQLMLJB-UHFFFAOYSA-N	407.514	3.566	10	20	HHCD	
CC(=O)C[C@H]1COCCN1C(=O)c1cc(C)n(-c2ccccc2Br)c1C	773882832	NDJISGJUCZXQNC-INIZCTEOSA-N	419.319	3.677	10	20	HHCD	
C[C@H]1[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C	778202000	BHJCFCHBJDSPHR-QFBILLFUSA-N	407.530	3.540	10	20	HHCD	
Cc1cnn(-c2c(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)c(C)nn2C)c1	778608102	XCBYSAXKOMDROS-UHFFFAOYSA-N	420.561	3.922	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1	778674970	SVJMYTWEXBONSB-NFBKMPQASA-N	404.558	3.773	10	20	HHCD	
CCOC(=O)[C@H](NCc1cccc(OC)c1O)c1ccc(OC)c(Br)c1	779178768	RKWMWUUYJZSGAJ-QGZVFWFLSA-N	424.291	3.566	10	20	HHCD	
CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)/C=C/c1ccc(O)c(O)c1)OCO2	779530596	SVBIWHDYFIEUAD-FNORWQNLSA-N	414.414	3.825	10	20	HHCD	
Cc1cc(CC(=O)N2CCCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc(Cl)cc1	781119525	UZJIHEAKEPJHQA-UHFFFAOYSA-N	413.949	3.761	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	781604752	SLINLIJAYPIORM-UHFFFAOYSA-N	414.462	3.939	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nnnn1C1CCCCC1	787785638	JTWOUMOOHXYZTK-ZDUSSCGKSA-N	412.519	3.726	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC2CCC3(CC2)OCCO3)cc1	788500423	ASIYAEXTRBULRX-JOCHJYFZSA-N	416.562	3.584	10	20	HHCD	
COc1ccc2nc(/C=C3\SC(=S)N(C4CCN(C)CC4)C3=O)sc2c1	788678382	PZZWLJCIZHBUNL-GDNBJRDFSA-N	405.570	3.600	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc4c(cc3O)OCO4)CC2)CC1	790452924	RORMWNBUXYYMAP-UHFFFAOYSA-N	404.507	3.734	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1	793538014	AFOFZXSNABISBO-QGZVFWFLSA-N	421.563	3.928	10	20	HHCD	
CN(C)c1ccc([C@H](CNc2cccnc2[N+](=O)[O-])NC(=O)OC(C)(C)C)cc1	795226452	GVBOSYGHUXGIGR-KRWDZBQOSA-N	401.467	3.734	10	20	HHCD	
CCOC1CC2(CCN(CC(=O)c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C2)C1	796526369	MEIYMQDRFSRCFZ-UHFFFAOYSA-N	424.541	3.954	10	20	HHCD	
CCOCc1cc(CN[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)ccc1OC	798088742	TXFWEYXZISCLIM-HTAPYJJXSA-N	405.560	3.804	10	20	HHCD	
CC[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCO1	798746945	HMJIYEKMKBEGPM-IZCBMXNHSA-N	424.613	3.757	10	20	HHCD	
COc1ccccc1-n1ncc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C	798984079	JBTZFTGHVXDWLG-LJQANCHMSA-N	421.497	3.716	10	20	HHCD	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C2CC2)o1	803686676	OPROCGWRMWUQIR-HRAATJIYSA-N	421.541	3.593	10	20	HHCD	
COC(=O)c1cnc(N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1C(F)(F)F	804579211	VOKIWRBVLANVGP-AWEZNQCLSA-N	410.392	3.778	10	20	HHCD	
Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	807287634	LMNFKIYNEUHBCD-DNQXCXABSA-N	417.553	3.782	10	20	HHCD	
COCCOc1c(Cl)cc(S(=O)(=O)N(C)Cc2ccccc2O)cc1Cl	808294936	KOMKCRUDRIFODG-UHFFFAOYSA-N	420.314	3.545	10	20	HHCD	
CC(C)Oc1ccc([C@@H](CNCc2ccc(N3CCOCC3)c(F)c2)N(C)C)cc1	808428396	WBIIAWLBIGFELQ-XMMPIXPASA-N	415.553	3.842	10	20	HHCD	
C[C@@H]1CN(C)CC[C@@H]1N(C)Cc1cc(Br)cc(Br)c1O	809765023	KNKQKXFMKJYXGP-YGRLFVJLSA-N	406.162	3.689	10	20	HHCD	
COc1cc(N2CCN(CCc3ccc(F)cc3Cl)CC2)cc(OC)c1OC	811490267	OEUHMQPZJGGZBL-UHFFFAOYSA-N	408.901	3.870	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1	813642350	HBUWQKCKBOCKFD-MRXNPFEDSA-N	419.522	3.522	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCc3c(nnn3-c3ccccc3)C2)cc1F	814299156	NSPGYAIDSHXMAP-UHFFFAOYSA-N	422.508	3.521	10	20	HHCD	
CCCNC(=O)NC(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814772704	DYJYVQZXEUGKKX-RIYZIHGNSA-N	419.553	3.841	10	20	HHCD	
C[C@H](N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	815653034	CAKIAGVVNNCWDQ-KSMMKXTCSA-N	401.438	3.842	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1	818788592	QNFCNADRHUTXNM-UHFFFAOYSA-N	414.508	3.886	10	20	HHCD	
CN(C1CC1)S(=O)(=O)c1ccc(NCc2c(O)cccc2Br)cc1	864004711	AVCLKCKQYQCDJC-UHFFFAOYSA-N	411.321	3.550	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCn2ccnn2)sc(C)c1-c1ccc(F)cc1	888678721	ZRFSBXDDHTUDAY-UHFFFAOYSA-N	402.451	3.660	10	20	HHCD	
Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc12	916589901	FVOHBOHGQYJMQN-UHFFFAOYSA-N	408.435	3.846	10	20	HHCD	
COc1ccccc1N1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1=O	917361338	DCAWEMSCBWPQEJ-SFHVURJKSA-N	420.465	3.576	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c(C)c1	917845685	DFCWLRFTRZNTBI-UHFFFAOYSA-N	417.512	3.886	10	20	HHCD	
C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	918207506	DQQNLMLPOAXCJH-HRCADAONSA-N	405.539	3.931	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc2ccccc2c1	918437492	ILHWMLSNIYHKEJ-UHFFFAOYSA-N	405.523	3.648	10	20	HHCD	
C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)cc1	920872587	UTATUEFKGKPCIW-GBXCKJPGSA-N	422.573	3.721	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)cc2F)CC1	1116590479	WKVYXEJZWXRGAY-OFNKIYASSA-N	401.501	3.727	10	20	HHCD	
COCCn1c(-c2ccc(C)cc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	1263139398	VHWZZWWTXKVZNS-UHFFFAOYSA-N	421.545	3.625	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c1	1318448394	ODNXZEUALXRNTO-GOSISDBHSA-N	414.981	3.646	10	20	HHCD	
COc1cccc2cc(CNC(=O)NCc3ccc(N4CCSCC4)cc3)oc12	1326130524	RCWODEVTTUDSIG-UHFFFAOYSA-N	411.527	3.994	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C(N)=O)c3ccc(Cl)cc3)ccc21	1518763160	PRTBGEWUOXQEOM-FQEVSTJZSA-N	413.905	3.514	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc[nH]2)C3)cc1	1845398764	ATTILMAGNQXYAO-UHFFFAOYSA-N	402.498	3.553	10	20	HHCD	
Cc1nn(C)c2ncc(C(=O)OCC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)cc12	24197880	OYKRAFQCJXNDSW-UHFFFAOYSA-N	420.444	3.863	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)cc1	301194301	TVDLBXGLBJEGRL-UHFFFAOYSA-N	410.474	3.577	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccccc1OC(F)(F)F	97028610	UVLVJBHRHAMUQP-UHFFFAOYSA-N	401.391	3.905	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)n(C)c2ccccc12	467959308	QCCDKEMXYMSWBZ-UHFFFAOYSA-N	420.513	3.717	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@H](C)N(c4ccccc4)C3=O)ccc21	460522757	JOGKKLMATYCNBQ-AOMKIAJQSA-N	419.525	3.828	10	20	HHCD	
COc1cc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(OC)c1O	809618906	RQQCUNPEGPTYLK-QGZVFWFLSA-N	406.910	3.523	10	20	HHCD	
CC[C@H](NCCCN1CCN(c2ncccn2)CC1)c1cc(Cl)cc(Cl)c1O	806130498	ZOPQKCPTAFJDBY-SFHVURJKSA-N	424.376	3.742	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OC[C@@H]3CCN(C(=O)c4ccccc4)C3)sc2n1	801213689	CETZSOKPGWUDJB-OAHLLOKOSA-N	409.511	3.814	10	20	HHCD	
Cc1cc(CC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)c(C)n1-c1ccc(Cl)cc1	807818272	HWYSKAZNHZMIHN-GOSISDBHSA-N	413.949	3.761	10	20	HHCD	
Cc1ccc2sc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2c1	810182806	HTLXEYACGVTDNG-KRWDZBQOSA-N	407.539	3.841	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3scnc3C(F)(F)F)cc2F)C[C@@H](C)O1	816891008	FWXQFDBPPVLVGO-GHMZBOCLSA-N	417.428	3.845	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H]3C(=O)Nc4ccccc43)ccc21	481953328	PYXKIKUYPOIRNP-IBGZPJMESA-N	405.498	3.760	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(-c4cccnc4)n3CC(C)C)CC2)cc1	812212524	FVRAVPIMWHBWPO-UHFFFAOYSA-N	406.534	3.721	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](CC(C)C)C(=O)Nc3nccs3)CC2)cc1	812842843	WGWGYBAWCCKFQE-IBGZPJMESA-N	402.564	3.764	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cc3ccccc3n(C)c2=O)cc1F	813634068	CEUFOKDXKRTIHL-UHFFFAOYSA-N	410.493	3.523	10	20	HHCD	
Cc1csc(-c2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)n1	726288243	DWIQFIMIDARUBW-UHFFFAOYSA-N	408.527	3.782	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCCC(C)(C)C)cc2F)C[C@@H](C)O1	729025655	AKFRIWGGTZPMKD-CALCHBBNSA-N	422.541	3.815	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1	728951060	YTAYYCIFOUPVDW-GJZGRUSLSA-N	403.910	3.941	10	20	HHCD	
O=S(=O)(/C=C\c1ccccc1Cl)NCc1ccc(N2CCSCC2)cc1	727450284	IHLXQTCKFPRCAK-ZROIWOOFSA-N	408.976	3.984	10	20	HHCD	
C[C@H](NC(=O)NCc1nc(C(C)(C)C)cs1)c1ccc(N2CCOCC2)cc1	729498614	SUQRMGSMVPMZLW-HNNXBMFYSA-N	402.564	3.838	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2sccc2S(=O)(=O)C(F)F)C2CC2)cc1	730960892	BFVVYTIZGGPSTR-UHFFFAOYSA-N	414.499	3.615	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3cc(-c4ccccc4)on3)cc2F)C[C@@H](C)O1	735853205	HAIDUQONDAPWAO-CALCHBBNSA-N	423.488	3.953	10	20	HHCD	
CN1CCC[C@@H](N2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)C1	734486852	LPNMFQFXMWLZQL-HSZRJFAPSA-N	420.561	3.752	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(OC)ccc2OC(C)C)cc1	730387071	PJYOCVYBCNJLFR-UHFFFAOYSA-N	413.518	3.584	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(Sc2ccccc2)CC1	731762294	NKTOGBBNGRXJDC-UHFFFAOYSA-N	411.571	3.990	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1F	917998241	DYTMSJXYFPDNLQ-HZPDHXFCSA-N	403.473	3.886	10	20	HHCD	
O=C(CCC(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	917381261	ZEOAPZVPWCPGJO-UHFFFAOYSA-N	420.431	3.821	10	20	HHCD	
Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	743314919	UJANRZXZNYJPAX-UHFFFAOYSA-N	411.521	3.625	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)NC(=O)CCN2C	741741509	WBWMPTIMVXMDAP-UHFFFAOYSA-N	406.530	3.728	10	20	HHCD	
CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCc3c(O)ccc4c3CCCC4)ccc2NC1=O	745929455	DZEGEEMBDVJFNI-SPLOXXLWSA-N	423.513	3.941	10	20	HHCD	
COc1ccc(N(Cc2ccc(C(C)C)cc2)Cc2nc(N)nc(N(C)C)n2)cc1	841588715	BPYOCPHOJBWRAJ-UHFFFAOYSA-N	406.534	3.859	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)Oc3ccc(F)cc3)cc2F)C[C@@H](C)O1	917712997	YZXPWUPYJNTDAF-XHSDSOJGSA-N	404.457	3.662	10	20	HHCD	
Cc1ccc(C2=CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1	918218051	QFPFUOCCLNYFSM-UHFFFAOYSA-N	409.505	3.970	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCc2c(cccc2N2CCOC2=O)C1	743552821	SPNQIIIHISWTGB-UHFFFAOYSA-N	420.513	3.511	10	20	HHCD	
Cc1cc(O)c(CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1C	749890187	ITGIZCVMJCPAJO-UHFFFAOYSA-N	414.980	3.621	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Br)c(F)c1	743210789	QCWFOZXBZLEMLX-UHFFFAOYSA-N	408.271	3.747	10	20	HHCD	
CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	918423632	DWKRSQIDCSOICF-IBGZPJMESA-N	423.473	3.778	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)CCc3cccn3C)cc2F)C[C@@H](C)O1	743554573	IFZBURHCTZDVHK-KURKYZTESA-N	416.541	3.598	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCCCCCN1C(=O)c2ccccc2C1=O	759594263	MWPTWQLCCYWYRS-ZRDIBKRKSA-N	409.438	3.511	10	20	HHCD	
C[C@H](NC[C@@](C)(O)C(F)(F)F)c1cc(Br)cc(Br)c1O	756783194	FKONFPGJBZZQTQ-UPONEAKYSA-N	421.051	3.881	10	20	HHCD	
CCO[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C12CCCCC2	750658378	UIYAWLKQSNRHCA-VXKWHMMOSA-N	415.578	3.793	10	20	HHCD	
C[C@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1cc(Br)ccc1O	756435007	SRSYZFIUUUABMW-INIZCTEOSA-N	418.379	3.753	10	20	HHCD	
C[C@@H](c1ccc(NC(=O)NCCCSc2nccs2)cc1)N1CCOCC1	753942803	FXWWXKPFFUGEJG-HNNXBMFYSA-N	406.577	3.840	10	20	HHCD	
C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1	750732697	VQSWNPLAXYDGAX-OAHLLOKOSA-N	403.320	3.706	10	20	HHCD	
CS(=O)(=O)c1cccc(Cl)c1CNCc1ccc(N2CCSCC2)cc1	758298586	HHZFLCJNBNRMQC-UHFFFAOYSA-N	410.992	3.587	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)cc1	755945011	ONBPINCTBLSTSN-UHFFFAOYSA-N	412.914	3.576	10	20	HHCD	
CSC[C@@H](CCO)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	761915715	VEKWPAYHCVCDTN-CQSZACIVSA-N	411.365	3.700	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1NCc1ccc2c(c1)CCO2	762742754	AGHBMYCEHWHDOX-HSALFYBXSA-N	402.535	3.516	10	20	HHCD	
COC(=O)CC1(NCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOCC1	761189685	XBHSFSOYSKTERJ-UHFFFAOYSA-N	410.474	3.742	10	20	HHCD	
CC1(C)C[C@@H](NC(=O)c2cc(O)cs2)C[C@](C)(CNC(=O)c2cc(O)cs2)C1	765402912	KGIZYFBWKCNJHU-ODXCJYRJSA-N	422.572	3.966	10	20	HHCD	
CSc1nc(C)c(CCC(=O)NCc2cccc(Br)c2O)c(C)n1	765756886	NZSZNLLTWFPJKB-UHFFFAOYSA-N	410.337	3.532	10	20	HHCD	
Cc1nc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)n[nH]1	761434675	LVEISXKZDLBXET-MRXNPFEDSA-N	417.473	3.873	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc(S(=O)(=O)C2CCCC2)cc1	1117551517	OVTRKEBGAKJJFL-UHFFFAOYSA-N	405.863	3.845	10	20	HHCD	
O=C(Nc1cc(C(F)(F)F)ccn1)C(=O)N(Cc1ccco1)Cc1ccccc1O	772927747	LEGYQVIEQCJQFH-UHFFFAOYSA-N	419.359	3.567	10	20	HHCD	
C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1Cc1ccccc1	775688528	SUNJONYWWMBCAT-GJZUVCINSA-N	406.618	3.923	10	20	HHCD	
Cc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(O)c1O	770486623	HTDOEQODDCCOPS-UHFFFAOYSA-N	409.404	3.903	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(COc2ccccc2)n[nH]1	771379310	UYRPMUBHKQBXQJ-UHFFFAOYSA-N	422.533	3.570	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(F)cc(Br)c3)c2)CC1	770142650	DTUBWFXTSALLSQ-UHFFFAOYSA-N	406.299	3.982	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccccc1OCc1cscn1)c1ccc(N(C)C)cc1	773845502	HUGASJGFRGIIRC-HNNXBMFYSA-N	424.526	3.604	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccc(OCC(F)(F)F)nc1	776243257	DEMQHWBJIKSPJW-UHFFFAOYSA-N	424.467	3.863	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1Cl	771657495	AMKBRTISZFLTHM-UHFFFAOYSA-N	413.861	3.947	10	20	HHCD	
C[C@H](NC[C@H](O)CO[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	775262214	ZLFNZLUWVXBTLB-QXWFJRNPSA-N	410.558	3.629	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	779511206	PBEXPIHLXWCKKY-FIRRRZPPSA-N	409.417	3.706	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccc(Cl)cc1)C1CC1	788938455	RWKUUEVHWWEBNK-UHFFFAOYSA-N	411.933	3.748	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccnc2N2CCCCC2)cc1	784106227	HUSQEYPCNRTLQY-UHFFFAOYSA-N	421.545	3.816	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1	789837490	XMJXDUFNDYGUSJ-AWEZNQCLSA-N	418.515	3.567	10	20	HHCD	
CCOC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@@H]1CCCOC1	781377598	JLXZVMGEFDARNH-UZLBHIALSA-N	418.921	3.836	10	20	HHCD	
CC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N(CC)CC)cc3)sc2C1	789378755	RUBOZDGOKFYUAZ-OAHLLOKOSA-N	414.575	3.759	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCCSc2nccs2)nc1	792165723	PBZTZCYJSUYTAY-UHFFFAOYSA-N	408.549	3.726	10	20	HHCD	
COCCOC[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	799992973	BKWZXQHJEOXTMA-IEBWSBKVSA-N	423.985	3.771	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCOC4(CCOCC4)C3)cc2Cl)C1	799995580	OUDBEWQUDNTPJN-KRWDZBQOSA-N	421.969	3.667	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@@H]2F)cc1	1801496983	OJRZYDIIEKBZLP-KVEDYDLGSA-N	409.505	3.704	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21	769280791	SJOFSCRCUJYRAZ-UHFFFAOYSA-N	416.477	3.889	10	20	HHCD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	141025633	MGCGGYZZHSLJGW-DLBZAZTESA-N	410.518	3.603	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2)SC1=S	212602362	BRYZVWFLELKACB-BOPFTXTBSA-N	415.540	3.778	10	20	HHCD	
Cc1c(CNC(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)n(C)c2ccccc12	472278641	SJPVAZCAFGFXBL-UQBPGWFLSA-N	421.541	3.738	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	725820759	WXFYEVPIWJHBNP-UHFFFAOYSA-N	411.911	3.915	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(C)(C)c3ccc4c(c3)OCCO4)CC2)cc1	726561489	AGCOCRGSHCWUEV-UHFFFAOYSA-N	410.514	3.529	10	20	HHCD	
CCc1ccccc1NC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726727362	WDZMZBJEHHHSBT-UHFFFAOYSA-N	417.456	3.574	10	20	HHCD	
COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)c3ccc(C)c(O)c3O)ccc2c1	727003829	HTYZLXPKXCMCCG-HNNXBMFYSA-N	423.465	3.772	10	20	HHCD	
COc1ccc(N(Cc2cccs2)C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1	727139065	CICGENPYWKGUBO-NRFANRHFSA-N	417.552	3.900	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)NCc3ccc(N(C)C)c(F)c3)cc2)n1	727845959	CGYMAJFFGYBJLH-UHFFFAOYSA-N	411.481	3.546	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(N3CCCC3)nn2)cc1	727850120	SVMDVKSZZOPCOD-UHFFFAOYSA-N	405.502	3.578	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	727985540	CXOPFRMBKFFEAX-RICSJMIASA-N	401.576	3.501	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1	728981821	FFLLUDHPVZFSQX-GFCCVEGCSA-N	413.424	3.844	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c1	729037251	RJQRXRBVJRKTLM-ZACQAIPSSA-N	413.518	3.893	10	20	HHCD	
CC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1cccc(S(N)(=O)=O)c1	729537225	COOPYSGTOLFLRS-OAQYLSRUSA-N	411.527	3.623	10	20	HHCD	
CNC(=O)C1(C(=O)N[C@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)CC1	729967522	TUKNEDHXHGZLTD-KRWDZBQOSA-N	419.447	3.824	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc([N+](=O)[O-])ccc1F	730970674	ADXUQKWJAMRLIN-UHFFFAOYSA-N	409.364	3.734	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3N3CCCC3)cc2)CC1	731131057	CSVQUNOGMNQJSD-UHFFFAOYSA-N	420.557	3.778	10	20	HHCD	
Cc1cccc(N2CCN(C(=O)CN(Cc3ccco3)Cc3ccccc3O)CC2)c1	731843937	CYFGSOWXSFQJJE-UHFFFAOYSA-N	419.525	3.645	10	20	HHCD	
CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1Cl	732525730	DQHSOGZURDFBNZ-UHFFFAOYSA-N	411.886	3.839	10	20	HHCD	
Cc1cc(C(=O)Cn2cnnc2[S@@](C)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	732717292	FCPDYOUABYGKMW-AREMUKBSSA-N	411.314	3.613	10	20	HHCD	
CN(Cc1ccccc1Br)C(=O)CCNCc1ccc(N(C)C)c(F)c1	733327698	BYIFWOUYDTUERB-UHFFFAOYSA-N	422.342	3.793	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1nc(-c2cccc(Cl)c2)no1	734524358	AAPREBJSHCBGBG-UHFFFAOYSA-N	411.893	3.990	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	740919191	GUCJUQZIBBLOIO-LJQANCHMSA-N	414.550	3.509	10	20	HHCD	
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	741712470	WIWDCOLYTDSKLL-WIYYLYMNSA-N	400.567	3.513	10	20	HHCD	
Cc1cc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)c(C)n1-c1ccc(C(C)C)cc1	742180313	VMZUMGRSBDAPES-FQEVSTJZSA-N	420.600	3.777	10	20	HHCD	
CCn1nc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl	742799386	KMMAADBVVWXRQW-CYBMUJFWSA-N	412.868	3.865	10	20	HHCD	
CO[C@@](C)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	742805107	GPGMTRAAEKAXQC-HTAPYJJXSA-N	404.457	3.935	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(F)c(Br)c1	743248593	JGYZCYRYTAFQKY-UHFFFAOYSA-N	414.281	3.908	10	20	HHCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(N2CCCC2=O)c1	743564546	NMHTYARZQXMZON-INIZCTEOSA-N	407.514	3.958	10	20	HHCD	
Cc1ccc(Br)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	743958142	MWMLYOFUGCOHLI-UHFFFAOYSA-N	417.303	3.597	10	20	HHCD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	745058367	GYXJMOMZTJLSAO-PMACEKPBSA-N	424.541	3.690	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)N1CCCC[C@H]1C	745494276	QPICRTORQLHCKV-HUUCEWRRSA-N	412.372	3.949	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2ccccc2)ns1	746280614	RFAHZOXZYGPBLP-UHFFFAOYSA-N	407.539	3.949	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(F)c1I	749883481	ZSJOEQJCXFCNAP-UHFFFAOYSA-N	412.246	3.769	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	755201497	WNTPTQXVNXHDEJ-HZPDHXFCSA-N	415.465	3.597	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)c(Cl)c1O	756448341	BFJGMRWWXNJKPD-NSHDSACASA-N	403.331	3.800	10	20	HHCD	
C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756523100	AAOFLMDBTYXVED-JKSUJKDBSA-N	412.490	3.969	10	20	HHCD	
Cc1nc(NC2CC2)sc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	757763752	SBDAVOILQNWXCI-LJQANCHMSA-N	414.575	3.913	10	20	HHCD	
Cc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c(O[C@@H]2CCOC2)c1	758658367	LKEMTVBJUDESLH-HXUWFJFHSA-N	405.498	3.895	10	20	HHCD	
CN1C(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C(=O)[C@H]1c1ccccc1	761160088	OLQRIQUBQOBCRA-LJQANCHMSA-N	415.440	3.892	10	20	HHCD	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCCc1ccc(O)c(O)c1	762273980	GBNYBHOMSMAVOH-UHFFFAOYSA-N	403.276	3.551	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(N2CCCCC2)c(F)c1	764827876	KYRRFSFLPCYIPN-LJQANCHMSA-N	411.569	3.814	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(OC(C)(C)C)cc1	765797342	BJIAFUIWPORFHJ-GOSISDBHSA-N	416.587	3.950	10	20	HHCD	
O=S(=O)(/C=C/c1cccc(Cl)c1)NCc1cccc(Br)c1O	766177757	AOCRVMNUSSRVIX-BQYQJAHWSA-N	402.697	3.898	10	20	HHCD	
CCCCC[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	769035688	APTAWLZEKYACJB-TZIWHRDSSA-N	400.567	3.643	10	20	HHCD	
Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773750889	JSOGFJOPORIIIJ-GFCCVEGCSA-N	413.499	3.751	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1)c1ccc(OC)cc1	775197458	LXSGRZBNYUAWHL-FQEVSTJZSA-N	415.509	3.564	10	20	HHCD	
O=C1[C@H](NCc2cc(Cl)cc(F)c2O)CCN1c1cccc(Br)c1	775205276	RSGXJBHADULYHP-OAHLLOKOSA-N	413.674	3.842	10	20	HHCD	
CC[C@H](NCc1ccc(CS(=O)(=O)NC)cc1)c1ccc(Cl)c(Cl)c1O	775491815	KZNIDCLCQXYRCY-INIZCTEOSA-N	417.358	3.989	10	20	HHCD	
Cc1cccc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c1Cl	775671980	MUJVGEFWQFARCH-UHFFFAOYSA-N	404.923	3.760	10	20	HHCD	
Cc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)s2)o1	781625295	WHOSOOSLVNVNRZ-KRWDZBQOSA-N	423.538	3.948	10	20	HHCD	
CN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(OCc2ccccc2)cc1	781962698	CUGQHYWQMRRBHH-UHFFFAOYSA-N	424.522	3.744	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Br)ccc1O	782468371	IBRXQASOGSMVHJ-UHFFFAOYSA-N	420.668	3.616	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccnn1C(C)(C)C)c1ccc(N)cc1	783482862	LRRBYCGLOGWCLJ-INIZCTEOSA-N	405.502	3.953	10	20	HHCD	
Cc1nn(C(C)(C)C)cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	784676994	YERQRPSUXUWLKH-HNNXBMFYSA-N	406.477	3.947	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nccnc1Sc1ccccc1	785085183	JRXROVRMNQIEIS-UHFFFAOYSA-N	420.538	3.737	10	20	HHCD	
CC(C)(NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCOCC1	787266750	JDQHMKJBDVPVHS-MRXNPFEDSA-N	411.493	3.761	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c(C)cc1C	788314748	FUHJRMPIKBKGRT-UHFFFAOYSA-N	413.543	3.965	10	20	HHCD	
O=S1(=O)CCC[C@H](CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)C1	789908350	PFEIOKHGGHOKNS-SJLPKXTDSA-N	406.573	3.646	10	20	HHCD	
O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1O)C[C@@H]1CCCO1	790667453	BELSMLPKPVKNRD-HNNXBMFYSA-N	422.840	3.843	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCc2cccc(OCC(F)(F)F)c2)c1	793309743	QIKMNHJMTACPOK-ZDUSSCGKSA-N	412.408	3.945	10	20	HHCD	
Cc1cc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)cc1C	793612088	GCPLNVVUSFCCIS-GOSISDBHSA-N	400.523	3.537	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2cccc3c2CCO3)cc1)C1CCCCC1	796749916	YGYUYSKAMWXLBB-UHFFFAOYSA-N	407.514	3.645	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3/SC(=S)N(CCc4ccccn4)C3=O)s2)cn1	800793786	VSTZNMAOOGYCNH-LICLKQGHSA-N	412.565	3.988	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CC[C@H]1NC(=O)N(c2cccc(C)c2)C1=O	801545458	AGYGAVPNIDIJLB-HXUWFJFHSA-N	423.513	3.735	10	20	HHCD	
CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	804135387	HYHTZJUZNGGTDM-HXUWFJFHSA-N	406.482	3.652	10	20	HHCD	
CC[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1cccc(Cl)c1O	806134969	OXQCPGHULMBBDA-INIZCTEOSA-N	403.331	3.718	10	20	HHCD	
Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1	807097273	XPSPPXKQLFMVDZ-PKTZIBPZSA-N	407.558	3.780	10	20	HHCD	
Cc1csc(CCCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	1318173300	JTFYMUYLJZAZKN-HZPDHXFCSA-N	420.554	3.636	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CC1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1319690307	YMWGHWZPUGAEMZ-UHFFFAOYSA-N	403.526	3.795	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2)cc1	1322867920	FRDYUMGMBNGLJT-UHFFFAOYSA-N	404.514	3.850	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc4sc(N(C)C)nc4s3)CC2)cc1	1336532930	ZYRBQPJZYSSRJC-UHFFFAOYSA-N	416.572	3.785	10	20	HHCD	
CC(C)C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)CCC1	1800719231	CDMUHSJEICBCNT-MUJYYYPQSA-N	420.937	3.829	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)/C=C/C3CC3)C2)cc1	1841375065	MCJIIPJLVSNPEK-MDWZMJQESA-N	403.526	3.877	10	20	HHCD	
CCOc1cccc2c1OCC(C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)=C2	65561514	BIXMWWCNNCBMFD-QGZVFWFLSA-N	408.498	3.575	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1	195537588	GGLZLVNJQYGMEY-UHFFFAOYSA-N	403.367	3.835	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	805144678	GXDFCQWBDMRFLP-SANMLTNESA-N	416.569	3.870	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc(C(F)F)cc2)cc1	808087252	QGVKOODTDRUAGX-UHFFFAOYSA-N	406.458	3.736	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCCOc2ccccc21	804065812	XOURSAYNZMMSFK-NRFANRHFSA-N	409.530	3.520	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)CCOCc3ccccc3)CC2)cc1	806683626	MFVMWRLEPXWSKW-IBGZPJMESA-N	411.546	3.959	10	20	HHCD	
CNC(=O)COc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c(C)c1	478633706	UKCGFJLWEZEUCT-UHFFFAOYSA-N	423.513	3.590	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N(Cc1ccco1)Cc1cccs1	806278592	VSNPWZYIVOSXPI-UHFFFAOYSA-N	421.569	3.625	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H]3CCN(c4ccccc4Cl)C3)CC2)cc1F	810489377	KERTVZBKLBBOKU-MRXNPFEDSA-N	417.912	3.663	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@@H](CCc2ccccc2)c2ccccc2O)cc1	815563746	MSYDBFGAYHALMO-QHCPKHFHSA-N	424.566	3.905	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1	811823719	YSLJJIJYTDLZOM-UHFFFAOYSA-N	422.915	3.980	10	20	HHCD	
OC[C@@H](CNCc1cc(Cl)c(F)cc1O)Cc1ccccc1Br	816591412	DFTPBPLGAGGWIO-LLVKDONJSA-N	402.691	3.888	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(F)cc3Br)CC2)cc1	726561990	CAPZTELCEKVZIJ-UHFFFAOYSA-N	407.283	3.996	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1	728979956	RQGKKVLBKGZASV-LBPRGKRZSA-N	401.850	3.914	10	20	HHCD	
O=C1OC(c2ccccc2OC(F)F)=N/C1=C\c1ccc(N2CCOCC2)c(F)c1	727290588	OTFFRCCYGLTUND-VBKFSLOCSA-N	418.371	3.608	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1	726182744	HTIZNIGYLMFHPL-GOSISDBHSA-N	401.482	3.930	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CSc3nccn3C(C)(C)C)CC2)cc1	726561949	APVOGTOXNGTLSP-UHFFFAOYSA-N	402.564	3.524	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cnn(-c4ccc(F)cc4)c3)SC2=S)cn1	728312784	WLYCLKIFIWBUJM-PXNMLYILSA-N	412.471	3.821	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)c1	729038507	WQLUQOUPDUFTFZ-INIZCTEOSA-N	411.502	3.839	10	20	HHCD	
Cc1n[nH]c(C)c1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	828582757	JLHZFNNYEPADLL-QGZVFWFLSA-N	411.531	3.800	10	20	HHCD	
Cc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C	734660345	PQIGDWMDAGGNCH-QUCCMNQESA-N	408.546	3.566	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)c1C	732565001	STVVOMQQTCWZSN-JOCHJYFZSA-N	408.590	3.643	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(CCN(C)C)CC3CCCCC3)CC2)cc1	739006842	FVNDDIDSTGFZSH-UHFFFAOYSA-N	416.610	3.818	10	20	HHCD	
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCc1ccc(N2CCOCC2)cc1	734861220	KDTYUEZLKCEFIA-HXUWFJFHSA-N	401.938	3.997	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1-c1cccc2cnccc12	731183105	RMGCYOCEXRHNEO-UHFFFAOYSA-N	412.497	3.654	10	20	HHCD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	735686178	BDVBDCWEZUGEED-IFMALSPDSA-N	417.594	3.536	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccc(Cn4cncn4)cc3)cc2)CC1	731050142	CDXZQNKIZBEWSE-UHFFFAOYSA-N	418.545	3.562	10	20	HHCD	
C[C@H](NC(=O)Nc1cccc(-c2nccn2C)c1)c1ccc(N2CCOCC2)cc1	736973160	LCDNXERTSWQWGX-KRWDZBQOSA-N	405.502	3.806	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3ccc(Cl)cc3Cl)nc12	917020795	AOFPWYDQCWDMOW-UHFFFAOYSA-N	409.273	3.550	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	741091145	YXYLKOPKUDPEII-LJQANCHMSA-N	414.550	3.509	10	20	HHCD	
CCOc1ccc(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	916570402	HICMDEQYCKOCIG-UHFFFAOYSA-N	400.434	3.911	10	20	HHCD	
O=C(COC(=O)CCNC(=O)c1ccco1)Nc1ccc(N=Nc2ccccc2)cc1	849198275	QNBXFQGZZJEZBV-UHFFFAOYSA-N	420.425	3.997	10	20	HHCD	
COc1cccc(CNC(=O)NCC(C)(C)c2cccc(Br)c2)c1O	745795306	DSNOSQPGBAKOCS-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
Cc1ccc([C@H](NC(=O)NCc2ccccc2O)c2cccc(S(C)(=O)=O)c2)cc1	745790191	VMPHRDOXCCDPJZ-QFIPXVFZSA-N	424.522	3.693	10	20	HHCD	
O=C(NCCc1cc(Cl)c2c(c1)OCCO2)NCc1ccc(N2CC=CC2)cc1	740902484	QPOQYNPHHFDGRK-UHFFFAOYSA-N	413.905	3.529	10	20	HHCD	
Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)[C@H](C)C2)cc1C	747948424	ABBVOQNTIHZFNJ-OAQYLSRUSA-N	422.573	3.560	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCN(C2CCCC2)CC1	745903615	IAFIARXOQNFCMH-QGZVFWFLSA-N	422.520	3.527	10	20	HHCD	
CCc1cc(N2CCC(NC(=O)c3sccc3-n3c(C)ccc3C)CC2)ncn1	748502925	VOPZQVCXUTZBMJ-UHFFFAOYSA-N	409.559	3.907	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1	746158914	LAKSYHNMRVSMHD-UHFFFAOYSA-N	423.557	3.641	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3CCCOc4ccc(F)cc43)CC2)cc1F	753920294	VFHLSVNMBNDOFQ-IBGZPJMESA-N	417.456	3.719	10	20	HHCD	
C[C@H](OC(=O)CCc1ccoc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	753495028	IWQVZXKPMRPTPZ-AWEZNQCLSA-N	417.417	3.558	10	20	HHCD	
Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC(C)C	920866044	UTMHTZZFAUEMDW-SFHVURJKSA-N	418.559	3.658	10	20	HHCD	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	751308322	VTTNSFJGMCENHJ-IAGOWNOFSA-N	405.502	3.620	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c2c(C)nn(C)c2n1	754547650	GXIIYRSLHJQBMA-UHFFFAOYSA-N	410.433	3.613	10	20	HHCD	
O=C(C(=O)N1CCc2c(Cl)cccc21)N(Cc1ccco1)Cc1ccccc1O	757248424	OROBJSRIKLAUOA-UHFFFAOYSA-N	410.857	3.757	10	20	HHCD	
CC(C)c1c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnn1-c1ccccc1	753842554	UEDZTLDWSLTVJE-KRWDZBQOSA-N	419.529	3.878	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@@H](C)NC2CCN(c3ccc(OC)cc3)CC2)cc1	756927198	MXFBHZZMYQTFRR-QGZVFWFLSA-N	402.560	3.808	10	20	HHCD	
CCOCCOc1cc(C)ccc1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O	755236804	IGHFAZLBSQMWOF-INIZCTEOSA-N	402.491	3.685	10	20	HHCD	
C[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccc(S(=O)(=O)N(C)C)cc1	756449953	PHMLKBHIEOWEJV-JKSUJKDBSA-N	402.560	3.933	10	20	HHCD	
CS[C@H](C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	752268693	JLUNYVPGDYTOGC-NASPGAHYSA-N	400.616	3.597	10	20	HHCD	
CCc1ccc(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1S(C)(=O)=O	765555956	UCILBNQGQYWMFG-UHFFFAOYSA-N	402.560	3.771	10	20	HHCD	
Cc1cccc(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	765342010	BMYAGZKWFAUFHW-OAQYLSRUSA-N	409.530	3.516	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1	764140163	AZZQLKLJEJXCJW-LJQANCHMSA-N	404.352	3.954	10	20	HHCD	
Cc1cc(NC(=O)NCc2cccc(Br)c2O)nn1-c1ccccc1	765326395	IGDVTBUMLQZVLZ-UHFFFAOYSA-N	401.264	3.971	10	20	HHCD	
O=C(CCSCc1nc(O)c2c3c(sc2n1)CCC3)NCc1ccccc1O	769361754	AACCBNDYFQIJMZ-UHFFFAOYSA-N	415.540	3.531	10	20	HHCD	
O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1cccc2nonc12)c1ccco1	765048479	JNLDDUWIEOYYNE-UHFFFAOYSA-N	418.818	3.522	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1F	767317714	BHDBPUIDLZHDIV-LJQANCHMSA-N	419.463	3.907	10	20	HHCD	
CSc1cc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccn1	772104764	AAQNKXHQTUUZGU-HNNXBMFYSA-N	422.501	3.873	10	20	HHCD	
O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2cc(F)ccc2O)C1	779000158	QQZXYCNPHNGPHF-LBPRGKRZSA-N	408.271	3.540	10	20	HHCD	
COc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2ncccc12	771282613	SMAMGHFEFNCZHR-UHFFFAOYSA-N	406.486	3.744	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c(Cl)cc1F	775291180	DCQHMURFRVLUSG-UHFFFAOYSA-N	401.843	3.697	10	20	HHCD	
C[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1)c1ccc(N(C)C)cc1	773983286	WUSUABWYQYQRHT-JTQLQIEISA-N	417.314	3.797	10	20	HHCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCO1	778751042	CZKBAUVUPWSHEN-UTKZUKDTSA-N	407.530	3.650	10	20	HHCD	
O=C(Nc1nc2ccc(I)cc2s1)c1cc(O)cs1	779427168	MCISHJSRGMQJDB-UHFFFAOYSA-N	402.238	3.920	10	20	HHCD	
C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1	772874746	GQEJIAMSMBUZCJ-NQIIRXRSSA-N	403.567	3.791	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)ccc21	786621597	UNQGBTLIRVYKCB-ZJPYXAASSA-N	415.367	3.756	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	788909822	SFTWXIKTSIECOI-SFTDATJTSA-N	422.573	3.800	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C)c1Br	784026177	GPSNQAUAXYGYBZ-UHFFFAOYSA-N	405.292	3.840	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc3ccccc3c2)cc1	788951846	OCTJEEUZYBOTCH-UHFFFAOYSA-N	403.526	3.961	10	20	HHCD	
Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	784719243	FZGFFFJWQUVDNB-UHFFFAOYSA-N	421.522	3.958	10	20	HHCD	
C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1cc(Br)cc(Cl)c1O	797102620	QULQVZAKKZDAMB-SNVBAGLBSA-N	410.761	3.816	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@]2(CCCOC2)O1	796532044	RYZKLABALHHNPE-DVECYGJZSA-N	415.578	3.935	10	20	HHCD	
COc1cncc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1	799183496	QERPKRZQTSYJCR-UHFFFAOYSA-N	403.441	3.868	10	20	HHCD	
Cc1nc2ccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2n1C	793575665	AJCSFEQTDXESEP-INIZCTEOSA-N	414.456	3.882	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)sc2c1CCCC2	1320707575	WHBCRFLTUZWIPG-HNNXBMFYSA-N	412.511	3.892	10	20	HHCD	
CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)nc1	1264905302	QOVMVXAKMMGWRJ-UHFFFAOYSA-N	423.494	3.505	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC	4341275	NZXNQYIEJAEOGP-SXGWCWSVSA-N	401.465	3.808	10	20	HHCD	
CCNC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1	7093593	VWZQCEYCGMWXNO-UHFFFAOYSA-N	419.481	3.639	10	20	HHCD	
COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(N(C)C)cc2)cc1	7113846	WZWRUTLPNAUGKT-UHFFFAOYSA-N	403.482	3.944	10	20	HHCD	
COc1ccc(N2CCCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1	53575436	BJHLDIYQXSBKPG-UHFFFAOYSA-N	400.486	3.517	10	20	HHCD	
C[C@H](NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)cc1	302833119	LNMRBZCOGPGRAY-OXJNMPFZSA-N	402.922	3.904	10	20	HHCD	
C[C@H](Nc1ccc(S(=O)(=O)C(C)(C)C)nc1)c1ccc(N2CCOCC2)cc1	301610260	CEUMYJVAWWFUGK-INIZCTEOSA-N	403.548	3.664	10	20	HHCD	
Cc1ccc2c(C3=CCN(c4cc(N5CCCC[C@@H]5CO)ncn4)CC3)c[nH]c2c1	434091355	DILQSYDKXTWROH-LJQANCHMSA-N	403.530	3.911	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccnn3-c3nc(C)cc(C)n3)ccc21	433565503	ORQBQLXIAAJQKW-UHFFFAOYSA-N	418.501	3.749	10	20	HHCD	
CC(C)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1	804708787	UFMWVNPIPGUTLT-KRWDZBQOSA-N	410.923	3.587	10	20	HHCD	
COc1cc(CNCc2c(C)c3ccccc3n2C)ccc1OCC(=O)N1CCCC1	475194392	VMKDRPONLKANFX-UHFFFAOYSA-N	421.541	3.786	10	20	HHCD	
CCc1c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cnn1C(CC)CC	472780354	AEFVQUCVAWUGAA-UHFFFAOYSA-N	409.534	3.862	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)ccc21	806634175	FZVKQIIYPIXJLZ-LJQANCHMSA-N	407.436	3.621	10	20	HHCD	
Cc1cc(=O)oc2cc(OCC(=O)NCc3cc(Cl)cc(Cl)c3O)ccc12	807836513	ZBCIWCAKOXOBGG-UHFFFAOYSA-N	408.237	3.809	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ccnc(Cc3ccccc3)n2)CC1	480848651	DKYUKILCMJTGHH-UHFFFAOYSA-N	424.504	3.890	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1-c1ccncc1	815370108	YSAMFCKQHDRIAJ-UHFFFAOYSA-N	402.498	3.720	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1	812436634	KBDJKTQHLDKDJU-QAQDUYKDSA-N	405.539	3.865	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F	726602089	XNYUTNCNUVBROG-UHFFFAOYSA-N	414.449	3.683	10	20	HHCD	
C[C@H](NS(=O)(=O)/C=C\c1ccccc1Cl)c1ccc(N2CCOCC2)cc1	727458481	ZSEMEAZMUVRDAJ-IZNAZMGOSA-N	406.935	3.828	10	20	HHCD	
CCCN(CC)C(=O)c1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	729178561	NOZZCUAHDZGJQQ-UHFFFAOYSA-N	423.557	3.920	10	20	HHCD	
CC(C)OC(=O)Cc1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cs1	731844938	RUIWBKSLQBZWJZ-SFHVURJKSA-N	404.532	3.524	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@@H]2OCCc3ccccc32)cc1	734432717	QAUWLTPBUDIQMO-VWNXMTODSA-N	408.542	3.964	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(n2cc(Br)cn2)CC1	734687514	FUZNGHLCMHRYFW-UHFFFAOYSA-N	420.355	3.567	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1	734191035	NWZPGZFDNUCDGD-QAPCUYQASA-N	404.894	3.588	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](c4ccco4)C3)cc2F)C[C@@H](C)O1	732241116	BIEVRYFFYRTYBI-JFIYKMOQSA-N	401.482	3.731	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c(C)n1-c1ccccn1	733183581	IJRGLPXWRBHRCI-CALCHBBNSA-N	412.534	3.959	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(N3CCOC3=O)c2)cc1F	731362257	ZEEILJBZTGFBPM-UHFFFAOYSA-N	400.454	3.950	10	20	HHCD	
COc1ccccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	731058930	HPBFZDQNNYAHQI-UHFFFAOYSA-N	415.496	3.504	10	20	HHCD	
CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918223739	JRZZQGUNLVBWFY-GOSISDBHSA-N	403.523	3.943	10	20	HHCD	
CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	919454939	FPNJXZXQCRKLME-LJQANCHMSA-N	410.514	3.777	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2cccn2)cc1	742797258	AETJGBYDLKYLQI-KRWDZBQOSA-N	412.440	3.873	10	20	HHCD	
C[C@@H](COc1ccc(F)cc1F)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	919922120	OHXHVRBYGNZLRV-MAUKXSAKSA-N	420.456	3.829	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc(OC)c1C	917709974	LGTIXTZBKDDNED-GASCZTMLSA-N	416.493	3.695	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)cc1	918625057	OSBKCEFPJAXQSU-QFIPXVFZSA-N	410.562	3.673	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1	916745140	XQVIGGLDSAPPCX-HSZRJFAPSA-N	421.585	3.973	10	20	HHCD	
COc1ccc(NC(=O)COC(=O)c2sccc2-n2c(C)ccc2C)cc1OC	919569066	YHQMLJZHSJJXMF-UHFFFAOYSA-N	414.483	3.968	10	20	HHCD	
Oc1ccccc1CN(C[C@H](O)COc1cccc2ccccc12)C[C@H]1CCCO1	916633169	NRZFLFBQODARMM-FCHUYYIVSA-N	407.510	3.966	10	20	HHCD	
O=C(NCCCOC1CCOCC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	743925820	MSVMASJKAZHVQX-UHFFFAOYSA-N	410.474	3.742	10	20	HHCD	
CS(=O)(=O)C[C@H]1CCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	917121246	WZEGFWZFGHTGTD-KRWDZBQOSA-N	414.531	3.797	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCCOc2ccc(F)cc21	919792043	MTQUBIIFNAJSRY-NRFANRHFSA-N	413.493	3.718	10	20	HHCD	
O=C(c1cc(N2CCOC2=O)ccc1F)N(Cc1ccco1)Cc1ccccc1O	743432375	KSPLJUHLBASPSF-UHFFFAOYSA-N	410.401	3.924	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1	745492971	LXZOZJSUWNGOOU-HUUCEWRRSA-N	412.372	3.807	10	20	HHCD	
Cc1ccccc1[C@@H](CO)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	746761872	PTFGZOOAJIQBIN-HXUWFJFHSA-N	419.472	3.598	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCc4ccccc43)cc2F)C[C@@H](C)O1	916968151	PPNZYGCHBZXOKO-QZTJIDSGSA-N	411.521	3.508	10	20	HHCD	
CCc1ncc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1	747145847	KKLONFXOTPFAJP-NTEUORMPSA-N	418.569	3.721	10	20	HHCD	
CCOCCCN1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[C@@H](C)C1	745826400	ALOXILMWACWDPV-REWPJTCUSA-N	418.626	3.810	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O	748793361	FHOXNTGJQDJRQL-PTNGSMBKSA-N	424.500	3.840	10	20	HHCD	
CC(C)(CCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	753950229	NOIMRDAZWSZWES-HXUWFJFHSA-N	407.558	3.763	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cc(Br)c3c(c2)OCCO3)c1	756492045	ZCKDDACKCHJWDB-NSHDSACASA-N	422.275	3.563	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3COc4c(Cl)cccc43)CC2)cc1	757778809	YJSCBFJCNOCFGA-LJQANCHMSA-N	401.894	3.704	10	20	HHCD	
COc1ccc(-c2cncc(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)c2)cc1	758163460	QPTLCKSOKGHYNN-UHFFFAOYSA-N	421.472	3.867	10	20	HHCD	
O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(Cl)cc1F	758161167	AIXQCQYEWIDWSV-UHFFFAOYSA-N	414.625	3.991	10	20	HHCD	
C[C@H]1C[C@H](NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2c(O)ccc(F)c21	756732169	HLGUCJGSZUPNFD-KXBFYZLASA-N	418.534	3.664	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)ccc1N1CCCCC1	758522216	JOBSLXHBPPBTDH-NZQKXSOJSA-N	413.493	3.980	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC(Cn3ccnn3)CC2)cc1)C1CCCCC1	753045616	KDIIKWZCILYMNT-UHFFFAOYSA-N	410.566	3.669	10	20	HHCD	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754550002	CBIHMLRBQJJJNN-MRXNPFEDSA-N	424.456	3.992	10	20	HHCD	
O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754546146	YDVQWPQVQTXZMQ-UHFFFAOYSA-N	424.456	3.992	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2c(O)n1	768912538	NKADYRXWHVOZGK-KRWDZBQOSA-N	411.889	3.694	10	20	HHCD	
Cn1cc(NC(=O)NCc2cccc(Br)c2O)c(-c2ccccc2)n1	765339878	RHAJIXTYVCGAAG-UHFFFAOYSA-N	401.264	3.877	10	20	HHCD	
CC(C)Oc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	765979236	KAPUNUNJVPDCQL-GOSISDBHSA-N	402.560	3.559	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(CCCc3ccccc3)o2)cc1	768399436	PZZWTHPAPQROSM-UHFFFAOYSA-N	410.543	3.719	10	20	HHCD	
CCCCNc1ccccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	763961671	BOPCDUFURMVAKW-LJQANCHMSA-N	408.546	3.530	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC(OC[C@H]3CCCO3)CC2)ccc1N1CCCCC1	769190468	WBUMVPQYAONGOU-HXUWFJFHSA-N	403.523	3.745	10	20	HHCD	
COc1cc(CN2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c(O)cc1C	768439940	ASRRQLKTOZFUGR-GOSISDBHSA-N	422.529	3.946	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c1O	769502951	CHDAEGXRJVAWQK-GOSISDBHSA-N	419.319	3.617	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2	761749843	IVIZLWHBWWVNCO-UHFFFAOYSA-N	413.562	3.789	10	20	HHCD	
CCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	1117651575	LYPHUXICWQWIOU-UHFFFAOYSA-N	407.518	3.699	10	20	HHCD	
COC(=O)CN(Cc1ccc(OC(F)F)c(F)c1)Cc1cc(Cl)ccc1O	769379759	FPSZFZWEDGAOCK-UHFFFAOYSA-N	403.784	3.961	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(N(C)C)cc1	773083283	DTIBYDGLSJYLHA-NSHDSACASA-N	417.409	3.719	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2Cc1nnc(-c2ccc(Br)o2)o1	774754888	ZMIFQQKXIYEXGF-UHFFFAOYSA-N	405.252	3.557	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2)CC1	771515258	ZOPZYVPWAFYHJK-CYVLTUHYSA-N	401.601	3.972	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(Cn3cccn3)c2)cc1	784107243	CJAQNKJPWLGMPE-UHFFFAOYSA-N	417.513	3.676	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cnc(C2CC2)nc1)c1ccc(N)cc1	783487538	WNJBJNUXCRIACK-OAHLLOKOSA-N	401.470	3.669	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c(OC)c1	785542411	AWXJMVNTHUGIGS-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1	781805912	ATGRKSKFMWHALR-UXBLZVDNSA-N	412.486	3.764	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H](Oc2cccc(F)c2)C1)c1ccc(N2CCOCC2)cc1	784248698	WRZCXTKIIRPPCL-JTSKRJEESA-N	413.493	3.586	10	20	HHCD	
CCOC(=O)Nc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1	784112893	PJOLKBOPKLXSSU-UHFFFAOYSA-N	424.501	3.999	10	20	HHCD	
COc1ccc(O)c(CN(C)Cc2cccc(Br)c2OCC(C)(C)O)c1	786578795	JAGBQGPSYIJZHW-UHFFFAOYSA-N	424.335	3.945	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Nc3cccc4ccccc34)cc2)CC1	786049537	HKUBUTOUIFNASO-UHFFFAOYSA-N	402.498	3.830	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c(O)c1	792827664	PMBWYLDSKRNUBE-GOSISDBHSA-N	421.900	3.830	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCCc3nn(C)cc32)c(C)n1-c1cccc(F)c1	798755003	DGNADGNBOXGHFC-SFHVURJKSA-N	409.461	3.813	10	20	HHCD	
COCC[C@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(OC)cc1O	794382350	AGPDRSBXQHLUTN-OAHLLOKOSA-N	422.319	3.675	10	20	HHCD	
CN1CCN(c2ccc([C@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)cc2F)CC1	1317946801	ULEXGPRQDLMHFY-IBGZPJMESA-N	422.426	3.706	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1nc(C(C)(C)C)cs1	1338672682	VWXLXVHWLNNDRQ-OAHLLOKOSA-N	402.564	3.838	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@]2(C)C[C@H]2C)C3)cc1	1845399149	VWKMBDPWPLESOI-OSPHWJPCSA-N	405.542	3.957	10	20	HHCD	
OCC1CCN(c2ccc(CNc3ccc4nnc(-c5ccccc5)n4n3)cc2)CC1	53573679	WDWNPBDEWPILMQ-UHFFFAOYSA-N	414.513	3.612	10	20	HHCD	
COc1cccc(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1O	237421239	JAIKQILLSUMKNE-QGZVFWFLSA-N	408.420	3.873	10	20	HHCD	
Cc1ccc2c(C3=CCN(c4cc(N5CCCC[C@H]5CO)ncn4)CC3)c[nH]c2c1	434091353	DILQSYDKXTWROH-IBGZPJMESA-N	403.530	3.911	10	20	HHCD	
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCOc2cc(N(C)C)ccc21	608250461	RAAUVFQXIPDKEX-INIZCTEOSA-N	409.530	3.594	10	20	HHCD	
Cc1cc(-c2nc([C@H]3OCCc4ccccc43)no2)ccc1NC(=O)C1=S=CC=C1	546428930	FMTGFHXWXXWUDA-FQEVSTJZSA-N	417.490	3.923	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1	802209750	MWIBEGDNAOTGRK-YPAWHYETSA-N	421.541	3.861	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)c(O[C@H]2CCOC2)c1	472036739	FSEXEHPHLMWQHJ-IBGZPJMESA-N	407.514	3.962	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc2c(=O)n(CC)c(S)nc2c1	801549840	CVRPQDLBCBRLDE-UHFFFAOYSA-N	411.527	3.853	10	20	HHCD	
C[C@H](CNC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	808371088	LZNPTIPYQAFCNN-CQSZACIVSA-N	417.472	3.804	10	20	HHCD	
CC[C@@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1	807165994	PTHAMZBBDDNCOJ-QUCCMNQESA-N	411.546	3.959	10	20	HHCD	
O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)NCc1cc(Cl)cc(Cl)c1O	806826943	FVJPBTXPHBMSQS-UHFFFAOYSA-N	410.236	3.623	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	802609804	KYXRKKAQDWOXBL-UHFFFAOYSA-N	405.838	3.721	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2cc(Br)ccn2)CC1	480826817	IPDKCFHNXMPIEI-UHFFFAOYSA-N	412.287	3.667	10	20	HHCD	
CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1Cc1ccccc1	812053078	CYVHMHHWMZVUPI-UHFFFAOYSA-N	421.545	3.588	10	20	HHCD	
COCCc1ccc(OC[C@H](O)CN2CCCc3cc(OC(F)F)ccc32)cc1	815065492	FDYJAYJCHBSVSI-GOSISDBHSA-N	407.457	3.669	10	20	HHCD	
CCC[C@H](C)N1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1=O	728838839	PZKFQNJPIRSUKN-DOTOQJQBSA-N	413.484	3.681	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1	726626632	DRICGWMHUSEVBK-NTEUORMPSA-N	419.325	3.954	10	20	HHCD	
Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCc1ccc(N(C)C)c(F)c1	726250417	WDGASCMTVCFGEG-UHFFFAOYSA-N	406.889	3.682	10	20	HHCD	
CO[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	726612798	LAJPZFSXDCNRKW-HXUWFJFHSA-N	419.472	3.944	10	20	HHCD	
COc1cccc(COCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1	728837077	MKJLTNOMJOTSNZ-UHFFFAOYSA-N	410.436	3.869	10	20	HHCD	
CCOc1ccc(NC(=S)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1	730157730	XSDGXUSZNWSJLU-UHFFFAOYSA-N	416.566	3.853	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1	731284248	NOERMHSSKIVESE-LJQANCHMSA-N	411.546	3.735	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CCCN(C)C2)c(C)n1-c1cccc(Br)c1	731025183	NNVZNILKYHWKLF-INIZCTEOSA-N	404.352	3.928	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](N3CCCCC3)C2)c(C)n1-c1ccc2c(c1)OCCO2	730807979	DJJZTKGRJCMQGX-OAQYLSRUSA-N	423.557	3.608	10	20	HHCD	
Cc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1	732885353	AHCVOQQMUORKLG-NZQKXSOJSA-N	420.557	3.647	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(N(C)C)cc3C)cc2F)CC1	730134183	RGRUTFQAVRLZSZ-UHFFFAOYSA-N	413.541	3.664	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	730123509	RTRSJWNILYZRHD-HNNXBMFYSA-N	422.545	3.727	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2Cc2ccccc2C)c1	734143461	CJXDJJLKEDHDFU-VWLOTQADSA-N	422.569	3.943	10	20	HHCD	
CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(N(CC)CC)cc1	918625143	RFXVEXYYISACBE-UHFFFAOYSA-N	403.548	3.615	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C(=O)N2CCC[C@H](C)C2)cc1	918285552	MVLYCMVLBIKQSD-SFHVURJKSA-N	409.530	3.553	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@@H]1CCCc3occc31)c2[N+](=O)[O-]	731992344	KIYRFVJLRNUZSS-QGZVFWFLSA-N	416.389	3.771	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)cc1	916086839	FILUXEYRKCCMRL-UHFFFAOYSA-N	402.454	3.745	10	20	HHCD	
CNC(=O)c1ccc(OC)c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	916680372	ITSNJONYAGKGEM-UHFFFAOYSA-N	409.442	3.588	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccccn3)C3CC3)cc2F)C[C@@H](C)O1	918220526	KPWSZJCWEUIPDT-CALCHBBNSA-N	412.509	3.709	10	20	HHCD	
O=C(CCc1ccccc1Br)NCc1ccc(N2CCOCC2)c(F)c1	917711155	QWGKAGPEAMXCOS-UHFFFAOYSA-N	421.310	3.674	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1	743888865	GSEBPJBZNILRHC-UHFFFAOYSA-N	407.436	3.845	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc3nccnc3c1)c2[N+](=O)[O-]	917694316	YDXAHONBYALZBG-UHFFFAOYSA-N	424.372	3.566	10	20	HHCD	
CCN(CC)C(=O)CCCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	743346842	XEPKDVQJMWGXPU-UHFFFAOYSA-N	402.583	3.903	10	20	HHCD	
C[C@H]1CN(Cc2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cc2)C[C@@H](C)O1	743715660	AELOUCOMYPALIV-HDICACEKSA-N	408.542	3.810	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Br	746883439	CYNWQBKUXMAEDS-UHFFFAOYSA-N	421.310	3.788	10	20	HHCD	
CSc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	740656300	YMQPWQSHUHIPCJ-IAGOWNOFSA-N	400.544	3.890	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	748320184	FJPFLHXLHCORCX-JOCHJYFZSA-N	418.465	3.863	10	20	HHCD	
Cc1ccc(-c2nc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cs2)o1	919969669	CDDIUZMIXRFCAD-UHFFFAOYSA-N	411.527	3.850	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(F)cc2OC(F)F)C2CC2)cc1	743895502	KFIUNABNYKRWIG-UHFFFAOYSA-N	421.419	3.623	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1Br	742276732	JYLIURNDDSHIBY-UHFFFAOYSA-N	409.349	3.836	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCCC[C@@H]1C[C@H](O)c1ccco1	759470865	BKPKDKIXDKGUSJ-YADHBBJMSA-N	413.562	3.672	10	20	HHCD	
COc1ccc2cccc(CC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2c1	754033361	GTSBEVXAGPPXKN-UHFFFAOYSA-N	418.537	3.916	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@]12CCCO2	759407748	BENXZKNWULSXCR-TXTKFYIRSA-N	422.485	3.883	10	20	HHCD	
COC(=O)c1cccc(CS(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c1	751137482	SMGPAXYXNRGHJY-UHFFFAOYSA-N	417.527	3.844	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	762554609	JRFOVEXQQXHUDF-UHFFFAOYSA-N	415.465	3.507	10	20	HHCD	
O=C(CC1CCSCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	761973659	PALNDXBUSVPKSD-UHFFFAOYSA-N	402.482	3.692	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1	761968426	UWSTYLYVPDAYLJ-PRWKNARSSA-N	418.902	3.860	10	20	HHCD	
CO[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1Cl	763595621	QDCRIMZIVUVJPK-HRAATJIYSA-N	417.937	3.925	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1OC(F)F	1116484525	XQQCBCLNHXDLPA-AWEZNQCLSA-N	409.452	3.802	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CC(=O)O)C2CC2)c(C)n1-c1cccc(Br)c1	767074678	QQMHRPMTKNQOGI-QGZVFWFLSA-N	405.292	3.840	10	20	HHCD	
COC(=O)N1CCC([C@H](C)N[C@@H](C)c2cc(Br)cc(F)c2O)CC1	776860684	QAFKYFBSXONWJP-QWRGUYRKSA-N	403.292	3.811	10	20	HHCD	
COc1ccc(-c2csc(NS(=O)(=O)c3cn4c(n3)CCCC4)n2)cc1Cl	779793225	YBCNTBQNRVUHQF-UHFFFAOYSA-N	424.935	3.806	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3c[nH]cc3-c3ccc(C)s3)CC2)cc1	778611586	LDTDDVVCOXDSIS-UHFFFAOYSA-N	424.570	3.612	10	20	HHCD	
COCCO[C@H]1C[C@@H](CO)CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	772178261	YZKGZYQLZKSHCU-UTKZUKDTSA-N	412.490	3.980	10	20	HHCD	
C[C@@H](NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1ccc(N(C)C)cc1	773001652	VWYNZAZECFZBII-CYBMUJFWSA-N	403.408	3.843	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(OCCOC)cc3Cl)c2)CC1	770145936	DENKWXAVVHJRBJ-UHFFFAOYSA-N	417.937	3.759	10	20	HHCD	
O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	772805429	YLTFIRSKUPEGED-ICSRJNTNSA-N	423.340	3.903	10	20	HHCD	
CC(=O)N(c1ccccc1)c1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)cs1	772776195	OUROSSBQEOZSJY-NTMALXAHSA-N	410.451	3.996	10	20	HHCD	
C[C@H](NC(=O)c1oc2ccccc2c1CS(C)(=O)=O)c1ccc(N(C)C)cc1	773016918	DNBRUNWUGSLJGT-AWEZNQCLSA-N	400.500	3.534	10	20	HHCD	
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	775235807	UCSARWPKMPQKBY-CQSZACIVSA-N	411.462	3.559	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1	1115870830	GKAVHGFQSNNQSI-CALCHBBNSA-N	411.521	3.927	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(C)n1-c1ccc(C(C)C)cc1	775210528	GMIFEUXGHIHHKO-IRLDBZIGSA-N	411.546	3.583	10	20	HHCD	
O=C(NCCCNCc1cc(Cl)cc(F)c1O)c1ccc(Br)cc1	776153867	HWFADAPLHSTLGN-UHFFFAOYSA-N	415.690	3.857	10	20	HHCD	
CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cc(F)cc(C(C)=O)c2O)CC1	775303700	BVXRRCVFBGGZJE-HNNXBMFYSA-N	417.500	3.866	10	20	HHCD	
COc1ccc(NNC(=S)Nc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1	783746890	AWOYLPDWLWCNEP-UHFFFAOYSA-N	402.354	3.816	10	20	HHCD	
Cn1cc(-c2csc(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)n2)cn1	789735039	NBRWYJWUGBONMB-UHFFFAOYSA-N	407.279	3.790	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cccc4c3OCC[C@H]4OC)CC2)cc1	790568700	PADOGNYDDUOFJB-OAQYLSRUSA-N	411.502	3.909	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)c1ccc(N)cc1	793043426	VJWAUHBSAMJVDZ-INIZCTEOSA-N	415.497	3.744	10	20	HHCD	
COc1cc(Br)cc(CNc2ccc(F)c(N3CCOC3=O)c2)c1O	793315799	ZWYIIBYYRXTQLO-UHFFFAOYSA-N	411.227	3.871	10	20	HHCD	
CCOc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1S(=O)(=O)N(CC)CC	796392765	BBKFOIJPDQEIJS-UHFFFAOYSA-N	423.554	3.933	10	20	HHCD	
Cc1ccc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)c(O)c1O	791188109	PXCBAYTZMYROFW-UHFFFAOYSA-N	419.275	3.657	10	20	HHCD	
COCCS(=O)(=O)c1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1	1324331579	FWUBOPMDTLFNTC-UHFFFAOYSA-N	418.540	3.828	10	20	HHCD	
CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1816821067	DLCBXLUBCZGDDZ-CQSZACIVSA-N	406.870	3.580	10	20	HHCD	
C[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccsc1	801439644	BGSBSASQJKPOAJ-LLVKDONJSA-N	408.526	3.807	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCc1c(C)[nH]c(-c2ccncc2)nc1=O	801549098	FCYRZXNBGOKTHG-UHFFFAOYSA-N	420.513	3.607	10	20	HHCD	
CC[C@H]1CC[C@H](c2nc(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)CC1	809465053	PWVYFKNIINDSSM-IYARVYRRSA-N	412.534	3.653	10	20	HHCD	
CS(=O)(=O)c1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1	807986272	HGJANOFPEHSZHT-ZDUSSCGKSA-N	414.449	3.912	10	20	HHCD	
COc1ccc([C@H](O)C2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1	812903628	VPGQBQAXGDNMKB-HXOBKFHXSA-N	411.546	3.977	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@H](C)C1	812064305	PYLCEZCNTHYWTJ-GOSISDBHSA-N	409.534	3.614	10	20	HHCD	
COCC[C@H]1COCCN1C(=O)c1cc(C)n(-c2ccccc2Br)c1C	812743583	DZTSHEIYFJSDPV-INIZCTEOSA-N	421.335	3.734	10	20	HHCD	
FC(F)Oc1cccc(-c2nnc(NCc3ccc(N4CCOCC4)cc3)o2)c1	812346458	SKECCAYRNMLDJM-UHFFFAOYSA-N	402.401	3.787	10	20	HHCD	
COc1cc(F)c(F)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	810391247	ZOSHCEZXAZQFGA-UHFFFAOYSA-N	418.440	3.979	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(N2CCCOC2=O)cc1	814305589	KUCWWKQQYBKAIX-SFHVURJKSA-N	420.513	3.970	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)CCc1ccccc1Br	812271884	WYQPGHUKDVODEB-UHFFFAOYSA-N	400.294	3.538	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N(C)[C@@H]3CC(C)(C)OC3=O)cc2Cl)C1	813744186	CLWCNEUPSJCTNH-KBXCAEBGSA-N	407.942	3.812	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC(C3OCCO3)CC2)cc1)C1CCCCC1	726709919	UIVHRDFIBYUXJB-UHFFFAOYSA-N	401.551	3.750	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)c1	729536249	XVORYNVPUSHSKB-LLVKDONJSA-N	421.375	3.802	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)C2CC2)cc1	727606910	ZAKBQLWGMIRKRC-UHFFFAOYSA-N	416.566	3.826	10	20	HHCD	
COc1cccc(CNC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)c1O	732283825	ANOBIZZLZGHQMA-UHFFFAOYSA-N	400.862	3.970	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	731976301	VNMDBQURHSTWCZ-CHWSQXEVSA-N	421.856	3.931	10	20	HHCD	
O=C(/C=C\c1nc2ccccc2s1)NCc1ccc(N2CCC(CO)CC2)cc1	735828415	SYMPFZUKMYNAJJ-KTKRTIGZSA-N	407.539	3.835	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2c(F)cccc2Cl)cc1	730585036	NBNHHMPTHZWYKG-UHFFFAOYSA-N	405.901	3.714	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1	730824007	SLLDTPMTGNNLHB-UHFFFAOYSA-N	414.594	3.857	10	20	HHCD	
CN1CCC[C@H](N2CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)C1	738212221	HTBZVNKYXFCMTJ-SFHVURJKSA-N	418.379	3.520	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCOC1CCCC1	918651717	ZOXAGIHAMVVEIS-SSZFMOIBSA-N	424.613	3.805	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	734701841	KRRXICKNFJJTBJ-UHFFFAOYSA-N	424.545	3.609	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)c1O	737286228	SWVMRANHEIZGNJ-UHFFFAOYSA-N	412.486	3.615	10	20	HHCD	
CN(CC(=O)NCc1ccco1)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	916150814	QYARYUPBLPICAC-UHFFFAOYSA-N	405.458	3.882	10	20	HHCD	
COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	743958153	OGJHMVVOJYAEDH-UHFFFAOYSA-N	410.514	3.832	10	20	HHCD	
Cc1ccc(-c2ocnc2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	743315010	WCXGRFMRXHWNLU-UHFFFAOYSA-N	409.461	3.680	10	20	HHCD	
COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC	746979443	KIDZVYLXZHRKSL-SFHVURJKSA-N	401.482	3.956	10	20	HHCD	
CCO[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1(CC)CC	749613898	DBDWQWWQPYTSGJ-SFTDATJTSA-N	403.567	3.648	10	20	HHCD	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1	918198909	JTQFUBNDFGFZLM-GZTJUZNOSA-N	417.533	3.699	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(N4CCO[C@@H](C)C4)cc3)CC2)cc1	743180825	NXZWNEGAUVFUMQ-SFHVURJKSA-N	424.545	3.711	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccccc3C(C)(C)C)CC2)cc1	918460989	MAOARXWVFUVCLV-UHFFFAOYSA-N	409.530	3.670	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)N[C@H]1CCOc2ccccc21	919568467	AZGAYJHMMQEKND-KRWDZBQOSA-N	410.495	3.952	10	20	HHCD	
Cc1ccc(CN(CCn2ccc([N+](=O)[O-])n2)c2ccc3c(c2)OCCO3)s1	747959406	NUICRBYCVHFFJF-UHFFFAOYSA-N	400.460	3.639	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(Br)ccc2-n2cccn2)c1O	746724062	MTJXCWZBIBHQNQ-UHFFFAOYSA-N	417.263	3.671	10	20	HHCD	
CN1C(=O)COc2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc21	743248724	WZZVLSAFXJTUSY-UHFFFAOYSA-N	407.426	3.575	10	20	HHCD	
COc1ccccc1[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)N1CCCCC1	918000050	NJRONPZSHCEAJH-QFIPXVFZSA-N	410.562	3.788	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1	740070639	REJSZKPYNLPPTJ-UHFFFAOYSA-N	404.555	3.730	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1	918119313	SAXUKXUSRNFGFQ-LJQANCHMSA-N	424.520	3.986	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC(C)(C)c3cccc(OC)c3)CC2)cc1	749884935	BQTHNHYPGUXEQI-UHFFFAOYSA-N	411.546	3.950	10	20	HHCD	
COc1ccc([C@H](C)NC(=O)NCc2cccc(OC)c2O)cc1Br	745359771	SBAHLYGGRNDRKZ-NSHDSACASA-N	409.280	3.732	10	20	HHCD	
CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC2=O)cc1	742483050	DWQXWINJGXCYLM-FQEVSTJZSA-N	421.541	3.745	10	20	HHCD	
C[C@H](NC(=O)N1CCC([C@H](O)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	920920264	DOMWJNRJHPGMGT-YADARESESA-N	423.557	3.739	10	20	HHCD	
CCc1[nH]c(C(=O)N(CC)Cc2cc(Br)ccc2O)c(C)c1C(=O)OC	743809248	QGIGXYCKGMEYAA-UHFFFAOYSA-N	423.307	3.803	10	20	HHCD	
COCCOc1c(Cl)cccc1NC(=O)NCc1ccc(N2CCOCC2)cc1	921239680	WZKPDYKPVMXOSG-UHFFFAOYSA-N	419.909	3.524	10	20	HHCD	
CCc1nnc(O)c(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1CC	754668368	LFJUXOGFXFJFOF-UHFFFAOYSA-N	411.550	3.639	10	20	HHCD	
C[C@@H](N[C@H](CO)CC(F)(F)F)c1cc(Br)cc(Br)c1O	756775653	KHWWIYVJPVGTKA-SVRRBLITSA-N	421.051	3.881	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1noc(Cc2ccccc2)n1	753004359	VBCANQXFCBDIPS-KRWDZBQOSA-N	403.486	3.597	10	20	HHCD	
C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCCCSc1nccs1	752687384	JTNLJKSOIJDTPY-UONOGXRCSA-N	414.597	3.570	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCCCCC3CCCC3)CC2)cc(OC)c1OC	759271523	KFHBPWKHIIVCDW-UHFFFAOYSA-N	419.566	3.905	10	20	HHCD	
COC(=O)c1cccc(-c2nc(COC(=O)/C=C/c3ccc(O)c(O)c3)cs2)c1	759598730	XWVPJZVQISYQDM-SOFGYWHQSA-N	411.435	3.765	10	20	HHCD	
O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cc(Br)ccc2O)C1	769202430	RVVUNAYJDSLLPR-INIZCTEOSA-N	408.271	3.690	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCCNC(=O)C(F)(F)F	762770830	BVRXCKGFKOPYQA-UHFFFAOYSA-N	415.437	3.502	10	20	HHCD	
C[C@@H](CCNC(=O)NCc1cccc(Br)c1O)N(C)Cc1ccccc1	764791664	PHYYBAVCQUSWIO-HNNXBMFYSA-N	420.351	3.865	10	20	HHCD	
CC(C)(C)Oc1ccc(CNC(=O)NCc2cccc(Br)c2O)cn1	764808258	XIMDQACNEOBMPX-UHFFFAOYSA-N	408.296	3.726	10	20	HHCD	
Fc1cc(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)ccc1N1CCOCC1	769332193	KQNVNQSMXQPAKB-NRFANRHFSA-N	422.447	3.837	10	20	HHCD	
COc1ccc(C2(C(=O)NCc3cccc(Br)c3O)CCOCC2)cc1	765737262	SYXIRLSKYRTWCB-UHFFFAOYSA-N	420.303	3.528	10	20	HHCD	
CCOc1cccc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)n1	763105388	CISFZQFFOUPYHA-YBEGLDIGSA-N	402.497	3.903	10	20	HHCD	
Cc1c(NS(=O)(=O)c2cccc3nonc23)cccc1C(=O)Nc1ccccc1	765069005	UYHVJIUIDLNUPT-UHFFFAOYSA-N	408.439	3.584	10	20	HHCD	
COc1cc(OC)cc(N2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)c1	769543473	QBWOKZPYHLXDQN-UHFFFAOYSA-N	421.881	3.683	10	20	HHCD	
Cc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1O	779523456	CKHDYNXKODSJDE-IBGZPJMESA-N	413.518	3.762	10	20	HHCD	
Cc1cccc(F)c1S(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	772602633	PGTABOGYOOIMBG-UHFFFAOYSA-N	414.449	3.683	10	20	HHCD	
CCOc1ccc(CN2CCCN(Cc3csc([C@H](C)OC)n3)CC2)c(O)c1	770287802	CFFPAONYKZKPSK-INIZCTEOSA-N	405.564	3.663	10	20	HHCD	
C[C@H](NC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc(N(C)C)cc1	775583762	WOOHVZFRWWAGOP-INIZCTEOSA-N	412.559	3.824	10	20	HHCD	
CC(C)[C@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1	775260296	OJNPYNQDMPPXHY-KOSHJBKYSA-N	413.537	3.826	10	20	HHCD	
Cc1cccc(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1F	779817659	LROPOSBHAAEYJC-HZPDHXFCSA-N	404.457	3.582	10	20	HHCD	
O=C1N[C@@H](C2CCCCC2)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	777667015	MNMVYZJMZHYOPK-WMZOPIPTSA-N	407.461	3.758	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(N(C)C)cc1	773845452	GRFLKCLLFWYRIF-HNNXBMFYSA-N	424.526	3.604	10	20	HHCD	
CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2C1	779513854	LRUAORFNDHSATE-PKNBQFBNSA-N	410.470	3.895	10	20	HHCD	
COCCC1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCCCC1	773723989	KEZOPTDMBLAXII-UHFFFAOYSA-N	403.567	3.652	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	777939763	NJOKYXXIKDPKFD-UHFFFAOYSA-N	417.531	3.580	10	20	HHCD	
Cc1cc(=O)oc2cc(OCCN[C@H](C)c3ccc(N4CCOCC4)cc3)ccc12	775255346	MWMJSBWYZKYQTI-GOSISDBHSA-N	408.498	3.668	10	20	HHCD	
COCc1cccc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	779000966	NHHPBEOGJYVBAT-HXUWFJFHSA-N	402.922	3.515	10	20	HHCD	
COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	775286642	BDAYSZFXZOYELL-UHFFFAOYSA-N	406.287	3.915	10	20	HHCD	
Cc1ccc(F)cc1OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	786762480	WSVIHSUQSBEHTP-HZPDHXFCSA-N	404.457	3.582	10	20	HHCD	
COc1cc(N2CCN(CC[C@H](C)OCc3ccccc3)CC2)cc(OC)c1OC	789376780	GTLCWOGWBJAGSI-IBGZPJMESA-N	414.546	3.830	10	20	HHCD	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	786710837	QLPIRWQNUKNAGH-MRXNPFEDSA-N	403.420	3.535	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)cc1	786941203	UXWFJGZGUSLGBA-RTBURBONSA-N	409.530	3.586	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2ccn(C)n2)c(C)n1-c1cccc(C(F)(F)F)c1	782392350	REYJULXZFFGPQC-UHFFFAOYSA-N	419.403	3.815	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(N2CCOCC2)cc1	781373704	ULHIFAFREXPDQQ-ZJOUEHCJSA-N	414.594	3.536	10	20	HHCD	
COC(=O)C1(CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCOCC1	781894847	MXAZHGZPOFKVFZ-UHFFFAOYSA-N	424.501	3.868	10	20	HHCD	
CC[C@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C)cc1O	794809002	DIRWPTPIPTYSJS-NRFANRHFSA-N	402.560	3.736	10	20	HHCD	
COc1coc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1=O	798674591	WCXQJINEPMQLJA-UHFFFAOYSA-N	409.438	3.712	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c(O)c1	793075928	HSUOVBGZQRVXCC-AWEZNQCLSA-N	410.301	3.786	10	20	HHCD	
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1	1319420262	BLIWSMUQJDZJPW-UHFFFAOYSA-N	410.905	3.507	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](CO)CC2CCOCC2)c(C)n1-c1cccc(Cl)c1	1326461522	UFYMFHRJJVBFDY-SFHVURJKSA-N	404.938	3.903	10	20	HHCD	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)Nc1ccc2c(c1)OCCO2	17449340	OQIRAUGELZGUFN-UHFFFAOYSA-N	414.365	3.698	10	20	HHCD	
CCCCCCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1OC	7911789	UOFKMOOZHGKYIJ-CYVLTUHYSA-N	404.532	3.957	10	20	HHCD	
COC(=O)c1ccc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)o1	23512948	CBDFRPYMTADZMW-UHFFFAOYSA-N	424.792	3.852	10	20	HHCD	
C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccc(N2CCOCC2)cc1	237393594	BTKZZFNHLVOMDE-FQEVSTJZSA-N	422.573	3.630	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)n(C)c2ccccc12	472218732	DNQFDWCAPGZNOI-UHFFFAOYSA-N	404.514	3.591	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@](C)(CC(=O)OC)c3ccncc3)ccc21	486591397	BZYUJGFHFAHBCJ-DEOSSOPVSA-N	423.513	3.508	10	20	HHCD	
CCOc1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)cc1OC	727863518	CTJBBTCORFIEEY-PDGQHHTCSA-N	400.525	3.933	10	20	HHCD	
CCOc1cc(C(=O)Nc2cccc(N3CCCCC3)c2)ccc1OCC(=O)OC	728470327	JEGOTBYCXKFJTC-UHFFFAOYSA-N	412.486	3.880	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)c1	728954979	AOPBJCWGUCCUBB-DZGCQCFKSA-N	419.909	3.702	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c1	729062438	ARZHWALTNCWDJJ-OAHLLOKOSA-N	421.453	3.712	10	20	HHCD	
Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-]	731053692	XUSFDQZSBVKKMW-UHFFFAOYSA-N	412.446	3.978	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(=O)(=O)CC)ccc1Cl	731897525	QZRRKJAEPYNSGK-UHFFFAOYSA-N	408.951	3.862	10	20	HHCD	
Cc1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)c(C)n1-c1ccccn1	732661064	LJSRNIXNXFXKQI-UHFFFAOYSA-N	412.603	3.971	10	20	HHCD	
CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	735188005	USKPVMJYAWRRJU-UGKGYDQZSA-N	422.573	3.899	10	20	HHCD	
CC(C)Cn1ccc2cc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc21	737118079	ZGAQOMJDOKIZNG-UHFFFAOYSA-N	406.530	3.960	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cc(N4CCOC4=O)ccc3F)cc2)CC1	741688004	SGOPQPASARRAPB-UHFFFAOYSA-N	411.477	3.949	10	20	HHCD	
O=S(=O)(Cc1ccc(F)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742335248	ZEZYOZJRXJTIJU-MRXNPFEDSA-N	414.449	3.516	10	20	HHCD	
CCc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1S(N)(=O)=O	742424072	ATHKXMNPMUIOMB-UHFFFAOYSA-N	415.490	3.695	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1n[nH]c(C2CC2)c1Br	742468571	LTBFXJQYCPPMSL-UHFFFAOYSA-N	403.324	3.970	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=NO[C@H](c2ccccc2)C1	742797472	CSWDIFLXTZLSRW-JXFKEZNVSA-N	415.440	3.891	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc4cccnc34)cc2F)C[C@H](C)O1	745183653	XWGLPPHEVFUPLS-IRXDYDNUSA-N	422.504	3.987	10	20	HHCD	
Cc1nnc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc2)o1	746018831	NUMMHTKBHKHALJ-QFIPXVFZSA-N	420.513	3.932	10	20	HHCD	
CC(C)(C)OC(=O)NC1(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCC1	746887212	SUGDEYCVTMTCMK-GOSISDBHSA-N	418.534	3.737	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCC(=O)N(C)CCc3ccccn3)c2C)c1	749369581	LCAHQSBWMSDXQS-UHFFFAOYSA-N	418.541	3.537	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCC1	749737251	ZLVVEMHPQNKZOD-FQEVSTJZSA-N	421.501	3.804	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(-c2ccccn2)no1	751069908	SCEFQACXGQDPIP-UHFFFAOYSA-N	402.248	3.867	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)c1	751319002	QCMXZPRRLOZGBK-SNVBAGLBSA-N	410.854	3.781	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc4c(c3)CCC4)cs2)cc1	751935629	BKTKKFPSWFFZOA-UHFFFAOYSA-N	407.495	3.600	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)O[C@H]3CCCN(Cc4ccccc4)C3=O)cs2)cc1	751945441	NXLMJEZRPUFEOB-FQEVSTJZSA-N	421.522	3.664	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1F	753930488	ODJKGRBRUIGLHJ-SFHVURJKSA-N	411.399	3.970	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)CO[C@H](C)c3ccc(Cl)cc3)CC2)cc1F	754180304	TXJPAVNHPVATEF-OXQOHEQNSA-N	422.928	3.748	10	20	HHCD	
C[C@@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	755297411	LHWFVBHJLGJIKV-HNNXBMFYSA-N	401.473	3.816	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1CC(C)C	755578456	CYTFBYGZCNNERP-CALCHBBNSA-N	416.541	3.784	10	20	HHCD	
CC[C@@H](C)NC(=O)CCN[C@H](C)c1cc(Br)cc(Br)c1O	756458614	XUFTVDHZAXURTP-NXEZZACHSA-N	422.161	3.873	10	20	HHCD	
C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1cc(F)ccc1N1CCN(C)CC1	756542523	AYZWDMLCNJRVSJ-LSDHHAIUSA-N	402.470	3.603	10	20	HHCD	
C[C@@H](NC(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1ccc(N2CCOCC2)cc1	756946376	DNEWKMVPJWIJAY-MRXNPFEDSA-N	410.905	3.853	10	20	HHCD	
C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	758543027	FIQXXCSFHXEKRN-AEFFLSMTSA-N	424.536	3.629	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	759676028	OPFLRPLVCUVDAS-XMSQKQJNSA-N	412.530	3.970	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(C)nc4ccccc34)CC2)cc(OC)c1OC	759877353	HAAAYCAGOCBQIN-UHFFFAOYSA-N	407.514	3.891	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c(Cl)cc1F	761998983	DYIAACOSXQZKIN-UHFFFAOYSA-N	417.842	3.559	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F	762229769	ZUXHVHJUPSGUOC-MRXNPFEDSA-N	402.422	3.531	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3nncn3-c3ccccc3)ccc21	764362276	YMFUCCJRSLOBGP-UHFFFAOYSA-N	404.470	3.842	10	20	HHCD	
O=C(NCc1nc(C(F)(F)F)cs1)NCc1cccc(Br)c1O	764782711	HXQDKTZRBXOABD-UHFFFAOYSA-N	410.215	3.629	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1F	765330753	ZMJXEIPQYXPUKS-PGRDOPGGSA-N	413.493	3.586	10	20	HHCD	
C[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1cc2c(cc1O)CCCC2	765808806	KMHJNCOMYMMAAZ-INIZCTEOSA-N	400.544	3.662	10	20	HHCD	
CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	769400973	BQUQPMXXXSAZFB-QHCPKHFHSA-N	417.569	3.665	10	20	HHCD	
OCC[C@H](NCc1cc(Br)cc(Br)c1O)c1ccco1	769557556	SLKBGMSVZUVDGV-LBPRGKRZSA-N	405.086	3.724	10	20	HHCD	
CCOc1ccc(O)c(CN2CCCN(Cc3csc([C@H](C)OC)n3)CC2)c1	770288400	JRXCHTOHXREZRP-INIZCTEOSA-N	405.564	3.663	10	20	HHCD	
CN1CCN(c2ccc(CNCC3(c4ccccc4Cl)CCOCC3)cc2)CC1	771831273	UVWQKEFHLRMHJU-UHFFFAOYSA-N	413.993	3.930	10	20	HHCD	
COc1cc(C(=O)CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC	773012359	XKEPJNCJYFUZNY-OAHLLOKOSA-N	414.502	3.619	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C/c3ccn(-c4ccccc4)n3)SC2=S)c1	773143897	GIEZLIARICUREG-ATVHPVEESA-N	407.476	3.976	10	20	HHCD	
COc1cccc2cc([C@H](C)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)oc12	776159076	VSGIWBCJQUSCHJ-INIZCTEOSA-N	414.527	3.527	10	20	HHCD	
C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776245009	HBCRMIQSVBGHQW-SJORKVTESA-N	404.555	3.760	10	20	HHCD	
COCc1cccc(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	777696296	HOFWKWFUEUXVGS-SFHVURJKSA-N	404.457	3.762	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cc(C)ccc3Cl)CC2)cc1	778346226	PBBSZVFUYZTBSR-MDZDMXLPSA-N	413.905	3.501	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779503147	IPARRZZHWJYRRY-PDFOZTTASA-N	416.518	3.749	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H]3CCCN(C4CCC4)C3)CC2)cc1	781373095	ZFWKNZYYRRVXLF-OALUTQOASA-N	414.594	3.616	10	20	HHCD	
Cc1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)cnn1-c1cccc(C(F)(F)F)c1	782289298	VVOIQFHPGAMTCP-UHFFFAOYSA-N	420.343	3.650	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccccc2N2CCOC2=O)C2CCCCC2)cc1	784060430	ZLAQJENQZSGQJF-UHFFFAOYSA-N	422.485	3.530	10	20	HHCD	
Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785439858	XJCIOGDTJNGJBI-UHFFFAOYSA-N	415.537	3.906	10	20	HHCD	
CCCN(CCCN(C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	786783608	YVSJWUAPYGFHED-QGZVFWFLSA-N	412.525	3.630	10	20	HHCD	
Oc1ccccc1CN(C[C@H]1CCCO1)C[C@H]1CN(Cc2ccccc2)CCCO1	788019615	LZIPHHOAODZRHG-DNQXCXABSA-N	410.558	3.664	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(NCC4CC4)nc3)cc2F)C[C@@H](C)O1	788288004	LXBMUNGYISOFCB-HZPDHXFCSA-N	412.509	3.586	10	20	HHCD	
CCOc1c(Cl)cccc1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	790232282	ZNOVRPXIFLWWKE-UHFFFAOYSA-N	402.922	3.776	10	20	HHCD	
CCc1cc(O)ccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	791153165	LQNDZRIMSKGTAD-UHFFFAOYSA-N	418.496	3.775	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)c(O)c1	792825817	BJLFFFFRAUMZSZ-QZTJIDSGSA-N	411.546	3.878	10	20	HHCD	
CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-]	792954255	KNKVNSDDTURNCL-UHFFFAOYSA-N	424.501	3.747	10	20	HHCD	
CC1CCC(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1	793100409	CZHVDWZPBXZMLJ-UHFFFAOYSA-N	414.468	3.754	10	20	HHCD	
COc1cc(Cl)cc(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1O	793605145	DVHLMKWYYGEBQV-UHFFFAOYSA-N	423.840	3.766	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2N)cc1	794852138	DKBNUOCEGKBLHQ-UHFFFAOYSA-N	405.546	3.940	10	20	HHCD	
Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)N(C)Cc1ccc(N(C)C)cc1	794853899	PVGJRJIHLIAKKZ-UHFFFAOYSA-N	416.529	3.552	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@@H]3CCC[C@H](c4ncccc4C)C3)CC2)cc1	798927398	SEMUOKFWVMBAIW-FCHUYYIVSA-N	408.590	3.837	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1	801548020	JHWUMXMYZTUUNY-HNNXBMFYSA-N	424.950	3.541	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	807256275	UUVJJLZEKAOFTB-UHFFFAOYSA-N	424.589	3.957	10	20	HHCD	
C[S@@](=O)Cc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	807560840	RTXMSOOHXFGART-GDLZYMKVSA-N	412.511	3.776	10	20	HHCD	
CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	807701752	KXOJLPRLBZFOHH-SFTDATJTSA-N	417.619	3.816	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1	808489289	LDKBTQVWMQABRP-IBGZPJMESA-N	423.435	3.934	10	20	HHCD	
COc1ccccc1Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCCO1	812443975	UHCWMXIYRLYZRA-HXUWFJFHSA-N	422.529	3.789	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)C3)c1O	814642215	FGONNVRHZVIHII-UHFFFAOYSA-N	406.498	3.957	10	20	HHCD	
O=C(CCN1CCOCC1)Nc1cc(NCc2ccc3ccccc3c2O)ccc1F	816524306	ZQCCHYWDCAFDAX-UHFFFAOYSA-N	423.488	3.957	10	20	HHCD	
CC(C)COc1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl	857439043	BHMPSZOHLARLGA-UHFFFAOYSA-N	421.900	3.676	10	20	HHCD	
Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC(F)(F)F	857476140	SKATWXPJHXECQE-HNNXBMFYSA-N	410.392	3.694	10	20	HHCD	
CN(CCCNC(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCCC1	916456080	JJMMFGRTBNYAQL-UHFFFAOYSA-N	404.624	3.694	10	20	HHCD	
CCCOc1c(Br)cc(C(=O)NCCc2ccc(O)c(O)c2)cc1OC	917355904	MWODDFQHZJQMNX-UHFFFAOYSA-N	424.291	3.630	10	20	HHCD	
Cc1cccc(C)c1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	917712960	YOAOYONKOTYFEE-HDICACEKSA-N	400.494	3.751	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1	917897248	BRZSCTMPWSHUBR-UHFFFAOYSA-N	406.460	3.694	10	20	HHCD	
COC(=O)N(C)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	919914574	HMRNRXXGXIYEMY-IBGZPJMESA-N	413.474	3.808	10	20	HHCD	
C[C@H]1CCc2c(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)csc2C1	919970535	JZWSHNSOONVUKM-AWEZNQCLSA-N	402.535	3.903	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(Cl)cc3C)CC2)cc1	920252932	RNOSEEABCOASTF-KTKRTIGZSA-N	413.905	3.501	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1	920474112	VRHYTSWYNPRTAZ-HXUWFJFHSA-N	401.919	3.651	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)/C=C(\C)c3ccc(F)cc3)CC2)cc1	921304918	UXZKYPOWPIWBDX-VHEBQXMUSA-N	411.521	3.566	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@](O)(C3CC3)C2)c(C)n1-c1cccc(Br)c1	1116846385	LEZKDZQSZHIIQR-HXUWFJFHSA-N	403.320	3.844	10	20	HHCD	
CNS(=O)(=O)c1ccc(-c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)cc1	1341253546	ZMEHYLQUYBLKGT-UHFFFAOYSA-N	408.483	3.719	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3nccs3)C2)cc1	1842525149	ZPIADBOVPHRLIN-UHFFFAOYSA-N	420.538	3.681	10	20	HHCD	
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1ccc2c(c1)CCCN2C	109467925	BAOJFMSENLELDJ-JOCHJYFZSA-N	407.558	3.838	10	20	HHCD	
Cc1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c(C)n1-c1ccccn1	108840830	OQOSGDLTBRVRCZ-UHFFFAOYSA-N	423.561	3.726	10	20	HHCD	
CCCCOCCOCc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1	63635131	ZXCMPHVHKVAVNC-UHFFFAOYSA-N	421.544	3.825	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1OC	63617251	YVBSRXTWIIAYHU-UHFFFAOYSA-N	405.498	3.937	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](CCC(N)=O)C3)c2C)c1	110628461	PYRCBJYEUIJCQT-SFHVURJKSA-N	413.587	3.976	10	20	HHCD	
C[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1ccc(N2CCOCC2)cc1	148477029	BOEXOZRVDAXLQL-KRWDZBQOSA-N	403.486	3.548	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cc(Cl)cc3cccnc23)n(C)c2ccccc12	525930110	DQAZAGHAZQKXPX-UHFFFAOYSA-N	406.873	3.943	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCc2cccc(OCCN3CCOCC3)c2)c1O	808680980	SHLFHENXBZPNGA-QGZVFWFLSA-N	404.938	3.916	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1	807651441	ZEYZUAFWXGGSDQ-PCCBWWKXSA-N	423.557	3.959	10	20	HHCD	
C[C@@H](c1nccn1-c1ccccc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	806672916	SIXXAOAJLIRZTA-AWEZNQCLSA-N	410.861	3.757	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	801596911	TVDSQKQCOHOWQV-OAHLLOKOSA-N	401.463	3.938	10	20	HHCD	
CCOC(=O)c1cn(CCNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cn1	807972723	UZNXYWRZLDAFQT-UHFFFAOYSA-N	414.893	3.551	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(I)c(F)c2)c1	729536211	XGTMZSHHXNTAIW-VIFPVBQESA-N	415.202	3.636	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H]2CCCCNC2=O)c(C)n1-c1ccc(Br)cc1	728702793	NPRNFJYECOGLCF-GOSISDBHSA-N	418.335	3.597	10	20	HHCD	
CN1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)[C@H](c2ccccc2)C1	728195982	MXVQMSDOQMTZDX-QFIPXVFZSA-N	402.494	3.818	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1csc(Cc2ccccc2F)n1	735464410	VNCJNXBKXCUGLM-UHFFFAOYSA-N	411.502	3.640	10	20	HHCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	731909672	IORSTPROGVODQK-ZETCQYMHSA-N	404.322	3.565	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)SCc3ccccc3)cc2F)CC1	730192464	AKNHFGOSGYHBHK-SFHVURJKSA-N	415.578	3.906	10	20	HHCD	
CN(CCOc1ccccc1F)C(=O)CN(Cc1ccccc1O)C1CCCC1	732205241	MCUWLCAYHTWMTE-UHFFFAOYSA-N	400.494	3.813	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(N3CCOC3=O)c2)cc1F	731364355	XTBILMWWQZYDTF-UHFFFAOYSA-N	414.481	3.628	10	20	HHCD	
CO[C@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1	918203025	UKVGDYYIYQEUEV-HYFFOGBASA-N	415.509	3.626	10	20	HHCD	
COC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(C)o1	746756531	DRYROIGJXPKESC-FCEWJHQRSA-N	419.497	3.528	10	20	HHCD	
CCCCN(CC(=O)c1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1	916645217	XLOPCDSJRRLFLS-HXUWFJFHSA-N	402.560	3.566	10	20	HHCD	
CC(C)OC(=O)C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1	746985329	MGSIUVNIAIJFAA-NRFANRHFSA-N	409.530	3.951	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1	742245743	OVWRGTWIDOQWNI-DEOSSOPVSA-N	409.574	3.781	10	20	HHCD	
O=C(Nc1nnc(-c2ccco2)s1)N(Cc1ccccc1O)C[C@H]1CCCO1	916691624	ABRZTLDTVUGCGJ-CQSZACIVSA-N	400.460	3.717	10	20	HHCD	
O=[N+]([O-])c1cc(CNC2CCN(Cc3ccccn3)CC2)ccc1N1CCCCC1	916835080	ISTYJKYDAXULCV-UHFFFAOYSA-N	409.534	3.734	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3C)ccc21	680557328	HVGIMRZBVIJPBK-QHCPKHFHSA-N	419.525	3.526	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)Oc3ccc(SC)cc3)CC2)cc1	740650078	BNFDWKIKGMNNJP-QGZVFWFLSA-N	400.544	3.923	10	20	HHCD	
Cc1cc(C(=O)COC(=O)/C=C\c2cnn(C)c2)c(C)n1-c1ccc2c(c1)CCC2	920039797	MCGGJQKUTKRQDU-YFHOEESVSA-N	403.482	3.756	10	20	HHCD	
C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC(C)(C)O1	920887363	IZLPTINVGZTAOK-NWFCWYBLSA-N	424.613	3.755	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1C)[C@H](c1ccc(C)cc1)n1cncn1	756702384	NZXQJLAKWMQAMA-PKTZIBPZSA-N	420.561	3.828	10	20	HHCD	
COc1cc(N2CCN(CCCOc3ccccc3C)CC2)cc(OC)c1OC	759886190	JIUULVGGNJKEPL-UHFFFAOYSA-N	400.519	3.612	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@H](O)c2cccc(F)c2)cc1	758012151	BSWAUTGLEDMPSG-YADHBBJMSA-N	400.494	3.523	10	20	HHCD	
CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C1(CC)CC	752918815	ZWNZHMSSYHSYBE-NHCUHLMSSA-N	403.567	3.648	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)cc1	759520435	ZIWBCTNMUMIXEW-UHFFFAOYSA-N	407.511	3.538	10	20	HHCD	
Cc1ccc(O)c([C@H](C)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)c1	756537612	YOWPFJHKMUMHLN-FQEVSTJZSA-N	417.594	3.629	10	20	HHCD	
CN(C(=O)NCCCSc1nccs1)[C@@H]1CCN(c2ccccc2Cl)C1=O	759588909	FTCMBLBLTWLXOS-OAHLLOKOSA-N	424.979	3.726	10	20	HHCD	
CCN(CC(=O)N(C)Cc1ccccc1Br)c1ccc(OC)c(OC)c1	921061094	NQQSBPLELZZRAH-UHFFFAOYSA-N	421.335	3.951	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CN1Cc1ccccc1	757775605	YFYWLFCEKQZXRN-WTIAFYNJSA-N	423.557	3.746	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)c(C)n1-c1cccc(Br)c1	758816296	NMUFWMAVFADWHZ-MRXNPFEDSA-N	413.319	3.867	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1Cc1ccccc1	751098434	SIYPROOQZUEGOF-OFNKIYASSA-N	404.558	3.915	10	20	HHCD	
C/C(=C\c1ccccc1Cl)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	755608660	MLDZWDMECRBRAT-NRMGUKERSA-N	411.933	3.761	10	20	HHCD	
C[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCOCC2)c(F)c1	765252991	UUUNGHUNORXITF-SFHVURJKSA-N	411.521	3.636	10	20	HHCD	
CC(C)CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@H](O)c1ccc(F)cc1	769446667	PUDJPKWPGZSUJV-QHCPKHFHSA-N	404.501	3.993	10	20	HHCD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	765976722	SRLUQYYWCBCJJE-WMZOPIPTSA-N	418.335	3.501	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(C)c1	767686707	PHODPRPYFXOKPU-UHFFFAOYSA-N	418.541	3.900	10	20	HHCD	
O=C(NCc1csc(-c2ccco2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	764374545	MHKURRYXQLTXTC-QGZVFWFLSA-N	413.499	4.000	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CC4(CCC4)Oc4ccccc43)cc2)C1	765250190	BSZHPFSKUCSOAV-UGKGYDQZSA-N	405.542	3.924	10	20	HHCD	
CN(C)S(=O)(=O)c1ccc(Sc2ncc(C(C)(C)C)s2)c([N+](=O)[O-])c1	763367642	OKMYBPNJWYPIJT-UHFFFAOYSA-N	401.535	3.750	10	20	HHCD	
O=C(Nc1cnn(C(F)F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	772480717	KFQQPBNUYXRHRZ-NSHDSACASA-N	401.364	3.670	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc(C(C)C)[nH]3)c2C)cc1	1116116266	LAJCRQHQNAWJSJ-UHFFFAOYSA-N	423.469	3.767	10	20	HHCD	
Cc1c(C(=O)O)cccc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	871793075	ZTVXAPDALOZQPI-UHFFFAOYSA-N	402.516	3.504	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCC2(c3ccc(Cl)cc3)CCOCC2)c1O	774976782	SOWZLIKWSUEGBE-UHFFFAOYSA-N	406.866	3.800	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1O	775010923	GXWUDYCEBVXHKE-MRXNPFEDSA-N	423.872	3.856	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1	775371771	ROIKGMZSUDHLBM-FZKQIMNGSA-N	406.429	3.848	10	20	HHCD	
CC[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N(C)C)cc1	772952544	HPZNNTHUQFNRTR-HSZRJFAPSA-N	415.603	3.894	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	770761391	LSWAUYIEDJSDAL-HOIFWPIMSA-N	415.509	3.799	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1	784108226	LBIVQAUXYYCUNH-UHFFFAOYSA-N	405.498	3.950	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(F)ccc(Br)c3F)CC2)cc1	781863160	IGSBGDUNRXTZMO-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(O)c1	796349924	GMMQUDIMWXKXSK-IBGZPJMESA-N	418.493	3.723	10	20	HHCD	
O=C(c1cccc(O)c1O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1	790528713	VECCGHGEOMWULU-UHFFFAOYSA-N	412.486	3.923	10	20	HHCD	
CCc1cc(C)cc(CC)c1NC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	796785706	QAXZAFZDZAYYKD-UHFFFAOYSA-N	423.557	3.852	10	20	HHCD	
Cc1nc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)co1	1845398125	BBXQLLLUTFKREP-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
C/C=C(/C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1	1781754536	ZSHMJNXDQBBGMR-XNZZAWACSA-N	421.541	3.504	10	20	HHCD	
CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1	21958457	QTMQDZJQRYNIET-QGZVFWFLSA-N	419.481	3.638	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1	28643278	IWNFKQKZWQDQNN-UHFFFAOYSA-N	414.509	3.998	10	20	HHCD	
C[C@H](NC(=S)NCCSc1ccccc1)c1ccc(N2CCOCC2)cc1	65222378	FVIPXSJWXMXSOT-KRWDZBQOSA-N	401.601	3.841	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1	110467337	VPMLACWLKSXGCQ-UHFFFAOYSA-N	414.449	3.661	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C	303350601	NNSQAGSSHBGTJM-UHFFFAOYSA-N	416.428	3.935	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1sccc1Br	386399617	KSYSEQORRIIWFZ-UHFFFAOYSA-N	403.367	3.787	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCc4cn(C(C)C)nc4C3)ccc21	481894838	PNELHMIXZODQJA-HXUWFJFHSA-N	408.546	3.969	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c(OC(C)C)c1	519837830	FXJZCYFIHMDFCT-UHFFFAOYSA-N	407.514	3.515	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCNC(=O)[C@H]3c3ccccc3C)ccc21	680557327	HVGIMRZBVIJPBK-HSZRJFAPSA-N	419.525	3.526	10	20	HHCD	
CN(c1ccccc1)c1ccc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)O)cn1	684761226	VMYVHJBCRILDDK-WYMLVPIESA-N	412.449	3.814	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3csc(-c4ccccn4)n3)SC2=S)cc1	726626317	APUNHEGTCBUYLN-OQLLNIDSSA-N	424.532	3.710	10	20	HHCD	
CCC[C@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccccn1	730125380	GPFXSJBDGQUVIJ-NRFANRHFSA-N	413.541	3.703	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)COc3ccc(C(C)C)cc3)cc2F)CC1	730192552	GFYBJCVHCWRIQH-UHFFFAOYSA-N	413.537	3.786	10	20	HHCD	
COc1cccc(C2(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CCCC2)c1	731166813	YRPMAINVQYKBJM-UHFFFAOYSA-N	412.505	3.799	10	20	HHCD	
CCN1CCN(C(=O)CC2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)CC1	731209656	RVFKZTREOMYVMM-UHFFFAOYSA-N	401.595	3.590	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1F	731363805	ARHLCSJGFBDAKH-HNNXBMFYSA-N	412.509	3.751	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(OCCNC(=O)c3cc(O)cs3)c2)cc1	732301709	GYAYZUOYOIASDE-UHFFFAOYSA-N	412.467	3.523	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)c1	732882105	XNKPNVJSHKJFLP-AWEZNQCLSA-N	406.504	3.607	10	20	HHCD	
O=C(NCCCSc1nccs1)c1nn(-c2ccc(F)cc2)c2c1CCC2	733972098	LDRNFZYKYMSCAU-UHFFFAOYSA-N	402.520	3.869	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c(C)n1-c1ccccc1Br	733984605	GXVJVURPTYASDS-OAHLLOKOSA-N	413.319	3.867	10	20	HHCD	
COc1ccc(-c2nnc(SCC(=O)NCc3ccc(N(C)C)cc3C)o2)cc1	734405583	UFUNCSLXBRTBCO-UHFFFAOYSA-N	412.515	3.528	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1ccc(OCC(F)(F)F)cc1	735315124	BXEFJCDJXLKAAC-UHFFFAOYSA-N	412.480	3.545	10	20	HHCD	
C[C@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1	737519238	ANQSSAZOHKTBFQ-KRWDZBQOSA-N	419.566	3.784	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1	741677968	GFRYRYYJFIMDOY-HXUWFJFHSA-N	424.589	3.828	10	20	HHCD	
CC(C)=CCOc1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1	741914276	QDNXONLPXYPJFQ-UHFFFAOYSA-N	414.527	3.519	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3c(C)nn(CC)c3C)n2)cc1	743046975	TZLGLUFAFHIUHN-UHFFFAOYSA-N	406.533	3.843	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cncc(C)c3)c2C)cc1	745506569	FOSAXBAGJHWCOU-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
CCOc1c(OC)cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1OC	750896878	VTUQLMYSOZHIFW-MHWRWJLKSA-N	402.497	3.903	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(C)nn2C2CCN(C)CC2)cc1	751011067	JIEHASRVIZOISN-UHFFFAOYSA-N	412.582	3.968	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)cs2)cc1	751936471	IABPNWUVFOUFCZ-UHFFFAOYSA-N	410.411	3.723	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc(C(F)(F)F)c1	753813496	UXRDTPPROSWKFY-UHFFFAOYSA-N	405.420	3.869	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3nnnc3Cc3ccccn3)c2C)cc1C	754459200	XZBKQZWZRNKICW-UHFFFAOYSA-N	400.486	3.566	10	20	HHCD	
CCN(CC)c1ccc(CN[C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)O)cc1F	756386723	IZTVNIYMUHECDL-IBGZPJMESA-N	416.493	3.619	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC(=O)Nc2cc(C)c(Cl)cc2OC)c1	756634687	CSTVBARYKMMMLY-CYBMUJFWSA-N	420.893	3.829	10	20	HHCD	
COc1ccc(C(C)(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	757614642	LPAXNWMGEHJCGI-QGZVFWFLSA-N	412.530	3.695	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3csc(-c4ccc(C)n4C)n3)CC2)cc1F	759324600	NLIZBYDUJJCHSG-UHFFFAOYSA-N	414.506	3.567	10	20	HHCD	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2	759589463	SHFPLFXBYBZYTG-GECXOHMQSA-N	409.482	3.799	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2ccsc2C1	761047399	VSIFJQLGUBWNJZ-UHFFFAOYSA-N	420.537	3.515	10	20	HHCD	
C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N2CCCCC2)cc1	765286379	PPUINZOHIATUAG-GOSISDBHSA-N	401.576	3.778	10	20	HHCD	
CC(C)Oc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	765979476	KAPUNUNJVPDCQL-SFHVURJKSA-N	402.560	3.559	10	20	HHCD	
CCOc1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c(O)c1	767193792	XMKHLZDXTYBKNS-MRXNPFEDSA-N	408.420	3.700	10	20	HHCD	
CS(=O)(=O)CC1(CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)CC1	767426846	TUOLRHPYMNAFHO-YVMONPNESA-N	413.539	3.802	10	20	HHCD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCc3ccc(O)c(O)c3)c12	770631203	SRPRQACKUYRUKO-UHFFFAOYSA-N	408.502	3.756	10	20	HHCD	
Cc1nc2n(n1)C[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)CC2	772100393	RSPOTGIUSXWSCK-KRWDZBQOSA-N	403.490	3.813	10	20	HHCD	
C[C@H](NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(N(C)C)cc1	773243218	LLYLGFCGYSKISN-JKSUJKDBSA-N	402.489	3.918	10	20	HHCD	
CC[C@@H](CSC)N(C)c1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-]	773258290	BDEQMRFVXVNLEI-QMMMGPOBSA-N	408.274	3.852	10	20	HHCD	
CCCCOc1ccc(OC)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773845567	IDPACGJUDJWBLC-MRXNPFEDSA-N	413.518	3.756	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1cnn(CC(F)(F)F)c1	775152032	OBPJEXCQBCWJNI-UHFFFAOYSA-N	406.386	3.509	10	20	HHCD	
CC[C@@H](NC1CCN(CCC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1O	775504220	VXJWYQVKIOAAPM-MRXNPFEDSA-N	402.366	3.682	10	20	HHCD	
C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cc(Cl)cc(F)c1O	779191289	OVJLLHSWMJFSCB-ZDUSSCGKSA-N	412.914	3.918	10	20	HHCD	
Cc1cnccc1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	779341512	BFSZWMUCLSERHM-MHWRWJLKSA-N	417.581	3.749	10	20	HHCD	
O=C1CCCN1CC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)c2ccccc21	780779191	QWHBIDCWOWWHCM-OAQYLSRUSA-N	405.542	3.640	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)C[C@H](C)c3nccs3)cc2F)C[C@@H](C)O1	784223698	RLHOFGLRWXBOQJ-HRCADAONSA-N	420.554	3.841	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ccc(S(C)(=O)=O)s3)c2C)c1	787516581	AHIVRNSUNCKVTQ-UHFFFAOYSA-N	402.541	3.798	10	20	HHCD	
Cc1ccccc1-c1noc(C)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	793119877	HPSUTBSHYGRUGL-UHFFFAOYSA-N	409.461	3.864	10	20	HHCD	
COCc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	795802832	IEEGMENVNHECGI-UHFFFAOYSA-N	406.548	3.507	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c(O)c1	797612610	FTKDRVRDMMGRTN-HZPDHXFCSA-N	411.502	3.841	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N(C)C)cc1	799975217	KTQOLJRBMSGGES-XMSQKQJNSA-N	404.514	3.716	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNc2cccc(NC(=O)C(N)=O)c2)cc1	800892399	BYHVPSASYOBXJP-UHFFFAOYSA-N	402.498	3.749	10	20	HHCD	
NC(=O)c1ccc(NCc2cccc(Br)c2O)cc1N1CCCCC1	802652118	LYSKTLHFJJRNKH-UHFFFAOYSA-N	404.308	3.856	10	20	HHCD	
O=C(N[C@H](CC1CC1)c1ccccc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	806292661	GGRJPVVWTRWZDG-FGZHOGPDSA-N	422.525	3.557	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1(N2CCOCC2)CCCCC1	806294954	KYOWINILUJVBER-UHFFFAOYSA-N	416.349	3.533	10	20	HHCD	
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	806496293	SXVDQJLDHMNGQD-JMUQELJHSA-N	420.557	3.681	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c(F)cc1Br	806846758	WKHIFAOPLKRGCO-UHFFFAOYSA-N	422.298	3.560	10	20	HHCD	
CCc1cccc(CC)c1NC(=O)C(=O)NCc1cc(Br)ccc1O	807386603	BMDPWTJHJSOSEB-UHFFFAOYSA-N	405.292	3.534	10	20	HHCD	
COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C	808109684	AKWXWBFUJCLLMF-UHFFFAOYSA-N	412.895	3.739	10	20	HHCD	
CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cccnc1	809248048	MVOQMOQNXXCSSU-HSZRJFAPSA-N	422.573	3.586	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)nc1	810213873	YIIMRBLMFSMMSI-HNNXBMFYSA-N	404.352	3.904	10	20	HHCD	
Cc1ncc2n1CC[C@@H](C(=O)NCc1ccc(N3CCC[C@H](C)C3)c(Cl)c1)C2	811495866	RXWKKJHSOLKKEP-MAUKXSAKSA-N	400.954	3.960	10	20	HHCD	
C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(N2CCCCC2)c(F)c1	812742846	XVIQGTATVBXDKS-SFHVURJKSA-N	410.537	3.921	10	20	HHCD	
CCOc1ccc([C@@H](O)C2CCN(Cc3cc(OC)c(OC)cc3O)CC2)cc1	812776643	NADCWEIIFUKUCK-HSZRJFAPSA-N	401.503	3.754	10	20	HHCD	
C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1=O	815155498	IWVMXMGOFGCSHR-MBSDFSHPSA-N	411.521	3.504	10	20	HHCD	
COc1cccc(C(=O)CCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	815860600	SORLCRITPDUDQY-NRFANRHFSA-N	411.498	3.962	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(CNCc3cc(Cl)c(F)cc3O)cc2)C[C@@H](C)O1	816539987	ATSTZFRCWLWAQN-OKILXGFUSA-N	406.885	3.724	10	20	HHCD	
Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n(Cc2ccccc2)n1	915343624	QHQZNOLNVVORSD-UHFFFAOYSA-N	419.529	3.740	10	20	HHCD	
CN(C)CCOc1ccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	916385944	KJBFCMKPYUJPAW-UHFFFAOYSA-N	424.589	3.959	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(-n4cccn4)c3)cc2F)C[C@@H](C)O1	916682048	CJXZLNNLTGHAQR-CALCHBBNSA-N	423.492	3.947	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1csc(-c2ccc(F)cc2)n1	917708309	FHEHJJYCBWHVQV-UHFFFAOYSA-N	415.465	3.855	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCCC2)cc1C	918304764	YKNAIRQREKEPGT-UHFFFAOYSA-N	408.546	3.648	10	20	HHCD	
Cc1oc(-c2cccs2)nc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919969477	ZOVGQRZEERHAJO-UHFFFAOYSA-N	411.527	3.850	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc4c(nc3O)CCC(C)(C)C4)CC2)cc1	1319624846	ZIYJWSVUFBXGGA-UHFFFAOYSA-N	409.530	3.663	10	20	HHCD	
Cc1cc([C@H](C)NCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)o1	1323796629	MDYHIMCHMQSGFI-ZACQAIPSSA-N	417.525	3.616	10	20	HHCD	
CN1CCN(c2ccc(CNC3(CNC(=O)OC(C)(C)C)CCCC3)cc2F)CC1	1338865553	NNPIJHBLZIEEJM-UHFFFAOYSA-N	420.573	3.505	10	20	HHCD	
CCn1ccnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	54549418	UDNHBUFXZPEYRZ-ZDUSSCGKSA-N	405.479	3.798	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	139991274	XCAIGWAMJYMMII-HBMCJLEFSA-N	416.610	3.642	10	20	HHCD	
COc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(OC)c1	48745148	REXVFLUOCLLDHH-UHFFFAOYSA-N	410.436	3.849	10	20	HHCD	
COc1ccc(F)cc1[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	140956867	PWXLYZSTKCFUSM-HOTGVXAUSA-N	401.482	3.792	10	20	HHCD	
Cc1ccc(SCCNC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	261368652	RMIOONDSHSMYEO-FQEVSTJZSA-N	414.571	3.590	10	20	HHCD	
Cc1c(CNC(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)n(C)c2ccccc12	467929417	HXEPNYAYWUHZMZ-UHFFFAOYSA-N	413.485	3.857	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccc(OC)cc2)CCC1	808745250	NSAPSEQTEJFKTK-UHFFFAOYSA-N	424.541	3.768	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)c1ccc(F)cc1F	805311886	FKGIMBDSGATLOL-INIZCTEOSA-N	417.500	3.688	10	20	HHCD	
CS(=O)(=O)CC[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1	807840097	YGWRQTXDWNDRMD-HNNXBMFYSA-N	416.326	3.534	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(I)c[nH]1	807836985	WXBNTBTVEAXHHP-UHFFFAOYSA-N	411.026	3.562	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc2nc(Cl)cnc2c1	805136086	ZXFQSSCQKOWACW-UHFFFAOYSA-N	418.689	3.774	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2)CC(F)F)cc1F	804852130	ZZGVKCVWQADQDD-UHFFFAOYSA-N	421.463	3.582	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2	801596805	PKNSRXNXYPNLGA-SFHVURJKSA-N	412.530	3.513	10	20	HHCD	
CC[C@@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)cc(Cl)c1O	806137575	PXOQCMRLXHRUHU-UZLBHIALSA-N	422.312	3.995	10	20	HHCD	
O=C(NC[C@@H]1CCCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1)C(F)(F)F	811786646	UCCNILSFPHSOHY-ZDUSSCGKSA-N	410.436	3.908	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c(s1)CCCC2(C)C	810396208	SVRLKQOIYAZFJK-UHFFFAOYSA-N	401.532	3.840	10	20	HHCD	
Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)c1	812394887	ZKFDUSAMHYCOHP-IBGZPJMESA-N	422.529	3.852	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCN1C(=O)Nc1ccccc1	813412801	CWBYOYWGDVBEEQ-NRFANRHFSA-N	424.570	3.553	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1	726104299	STIVJZCBXMBYFJ-GOSISDBHSA-N	404.555	3.589	10	20	HHCD	
COC(=O)N1CCC[C@H](NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	726548980	AWZAMIRZJPZWDW-SFHVURJKSA-N	403.910	3.637	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3nc(-c4ccccc4)oc3C)CC2)cc1	726561351	PMUDLGNULLMQQM-UHFFFAOYSA-N	405.498	3.986	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)c1	729064014	NNCRUQFDDCCIBD-JTQLQIEISA-N	414.405	3.829	10	20	HHCD	
COc1ccc2c(c1)CCCN(C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)C2	728596767	IFBRZQBBGCUDLJ-GOSISDBHSA-N	409.530	3.751	10	20	HHCD	
CCCNC(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc1	732921305	RUGOLIMLBLTUDY-UHFFFAOYSA-N	422.451	3.689	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)C)cc2)cc1F	731409498	UGQIJKAPFQCCNY-UHFFFAOYSA-N	401.482	3.714	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1F	731363806	ARHLCSJGFBDAKH-OAHLLOKOSA-N	412.509	3.751	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(C)cc2OCc2ccccc2)c1	734073615	SLKFWOHPPKSGAQ-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
Cc1ccc(-c2ccc(CNCc3ccc(N4CCS(=O)(=O)CC4)cc3)o2)cc1	733331091	ZVMPQYVLXARHCS-UHFFFAOYSA-N	410.539	3.780	10	20	HHCD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NCc1ccc(N2CCOCC2)cc1	732243459	WTVMAVBKKBBMNA-MRXNPFEDSA-N	421.463	3.972	10	20	HHCD	
COCc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	918212693	VTVUWDINPMHUMC-CALCHBBNSA-N	415.509	3.585	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	748447127	KPHUSHLXUCKSKP-UHFFFAOYSA-N	400.431	3.686	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(C(=O)CCc2ccccc2)CC1	743718435	AVHHLSCAXNYSTM-UHFFFAOYSA-N	420.553	3.759	10	20	HHCD	
C[C@@H](NC(=O)c1cccs1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	914456358	YBEUASOJIWZOHP-MRXNPFEDSA-N	411.527	3.754	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1	918196999	GZAGXPZVZNLBLW-XMMPIXPASA-N	424.589	3.714	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCCN1CCCCC1	914084170	WFVMDRYTCCIEBX-PEZBUJJGSA-N	424.613	3.759	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccccn3)no2)cc1	746019355	ZJGNFFGDSJZVRI-IBGZPJMESA-N	406.486	3.624	10	20	HHCD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1	740920083	RCQVMOHMCQNDBR-HXUWFJFHSA-N	414.550	3.652	10	20	HHCD	
Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)no1	918222686	WMSPEDYXHJNZTE-VWKPWSFCSA-N	416.497	3.782	10	20	HHCD	
O=C(/C=C\c1cccnc1)N1CCCN(C(=O)/C=C/c2cccnc2)c2ccccc21	741938286	WZNBGCTWXLMAJR-PJABCKPXSA-N	410.477	3.973	10	20	HHCD	
COc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1	916232254	JMPFNPSQNLTGAR-QFIPXVFZSA-N	404.422	3.896	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1F	917911692	LCOCOXOBORMOTE-UHFFFAOYSA-N	400.928	3.511	10	20	HHCD	
O=C(NCc1ccccc1O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1	748459383	GLIYTMUASRVPOS-KRWDZBQOSA-N	421.419	3.574	10	20	HHCD	
O=C(COc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	919968812	LDLLKQHNOUTDSI-UHFFFAOYSA-N	422.447	3.609	10	20	HHCD	
COc1ccc(OC)c(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	921193041	DFJKCSQEEFVGTK-JOCHJYFZSA-N	412.530	3.520	10	20	HHCD	
CCn1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1-c1ccccc1	756796931	KHNRYQGAEOIANW-UHFFFAOYSA-N	404.514	3.679	10	20	HHCD	
C[C@@H](NCCCCN1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1O	756533124	HSRQMXZDYZPVHI-OAHLLOKOSA-N	424.376	3.742	10	20	HHCD	
CC[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NCc1ccccc1	751931851	UHHQWEIFXIAXHR-IBGZPJMESA-N	409.511	3.568	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CSCCN1Cc1ccccc1	759199792	PSJNZVFOTKDJEV-QFIPXVFZSA-N	412.603	3.512	10	20	HHCD	
Cc1cc(C(=O)N2CCC(N(C)CCCO)CC2)c(C)n1-c1ccc(Cl)cc1	759723934	USIAEXRLXHUAMZ-UHFFFAOYSA-N	403.954	3.666	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1cc(F)cc(Cl)c1	755942988	XYFJCBWEEMETES-UHFFFAOYSA-N	400.928	3.511	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(F)cc1	921089322	WAZIENLAIKUTII-NPPFBWRTSA-N	413.537	3.947	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(Cl)cc1	920867545	UPEYGBKBZCCDRR-SJORKVTESA-N	401.938	3.532	10	20	HHCD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(CN[C@@H](C)c3cc(F)ccc3O)cc2)C1	756430833	LLUVQOOCAUXTCH-HOTGVXAUSA-N	406.523	3.803	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(-c2noc(C3CC3)n2)c1	755836982	KCMNMXPAZKYGCR-UHFFFAOYSA-N	419.485	3.772	10	20	HHCD	
COc1cc(CNc2ccc(S(=O)(=O)N(C)C)c(OC)c2)c(O)c(C(C)(C)C)c1	864009976	FGZYBNWLCFODBQ-UHFFFAOYSA-N	422.547	3.569	10	20	HHCD	
COc1c(Br)cc(Cl)cc1NC(=O)NCCc1ccc(O)c(O)c1	761638833	WOHKNKASMSNDBH-UHFFFAOYSA-N	415.671	3.887	10	20	HHCD	
COc1ccc2cc(C(=O)NCc3cccc(Br)c3O)c(C)nc2c1	765751610	HLLIHCBIPIFSAB-UHFFFAOYSA-N	401.260	3.950	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](CN3CCOCC3)c3ccccc3C)CC2)cc1	769134059	OAEQFRSOTNVTNV-VWLOTQADSA-N	409.574	3.636	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)cc1F	763572949	QZWFBWZIFBJOGU-UHFFFAOYSA-N	414.447	3.906	10	20	HHCD	
Cc1nnnn1-c1ccc(F)c(NC(=O)CSc2ncc(C(C)(C)C)s2)c1	760413159	BBGLURAUISMBHW-UHFFFAOYSA-N	406.512	3.595	10	20	HHCD	
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(c1ccccc1)c1ccccc1	769688504	JNUPEUJQLXXZSF-INIZCTEOSA-N	424.522	3.714	10	20	HHCD	
Oc1ccccc1CN(Cc1ccco1)c1ncc(I)cn1	766104235	SIXVIIZAFMESKX-UHFFFAOYSA-N	407.211	3.587	10	20	HHCD	
CCN(CC)c1ccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1F	765876575	AQTYRAFZGBBBQB-HNNXBMFYSA-N	408.539	3.935	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)C2CC2)cc1	764538467	QHEYAVFADKQEHA-HXUWFJFHSA-N	416.566	3.730	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1	761378693	WSIIZAPAFCGHFQ-UHFFFAOYSA-N	400.243	3.788	10	20	HHCD	
O=C1NC2(CCCCCC2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761636127	OLQBFLUKIAMJDF-MRXNPFEDSA-N	407.461	3.902	10	20	HHCD	
Cc1ccc(Cn2nc(C)c(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2Cl)cc1	773747692	DZHDFADTFOPDDL-AWEZNQCLSA-N	413.905	3.974	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)c1	774218946	LMCSWAFXPMLHNT-KPZWWZAWSA-N	423.307	3.739	10	20	HHCD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c(C)c1	774356689	KRHVQENNEABAFY-CQSZACIVSA-N	402.516	3.594	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)c1cccc(Br)c1)c1ccc(N(C)C)cc1	775829589	ZVRIREREIIFRPW-CQSZACIVSA-N	411.365	3.640	10	20	HHCD	
CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(Br)ccc1O	772797690	INRIRILZXNIEGD-UHFFFAOYSA-N	422.279	3.914	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1csc(-c2ccc(C)o2)n1	777826919	VEVURTPESHWIFS-UHFFFAOYSA-N	420.874	3.886	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3nnc(-c4ccc(Cl)cc4)n3C)CC2)cc1	1116631735	LHDVVGVKTRSGHX-UHFFFAOYSA-N	411.937	3.856	10	20	HHCD	
COc1cc(Br)cc(CN2CCSC[C@H]2c2nccs2)c1O	770674818	MXRCOHDIDMNEEG-LBPRGKRZSA-N	401.351	3.910	10	20	HHCD	
COCC1(C)CCN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	773727111	LTYJPKRHXTWULV-INIZCTEOSA-N	420.509	3.538	10	20	HHCD	
Cn1cnc2cc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc21	774806272	NOLBGOMHOGKQSB-UHFFFAOYSA-N	404.436	3.719	10	20	HHCD	
C[C@H]1[C@@H](C)N(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCS1(=O)=O	772698838	YZHONFAJHKDWPF-CVEARBPZSA-N	414.531	3.816	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(N(C)C)cc1	773631866	YYWDFOAHEXIVLG-QGZVFWFLSA-N	417.513	3.960	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC(F)F)cn1	773339316	UJEQOAATNJTODK-UHFFFAOYSA-N	401.207	3.813	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc4nc(C)ccc4c3)CC2)cc1	782518169	FHYVOHZZFZTNCM-UHFFFAOYSA-N	404.558	3.854	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccccc2SCc2ccccc2)c(O)c1	797389316	AJTXYHQJWMBDST-UHFFFAOYSA-N	422.506	3.948	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H](C(N)=O)c3ccccc3)cc2Cl)C1	799995187	ZIEOETSLDNGZEK-MGPUTAFESA-N	414.937	3.602	10	20	HHCD	
CCn1cc([C@H]2C[S@@](=O)CCN2Cc2c(O)ccc3oc4c(c23)CCCC4)cn1	792715577	SDGXHGNSSYSUJM-LBEKAKSKSA-N	413.543	3.539	10	20	HHCD	
COc1cc(N2CCN(C(=O)Cc3cccc(C)c3Cl)CC2)cc(OC)c1OC	792608715	SEEGDAFTBYVGEO-UHFFFAOYSA-N	418.921	3.566	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccnn3-c3ccccc3C)SC2=S)cn1	794859373	SRGYJTRIONUTJN-GZTJUZNOSA-N	408.508	3.990	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCCCC1CCOCC1)c2[N+](=O)[O-]	790629346	GORKOBGNDXRAPB-UHFFFAOYSA-N	423.421	3.734	10	20	HHCD	
CCc1cc(C)cc(CC)c1NC(=O)C(=O)NCc1cccc(Br)c1O	797353777	REWMKLNILNUNSN-UHFFFAOYSA-N	419.319	3.843	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	795353562	NSKOXSUNVXZILF-UHFFFAOYSA-N	404.271	3.849	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(F)ccc3C)n2)cc1	1318378074	BAJRLZTXROCWPF-UHFFFAOYSA-N	419.503	3.695	10	20	HHCD	
CC(=O)c1ccc(OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1	11326828	NEBDFJSZFFQCIY-UHFFFAOYSA-N	415.357	3.792	10	20	HHCD	
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1CCCN1CCOCC1	14190511	JXQDHDYEUYCAKX-PTNGSMBKSA-N	417.383	3.917	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1	102857655	SHGAJLFHMJUABG-QGOAFFKASA-N	422.535	3.903	10	20	HHCD	
O=[N+]([O-])c1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cs1	237829617	CVNQJQVXAJZKNI-UHFFFAOYSA-N	401.410	3.802	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCCCN3C[C@H](C)O[C@@H](C)C3)ccc21	434786823	IMKUVCFMJVOFHC-ROUUACIJSA-N	415.578	3.524	10	20	HHCD	
CC(C)c1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1-c1cccc(F)c1	437024199	YEUWVLVXENGJEY-UHFFFAOYSA-N	409.465	3.635	10	20	HHCD	
Cc1cccc(-n2cc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)nn2)c1	728837050	KUEFMNITBSMQGU-UHFFFAOYSA-N	417.435	3.846	10	20	HHCD	
CCCN(CC)C(=O)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	729168282	ZLNCMMPMZOSOHR-UHFFFAOYSA-N	409.530	3.530	10	20	HHCD	
Cc1nn(C)c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1C	730202088	IPVYVUBNANIWQJ-GXDHUFHOSA-N	420.585	3.719	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)cc1F	731346043	QCTNGTZDTFOJQS-LJQANCHMSA-N	421.463	3.834	10	20	HHCD	
Cc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1	732885355	AHCVOQQMUORKLG-REWPJTCUSA-N	420.557	3.647	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	734523858	PCQFTMRRASFPBJ-GOSISDBHSA-N	400.592	3.834	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C	734689644	NFWIBYDTUWQUKV-IBGZPJMESA-N	406.571	3.833	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1	734861459	MEIUFFUTLRWTNG-JNAXZKDPSA-N	401.457	3.718	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)c1	736993640	XNCJSMIZPXFTEF-UHFFFAOYSA-N	401.463	3.747	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Br	739694831	SCQQCNDPGSZUPH-UHFFFAOYSA-N	404.264	3.888	10	20	HHCD	
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCc1ccc(N2CC=CC2)cc1	741064600	RGZUYGBTBNWGHF-UHFFFAOYSA-N	404.514	3.929	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1Cc2cc(F)ccc2O1	742799375	KCBCXYLSQXGYRP-DNVCBOLYSA-N	406.404	3.516	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc2c1OCO2	745717672	ABMAFESREPHEKA-UHFFFAOYSA-N	407.264	3.615	10	20	HHCD	
Cc1nnc(-c2cccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)c2)o1	746161291	FHOMIUBCDPJNCX-UHFFFAOYSA-N	417.513	3.829	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1	747512740	CDSFGIZMHIOEMC-UXHICEINSA-N	400.906	3.711	10	20	HHCD	
Oc1ccccc1CN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCCO1	749299685	WZDVKDFPPDBYTA-WOJBJXKFSA-N	409.448	3.996	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c1	749599563	NGQKZUFYUBLCQB-UHFFFAOYSA-N	416.525	3.832	10	20	HHCD	
COc1ccc(C(=O)CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1	750875558	VIIDSIAVGNIOOK-HSZRJFAPSA-N	424.541	3.932	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	752237070	AKQHFJFBOQBJKY-MOSHPQCFSA-N	401.378	3.849	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)nc3O)CC2)cc1F	753744710	KZQZJDPAZTVFMU-UHFFFAOYSA-N	407.445	3.564	10	20	HHCD	
COc1ccc2c(c1)C=C(C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)CO2	755258587	APKZPJBKPHEOSB-QHCPKHFHSA-N	422.525	3.745	10	20	HHCD	
COc1cccc(-c2noc(SCC(=O)NCc3ccc(N(C)C)cc3C)n2)c1	755343762	GYPNSZKXFUEMOZ-UHFFFAOYSA-N	412.515	3.528	10	20	HHCD	
C[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Br)ccc1O	756801622	AWDDESOGBQNBPH-AWEZNQCLSA-N	419.319	3.729	10	20	HHCD	
CCN(CC(=O)Nc1nnc(-c2sccc2C)o1)c1ccc(OC)c(OC)c1	758005599	LFTAFFZOPVZFEQ-UHFFFAOYSA-N	402.476	3.589	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)c1ccc(Cl)s1	758508288	VUXSOVXHNCVHFD-NSHDSACASA-N	414.861	3.971	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccn(-c3ncccc3F)n2)cc1F	760082526	UTVSSCYWSVEXKU-UHFFFAOYSA-N	400.433	3.713	10	20	HHCD	
CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2cc(Cl)cc(OC)c2O)c1	761202397	VTQMCHKMCRFULI-CYBMUJFWSA-N	412.939	3.884	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cnn(-c2ccccc2F)c1	765301132	NDZUAMCZYGBZOU-UHFFFAOYSA-N	405.227	3.801	10	20	HHCD	
C[C@@H](NC[C@H](c1c(F)cccc1F)N(C)C)c1ccc(N2CCOCC2)c(F)c1	766004574	FQAHIPLDPXUJKL-QVKFZJNVSA-N	407.480	3.894	10	20	HHCD	
O=C(c1ccc(Cl)cc1)N1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769063492	SKPYTUHSVAORRX-UHFFFAOYSA-N	424.284	3.955	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c1C	769310905	CACLJZZRJGNUCN-ZEQRLZLVSA-N	409.574	3.900	10	20	HHCD	
C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@H]1CNC(=O)OC(C)(C)C	769424527	LCAOTYITDHLZIC-RXVVDRJESA-N	403.567	3.648	10	20	HHCD	
O=S(=O)(Cc1cc(Cl)ccc1F)NCc1ccc(N2CCSCC2)cc1	769893300	SATUXBADQBWVPE-UHFFFAOYSA-N	414.955	3.652	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2c(F)ccc(F)c2F)c1	772847269	XCDAJDBRPBSZMD-UHFFFAOYSA-N	413.399	3.848	10	20	HHCD	
Cc1c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnn1C1CCCC1	772941096	ZSDKJJWFFUAWCD-UHFFFAOYSA-N	423.561	3.894	10	20	HHCD	
C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(N(C)C)cc1	773021676	SMNKRCPYSLZJSW-JNMQVBFRSA-N	405.542	3.882	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(Cn3cnc4ccccc43)cc2)c1O	774992364	PXTAXJOSQMRCTC-UHFFFAOYSA-N	418.453	3.997	10	20	HHCD	
CS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(F)c2O)cc1C(F)(F)F	775201083	BTZINXXXIXVJDD-UHFFFAOYSA-N	411.804	3.897	10	20	HHCD	
Cc1oc2c(CN3CC[C@H](n4cncn4)C3)c(O)ccc2c(=O)c1-c1ccccc1	776776581	RWMBDACEGDCIFF-KRWDZBQOSA-N	402.454	3.513	10	20	HHCD	
COC(=O)N1CCC([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1	776862144	QVWLXNWEKKJHGM-HOTGVXAUSA-N	409.958	3.694	10	20	HHCD	
O=S(=O)([C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1)N1CCc2ccccc21	779608501	UKCBNHJILSFRBK-QGZVFWFLSA-N	424.925	3.542	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Oc4cccnc4)cc3)c2)CC1	781046011	WOXJQPUAASIFCI-UHFFFAOYSA-N	416.481	3.795	10	20	HHCD	
COc1cc(N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([N+](=O)[O-])cc1OC	784219676	HGSYNFGPTBRCTK-SOUVJXGZSA-N	421.494	3.742	10	20	HHCD	
NC(=O)[C@H]1CCCCC[C@H]1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785229433	WMQFQZKBQPALSQ-RBUKOAKNSA-N	407.474	3.591	10	20	HHCD	
Cc1ccccc1C(NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1C	785424027	KYFGUTYWHVSUDW-UHFFFAOYSA-N	415.537	3.891	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2)c2ccco2)cc1	785553225	YBPMIASGWQEZSV-JOCHJYFZSA-N	405.498	3.648	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)cc1	785984030	BWXHDXUJOBSHKP-QHCPKHFHSA-N	411.502	3.685	10	20	HHCD	
CCc1ccc(CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)cc1	788910863	FBKIAAUZVCJIJR-UHFFFAOYSA-N	405.542	3.657	10	20	HHCD	
Cc1c(Br)cccc1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	790231506	QMKQDEGQHVXYDT-UHFFFAOYSA-N	417.347	3.795	10	20	HHCD	
CCNC(=O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	793107162	YNHLMYCFJJZYIC-FQEVSTJZSA-N	421.501	3.948	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(OCc3ccccc3C)c2)c(O)c1	797389970	HUOKMCPIEQJGCE-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
COc1ccc(N(CCC(C)C)Cc2c(C)nn(CCS(C)(=O)=O)c2C)cc1	797991222	SGEJJCCBHRWYAM-UHFFFAOYSA-N	407.580	3.606	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C(N)=O)cc3)cc2Cl)C1	799992672	FTQLAIIKOJYNEI-HNNXBMFYSA-N	414.937	3.675	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(O)(C(F)F)CC3)cc2Cl)C1	800721247	YVSOBPUJMGFFHP-AWEZNQCLSA-N	415.912	3.878	10	20	HHCD	
Cc1ccc(C2=NO[C@H](CNC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)C2)cc1	800753669	HUVIIXNDSFPDHB-RTWAWAEBSA-N	423.513	3.584	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC=C(c4ccncc4)C3)cc2F)C[C@@H](C)O1	804969214	OBCYKBYHJZVLKK-QZTJIDSGSA-N	424.520	3.833	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCc1c[nH]c2ccccc12	805151797	YFHYOKFYILELDS-UHFFFAOYSA-N	420.557	3.720	10	20	HHCD	
CC[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1cc(Cl)cc(Cl)c1O	806135990	YQUGQXIQUWPUPB-QGZVFWFLSA-N	417.358	3.859	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccnc(-c2ccc(Cl)cc2)n1	806325933	VGQNKFZCZPHHSH-UHFFFAOYSA-N	422.916	3.906	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1	807806211	MNDQOUIMQZXMHR-JOCHJYFZSA-N	421.472	3.571	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(NC(=O)[C@@H]2CCCO2)c1	807836821	QMHBNTDVBWHLDC-INIZCTEOSA-N	409.269	3.747	10	20	HHCD	
COc1ccc(-c2nnc(SCC(=O)C(C)=O)n2C2CCCCC2)cc1OC	808012650	GLDMXZMTFINXJA-UHFFFAOYSA-N	403.504	3.718	10	20	HHCD	
Cc1nn(C)cc1S(=O)(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	808529754	RRATWOJLHWIZQM-UHFFFAOYSA-N	402.423	3.672	10	20	HHCD	
COCC[C@H]1COCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12	812299119	BSNWNOIYEVTCPW-SFHVURJKSA-N	409.482	3.711	10	20	HHCD	
Cc1cc(C)nc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1	914447872	OZUBAPCPIBORJV-UVTDQMKNSA-N	418.569	3.775	10	20	HHCD	
CC(C)N(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	914450672	BULUWRUIPGBCKW-MDWZMJQESA-N	413.362	3.517	10	20	HHCD	
Cc1cc(C)c(N2C[C@@H](C(=O)NCc3ccc(N4CCCC4)cc3)CC2=O)c(C)c1	915081368	VOWDRVQOGTXSES-NRFANRHFSA-N	405.542	3.881	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cn2cc(Br)ccc2n1	917019818	GSDLWPJSGMIKEU-UHFFFAOYSA-N	415.335	3.565	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1	917707985	ASXLLZSFEWEZEE-IAGOWNOFSA-N	412.505	3.623	10	20	HHCD	
CC(C)c1ccc(CCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	918001348	KKFJDDOUHKQRRP-JOCHJYFZSA-N	422.573	3.554	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1OC	918208770	RMXUDSIADBRZSV-QFIPXVFZSA-N	411.546	3.854	10	20	HHCD	
O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918294891	MBQSVSYYDLTHAX-KRWDZBQOSA-N	422.403	3.557	10	20	HHCD	
O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1	918744618	VZDPTDDSBOOLPY-UHFFFAOYSA-N	412.492	3.770	10	20	HHCD	
COC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1cc(C(C)(C)C)cc(O)c1O	919953685	ZDMPMPWIQBGIJA-UHFFFAOYSA-N	417.502	3.588	10	20	HHCD	
C[C@@H]1CN(Cc2cccc(CNC(=O)NCc3ccc(N4CCCC4)cc3)c2)CCO1	920238613	YUESGAYTDWIOQN-HXUWFJFHSA-N	422.573	3.507	10	20	HHCD	
C[C@@H](NC(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)c1ccc(N(C)C)cc1	1255139444	FRQIQNOAGFPKCB-ZHRRBRCNSA-N	406.530	3.971	10	20	HHCD	
CS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	1318806186	UBWIVWRCDUHQCL-CHWSQXEVSA-N	424.478	3.726	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1O	1320322494	XATOWYQFRXYAEG-UHFFFAOYSA-N	405.857	3.737	10	20	HHCD	
CCOc1ccc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)cc1	1324258259	UVRFSBXLSZFJOK-UHFFFAOYSA-N	420.478	3.677	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)/C=C/c2nccs2)NC(=O)OC(C)(C)C)cc1	1346279226	ZRBPIEXOHYOVIM-DVQDXYAYSA-N	416.547	3.605	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C/c2cccc(OCc3ccccc3F)c2)SC1=S	2844681	IPUZEDZRHUASRQ-SXGWCWSVSA-N	403.456	3.691	10	20	HHCD	
CCCn1c(/C(Cl)=C/c2cccnc2)nc2cc(S(=O)(=O)N(C)C)ccc21	7136432	MTEKPNISZQFOPG-WJDWOHSUSA-N	404.923	3.829	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	15360350	FWVKQERDWVNAQZ-UHFFFAOYSA-N	403.504	3.714	10	20	HHCD	
Cc1c(CNC(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)n(C)c2ccccc12	472278639	SJPVAZCAFGFXBL-DFBJGRDBSA-N	421.541	3.738	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(C)n1-c1ccccn1	726176851	GTDHHDOKASSEAA-LJQANCHMSA-N	421.476	3.664	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](c1ccccc1)N1CCC(O)CC1	727764971	XIDPSSSIJGQEQF-VWLOTQADSA-N	421.585	3.833	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1F	728140124	WVWCNMBQJMSWQF-UHFFFAOYSA-N	409.383	3.700	10	20	HHCD	
COCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	728462126	PWTAVJONIJDKOM-UHFFFAOYSA-N	423.513	3.533	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cnn1-c1ccccn1	728837416	SHRXEPUVJMXICP-UHFFFAOYSA-N	417.435	3.846	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](c3ccccc3F)C2)c1	730453754	ANPIKFCXZVOAQD-SFHVURJKSA-N	412.505	3.556	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCN(C)C(=O)OC(C)(C)C)cc2)CC1	731049541	AWFXGCVKOTYHCA-UHFFFAOYSA-N	404.555	3.589	10	20	HHCD	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N(C)C)cc2)c1Cl	731964188	WPFXZKADDJPUSQ-UHFFFAOYSA-N	415.342	3.783	10	20	HHCD	
Cc1noc(C)c1[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	733803975	UBIPHSLZWAIFOS-IHRRRGAJSA-N	404.486	3.605	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c1	734060962	NWKOTBDLOQVMLB-MRXNPFEDSA-N	406.866	3.934	10	20	HHCD	
CC(C)(C)Oc1ccccc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	734653842	MTTUAFKGZRJWMU-SFHVURJKSA-N	424.545	3.887	10	20	HHCD	
CC(C)Nc1ncccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	735852212	BEZDENSIOBMCAE-HOTGVXAUSA-N	400.498	3.585	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(C)n1-c1ccccn1	740834394	LEGVGLIWDVFXFZ-HNAYVOBHSA-N	412.534	3.864	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](O)c1cc(Cl)cc(Cl)c1	740919260	KMYHEHZUZBHTGH-IBGZPJMESA-N	406.313	3.902	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](c2ccccc2F)N2CCOCC2)cc1F	742252418	APWXDXCKRIBCRM-QFIPXVFZSA-N	417.500	3.501	10	20	HHCD	
CCc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742334266	IRROXTATMMZOLI-INIZCTEOSA-N	410.486	3.798	10	20	HHCD	
Cc1cc(CC(=O)NC(C)(C)CCS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	742846822	DBAZRIBTKLPIGT-UHFFFAOYSA-N	410.967	3.620	10	20	HHCD	
CCc1cnc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1	743219527	JCZQZMIBJPXDRB-UHFFFAOYSA-N	414.453	3.883	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)NC(=O)CS2	743807982	MNAZAFNVHOKTEH-UHFFFAOYSA-N	421.316	3.861	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)Cn3cc(Cl)c(O)nc3=O)c2C)c1	746140285	UKAWEUCEJPDAED-UHFFFAOYSA-N	403.891	3.615	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cnn(Cc2ccccn2)c1	746726826	XSFDJSPLTNOTAD-UHFFFAOYSA-N	404.518	3.981	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CO[C@H]2CCOC2)c(C)n1-c1ccc(Br)cc1	753788083	VAJIOXMGLPCVGR-UGSOOPFHSA-N	421.335	3.780	10	20	HHCD	
COc1ccc(-c2csc(NS(=O)(=O)c3cccc4nonc34)n2)cc1Cl	753917829	BMASPPGKJVKHQH-UHFFFAOYSA-N	422.875	3.809	10	20	HHCD	
CC[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@H]1CCCO1	756105615	SVANIVJPBYPHEO-HYRSGWHKSA-N	424.613	3.803	10	20	HHCD	
C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1cc(Br)ccc1O	756585010	IVCRZSIKZXPDRV-VIFPVBQESA-N	405.218	3.726	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccn(-c2ccc(Cl)cc2)n1	757008583	MTDWMATVVARXSK-UHFFFAOYSA-N	424.932	3.664	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)cc1F	757028354	YPWPOOQUDCAEHS-FQEVSTJZSA-N	412.509	3.969	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1F	757852779	QZVCUAWKCANESV-UHFFFAOYSA-N	413.371	3.886	10	20	HHCD	
COc1ccc(N(C)Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1F	757853221	XPUAUPGHGLGWKL-UHFFFAOYSA-N	406.504	3.998	10	20	HHCD	
COc1cc(N2CCN(C(=S)N[C@H](C)c3cccs3)CC2)cc(OC)c1OC	758917886	MZWJCVFIBCKOPT-CQSZACIVSA-N	421.588	3.532	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc4ccccc4s3)CC2)cc(OC)c1OC	759222186	IFDDVYXDCMFRER-UHFFFAOYSA-N	412.511	3.890	10	20	HHCD	
CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c1	760305601	UKQJIXGBLQFCON-UHFFFAOYSA-N	422.553	3.713	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OC[C@@H]1CCCOC1	760743808	KXJUDBUYCKDZMT-QQFZQELXSA-N	411.570	3.699	10	20	HHCD	
C[C@H](NC(=O)NCC1(c2ccc(F)cc2F)CC1)c1ccc(N2CCOCC2)cc1	761670258	QHFGVEYBGASNRU-INIZCTEOSA-N	415.484	3.893	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1	761789663	HMYOTKDBTKKXMN-BZSNNMDCSA-N	411.546	3.918	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C[S@@](=O)[C@@H](C)c3cccc(Cl)c3)CC2)cc1	764474739	NWOPBTWAJATQOS-DEXQXJORSA-N	420.962	3.507	10	20	HHCD	
COc1cccc(-c2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)n[nH]2)c1	764915386	NPQJEHWUFLQAJL-UHFFFAOYSA-N	408.527	3.569	10	20	HHCD	
O=C(c1cc(NCc2cccc(Br)c2O)ccc1[N+](=O)[O-])N1CCCC1	764933019	BGTQJAGFVAGHRM-UHFFFAOYSA-N	420.263	3.911	10	20	HHCD	
C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(-n2cncn2)cc1	765126077	HGWLZHBRMIUDBC-KURKYZTESA-N	409.509	3.871	10	20	HHCD	
Cc1c(S(=O)(=O)NCc2cccc(Br)c2O)oc2ccc(F)cc12	766198884	ACLCYBDNDYCQTR-UHFFFAOYSA-N	414.252	3.827	10	20	HHCD	
COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccco2)cc1	768415790	SRDZNJCIAJSGCP-UHFFFAOYSA-N	423.450	3.922	10	20	HHCD	
COC(=O)CN(Cc1ccc(OC[C@@H]2CCCO2)cc1)Cc1cc(Cl)ccc1O	768726851	DZQBRAGOCHETNK-FQEVSTJZSA-N	419.905	3.779	10	20	HHCD	
Brc1ccccc1[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	769151672	HHVLBZVDJOMANY-OAQYLSRUSA-N	417.347	3.859	10	20	HHCD	
COc1cc(OC)cc(OCCCN(C)Cc2ccc(N3CCOCC3)c(F)c2)c1	770306964	PWVAXZBJJSSCFJ-UHFFFAOYSA-N	418.509	3.580	10	20	HHCD	
Cc1ccncc1[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	771421077	KLUBWSWKENESKQ-ZACQAIPSSA-N	400.498	3.703	10	20	HHCD	
Cc1cc(Br)cc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1O	775648366	FVNWLWQVSXCMSU-UHFFFAOYSA-N	407.283	3.560	10	20	HHCD	
COc1ccc(O)c(CN2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c1	779612064	REYYKTVNNYIDHW-JOCHJYFZSA-N	407.514	3.836	10	20	HHCD	
O=C(Nc1ccnn1-c1ccccc1)C(=O)N(Cc1ccccc1O)C1CCCCC1	782896101	MLDBIVKCNUCQHI-UHFFFAOYSA-N	418.497	3.878	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1	784029030	WQCPUIHGQTZHBU-UHFFFAOYSA-N	420.513	3.880	10	20	HHCD	
Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784062962	YFMOVRGMOKWBMY-UHFFFAOYSA-N	419.485	3.932	10	20	HHCD	
Cc1nc(C)c(COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)s1	785408055	PCBKRMODQOWXGW-UHFFFAOYSA-N	424.525	3.685	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1cc(Br)nn1C	787200150	CAUCFDHJFPGRJI-UHFFFAOYSA-N	403.118	3.673	10	20	HHCD	
Cc1cc(-c2noc([C@H](C)NCc3ccc(N4CCN(C)CC4)cc3)n2)ccc1F	792182169	XQSVVBWRGBXSMN-KRWDZBQOSA-N	409.509	3.787	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@]2(CCOC2)O1	792864729	MHNNKXIQKHMTDD-MBSDFSHPSA-N	401.551	3.545	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)c(O)c1	797389615	QBAXXTHGMBGCOE-UHFFFAOYSA-N	402.516	3.606	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)sc2C)cc1	799636542	RXQONHMTPWHEPA-UHFFFAOYSA-N	415.540	3.930	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCC3([S@](C)=O)CCC3)cc2Cl)C1	799986857	HYUNFFFBVCSBBO-QZXCRCNTSA-N	411.999	3.677	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3ccc4c(c3)NC(=O)C4)cc2Cl)C1	800049345	IQEDMMHJTPHYNL-OAHLLOKOSA-N	411.933	3.930	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(COC(C)(C)C)c1	804245088	PDKGYIGXKYGGJP-UHFFFAOYSA-N	412.530	3.762	10	20	HHCD	
C[C@@H]1CSC[C@@H]1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	804503320	CFNHJYMVJYSAMO-HRQBQTGPSA-N	412.627	3.597	10	20	HHCD	
Cc1nccn1-c1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1	804949041	HQMBRVPLYDHOIO-UHFFFAOYSA-N	406.273	3.588	10	20	HHCD	
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135649	WEEDEMQEQVFZAT-UHFFFAOYSA-N	411.650	3.739	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccn(CC(F)(F)F)c1=O	806344766	OHTNBPCBBFGMIE-UHFFFAOYSA-N	410.179	3.745	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(-c2ncco2)cc1	807511255	JEHWQKVBNOFZRD-UHFFFAOYSA-N	406.225	3.609	10	20	HHCD	
COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F	808115080	NQFFLXCKMWLWDV-UHFFFAOYSA-N	410.648	3.757	10	20	HHCD	
COc1cccc(CNC2CCN(Cc3ccccc3Br)CC2)c1O	809740321	UGYPXKXLYQCLJR-UHFFFAOYSA-N	405.336	3.918	10	20	HHCD	
CC[C@@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1O	810241297	QYWQMXXLKBYOHT-YCXXCVGLSA-N	413.484	3.535	10	20	HHCD	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	815115415	ZHZUUKILWGSSKT-CYBMUJFWSA-N	423.391	3.941	10	20	HHCD	
CN(C)C(=O)OC1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	815863758	APRWCLYSJNVUKD-UHFFFAOYSA-N	423.473	3.730	10	20	HHCD	
Cc1cc(C(=O)NOC2CCN(C)CC2)c(C)n1-c1ccccc1Br	819692169	IVVGTXXQBUNPNY-UHFFFAOYSA-N	406.324	3.612	10	20	HHCD	
CCCCN(C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@@H]1CCS(=O)(=O)C1	832927177	QJYCPRBXPQQNQJ-LJQANCHMSA-N	418.559	3.532	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)/C=C\Sc3ccccc3)CC2)cc1	843443567	GTTUAPSJJYEPQB-UNOMPAQXSA-N	411.571	3.630	10	20	HHCD	
Cc1ccc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c(C)c1	914702803	AAMMWTNNZVZBAH-UHFFFAOYSA-N	403.451	3.910	10	20	HHCD	
CN(CC(F)(F)F)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	915175275	UFSIJYRFKSJHEB-FLIBITNWSA-N	408.492	3.750	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	917659306	UBTBHWTXFMSKNA-UHFFFAOYSA-N	404.532	3.529	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4ccccc4c(Cl)n3)cc2)C1	917834877	SHGXOVHTNZRXEO-KRWDZBQOSA-N	422.916	3.520	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c(C)c1	917846567	VEZRIBDQFIAVHP-UHFFFAOYSA-N	418.496	3.699	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1	917917140	CUORNEDAZIBJEU-IRXDYDNUSA-N	406.523	3.535	10	20	HHCD	
CCCNC(=O)c1cccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	918066291	SJNPYPAMFUOYMK-UHFFFAOYSA-N	408.546	3.767	10	20	HHCD	
Cc1cccc(OCCCCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	920027448	MQUGRNFLSBVHIQ-NRFANRHFSA-N	423.557	3.562	10	20	HHCD	
CC(C)C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1318396155	GKHJRHQSZPUDFN-LJQANCHMSA-N	422.589	3.607	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(N2CCCS2(=O)=O)c(F)c1	1320409533	VCTNUKKPFYFREK-RHSMWYFYSA-N	404.507	3.718	10	20	HHCD	
FC(F)(F)COc1cccc(CNC(=S)Nc2ccc3c(c2)OC(F)(F)O3)n1	1321023879	GYCZUXIKNXBGEL-UHFFFAOYSA-N	421.347	3.831	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c(C)n1-c1ccc(Cl)cc1	1324888497	LSJCASXCSKWDPN-QGZVFWFLSA-N	413.949	3.807	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)ccc21	116167099	KUCIYXKRLHJLDX-UHFFFAOYSA-N	406.530	3.629	10	20	HHCD	
CN(c1ccc(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cc1)C1CCCCC1	302132177	KPZOBIQCUOPBHP-UHFFFAOYSA-N	418.519	3.623	10	20	HHCD	
CCNC(=O)CN1CCCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1	303034368	RONIDTONJVPAEL-UHFFFAOYSA-N	424.589	3.502	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	110460797	PUQKMWKTKQQJML-UHFFFAOYSA-N	414.449	3.661	10	20	HHCD	
COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1	145698795	GOTNMFIEQAGBFO-INIZCTEOSA-N	407.470	3.678	10	20	HHCD	
Cc1cc(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)ccc1[N+](=O)[O-]	547198475	SIAQNIQLDUOXOO-UHFFFAOYSA-N	420.450	3.760	10	20	HHCD	
CN(CCc1nc(-c2ccccc2)no1)C(=O)NCCCSc1nccs1	806961721	VNORHEGWTBJYMR-UHFFFAOYSA-N	403.533	3.559	10	20	HHCD	
COc1cccc(C2(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)CC2)c1	802781745	GCNBIPZLFVOCHM-LJQANCHMSA-N	414.933	3.867	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C	807192006	MWGVLDRCPGSEBH-ZHRRBRCNSA-N	411.521	3.680	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1N1CCCCC1	809697200	DFPOOOMHXQLCEQ-HOTGVXAUSA-N	401.429	3.578	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C	802610376	WQUUJFDQTVJBQN-UHFFFAOYSA-N	420.513	3.924	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(Oc2ccccc2)nc1	804105432	RLUCSIKLOSFIHP-UHFFFAOYSA-N	419.481	3.635	10	20	HHCD	
COCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	802488616	SDHOCZOWSAQSJT-UHFFFAOYSA-N	420.561	3.922	10	20	HHCD	
CCSCC[C@H](C)N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805022841	GALPLZFEISSJCZ-SFHVURJKSA-N	405.608	3.529	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1OCC	811705109	OTQWPNFQERCPJG-UHFFFAOYSA-N	409.504	3.915	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)N2CCC[C@H](CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	727104199	ZLXYGOTUSXAYGR-SJORKVTESA-N	406.473	3.971	10	20	HHCD	
Cc1cc(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(C(C)C)cc1	727056775	DWYCZOBYHOTJLL-FQEVSTJZSA-N	402.560	3.519	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2C(=O)Nc3ccccc32)cc1	728837046	KRDXOGMGPOGCRV-QGZVFWFLSA-N	405.420	3.770	10	20	HHCD	
CCCN(CC)C(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	729178165	INIPANIEYJQQRV-LJQANCHMSA-N	423.557	3.886	10	20	HHCD	
Cc1nc2c(cc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)c(C)nn2C	728837408	SDJNUBVRUWXWGE-UHFFFAOYSA-N	419.451	3.856	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)CC(=O)Nc3ccccc3C)CC2)cc1	726709546	UDRBNKMINFAFTN-OAQYLSRUSA-N	424.589	3.523	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1O	729564277	YOMDCWDFCRPZES-UHFFFAOYSA-N	405.454	3.653	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	726237787	MMUDHXCXESFYDC-MIZPHKNDSA-N	422.573	3.719	10	20	HHCD	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	733039865	ULLSKYQYHVQZAB-GGAORHGYSA-N	422.573	3.927	10	20	HHCD	
CC(C)NC(=O)Nc1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	731859404	VACXJCVYCAPCKO-HXUWFJFHSA-N	411.502	3.744	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	733359558	CRNITFSOWOENGF-ZDUSSCGKSA-N	424.875	3.663	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C[C@H]3OCCc4ccccc43)cc2F)C[C@@H](C)O1	734320207	KBYMHOFRHAROKI-SAHWJRBASA-N	412.505	3.760	10	20	HHCD	
Cc1ccc(C(=O)NCCCSc2nccs2)cc1I	733974848	MWPRBDVRDFEOIO-UHFFFAOYSA-N	418.325	3.968	10	20	HHCD	
Cc1cc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C)n1-c1ccccn1	914847627	BTMACPADGVFSPK-UHFFFAOYSA-N	420.488	3.617	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1	734947713	YFJCPAXTBDLUOX-TXPKVOOTSA-N	402.441	3.917	10	20	HHCD	
O[C@H](COCc1ccco1)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	836232418	ACPSWYNTRYXVID-RTBURBONSA-N	414.527	3.992	10	20	HHCD	
COc1ccc(N2CCCN([C@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)CC2)cc1	917208717	OYFXOPKTZUAEMY-HXUWFJFHSA-N	422.573	3.835	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1	914456486	ZUBCBMHUNCBHNU-QFIPXVFZSA-N	419.481	3.664	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccnc1SC(F)F	919968456	PMRPKXKHOGDAGU-UHFFFAOYSA-N	407.486	3.535	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2O)n1	742390203	CKTCAWVDNDIXRK-SNVBAGLBSA-N	404.810	3.863	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(C(=O)/C=C\c2ccccc2)CC1	743719181	SLGOEIWMOBEAGB-RAXLEYEMSA-N	418.537	3.839	10	20	HHCD	
Cc1ccccc1-n1nc(C)c(CN(C)CC(=O)NCc2ccc(N(C)C)cc2)c1C	745983112	GHMWUCOVDUYPIJ-UHFFFAOYSA-N	419.573	3.612	10	20	HHCD	
Cc1cc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)n(C)n1	917328886	CSAONSNEJIRHCS-UHFFFAOYSA-N	400.866	3.585	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(-n2cccn2)cc1	743555350	WIJMOFZXNMUIIJ-GOSISDBHSA-N	421.570	3.986	10	20	HHCD	
COc1ccccc1C1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1	749421536	WUDNSCMWPZECEV-LJQANCHMSA-N	410.514	3.823	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1	918461389	WHULGDRHVLFUJK-UHFFFAOYSA-N	422.312	3.679	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C\c3cnn(C)c3)c2C)cc1	917239270	VZKGNDGXQACDNQ-WDZFZDKYSA-N	407.470	3.666	10	20	HHCD	
Cc1nsc(N2CCCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2)n1	742848713	AUFGPUWJCLSUTF-UHFFFAOYSA-N	401.561	3.668	10	20	HHCD	
CCCCNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	914037651	RIZBVYBWMRDOFH-LCYFTJDESA-N	413.362	3.567	10	20	HHCD	
NS(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)ccc1Cl	740942885	CBPFRUOSOXPYTN-UHFFFAOYSA-N	407.923	3.620	10	20	HHCD	
Cc1cnn(-c2ccc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cc2F)c1	757551657	OZVPIHMJORJPRE-UHFFFAOYSA-N	404.448	3.837	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)c(C)n1-c1ccc(Br)cc1	920302536	OPCRDVJXOPNARW-INIZCTEOSA-N	402.336	3.823	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3cc(Cl)cc4c3OCC4)CC2)cc1	754223281	UERYDWNJGRZCRV-UHFFFAOYSA-N	400.906	3.611	10	20	HHCD	
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754553527	WSNJTBIUPNUOLM-HXUWFJFHSA-N	418.493	3.828	10	20	HHCD	
O=C(Cc1cccc(F)c1F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	755200618	XADFMOPNJJLQSK-UHFFFAOYSA-N	414.374	3.679	10	20	HHCD	
C[C@H](NC[C@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(F)c1O	756457655	JHDZZXVYBSWEHV-WCQYABFASA-N	400.263	3.935	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl	765770631	YRVMIAJIIKMRBL-AWEZNQCLSA-N	405.882	3.944	10	20	HHCD	
CS(=O)(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1	863994882	MBNILXAJGSROQR-UHFFFAOYSA-N	410.451	3.841	10	20	HHCD	
COc1cc(Br)cc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O	768534101	ZWDYYCMGBPTYEQ-OAHLLOKOSA-N	412.246	3.689	10	20	HHCD	
COc1ccc(N2CCC(NCCNc3ccc(-c4ccccc4)nn3)CC2)cc1	765563532	AEMHQDWQKPDZCP-UHFFFAOYSA-N	403.530	3.823	10	20	HHCD	
Cc1ccc(-c2n[nH]c(SCC(=O)NCc3c(O)ccc4c3CCCC4)n2)cc1	768159324	OIRPRJBFQMJGPT-UHFFFAOYSA-N	408.527	3.773	10	20	HHCD	
COc1ccc(C(=O)N[C@H](C(=O)N(C)Cc2ccccc2O)c2ccccc2)cc1	769279837	BPAPSSHBNSNNTN-QFIPXVFZSA-N	404.466	3.531	10	20	HHCD	
O=C1CCCCN1[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769339439	YXFHIMONQBGHCO-LJQANCHMSA-N	400.523	3.562	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1	775563138	VKDPOBHVVGVUQM-MLGOLLRUSA-N	422.403	3.654	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)c1ccc(N(C)C)cc1	773860077	YLWILTXAEJAGKO-ZDUSSCGKSA-N	422.451	3.653	10	20	HHCD	
CC[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1cc(Br)ccc1O	775500070	NOVBNCVCJDPOEP-QGZVFWFLSA-N	412.349	3.940	10	20	HHCD	
C[C@@H](NC(=O)NCCNc1ccc(-c2ccccc2)nn1)c1ccc(N(C)C)cc1	776243477	CBXIMOZARYSGLG-QGZVFWFLSA-N	404.518	3.682	10	20	HHCD	
CCn1cc(C(=O)NCc2ccc3c(c2)CCCN3C)c(=O)c2cc(Cl)ccc21	777852506	CYHDEIZRVBWNRO-UHFFFAOYSA-N	409.917	3.987	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ccccc1)c1ccccn1	775079859	ABDHIXPEUINYBU-HSZRJFAPSA-N	417.509	3.822	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCSc1nccs1	772624429	QACIVIRUUDZJCB-ZIAGYGMSSA-N	414.597	3.713	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)s1	773619535	MCHBKCZUADPNAE-MRXNPFEDSA-N	414.575	3.788	10	20	HHCD	
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776250511	UTXBQCKCGDWKLV-WMZHIEFXSA-N	409.578	3.905	10	20	HHCD	
Cc1cc(Br)cc(CN2CCOC[C@H]2C[C@H](O)c2ccccc2)c1O	775741840	RMIVCYGXSFFRRS-MOPGFXCFSA-N	406.320	3.788	10	20	HHCD	
CCCC(CCC)c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	771068516	QSUCAWVRIOEWCW-UHFFFAOYSA-N	400.523	3.653	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCc3nccn3C2)cc1	786937990	IQMXSIODTQMSNL-IBGZPJMESA-N	404.514	3.754	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCC3)cc1)C1CCCCC1	789409570	WEFOHYNCEGTAGQ-UHFFFAOYSA-N	412.559	3.656	10	20	HHCD	
Cc1cc(CC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)c(C)n1-c1ccc(Cl)cc1	794311079	RDWKGAGIJXNKPB-OPAMFIHVSA-N	402.922	3.696	10	20	HHCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@]2(CCO[C@@H]2C)O1	790992171	OGAMKLXOWFGVCO-SEPYTNNBSA-N	422.485	3.835	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(OC)c(C)cc2C)cc1F	796808118	LXANWWWSDJPYNY-UHFFFAOYSA-N	401.482	3.552	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1O	793369133	HIKDNFUOCZXIMX-CYBMUJFWSA-N	420.771	3.804	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(C(=O)NCCN2CCCC2)cc1	1325357526	SWIHQGOOKAKTSG-WIYYLYMNSA-N	407.558	3.864	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)COc3ccccc3F)CC2)cc1	1251507075	JNNLKYSZCOMJPW-INIZCTEOSA-N	401.482	3.570	10	20	HHCD	
Cc1cc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1	303222604	VSJPDASEMMTLIO-HDICACEKSA-N	408.546	3.583	10	20	HHCD	
COc1ccc(N2CCC(Nc3cc(C)nc4nc(C(F)(F)F)nn34)CC2)cc1	301172451	KKYCRUTUPGYRCG-UHFFFAOYSA-N	406.412	3.541	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C	303161053	HRIWUIVMVWXJGE-HXUWFJFHSA-N	417.619	3.973	10	20	HHCD	
CCc1noc2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc12	303088271	CFESCEAEDWVDTP-LJQANCHMSA-N	408.502	3.673	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)c(Br)c1	327530443	ODIQPKUJDYHVBK-UHFFFAOYSA-N	407.283	3.697	10	20	HHCD	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NCc2cc(OC)c(OC)cc2O)c1	809682055	BHZFHWAAZQLZRA-UHFFFAOYSA-N	422.547	3.669	10	20	HHCD	
CSCc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	805840224	NJOUFKWWWFVLMQ-UHFFFAOYSA-N	417.550	3.649	10	20	HHCD	
C[C@H](NCCCNC(=O)/C=C\c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	800507188	VBMNAANJEACEFX-POGDKVGISA-N	411.521	3.533	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(c2cc(CC)ncn2)C1	802150691	ZTVHYSWPRLWJBK-HXUWFJFHSA-N	411.550	3.725	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1nccs1	803677923	VGMQSSYOOUWCOT-IBGZPJMESA-N	414.575	3.796	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1OCCCC(=O)O	808114065	PHRBTNSJSHXYJU-UHFFFAOYSA-N	417.842	3.538	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3ccc(Cl)s3)cc2)CC1	805023732	KSYXJVDDALBYPH-UHFFFAOYSA-N	419.978	3.913	10	20	HHCD	
O=[N+]([O-])c1cc(Br)cnc1N1CC=C(c2c[nH]c3ncccc23)CC1	474781370	SRUZVYIDFCKWAB-UHFFFAOYSA-N	400.236	3.922	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(OC(F)F)cc1F	807511916	FLBLLFPAJHGHMC-UHFFFAOYSA-N	423.174	3.694	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2conc2C2CC2)NC(=O)OC(C)(C)C)cc1	810448443	ZZAXZRQKVOKSIP-GOSISDBHSA-N	414.506	3.614	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)c1ccc(C(F)(F)F)nc1Cl	811157072	VEMFATFRXBPVEC-QHHAFSJGSA-N	401.724	3.604	10	20	HHCD	
COC[C@]1(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)OCCc2ccccc21	812476594	IHHNNUASKNTKDP-VWLOTQADSA-N	423.557	3.541	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(-c2ccccn2)cc1	810368865	JVYYFDAVEFQTAS-UHFFFAOYSA-N	401.466	3.588	10	20	HHCD	
COc1ccc2c(c1)CCCN(C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)C2	728596771	IFBRZQBBGCUDLJ-SFHVURJKSA-N	409.530	3.751	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1OC	812562103	KCJIUAJABOQUEO-UHFFFAOYSA-N	418.496	3.563	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726603121	CNFWQXNNFHZXHB-UHFFFAOYSA-N	410.486	3.852	10	20	HHCD	
COc1ccc(F)cc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1	728836165	SOAAQGPLLMSSJA-UHFFFAOYSA-N	407.445	3.579	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)cc1	728220763	JNIAZHBPSZCJOZ-FQEVSTJZSA-N	410.562	3.962	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3cccc(Cl)c3)cc2F)CC1	730193149	XIUBUXCMFKJMBY-UHFFFAOYSA-N	403.929	3.870	10	20	HHCD	
Cc1ccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1	916396518	XJEMLXKFAIXHMN-UHFFFAOYSA-N	406.419	3.670	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C(=O)N(C)C)cc1	743809486	XXOOJSQMRUDEIF-UHFFFAOYSA-N	405.292	3.519	10	20	HHCD	
O=C1N[C@H](c2cc(-c3ccccc3)ccc2O)Nc2ccc(N3CCOCC3)cc21	749703020	WTIWUUQXXHPOCV-HSZRJFAPSA-N	401.466	3.750	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cn2cc(C)ccc2n1	745704710	VWSJJKNQRUBYNU-UHFFFAOYSA-N	417.307	3.843	10	20	HHCD	
O=C(NC[C@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1	746767037	JDTUOWXIVBDRMF-HSZRJFAPSA-N	418.541	3.557	10	20	HHCD	
Cc1cc(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c(C)n1-c1cccc(F)c1	917569096	JMXQVSCZOSTUBB-UHFFFAOYSA-N	421.226	3.983	10	20	HHCD	
CN(CC[C@H]1CCCCN1C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905293	YUELHHYCJKVDST-QZTJIDSGSA-N	424.536	3.773	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Cl)c2cccnc12	743958349	RZSGHTUTFWGEHE-UHFFFAOYSA-N	409.873	3.728	10	20	HHCD	
CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(C)n(-c3cccc(C)c3)c1C)CC2	741732782	KKVQVPTUJRZULU-UHFFFAOYSA-N	423.538	3.514	10	20	HHCD	
Cc1cc(CC(=O)NC2CCN(c3cccnn3)CC2)c(C)n1-c1ccc(Cl)cc1	759673122	QDAHVILYQKSGNV-UHFFFAOYSA-N	423.948	3.865	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1	920237345	IPBMEZJBZDBYMQ-HXUWFJFHSA-N	424.589	3.705	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1	753642323	AAINIDQRZUSCTI-LBPRGKRZSA-N	422.403	3.604	10	20	HHCD	
Cc1cccc2c1CCN2C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751059930	BHLSSGXWMVPEKQ-UHFFFAOYSA-N	414.508	3.766	10	20	HHCD	
CCC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)N1CCc2sccc2C1	756535508	NIKZWHMPDYZKIE-GUYCJALGSA-N	403.504	3.766	10	20	HHCD	
Cc1ccnn1-c1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	753028792	JTNICANEEXHSDB-SFHVURJKSA-N	405.502	3.900	10	20	HHCD	
Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Br)n1	756022163	ZJPJBXQGNHCCOU-HNNXBMFYSA-N	405.292	3.680	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1	757654360	AQBVXACRFUWSKE-OYHNWAKOSA-N	406.523	3.867	10	20	HHCD	
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1NC(=O)OC(C)(C)C	756918369	OMBVXNKDJKOSFH-PKOBYXMFSA-N	404.555	3.587	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(I)cc1	754173651	IAFRNPMRNGSMCQ-UHFFFAOYSA-N	422.310	3.948	10	20	HHCD	
CCOC(=O)c1sc(CNC(=O)N(C)Cc2ccc(N(CC)CC)cc2)nc1C	750672196	PJZMDYQROWALKJ-UHFFFAOYSA-N	418.563	3.816	10	20	HHCD	
CCN(CC)C(=O)CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	751814499	ZGMCJRIOBNNXGE-UHFFFAOYSA-N	416.543	3.650	10	20	HHCD	
Cc1ccc(N(Cc2cccs2)C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	769803071	KMFDLWROVBTHEK-UHFFFAOYSA-N	416.524	3.981	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1O	761197772	CUWDFUIKCBTDSS-SFHVURJKSA-N	411.329	3.871	10	20	HHCD	
CC(C)(CNC(=O)NCc1cccc(Br)c1O)c1ccc2c(c1)OCO2	764768326	HXHONEWFKOEWPK-UHFFFAOYSA-N	421.291	3.660	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H](C)CNC(=O)OC(C)(C)C)cc2)CC1	768931488	KRFHCIOVTBMFDQ-QGZVFWFLSA-N	404.555	3.635	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)C2CC(=O)C2)c(C)n1-c1ccc(OC(F)F)cc1	765412019	WYQVDTVIFDHXOV-ZDUSSCGKSA-N	405.397	3.789	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCO[C@H](C2CC2)C1	765321024	KMCDWIWBWDPJPB-GJYPPUQNSA-N	409.477	3.514	10	20	HHCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)NCc2ccco2)cc1	765607339	ATNRGJGNFRNLCI-MRXNPFEDSA-N	412.511	3.544	10	20	HHCD	
Nc1nc(Cc2noc(-c3ccc(-n4cccc4)cc3)n2)nc(Nc2ccccc2)n1	761439801	UCSJSRBSUWAPQK-UHFFFAOYSA-N	410.441	3.629	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	773740627	RWKGHEOEALXXQE-SMDDNHRTSA-N	423.296	3.505	10	20	HHCD	
Cc1ccc2cccnc2c1S(=O)(=O)NCc1ccc(N2CCSCC2)cc1	777972598	YAYXPJNAVCIMDV-UHFFFAOYSA-N	413.568	3.575	10	20	HHCD	
Cc1nc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br	775779412	AIFOHIQSUWSYQN-CYBMUJFWSA-N	419.323	3.872	10	20	HHCD	
COC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)c1ccc(OC)c(O)c1	771566845	ISSYEMUAVCOIPA-JOCHJYFZSA-N	422.481	3.761	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccccc2CN2CC[C@@H](O)C2)c1O	779049495	IBODGIARKSLTMU-DNVCBOLYSA-N	419.363	3.881	10	20	HHCD	
COCCOc1c(Cl)cc(NC(=O)NCCc2ccc(O)c(O)c2)cc1Cl	774104567	ROSRWOZRRAARBK-UHFFFAOYSA-N	415.273	3.794	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCCC2(C1)OCCO2	784987886	CLRVPOQPKOEGRM-LJQANCHMSA-N	408.458	3.842	10	20	HHCD	
COCCc1ccccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	786199834	XOXHYYFNKXWILV-IRXDYDNUSA-N	415.509	3.950	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Cc3cccc(Cl)c3Cl)cc2)CC1	788774237	IERIWIWKPRLFOZ-UHFFFAOYSA-N	420.340	3.521	10	20	HHCD	
Cc1oc2c(CN3CCNC(=O)[C@H]3CC(C)C)c(O)ccc2c(=O)c1-c1ccccc1	783537118	FKCZUKOKHIRXBS-HXUWFJFHSA-N	420.509	3.821	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)sc1Cl	788741439	IILPNASODBOIPF-UHFFFAOYSA-N	415.345	3.536	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c2ncccc12	783316783	MRHBIRGIZWLVTD-UHFFFAOYSA-N	420.513	3.685	10	20	HHCD	
CC(C)(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1	788239817	APKWWLIACOHSQK-OAQYLSRUSA-N	411.521	3.946	10	20	HHCD	
CC(=O)c1cc(Br)ccc1OCC(=O)NCc1ccc(N(C)C)c(F)c1	795830067	RLNLBOILYIDZSE-UHFFFAOYSA-N	423.282	3.552	10	20	HHCD	
COc1ccc(CNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1	794380362	BABQAEYIYCPOLA-DOTOQJQBSA-N	406.523	3.690	10	20	HHCD	
COc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cccc1[N+](=O)[O-]	796592697	SCZIWLDYSOIXSI-UHFFFAOYSA-N	402.362	3.631	10	20	HHCD	
CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	797437684	OVGIXBAREZZWOB-NQIIRXRSSA-N	411.550	3.737	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(C)cc3Cl)CC2)cc1	6785740	UJCCPRVPNQNZFC-UHFFFAOYSA-N	416.953	3.991	10	20	HHCD	
CCC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	116581856	GIVZADNJLSRZEQ-QFIPXVFZSA-N	409.530	3.923	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(-c4ccc(F)cc4)n(C)c3=S)CC2)cc1	56552768	LVDAHTWELMAUDV-UHFFFAOYSA-N	413.522	3.545	10	20	HHCD	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)o1	807290497	XBNIZLDABNQDDW-DYESRHJHSA-N	407.514	3.580	10	20	HHCD	
COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1	800637384	XQOWBZGKSOXFDW-OAHLLOKOSA-N	415.921	3.840	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(F)F)cc2)cc1	808080172	CFHGOHCGNUPMDN-UHFFFAOYSA-N	404.460	3.577	10	20	HHCD	
CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(N2CCOCC2)c(F)c1	809735854	VWAOPCGDILZTMT-JOCHJYFZSA-N	412.553	3.544	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1nc(C)cs1	804887109	FWNQYMDGUIDRQE-QGZVFWFLSA-N	413.499	3.546	10	20	HHCD	
C[C@@H](NCc1cc2ccccc2n(C)c1=O)c1cc(Br)c(F)cc1O	813883288	SELBUFTVSCVQNS-LLVKDONJSA-N	405.267	3.997	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCN3CCc4ccccc4C3)ccc21	482463731	JGZJDKUSSKZWGI-UHFFFAOYSA-N	405.542	3.693	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)[C@@H](c2ccccc2)C(C)C)c(C)n1-c1ccccn1	816111108	PYRFGZWXCPEDDR-OAQYLSRUSA-N	411.527	3.946	10	20	HHCD	
O=C(NCCN1CCCC1)c1ccc(CNCc2ccc3ccccc3c2O)cc1	816563316	SXTWPPUBWPZUOQ-UHFFFAOYSA-N	403.526	3.661	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)Cc3ccn(-c4ccccc4)n3)CC2)cc1	726713762	QYUCOHDVHBWOCJ-UHFFFAOYSA-N	419.529	3.691	10	20	HHCD	
Cc1ccccc1C(C)(C)CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	725869516	HAJHKSDODUPNBO-UHFFFAOYSA-N	413.537	3.872	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1	728981524	CDUQFQPQOKTWCS-QZTJIDSGSA-N	410.514	3.747	10	20	HHCD	
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	729792544	MEFOCTKEJMBSFN-OAQYLSRUSA-N	402.454	3.760	10	20	HHCD	
CC[C@@H](NC(=S)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccs1	734371260	ACZLHDAZNOSPTF-QGZVFWFLSA-N	407.580	3.964	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2cc(O)cs2)sc2c1CCCC2	731911528	KWUYGFPIBNQAPE-SNVBAGLBSA-N	423.512	3.755	10	20	HHCD	
Cc1oc(-c2ccccc2F)nc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	737779560	HXZVKGCAWUONSD-UHFFFAOYSA-N	409.461	3.898	10	20	HHCD	
CCCC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C)on1	732918864	NJQJYIXSEBKDSP-YLJYHZDGSA-N	400.523	3.668	10	20	HHCD	
CC(C)[C@H](c1ccccc1)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	732983730	ARPLASRTRIZEMV-XMMPIXPASA-N	413.537	3.608	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H](c3ccccc3)N3CCC(O)CC3)cc2)CC1	731053476	RIYDDRMRCGXGGD-VWLOTQADSA-N	421.585	3.737	10	20	HHCD	
CCOC(=O)c1cc(C)sc1NC(=O)CN(CC)c1ccc(OC)c(OC)c1	736619827	HYERBPXBHHWYRA-UHFFFAOYSA-N	406.504	3.715	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccccc3-c3noc(C)n3)CC2)cc1	918038285	WMZWBBQOVWBHCU-UHFFFAOYSA-N	407.474	3.798	10	20	HHCD	
COc1ccccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1	917926574	YZHDMVXTQHVIAG-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
C[C@@H](CCc1cccc(F)c1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	745583747	NPVSRVVHDNVAOL-KRWDZBQOSA-N	400.494	3.662	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(C(N)=O)n(C)c2)c(C)n1-c1ccc(Br)cc1	749190891	PTXDFDMYAVFXJZ-UHFFFAOYSA-N	415.291	3.546	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cc1	747787098	LJJSFBIDCVXMGV-UHFFFAOYSA-N	416.590	3.998	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3SCCc4sccc43)cc2F)CC1	742645324	PREKEOBNXFBALL-HXUWFJFHSA-N	419.591	3.676	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c1	749566879	VRISGYPFPKYCAI-UHFFFAOYSA-N	421.463	3.933	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1	741068743	BJQSCNCCBITOPB-UHFFFAOYSA-N	416.547	3.542	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)c(C)n1-c1ccccn1	914903647	QZEKHSPZHHFWIG-FXAWDEMLSA-N	419.481	3.674	10	20	HHCD	
CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405430	DWDMJNQGJVFXMC-OAQYLSRUSA-N	400.494	3.569	10	20	HHCD	
O=C(CN1CCN(C[C@H]2CCOC2)CC1)Nc1ccc(N=Nc2ccccc2)cc1	749853125	ULKMBRSGXJQJBR-LJQANCHMSA-N	407.518	3.695	10	20	HHCD	
CCCCN1C(=O)c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2C1=O	914436935	DWOYFFNRFGLXKM-UHFFFAOYSA-N	419.525	3.954	10	20	HHCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405819	JMABUSLNLMADBU-MONBJTKQSA-N	420.569	3.880	10	20	HHCD	
C[C@@H]1C[C@H](NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c2c(O)ccc(F)c21	756549512	FVISHFFNJBYVFB-ZTNFWEORSA-N	411.521	3.567	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3nn(-c4ccccc4)cc3C)CC2)cc1F	753885440	MKCLZFBYZGSMEJ-UHFFFAOYSA-N	409.465	3.683	10	20	HHCD	
CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c1	757621316	BQLNJTCQUUEKLC-GJZGRUSLSA-N	420.531	3.570	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c(O[C@H]2CCOC2)c1	758902886	VJFPBTKOFNTNTO-IBGZPJMESA-N	410.514	3.747	10	20	HHCD	
CCN(CC)Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920872658	VZLVSXXRRPJALU-HXUWFJFHSA-N	424.589	3.925	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2csc([C@H]3CCCO3)n2)cc1	755788118	FRHZWKQBYBXXMW-AZUAARDMSA-N	415.559	3.882	10	20	HHCD	
COc1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)c(Br)c1OC	759590118	VKNAFMKDBROUDI-XBXARRHUSA-N	409.232	3.634	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1	752640487	DVXWLGYBFRVGPO-RTBURBONSA-N	418.534	3.593	10	20	HHCD	
C[C@@H](NC[C@@H](O)c1ccco1)c1cc(Br)cc(Br)c1O	756382809	UWDNLCGDFHUXHU-PRHODGIISA-N	405.086	3.894	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1cccc(C(F)(F)F)c1	753640082	IIXPHRVDHPTCGD-LBPRGKRZSA-N	419.403	3.972	10	20	HHCD	
COc1cc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(O)cc1C	768439039	FMJCNRCOTZUKKC-UHFFFAOYSA-N	408.420	3.686	10	20	HHCD	
COc1ccc(Cl)cc1C[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768448691	WIGXJMBBTATEOP-VLIAUNLRSA-N	403.906	3.935	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCOC4(CCCC4)C3)cc2F)C[C@@H](C)O1	768523438	URPWKKHZMXMMBA-SCTDSRPQSA-N	419.541	3.730	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1	765778500	HKBDLNZTNCBRBO-GOSISDBHSA-N	403.592	3.821	10	20	HHCD	
CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)ccn1	768295803	UKKSIXHLJQEALE-UHFFFAOYSA-N	411.502	3.621	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2nnc(CC(F)(F)F)s2)cc1F	766242625	JIHBJBBZLNKRKJ-UHFFFAOYSA-N	405.421	3.950	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCC(=O)NCc2ccccn2)c1	1116669302	NAVILRYRFGIBBX-UHFFFAOYSA-N	410.905	3.579	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2-c2c(F)cccc2F)cc1	778508358	PXQGEFXBVAZRJL-UHFFFAOYSA-N	409.436	3.953	10	20	HHCD	
COc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC1CCCC1	775030053	NOQIOWYUBCJVKS-UHFFFAOYSA-N	402.447	3.929	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl	772979958	JHNDECCCHPNQSQ-MRXNPFEDSA-N	419.928	3.786	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C	773757468	SWZJEXDVGSHKOM-YGHRGLEHSA-N	406.523	3.619	10	20	HHCD	
Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1C	782111653	QRDRGDXVMGMICJ-UHFFFAOYSA-N	405.472	3.800	10	20	HHCD	
CCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)C(=O)Nc1ccccc1C	786135669	XIXZFMVBAUZMDY-FQEVSTJZSA-N	424.589	3.759	10	20	HHCD	
COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784058126	LMLGUXXJKSJPNF-UHFFFAOYSA-N	424.545	3.643	10	20	HHCD	
C[C@@H](CN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1nccs1	784223695	RLHOFGLRWXBOQJ-ARFHVFGLSA-N	420.554	3.841	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc3c(s2)CCCCC3)cc1	789370728	SXZUVXJPOSIVFE-UHFFFAOYSA-N	414.575	3.855	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3cnn(C(C)(C)C)c3C)CC2)cc1	786897058	WELYMYDLYJKOTP-IBGZPJMESA-N	413.610	3.818	10	20	HHCD	
CC(C)(C)OC(=O)NCC1CCC(NCc2ccc(N3CCOCC3)cc2)CC1	796275808	PXLLSWBHXHSZON-UHFFFAOYSA-N	403.567	3.696	10	20	HHCD	
CC(C)n1ncnc1COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	791044809	PFCJSMPJGHLQPF-UHFFFAOYSA-N	409.829	3.645	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(CC(=O)N3CCOCC3)cc2)c(C(F)(F)F)c1	792850716	YTUPKBYVRBGDIU-UHFFFAOYSA-N	421.463	3.785	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)c(O)c1O	791164399	SKXHRNRCKQYGHK-HNNXBMFYSA-N	405.292	3.885	10	20	HHCD	
COc1cc(N2CCN([C@H](C)c3noc(-c4ccccc4)n3)CC2)cc(OC)c1OC	792877337	JMICAUNPVBTLQC-MRXNPFEDSA-N	424.501	3.646	10	20	HHCD	
CN1CCC(N2CCC(NCc3ccc4c(c3)CCN4Cc3ccccc3)CC2)CC1	796281828	ARBDZAKPKSTIEF-UHFFFAOYSA-N	418.629	3.898	10	20	HHCD	
CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1c(O)ccc(Cl)c1F	792164720	CLDFOSBBDVHWEE-UHFFFAOYSA-N	404.791	3.952	10	20	HHCD	
O=S(=O)(c1ccc(CNCc2c(O)ccc(Cl)c2F)cc1)N1CCCCC1	790947555	RCZXFVYRLPLVNB-UHFFFAOYSA-N	412.914	3.649	10	20	HHCD	
CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1	1806722125	XJDIDWVXUVTWJA-LADGPHEKSA-N	416.525	3.829	10	20	HHCD	
C/C=C(/C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2	1783082373	OEQWLNILEJLTDW-XNZZAWACSA-N	421.541	3.504	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cn(Cc3ccccc3)nn2)c(C)n1-c1ccccc1	23349751	BULLEAUJHKNHPV-UHFFFAOYSA-N	414.465	3.774	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(CCC2CCCC2)n[nH]1	31797504	WBYBRYAXKQJHOS-UHFFFAOYSA-N	401.580	3.744	10	20	HHCD	
Oc1nc(NCc2ccc(N3CCSCC3)cc2)nc2c1cnn2-c1ccccc1	301298195	SVSNRAMXRYRPSO-UHFFFAOYSA-N	418.526	3.686	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H]1c1c(F)cccc1F	303714073	ZPNRUJGXAUWRSC-RBUKOAKNSA-N	400.469	3.593	10	20	HHCD	
Cc1c(NC(=O)N2CCOc3cc(N(C)C)ccc32)cccc1C(=O)N1CCCC1	542954715	OLDZXXGTYUIYPI-UHFFFAOYSA-N	408.502	3.728	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](CN(C)C)Oc4ccccc43)ccc21	675491680	NNMRTJNNFFIHSO-HXUWFJFHSA-N	421.541	3.874	10	20	HHCD	
O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N(Cc1ccco1)Cc1ccccc1O	726098209	VHLQGJMELGOOIU-OAHLLOKOSA-N	411.424	3.581	10	20	HHCD	
COc1cccc2c1OCC[C@@H]2NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	726273715	INWSPTHPDYXDGS-MJGOQNOKSA-N	412.486	3.615	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1	726726580	UMGGBCUGTWHFHS-UHFFFAOYSA-N	422.312	3.726	10	20	HHCD	
C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1	727104578	OJIORLJCHKOCOS-AWEZNQCLSA-N	409.313	3.914	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)OCC3=Nc4ccccc4S(=O)(=O)N3)c2C)c1	727180140	GMOJSLRQOVNEPK-UHFFFAOYSA-N	423.494	3.581	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CNC(=O)CCC(C)C)c(C)n1-c1cccc(F)c1	727768875	YAKHTWNOXQORAT-UHFFFAOYSA-N	402.466	3.512	10	20	HHCD	
COc1cccc([C@H](CNC(=O)NCc2ccc(N(C)C)cc2C)N2CCCC2)c1	734654260	RYTRVLXHGOTNIN-QHCPKHFHSA-N	410.562	3.706	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C	742334725	RYMSGWBSBVOFQR-MRXNPFEDSA-N	410.486	3.852	10	20	HHCD	
O=C(Nc1cccc2c1OCCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743117561	MKSQLTRMCHOTGA-CQSZACIVSA-N	419.428	3.850	10	20	HHCD	
C[C@@H]1CN(Cc2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cc2)C[C@@H](C)O1	743715661	AELOUCOMYPALIV-QZTJIDSGSA-N	408.542	3.810	10	20	HHCD	
CN(CC[C@@H]1CCCCN1C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	745799043	FFJWVILQSWLTPG-SFHVURJKSA-N	424.536	3.773	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O	745881695	KYSLZSYDULYZJW-GCJKJVERSA-N	408.546	3.867	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1	746158835	JGSJXJJVGVKTTB-UHFFFAOYSA-N	410.923	3.607	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3cc(Cl)ccc3Cl)cc2)C1	748184323	DHDDLULASVWCRT-HNNXBMFYSA-N	420.340	3.554	10	20	HHCD	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	748627435	XQWVBAKUKOYATI-AUSIDOKSSA-N	411.546	3.658	10	20	HHCD	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1	748860114	UWRDQYQLZIARJV-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2o1	751370918	FLJFWVLHSDRAND-KRWDZBQOSA-N	420.918	3.735	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCC[C@H](Cn2ccnn2)C1	752798814	IPLVAFZGVSMCNA-AWEZNQCLSA-N	401.308	3.812	10	20	HHCD	
CC[C@@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)Oc1cccc(F)c1	753341378	ARTIMEQILUZJKG-FQEVSTJZSA-N	415.509	3.960	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3ccccc3-c3nccs3)CC2)cc1	753567185	ANIDVUBEXBBUHN-UHFFFAOYSA-N	409.511	3.546	10	20	HHCD	
COCCN(Cc1ccn(-c2ccc(F)cc2F)n1)c1ccc(OC)c(OC)c1	753746647	FUEWGNASWWNQHT-UHFFFAOYSA-N	403.429	3.821	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3CCOc4c(Cl)cccc43)CC2)cc1F	753918321	BFVDEZNQCGEHPM-SFHVURJKSA-N	419.884	3.843	10	20	HHCD	
C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(C)(C)CN(C)C	754356941	OHGVXDLLQNDVDA-HNNXBMFYSA-N	412.525	3.532	10	20	HHCD	
CCc1cnc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)s1	756080975	AEXQZNZSFLOMJT-UHFFFAOYSA-N	412.515	3.532	10	20	HHCD	
C[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1O	756554873	JUSZXPOHZNDPNO-NSHDSACASA-N	404.315	3.832	10	20	HHCD	
C[C@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)c(F)cc1O	756784109	LSUJECHELZWLOT-DZGCQCFKSA-N	421.310	3.993	10	20	HHCD	
C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc(Br)cc(F)c1O	756802153	ALSRAGKYANGTIZ-LLVKDONJSA-N	411.271	3.934	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](CCO)c2ccccc2Br)c1	757639466	PCBTURPZWGZBNF-SJKOYZFVSA-N	408.292	3.716	10	20	HHCD	
CCCC[C@H](CC)CNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759217874	YWGCXZZMWGAKCE-KRWDZBQOSA-N	407.555	3.760	10	20	HHCD	
COc1cc(N2CCN(C(=O)CCc3ccc(C)cc3C)CC2)cc(OC)c1OC	759221177	PCKPXNDCUOWYHR-UHFFFAOYSA-N	412.530	3.611	10	20	HHCD	
COc1cc(Cl)cc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O	761205616	HEPKBULSCGOIDU-HNNXBMFYSA-N	414.811	3.968	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(C)c4ncccc4c3)CC2)cc(OC)c1OC	761219473	QQPXFOORLIWULG-UHFFFAOYSA-N	407.514	3.891	10	20	HHCD	
C[C@](O)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1Cl	765231268	WUDSXWIWEXYFDH-NRFANRHFSA-N	419.978	3.600	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1	765329774	WSWOUODVTLYOGF-NFBKMPQASA-N	409.530	3.884	10	20	HHCD	
O=C(CCc1cncc2ccccc12)NCc1ccc(N2CCC(CO)CC2)cc1	765531205	QVYRDZVTUHQDBA-UHFFFAOYSA-N	403.526	3.693	10	20	HHCD	
C[C@@H](O)C[C@H](CNC(=O)NCc1cccc(Br)c1O)c1ccccc1	765536873	SZBITYHZVMGMGU-CZUORRHYSA-N	407.308	3.509	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H]1CCCN1Cc1ccc(F)cc1	765747543	PHVGLVGSYDCSAZ-QGZVFWFLSA-N	407.283	3.575	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2nnn(Cc3ccc(F)cc3)c2C)cc1F	767901232	WYOBGDDGJHLIFW-UHFFFAOYSA-N	413.472	3.689	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC(CCN3CCOCC3)CC2)ccc1N1CCCCC1	769204904	BEEUSKGVHDMBHN-UHFFFAOYSA-N	416.566	3.519	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1ccc(OC)c(OC)c1Cl	769379829	ODJYDLXSXZLYEW-UHFFFAOYSA-N	414.285	3.891	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H]1C1CCC1	769758280	BPKZRQURHLUSQF-INIZCTEOSA-N	406.529	3.659	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(NC(C)=O)ccc3Cl)c2)CC1	770146072	FBSIKHVYVVEPFN-UHFFFAOYSA-N	400.910	3.693	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnc(Br)c1	771054572	AAVGYYWVDJTWCL-OAHLLOKOSA-N	424.726	3.598	10	20	HHCD	
CCN(C(=O)NCCCSc1nccs1)[C@@H]1CCN(Cc2ccccc2)C1	771772404	OFUCQVNGOCARKS-GOSISDBHSA-N	404.605	3.931	10	20	HHCD	
COCCOc1cccc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1	772165178	AGMXATBTDXJRLN-UHFFFAOYSA-N	402.454	3.603	10	20	HHCD	
O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N(Cc1ccco1)Cc1ccccc1O	772545921	GCTZEMLOLNGIBY-SFHVURJKSA-N	411.502	3.631	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)c1ccc(N(C)C)cc1	773848158	UTWBOMKGYCSCAE-LLVKDONJSA-N	411.836	3.823	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1	775485177	PHLIRQLSARGUSG-QGZVFWFLSA-N	409.349	3.523	10	20	HHCD	
COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c(OC)c1	775834647	BSJKJCNMEQAAFB-JTSKRJEESA-N	411.546	3.784	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccccc2CN2CCN(C(C)=O)CC2)cc1F	780546699	BYUHXHPANLKJHM-UHFFFAOYSA-N	412.553	3.948	10	20	HHCD	
COCCN(Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc(OC)c(OC)c1	782949463	VOQWOQNJXKYQKG-UHFFFAOYSA-N	420.872	3.730	10	20	HHCD	
Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)NCc1ccc2c(c1)CCCN2C	784474986	CSQZXHSTPWFUCE-UHFFFAOYSA-N	406.530	3.839	10	20	HHCD	
COCCc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	786304415	WZPCRJNUKUUVPJ-UHFFFAOYSA-N	423.557	3.899	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2O)c1	788587269	HOISSEXNKVVPTC-RYUDHWBXSA-N	402.438	3.731	10	20	HHCD	
CC(C)CCN(C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCC1	789864985	SWYWJCOKORXCOU-UHFFFAOYSA-N	417.619	3.673	10	20	HHCD	
Cc1cccc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	792066250	ITNDVURYQQBNRR-UHFFFAOYSA-N	404.461	3.502	10	20	HHCD	
Cc1cc([C@@H](C)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n(C)n1	793547765	NBJPVKYMRQJROE-APWZRJJASA-N	401.555	3.711	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccnn2-c2ccc(F)cc2)SC1=S	794861303	GKYYCGJHZFYINC-GZTJUZNOSA-N	418.563	3.800	10	20	HHCD	
COc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)c(Br)c1	796266935	URBUFEYOKHICHL-UHFFFAOYSA-N	409.299	3.723	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3c(F)cccc3SC)cc2F)CC1	798431515	OQZZMIPAMBHCSB-UHFFFAOYSA-N	405.514	3.759	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)n2)cc1	799636467	POCIGLIJNOORDM-UHFFFAOYSA-N	401.513	3.621	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)cc2F)cc1	802551901	HTHOASQLPUWSFJ-UHFFFAOYSA-N	409.408	3.528	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCC3(Cc4ccccc4)CC3)cc2)CC1	805023747	KYSXRIPDIDWQGF-UHFFFAOYSA-N	419.569	3.678	10	20	HHCD	
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	806493698	BEBPHDLJEDQSPD-HOJAQTOUSA-N	414.594	3.745	10	20	HHCD	
O=C(c1c[nH]c2c(F)cc(F)cc2c1=O)N(Cc1ccco1)Cc1ccccc1O	806878146	MUBQEGIEUPYTBW-UHFFFAOYSA-N	410.376	3.948	10	20	HHCD	
O=C(NCc1ccnc(OC(F)F)c1)N(Cc1ccco1)Cc1ccccc1O	807258550	PSLMVBVJNZVLSC-UHFFFAOYSA-N	403.385	3.894	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CCC(CCc2ccc(O)cc2)CC1)c1ccc(N(C)C)cc1	807670669	IFBHZUYAEDHPST-GOSISDBHSA-N	423.557	3.507	10	20	HHCD	
Cc1cc(Br)c(O)c(CNCCCn2cc(Br)cn2)c1	808436616	MERBQHFFCDBVLA-UHFFFAOYSA-N	403.118	3.602	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H]3CCN(c4ccccc4Cl)C3)CC2)cc1F	810489376	KERTVZBKLBBOKU-INIZCTEOSA-N	417.912	3.663	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)ccc1C(F)(F)F	811682622	BIFIPSRLDKVTEM-UHFFFAOYSA-N	400.422	3.651	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCOC1	812396449	SSUPJGVLUCXQSU-KRWDZBQOSA-N	415.497	3.872	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1	812442800	IULBGWUWBDRRCP-LJQANCHMSA-N	423.473	3.764	10	20	HHCD	
CC(C)(NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1[N+](=O)[O-]	813584753	VQVHWXHEFRKUCQ-UHFFFAOYSA-N	414.531	3.883	10	20	HHCD	
CC(=O)c1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	916458804	VSHXHMUQSCVMJO-UHFFFAOYSA-N	420.431	3.604	10	20	HHCD	
COC[C@H](C)n1c(C)cc(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1C	916644929	DAYLBCLDEMXHKS-RXVVDRJESA-N	414.546	3.882	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3cc4ccccc4nc3O)cc2F)C[C@@H](C)O1	918141402	WIGTYWVAURJBMV-IYBDPMFKSA-N	423.488	3.552	10	20	HHCD	
COc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	918223623	GSXVPPHPSQWTCF-INIZCTEOSA-N	401.482	3.574	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCNc3ncnc4sccc34)c2C)cc1	918626673	SMKVGWYZETWKNQ-UHFFFAOYSA-N	421.526	3.949	10	20	HHCD	
CC(C)CCOC1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	920870426	FKABGAVJMLMREY-LJQANCHMSA-N	403.567	3.821	10	20	HHCD	
CCC(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)N1CCCC1	920920548	IGVYXEGXXJSDJT-WMZHIEFXSA-N	416.610	3.784	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3noc(-c4ccc(F)cc4F)n3)CC2)cc1	1321576998	FNJJIAHXYZFTLH-UHFFFAOYSA-N	400.429	3.736	10	20	HHCD	
O=C1CCc2cc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)ccc2N1	1340986894	IINPUOXQCGTOPH-UHFFFAOYSA-N	414.527	3.801	10	20	HHCD	
O=C(CSC(=S)N1CCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O	5289325	IUYGDAZRWVMRNL-UHFFFAOYSA-N	410.520	3.514	10	20	HHCD	
CN(c1ccc(CNC(=O)CNC(=O)NC2CCCCC2)cc1)C1CCCCC1	116030210	VALFICKTCDTDLO-UHFFFAOYSA-N	400.567	3.704	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	140956662	QJYHLJHKSQRYBO-LJQANCHMSA-N	410.562	3.930	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCn1c(C)csc1=O	302684285	GGNQYVXIZAJXCU-UHFFFAOYSA-N	403.529	3.665	10	20	HHCD	
O=C(Cc1occc1C(=O)N1CCc2c(F)cccc21)N1CCc2c(F)cccc21	461282038	CWCNWYVZQSPEPV-UHFFFAOYSA-N	408.404	3.893	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)n(C)c2ccccc12	582926202	VJJHGVUSRDTILG-NRFANRHFSA-N	418.541	3.533	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCOc3ccc(F)cc3)CC2)cc1	726614048	PQYIGHRZJWHARB-UHFFFAOYSA-N	401.482	3.571	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCOc2ccccc21	728189589	OVMSKVJCCFDGNP-LJQANCHMSA-N	402.441	3.939	10	20	HHCD	
CCOC(=O)N(C)C1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1	728523004	RTHURLROUCUQBM-UHFFFAOYSA-N	415.534	3.597	10	20	HHCD	
O=C(CN1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1)NC1CCCCC1	728564526	SCMQFBIEPLCRJT-UHFFFAOYSA-N	421.541	3.858	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC3(c4ccc(F)cc4)CC3)cc2F)CC1	730126326	NOODCUOLWLCKJD-UHFFFAOYSA-N	414.500	3.595	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1	732115417	ZSLBPDYXHNBRKL-UHFFFAOYSA-N	409.446	3.548	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1I	734638777	QVXRFSBLWOWULS-UHFFFAOYSA-N	409.271	3.987	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1	740813179	WMMHRFUJFOTCFN-UHFFFAOYSA-N	419.528	3.577	10	20	HHCD	
CN(c1ccc(CNC(=O)c2nn(C)c(=O)c3ccccc23)cc1)C1CCCCC1	742417062	RWNUIPFBJAAIAB-UHFFFAOYSA-N	404.514	3.632	10	20	HHCD	
Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(N4CCCCC4)cc3)ccc12	742483616	SGJSZURMCARDIE-UHFFFAOYSA-N	406.482	3.787	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CC[C@@H]2CCCCO2)NC(=O)OC(C)(C)C)cc1	742752130	YVHQAACFAFLXPT-PMACEKPBSA-N	419.566	3.784	10	20	HHCD	
COc1ccccc1OCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742807274	ZCCDUYWLNMUOEN-INIZCTEOSA-N	420.456	3.851	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1	743410248	JHLKCKMHIFVYCB-QRWLVFNGSA-N	414.502	3.919	10	20	HHCD	
Cc1c(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)nnn1C	745163167	KQXNFKOZSYHGDE-UHFFFAOYSA-N	420.391	3.590	10	20	HHCD	
O=C(N[C@@H]1COc2ccccc2C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745614884	HSEFFJZTAXIPHZ-SJORKVTESA-N	417.456	3.560	10	20	HHCD	
CCCCN1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745793377	WBRLJOLDMALDTH-GOSISDBHSA-N	424.536	3.821	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)nc3)cc2F)C[C@@H](C)O1	746514816	ZCIKBIDKUQWIPQ-BETUJISGSA-N	422.298	3.527	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1	748146702	LPLJPVRQNAAOFP-YBEGLDIGSA-N	401.469	3.772	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(N3CCSCC3)cc2)cc1	756432374	RHCNIJOYMXJZMZ-GOSISDBHSA-N	404.601	3.500	10	20	HHCD	
C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1cc(Br)ccc1O	756570878	BYCUOSNFMGIOAP-ZDUSSCGKSA-N	407.308	3.958	10	20	HHCD	
Cc1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1Br	757041383	HRAFJGQSERVXMY-UHFFFAOYSA-N	421.310	3.788	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3CCO)c(C)n1-c1cccc(Cl)c1	759703420	URTDCCJZVBGKBR-HXUWFJFHSA-N	412.921	3.744	10	20	HHCD	
COc1ccsc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	760304938	NKYVIUHZKNMPPP-UHFFFAOYSA-N	421.525	3.566	10	20	HHCD	
COc1ccc2c(c1)OC[C@H]2CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	760309969	NVFKNTFEPGLGDZ-DENIHFKCSA-N	424.541	3.835	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](CCSC)c3nnc4ccccn34)CC2)cc1	764723859	VEGDIOGGZBDGSZ-FQEVSTJZSA-N	411.575	3.791	10	20	HHCD	
C[C@H](NCc1cn2cc(Br)ccc2n1)c1ccc(N2CCOCC2)cc1	765258404	LIBZJWNOOXEYBE-HNNXBMFYSA-N	415.335	3.784	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCCCC2)cc1	765332554	RADHUQPLPAWTEC-XMSQKQJNSA-N	423.557	3.652	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(C)ccc3Cl)n2)c[nH]1	765535055	NPENZGRXSZXKDA-UHFFFAOYSA-N	411.892	3.687	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc2cnccc12	768011739	FEMASLIKFUWWBZ-UHFFFAOYSA-N	422.554	3.568	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1	769121793	UFFBCXUATQSTEO-DNQXCXABSA-N	413.525	3.987	10	20	HHCD	
COc1ccccc1CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771053971	RVWFEGNHNAYHJT-IBGZPJMESA-N	402.922	3.768	10	20	HHCD	
Cc1cc(C)n([C@@H](C)CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	771054750	WDNRAYUHBCWCON-LPHOPBHVSA-N	404.942	3.591	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)c(C)n1-c1cccc(Cl)c1	773307587	MNFHBEHAPXWFJN-AWEZNQCLSA-N	400.866	3.856	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(Br)ccc2Br)c1O	773409517	ZLUXGRSANNXSEK-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](c3ccccc3)C3CC3)cc2)CC1	774379591	LXCFAVRLUAXMCJ-HSZRJFAPSA-N	405.542	3.807	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(COc2ccc(Cl)cc2Cl)on1	778926789	XIJDLZCRUNNQIM-UHFFFAOYSA-N	409.225	3.902	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)CN(C)[C@@H](C)c3cc4ccccc4o3)CC2)cc1	779213836	LUJMEBJKLZQEDV-SIKLNZKXSA-N	423.557	3.617	10	20	HHCD	
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	779387444	GSNNXTVFWSUVRB-MRXNPFEDSA-N	404.555	3.730	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1	779480166	RMNIWSPMDNQPDU-ALCCZGGFSA-N	421.415	3.994	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(F)c2F)cc1	782423854	NDQAOMKVDVSHAF-UHFFFAOYSA-N	413.424	3.791	10	20	HHCD	
O=C(NCc1ccc(N2CCOC2=O)cc1)N(Cc1ccco1)Cc1ccccc1O	783313046	OMGIUZBNHFRNHQ-UHFFFAOYSA-N	421.453	3.854	10	20	HHCD	
CO[C@H]1Cc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc2C1	784057978	ITHWKAVAMZOBRI-QFIPXVFZSA-N	407.514	3.687	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccc(C(F)(F)F)cc2)C2CC2)cc1	785620699	BXTUTRWOESPSDT-UHFFFAOYSA-N	419.447	3.579	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1	788975501	POCWGMQIHRRVPV-QFIPXVFZSA-N	409.530	3.521	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccnn2-c2nc(C)cc(C)n2)cc1	789307550	ZTNAXKKPTCSJGI-UHFFFAOYSA-N	407.522	3.789	10	20	HHCD	
COCc1c(Br)cccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	789834344	GENKNKQQQUIGNR-NSHDSACASA-N	409.280	3.759	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c(C(F)(F)F)c1	792867955	QDSNOLBNGOYZOV-IBGZPJMESA-N	421.463	3.980	10	20	HHCD	
COc1ccc(CNC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c(O)c1	792991118	FGDLYQAWNNZRRA-UHFFFAOYSA-N	415.490	3.790	10	20	HHCD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	795997895	LLQXYQFYPYFIPY-HNNXBMFYSA-N	418.440	3.653	10	20	HHCD	
O=C(NC[C@@H]1CCCN1C1CCCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	798120338	RAFNSGSCIAKHCH-FCHUYYIVSA-N	415.578	3.880	10	20	HHCD	
CCc1onc(C)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800636312	IXCOLNQQWSHFAF-ZDUSSCGKSA-N	418.925	3.690	10	20	HHCD	
Cc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1C	801993613	YLFZPGCUZDJHGX-JOCHJYFZSA-N	406.530	3.896	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CC[C@](F)(CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	802011222	MKXXAAOJNOJSCS-YCRPNKLZSA-N	410.436	3.673	10	20	HHCD	
Cc1ccc(C2=NO[C@@H](CNC(=O)NCCCSc3nccs3)C2)cc1C	802243519	CCSJEGPUGQDKKV-MRXNPFEDSA-N	404.561	3.735	10	20	HHCD	
CCOCCCN1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)[C@@H](C)C1	805124225	HWTIYLGOSQXLQM-GUYCJALGSA-N	418.365	3.635	10	20	HHCD	
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806685569	UYQGLJIBKYTHKD-QFBILLFUSA-N	422.520	3.525	10	20	HHCD	
O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc2ccsc12	807385583	NIXHNTMKVHXJKL-UHFFFAOYSA-N	405.273	3.624	10	20	HHCD	
CCN(CC)Cc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807513373	MQUBAYOGWUHVTR-UHFFFAOYSA-N	424.328	3.796	10	20	HHCD	
CC(=O)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2	808483470	NOHNQXKSLFBOTE-VBKFSLOCSA-N	401.418	3.742	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(F)(F)[C@H](C)C1	810045830	WXOWIDGZNZGTQG-KGLIPLIRSA-N	412.436	3.766	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)[C@@H]1OCCc2sccc21)c1ccc(N2CCOCC2)cc1	813606558	TVTBVMPENUPWMW-MRUHUIDDSA-N	415.559	3.647	10	20	HHCD	
CCc1ccc(CN(C)C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	914906621	ODNVUYZKBDHTEW-UHFFFAOYSA-N	405.498	3.867	10	20	HHCD	
CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	920871407	JVWGHKUFNZVBRR-SFHVURJKSA-N	424.545	3.792	10	20	HHCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCc2c(ncn2-c2ccccc2)C1	929083098	WNHIGWWCVWZHJV-LJQANCHMSA-N	417.557	3.946	10	20	HHCD	
CO[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1	1116230969	NTHBVMLGMLKHRJ-FQEVSTJZSA-N	403.523	3.566	10	20	HHCD	
COc1cc(Br)cc(CN(C)Cc2nc(O)c3sccc3n2)c1O	1255002791	ZANHKDNPQIOVSQ-UHFFFAOYSA-N	410.293	3.506	10	20	HHCD	
COc1cccc2cc(CNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)oc12	1318283173	IKWRPIQJYFKFNQ-INIZCTEOSA-N	409.486	3.838	10	20	HHCD	
C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)CCC(F)(F)F	1319325892	YVKYTZKASWZZOV-GFCCVEGCSA-N	404.388	3.673	10	20	HHCD	
Cc1cc[nH]c1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1842229401	SARKCWMFQHIGJU-UHFFFAOYSA-N	416.525	3.861	10	20	HHCD	
Cc1ccc(SCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1	7016379	ZGKQYTVPVVHYSA-UHFFFAOYSA-N	400.544	3.663	10	20	HHCD	
Cc1ccc(-c2nn(CN(C)Cc3ccc(N4CCOCC4)cc3)c(=S)n2C)cc1	16878814	ATTORVZKWPSBQX-UHFFFAOYSA-N	423.586	3.853	10	20	HHCD	
CCCn1c(=O)n(CCC(=O)N(CC)Cc2ccc(N(C)C)cc2)c2ccccc21	105282627	ANDUFSYGHBQEJF-UHFFFAOYSA-N	408.546	3.718	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCN(Cc4nc(C)c(C)o4)CC3)c2C)c1	303308487	JUVGKTNUSNISJM-UHFFFAOYSA-N	406.530	3.965	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3coc(-c4cccs4)n3)CC2)cc1	726609701	BKYAVJYJNSEEIZ-UHFFFAOYSA-N	412.515	3.880	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cc(Br)ccc1F	727245744	CLACRKCIZJVOCT-UHFFFAOYSA-N	414.281	3.908	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)ccc21	727601947	FJZFAXPDVCPOPT-NRFANRHFSA-N	401.457	3.630	10	20	HHCD	
CCC[C@H]1CCc2c(sc(=O)n2CN2CCCN(c3ccc(OC)cc3)CC2)C1	728045606	USHHUMBWDKRCCV-SFHVURJKSA-N	415.603	3.993	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCNc3ncnc4sccc34)ccc21	728516669	WKYAWCUMNQNGPA-UHFFFAOYSA-N	423.542	3.751	10	20	HHCD	
CCOc1ccc(CN[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)c(O)c1	729682886	GWHZDFXFGSSOFW-QGZVFWFLSA-N	401.526	3.923	10	20	HHCD	
Cc1ncsc1CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	731219614	ARFHTWNZVGQSON-KBPBESRZSA-N	406.527	3.546	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c3ncccc23)cc1F	731409193	NBPAKCPQPCDXAN-UHFFFAOYSA-N	408.477	3.783	10	20	HHCD	
COC(=O)CCc1nc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)no1	731939883	WZYMBGLUMLOKJE-UHFFFAOYSA-N	424.482	3.972	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cc1	732257848	FZOFDJIGMAGHCL-RUZDIDTESA-N	423.376	3.719	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(C)c1I	734403090	VOJSEGOQNCUEMV-UHFFFAOYSA-N	408.283	3.904	10	20	HHCD	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N(Cc1ccco1)Cc1ccccc1O	743429817	ATXWFZLJEDLRLM-UHFFFAOYSA-N	418.497	3.964	10	20	HHCD	
C[C@H](CCc1cccn1C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	743661064	UMMSNWLWRXISRB-MRXNPFEDSA-N	420.504	3.916	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc(N(C)C)cc3C)ccc2NC1=O	745932737	RSWNQJXNCLRBAF-YWZLYKJASA-N	410.518	3.731	10	20	HHCD	
COc1cc([C@@H](C)NC(=O)NCc2ccccc2O)ccc1OCc1ccncc1	748459296	FLBNAGWZNSJBAM-MRXNPFEDSA-N	407.470	3.935	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1SCCc2ccccc21	749611154	GZTMLILPYXXJFR-QFIPXVFZSA-N	411.571	3.695	10	20	HHCD	
CCOC(=O)Nc1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753874807	ADQGQQWZGQKNNT-UHFFFAOYSA-N	416.453	3.757	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCCCCc3ccc(O)cc3)CC2)cc1F	754036559	AVRISIHSJZCDOI-UHFFFAOYSA-N	400.494	3.992	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1	754923516	TVELAHAFZUHCFK-UHFFFAOYSA-N	418.497	3.927	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cccc(NC(=O)c3ccncc3)c2)c1	756459230	LZJWHXRIESSHAX-HNNXBMFYSA-N	405.454	3.677	10	20	HHCD	
C[C@@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)c(F)cc1O	756784110	LSUJECHELZWLOT-HIFRSBDPSA-N	421.310	3.993	10	20	HHCD	
C[C@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)c(F)cc1O	756784114	LSUJECHELZWLOT-ZFWWWQNUSA-N	421.310	3.993	10	20	HHCD	
CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c1	757621313	BQLNJTCQUUEKLC-CABCVRRESA-N	420.531	3.570	10	20	HHCD	
C[C@H](NC(=O)c1cccc(Br)c1F)c1ccc(N2CCOCC2)cc1	757876130	FFJDRIPZIYXQFR-ZDUSSCGKSA-N	407.283	3.916	10	20	HHCD	
O=C1/C(=C\c2cc3ccccc3s2)SC(=S)N1CCCN1CCOCC1	758415677	JOEAYHAAQASUJF-GHRIWEEISA-N	404.582	3.825	10	20	HHCD	
O[C@H]1CCC[C@@]1(CNCc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(F)cc1	758580182	HSSBCXPXLDXNPO-ZEQRLZLVSA-N	416.512	3.665	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cncc2ccccc12	758966723	XEEQJRRTBGCULC-UHFFFAOYSA-N	402.498	3.822	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1	762968808	RKMFXPZRGWYNMQ-GOSISDBHSA-N	422.485	3.964	10	20	HHCD	
CC(=O)OCCc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	764703592	VCPUBUISSGUOPM-NRFANRHFSA-N	412.486	3.711	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1F	765330748	ZMJXEIPQYXPUKS-GCJKJVERSA-N	413.493	3.586	10	20	HHCD	
CCC[C@@H]1C(=O)NCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12	765699616	AEOQWMBRLBWYLW-LJQANCHMSA-N	406.482	3.575	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1	765759232	CCEFTHHUEZXXAC-UHFFFAOYSA-N	406.442	3.550	10	20	HHCD	
COc1ccc(NCc2ccc(N3CCOCC3)cc2)c(I)c1	766222113	DHMOOVQHKQNUPU-UHFFFAOYSA-N	424.282	3.749	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1O	769534282	ZHFPTKUMWLUCJL-MRXNPFEDSA-N	411.424	3.522	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1	773042044	DDZIEWXOEUGTOB-MRXNPFEDSA-N	419.547	3.521	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)c1ccc(N(C)C)cc1	773844409	APVDMVHYHGXVAE-NSHDSACASA-N	411.836	3.823	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1)c1ccc(N(C)C)cc1	773847129	ODCIUVBKRBCJRS-INIZCTEOSA-N	404.470	3.756	10	20	HHCD	
COc1cccc(OC)c1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	775140405	XMVNPMVNYMBIMI-UHFFFAOYSA-N	412.439	3.906	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2cnn(C)c2)c(C)n1-c1ccccn1	775237232	VIUHCAQZVXGSTA-QFIPXVFZSA-N	403.461	3.881	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	775254506	JQBBSNUCMUEALX-DVECYGJZSA-N	406.526	3.767	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1	775380234	WPJHAKZSYAEONH-INIZCTEOSA-N	405.498	3.849	10	20	HHCD	
CC(=O)c1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)nc1C	776851614	LPWZPNMMXWOZIN-INIZCTEOSA-N	417.456	3.901	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC1	780297067	GICGBGNDIIISTC-LJQANCHMSA-N	416.566	3.876	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCN(C2CCC2)C1	781361588	AYNDZTHBGHFNGQ-ICSRJNTNSA-N	416.635	3.692	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(C(F)(F)F)c(F)c1	784413529	MTYAQFAABMPJOC-UHFFFAOYSA-N	410.411	3.983	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1	784563290	DTDFLPGGLPQBCV-UHFFFAOYSA-N	412.408	3.538	10	20	HHCD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	789744224	PKJLRUCYEAHGMF-HNNXBMFYSA-N	409.490	3.606	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)Sc1ccccn1	791251013	VXWIZRGKOROKMN-MRXNPFEDSA-N	415.559	3.951	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc32)cc1)C1CCCCC1	793679158	YPRQQIFKGICDPV-FQEVSTJZSA-N	405.542	3.528	10	20	HHCD	
Cc1noc(C)c1C(C)(C)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	796665423	IGBWNUPFDCARBH-UHFFFAOYSA-N	417.465	3.530	10	20	HHCD	
CCOC(=O)c1nn(C)cc1CNCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800526945	UJHQPJKOUQCWME-HNNXBMFYSA-N	404.942	3.776	10	20	HHCD	
Cc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c(-c2ccnn2C)c1	801720782	KXMHKDKNPTVQPZ-UHFFFAOYSA-N	408.521	3.786	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)OC	802609666	IKXPHNAPSSNPNP-UHFFFAOYSA-N	418.877	3.600	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(CC(C)(C)C)CC(C)(C)C)c1ccc(N2CCOCC2)cc1	803299426	LEOVCVJWMVVJBI-SFHVURJKSA-N	417.594	3.621	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1	807179632	XGTMFZOHYIZCQO-FYYLOGMGSA-N	407.558	3.629	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	810362152	LFCJNRVEQFCRMY-UHFFFAOYSA-N	424.501	3.648	10	20	HHCD	
COc1cc(N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc(OC)c1OC	814367631	UDXJHNYQMHIRHO-UHFFFAOYSA-N	407.854	3.601	10	20	HHCD	
Cc1cc(C)n(-c2ccccc2NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	916677820	NWFZQGNCAZOXBS-UHFFFAOYSA-N	423.492	3.787	10	20	HHCD	
O=C(CCc1cccc(Br)c1)NCc1ccc(N2CCOCC2)c(F)c1	917706678	HAIVOQVDHWYTEU-UHFFFAOYSA-N	421.310	3.674	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1	918027578	ORIRNWPMZBARPA-HNNXBMFYSA-N	420.435	3.729	10	20	HHCD	
COc1ccc(N(C)CC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1OC	920418570	LLSVBXJIEZLYMI-UHFFFAOYSA-N	400.372	3.614	10	20	HHCD	
Cc1csc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)c1	1793746739	LCLJTEDIZUTQBJ-BTTYYORXSA-N	420.918	3.687	10	20	HHCD	
O=C(COC(=O)c1cc(F)cc(F)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O	25022057	QGWGKQIWAMUUKE-UHFFFAOYSA-N	421.355	3.536	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)COCC3=CC[C@H]4C[C@H]3C4(C)C)CC2)cc1	108102307	HRNUPMRHNDYXAB-BGWNEDDSSA-N	414.590	3.577	10	20	HHCD	
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCOc2cc(N(C)C)ccc21	555856404	OBBJFCXWXLIQGM-UHFFFAOYSA-N	420.263	3.771	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(CCNCc2ccc(N3CCOCC3)c(F)c2)CC1	727467109	MSYHEDLSGGDLML-UHFFFAOYSA-N	421.557	3.789	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3(C(=O)NC4CC4)CCC3)c2C)cc1	729738157	OILWWBJPNPHRTF-UHFFFAOYSA-N	408.498	3.577	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CN2C(=O)CCc3ccccc32)cc1	731969363	JUYLZURHIYBTBS-UHFFFAOYSA-N	417.509	3.854	10	20	HHCD	
O=C(CCOc1ccccc1Br)NCCCSc1nccs1	733972646	KCPBEOHNXIBVOA-UHFFFAOYSA-N	401.351	3.973	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1	734407283	LLVHVFCSIFMAAR-UHFFFAOYSA-N	409.917	3.854	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c(C)n1-c1ccccc1Br	736585260	CBPBSAUWZSTQJJ-UMFZYTJCSA-N	423.376	3.838	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCCC[C@@H]3c3ccco3)cc2)C1	737036814	LPNGZAAUJODTSE-TZIWHRDSSA-N	424.545	3.808	10	20	HHCD	
CCN1CCc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc21	737116267	AGLGQQQHAMJFPU-UHFFFAOYSA-N	420.557	3.656	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@@H](Cc3ccccc3)C(C)C)CC2)cc1	739492471	CQTBEYIERVQDNW-VWLOTQADSA-N	423.601	3.838	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1	741070438	GBNJJTZLKUUEFI-UHFFFAOYSA-N	404.536	3.568	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)CC2)cc1	741554511	UIOPPHZDRCDUPA-UHFFFAOYSA-N	423.557	3.756	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(OC2CCOCC2)cc1	742048514	PXLDNYKVWKSUAD-UHFFFAOYSA-N	412.555	3.728	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)/C=C\c2cccnc2)NC(=O)OC(C)(C)C)cc1	742752170	ZHVNZIWBEDXRGV-VPLQDYMCSA-N	410.518	3.543	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[C@@H]2CCC[C@H](C1)C2=O	742806173	QAJRKXWBLZQVOQ-WFVVYAPDSA-N	406.473	3.768	10	20	HHCD	
COCc1ccccc1CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743530650	ZFKRWBBMFLBLMX-SFHVURJKSA-N	419.472	3.903	10	20	HHCD	
Cc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)C2=O)cc1	745858929	OCGQIIXKISFHPP-HSZRJFAPSA-N	420.557	3.932	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CNc3ccccc3Cl)cc2F)C[C@H](C)O1	745861492	JZUBJWGOFKXWRR-GJZGRUSLSA-N	405.901	3.821	10	20	HHCD	
Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	747755051	MDZYZFBHXSAPJR-UHFFFAOYSA-N	421.541	3.941	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccn(-c2ccccc2Cl)n1	747870524	BFJOBFXDRPQFHW-UHFFFAOYSA-N	424.932	3.664	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCC[C@H]1C	749697305	VKAQDCCZOHFTQX-IAGOWNOFSA-N	421.501	3.946	10	20	HHCD	
C[C@@H]1C(=O)Nc2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc2N1C	749878682	LXGXNZFKXUJEPA-QGZVFWFLSA-N	406.530	3.726	10	20	HHCD	
CCOC(=O)c1c(NC(=O)Cc2cnn(C)c2)sc(C)c1-c1ccc(F)cc1	751068753	OCFYINARCGVUTQ-UHFFFAOYSA-N	401.463	3.954	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc(C(F)(F)F)c1	753837219	IREXCBLOSYMDEF-UHFFFAOYSA-N	403.404	3.645	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3cc(F)ccc3SC)CC2)cc1F	753918962	QWNMYVORGQDSJD-UHFFFAOYSA-N	407.486	3.727	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c2c(O)ccc(F)c21	756549497	FVISHFFNJBYVFB-MOXGXCLJSA-N	411.521	3.567	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1	756838629	OBHNHDOVFUPZHV-ZMZPIMSZSA-N	417.811	3.933	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	757958487	HQGACJQNVIRUKE-SIKLNZKXSA-N	412.917	3.962	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)CC(C)(C)O4)cc2)CC1	759502171	BXVKKNDDNKYLNW-UHFFFAOYSA-N	421.541	3.891	10	20	HHCD	
COc1cc(N2CCN(Cc3nc(C(F)(F)F)cs3)CC2)cc(OC)c1OC	759886679	OUCQLHBDGXAIEO-UHFFFAOYSA-N	417.453	3.510	10	20	HHCD	
COCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OC)c(OC)c1	760863302	RPDYEZOAQCPWQB-UHFFFAOYSA-N	413.430	3.920	10	20	HHCD	
Cc1cnc(C2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)s1	763221103	SJNCEWMYNAKOKM-KRWDZBQOSA-N	414.575	3.938	10	20	HHCD	
CCCSc1nsc(NC(=O)NCc2cccc(Br)c2O)n1	765316417	YJQKPSFMJNNZMX-UHFFFAOYSA-N	403.327	3.830	10	20	HHCD	
COc1ccccc1-c1cc(C(=O)NCc2cccc(Br)c2O)no1	765728491	UCNFORPRAUUFFV-UHFFFAOYSA-N	403.232	3.748	10	20	HHCD	
CON(C)C(=O)[C@H](CCSC)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	766273184	ODJBXPQSXKKPHO-SFHVURJKSA-N	423.966	3.619	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(-c2ncco2)cc1	766576768	JXPHNIQYKAUUPX-UHFFFAOYSA-N	418.497	3.929	10	20	HHCD	
COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1[N+](=O)[O-]	766762061	UXVRPJZDFRAQIS-CYBMUJFWSA-N	421.400	3.604	10	20	HHCD	
Cc1ccc(C(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)c(O)c1O	770503658	SNABVQCFVVWZPX-QGZVFWFLSA-N	422.447	3.933	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccn1Cc1ccncc1	771059498	SDTFKKHTRUICPN-HXUWFJFHSA-N	424.932	3.685	10	20	HHCD	
COc1ccc(N2CCN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC2)cc1F	774635460	IRNDWQBYBUFCPC-UHFFFAOYSA-N	419.844	3.525	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CNC3(c4cccc(Cl)c4)CCCC3)nc12	775539997	XDBZSDOEARWZCQ-UHFFFAOYSA-N	414.893	3.824	10	20	HHCD	
COc1ccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1N1CCOC1=O	777106105	FFCIHJQZXLWEBN-OAHLLOKOSA-N	415.465	3.801	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1csc2ccccc12	779152765	SFFPOHFTHDJMLY-UHFFFAOYSA-N	411.552	3.709	10	20	HHCD	
O=C(Nc1c[nH]nc1-c1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	782782867	YSHOTGSBWQJOHC-UHFFFAOYSA-N	416.437	3.543	10	20	HHCD	
COc1ccc([C@@H](CCn2cncn2)NC2CCN(c3ccc(OC)cc3)CC2)cc1	783238109	QITCTCOFOMSARO-XMMPIXPASA-N	421.545	3.685	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(N)cc1	783483507	ZGGXUJOYIOSFJN-INIZCTEOSA-N	417.465	3.773	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1	783937550	CYASJSNAAHHLGN-IHPCNDPISA-N	416.566	3.587	10	20	HHCD	
CN1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	785025900	COSBBLPKYNTRHZ-UWJYYQICSA-N	405.502	3.983	10	20	HHCD	
O=C(NCC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1)OCc1ccccc1	787331053	MIQAAWOVDJZABW-UHFFFAOYSA-N	423.557	3.662	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	787447004	WJVVHNVDQAVZKP-UHFFFAOYSA-N	408.410	3.558	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(O[C@H]2CCOC2)cc1	788741285	HJLYPHYUOKHSTG-DEOSSOPVSA-N	421.541	3.639	10	20	HHCD	
Cc1nc(O)c(Br)cc1C(=O)NCc1ccc(N2CCCCC2)cc1	795767491	IFCKDNDYIZDOIT-UHFFFAOYSA-N	404.308	3.778	10	20	HHCD	
CC[C@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)ccc1O	797041225	XUGZOHFHLHRBHT-RDJZCZTQSA-N	410.356	3.876	10	20	HHCD	
C[C@@H](NC(=O)NC[C@H](O)c1cccc(Br)c1)c1ccc(N(C)C)cc1	799974646	CXSNZKGYTZOMKZ-ACJLOTCBSA-N	406.324	3.609	10	20	HHCD	
CCC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800050118	NMRGHLLGJNVWQJ-UZLBHIALSA-N	405.970	3.984	10	20	HHCD	
CCc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c2c(CC(C)(C)C)noc2n1	800323568	SUWFUAFQYYQMLU-UHFFFAOYSA-N	412.442	3.825	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	802274333	YNLZCIILFISQLU-MRXNPFEDSA-N	417.456	3.788	10	20	HHCD	
Cc1cccnc1[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C(C)C	805873827	SLALBHHAGVBVDS-NRFANRHFSA-N	421.497	3.731	10	20	HHCD	
O=C1COc2c(cc(Cl)cc2NC(=O)NCc2ccc(N3CCCC3)cc2)N1	806757088	RUULYFVMSVILSB-UHFFFAOYSA-N	400.866	3.593	10	20	HHCD	
COc1cc(SC)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807512743	HIGCCHUEZVADOL-UHFFFAOYSA-N	415.298	3.684	10	20	HHCD	
O=C(CNC(=O)c1c(F)cccc1Cl)NCc1cc(Cl)cc(Cl)c1O	807838901	CAGNYZGGVHICDR-UHFFFAOYSA-N	405.640	3.538	10	20	HHCD	
CN(C)CCN(Cc1ccc(F)c(F)c1)Cc1ccc(N2CCOCC2)c(F)c1	809738096	SDWBKJXBNVFMSE-UHFFFAOYSA-N	407.480	3.504	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(COc4cc(C)ccc4C)n3C)CC2)cc1	809873603	NTERKWZEQSQUKD-UHFFFAOYSA-N	421.545	3.736	10	20	HHCD	
C[C@H]1CN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CCC1(F)F	810044821	QFFSPUHWXNYQFC-UONOGXRCSA-N	412.436	3.766	10	20	HHCD	
COc1ccc(N2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CC2=O)cc1	914507708	RSLHZAZTHNVHBE-IBGZPJMESA-N	409.530	3.551	10	20	HHCD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1	916624967	YYBJUWLEPDCWLS-UHFFFAOYSA-N	412.559	3.572	10	20	HHCD	
O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	917364992	URTJJEBRZKXZHL-YADHBBJMSA-N	411.498	3.771	10	20	HHCD	
Cc1ccc(CCCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1	918191579	UDUPAJQRCNXWFQ-UHFFFAOYSA-N	409.574	3.944	10	20	HHCD	
Cc1nc(N(C)C)sc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1116431821	OGXYGAMRPGIOTA-ZDUSSCGKSA-N	410.490	3.518	10	20	HHCD	
OC[C@H](CNCc1ccc(N2CCCC2)cc1)Cc1ccccc1Br	1339026994	BHFZZQNRPOOKAO-SFHVURJKSA-N	403.364	3.990	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Br)cc1	96970935	OBTVMSGXFWDMSS-SFHVURJKSA-N	419.319	3.774	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CSc3cc(C)ccc3C)cc2F)CC1	303312400	PKLNNEDMEYUWBC-UHFFFAOYSA-N	415.578	3.993	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3COc4cc(OC)ccc4C3)ccc21	502891607	ZSIILGILOIXGEZ-LJQANCHMSA-N	408.498	3.647	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)n(C)c2ccccc12	503468767	LDLBZXRVXYOXGV-JLCFBVMHSA-N	407.489	3.682	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1	541086572	PRUZMPYSTVTTJC-UHFFFAOYSA-N	408.502	3.856	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565190	FTVOBVCNPULOMO-UHFFFAOYSA-N	421.400	3.604	10	20	HHCD	
COc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(C(N)=O)cc2)C1=O	726626760	FOKRHLJDWWSCJL-DHDCSXOGSA-N	404.900	3.853	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)c1ccccc1	728130257	WMZJHXBGFNCQFM-KRWDZBQOSA-N	413.537	3.952	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2c2ncnc3sccc23)cc1	728468308	VPBKXLNUTXELGA-IBGZPJMESA-N	409.559	3.823	10	20	HHCD	
COc1ccc(Br)c(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	728946595	GZFUTQIQPMKUMZ-LLVKDONJSA-N	409.280	3.732	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCC[C@@H]1c1ncc[nH]1	730126518	AHZHQHYUJKRHFF-GOSISDBHSA-N	419.476	3.917	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)cc1F	731763226	DPRMTFDTWMTCRB-UHFFFAOYSA-N	414.525	3.771	10	20	HHCD	
O=C(OCC[C@@H]1CCCCN1C(=O)c1cc(O)cs1)c1cccc([N+](=O)[O-])c1	732274196	MTPDDCOWNRRYCM-AWEZNQCLSA-N	404.444	3.604	10	20	HHCD	
Cc1cccc2c(CCC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c[nH]c12	741698302	WZKUIQXVUHFKMR-UHFFFAOYSA-N	405.542	3.934	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)ccc1F	742334220	GQLWDOKJSSLAML-CYBMUJFWSA-N	418.412	3.514	10	20	HHCD	
C[C@@H]1CN(c2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cn2)C[C@@H](C)O1	743429931	BVIGVSSYYSICMG-QZTJIDSGSA-N	421.497	3.836	10	20	HHCD	
CC(C)N1C(=O)CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1(C)C	743976170	OAFOWWCSCVMGJL-UHFFFAOYSA-N	421.501	3.898	10	20	HHCD	
C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(F)(F)F	745620663	BKTJVEXKSAOAAW-WDEREUQCSA-N	419.355	3.531	10	20	HHCD	
CCc1ccc(N2CCN(C(=O)NC3CCN(c4ccc(OC)cc4)CC3)CC2)cc1	745795003	BWSQKIWDYPNXDP-UHFFFAOYSA-N	422.573	3.758	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2NC(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H](C)O1	746764343	WCYBEVOLANPXGG-RTBURBONSA-N	422.573	4.000	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(CCO)[C@@H]3CCCc4ccccc43)CC2)cc1	749564419	KEDCIJXWEXOHGD-XMMPIXPASA-N	423.557	3.746	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	750853713	GVQNCJOYXLHUND-YADARESESA-N	419.569	3.903	10	20	HHCD	
CCN(CC)C(=O)N1CCC(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CC1	751302975	RZDAUYSCWMHLGV-UHFFFAOYSA-N	420.517	3.509	10	20	HHCD	
CCOC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)o1	751513091	NTSLBRXCLDJCJJ-NTEUORMPSA-N	403.437	3.560	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCCc2ccccc21	751929858	DKZYWMLNUHEHQJ-HNNXBMFYSA-N	421.522	3.841	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cnn(CCC(C)C)c1C(C)C	753833532	KZCWGWZEHGONRF-UHFFFAOYSA-N	413.566	3.682	10	20	HHCD	
C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(Br)cc1O	756355007	FEBFUDRIGUFYBK-QAPCUYQASA-N	405.336	3.706	10	20	HHCD	
COCCOC[C@@H](C)N[C@H](C)c1cc(Br)cc(Br)c1O	756732067	GTBHLJVTYMIFLX-NXEZZACHSA-N	411.134	3.619	10	20	HHCD	
COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CC2	761572814	CJXLHWMLRDLOPO-YRNRMSPPSA-N	412.505	3.794	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3COc4ccc(Cl)cc43)CC2)cc1	762061760	RPCLUPNNERZACP-IBGZPJMESA-N	401.894	3.704	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)c1	762654034	AGRBOVZCWQZGDI-LSDHHAIUSA-N	402.491	3.657	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(I)cc1	765281505	HDAIHEJUNPNLGU-OAHLLOKOSA-N	422.310	3.979	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(C)cc(N(C)C)cc2C)cc1F	766250899	WXSODLXHSHFRFQ-UHFFFAOYSA-N	414.525	3.610	10	20	HHCD	
COc1ccc(CN2CCCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2=O)cc1	767520177	ATDLPSYJSDDDBL-UHFFFAOYSA-N	412.530	3.638	10	20	HHCD	
COc1cc(CN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c(O)cc1C	768440617	RMQIXYOWKSXWEY-UHFFFAOYSA-N	409.313	3.974	10	20	HHCD	
O=S1(=O)CC[C@H](N(Cc2cc3c(cc2O)CCCC3)Cc2ccccc2F)C1	768464304	PXSBTTCVHQVGQY-FQEVSTJZSA-N	403.519	3.599	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1ccc(O)cc1	769349784	LBQAXBWKTWAQPL-LFIBNONCSA-N	418.565	3.752	10	20	HHCD	
O=C(CCN1CCCCC1)Nc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1	770545946	NANVBLVZXZYNAT-UHFFFAOYSA-N	422.573	3.950	10	20	HHCD	
CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccc4c(c3)CCCN4C)no2)c1	770716298	PLBXAJPNCIMKLB-UHFFFAOYSA-N	419.481	3.769	10	20	HHCD	
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2sccc2-n2c(C)ccc2C)c1	770804571	KZWGLURTWWKAKE-UHFFFAOYSA-N	404.513	3.907	10	20	HHCD	
COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nccn1C	773621436	YVOCDGJJNAVSTI-HRAATJIYSA-N	407.518	3.645	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(Oc3ncccc3F)CC2)c1O	775205193	FCDSYHUCPYMEFY-UHFFFAOYSA-N	411.271	3.741	10	20	HHCD	
C[C@@H](NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)c1ccc(N(C)C)cc1	775407834	WWRAIGXISFZVAT-GFCCVEGCSA-N	421.398	3.982	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1OC(F)(F)F	775534623	ARGIKUZBEFAXIE-UHFFFAOYSA-N	408.420	3.724	10	20	HHCD	
COc1cccc([C@@H](C)N2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)c1	776244381	IWUUILURNYGVGP-RTBURBONSA-N	410.562	3.911	10	20	HHCD	
Cc1c(F)cccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782423758	KAYIKPRYBUYKGJ-UHFFFAOYSA-N	409.461	3.961	10	20	HHCD	
COc1c(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cccc1C(N)=O	782705957	UBMFBHWAALJSTQ-UHFFFAOYSA-N	422.485	3.687	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21	783316750	LCPGSHGZRLFMNA-NRFANRHFSA-N	420.557	3.505	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)nn1[C@@H](C)C1CC1	784107734	UYTBYHGRCRBFEO-INIZCTEOSA-N	409.534	3.907	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1	789371439	ZVPVMQNWPYKTBO-BQFCYCMXSA-N	412.559	3.710	10	20	HHCD	
O=C(OC[C@@H]1CC2(CCC2)C(=O)O1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	791266295	NSPJGKFIVQMNKI-LBPRGKRZSA-N	424.836	3.758	10	20	HHCD	
CCC[C@@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@H](O)c1ccccc1	792067229	URVYUOCAJSGIBK-DHIUTWEWSA-N	411.546	3.866	10	20	HHCD	
O=C(CCOCC(F)(F)C(F)F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	792529362	DZONGVSHRKRKRT-UHFFFAOYSA-N	409.335	3.708	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	792792939	OIBQGMQXRMJDSR-NRFANRHFSA-N	424.545	3.601	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C[C@@H](C)NCc2ccc(OC)cc2O)sc(C)c1C	793388059	KCNASZGNHBPJOD-GFCCVEGCSA-N	420.531	3.763	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@]2(CCN(Cc3cccc(Br)c3O)C2)C1	793603597	CEXHYBWPKSWDDL-LJQANCHMSA-N	411.340	3.988	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c1O	797039884	LVCHIBDRFLDLIB-ZBFHGGJFSA-N	410.356	3.794	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2ccccc2c(=O)n1C	797194041	OTMXBNFTHFTJOC-UHFFFAOYSA-N	415.287	3.669	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C	801599263	HUIOOCFYEZFSEF-IBGZPJMESA-N	411.546	3.755	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1F	804852096	ZDMIMCJWCILYDN-CQSZACIVSA-N	421.463	3.786	10	20	HHCD	
CN(C)C(=O)C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1	806531285	JSJWZYGEMLRWHT-INIZCTEOSA-N	410.301	3.718	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)[C@H](OC)c1ccccc1Cl	806860655	UMQNQLMRFWBEMY-YWZLYKJASA-N	418.921	3.677	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(c2ccccc2Cl)CC1	807319304	YHRHYOZVSQPRNC-UHFFFAOYSA-N	413.949	3.603	10	20	HHCD	
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837212	HCXAYPOGNDFSNA-ZDUSSCGKSA-N	405.347	3.653	10	20	HHCD	
O=C1CC(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)(c2ccccc2)C1	810449262	DKFMTNYPWGCKSZ-KRWDZBQOSA-N	414.452	3.674	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2nc(C3CC3)ncc2Br)cc1	813803430	HKXMZEFLGJJNPD-UHFFFAOYSA-N	403.324	3.893	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN(C)Cc2ccccc2S(N)(=O)=O)cc1	816626528	LZROWZMEOYOZOA-UHFFFAOYSA-N	423.582	3.993	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)C2CC2)cc1	914436936	DXPMYUWMZKFFBX-KRWDZBQOSA-N	411.933	3.950	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(CN2CCCCC2)c1	915779197	XSYLLRNTJGYOHS-UHFFFAOYSA-N	420.557	3.528	10	20	HHCD	
Cc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	918117075	GHDAUCCHDLSAHN-FYYLOGMGSA-N	420.557	3.743	10	20	HHCD	
O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	919971411	WLMHKXCZHFRFQN-UHFFFAOYSA-N	410.411	3.665	10	20	HHCD	
COc1ccc(C)cc1-n1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	920881497	FKPUCQDNFWPMSE-SFHVURJKSA-N	420.513	3.517	10	20	HHCD	
COc1ccc(-c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)cc1-n1cnnn1	1328167605	JGAUENKMLJJNQL-UHFFFAOYSA-N	413.441	3.795	10	20	HHCD	
Cc1ncoc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1842503531	CRBZXANMUUKJMY-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1	108872155	HVFCIUVXYFGSLI-UHFFFAOYSA-N	407.489	4.000	10	20	HHCD	
Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807672340	BSTAOUAATFYZDI-AWEZNQCLSA-N	407.436	3.573	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H](C)c1ccccc1	806870003	CXBLHFZRHMLSEV-UXHICEINSA-N	407.558	3.944	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3cc4ccccc4o3)cc2)CC1	805025512	QNTAFHFIOGDYIX-UHFFFAOYSA-N	419.525	3.944	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3ccc(F)cc3)cc2Cl)C1	800571458	JXLWEAVDZAZCKN-OAHLLOKOSA-N	417.912	3.648	10	20	HHCD	
CC(C)OC[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800719914	PIXARCLSCSMXNS-SJLPKXTDSA-N	411.974	3.504	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(Cc3c(O)ccc4ccccc34)CC2)C1	808229272	RSEXZKCVCQIAOK-LJQANCHMSA-N	411.546	3.672	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)C2CC2)cc1	807177914	FUDPBMXGNLUKTB-ZJSXRUAMSA-N	419.569	3.771	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(OC(F)F)cc2F)C2CC2)cc1	802551366	SIOYDDGBXREXGR-UHFFFAOYSA-N	421.419	3.623	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2[N+](=O)[O-])SC1=S	811626486	JTRRNCUOZKDOLY-YHYXMXQVSA-N	421.283	3.968	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](O)c1ccc(Cl)cc1	813464940	IZGFUQSQYMZLQZ-CRAIPNDOSA-N	410.848	3.760	10	20	HHCD	
C[C@H](NS(=O)(=O)Cc1ccc(C(F)F)cc1)c1ccc(N2CCOCC2)cc1	815000999	SDHVCVHVXSHRSH-HNNXBMFYSA-N	410.486	3.641	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3csc(-n4c(C)ccc4C)n3)CC2)cc1	726561697	LZZDHPFMJOURER-UHFFFAOYSA-N	424.570	3.887	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(-c4ccccc4Cl)c3)CC2)cc1	726561575	FRNYLSHJEHGODS-UHFFFAOYSA-N	410.905	3.933	10	20	HHCD	
CCc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1O	813413943	XJXSQLNFFSITNY-UHFFFAOYSA-N	408.420	3.740	10	20	HHCD	
CC(=O)NC1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1	726276049	GFASGNIJJQHSFQ-UHFFFAOYSA-N	412.534	3.505	10	20	HHCD	
Cc1cc(C(=O)NCC(=O)N(C)CCc2ccccn2)c(C)n1-c1ccc(Cl)cc1	727406395	TVRKXYMMKFRUDX-UHFFFAOYSA-N	424.932	3.573	10	20	HHCD	
COc1ccc(Br)c(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	728946599	GZFUTQIQPMKUMZ-NSHDSACASA-N	409.280	3.732	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cc2)nc1	733663920	XHVBTAPSYRRHQM-UHFFFAOYSA-N	404.470	3.503	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H](N3CCCCC3=O)C2)c(C)n1-c1cccc(F)c1	732811965	KGLGSDBVYQNUGK-NRFANRHFSA-N	411.521	3.893	10	20	HHCD	
Cc1ccc([C@H](NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)cc1	731844874	PLWMQJCQZNDJIK-DHLKQENFSA-N	408.542	3.949	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(CSC)c2)cc1F	731763799	NAARPIYQTOXCDV-UHFFFAOYSA-N	403.523	3.790	10	20	HHCD	
CCN(CC)C(=O)COc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1	734645553	PZGLHXPGGIRITQ-UHFFFAOYSA-N	412.534	3.630	10	20	HHCD	
O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(N=Nc2ccccc2)cc1	912724131	MANDGVMMLSQSOC-UHFFFAOYSA-N	401.474	3.653	10	20	HHCD	
CCOc1cc(C(=O)N(C)C)ccc1NC(=S)NCCCN(C)c1ccccc1	749826176	BUURICFVSPNSQV-UHFFFAOYSA-N	414.575	3.600	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	741925529	RKPNRXFJTDVEFW-UHFFFAOYSA-N	405.401	3.903	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)NCc3c(O)ccc4c3CCCC4)cn2)C[C@@H](C)O1	743098830	SUNONQMRIMBPDK-IYBDPMFKSA-N	410.518	3.601	10	20	HHCD	
O=C(NCCc1cnn(-c2ccccc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	916243250	SJDAIIZMGANZGI-JOCHJYFZSA-N	420.513	3.511	10	20	HHCD	
CC[C@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1	740905522	LUHYGJVEYWNVHZ-SFHVURJKSA-N	406.530	3.591	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)n1-c1ccccn1	914903875	SSFLZGDELDQQPE-OAHLLOKOSA-N	408.414	3.581	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C3=NO[C@@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1	919693014	XQXGDPGKYKZACP-XCGNWRKASA-N	411.477	3.573	10	20	HHCD	
C[C@H](NC(=O)NCc1cccnc1OC1CCCC1)c1ccc(N2CCOCC2)cc1	920869773	ACPHZOMZWXSVCF-SFHVURJKSA-N	424.545	3.800	10	20	HHCD	
CCc1noc(CC)c1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	755127890	PWHXBQPEQHMCLN-HUUCEWRRSA-N	418.513	3.552	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCN(c2ccccc2)C1=O	752863439	MBXPXAFQYMYMSN-QFIPXVFZSA-N	406.530	3.624	10	20	HHCD	
CCOC(=O)c1c(C)oc2ncnc(NCc3ccc(N4CCSCC4)cc3)c12	752633634	XSJWEKDRYGINJW-UHFFFAOYSA-N	412.515	3.873	10	20	HHCD	
C[C@@H](NCCN1CCSCC1)c1cc(Br)cc(Br)c1O	756573717	BWJDYPBGZHBPJZ-SNVBAGLBSA-N	424.202	3.617	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3C)CC2)cc1F	753859940	CAUXBAQZEURBBU-OAHLLOKOSA-N	405.901	3.945	10	20	HHCD	
C[C@H](NCCCNC(=O)c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O	756527452	XXFVDEPVNILWNJ-LBPRGKRZSA-N	422.279	3.534	10	20	HHCD	
CN(C(=O)NCCCSc1nccs1)C1CCN(C(=O)c2ccccc2)CC1	759600340	DNMNLCXQJHJQSZ-UHFFFAOYSA-N	418.588	3.572	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1	750519615	PBGKCGMCOHUGJA-KRWDZBQOSA-N	419.489	3.779	10	20	HHCD	
CC(C)Cn1ncnc1COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	754438547	XMDRVHPKNSINEV-UHFFFAOYSA-N	423.856	3.720	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CCSC)NC(=O)c1ccccc1	752663060	YIFFPMJYBUAFQW-OAQYLSRUSA-N	413.587	3.653	10	20	HHCD	
COC(=O)c1ccccc1CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	758901728	JPJKFZMHCJEGNM-QFIPXVFZSA-N	424.541	3.680	10	20	HHCD	
Cc1nccn1CCN[C@H](C)c1cc(Br)cc(Br)c1O	756507111	BCOMLMOKVJPRCO-SECBINFHSA-N	403.118	3.773	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COc2c(C)nn(C)c2C)cc1	758487068	VSZLNWOOAGCQLN-UHFFFAOYSA-N	422.529	3.724	10	20	HHCD	
CCN(CC)CCO[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769516983	XLVKBKTUCAKALF-HXUWFJFHSA-N	404.555	3.518	10	20	HHCD	
C[C@H](OC(=O)c1ccoc1Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	768961045	ZYCFSWIQMSHRCO-NSHDSACASA-N	423.808	3.892	10	20	HHCD	
Clc1cnc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c(Cl)c1	768264380	MWNUGSIDDVVKSX-UHFFFAOYSA-N	407.345	3.547	10	20	HHCD	
COc1ccc(CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1F	768911684	GYDJEVYNHOZLEZ-GOSISDBHSA-N	420.912	3.907	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccccc1Br)c1ccc(N2CCOCC2)cc1	764565813	GOJVBEWEKLNVIL-OAHLLOKOSA-N	418.335	3.575	10	20	HHCD	
COc1ccc(C(=O)NCc2cccc(Br)c2O)c(OCC2CC2)c1	765750703	JVWXFCPZGYPWQH-UHFFFAOYSA-N	406.276	3.882	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cc4cc(OC)ccc4o3)CC2)cc1	763437445	WGQDTOVTGVNHDI-UHFFFAOYSA-N	409.530	3.752	10	20	HHCD	
CC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1NC(=O)OC(C)(C)C	769485235	LZZPUVRQDINTOQ-TZIWHRDSSA-N	403.567	3.648	10	20	HHCD	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(Cc1ccc(N3CCOCC3)c(F)c1)CC2	769514862	PAFCDTOQAALFJT-OALUTQOASA-N	419.541	3.636	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ncc(C(N)=O)cc3Cl)cc2Cl)C1	1116922037	QLRKACZYPBEVNA-GFCCVEGCSA-N	421.328	3.654	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCOC2(CCOCC2)CC1	769278378	IVMZZADPNSDABE-UHFFFAOYSA-N	422.485	3.839	10	20	HHCD	
CCCSc1nsc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)n1	762950481	DFUYQHGYQCAESO-UHFFFAOYSA-N	407.565	3.793	10	20	HHCD	
COc1ccc(N2CCC(NCc3c(Cl)cccc3S(C)(=O)=O)CC2)cc1	775605765	FCTCQABPIZVIJP-UHFFFAOYSA-N	408.951	3.511	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1)c1ccc(N(C)C)cc1	773854189	ASSMMTSEMIZHCM-OAHLLOKOSA-N	421.526	3.510	10	20	HHCD	
C[C@@H](Sc1ccccn1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771058780	NWDUDTNSDKCTLR-RHSMWYFYSA-N	405.951	3.702	10	20	HHCD	
O=C1[C@@H](NCc2ccc(N3CCCC3)cc2)CCN1c1cccc(Br)c1	1116825342	LXJKKPIYNUGXOF-FQEVSTJZSA-N	414.347	3.944	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1OCC(F)F	773844335	DSEDFSKKQPUJKL-CQSZACIVSA-N	405.445	3.521	10	20	HHCD	
COc1ccc(NC(=O)Cc2noc(-c3ccc(-n4cccc4)cc3)n2)cc1OC	771036246	JIGLDCIVJYLCDS-UHFFFAOYSA-N	404.426	3.726	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCC1CCN(C2CC2)CC1	775199355	BMINCJPTWLQBSA-UHFFFAOYSA-N	410.356	3.561	10	20	HHCD	
C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(N2CCOCC2)cc1Cl	773069564	UVTGAWGNOYMEJI-HRAATJIYSA-N	405.970	3.761	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(Sc3ccncc3)cc2)c1	772534038	KTFDLASWCHMWCX-UHFFFAOYSA-N	415.496	3.562	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN([C@@H]3CCOC3)CC2)cc1	772714446	YUCNKTBOTFLAQG-HXUWFJFHSA-N	407.518	3.715	10	20	HHCD	
C[C@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1Cl	773121033	PABFHIAUNLLDRX-HNNXBMFYSA-N	409.958	3.694	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2cccc(OCC(=O)N(C)C)c2)c1O	779005632	XIFBTTGYNUXXNT-CQSZACIVSA-N	421.335	3.781	10	20	HHCD	
O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)O[C@H]1C=CCC1	780562187	JNOSSLZJLSTOMM-GFAPJHNFSA-N	424.341	3.912	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1	784025745	KLBNBBMVUVNQTQ-UHFFFAOYSA-N	412.877	3.609	10	20	HHCD	
CC(=O)N1CCN(Cc2cccc(NCc3cc(Cl)cc(Cl)c3O)c2)CC1	780554429	BWBJHMMAJUPHEY-UHFFFAOYSA-N	408.329	3.975	10	20	HHCD	
C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1cc(Br)ccc1O	783647763	RQKIITWAKGEPTH-OAHLLOKOSA-N	405.336	3.838	10	20	HHCD	
Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	789344947	OPYKJPPSIGEXOW-UHFFFAOYSA-N	423.492	3.603	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(CC(C)(C)C)cs2)cc1F	789484247	WSBBUKWZULUIOZ-UHFFFAOYSA-N	420.554	3.972	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)C2CCCCC2)cc1	784059213	GWAUNFQRLCOYMD-UHFFFAOYSA-N	420.513	3.700	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1	782081781	LYSDSFHDNXJTLY-UHFFFAOYSA-N	410.518	3.505	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)c3ccc(Cl)cc3)cc2)CC1	786657392	XEUKNVABHYIYOV-UHFFFAOYSA-N	413.949	3.603	10	20	HHCD	
Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnn1CC1CCCC1	790832679	HRZOTKFMSKZQJD-UHFFFAOYSA-N	414.465	3.804	10	20	HHCD	
COC(=O)c1nc([C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2C)sc1C	792094597	YZKKVAGZJBVHEF-KRWDZBQOSA-N	416.547	3.659	10	20	HHCD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1c(-c2ccccn2)nc2ccccn12	796776236	VERQGKCJLVOCQD-UHFFFAOYSA-N	418.407	3.971	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CC=CCC3)cc2Cl)C1	793820399	SLMUDXXMJROYQI-DLBZAZTESA-N	403.954	3.665	10	20	HHCD	
CCCCNS(=O)(=O)c1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c1	796403134	YIIHMTCRPWYBLP-UHFFFAOYSA-N	413.883	3.644	10	20	HHCD	
COC(=O)c1cc(NC(=S)NCCCN(C)c2ccccc2)c(C)c([N+](=O)[O-])c1	792685731	NSWLTBVTYTTXIQ-UHFFFAOYSA-N	416.503	3.503	10	20	HHCD	
Cc1nc(CSCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cs1	1317911141	DMOILYOFWFASKN-ZIAGYGMSSA-N	423.579	3.754	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC(Cc2c(F)cccc2Cl)C1	1319008523	FTPRZBCOLRWXLQ-UHFFFAOYSA-N	417.912	3.700	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3C[C@@H]3C3CC3)C2)cc1	1841273989	RHGOXFMSHDYYTK-PKTZIBPZSA-N	417.553	3.957	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(-c4nnnn4C)c3)c2C)cc1	9905701	JPTVGHYIXSQHPN-UHFFFAOYSA-N	402.458	3.546	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(Cc4ccccc4Cl)c3)CC2)cc1	110355293	VJZFOMZDUPXXRN-UHFFFAOYSA-N	424.932	3.992	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1OC	303781244	GUJLDLDWTPQHPT-UHFFFAOYSA-N	408.495	3.880	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O	302611327	BTBQLSFGYMJDAJ-UHFFFAOYSA-N	403.504	3.625	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2ccc(C)cc2)nc1-c1ccccc1	71564994	CJUGUDOOKOIYRT-UHFFFAOYSA-N	402.497	3.635	10	20	HHCD	
CCN(C(C)=O)c1nc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1	236840699	HXWWEVCFXYZSLL-OAHLLOKOSA-N	424.517	3.876	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3nccn3-c3ccccc3)CC2)cc1	806058307	IZCMYZRGXBWRIE-IBGZPJMESA-N	419.529	3.864	10	20	HHCD	
CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccco1	806439920	IFTHQHRECVDXCG-PXNSSMCTSA-N	416.591	3.761	10	20	HHCD	
CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	808536650	BMCPFCYBDNEXJQ-UHFFFAOYSA-N	415.559	3.816	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCCC12CCOCC2	800019435	IENDPGFMTJQNOH-LJQANCHMSA-N	423.504	3.905	10	20	HHCD	
NC(=O)Cc1occc1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	803939257	AZDZIYVWZWDAOF-UHFFFAOYSA-N	406.398	3.518	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCOC1	812389201	DWXCRFJGLQSPIA-QGZVFWFLSA-N	417.513	3.729	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC(C)(C)c3ccc(OC)cc3)CC2)cc1	726708402	AVZSMOOECVVVLY-UHFFFAOYSA-N	411.546	3.950	10	20	HHCD	
Cc1ncoc1-c1noc(CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1	820927380	PYWKKXYCYBWNDW-XYOKQWHBSA-N	418.525	3.929	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)cc1	726627779	QUDFOGXOGPNSOJ-XFFZJAGNSA-N	409.286	3.547	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)cc2F)CC1	730192954	TUKWIABPRHKPBC-UHFFFAOYSA-N	409.427	3.916	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O	734688905	ULZAQRMBZPPVFP-FQEVSTJZSA-N	414.937	3.661	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1	734018453	SIYAWFUIIPOQSR-GJZGRUSLSA-N	413.474	3.721	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cc3c(nc2O)CCC3)cc1	733651417	NZWSGGKFMJFLSJ-UHFFFAOYSA-N	420.513	3.847	10	20	HHCD	
Cc1cc2nc(C)c(CCC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c(C)n2n1	914439941	QZCCZBUSDGJPLR-UHFFFAOYSA-N	405.546	3.844	10	20	HHCD	
CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	917834867	SBFSXTJRRZVQCN-QUCCMNQESA-N	423.557	3.597	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)C2CC2)cc1	730168546	LMUYDURUPYZRQZ-IBGZPJMESA-N	403.592	3.581	10	20	HHCD	
Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	736986369	OAKJISXKWCJQSC-INIZCTEOSA-N	407.474	3.764	10	20	HHCD	
C[C@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)cc(Cl)c2O1	737382103	PTRLKDTXADBLOV-JTQLQIEISA-N	407.904	3.983	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1	916670632	ZJHIWCKGXPRCGT-UHFFFAOYSA-N	411.474	3.851	10	20	HHCD	
COc1cc([C@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)cc(OC)c1OC	743536409	JVUBGKQDBURAGM-AWEZNQCLSA-N	414.502	3.857	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(C(N)=O)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1	916645007	KGCMVMHYGVLZQU-UHFFFAOYSA-N	408.329	3.781	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c(C)c1	748865075	PATPXHQFPCMLTQ-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
COc1cc(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1SC	746724472	IXDMHTJNVOPKFA-UHFFFAOYSA-N	415.559	3.595	10	20	HHCD	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3ccc(N(C)C)c(F)c3)n2)n1	746867143	YSBXZGSISBZMNT-UHFFFAOYSA-N	401.873	3.673	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	748525727	NSKSBIJGOJFOMB-UHFFFAOYSA-N	419.554	3.832	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C)cc1	918118383	QIYSUKQXHJRLNK-IRLDBZIGSA-N	408.546	3.647	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1	749576353	NZTBQSYJRBLOCV-UHFFFAOYSA-N	415.627	3.655	10	20	HHCD	
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	914903490	MHEDFQMGDAFIHI-SJLPKXTDSA-N	421.497	3.920	10	20	HHCD	
Cc1cccc(OCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	917998589	LVEQTTMSRIWXNB-HDICACEKSA-N	415.509	3.626	10	20	HHCD	
CC(C)C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	918118274	XSRSFEUFZXHYFJ-JTHBVZDNSA-N	422.573	3.975	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(C)n1-c1ccccn1	918382228	UKFDWWDHTYIYTD-UHFFFAOYSA-N	404.514	3.616	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@@H](c2ccccc2)N2CCOCC2)ccc1N1CCCCC1	913170417	ZRYRHJCCJSFRDS-DEOSSOPVSA-N	424.545	3.748	10	20	HHCD	
COc1ccc(CCC(=O)NCc2ccc(N(C)C)c(F)c2)cc1Br	746803141	MOQWZNWMXSJACJ-UHFFFAOYSA-N	409.299	3.912	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C2CC2)cc1	742043539	BDCVPHJWOWFOFR-OAQYLSRUSA-N	411.933	3.950	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)N(C)C)c1	745295118	AICFJLVOBWLFFI-HSZRJFAPSA-N	412.578	3.984	10	20	HHCD	
CCc1c(NC(=O)NCc2ccc(N3CCSCC3)cc2)cnn1CC(C)C	757902641	DXPPHMRDPOTCHZ-UHFFFAOYSA-N	401.580	3.976	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CC[C@H](N4CC(=O)Nc5ccccc54)C3)c2c1	758975594	WTPWPIDKMBVKLI-KRWDZBQOSA-N	403.482	3.587	10	20	HHCD	
C[C@H](NC(=O)NCc1c(F)cccc1OC(F)F)c1ccc(N2CCOCC2)cc1	752006881	MQEXNCQCRLYAAC-AWEZNQCLSA-N	423.435	3.824	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3nnc(C4CC4)n3C3CC3)c2C)cc1	758794104	GRBAENWRZOZYMH-UHFFFAOYSA-N	405.502	3.837	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCCCSc3nccs3)ccc2NC1=O	759586195	ZVUGPYWOMHHJNK-DOMZBBRYSA-N	420.560	3.795	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N(C)C1CCCCC1	751931621	PARDIFWCXOHNIZ-AWEZNQCLSA-N	401.532	3.653	10	20	HHCD	
COc1ccc(OC(F)F)c(CNC(=O)NCc2ccc3c(c2)CCCN3C)c1	756958146	IYMIVDDUZCQNFR-UHFFFAOYSA-N	405.445	3.678	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	764414171	NRMPDFPMCCJGOW-CJNGLKHVSA-N	406.477	3.907	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCN1Cc1ccccc1	765252184	IFRLTVVDZIXETR-QDSKXPNFSA-N	420.601	3.531	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(Cc2cccs2)Cc2cccs2)c1	769687339	FZBPUOPZIZADKS-UHFFFAOYSA-N	422.553	3.729	10	20	HHCD	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1ccc(O)c(O)c1	768915073	XBEQIEDJLYCBEC-UHFFFAOYSA-N	400.431	3.789	10	20	HHCD	
COc1cc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)ccc1OCC(N)=O	765410976	VYDZMAKPNLUDMG-MRXNPFEDSA-N	415.509	3.540	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1	760318817	CPICLKMCOXHRMI-LBPRGKRZSA-N	424.419	3.624	10	20	HHCD	
Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(-c2ccccc2)ccc1O	769401771	ORDYYYUIIUYRDN-XMMPIXPASA-N	412.493	3.688	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)c1	763158434	ICJTXEYCUXFTPM-ZUOKHONESA-N	414.893	3.938	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cc(C(F)(F)F)ccn2)C2CCCCC2)cc1	773656927	CXKPIFHIKMQUDU-UHFFFAOYSA-N	406.408	3.987	10	20	HHCD	
C[C@@H](NCCCN1CCN(c2ccncc2)CC1)c1cc(Cl)c(Cl)cc1O	774160052	YSNANNLCXVEMFC-OAHLLOKOSA-N	409.361	3.957	10	20	HHCD	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnc4c(cnn4C)c3)n2)c(C)c1	1116683600	PNCLDSKDJXSXPK-UHFFFAOYSA-N	413.528	3.818	10	20	HHCD	
C[C@H](Nc1ccc(N2CCOCC2)cn1)c1ccc(N2CCOCC2)cc1Cl	776805153	CUBVGTYSCVNOFV-INIZCTEOSA-N	402.926	3.581	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	773741160	SQGRREBKYGFYGU-QVKFZJNVSA-N	422.447	3.600	10	20	HHCD	
COC(=O)c1n[nH]c2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc12	772289362	CBROXKWTAPGOOV-UHFFFAOYSA-N	420.425	3.882	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ncccc1C(F)(F)F	770792228	NNPBPPAHALYWNX-AWEZNQCLSA-N	413.827	3.854	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(N(C)C)cc1	773859604	WQNGVLFXJNABKY-HNNXBMFYSA-N	409.486	3.610	10	20	HHCD	
COc1cc(C)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	780383507	YONRPQCJTUPQRG-UHFFFAOYSA-N	408.420	3.789	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1	784107372	SOQFPWSJRWXMSO-UHFFFAOYSA-N	410.474	3.609	10	20	HHCD	
CC1(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCCCC1	780452381	ZODYYZKDIFEQJB-UHFFFAOYSA-N	411.525	3.529	10	20	HHCD	
CC(C)[C@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1	789897398	ILYXKDHLDQGNFT-QHCPKHFHSA-N	407.558	3.800	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2-n2nccc2C)cc1	784650638	MMSBTSNZSDQGHY-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
COc1cc(Br)cc(CNc2cccc(N3CCNC3=O)c2C)c1O	785554842	HBSFQEMJRIDGFU-UHFFFAOYSA-N	406.280	3.613	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2sc(N3CCCC3)nc2s1	793795894	HGJSTORCPWWRJS-LLVKDONJSA-N	403.529	3.730	10	20	HHCD	
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1	795614330	XCNYGKLUSDVYGB-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
O=C1NCCN(Cc2ccc(N3CCCC3)cc2)[C@@H]1c1cccc(Br)c1	1320510312	VLMOASBDXMXRMQ-HXUWFJFHSA-N	414.347	3.722	10	20	HHCD	
O=[N+]([O-])c1ccc(NNC(=S)Nc2cccc(Br)c2)c([N+](=O)[O-])c1	16941737	JRZNZUFBTVXFMN-UHFFFAOYSA-N	412.225	3.579	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](NC(=O)CC(C)C)c3ccccc3)CC2)cc1	110562141	XHAYNKYDUVNVIY-XMMPIXPASA-N	423.557	3.638	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S	206109308	PGRBAEXONUWPGG-QPEQYQDCSA-N	406.466	3.609	10	20	HHCD	
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCOc2cc(N(C)C)ccc21	543849138	MLDZNSMVSYIDOG-UHFFFAOYSA-N	408.502	3.728	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1	726562924	QDEWSILKEKOZND-OAQYLSRUSA-N	407.558	3.692	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1	728949412	QUXBKYQZSYEQRX-HNNXBMFYSA-N	402.466	3.649	10	20	HHCD	
CCN(CC(=O)N[C@H](c1ccccc1)c1nccs1)c1ccc(OC)c(OC)c1	731030757	KNHALPXDHZXUAO-OAQYLSRUSA-N	411.527	3.892	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)NC(=O)c2ccco2)cc1	732114791	LQAQSNIIDRUABL-KRWDZBQOSA-N	421.497	3.706	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CCc2ccc(OCC(F)(F)F)c(OC)c2)c1	734017758	XGASRZPUZMQUJG-UHFFFAOYSA-N	413.392	3.600	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c1	734060381	VDODCRRWUALJHD-UHFFFAOYSA-N	404.316	3.925	10	20	HHCD	
COc1ccccc1NC(=O)C1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1	734687547	HXPRZGHRWVXWSE-UHFFFAOYSA-N	424.545	3.630	10	20	HHCD	
CCOc1cc(CCCNC(=O)NCc2ccc3c(c2)CCCN3C)ccc1OC	736405212	DZMWHDKJPVHGOY-UHFFFAOYSA-N	411.546	3.908	10	20	HHCD	
CC1(C)[C@H]2CN(C(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)C[C@H]21	741978313	DDDKDAOTYRKWME-UKUONOBPSA-N	406.598	3.844	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnc(O)c(Br)c1	742041038	IRLMOCVLEDFIGW-UHFFFAOYSA-N	404.308	3.812	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CS[C@@H](C)c3ccccc3OC)CC2)cc1	742455458	NPDDUSLYNNPEBF-KRWDZBQOSA-N	400.544	3.847	10	20	HHCD	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801724	SEXLOBWBVVGCEE-CJNGLKHVSA-N	406.477	3.527	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)NCc3c(O)ccc4c3CCCC4)cc2)CC1	743080687	YREOPEZETJSTPO-UHFFFAOYSA-N	408.546	3.735	10	20	HHCD	
Cc1csc([C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)n1	743565347	VWNPQLMGGQVDOG-BEFAXECRSA-N	400.548	3.800	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1	743914527	UUGBIJPYDLLYCC-UHFFFAOYSA-N	404.470	3.503	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cn(Cc3cccs3)nn2)c(C)n1-c1ccccc1	745562420	VDRHDBRUSTYVDY-UHFFFAOYSA-N	420.494	3.835	10	20	HHCD	
CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)s1	751355956	JAKSMLHJSXVNNL-AWEZNQCLSA-N	422.572	3.784	10	20	HHCD	
O=C1CCCc2cc(S(=O)(=O)N(Cc3ccccc3O)C3CCCC3)ccc2N1	751356570	SDWAKDBLRQGHKU-UHFFFAOYSA-N	414.527	3.801	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NCc2ccc(N3CCCC3)cc2)C1	751601550	IBGZPBIJYDYUEA-HSZRJFAPSA-N	401.551	3.940	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(CC2CCC2)CC(F)(F)F)c1	751952946	BPCFBGQXWBKZDW-UHFFFAOYSA-N	414.468	3.591	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCO[C@@H](c2ccco2)C1	753929090	AOAOECMPPKRGFO-LJQANCHMSA-N	421.444	3.633	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(N2CCOC2=O)c1	754540016	ZUUPIRXPOWLHQK-UHFFFAOYSA-N	412.401	3.671	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1-n1cncn1	754547725	IPECMYZMJQDSQK-UHFFFAOYSA-N	408.417	3.603	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1	754786936	VTFDPCMWFMFZKF-IBGZPJMESA-N	424.501	3.731	10	20	HHCD	
C[C@@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1ccc(Br)cc1O	756344911	UNQVUEGXNGNQJE-RHSMWYFYSA-N	424.408	3.856	10	20	HHCD	
C[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1O	756354846	JFEZAZBTWJFEDE-XJKSGUPXSA-N	411.365	3.940	10	20	HHCD	
C[C@@H](NCCc1cccc(C(=O)N(C)C)c1)c1cc(Br)cc(F)c1O	756597728	ONBTXESRRBYXJF-GFCCVEGCSA-N	409.299	3.889	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(N2CCC(C)CC2)c1	757557495	SDXJOIQWNPYEDA-UHFFFAOYSA-N	406.479	3.649	10	20	HHCD	
COc1ccc(N(C)CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1F	757857397	PDBAOADPUIZDJN-JOCHJYFZSA-N	402.466	3.555	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccnc(OCC(F)F)c2)cc1	759861423	KHGYMIYUTLYYPH-UHFFFAOYSA-N	417.378	3.996	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1	761968430	UWSTYLYVPDAYLJ-YBTHPKLGSA-N	418.902	3.860	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1NCc1ccc2c(c1)CCO2	762742759	AGHBMYCEHWHDOX-VAMGGRTRSA-N	402.535	3.516	10	20	HHCD	
CCc1cc(Br)ccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	764250924	AQMHAXRVRNQFNB-UHFFFAOYSA-N	418.335	3.675	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@@H]2C(=O)OCc2ccccc2)c1O	768237331	OUYOXPRECZBEGX-QGZVFWFLSA-N	420.303	3.871	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)c1	768292219	HLFCEFYGDHFZDN-UHFFFAOYSA-N	406.523	3.882	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c3)c2C)c1	768458317	RPOJZNMJJLCUQP-UHFFFAOYSA-N	424.413	3.572	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@H](c2c(F)cccc2F)C1	768924443	UAYNFOUAFMNPKH-INIZCTEOSA-N	419.447	3.640	10	20	HHCD	
CN1CCC2(CCCN2C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	768948859	FRNPMERAUGLCRR-QGZVFWFLSA-N	422.520	3.527	10	20	HHCD	
C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(N2CCOCC2)cc1	769146371	FWFWBCIHPLGIGE-QFBILLFUSA-N	419.566	3.640	10	20	HHCD	
O=C1CCCCN1CC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	769458239	ZLHUKYPXNOXDCD-UHFFFAOYSA-N	414.550	3.810	10	20	HHCD	
CCOc1c(OC)cc(CN2CCN(c3ccc(OC)c(F)c3)CC2)cc1OC	770306977	QDBMYPGQGRURLX-UHFFFAOYSA-N	404.482	3.572	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21	774635788	RTRCAHGJTRHMPT-UHFFFAOYSA-N	415.881	3.524	10	20	HHCD	
COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1OCc1ccncc1	774914438	KMQIJZGOXKPXQJ-UHFFFAOYSA-N	411.414	3.904	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccccc2COc2ccccc2)c1	775372741	HUONXNABAKJTSM-SFHVURJKSA-N	420.509	3.947	10	20	HHCD	
CC(C)OC(=O)[C@@H](C)N(C)Cc1cc(Br)cc(Br)c1O	775726574	UENBHGBXUDPCLD-SECBINFHSA-N	409.118	3.689	10	20	HHCD	
COc1cc(O)c(CN[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1OC	776154655	WSCXCQCAZBUYTB-INIZCTEOSA-N	413.518	3.517	10	20	HHCD	
CCOC(=O)c1cnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1C	777983308	RBMUBAUMQKBHLR-AWEZNQCLSA-N	406.433	3.644	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@]4(C3)C(=O)Nc3ccccc34)c2C)cc1	779192118	JWYNKQGONNNXLR-VWLOTQADSA-N	415.493	3.839	10	20	HHCD	
COC(=O)c1occc1CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)c1ccccn1	779510693	MFZYBZHHSKTYHC-VIHMKRCTSA-N	422.437	3.676	10	20	HHCD	
CC(C)[C@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	781793665	CKGZTHVOQBTCKM-AWEZNQCLSA-N	408.545	3.763	10	20	HHCD	
CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2CCNC(=O)OC(C)(C)C)cc1	781864565	NQTIIICGSBZKHC-HXUWFJFHSA-N	410.518	3.844	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)c3ccc(S(C)(=O)=O)cc3)sc2n1	782482152	KRKPUMIDWXCHLB-LBPRGKRZSA-N	404.513	3.817	10	20	HHCD	
C[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(C(F)(F)F)c1O	788751595	RKQOPYSYEGERDK-ZDUSSCGKSA-N	414.449	3.802	10	20	HHCD	
CN(C)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C(F)(F)F)c1	792827364	CUVYGULHMUMDAO-AWEZNQCLSA-N	409.412	3.761	10	20	HHCD	
C[C@]1(C(=O)NCCCSc2nccs2)CCN(C(=O)OCc2ccccc2)C1	793499073	SQFWTECXBXODJT-FQEVSTJZSA-N	419.572	3.790	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1NCc1ccc(N2CCCC2)cc1	796696025	ROSUVSAIJGAQKQ-IOMROCGXSA-N	403.567	3.695	10	20	HHCD	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2O)[C@@H](c2cccc(F)c2)C1	800646290	TUBYIVDMXSEQHN-QGZVFWFLSA-N	416.449	3.671	10	20	HHCD	
CCC(CC)(CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)SC	805026369	LBAZQQYFNMBOMU-UHFFFAOYSA-N	405.608	3.577	10	20	HHCD	
Brc1c(CNCc2ccc(N3CCSCC3)cc2)nc2ccccn12	809606937	JYJVZVKLRVTAPN-UHFFFAOYSA-N	417.376	3.940	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1O	809754822	DWBFQDOFKMSMEG-OAHLLOKOSA-N	401.246	3.829	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(CCCc2cccs2)n1C[C@H]1CCOC1	812391219	UMPJQHNXKLHZLL-QGZVFWFLSA-N	412.559	3.893	10	20	HHCD	
CCCN(CC)C[C@H](C)NC(=O)N(CC)Cc1cc(Br)ccc1O	812702235	RDIHOHUVHHQDJE-AWEZNQCLSA-N	400.361	3.807	10	20	HHCD	
Cc1cc(CN[C@H](C)c2cc(Br)c(F)cc2O)nc(N2CCCC2)n1	813885359	NKRKUIUOENBODX-GFCCVEGCSA-N	409.303	3.843	10	20	HHCD	
COC(=O)c1cc2c(/C=C3\SC(=S)N(C4CCC4)C3=O)ccc(OC)c2o1	814186127	VUJKUTJHWPVXOM-NVNXTCNLSA-N	403.481	3.982	10	20	HHCD	
C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)C1=O	815156154	VZYJYHOACOJKKT-YVEFUNNKSA-N	421.856	3.935	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1O	817658179	WYVFMMTYNCHWIV-SJORKVTESA-N	418.534	3.906	10	20	HHCD	
CCOC(=O)[C@H](C(=O)CSc1ncc(-c2ccccc2)n1C)c1nc(C)cs1	913229439	ZPRSPHHUQXQDJH-QGZVFWFLSA-N	415.540	3.860	10	20	HHCD	
Cc1ccc(C)n1-c1nc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1	916138503	LEJNGNFRZNLGRT-UHFFFAOYSA-N	424.570	3.588	10	20	HHCD	
COCCn1c(C)cc(/C=C2\NC(=S)N(c3ccc(Cl)cc3C)C2=O)c1C	917097069	VNWCKRMOSGPFTO-BOPFTXTBSA-N	403.935	3.975	10	20	HHCD	
CN(CCOc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918218072	QWPJALGOUFORLU-UHFFFAOYSA-N	421.900	3.536	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(C2SCCS2)c1	918305889	NPRDQECZRUOBGP-UHFFFAOYSA-N	415.584	3.828	10	20	HHCD	
CC(C)CS(=O)(=O)CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	919332966	AHIGGUXHKXQSHR-UHFFFAOYSA-N	417.487	3.655	10	20	HHCD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1	919969723	XLBUDDULOOGZEM-DNVCBOLYSA-N	400.494	3.752	10	20	HHCD	
OC[C@@H](CNCc1ccc(N2CCCC2)cc1)Cc1ccc(Br)cc1	1116764150	AMKUWEBBXTYCSH-LJQANCHMSA-N	403.364	3.990	10	20	HHCD	
C[C@H](NC(=O)NCCNC(=O)c1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1	1320506112	HALNFHQVLDUSMO-AWEZNQCLSA-N	422.451	3.562	10	20	HHCD	
CCn1nc(C(C)C)cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1322738864	NJTSUICOXJPDAQ-KRWDZBQOSA-N	404.942	3.780	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(C)n1-c1ccc(F)cc1	22529118	UDECZZANJMZBMR-HNNXBMFYSA-N	423.444	3.516	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1-c1cccc(F)c1	58104518	JFLULEUGADVHNV-UHFFFAOYSA-N	420.400	3.734	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-n3cccn3)cc2)cc1	69694034	UQRZRGIJRVNBQE-QHCPKHFHSA-N	404.514	3.760	10	20	HHCD	
CNC(=O)C1(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CCCC1	116595788	ZUXYKLJYFCWZOK-UHFFFAOYSA-N	418.335	3.645	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1	170551174	OMBYVEKBRXVCMK-UHFFFAOYSA-N	401.513	3.555	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccccc1OCC1CC1	303815937	LWUIHQQCHQYZCH-UHFFFAOYSA-N	423.557	3.684	10	20	HHCD	
COc1ccc(CCNC(=O)NCc2c(C)c3ccccc3n2C)c(OC)c1OC	471823354	QLPZQBFYWUYJFZ-UHFFFAOYSA-N	411.502	3.554	10	20	HHCD	
C[C@@H]1CN(c2ccccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)C[C@@H](C)O1	542014895	LJSWJSHIDISBCH-IAGOWNOFSA-N	410.518	3.797	10	20	HHCD	
COc1ccc(COCc2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cc1	547093401	DCGXEONFNINBGR-UHFFFAOYSA-N	421.478	3.678	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1Br	725877558	YNCLVOVCKWZIMI-UHFFFAOYSA-N	410.287	3.662	10	20	HHCD	
C[C@H](c1cccc(NC(=S)NCCCN(C)c2ccccc2)c1)N1CCOCC1	729163397	LXULJUALLABOGK-LJQANCHMSA-N	412.603	3.893	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCc4cc(C)ccc43)cc2F)CC1	730122408	MPIVWQCJCQZTKU-QFIPXVFZSA-N	410.537	3.763	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4c(C)cccc43)cc2F)CC1	730127056	YYFPEOLOHABYFL-JOCHJYFZSA-N	410.537	3.763	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1F	731364620	UMQNYMVBFSSZBE-UHFFFAOYSA-N	401.482	3.785	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2c(nc1O)CCCC2	731577923	BAGUWIWGBNEKEW-UHFFFAOYSA-N	417.456	3.666	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)N1CCO[C@H](c2ccc(F)cc2)C1	732204639	PXNCZYOQHAVTRD-QHCPKHFHSA-N	412.505	3.876	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)cc1	732268289	GJPJYNDTZCWMJY-UHFFFAOYSA-N	418.453	3.532	10	20	HHCD	
Cc1ccc(Br)cc1S(=O)(=O)NCCCSc1nccs1	733899608	KNGBEQUWWABZAP-UHFFFAOYSA-N	407.380	3.675	10	20	HHCD	
O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1C(C1CC1)C1CC1	734880842	UFPTZXXPJOBEQD-AQTBWJFISA-N	400.569	3.913	10	20	HHCD	
O=C(c1cccc(Oc2cnccn2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	736675058	XQTKFOKPXPOTDW-FQEVSTJZSA-N	405.454	3.796	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-n3cccc3)c2)cc1F	737189352	AUBWDNOXORKISV-UHFFFAOYSA-N	408.477	3.718	10	20	HHCD	
CCS(=O)(=O)NCc1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1	741694040	KSOUWLMMWAFWPA-UHFFFAOYSA-N	415.559	3.759	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(OCc2ccccc2)ccn1	742556058	CPKDJOABUTURKY-UHFFFAOYSA-N	421.472	3.566	10	20	HHCD	
C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)n1cnc2ccccc21	742798949	DSASXDODMSGFIX-JKSUJKDBSA-N	414.456	3.984	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1C[C@@]12CCCc1ccccc12	745721131	KMQYGHFCGNHRNB-RCZVLFRGSA-N	406.526	3.548	10	20	HHCD	
C[C@@H](NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)c1ccc(N2CCOCC2)cc1	746169204	UMPLWVIEOLGWGO-VFNWGFHPSA-N	419.928	3.796	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCN(c3ncnc4ccsc34)CC2)c1O	750048507	JWKAHMHDCKFSMZ-UHFFFAOYSA-N	402.907	3.575	10	20	HHCD	
C[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1cc(Br)cc(F)c1O	756382226	AMVZOYXDZIBGEQ-JTQLQIEISA-N	417.300	3.516	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	756424734	VAPJLZKHUQKLPM-XHSDSOJGSA-N	416.493	3.782	10	20	HHCD	
C[C@H](N[C@@H](CO)C[C@H](O)c1ccccc1)c1cc(Br)cc(Cl)c1O	756771318	VDVFVIDGCNVPEN-KHIZAZIESA-N	414.727	3.943	10	20	HHCD	
COc1cc(N2CCN(c3nnc(-c4ccccc4)s3)CC2)cc(OC)c1OC	758937939	ZRWOSNIDZIGYCX-UHFFFAOYSA-N	412.515	3.558	10	20	HHCD	
COc1ccccc1COc1cccc(NC(=O)C(=O)NCc2ccccc2O)c1C	758993607	REROBWLWKQCSJP-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C3=Cc4cc(F)ccc4OC3)cc2F)C[C@@H](C)O1	761358439	HBAOLSNKHITLCL-GASCZTMLSA-N	414.452	3.671	10	20	HHCD	
C[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(N2CCOCC2)cc1	765328748	HGABKUCHBBYTRG-SFHVURJKSA-N	410.518	3.751	10	20	HHCD	
O=C(CCc1cncc2ccccc12)NCc1ccc(N2CCC(O)CC2)c(F)c1	765561920	ALAFIGBJLNXLKJ-UHFFFAOYSA-N	407.489	3.584	10	20	HHCD	
O=C(CSc1ccc(C(F)(F)F)cn1)NCc1cccc(Br)c1O	765757645	SHXYWWIEICWPFZ-UHFFFAOYSA-N	421.238	3.977	10	20	HHCD	
CCCNC(=O)Nc1ccc(CC(=O)NCc2cccc(Br)c2O)cc1	765770255	NMGIEPQWDHQMDP-UHFFFAOYSA-N	420.307	3.545	10	20	HHCD	
C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc2ccccc2c1O	765823087	ROBNHQOUXZSJRZ-WZONZLPQSA-N	404.510	3.666	10	20	HHCD	
C[C@H](N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	766137554	LBHPIFGKXCGCBH-HNAYVOBHSA-N	407.530	3.616	10	20	HHCD	
CCN(Cc1cc(-c2cnn(C)c2C)no1)Cc1cc(Br)ccc1O	767325248	REPBBBXXYSINQD-UHFFFAOYSA-N	405.296	3.874	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@@H](C)N(C)C[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	768771762	LHPBBQOHGMTCHE-HZPDHXFCSA-N	405.489	3.903	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)cc1F	769002309	SQTAUYIOBLIIEK-UHFFFAOYSA-N	422.386	3.813	10	20	HHCD	
O=C(CCc1ccccc1)N1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769134543	MVDDZBKPSOKXHV-UHFFFAOYSA-N	417.893	3.621	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	769450111	AAAGWZVTNQWUKS-MRXNPFEDSA-N	419.865	3.874	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1O	770663416	CEXRCRJQBNFOTL-UHFFFAOYSA-N	424.310	3.872	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](O)Cc1ccccc1Cl	773193632	LNNIAPAGJAJFDA-DNVCBOLYSA-N	424.875	3.630	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1	773697954	XMLCSVZLWSHQTG-INIZCTEOSA-N	406.452	3.850	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1	773748222	IBJZUDPUMCOVPJ-JTQLQIEISA-N	407.348	3.528	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1	773752330	ZGZYWAGGKSQDBO-LBPRGKRZSA-N	404.438	3.945	10	20	HHCD	
CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O	775365541	WBKJPVWUTWBEBY-QWHCGFSZSA-N	420.531	3.879	10	20	HHCD	
COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1cc(OC)c(OC)cc1O	775746929	IEVGTSPVZKMSLV-GOSISDBHSA-N	424.291	3.518	10	20	HHCD	
C[C@@H](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1	775833782	MBZQLUQNBWYGJF-DYESRHJHSA-N	409.530	3.538	10	20	HHCD	
CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)/C=C/c1ccc(O)c(O)c1	775942897	NPKNVFYJOCHWFA-RPAADVPWSA-N	405.450	3.555	10	20	HHCD	
Cc1cccc(CNCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)c1O	776175310	OUWCRGRAFVLRNT-UHFFFAOYSA-N	412.349	3.805	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C\c1ccc(O)c(O)c1	779476219	YTZXQCJSTZNZRK-NTMALXAHSA-N	408.376	3.617	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(C(=O)OCc2ccccc2)c1	779514741	QVWROEQVZQWBPY-ZRDIBKRKSA-N	403.434	3.784	10	20	HHCD	
CCSCc1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1	786255230	MACWDPDTUQGTEP-UHFFFAOYSA-N	411.571	3.538	10	20	HHCD	
COC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1	786797061	QVUDPBURBFYWJV-NQIIRXRSSA-N	401.938	3.519	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(Br)cc1	803200988	ISXMMFWHPAJQJF-KBPBESRZSA-N	418.335	3.570	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1	804542737	NEGQKMLYPBGJGB-VWNXMTODSA-N	417.553	3.597	10	20	HHCD	
CN(CCCNC(=S)Nc1ccc(F)c(N2CCCNC2=O)c1)c1ccccc1	806597072	HGRKCOKFOLACDK-UHFFFAOYSA-N	415.538	3.558	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)cc1F	806772366	PLDQFGWDLSVUSY-SFHVURJKSA-N	405.436	3.661	10	20	HHCD	
Cc1ccc(-c2csc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)n2)s1	806846152	DYVZLINPMXXHQL-UHFFFAOYSA-N	414.556	3.843	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2nc3c(s2)CSCC3)C2CCCCC2)cc1	807006294	LWRBVEVDKIQUHO-UHFFFAOYSA-N	416.572	3.819	10	20	HHCD	
CN(CCC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)OCc1ccccc1	807839832	RQBOAHHCYAHBHZ-UHFFFAOYSA-N	411.285	3.974	10	20	HHCD	
CCCNc1ccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	807845789	ZBOQJVYRMJQTGM-UHFFFAOYSA-N	410.562	3.628	10	20	HHCD	
COC(=O)c1ccc(CNCc2cc(Cl)cc(OC)c2O)c(Br)c1	809753446	KDOAVYZLQZPGHM-UHFFFAOYSA-N	414.683	3.893	10	20	HHCD	
Cc1cc(C(=O)CSCc2nnn(CC(F)(F)F)n2)c(C)n1-c1ccccc1	811807850	LTUVSDVHIRSUSH-UHFFFAOYSA-N	409.437	3.759	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)[C@@H]3OCCc4sccc43)CC2)cc1	814108983	ZTGLZTZHDHGOSS-VFNWGFHPSA-N	400.544	3.792	10	20	HHCD	
O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2	824026311	NQVSZUYDNBTZIY-OGBQYHEPSA-N	400.504	3.796	10	20	HHCD	
CON(C)S(=O)(=O)c1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1	863994026	UZVJHEIJWIUCLH-UHFFFAOYSA-N	417.453	3.565	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)n1-c1ccccn1	915816801	CIPUBDUSUDNZNZ-UHFFFAOYSA-N	424.309	3.915	10	20	HHCD	
COC(=O)N(C)CC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC(C)C	915844595	NCCKMKQXRMAUEQ-UHFFFAOYSA-N	404.488	3.925	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1	916505031	MAYQYWBEOICHIJ-UHFFFAOYSA-N	406.530	3.566	10	20	HHCD	
CCNC(=O)c1ccc(C)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	916680027	CQFLTQYBXDLNSA-IBGZPJMESA-N	411.502	3.663	10	20	HHCD	
CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)c1	916712526	PWBZMLRJLFKYKE-IBGZPJMESA-N	411.502	3.663	10	20	HHCD	
COC[C@@H](C)n1c(C)cc(C(=O)CN2CCCN(c3ccc(OC)cc3)CC2)c1C	917210489	PNXVTNLVKLZWJF-LJQANCHMSA-N	413.562	3.716	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccccc3Cl)cc2F)C[C@@H](C)O1	917917838	JDSKZRHUXVGYOZ-ZIAGYGMSSA-N	412.914	3.571	10	20	HHCD	
CNC(=O)[C@H]1CCCCN1C(=O)c1cc(C)n(-c2ccccc2Br)c1C	918082810	HHQHBZXKHCTNET-GOSISDBHSA-N	418.335	3.597	10	20	HHCD	
COc1ccc([C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C2CC2)cc1	918201887	USDIRWVQZIFDLO-XMMPIXPASA-N	423.557	3.854	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)n2nc(C)cc2n1	919529373	OMNIFMNNLBBLKY-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(N2CCOCC2)cc1	920872248	JIOARYAEKHRNHN-INIZCTEOSA-N	408.502	3.754	10	20	HHCD	
CN1CCN(c2ccc(CNCCOc3ccccc3C(F)(F)F)cc2F)CC1	1318371715	KUCQUTPLGUZTOP-UHFFFAOYSA-N	411.443	3.765	10	20	HHCD	
CCOc1cccc2c1OCC(C(=O)N1CCCN(c3ccc(OC)cc3)CC1)=C2	108431020	SRGNGILTHNOVHQ-UHFFFAOYSA-N	408.498	3.609	10	20	HHCD	
CCOc1cccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	108443406	FTFGJNKJHYZQEK-CALCHBBNSA-N	415.509	3.837	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(OC(F)F)cc1	302833241	MNLWLWHXIAKSHG-SFHVURJKSA-N	406.429	3.613	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCn3ccc4ccccc43)cc2F)CC1	303351095	YIUJBMJQFBSGEL-UHFFFAOYSA-N	408.521	3.629	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3cccc(Cl)c3OC(C)C)CC2)cc1	303737715	XVYDXQLHHCRYFN-UHFFFAOYSA-N	417.937	3.897	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCOc2cc(N(C)C)ccc21	437027667	UJBGYXKSDBKGCF-GFCCVEGCSA-N	422.312	3.603	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)n(C)c2ccccc12	472234731	SLTJPDBDKXLOPJ-UHFFFAOYSA-N	410.562	3.857	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3nn(C)c4ccccc34)ccc21	475665337	VOUJMSAPGBRPCG-UHFFFAOYSA-N	404.514	3.764	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)CCCCN1C(=O)c1ccccc1	475933923	QDLPECXEGNVEAS-XMMPIXPASA-N	407.514	3.563	10	20	HHCD	
C[C@@H](NCc1cccc(Br)c1O)C(=O)Nc1cccc(N2CCCC2)c1	725851509	LRIXDDJVDLLDSB-CQSZACIVSA-N	418.335	3.872	10	20	HHCD	
O=C(CSCc1ccncc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566949	HWCXEIHNMZJZOR-UHFFFAOYSA-N	407.486	3.701	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](c1ccccc1)c1nccs1	728950175	ZCYLFHPDCRICHI-FQEVSTJZSA-N	408.527	3.569	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1O	729859899	ZHZZLGNNHJKWHP-INIZCTEOSA-N	423.296	3.629	10	20	HHCD	
Cc1csc(N2CCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)n1	731048809	QTFMKDJNLKPOLW-UHFFFAOYSA-N	413.591	3.720	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1	731284246	NOERMHSSKIVESE-IBGZPJMESA-N	411.546	3.735	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1F	731364236	IZZRYDGYJLKJHM-UHFFFAOYSA-N	412.509	3.798	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1	733038429	OHYJIHJGWHJCEI-LJQANCHMSA-N	402.583	3.617	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C	735863371	KKNZQFMGEKXMDP-UHFFFAOYSA-N	411.502	3.617	10	20	HHCD	
COc1ccc(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC(F)F	740913433	XMICSXYXTWCOSA-UHFFFAOYSA-N	417.456	3.715	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ncccn2)c(C)n1-c1ccc(OC(F)(F)F)cc1	741036484	OLAPGVKMAYJVGL-UHFFFAOYSA-N	419.359	3.822	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(-c2cccnc2)no1	741084126	HXCGLOPIGZENTG-FQEVSTJZSA-N	418.501	3.704	10	20	HHCD	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	741736237	OVUUAGRXFCWLEH-QGZVFWFLSA-N	401.938	3.944	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)O[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1	744885187	QMXLBOWZEIIIQO-GOSISDBHSA-N	408.502	3.937	10	20	HHCD	
COC[C@@](C)(O)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	745318938	PSKPJOOIMUEXPV-LJQANCHMSA-N	414.285	3.524	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOc2ccccc2C1	745906209	YNGBWAYSMUSXPD-QGZVFWFLSA-N	417.456	3.861	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(COc3ccccc3)c2)cc1F	747012514	ZGJQPZKRNZSEQS-UHFFFAOYSA-N	421.472	3.726	10	20	HHCD	
CCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	747458470	PYTBQENUWDRXAY-UHFFFAOYSA-N	403.548	3.700	10	20	HHCD	
COc1cccc(-c2nc(COC(=O)c3ccc(C)c(O)c3O)cs2)c1OC	750620211	WOYCHAVQLKOXLO-UHFFFAOYSA-N	401.440	3.904	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC3CCN(CCC(C)C)CC3)CC2)cc1	751091600	QMBNMJLZPCBHMX-UHFFFAOYSA-N	416.610	3.721	10	20	HHCD	
COc1ccc(N2CCN(Cc3nnc(-c4cccc(Cl)c4)o3)CC2)cc1F	753857142	LRXPFFFKLWWRRP-UHFFFAOYSA-N	402.857	3.860	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc([N+](=O)[O-])n2C)cc1	756261268	HJCRAHVEOIZQKT-UHFFFAOYSA-N	408.458	3.855	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Br)ccc1O	756425618	ZNXJSCBSNZQYEW-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
Cc1ccc([C@H](C)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)c(O)c1C	756462908	BICSAXGNKQBYQB-AZUAARDMSA-N	412.530	3.534	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(N[C@@H](C)c2cc(F)cc(F)c2O)CC1	756511972	TXAJSZSOKHNBAH-AWEZNQCLSA-N	404.457	3.563	10	20	HHCD	
CN(C)CCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCC1	758740212	LYVBJCRDSQUNEP-UHFFFAOYSA-N	424.536	3.773	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1scnc1C1CCCC1	759756935	ZQPVERAQKPZGMS-UHFFFAOYSA-N	401.532	3.682	10	20	HHCD	
CC[C@H](C)Oc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccn1	761855917	VGDMNUZMFGUJKY-ZDUSSCGKSA-N	403.866	3.582	10	20	HHCD	
C[C@@H](NC(=O)NCc1csc(-c2ccco2)n1)c1ccc(N2CCOCC2)cc1	763594647	KIENXQIHZJFEPO-OAHLLOKOSA-N	412.515	3.800	10	20	HHCD	
O=C(NCc1ccc(Br)cc1)NCc1cccc(Br)c1O	764778906	KFAPOTVKNDEWEP-UHFFFAOYSA-N	414.097	3.917	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC3CCN(Cc4ccccn4)CC3)cc2F)C[C@@H](C)O1	765117540	HMTSMDJZNOZJEA-RTBURBONSA-N	412.553	3.589	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1OC(F)F	765251725	HNINPOZZGOSBHM-RDJZCZTQSA-N	403.473	3.841	10	20	HHCD	
COc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1[N+](=O)[O-]	766762063	UXVRPJZDFRAQIS-ZDUSSCGKSA-N	421.400	3.604	10	20	HHCD	
CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	767616450	NDDMOBASXQKEJS-GFCCVEGCSA-N	412.868	3.636	10	20	HHCD	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)ccc21	767671881	PFMLALFCFPAGGJ-UHFFFAOYSA-N	419.459	3.678	10	20	HHCD	
CC(C)N1CCN(c2cccc(NS(=O)(=O)c3cccc4cnccc34)c2)CC1	768016468	MGERDZCJEGGFFE-UHFFFAOYSA-N	410.543	3.566	10	20	HHCD	
O=C(c1ccc(F)cc1)N1CCCN(Cc2cccc(Br)c2O)CC1	768253219	WHPOVVDKUXDERW-UHFFFAOYSA-N	407.283	3.642	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1	769765037	ILCRTSFOTQUFEW-UHFFFAOYSA-N	424.469	3.627	10	20	HHCD	
C[C@@H]1C[C@H](CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1	770846896	CLPIFCYFZNRSKD-JKSCSLPYSA-N	424.613	3.661	10	20	HHCD	
CCc1nn(C)cc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	774016181	VTFXURRCKKLBQC-GDNBJRDFSA-N	420.585	3.664	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1O	774927153	LMGXMNDRJSEAOK-STQMWFEESA-N	405.426	3.674	10	20	HHCD	
COc1cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc1C	774976047	GGLXPXPXXUTYTH-UHFFFAOYSA-N	421.520	3.549	10	20	HHCD	
C[C@@H](NC[C@H](O)c1ccc(F)c(Br)c1)c1ccc(N2CCOCC2)cc1	775649255	JTQIUCSEAVOTQN-VLIAUNLRSA-N	423.326	3.809	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)nn1-c1ccc(F)cc1	777308131	BFQIYNOTCPTVLP-UHFFFAOYSA-N	410.518	3.803	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@H]3CC=C(c4ccc(F)cc4)CC3)cc2)CC1	779402387	AXCZENQVRDEIPI-QFIPXVFZSA-N	414.546	3.786	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4c(F)cccc4s3)cc2)CC1	786258294	BMXIYIQXNLPCJP-UHFFFAOYSA-N	411.502	3.639	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCN(c4ccccc4)C3)CC2)cc1	789317415	LJIUFKSPMPVAGQ-NRFANRHFSA-N	422.573	3.834	10	20	HHCD	
CCSCc1ccccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	789905153	BBTHQBHZIYBPFL-GOSISDBHSA-N	411.571	3.571	10	20	HHCD	
CC1(C(=O)COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	795418724	DGXDEOHORLTWAJ-JLHYYAGUSA-N	409.554	3.642	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3ccc4c(c3)OCC(=O)N4)cc2F)C[C@@H](C)O1	796695034	NFZQCWQSSOFSFH-OWCLPIDISA-N	413.493	3.621	10	20	HHCD	
COC(=O)Nc1cccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1C	798024978	CIBCUBDPZKLIIP-UHFFFAOYSA-N	412.490	3.972	10	20	HHCD	
CCOCc1cc(CN[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)ccc1OC	798088745	TXFWEYXZISCLIM-VGSWGCGISA-N	405.560	3.804	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@H]3CCC[C@H](c4ncccc4C)C3)CC2)cc1	798927413	SEMUOKFWVMBAIW-VXKWHMMOSA-N	408.590	3.837	10	20	HHCD	
CCOC(=O)COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	800560318	QSWNGDAIIHDOQJ-UHFFFAOYSA-N	411.502	3.891	10	20	HHCD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800571950	QTULVNVOYXIIMY-JXFKEZNVSA-N	420.985	3.775	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCNC(=O)C(C)C	801981512	WNKFSMWQVNZBTB-UHFFFAOYSA-N	408.550	3.581	10	20	HHCD	
CCc1cnccc1[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803677943	VJABLVDBOLIZDI-SFHVURJKSA-N	422.573	3.907	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(F)cc2Cl)cc1F	804851932	SYOOTBYAYPZJMJ-UHFFFAOYSA-N	423.891	3.739	10	20	HHCD	
Cc1nc(N2CCOCC2)ccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806357654	JTMKSENTUBWUHW-UHFFFAOYSA-N	411.289	3.561	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(Br)c1	807513018	PEVIOHPVIOFGGD-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCc1cc(Cl)cc(Cl)c1O	808088808	CAVXBJASHZAMDD-UHFFFAOYSA-N	424.737	3.862	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(F)cc1C	808115824	ULNIFDXYBRPCOP-UHFFFAOYSA-N	405.806	3.610	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)Cc2cnn(C)c2)cc1	857450239	PYXMSWBAPBTOLD-SFHVURJKSA-N	406.530	3.907	10	20	HHCD	
O=C(Nc1ccc(N2CCOC2=O)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	918051894	GHUOAKFKJBZNEJ-IBGZPJMESA-N	411.458	3.562	10	20	HHCD	
Cc1ccc(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1F	918199242	QQAZYXWTTDJKTJ-SXGWCWSVSA-N	407.513	3.943	10	20	HHCD	
COCc1cccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	918212741	XINNBOIEQPDOKC-IRXDYDNUSA-N	415.509	3.585	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1c1ccc(F)cc1	918221300	URIPNDQDOOFITE-NRFANRHFSA-N	415.484	3.973	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCCN3c3ncccn3)c2C)c1	919059058	DDPIVDCXCOELBA-OAQYLSRUSA-N	418.497	3.587	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCOc2ccc(F)cc21	919792044	MTQUBIIFNAJSRY-OAQYLSRUSA-N	413.493	3.718	10	20	HHCD	
COc1cc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc(OC)c1C	919895034	ATBZVJBALHEVBM-UHFFFAOYSA-N	409.530	3.797	10	20	HHCD	
CC[C@H](C)Oc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	920044308	QWEXWBUGCJHDAD-HKUYNNGSSA-N	424.545	3.887	10	20	HHCD	
CCn1c(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)cc2ccccc21	1319876371	CDRLHXGHKUYPHT-UHFFFAOYSA-N	400.862	3.836	10	20	HHCD	
CN(C)c1ccc(CNS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cc1	51134698	ICWPBFNACWQYLX-UHFFFAOYSA-N	408.470	3.761	10	20	HHCD	
C[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1	140962895	VWHZHUTXFDBPBP-VGSWGCGISA-N	413.493	3.506	10	20	HHCD	
O=S(=O)(c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1)N1CCCC1	238028573	XRIKONHTBIULLW-UHFFFAOYSA-N	413.587	3.751	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)NCc2c(C)c3ccccc3n2C)cc1	471223577	SGMUBKVUMTYTRO-UHFFFAOYSA-N	405.527	3.784	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(-c4nncn4C)cc3)ccc21	482779033	HMBXUGPVJZXLKT-UHFFFAOYSA-N	403.486	3.952	10	20	HHCD	
Cc1c(CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)n(C)c2ccccc12	527474687	NFUIYOQVJAPANV-UHFFFAOYSA-N	404.297	3.840	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cc(C)c(C)cc3O)C2)cc1	725785410	YTMNPUADGGUBRH-IBGZPJMESA-N	402.560	3.508	10	20	HHCD	
COc1ccc2c(c1)CCCN(C(=O)NCc1ccc(N3CCSCC3)cc1)C2	728596227	BLGQEJLPQYKHQI-UHFFFAOYSA-N	411.571	3.906	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc(C)c1OC(F)F	730832598	JVZCGYUJBMWYMG-UHFFFAOYSA-N	422.447	3.935	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCCN1CCN(c2cccc(C)c2)CC1	731280989	LNLRNEHAJWWKLJ-UHFFFAOYSA-N	424.589	3.835	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(OCc3noc(C)n3)cc2)cc1F	731347029	IVGZRDGBYODZGZ-UHFFFAOYSA-N	412.465	3.872	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)OC[C@H]2CCCO2)cc1	732114786	LKNHAPFHFFEXLG-FDDCHVKYSA-N	412.530	3.879	10	20	HHCD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	732244379	YBSZSTOALSTIFU-WOJBJXKFSA-N	416.610	3.784	10	20	HHCD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	732469727	OJMOWBMUODMGAS-CTNGQTDRSA-N	417.594	3.983	10	20	HHCD	
O=C(NC1CC1)c1ccc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	733334165	CPRZJPXYJRNSNR-NRFANRHFSA-N	413.949	3.692	10	20	HHCD	
CC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	734066284	QWZWCJFIYLHYRR-OFNKIYASSA-N	420.557	3.607	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1	734687436	ARCGBLMEXPAVSX-QGZVFWFLSA-N	418.582	3.896	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC[C@@H]1C	737054405	NVOHWLYJSFIQDW-OALUTQOASA-N	400.567	3.608	10	20	HHCD	
Cc1nc(O)cc(-c2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cc2)n1	740681051	UJABVAQFZDKTPN-UHFFFAOYSA-N	401.470	3.856	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccccc3)ccc21	742597157	OQIADGCMQGLTJM-NRFANRHFSA-N	423.557	3.994	10	20	HHCD	
CC(C)(C)c1ncc(/C=C/C(=O)N2CCCc3ccc(S(C)(=O)=O)cc32)s1	742610721	GCNFQUIDFUWYRV-CSKARUKUSA-N	404.557	3.837	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F	742801054	XLACKWMWLVIUIX-HNNXBMFYSA-N	421.419	3.784	10	20	HHCD	
CC1(C)[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]2CCCO[C@H]21	743647781	UFNSJDCJSCYSGJ-IPMKNSEASA-N	423.504	3.760	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@H]1CCCO[C@H]1c1ccccc1	747839660	XYUSDZXAPLPABR-RDGATRHJSA-N	409.574	3.811	10	20	HHCD	
CCc1cnc(CN(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	747843730	FCAJTHABRJLPOF-UHFFFAOYSA-N	419.506	3.551	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H]3SCCc4ccccc43)CC2)cc1	749611455	ILFBQRCWHDRKQZ-QFIPXVFZSA-N	411.571	3.948	10	20	HHCD	
CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	750298239	DCSWRZLQSDMRRG-UYAOXDASSA-N	409.571	3.650	10	20	HHCD	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	753004762	IOWWTQKOJAWAJW-QRQLOZEOSA-N	422.520	3.525	10	20	HHCD	
Cc1cc(CCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)s1	753204391	MNUCVKGJWFHQGN-HXUWFJFHSA-N	413.587	3.706	10	20	HHCD	
CCCOc1ccc(CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753847423	RSUMLARXLRMHJK-UHFFFAOYSA-N	401.482	3.655	10	20	HHCD	
Cc1cc(CC(=O)OC[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccc(Cl)cc1	754768171	SOZFGKBUGKVKFV-INIZCTEOSA-N	400.906	3.844	10	20	HHCD	
CCCCCC(C)(C)CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	755198066	FPINKKLLCNRESH-LJQANCHMSA-N	402.583	3.794	10	20	HHCD	
COCCCOc1cc(C)ccc1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O	755240794	LMJCHMNPABOFTL-INIZCTEOSA-N	402.491	3.685	10	20	HHCD	
Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1	755985044	WHJSGIMCGIBIMK-UHFFFAOYSA-N	411.545	3.645	10	20	HHCD	
COc1ccc([C@@H](CN[C@H](C)c2cc(Cl)ccc2O)N2CCOCC2)cc1OC	756363405	OBYQCZRMQFLBHN-DNVCBOLYSA-N	420.937	3.787	10	20	HHCD	
COc1cc(CN[C@@H](C)c2cc(Br)c(F)cc2O)ccc1OCCO	756441319	KHKBVTGOZNFPHC-NSHDSACASA-N	414.271	3.524	10	20	HHCD	
Cc1nc(C)n(-c2ccccc2NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	759968683	AJNUYZGZUGNQCL-LJQANCHMSA-N	421.501	3.803	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	760080043	NOSFKJPPSMTOQI-KRWDZBQOSA-N	411.493	3.603	10	20	HHCD	
Cc1cc(NC(=O)NCc2cccc(Br)c2O)cnc1Br	765342557	MQQNIKDXUAJPOZ-UHFFFAOYSA-N	415.085	3.942	10	20	HHCD	
CCOC(=O)c1[nH]c(C)c(C(=O)N(CC)Cc2cc(Br)ccc2O)c1C	769291961	PPQSXTCJOUHFEL-UHFFFAOYSA-N	423.307	3.939	10	20	HHCD	
O[C@H](c1ccc(F)cc1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	769382236	STSYONBUXSWOBP-HSZRJFAPSA-N	402.485	3.747	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@H]2C)c1	769542574	GWJDFWPZIJYKKW-HBGVWJBISA-N	422.525	3.801	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)Cc3cc(Cl)ccc3F)CC2)cc1	769900215	CDOCZFLJSPGCJE-UHFFFAOYSA-N	412.914	3.576	10	20	HHCD	
COc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ncccc12	771282211	PEGMCOJHQXDLPW-INIZCTEOSA-N	406.486	3.963	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C	772603127	OSNOVCWIRVQSRG-QFBILLFUSA-N	416.566	3.656	10	20	HHCD	
C[C@@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(N(C)C)cc1	773009592	KZJNWKKOLLYQFV-GOSISDBHSA-N	409.530	3.979	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	773630605	UWKAZFMAQDFRFW-KXBFYZLASA-N	414.937	3.962	10	20	HHCD	
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773743256	ABVGQMOEJBUKJW-KDOFPFPSSA-N	418.921	3.643	10	20	HHCD	
C[C@H](NC[C@H](O)c1ccccc1Br)c1ccc(N2CCOCC2)cc1	775259275	QPUQRRZDQAZHNN-YWZLYKJASA-N	405.336	3.670	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccc(N(C)C)cc1	775669378	DFMXVODXRVBTFW-MRXNPFEDSA-N	408.477	3.984	10	20	HHCD	
O=C(NCCc1ccc(CO)cc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	776063482	FBROTOFWQVBNSA-UHFFFAOYSA-N	402.454	3.892	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2nccn3ccnc23)c(C)n1-c1ccc2c(c1)CCC2	777091283	URBXSELXIUUTBL-UHFFFAOYSA-N	414.465	3.665	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCN(c2ccc(Br)cc2)C1	779499770	OICHRZVNCVQNAO-GBVWOXPPSA-N	417.303	3.516	10	20	HHCD	
COc1ccc(C[C@@H](C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC	781293934	ZWTPJWFCDYJIMP-QGZVFWFLSA-N	414.571	3.752	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	781549251	CIHAPSAJNVRSPG-QPEQYQDCSA-N	412.414	3.652	10	20	HHCD	
CC(C)Cn1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cn1	783487631	XNVCNVNBSMXOCZ-KRWDZBQOSA-N	405.502	3.854	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3CCC(NC(=O)C(C)(C)C)CC3)CC2)cc1	788740399	DGOZJIARJCLSNE-UHFFFAOYSA-N	415.578	3.501	10	20	HHCD	
COc1ccc(Cl)c(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1	792288425	WQCFELOFKMKCCM-UHFFFAOYSA-N	406.910	3.697	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H](C)c1ccc(Cl)cc1	792977581	MDHZCEBEUSSVHL-SJORKVTESA-N	406.979	3.857	10	20	HHCD	
C[C@H]1C[C@H](N2CCOCC2)CN1Cc1c(O)ccc2cc(Br)ccc12	795689017	GZQDBBHZBDFKGJ-YOEHRIQHSA-N	405.336	3.603	10	20	HHCD	
CS(=O)(=O)NCc1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1	796331291	DMOSTOWRGHOTMM-UHFFFAOYSA-N	421.566	3.911	10	20	HHCD	
Cc1cc(C(=O)NC2(c3nc[nH]n3)CCC2)c(C)n1-c1ccccc1Br	797757999	MRIHXLNLDSVFTL-UHFFFAOYSA-N	414.307	3.784	10	20	HHCD	
O=[N+]([O-])c1cnc(Sc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)s1	799928349	QUWBIAKEUUYFBN-GFCCVEGCSA-N	407.452	3.779	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c(C)n1-c1cccc(Cl)c1	800648307	ACZDBAKLUXGCTB-IBGZPJMESA-N	415.965	3.932	10	20	HHCD	
CCCCC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C	803299886	BRSVQSGHBDGXOJ-NQIIRXRSSA-N	417.594	3.812	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1F	807672420	ZACBNNULRFXGJF-XOBRGWDASA-N	403.473	3.866	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cc2ccccc2n(C)c1=O	813837500	OFENVOIDVIYRJX-UHFFFAOYSA-N	418.541	3.870	10	20	HHCD	
Cc1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1NS(=O)(=O)C(F)(F)F	857547823	VFWCKZOGXJINFK-UHFFFAOYSA-N	422.812	3.546	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(C(C)=O)cc3)n2)cc1	916088716	DGPLPIHEYVSEQE-UHFFFAOYSA-N	416.480	3.600	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1c1cccs1	918219002	BHISEDAMMHQJKT-IBGZPJMESA-N	403.523	3.895	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1	918228900	QQHNQVUAYVJGRS-HXUWFJFHSA-N	423.561	3.797	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2ccccc2F)cs1	918305449	ICQZZUWCSVNMNV-UHFFFAOYSA-N	412.490	3.612	10	20	HHCD	
CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2C)c1C	919476923	YBCBZXAHPJXDFP-OAQYLSRUSA-N	410.514	3.920	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc4c(nc3O)CCC(C)(C)C4)CC2)cc1	1319345321	AZMHGLSLENJNPC-UHFFFAOYSA-N	409.530	3.663	10	20	HHCD	
CC(C)c1ocnc1COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	1322174694	OKHPHXXAXFZVAA-UHFFFAOYSA-N	422.484	3.723	10	20	HHCD	
Cc1cc2nnc(SCC(=O)NCc3ccc(N(C)C)cc3)n2c2ccccc12	7246834	VBOLMPZPZZHIMS-UHFFFAOYSA-N	405.527	3.665	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC(=O)Nc2cccc3cccnc23)cc1F	303300213	COUAVLRRMGYZQP-UHFFFAOYSA-N	423.492	3.658	10	20	HHCD	
O=C(NC[C@@H]1Cc2ccccc2O1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726612557	CQCHMGYFRLPIQF-IBGZPJMESA-N	417.456	3.560	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1	726709443	VLSMWGQSHDGKED-TZYHBYERSA-N	409.530	3.804	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)C2CC2)cc1	727038674	QNWWRWOAQCZRRS-UHFFFAOYSA-N	422.529	3.599	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1	727242893	PTCMSGYSZDZJIZ-UHFFFAOYSA-N	424.448	3.817	10	20	HHCD	
CN(Cc1cnn(-c2ccccc2)n1)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	728195327	KAIHGENZUDVRFG-UHFFFAOYSA-N	414.465	3.542	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCC(CC(=O)N3CCCC3)CC2)c1O	728195628	JWTQXGZGKJJEJU-UHFFFAOYSA-N	422.525	3.553	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccccc1	728351295	FBXKIUYATGJXQN-UHFFFAOYSA-N	404.466	3.836	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1	728979889	PUUHPKDSKHYZDT-HNNXBMFYSA-N	402.454	3.685	10	20	HHCD	
COc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1OCc1ccncc1	729553260	YSOUEPJGYUFJQD-UHFFFAOYSA-N	409.442	3.705	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	731039000	LZTWYJYEIYYIHJ-UHFFFAOYSA-N	403.504	3.618	10	20	HHCD	
CC(C)COC(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	731049018	WOSDOYACFSLNFJ-UHFFFAOYSA-N	416.566	3.543	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc3c(c2)OCCCO3)cc1F	731363336	DFHSVLAZJVMDGE-UHFFFAOYSA-N	401.482	3.833	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1F	731403479	LRDQLIBCBTWMOW-FQEVSTJZSA-N	414.525	3.691	10	20	HHCD	
Cc1cc(C(=O)NCc2nncn2C2CC2)c(C)n1-c1ccc(Br)cc1	732080546	YFQDRHJOYZDPRA-UHFFFAOYSA-N	414.307	3.713	10	20	HHCD	
Cc1ccc(-c2nnco2)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1	736986592	RJAZOPWJHQVBIS-UHFFFAOYSA-N	409.515	3.920	10	20	HHCD	
COc1ccc(N(CC(=O)NCCc2ccccc2OC)Cc2ccco2)cc1F	739925932	FHBFUSJZVYETGS-UHFFFAOYSA-N	412.461	3.801	10	20	HHCD	
CCOC(=O)c1nnc2ccccc2c1NCc1ccc(N2CCSCC2)cc1	740760124	VFZSPOZGDWNCHQ-UHFFFAOYSA-N	408.527	3.972	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1	742494975	HAPRGRFBCKRWLK-KRWDZBQOSA-N	409.559	3.632	10	20	HHCD	
COc1ccc([C@H](O)CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	742760821	VQHQXZGMIFPRHR-HSZRJFAPSA-N	411.546	3.997	10	20	HHCD	
Cc1ccc([C@@H](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)N(C)C)cc1	743334108	MRYPRHURVNVBJJ-FGZHOGPDSA-N	411.546	3.694	10	20	HHCD	
COc1cccc(O[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	745880762	ALDZDOZKXBQYFY-DYESRHJHSA-N	414.502	3.559	10	20	HHCD	
CC[C@H]1Oc2cc([C@H](C)NC(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2NC1=O	745933141	TVPSXFQIRUGTAS-MGPUTAFESA-N	410.518	3.765	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1	746172854	PSVIONWHXWGFAR-HXUWFJFHSA-N	412.578	3.657	10	20	HHCD	
Cc1ccccc1[C@H](CO)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746769225	GCJJLTGBKSCERB-UZLBHIALSA-N	419.472	3.598	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2F)cc1	751403758	FBBLAKSUXVKGNJ-GOSISDBHSA-N	401.438	3.621	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc(F)c(F)c1	751465549	HYHZWPZHKAWUDU-UHFFFAOYSA-N	406.248	3.644	10	20	HHCD	
C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	752180163	KIQUOFDVTJXHFU-PKOBYXMFSA-N	414.550	3.508	10	20	HHCD	
CC(C)(NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1	752866377	RHSZLPXYQGDODR-UHFFFAOYSA-N	414.531	3.883	10	20	HHCD	
CC(=O)OC1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1	753644385	ISMKXNIBLLXNAW-OAQYLSRUSA-N	420.469	3.761	10	20	HHCD	
Cc1csc([C@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	754159042	KRZQAZGPHRPJCQ-KBMXLJTQSA-N	420.554	3.807	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1	755015635	YTMHPCWSJUQRSY-UHFFFAOYSA-N	409.417	3.853	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC[C@@H]1c1cccc2c1OCCO2	759603074	PYNIIGHZMHQGKY-OAHLLOKOSA-N	405.545	3.943	10	20	HHCD	
COc1cc(Cl)cc(CN(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1O	761202513	FOLNTEFCTJNNBF-CQSZACIVSA-N	402.299	3.668	10	20	HHCD	
Cc1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C(C)C)n1	761979099	FUZFHIUCKDGDSW-QGZVFWFLSA-N	402.926	3.662	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1ccc(C(C)(C)C)cc1	764861247	LGDIJGNGFTYMOA-HSZRJFAPSA-N	412.574	3.692	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc1	764955295	DFYKDEZFZJUCJO-LJQANCHMSA-N	409.313	3.821	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](O)c1ccccc1Cl	765178998	XHOIEOGROBEENC-HNAYVOBHSA-N	409.313	3.513	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(Br)cc2c1OCC2	765568433	ZNCLZZQIWKGCQV-UHFFFAOYSA-N	417.347	3.853	10	20	HHCD	
O=C(N/C(=C/c1cccnc1)C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32)c1ccccc1	768572704	JMZNNBZMNIRDFX-ORTNRGLGSA-N	423.472	3.959	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCc3cccs3)cc2F)C[C@H](C)O1	769712791	LYNFNPNOGQQFHA-HOTGVXAUSA-N	405.539	3.933	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(-c4ccc(C(C)C)cc4)n3)CC2)cc1	771069883	YGWXQPDOUZWPBN-UHFFFAOYSA-N	420.513	3.760	10	20	HHCD	
C[C@H]1CN(c2ccnc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)C[C@@H](C)O1	772376901	KFUNHHLMBLOOAE-HDICACEKSA-N	421.497	3.836	10	20	HHCD	
Cc1cccc(-n2ncc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2C(F)(F)F)c1	773742356	UFNAJEHTADBZHG-ZDUSSCGKSA-N	419.403	3.972	10	20	HHCD	
CC[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1OCC(=O)NC	775127139	AVOIKEOMEITTHB-SFHVURJKSA-N	404.894	3.614	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2c(C)cccc2F)nc1-c1ccccc1	775152102	WGJKCECYFPQWAL-UHFFFAOYSA-N	420.487	3.774	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](n3cncn3)C2)c(C)n1-c1ccccc1Br	777223992	CQZIHZXZOJMSAG-OAHLLOKOSA-N	414.307	3.535	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccc(C(F)(F)F)cc1	777826074	GQJYUMOTERVQFF-UHFFFAOYSA-N	415.795	3.809	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2cccnc2N2CCOCC2)c1O	779003338	NLPGHHKZSGWQFF-CQSZACIVSA-N	406.324	3.546	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1	781041621	KAFKXBHVJWCKKO-MRXNPFEDSA-N	405.502	3.909	10	20	HHCD	
Cc1cc(C(=O)COC(=O)/C=C\c2ccc[nH]2)c(C)n1-c1ccc2c(c1)OCCO2	782331979	WBOSTPYBCAXGHX-YVMONPNESA-N	406.438	3.633	10	20	HHCD	
Cc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782423747	JKIIOHMLQYTKOP-UHFFFAOYSA-N	409.461	3.961	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1	787869795	DDWXCYMZDGLXBH-SFHVURJKSA-N	411.546	3.766	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)sc1Cl	788747792	KTPCNVFTNDVJTD-UHFFFAOYSA-N	410.952	3.822	10	20	HHCD	
CCN1CCN(CCCCNCc2ccc3c(c2)CCN3Cc2ccccc2)CC1	796263066	FPHFKSWIEPDIRI-UHFFFAOYSA-N	406.618	3.757	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)cc1C	796687109	KYEPEXHNCPKRCI-UHFFFAOYSA-N	409.530	3.899	10	20	HHCD	
COc1ccc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)c1OC	796700324	DQUCKSZPIVJYSO-IEBWSBKVSA-N	411.546	3.565	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C(C)(C)c1ccccc1	804121343	XCGKFQXDOOSVIY-SFHVURJKSA-N	420.509	3.997	10	20	HHCD	
CC[C@H](C)N[C@H](CNC(=O)NCc1cccc(Br)c1O)c1ccco1	807443861	VUJXYYSJFRGSLI-SWLSCSKDSA-N	410.312	3.676	10	20	HHCD	
CCS[C@@H]1CCC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)C1	809235521	LDPGZSVGUHZVDD-AZUAARDMSA-N	405.608	3.672	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1	809704359	AQZGBIQELLAIDD-DHLKQENFSA-N	420.557	3.666	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)C3)cc1	814307754	VDDVPDGKBCIANY-UHFFFAOYSA-N	416.566	3.685	10	20	HHCD	
C[C@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1O	815587062	YOIUMIXZOJRKSY-AWEZNQCLSA-N	415.500	3.688	10	20	HHCD	
CN(C)c1cc(F)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1[N+](=O)[O-]	821674341	CFKCZQWXFURXHU-UHFFFAOYSA-N	420.404	3.762	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1	916503203	YNEPZXJVJCJVAQ-FQEVSTJZSA-N	411.521	3.841	10	20	HHCD	
O=C(CCC1CCCC1)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	916587648	RUHZSINFTOBPMT-UHFFFAOYSA-N	412.578	3.611	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)n2)cc1	917906902	MPVPPMWBRGGSLL-UHFFFAOYSA-N	416.480	3.680	10	20	HHCD	
O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918294593	HFYOGQZAOAAUAH-QGZVFWFLSA-N	422.403	3.557	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccnc1Oc1ccccc1	918306177	VCPQJMHMZOKCPG-UHFFFAOYSA-N	404.470	3.537	10	20	HHCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	918373013	VIJIMBNRNCFZCB-UHFFFAOYSA-N	410.474	3.674	10	20	HHCD	
CCOC1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1	918662888	YNLSIAFXKWNGIR-SSZFMOIBSA-N	424.613	3.757	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	920051137	JWOKYRRFJYWPGM-UHFFFAOYSA-N	422.573	3.867	10	20	HHCD	
Cc1cccc(N2N=C(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CCC2=O)c1	1115875184	NWAZFBBMYNCJAC-UHFFFAOYSA-N	406.530	3.981	10	20	HHCD	
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	1178182610	CSSWUHBNZOOVJX-KDUDWEIGSA-N	404.532	3.578	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccccc3COC3CCOCC3)CC2)cc1	1319734366	YJOSIAOLUFRZQP-UHFFFAOYSA-N	424.541	3.743	10	20	HHCD	
COc1cc(Br)c(OC)c(C(=O)NCc2ccc(N(C)C)cc2C)c1	1322903597	ASAOTDHJAXQSLG-UHFFFAOYSA-N	407.308	3.771	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1O)NC1(c2ccc(NC(=O)C3CCC3)cc2)CCC1	1787608493	FGTFXXGCOYWSPY-WUXMJOGZSA-N	422.481	3.751	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C23CC(F)(C2)C3)cc1	1847853060	GOVWPQHYIXHGSL-SKGAXEKPSA-N	421.516	3.802	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1-c1ccccc1	6545794	SHAUDBKXIZGDOC-UHFFFAOYSA-N	402.410	3.595	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCc3sccc3C2)c([N+](=O)[O-])c1Br	14324651	UBLJPSNGNJNBSZ-UHFFFAOYSA-N	414.237	3.898	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cccc1[N+](=O)[O-]	71933464	KNLNVEBXFKJWMB-UHFFFAOYSA-N	423.391	3.689	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-]	301938853	UXXVETLRSJJTJK-UHFFFAOYSA-N	409.533	3.687	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cc(F)ccc2OCC2CC2)n(C)c2ccccc12	472801736	DWSZVUYWKVRTMV-UHFFFAOYSA-N	409.461	3.670	10	20	HHCD	
CC(C)(C)N1CCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	726719471	PDPCCNKTXSKLTB-UHFFFAOYSA-N	424.536	3.773	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H]3C(C)(C)C)cc2F)C[C@@H](C)O1	729474593	JVQXSCBPWNZXNQ-FVJLSDCUSA-N	405.558	3.566	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC(C)C)cc3)cc2)CC1	731131898	UPLVITGFEDKVBK-UHFFFAOYSA-N	409.530	3.965	10	20	HHCD	
CC(C)c1ccccc1OCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	732241426	ISBJDPIHFOCSRE-UHFFFAOYSA-N	415.509	3.664	10	20	HHCD	
CC(C)(C)c1ccc(C(=O)NCCC(=O)NCCCSc2nccs2)cc1	733971722	CRGUSUMQAXDSKK-UHFFFAOYSA-N	405.589	3.859	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@@H]2CCCO2)c(C)n1-c1ccccc1Br	734442970	DFENOIMMBGBFHX-INIZCTEOSA-N	421.335	3.782	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)oc1C	735328970	HGFYALSGQRKKBO-VIZOYTHASA-N	403.437	3.509	10	20	HHCD	
CCOc1ccc(CN[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)c(O)c1	738439749	MGEDTBDZWRGFOD-HSZRJFAPSA-N	404.510	3.808	10	20	HHCD	
CCCOc1ccc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	743314926	RHRAJMSSWDMHQB-UHFFFAOYSA-N	414.521	3.825	10	20	HHCD	
O=S(=O)(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-n2cnnn2)cc1	747410555	WHCINTCYPGYXRY-UHFFFAOYSA-N	405.443	3.879	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1	749627745	DDQUZMBFIRBFMR-UHFFFAOYSA-N	416.953	3.849	10	20	HHCD	
CCc1noc(-c2ccc(C)c(NC(=O)NCc3ccc(N4CCOCC4)cc3)c2)n1	751013687	YTSZRZYIRSYJAL-UHFFFAOYSA-N	421.501	3.766	10	20	HHCD	
COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)c1	753918037	CJRIVJJCLTZRJF-UHFFFAOYSA-N	412.876	3.952	10	20	HHCD	
COCCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1	754550364	HIKMZLJJZHQKBN-UHFFFAOYSA-N	416.433	3.525	10	20	HHCD	
Cc1cnc([C@@H](C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1	755009494	UPWPTAKYGRNCIA-CYBMUJFWSA-N	405.479	3.516	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)c1O	755096513	PXBCIHSNIZCKFP-NSHDSACASA-N	411.271	3.733	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CCOCC1)c1cc(Br)c(F)cc1O	756361743	HWPONEDBQOSVBU-AWEZNQCLSA-N	423.326	3.977	10	20	HHCD	
COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H](C)c1cc(C)ccc1O)CC2	756703405	AIHIHWVXTZXFEF-KRWDZBQOSA-N	412.530	3.734	10	20	HHCD	
C[C@@H](Nc1ccc(N(C)CCO)cn1)c1cc(Br)cc(Cl)c1O	756846612	VXISOUJSLBODMX-SNVBAGLBSA-N	400.704	3.805	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1F	757851185	DSKAFXWUJJEFET-UHFFFAOYSA-N	423.370	3.509	10	20	HHCD	
COc1ccc(N(C)CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1Cl	757855440	APVIVAKHLFVYHJ-UHFFFAOYSA-N	410.301	3.502	10	20	HHCD	
C[C@@H](c1cccc(NC(=O)NCCCSc2nccs2)c1)N1CCOCC1	758599075	RJYSYMVJUPLERB-HNNXBMFYSA-N	406.577	3.840	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1cccc(N2CCOC2=O)c1	759570432	OBXAUQTZSQZGCZ-CYBMUJFWSA-N	406.533	3.642	10	20	HHCD	
C[C@H](NC[C@H](CO)Cc1cccc(Br)c1)c1cc(F)cc(F)c1O	760039905	HETJKWQKNSBCQE-WCQYABFASA-N	400.263	3.935	10	20	HHCD	
O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1Cc1ccc(N2CCCC2)cc1	761090041	IJWNLLOVQOKZMI-GOSISDBHSA-N	414.303	3.842	10	20	HHCD	
CC[C@@H](c1ccccc1)N1CC(=O)N([C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O	761162733	WBBDDNGTOFHUMQ-AVRDEDQJSA-N	407.514	4.000	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C/c3cc(F)ccc3Br)SC2=S)CC1	761180195	JCBVMJJKQWINGX-ZROIWOOFSA-N	415.353	3.884	10	20	HHCD	
CCOc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc(Cl)c1O	762582721	PHYQHXHVEJDNQD-UHFFFAOYSA-N	406.935	3.928	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(O[C@@H]2CCOC2)cc1	765295643	UDHYEOLSADRKQB-OAHLLOKOSA-N	407.264	3.644	10	20	HHCD	
C[C@@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(N2CCOCC2)cc1Cl	765404059	KBKUTOIHFSULMU-MRXNPFEDSA-N	413.949	3.920	10	20	HHCD	
C[C@@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCC2)cc1	765625074	VQEMAOIGDCICTP-MZNJEOGPSA-N	406.530	3.582	10	20	HHCD	
O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NCCCSc1nccs1	768124829	LFJXVYJBNCXMJC-UHFFFAOYSA-N	406.529	3.566	10	20	HHCD	
O=C(c1ccc(Cl)cc1)N1CCN(Cc2cc(Br)ccc2O)CC1	768236749	KDPRKBQJJBZPGJ-UHFFFAOYSA-N	409.711	3.766	10	20	HHCD	
C[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cnc2ccccc21	771059365	PLRJAKHZIOMPGM-YJBOKZPZSA-N	412.921	3.737	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1	773741549	KLSJRJFDZBLHOW-GOEBONIOSA-N	411.527	3.671	10	20	HHCD	
CCN(C)c1ccc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1	773843586	ADAPXPCJJPGKEG-GOSISDBHSA-N	401.576	3.876	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cc(I)ccc2C)c1O	775071680	CYGMBYJUUVECIM-UHFFFAOYSA-N	414.199	3.834	10	20	HHCD	
C[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	775630194	IVBSCSUYUOTWRT-IRXDYDNUSA-N	424.513	3.709	10	20	HHCD	
O=C(NC[C@@H]1COC2(CCCCC2)O1)N(Cc1ccco1)Cc1ccccc1O	776066432	ZRFCFGIJEWEYDZ-LJQANCHMSA-N	400.475	3.773	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)cc1F	777860598	VDZNGEVNAMAATA-UHFFFAOYSA-N	412.914	3.659	10	20	HHCD	
O=C(CSc1cccs1)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1	778914753	LBWJVFBDDOWJIW-UHFFFAOYSA-N	414.508	3.820	10	20	HHCD	
CCOC(=O)[C@H](NCc1ccc(N(C)C)cc1)c1ccc(OC)c(Br)c1	779178046	JXGFTQAHMPVJSO-LJQANCHMSA-N	421.335	3.918	10	20	HHCD	
COCCn1cc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cn1	780773886	DBLPCPZIXPGKMU-UHFFFAOYSA-N	400.523	3.507	10	20	HHCD	
COC(=O)COc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	783574660	UKMVJIIVTQPPDU-KRWDZBQOSA-N	420.456	3.598	10	20	HHCD	
CN(C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)C(c1ccccc1)c1ccccc1	784288730	ZQGXSJIIZFQVHT-FYWRMAATSA-N	417.461	3.902	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCCCC1CCCC1	788228202	YYRTWAZFZZZSJX-UHFFFAOYSA-N	411.340	3.590	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(C(=O)NCCO)c(Cl)c2)c(C(F)(F)F)c1	788866327	WZKDLYLZSHXSTK-UHFFFAOYSA-N	415.843	3.759	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	792232488	MFVFOQZVHYDYFG-UHFFFAOYSA-N	420.296	3.633	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c(O)c1	792999071	BNGABFIVALWMTH-GOSISDBHSA-N	421.538	3.674	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3nccn3C)CC2)c(C)n1-c1ccc(Cl)cc1	793945505	AEWDXXUEGBICFQ-UHFFFAOYSA-N	411.937	3.880	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1O	797039882	LVCHIBDRFLDLIB-GOEBONIOSA-N	410.356	3.794	10	20	HHCD	
Oc1c(Br)cccc1CNC[C@@H](O)c1cccc(Br)c1	801733658	UVAJDHFPKLHLRX-CQSZACIVSA-N	401.098	3.740	10	20	HHCD	
C[C@@H](NC[C@@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)c(F)c1	802316574	RERVCUXKNFIYPX-JLTOFOAXSA-N	423.326	3.809	10	20	HHCD	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)NCCCSc1nccs1	805882158	SMYSMASDYOQRBQ-QGZVFWFLSA-N	405.589	3.954	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1	806276215	LESQTBJOCXPIPB-IRXDYDNUSA-N	403.573	3.584	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3C)SC2=S)cn1	806549718	VYHVPRYWLXWHNA-DHDCSXOGSA-N	402.497	3.822	10	20	HHCD	
C[C@H]1[C@H](N2CCCC2)CCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806684828	LGGGEUYNOJBLGY-OXJNMPFZSA-N	422.520	3.525	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1	806806944	RCGCMUFLRRRNGZ-UHFFFAOYSA-N	400.454	3.895	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)[C@H](C)c1ccccc1	806870992	QUXNVGNGUWXCDI-ROUUACIJSA-N	406.482	3.822	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC3CC(NC(=O)OC(C)(C)C)C3)cc2F)C[C@@H](C)O1	809607025	MTEQDMUPEXHMTQ-RCDYEMGKSA-N	407.530	3.585	10	20	HHCD	
C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1)c1ccc(N2CCOCC2)cc1	810208888	ZLHWWDXXRMZXJO-MRXNPFEDSA-N	412.917	3.655	10	20	HHCD	
COc1cccc([C@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)N2CCCC2)c1	915690309	SANMEGRSQOAIEY-DEOSSOPVSA-N	422.573	3.932	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCN(c2ccccc2)C1	916579422	COSQKIVINYIMRY-FQEVSTJZSA-N	410.587	3.566	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1	917392598	AYXWQXXTYIFBDR-UHFFFAOYSA-N	422.554	3.552	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)n2)s1	917902373	HDNFHSSWSZQYDI-UHFFFAOYSA-N	410.502	3.901	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)cc1	918098798	FHFCVJCDLKVION-XMMPIXPASA-N	424.589	3.714	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1	918228994	SRPFNRXHUUPVKA-UHFFFAOYSA-N	423.561	3.797	10	20	HHCD	
O=C(Nc1ccc2ncccc2c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	918294195	MOMAWFAMFIQADN-UHFFFAOYSA-N	401.422	3.701	10	20	HHCD	
CCOc1cc(F)ccc1NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	918308675	AWAWILBKRXIFKL-UHFFFAOYSA-N	401.482	3.668	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)c1ccccc1C(F)(F)F	921072292	LBKYJWUFVUOYEQ-IBGZPJMESA-N	407.436	3.838	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)cc2F)CC1	1319841803	XALBAEJTPOVWNZ-URXFXBBRSA-N	415.528	3.805	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)C(=O)c3cnn(C)c3)n2)c(C)n1-c1ccc(F)cc1	303024819	NYYLMHXERIGMFO-UHFFFAOYSA-N	423.473	3.912	10	20	HHCD	
COc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-]	237369244	SMOGPGXHRSEBQX-HNNXBMFYSA-N	407.417	3.963	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN4CCOc5cccc3c54)ccc21	536525156	BJHMJQVODAUYBA-UHFFFAOYSA-N	405.498	3.764	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc(N2CCCC2=O)ccc1Cl	541997119	UGHFHENVAASOMQ-UHFFFAOYSA-N	414.893	3.964	10	20	HHCD	
CCS[C@@H]1CCC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	809237350	VAMLSDPNLODFIZ-TZIWHRDSSA-N	417.619	3.816	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)n(C)c2ccccc12	472813514	UNJZPABBQWSJPZ-UHFFFAOYSA-N	410.524	3.927	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCCNC(=O)c1cccc(F)c1	802143612	WJKMANVLBMGZLZ-UHFFFAOYSA-N	401.482	3.663	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1cc(OC)c(OC)cc1OC	801966003	HKDGMXMXBVETNL-UHFFFAOYSA-N	402.491	3.930	10	20	HHCD	
CCCC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(OC)cc1	803662204	UYOZFWWEDOXLBS-FQEVSTJZSA-N	415.509	3.564	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1nc(C)c(C(=O)OCC)s1	802225339	BMSFBEMZAAFFHI-UHFFFAOYSA-N	405.520	3.846	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H](C2CC2)C1	811532002	VDLUZISNHISVOB-AWEZNQCLSA-N	406.529	3.517	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc(OC)c1C	815594122	GTLZIWBYMIXFJQ-UHFFFAOYSA-N	411.502	3.756	10	20	HHCD	
O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	819421720	LCDWQYCBWPZJKQ-MRXNPFEDSA-N	415.433	3.781	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CCN(c2ccc(F)cc2)C1=O	820006315	SCDMUMLZPVAJJO-QGZVFWFLSA-N	415.428	3.527	10	20	HHCD	
O=C(NCCOc1ccc(F)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726614266	SXJNUKUCGYXWCC-UHFFFAOYSA-N	423.435	3.774	10	20	HHCD	
O=C(NCCc1ccc(F)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726609393	WNBNWWDKQYXDNE-UHFFFAOYSA-N	407.436	3.938	10	20	HHCD	
COC(=O)[C@]1(c2ccccc2)CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1	490411922	NJRLBRGSOMAIJU-XMMPIXPASA-N	405.498	3.513	10	20	HHCD	
COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cc(O)cc(Br)c1O)N2	730273442	RLMNRUODFNFINP-QGZVFWFLSA-N	405.248	3.598	10	20	HHCD	
C[C@H](NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	734665250	XDHZROAUQOPHKP-GBXCKJPGSA-N	422.573	3.895	10	20	HHCD	
CS(=O)(=O)c1ccccc1NNC(=S)Nc1ccc(OC(F)F)c(Cl)c1	735627213	LNVBZWZIALFVST-UHFFFAOYSA-N	421.878	3.658	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1	730769314	DHOSEFDBMNNKNK-UHFFFAOYSA-N	422.550	3.999	10	20	HHCD	
CC(C)COc1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc1	730291022	SJSSLRBNNREAMY-XMHGGMMESA-N	420.600	3.645	10	20	HHCD	
CCCn1c(/C(Cl)=C/c2cnn(CC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	732530190	KAPGNNFOKLJBGU-YBEGLDIGSA-N	421.954	3.650	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)C[C@H](C)c3ccccc3)cc2F)CC1	730133436	RXIMWPDBKRCZCU-IBGZPJMESA-N	412.553	3.913	10	20	HHCD	
Cc1ccc([C@@H]2CSCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	734941214	BESCYLAJHNBYPQ-QFIPXVFZSA-N	411.571	3.831	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(CN(C(C)=O)C4CC4)cc3)CC2)cc1	737011031	NXYJUJKORUZPLD-UHFFFAOYSA-N	422.529	3.560	10	20	HHCD	
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1	919786324	SRKJOCRNRBKIKY-DENIHFKCSA-N	424.614	3.875	10	20	HHCD	
COC(=O)NCCC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC(C)C	730744812	SWCKNAJHLHOVJI-UHFFFAOYSA-N	404.488	3.973	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)cc2F)CC1	741564610	XCEFEIQHDFSLFY-MSOLQXFVSA-N	417.475	3.666	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1F	746803377	UHLDXXNEUQZOGE-UHFFFAOYSA-N	403.461	3.615	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3cc(C)sc3C)CC2)cc1	742939987	OECGCHXEALCJDW-QGZVFWFLSA-N	416.591	3.556	10	20	HHCD	
O=C(NCCc1nnc(-c2ccccc2)o1)N(Cc1ccco1)Cc1ccccc1O	749205431	YATAVXGBSJBFBJ-UHFFFAOYSA-N	418.453	3.990	10	20	HHCD	
O=C1OCCN1c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1	741136905	LFBLKGUFRHHBAI-UHFFFAOYSA-N	419.459	3.707	10	20	HHCD	
CCOc1ccc(Oc2cc(CNC(=O)NCc3cccc(OC)c3O)ccn2)cc1	745674622	OAWQOIOUGDSARC-UHFFFAOYSA-N	423.469	3.986	10	20	HHCD	
Cc1cc(C(=O)NCCN2CCC(N(C)C)CC2)c(C)n1-c1ccc(Cl)cc1	748747766	VQEBHHDGNCPIFG-UHFFFAOYSA-N	402.970	3.503	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3CCC(c4ccccc4)CC3)cc2)C1	742567268	XPRDAZNHWOCVJK-VNXZQDSDSA-N	419.569	3.979	10	20	HHCD	
Cc1cccc(C)c1NCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	741742610	WMAFTOGOZXRNIW-UHFFFAOYSA-N	421.463	3.887	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	750853705	GVQNCJOYXLHUND-CYFREDJKSA-N	419.569	3.903	10	20	HHCD	
O=C(c1cccc(O)c1)N1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1	753530523	NEBMQHVMBGDKNO-UHFFFAOYSA-N	418.493	3.635	10	20	HHCD	
CC[C@@H](C)n1ncc2c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc(C)nc21	750720574	NMKHFMOGMBWORC-GOSISDBHSA-N	421.545	3.820	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CN(C)Cc2ccccc21	757743163	XBTWMUIYMYQVLP-GOSISDBHSA-N	418.335	3.873	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@@]12CCCO2	759407750	BENXZKNWULSXCR-VIZSFHNOSA-N	422.485	3.883	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1F	753860514	FLMDSZLMLODUAZ-AWEZNQCLSA-N	423.435	3.585	10	20	HHCD	
CCOCCOc1cc(C)ccc1CNC(=O)N[C@H](C)c1cc(OC)ccc1O	755236805	IGHFAZLBSQMWOF-MRXNPFEDSA-N	402.491	3.685	10	20	HHCD	
C[C@H](NCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(Br)cc(Cl)c1O	756367507	NBXVQJWNBIFOEH-UPJWGTAASA-N	405.764	3.958	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccccc1C(F)(F)F	755244379	TWCIVNKNNDBMBB-UHFFFAOYSA-N	407.436	3.550	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1	756030748	JQHGQBJSYGVHKY-UHFFFAOYSA-N	415.490	3.790	10	20	HHCD	
CCc1cc(N2CCC[C@H](N[C@H](C)c3cc(Br)ccc3O)C2)ncn1	756710813	FBQVZELECGNDAS-CJNGLKHVSA-N	405.340	3.827	10	20	HHCD	
C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(Br)cc1O	756428822	BTYIIBCSVKJUKU-KGLIPLIRSA-N	406.324	3.626	10	20	HHCD	
CSc1ccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	768513170	XSGVZZZXQGELTL-HOTGVXAUSA-N	418.534	3.856	10	20	HHCD	
COc1ccc([C@@H](CCO)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	763398251	KYGHBUDFLVAGRX-KSFYIVLOSA-N	404.938	3.960	10	20	HHCD	
COC1(c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)CCC1	762388509	NDHYQYXCQYAYOR-QBFSEMIESA-N	421.569	3.991	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C(C)=O)c(C)c3)cc2F)CC1	760087901	JZHRLAZGJTWJFB-UHFFFAOYSA-N	412.509	3.800	10	20	HHCD	
C[C@@]1(c2ccccc2)NC(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O	761636828	QWBKCORLGLBTIB-VGSWGCGISA-N	415.440	3.724	10	20	HHCD	
C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	765008489	BCMGTJAVDISYFR-AVRDEDQJSA-N	411.521	3.677	10	20	HHCD	
O=C(NC[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1)c1ccccc1	769242854	LTMWBFWJEJSVDV-AWEZNQCLSA-N	403.866	3.596	10	20	HHCD	
C[C@H](NCCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)cc1Cl	766162711	QKELKWCQKHUJSF-KRWDZBQOSA-N	415.965	3.772	10	20	HHCD	
Cc1cc(Br)cc(CN2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1O	775741843	RMIVCYGXSFFRRS-RTBURBONSA-N	406.320	3.788	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC2CCN(C3CC3)CC2)cc1	775204137	OLCVFFZGYYRKJX-UHFFFAOYSA-N	410.562	3.932	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CC[S@](C)=O)c(C)n1-c1ccccc1Br	779215221	ICVWLLHDBVBQEC-MCFWBGNESA-N	411.365	3.744	10	20	HHCD	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773760882	MKKKMFQTMVACRZ-CYBMUJFWSA-N	400.862	3.912	10	20	HHCD	
C[C@@]1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCc2ccccc21	774765935	OFVSHQVZSHPBOM-SANMLTNESA-N	421.585	3.989	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2C)cc1	777406747	XTAREYBUVASNPP-UHFFFAOYSA-N	422.504	3.519	10	20	HHCD	
O=C(c1ccccc1)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	771926848	ITUREVFFHOBVJF-UHFFFAOYSA-N	408.502	3.543	10	20	HHCD	
Cc1cc(C(=O)N2CCC(c3nnc(O)o3)CC2)c(C)n1-c1cccc(Cl)c1	773496851	KIKLAKUTPHYIPX-UHFFFAOYSA-N	400.866	3.856	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCOc1cccc(Br)c1	773743705	IBLNHJNSGRQJHG-ZDUSSCGKSA-N	408.292	3.767	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CCN1C(=O)OC(C)(C)C	774910513	CFJPSMWGJFKSCJ-KGLIPLIRSA-N	414.597	3.713	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(Cl)c(Cl)n1C	777826607	OKEANUIULHUKRK-UHFFFAOYSA-N	405.665	3.506	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1	782717079	XAZSJJUFDFXQOV-UHFFFAOYSA-N	423.517	3.594	10	20	HHCD	
CC(=O)NC1CCC(N(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	785072968	ALYCUFDFCQHGFX-UHFFFAOYSA-N	421.501	3.946	10	20	HHCD	
CCSCc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	789965620	HAIZOFNVOQEQLH-UHFFFAOYSA-N	402.535	3.970	10	20	HHCD	
Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	789588515	IEJHSCIKGJPOFJ-GFCCVEGCSA-N	422.298	3.779	10	20	HHCD	
Cc1cc(C)c([C@H](C)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(O)c1	788801048	XYBOCNUQOANLNI-ICSRJNTNSA-N	414.521	3.516	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C(F)(F)F)c1	789837098	QADQENCUDRYLFM-SNVBAGLBSA-N	411.380	3.828	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccccc2O[C@H]2CCOC2)cc1	784109144	QVXMYEYSUWLEJT-FQEVSTJZSA-N	423.513	3.598	10	20	HHCD	
CCCNC(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl	789889361	FNCPSJBAMWEKHU-UHFFFAOYSA-N	400.954	3.844	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(C2CCC2)cc1)c1ccc(N2CCOCC2)cc1	787474683	XNAMUNHPXWFGJZ-QGZVFWFLSA-N	407.514	3.607	10	20	HHCD	
CC(=O)N(C)c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	782896390	MMEYEFATDGEDPL-UHFFFAOYSA-N	423.513	3.675	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2Oc2ccccc2)c(O)c1	797390827	UWOOAQUTYNKVDE-UHFFFAOYSA-N	410.401	3.587	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1csc2ccccc12)c1ccc(N2CCOCC2)cc1	795809966	VKCSETSNEZNWLF-OAHLLOKOSA-N	402.541	3.777	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]1c1cccc(Cl)c1	798084576	ZFYHSCHENLAKLY-FCHUYYIVSA-N	413.949	3.904	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1	797626358	VTZMVNWSEGMWFE-CQSZACIVSA-N	415.490	3.875	10	20	HHCD	
Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OCC1CCOCC1	797629489	HHOIZQIVPBSJBV-INIZCTEOSA-N	414.502	3.964	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3ccnn3-c3ccc(F)cc3)cc2F)CC1	792966991	XFSTXPQNFKYUJZ-UHFFFAOYSA-N	411.500	3.582	10	20	HHCD	
Oc1cc2c(cc1CN1CCCN(Cc3ccc(C(F)(F)F)cc3)CC1)OCO2	798227276	AWHQAISCVKDBBK-UHFFFAOYSA-N	408.420	3.848	10	20	HHCD	
COCc1ncsc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	792748517	YLBHCOYPNIPLFB-UHFFFAOYSA-N	402.447	3.876	10	20	HHCD	
COC(=O)Nc1cccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1C	798028304	JXCRVHICHJYZKV-UHFFFAOYSA-N	416.453	3.675	10	20	HHCD	
COc1cc(Br)cc(CNc2ccc(OC(C)C)c(C(N)=O)c2)c1O	793379684	VKXBPAIRTIABOG-UHFFFAOYSA-N	409.280	3.662	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)Cc3ccc(-n4nc(C)cc4C)cc3)CC2)cc1	1319625956	QLEDGXKNIDCRJS-UHFFFAOYSA-N	418.541	3.779	10	20	HHCD	
COc1cc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)ccc1OCCC(=O)O	16912222	ZBPXSMWWVBTWPH-LDADJPATSA-N	412.467	3.940	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(-c2ccccn2)[nH]c1=O	115839983	JZSYPEZNKKHQJG-UHFFFAOYSA-N	402.498	3.699	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(-c4nc(=O)o[nH]4)c3)ccc21	590960883	CFTYAKWXEYWMCD-UHFFFAOYSA-N	406.442	3.500	10	20	HHCD	
CCc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726603448	HIBVTBDAPGUBSX-UHFFFAOYSA-N	410.486	3.798	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3c[nH]c4cc(C)ccc34)CC2)cc1	726709861	UDZKNGZXIHKMIJ-UHFFFAOYSA-N	406.530	3.996	10	20	HHCD	
C[C@H](NC(=O)NCCc1nc(C(C)(C)C)cs1)c1ccc(N2CCOCC2)cc1	729602688	PDUROPHYDORDIO-INIZCTEOSA-N	416.591	3.880	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1-n1cnnn1	731107458	AVCRORCVGTYHHK-UHFFFAOYSA-N	405.506	3.529	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3csc(C)n3)CC2)cc1	731612078	SDDIYSYGVUIVAT-UHFFFAOYSA-N	400.592	3.826	10	20	HHCD	
C[C@@H]1Oc2c(cccc2C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)NC1=O	731989817	WJUILJPWXVIYRX-ZDUSSCGKSA-N	421.419	3.677	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1F	732919223	WPGVXXKGRSUWFW-QGZVFWFLSA-N	409.484	3.932	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1	734016004	DVWIKADSUXEYTM-UHFFFAOYSA-N	409.339	3.674	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3	734408499	RGABDKNZZSMFRO-UHFFFAOYSA-N	424.570	3.899	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl	734466874	FHXXXJJVRICOMQ-ZDUSSCGKSA-N	408.329	3.803	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1[N+](=O)[O-]	742798463	NYTRBJDFQDDVDM-HNNXBMFYSA-N	405.401	3.903	10	20	HHCD	
CO[C@@]1(C)C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C	745800133	OOBWCSDCKCMXEK-UWJYYQICSA-N	411.493	3.760	10	20	HHCD	
CCNC(=O)N1CCc2ccc(NC(=O)NCc3c(O)ccc4c3CCCC4)cc21	746032034	MSONJWJRFZQBLP-UHFFFAOYSA-N	408.502	3.685	10	20	HHCD	
CCCN(CC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C)[C@@H]1CCS(=O)(=O)C1	746881969	FNXIHXUVNYHEIR-LJQANCHMSA-N	420.550	3.623	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1	747476993	OWEPRLIYOHNFRV-UHFFFAOYSA-N	415.444	3.533	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)c2C)c1	749398822	FNHGSLNVYCLUMB-UYAOXDASSA-N	402.560	3.797	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	749551966	KUJLJEHYHHYGLX-RDPSFJRHSA-N	406.574	3.997	10	20	HHCD	
CC(=O)[C@@H]1CC(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)=NN1c1ccccc1	751301788	FNLIMVWJHAVZDM-FQEVSTJZSA-N	424.464	3.559	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1O	753318913	WMFGIZFELXQWCE-QHAWAJNXSA-N	409.530	3.501	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H](c3ccc(F)cc3)c3ccccn3)cc2)C1	753627394	WYXDATPWDWHLMY-GBXCKJPGSA-N	418.516	3.802	10	20	HHCD	
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	753637366	SUUMLQYGAHMJMI-CYBMUJFWSA-N	413.905	3.844	10	20	HHCD	
CC[C@H]1c2ccsc2CCN1C(=O)CN1CCN(c2ccc(OC)c(F)c2)CC1	753861098	MECKTIJIDDLEKH-IBGZPJMESA-N	417.550	3.554	10	20	HHCD	
O=C(Cc1ccc2c(c1)COC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	754245432	GIXRWOPWOMAOLM-UHFFFAOYSA-N	402.441	3.646	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3oc4ccccc4c3C)CC2)cc1	754632188	OOZMEOUTCSNZNW-SFHVURJKSA-N	407.514	3.749	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1	757654358	AQBVXACRFUWSKE-NYHFZMIOSA-N	406.523	3.867	10	20	HHCD	
COc1cc(N2CCN(Cc3c(O)ccc4ccccc34)CC2)cc(OC)c1OC	758965512	QTXRINHHMCZAJA-UHFFFAOYSA-N	408.498	3.893	10	20	HHCD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	759787789	QVKZGSBGVQYMDV-UHFFFAOYSA-N	402.560	3.769	10	20	HHCD	
CSCc1ccccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	760079550	YGRSSSMIYGVZSX-UHFFFAOYSA-N	403.523	3.972	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c(C)n1-c1ccccn1	760993412	HGMZQZFFHFXZDW-UHFFFAOYSA-N	416.481	3.781	10	20	HHCD	
Cc1cccc(-n2ncc(C(=O)NCCc3ccc(O)c(O)c3)c2C(F)(F)F)c1	762263307	DWNFTNLQDWZMQW-UHFFFAOYSA-N	405.376	3.583	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1	764630529	SJTONAVLOXWPEW-FQEVSTJZSA-N	419.566	3.517	10	20	HHCD	
COCCCOc1cccc(NC(=O)NCc2cccc(Br)c2O)c1	765304608	YSPBMKDBZJZZEO-UHFFFAOYSA-N	409.280	3.892	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)c1	765677771	HVYGHUXEFHIWBZ-CALCHBBNSA-N	415.509	3.756	10	20	HHCD	
O=C(COc1cccc(C(F)(F)F)c1)NCc1cccc(Br)c1O	765766031	UXDQBHQEMRSPLV-UHFFFAOYSA-N	404.182	3.869	10	20	HHCD	
O=C(Cc1csc(-c2cccnc2)n1)NCc1cccc(Br)c1O	765771204	VIKGKJHCPJRYCW-UHFFFAOYSA-N	404.289	3.532	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@](C)(O)c3ccccc3Cl)CC2)cc1	765878597	GAAWPLXRTRLERW-JOCHJYFZSA-N	417.937	3.524	10	20	HHCD	
CC[C@H](C)Oc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1	765927528	SCUVUCJPFWYHGL-LBPRGKRZSA-N	421.291	3.587	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769422466	JMPZLEWEKRSXAO-PKOBYXMFSA-N	421.557	3.788	10	20	HHCD	
CC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	769485227	LZZPUVRQDINTOQ-CTNGQTDRSA-N	403.567	3.648	10	20	HHCD	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1C	771134376	RBZAVSIGOZGCER-UHFFFAOYSA-N	423.516	3.942	10	20	HHCD	
CCC1(O)CCC(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	772096114	SNYBRJQLYWRLLC-TZQQIIETSA-N	411.493	3.640	10	20	HHCD	
C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccc(N(C)C)cc1	773626420	UBNIYEBHUZCPRX-AWEZNQCLSA-N	420.355	3.819	10	20	HHCD	
C[C@@H](NCC(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1	775836165	JYEYJXHGZZKYAB-OAHLLOKOSA-N	409.452	3.617	10	20	HHCD	
Cc1ccnc2c(S(=O)(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cccc12	777948715	FPKABZGJWJDRTJ-GOSISDBHSA-N	412.511	3.619	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(Cl)cc(OC)c1O)c1ccc(Br)cc1	779173122	BBFINGKYUVIOAF-HNNXBMFYSA-N	414.683	3.821	10	20	HHCD	
CCOC(=O)[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)c(F)c1	779185847	HVCVKMGFOXHOIY-QFIPXVFZSA-N	416.493	3.706	10	20	HHCD	
C[C@H](NC(=O)Nc1ccnn1Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	779459664	XTMYWMNPTPIBTD-KRWDZBQOSA-N	423.492	3.790	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cn(-c2ccccc2)nc1-c1ccncc1	779481641	PKUFIDNKDUCSBZ-VQHVLOKHSA-N	412.449	3.675	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1cccc(Br)c1	780357302	CKXPAOCKWOOHDG-HZPDHXFCSA-N	405.336	3.742	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2	780494687	AXXNHHWRFUHOEI-XXBNENTESA-N	401.551	3.748	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cn(C)nc3-c3ccccc3)CC2)cc1	782527274	HCOHOSIWRIYTDO-UHFFFAOYSA-N	419.529	3.564	10	20	HHCD	
CCOc1ccccc1[C@H](CC)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	787869142	LTGFDLMVJXLSBE-NRFANRHFSA-N	409.530	3.569	10	20	HHCD	
C[C@H](N[C@H](C)CN1CCN(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1O	788603545	RHYIOVMRVARJAA-CVEARBPZSA-N	408.468	3.667	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C3(SC)CC3)c2C)cc1	789202724	QYCIRAWXFYQFLY-UHFFFAOYSA-N	401.484	3.502	10	20	HHCD	
C[C@@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccnn1C	791934066	DYVMNEUKSDOHCE-QJMZJAKPSA-N	421.569	3.767	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)n3)cc2Cl)C1	793065814	CDQMZOXEJBXCBQ-ZDUSSCGKSA-N	421.328	3.880	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@]2(CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)C2)C1	793604748	MOXVEBCCBACWJN-IBGZPJMESA-N	411.886	3.787	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1	793607391	CZAKUYLKKBXJJW-XZOQPEGZSA-N	423.557	3.528	10	20	HHCD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	793826576	RPONPDCCDNPSPO-KRWDZBQOSA-N	410.514	3.507	10	20	HHCD	
CC[C@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccc(F)cc1O	796994792	VNGDDUUKECRYOH-CVDCTZTESA-N	411.477	3.997	10	20	HHCD	
CC[C@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	797088882	YZACXQPEAHJZKJ-PLTIAYLTSA-N	414.377	3.823	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F	797453009	LNFHUNWPBHHMQG-UHFFFAOYSA-N	418.534	3.846	10	20	HHCD	
CC(C)CS(=O)(=O)N1CCC(N[C@H](C)c2cccc(C(F)(F)F)c2O)CC1	798183350	ONWWOEQELOCQNP-CYBMUJFWSA-N	408.486	3.512	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCCC2)c(C)n1-c1cccc(Br)c1	799037091	ZQXAWBJPXZOCGN-AWEZNQCLSA-N	418.335	3.597	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)cc2Cl)C1	800714726	UMWCZPYULJBZJP-NRJQMVOHSA-N	421.969	3.714	10	20	HHCD	
Cc1nn(C)c(Br)c1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	801083531	JPBTUKMYDDTQKI-UHFFFAOYSA-N	405.340	3.754	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1	802609799	KUFNGXKWDVROGJ-SFHVURJKSA-N	420.513	3.965	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCOc4ccccc43)cc2)CC1	804063765	APMIATHVAKVOJV-QFIPXVFZSA-N	421.541	3.569	10	20	HHCD	
COC(=O)N1CCC(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	805012945	XBFQXOXVZLWCBV-UHFFFAOYSA-N	416.566	3.733	10	20	HHCD	
CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCc2cccnc21	807677003	KHTVFMMDEMJMDA-LAUBAEHRSA-N	408.546	3.641	10	20	HHCD	
COc1ccc(CCN2C(=O)/C(=C\c3cn(C)nc3C(F)F)SC2=S)cc1	812219862	RGLWPXBOQXZHQN-NTEUORMPSA-N	409.483	3.810	10	20	HHCD	
Cc1cc(CN2CCC(OCCCNC(=O)OC(C)(C)C)CC2)ccc1N(C)C	815072548	OKTLOKUFNSDOQW-UHFFFAOYSA-N	405.583	3.957	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C1(Cc2ccc(F)cc2)CCOCC1	816496792	XRPJHVAYOORJFS-UHFFFAOYSA-N	422.294	3.950	10	20	HHCD	
O=C1c2ccccc2N[C@H](c2c(O)cccc2Br)N1C[C@H]1CCCO1	877845298	GBEDTCSWHBEPIG-XIKOKIGWSA-N	403.276	3.900	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1	914491591	LXPLVQNYCVSYES-LJQANCHMSA-N	421.497	3.516	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	916565414	CYEXVONXWITMGK-JTSKRJEESA-N	400.494	3.867	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N1CCc2ccccc21	916622571	APWSNFPMXNFGOE-GHTZIAJQSA-N	409.530	3.534	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)OC[C@@H]3CCCO3)c2C)cc1F	921102541	UTBIGWUKHQQQFL-HKUYNNGSSA-N	417.477	3.852	10	20	HHCD	
CCN(Cc1ccncc1)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1116431258	VSPNFSOQJNPRSZ-MRXNPFEDSA-N	413.477	3.706	10	20	HHCD	
C[C@H](NC(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)c1ccc(N(C)C)cc1	1255139441	FRQIQNOAGFPKCB-AOMKIAJQSA-N	406.530	3.971	10	20	HHCD	
CCN1CCN(CCCNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	302952531	CGVNSBXPYOXNKE-UHFFFAOYSA-N	402.970	3.505	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(N2CCCC2)c1	807511430	MROAKNRSKYENCA-UHFFFAOYSA-N	408.285	3.554	10	20	HHCD	
COc1ncc(/C=C/C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1	800049947	KIQPKSNSQQPKLX-PMGBHYCQSA-N	400.910	3.705	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccccc3S[C@@H](C)C(N)=O)cc2)CC1	801154541	PFITZECTNVLYRB-KRWDZBQOSA-N	411.571	3.819	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCCCS3)cc2Cl)C1	807954392	QQJFXVUTTNBUDY-NVXWUHKLSA-N	424.010	3.594	10	20	HHCD	
C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1(F)F	812067315	MQRVDLHLZCVPSW-ZIAGYGMSSA-N	403.420	3.944	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCOC1	812387499	OANCSTREAVLAEE-KRWDZBQOSA-N	417.513	3.815	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc21	482298497	XQRPONVAFXHRBA-UHFFFAOYSA-N	421.541	3.876	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H](c3ccccc3)C2)c1	814225470	SWCCBCAHOGNNFE-OAQYLSRUSA-N	408.542	3.807	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3CCC(OC[C@@H]4CCCO4)CC3)CC2)cc1	815258090	GUDYKAYDLBHJOG-CKRJSAQMSA-N	416.562	3.535	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)c2ccc(N3CCCOC3=O)cc2)c1O	816627438	OABJPKGDFPOHMY-ZDUSSCGKSA-N	401.419	3.507	10	20	HHCD	
Cc1cc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)ccc1N(C)C	815094684	GKGLARFMIHQTIM-SFHVURJKSA-N	401.576	3.794	10	20	HHCD	
C[C@H]1CCCN([C@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	726706132	YNXSKMPVLMIIBC-DLBZAZTESA-N	424.536	3.676	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1C	732563702	MLSZOJNXSAKALN-IBGZPJMESA-N	416.525	3.510	10	20	HHCD	
CN(C)CCOC1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	732705631	GFNDABBJEPDBJL-UHFFFAOYSA-N	423.517	3.610	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	732469158	AONDSTPHPWGJDO-GOSISDBHSA-N	405.901	3.991	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(I)c[nH]1	734428616	MMSPJSPORNVERC-UHFFFAOYSA-N	411.287	3.736	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2F)C[C@@H](C)O1	730119457	KZVHFIRGNQQSRH-QINHECLXSA-N	415.513	3.599	10	20	HHCD	
Cc1ccc2c(CCNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c[nH]c2c1	749423126	IAYDSWIDBLFHRB-UHFFFAOYSA-N	406.530	3.697	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1	742553790	IXTXAAAZIRMOPC-LJQANCHMSA-N	419.591	3.646	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)C(F)(F)F)c(C)n1-c1ccc2c(c1)OCCO2	745617789	UPWQXMLUECIJQT-LBPRGKRZSA-N	411.376	3.790	10	20	HHCD	
O=C(NCCOc1ccccc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743504926	MMNGCPVSXJAMHU-OAHLLOKOSA-N	423.435	3.774	10	20	HHCD	
CCn1c(S)nc2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2c1=O	742476191	MRHPWSPYSCJNOF-UHFFFAOYSA-N	422.554	3.625	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc([S@](C)=O)cc2)cc1F	749569099	MARZWONXKVRNNR-NDEPHWFRSA-N	405.539	3.751	10	20	HHCD	
C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)n1cnc2ccccc21	742798947	DSASXDODMSGFIX-HOTGVXAUSA-N	414.456	3.984	10	20	HHCD	
O=C(COC(=O)CCCN1C(=O)CCC1=O)Nc1ccc(N=Nc2ccccc2)cc1	915558127	ZESMKVLIZINSOS-UHFFFAOYSA-N	422.441	3.513	10	20	HHCD	
COC(=O)NCC(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	917691678	SKFVRDLFCGIOOY-INIZCTEOSA-N	409.408	3.654	10	20	HHCD	
O=C(COc1ccc2c(c1)CCC2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805304	ISLMRCPYYOSOOZ-GOSISDBHSA-N	416.468	3.941	10	20	HHCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(-n2nccc2C(F)(F)F)c1	749178649	OGFSJHVTGRFKOV-UHFFFAOYSA-N	416.403	3.980	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(OCCC(N)=O)cc1	743150512	QGAWSEMJNDPURH-UHFFFAOYSA-N	410.518	3.595	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1	920343735	DQDFGNQSJJZRJD-ZIAGYGMSSA-N	407.436	3.717	10	20	HHCD	
COc1ccc(COCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742800444	RFRYGDJECZYMCG-KRWDZBQOSA-N	420.456	3.598	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Br)ccc21	755250073	HJXYIOYGWQRHFK-UHFFFAOYSA-N	418.291	3.599	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccnc(Br)c2)cc1	757639478	SIEHSOMATCJCPK-GOSISDBHSA-N	418.335	3.732	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)c[nH]1	753138897	QJZCRPUEPCQYLZ-QPEQYQDCSA-N	410.423	3.809	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)c2C)c1	758176522	QHQIHZIVUVIZOB-UHFFFAOYSA-N	408.523	3.662	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(C4CC4)n(C4CC4)c3=S)CC2)cc1F	754015807	ZRZYUQDGQRLFOH-UHFFFAOYSA-N	403.527	3.554	10	20	HHCD	
C[C@H](NCCCc1cnn(C)c1)c1cc(Br)cc(Br)c1O	756527839	KSOVXFSLJXKIHR-JTQLQIEISA-N	417.145	3.934	10	20	HHCD	
C[C@@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(Br)cc1O	756536090	PIGBPBGTBILGEL-OXQOHEQNSA-N	418.379	3.794	10	20	HHCD	
CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@@H](C)c2cc(F)ccc2O)CC1	756770149	TYVVXCZGKUJCQU-KRWDZBQOSA-N	420.550	3.944	10	20	HHCD	
CCN(CC)C(=O)c1ccc(CNC(=O)NCCCSc2nccs2)cc1	759550291	MIONZBMROSXKQT-UHFFFAOYSA-N	406.577	3.607	10	20	HHCD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C(C)C)c(O)cc3C)cc2C[C@@H]1C	755985911	PTAQFQACSYASLG-AWEZNQCLSA-N	402.516	3.922	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cccc(NC(=O)c3ccncc3)c2)c1	756459234	LZJWHXRIESSHAX-OAHLLOKOSA-N	405.454	3.677	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnccc1-c1cccc(F)c1	753553265	IFFBREGWCHVETA-UHFFFAOYSA-N	420.488	3.941	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H]3C[C@H]3c3sccc3C)CC2)cc(OC)c1OC	759219401	AQKWBUBUMHRYTN-SJORKVTESA-N	416.543	3.535	10	20	HHCD	
COc1cccc([C@@H](C)N2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)c1	769328809	SOXGBCMMCSSGOY-LJQANCHMSA-N	413.537	3.550	10	20	HHCD	
CCCn1nc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C	761982924	ODZLTUFPAABMTM-SFHVURJKSA-N	404.942	3.663	10	20	HHCD	
c1cc(NCc2ccc(N3CCOCC3)cc2)nc(-c2ccc3c(c2)OCCO3)c1	767294451	QNKHGFYNIDQROJ-UHFFFAOYSA-N	403.482	3.969	10	20	HHCD	
CN(C)c1ccc(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1	768215486	VBSNGGRUFICRFU-UHFFFAOYSA-N	411.575	3.615	10	20	HHCD	
CCN(CC)Cc1ccccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	760973211	VSIFYTLYLCCPAO-UHFFFAOYSA-N	415.921	3.852	10	20	HHCD	
C[C@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N2CCCCC2)cc1	764844255	KAVSYKWSGLJWET-IBGZPJMESA-N	412.578	3.972	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc([C@@H]2CCOC2)c1	761981054	MFARWAWMSFXARY-WIYYLYMNSA-N	414.933	3.944	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	767935281	YVDZMKUTSKNXPT-GOSISDBHSA-N	406.523	3.547	10	20	HHCD	
CC[C@H](Cc1ccccc1Br)NC(=O)NCc1cccc(OC)c1O	760193038	QWTIACFSZBQXJY-OAHLLOKOSA-N	407.308	3.984	10	20	HHCD	
CN(C)Cc1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	768913759	AEVNCEDAYRKOMT-FQEVSTJZSA-N	401.938	3.502	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc(Cc4cccc(C(N)=O)c4)no3)ccc21	761773807	WTTGAYYONSLEHB-UHFFFAOYSA-N	404.470	3.644	10	20	HHCD	
C[C@@H](N[C@H](CO)CC(F)F)c1cc(Br)cc(Br)c1O	760048694	DGPJGQWOVDCJDL-SVRRBLITSA-N	403.061	3.584	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCCN(Cc2ccccc2)C1	764762519	HFBMZZFKLDXEPN-KRWDZBQOSA-N	418.335	3.619	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1	765298515	VOYVEMYHOUXHTE-UPVQGACJSA-N	406.574	3.949	10	20	HHCD	
Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(Br)c1	763278507	CCJCHYPJUOTGHJ-QWHCGFSZSA-N	408.292	3.683	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c(C)c(C)c1O	775292404	ZMCPRQKTRWZSBE-HNNXBMFYSA-N	409.479	3.673	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2cc(Br)cc(F)c2O)CC1	776860681	QAFKYFBSXONWJP-MNOVXSKESA-N	403.292	3.811	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ncc(C(N)=O)cc3Cl)cc2Cl)C1	1116922038	QLRKACZYPBEVNA-LBPRGKRZSA-N	421.328	3.654	10	20	HHCD	
Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	773764042	UJISFHZRNTXOOQ-INIZCTEOSA-N	411.527	3.740	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCCOCc2ccc(Cl)cc2Cl)c1O	775049756	CXSXLXYWOGGDPA-UHFFFAOYSA-N	401.246	3.922	10	20	HHCD	
COCCC[C@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	778194727	VPMHYGULUMORSW-HNNXBMFYSA-N	415.486	3.654	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	779024301	ZTFJRLPXASSVTP-FXAWDEMLSA-N	421.557	3.570	10	20	HHCD	
CCOc1cccc(CNc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1O	770564586	XNAFRQAKLWDFNW-UHFFFAOYSA-N	405.498	3.895	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cc1)C1CCCCC1	776342737	IKYPHGBQRGUXCD-SFHVURJKSA-N	411.468	3.625	10	20	HHCD	
COc1ccc(N2CCC(NCCc3ccc(OCC(F)(F)F)nc3)CC2)cc1	775577239	LSIQLAPPMJLWJF-UHFFFAOYSA-N	409.452	3.832	10	20	HHCD	
C[C@@H](NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1	775405051	QBUAJZLCPANENW-CQSZACIVSA-N	423.904	3.939	10	20	HHCD	
C[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(N2CCCCCC2)cc1	773096806	XXESIUFQUBXCOX-XLIONFOSSA-N	422.616	3.614	10	20	HHCD	
CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1cc(Cl)cc(F)c1O	775756500	KFLAGNRDCGSFGN-UHFFFAOYSA-N	408.278	3.874	10	20	HHCD	
Cc1nn(C)c(N2CCOCC2)c1CN(C)c1ccc(OCc2ccccc2)cc1	783715648	OAFDDEYDGVCCKA-UHFFFAOYSA-N	406.530	3.781	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCCCc2cccc(Cl)c2)cc1	788952184	QWCQBLJASMCMFI-UHFFFAOYSA-N	401.938	3.551	10	20	HHCD	
Cc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)noc1-c1ccccc1F	788838061	BKKZALBGPVXTME-UHFFFAOYSA-N	410.449	3.947	10	20	HHCD	
Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1OC1CCOCC1	789838920	JZZFJAYSQRMXRE-OAHLLOKOSA-N	400.475	3.717	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C)C(=O)Nc1ccc2nc(O)[nH]c2c1	783079687	JUUJGIUPNBMTOD-ZDUSSCGKSA-N	424.482	3.922	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O	781137985	LYPCYIWGQLAVPC-SANMLTNESA-N	417.553	3.709	10	20	HHCD	
COC(=O)c1ccc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	784062916	WJXRMZYYUNKELA-UHFFFAOYSA-N	409.486	3.668	10	20	HHCD	
COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(O)cc1SC	792702160	OIHPYHRIBREPNE-UHFFFAOYSA-N	418.334	3.994	10	20	HHCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@]2(CCO[C@@H]2C)O1	790992166	OGAMKLXOWFGVCO-QZMQVMSPSA-N	422.485	3.835	10	20	HHCD	
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	799238591	CGEQBHWFEVUWAG-IERDGZPVSA-N	410.518	3.553	10	20	HHCD	
CN1Cc2cc(-c3csc(NS(=O)(=O)c4ccc(F)cc4)n3)ccc2NC1=O	799187558	UYCUAXOLMGOUAW-UHFFFAOYSA-N	418.475	3.727	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(Br)cc2Br)c(O)c1	794377606	QUICZRGDKCYQHS-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(N2CCCC2)cc1	1341523847	LAKPVFSYAXDHRL-JOCHJYFZSA-N	424.541	3.967	10	20	HHCD	
Cc1scc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)c1C	1845501008	PAPXSJCCJDFISO-UHFFFAOYSA-N	420.918	3.560	10	20	HHCD	
COc1ccc(CN(C)C(=O)CSc2ncc(-c3ccccc3)n2C)cc1OC	7130264	IPUZYZILWRFFCD-UHFFFAOYSA-N	411.527	3.855	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(-c4ccncc4)nn3C)ccc21	463894986	JFZNLKBTFHRLDF-UHFFFAOYSA-N	403.486	3.952	10	20	HHCD	
Cc1c(CNC(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n(C)c2ccccc12	472298363	WVIZJZBKUSSPRP-SFHVURJKSA-N	423.492	3.731	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(Cl)c3cccnc23)n(C)c2ccccc12	526923143	BOFPYKHXIGSDOO-UHFFFAOYSA-N	406.873	3.943	10	20	HHCD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566781	DXKWSCVYCLREJV-ZDUSSCGKSA-N	406.477	3.527	10	20	HHCD	
O=C(NC[C@H]1Cc2ccccc2O1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726612558	CQCHMGYFRLPIQF-LJQANCHMSA-N	417.456	3.560	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)NCc3ccccc3)ccc21	728639781	UEMZMHBPIUPUJU-SFHVURJKSA-N	408.498	3.766	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3ccc(Cl)cc3)cc2F)CC1	730110860	VWIKPHUCJVLSIB-UHFFFAOYSA-N	404.917	3.620	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1	731280267	QZPVARRGYOLCPE-UHFFFAOYSA-N	413.493	3.758	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F	731356829	VGJYJMBAVRQJFN-UHFFFAOYSA-N	415.874	3.712	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)c1	734016471	UAJZZARUMBJLPE-UHFFFAOYSA-N	407.257	3.527	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(CCCc3ccccc3)c2)c1O	737286396	YSAIPRTUELLQQK-UHFFFAOYSA-N	418.493	3.831	10	20	HHCD	
CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCCN(c2ccc(OC)cc2)CC1	740866265	LWYIWKJEXRRLHS-UHFFFAOYSA-N	417.437	3.636	10	20	HHCD	
CCOC(=O)c1c(NC(=O)Cn2ccsc2=O)sc(C)c1-c1ccccc1	741447527	NEPAZGUGXIJBRU-UHFFFAOYSA-N	402.497	3.762	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cc1	742240433	GLARNJNYSXVXRM-HXUWFJFHSA-N	422.356	3.749	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C2CC2)cc1	742524608	PJZSYFIQOWNOPN-UHFFFAOYSA-N	412.921	3.740	10	20	HHCD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	742644442	GQNUFIFCUNHGNM-RFWXGWTQSA-N	419.585	3.958	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)n1	743552468	ODEGGUJJLHXIHF-MRXNPFEDSA-N	421.501	3.906	10	20	HHCD	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	743632466	SFRAUAYIIKLKAW-KFWWJZLASA-N	422.447	3.801	10	20	HHCD	
C[C@@H]1CC[C@H](CCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)O1	743725075	BZMMYXWGLYMMPM-NSISKUIASA-N	419.566	3.782	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCc1ccccc1C	743870810	BWBWSKGUCQRCCR-HNNXBMFYSA-N	405.336	3.990	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(C(=O)NC2CCOCC2)cc1	753894206	SCVAROULFQYFSP-UHFFFAOYSA-N	423.513	3.502	10	20	HHCD	
CC(C)n1cc([C@@H](C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1	754807645	XGWGWNXXORWCFG-OAHLLOKOSA-N	416.481	3.529	10	20	HHCD	
C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1cc(Br)cc(F)c1O	756433095	VBCMPMQCSVYHTI-CQSZACIVSA-N	423.326	3.977	10	20	HHCD	
CCC(C)(C)OCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	756459076	WHJFWADAKYHYPA-UHFFFAOYSA-N	406.504	3.721	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1	756503843	NDTVJLWSKKQUKT-QRWLVFNGSA-N	418.921	3.556	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1	756571481	FHZCGJOKCBWDFV-LSDHHAIUSA-N	416.493	3.691	10	20	HHCD	
C[C@@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)cc(F)c1O	756783997	JSDNINPBUFVRAT-UKRRQHHQSA-N	421.310	3.993	10	20	HHCD	
Oc1cc2c(cc1CNCCCOc1ncc(C(F)(F)F)cc1Cl)OCO2	756989159	HOJLGWQLHYREQH-UHFFFAOYSA-N	404.772	3.747	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc(Br)cc1O	757636224	DPFKMJPPUXQURF-KBXCAEBGSA-N	405.336	3.572	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cc(Br)ccc1O	757637635	INVZGRLDWQTBPP-KSSFIOAISA-N	405.336	3.572	10	20	HHCD	
COc1ccc([C@H]2CCCN2C(=O)CN(C)c2ccc(OC)c(F)c2)c(OC)c1	757856747	GHFPUFUMPRJPJN-LJQANCHMSA-N	402.466	3.651	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C/Sc3ccccc3)CC2)cc(OC)c1OC	759223969	XSQBONVFVAXNNF-NTEUORMPSA-N	414.527	3.667	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc4ccccc4c3O)CC2)cc(OC)c1OC	759240311	KMIXVNIKWQLXRK-UHFFFAOYSA-N	422.481	3.534	10	20	HHCD	
CCOCCC1(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCCC1	760746726	VSMJWMLBFRVOIG-LJQANCHMSA-N	403.567	3.870	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Oc2cccnc2)nc1	760810247	XVILCXQURIVPFK-UHFFFAOYSA-N	423.448	3.566	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cccnc1OC1CCCC1	761001695	YKRPVPWFIJZDSH-UHFFFAOYSA-N	415.877	3.726	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2F)C[C@@H](C)O1	763423986	ASKQSXYCKVUOOM-TXEJJXNPSA-N	423.391	3.556	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cc(Cl)c(N)c(Cl)c3)c2)CC1	764326324	MOXPXAGKMCLEMM-UHFFFAOYSA-N	407.301	3.530	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C2CC2)cc1	764764363	MDMFSDLTFASZMI-UHFFFAOYSA-N	421.585	3.762	10	20	HHCD	
CCN(CCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)OC(C)(C)C	765754772	RRJOUZNOBVMLLK-KRWDZBQOSA-N	409.546	3.960	10	20	HHCD	
COc1cc([C@@H](C)NCc2ccc(N(C)C)cc2C)ccc1S(=O)(=O)C(F)F	766027906	AGXFHJNUCCPRTA-CQSZACIVSA-N	412.502	3.917	10	20	HHCD	
O=C(NC[C@H]1CCCN(Cc2cc(Br)ccc2O)C1)c1ccccc1	769245760	WKGJAKAORBGZHY-OAHLLOKOSA-N	403.320	3.797	10	20	HHCD	
COC[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1	773506422	PGCRHNKKDUNARY-QVKFZJNVSA-N	419.472	3.549	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1	773751222	NTDGVYNAMWUQGQ-LBPRGKRZSA-N	405.376	3.663	10	20	HHCD	
CN(C)c1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccccc12	774066331	MWKPADDERJPNRJ-SFHVURJKSA-N	405.498	3.828	10	20	HHCD	
CC[C@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1cc(Cl)ccc1O	775491760	IZHRURPPSNNVRT-FQEVSTJZSA-N	402.922	3.986	10	20	HHCD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775619210	CBYQLJXACIDOJD-INIZCTEOSA-N	403.548	3.959	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCS(=O)(=O)c3ccccc3C2)c1	775977882	GNBWIVFRNSIEKX-UHFFFAOYSA-N	408.523	3.832	10	20	HHCD	
C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1Cl	777041112	FSGVBXYICLJLED-OAHLLOKOSA-N	408.951	3.894	10	20	HHCD	
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1	779473457	PWPQPQUVDBRRGO-ACCUITESSA-N	424.478	3.575	10	20	HHCD	
COc1cc(CN(C(=O)/C=C\c2ccc(O)c(O)c2)C2CC2)ccc1OC(F)F	779488075	BXUUXLHMPGVRMC-WTKPLQERSA-N	405.397	3.912	10	20	HHCD	
C[C@H](NC(=O)Nc1cn(C)nc1-c1ccccc1)c1ccc(N2CCOCC2)cc1	779626860	GRXOMOIQUVLJPH-KRWDZBQOSA-N	405.502	3.806	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1	780321597	ITCYSVPJFZXUTG-HSZRJFAPSA-N	417.509	3.636	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(N3CCOC3=O)cc2)cc1	783013657	MUSYIUUEXDOXQE-UHFFFAOYSA-N	410.518	3.831	10	20	HHCD	
CC(C)OCCOCc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	789835215	LVTLHTRPSQQJMI-MRXNPFEDSA-N	402.491	3.792	10	20	HHCD	
Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2nc(C)ccc2c1	790515457	YJKWNBMSIZABNK-UHFFFAOYSA-N	423.488	3.523	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@](C)(Cc2ccccc2)[C@H](C)O)c1O	791005094	WYRXHQPCPCOXPG-VBKZILBWSA-N	408.336	3.883	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c(O)c1	793152056	BUTMHUBODTURLN-XJKSGUPXSA-N	409.255	3.658	10	20	HHCD	
C[C@@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cc(F)cc(F)c1O	793561998	SMGUDTXTCINZKY-SECBINFHSA-N	409.376	3.944	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1	793752428	UQNXXYBXXBJPNI-OFNKIYASSA-N	424.541	3.805	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cnc1C	794002155	NANFRVIFRZBUDU-UHFFFAOYSA-N	423.903	3.754	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1	797632268	FFSZOGUGNFIQFI-AWEZNQCLSA-N	421.453	3.742	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(NC(N)=O)c3)cc2Cl)C1	800343210	GWNRVYIZDKQWSJ-CQSZACIVSA-N	400.910	3.997	10	20	HHCD	
CCCc1noc2nc(CC)cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c12	800395178	QLLRFKLIEINLBR-UHFFFAOYSA-N	422.529	3.847	10	20	HHCD	
Cc1noc([C@@H]2CCCN(c3nnc(-c4cc(C)n(-c5ccccc5)c4C)n3C)C2)n1	800731568	JZOPJLZVDSZYEO-GOSISDBHSA-N	417.517	3.965	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	800758677	CEPDLWQWOXYANJ-DTQAZKPQSA-N	408.546	3.504	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1	801548327	SBKMLHZUQRWUMQ-UHFFFAOYSA-N	418.559	3.864	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1-n1nccc1C	802610797	RNXLTAVOQCBPTB-UHFFFAOYSA-N	406.486	3.654	10	20	HHCD	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NCCCSc1nccs1	806280415	CYYUTDYNFVLOFY-UHFFFAOYSA-N	418.371	3.707	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H](c3ccccc3)N(C)C)CC2)cc1	806683183	BETAOEBNNOYKPU-JPYJTQIMSA-N	410.562	3.655	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCC(O)(c2cccnc2)CC1	807123933	RBWZXNUHQOPCNJ-UHFFFAOYSA-N	410.301	3.724	10	20	HHCD	
C[C@@H](NCc1cccc(Br)c1O)[C@H]1CN(Cc2ccccc2)CCO1	809654861	RSHPJTCIINBMBI-DNVCBOLYSA-N	405.336	3.534	10	20	HHCD	
CCOC(=O)c1ccn(-c2cccc(CNCc3cc(Cl)cc(OC)c3O)c2)n1	809762349	LMOPOZKSOBQIQJ-UHFFFAOYSA-N	415.877	3.706	10	20	HHCD	
CCC[C@]1(CO)CCN(Cc2cc(Br)cc(Br)c2O)C1	809790188	BVHWEYYULNWUQW-HNNXBMFYSA-N	407.146	3.902	10	20	HHCD	
COc1cc(Br)cc(CN2CCCN3c4ccccc4C[C@H]3C2)c1O	811512612	HBYDMKRIUWVAJV-KRWDZBQOSA-N	403.320	3.800	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccoc2C2(O)CCOCC2)c(C)n1-c1ccccc1	815450787	OYXZZOYYENKEPM-UHFFFAOYSA-N	423.465	3.725	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1cccc(C(C)C)c1	915356543	NHNSIMXODJXZFC-UHFFFAOYSA-N	403.530	3.970	10	20	HHCD	
Cc1cc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)s1	918006207	OBYBTKYJZLKVEV-MAUKXSAKSA-N	414.575	3.627	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c1C	918677283	UTKAMQMJPGAXAZ-JOCHJYFZSA-N	405.498	3.917	10	20	HHCD	
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	919785631	FSZKULBPQNOMOE-UEVCKROQSA-N	423.557	3.918	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1	1320384860	DEWNIJHPEPTGIU-IFXJQAMLSA-N	406.523	3.619	10	20	HHCD	
COc1cc(N2CCN(c3ccc(Br)c(C)n3)CC2)cc(OC)c1OC	302143237	GBFSQDCTIJRTAS-UHFFFAOYSA-N	422.323	3.505	10	20	HHCD	
CCOC(=O)/C(=C/c1cnc2c(c1)c(C)nn2C)c1nccn1Cc1ccccc1	303050103	VDCKUFCGXSCUNL-DEDYPNTBSA-N	401.470	3.625	10	20	HHCD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726708752	QFFDJGCHMDIWBT-SJORKVTESA-N	424.536	3.676	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)cn2)cc1	727375939	WVVLZNSHMRCXCV-GOSISDBHSA-N	418.335	3.732	10	20	HHCD	
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)NC2=S)c1C	727434526	KMDCAEPLMDIXIQ-AQTBWJFISA-N	411.502	3.541	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)Cn3c(-c4cccnc4)noc3=O)c2C)c1	728161651	QAZZEUUSELFMRY-UHFFFAOYSA-N	420.494	3.911	10	20	HHCD	
COc1cccc(CNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1O	729861629	UGTCEZKMHXOEAR-UHFFFAOYSA-N	400.438	3.579	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(Br)c1O	730105821	QDRCIMUIRWWWCK-UHFFFAOYSA-N	407.333	3.638	10	20	HHCD	
O=C(CCc1nnc(-c2ccsc2)o1)N(Cc1ccccc1O)C[C@H]1CCCO1	731858759	NCGOHDJPDUARLA-QGZVFWFLSA-N	413.499	3.644	10	20	HHCD	
COC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)cn1	732114798	LVCPXHQLEZKOBO-UHFFFAOYSA-N	419.481	3.790	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c(F)cc1F	732525487	KTWFGGRNSGJDIS-UHFFFAOYSA-N	416.452	3.737	10	20	HHCD	
Cc1cc(NC(=O)CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)n(C)n1	734147371	PBAMLVHGQYUUGZ-TWGQIWQCSA-N	418.497	3.658	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	734665725	QHWCAOYENIKCSN-KRWDZBQOSA-N	404.555	3.507	10	20	HHCD	
CC(C)COc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1	735174184	UFPHVUFEVGSGKL-UHFFFAOYSA-N	416.497	3.538	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	741678570	VMKLBTGQJWFKLH-INIZCTEOSA-N	414.506	3.909	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCCSc2nccs2)cc1Br	742297176	PXWJNZXSCNEVRD-UHFFFAOYSA-N	407.380	3.675	10	20	HHCD	
CO[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	743564520	MXAMJDGZMLQYGC-KKSFZXQISA-N	417.937	3.925	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(N2CCOC2=O)c1	743569960	RHXNAQFPNNREBD-OAHLLOKOSA-N	409.486	3.788	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3c[nH]c4cc(C)ccc34)CC2)cc1	749423701	JNZFLUIOOGSLBN-UHFFFAOYSA-N	406.530	3.949	10	20	HHCD	
CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	752967634	OOUNVDIVIMFDRW-YADHBBJMSA-N	414.594	3.854	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)c(C)nc3O)CC2)cc1F	753738841	VCRKZRNKCLAMOF-UHFFFAOYSA-N	421.472	3.873	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C3(c4ccccc4C)CCOCC3)CC2)cc1F	753746382	OSTJBUVQCWSBJB-UHFFFAOYSA-N	412.505	3.540	10	20	HHCD	
CC1(C)C[C@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1	754229139	MFFFULVXNDORHS-LKKYZFDUSA-N	424.613	3.803	10	20	HHCD	
COc1ccc(OC)c([C@H](O)CN[C@H](C)c2cc(Br)c(F)cc2O)c1	756383929	LOFHEMFTWHWGHJ-BMLIUANNSA-N	414.271	3.695	10	20	HHCD	
C[C@@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1O	756784300	MALIHBWLKVTJDV-GDBMZVCRSA-N	403.320	3.854	10	20	HHCD	
Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	756811080	WAWBPMVWVDWIGY-MRXNPFEDSA-N	402.458	3.790	10	20	HHCD	
C[C@@H](NCc1ccc2c(c1)C(=O)NCC2)c1cc(Br)cc(Cl)c1O	757660231	CGHPIILEUXSNCR-SNVBAGLBSA-N	409.711	3.945	10	20	HHCD	
C[C@@H](NC(=O)Nc1cncc(Br)c1)c1ccc(N2CCOCC2)cc1	757913475	XCKXRJKQYXEHQY-CYBMUJFWSA-N	405.296	3.563	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)ccc1N1CCCCC1	758522214	JOBSLXHBPPBTDH-NFBKMPQASA-N	413.493	3.980	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1	759199790	PSJNZVFOTKDJEV-JOCHJYFZSA-N	412.603	3.512	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3csc4c3CCCC4)CC2)cc(OC)c1OC	759404510	HJLZVMOHTJBOQV-UHFFFAOYSA-N	416.543	3.615	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1nc(Cc2ccccc2)no1	759582197	ALHVUYKJDPIBNZ-CYBMUJFWSA-N	403.533	3.660	10	20	HHCD	
COc1cc(N2CCN(Cc3cnc(C4CCC4)s3)CC2)cc(OC)c1OC	761219985	QZUJJQGPCSDYKR-UHFFFAOYSA-N	403.548	3.759	10	20	HHCD	
CN(CCCCNC(=O)NCc1cccc(Br)c1O)c1ccccc1	764765512	VAANFVGIDNKZQG-UHFFFAOYSA-N	406.324	3.871	10	20	HHCD	
O=C(NCCOCC(F)(F)C(F)F)N(Cc1ccco1)Cc1ccccc1O	765646839	RGELREJBJDTQLM-UHFFFAOYSA-N	404.360	3.614	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@@H]2COC(=O)C2)c(C)n1-c1cccc(C(F)(F)F)c1	767602815	TZSMAXGBHDCGHL-CQSZACIVSA-N	423.387	3.792	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1	769138926	LHGVAPHKKFZTSI-FQEVSTJZSA-N	419.566	3.673	10	20	HHCD	
O=C(c1ccc(Br)cc1)N1CCN(Cc2cc(Cl)ccc2O)CC1	769191836	PHMQKPPQIIPMFQ-UHFFFAOYSA-N	409.711	3.766	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Cc1nccn1CC(F)(F)F	769317501	RMTCJNFFQFEYKH-UHFFFAOYSA-N	411.428	3.976	10	20	HHCD	
CCN(Cc1cccc(NS(C)(=O)=O)c1)Cc1cc(Br)ccc1O	769538197	BDZWVHKEERLFES-UHFFFAOYSA-N	413.337	3.548	10	20	HHCD	
CCn1nc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c2ccccc21	769723350	MCCDOIMSNSXQLY-GZTJUZNOSA-N	402.589	3.845	10	20	HHCD	
COc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1nccn1C	773621438	YVOCDGJJNAVSTI-IIBYNOLFSA-N	407.518	3.645	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccncc2)cc1)c1ccc(N(C)C)cc1	773845573	IELYMVKIAQPIFK-KRWDZBQOSA-N	418.497	3.543	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)NCCCSc2nccs2)CCN1C(=O)OC(C)(C)C	774910514	CFJPSMWGJFKSCJ-UONOGXRCSA-N	414.597	3.713	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1	775376445	WWQIKMJHJCFMCR-GDBMZVCRSA-N	408.502	3.881	10	20	HHCD	
CN1CCC[C@H](CN(C)Cc2cc(Br)cc(Br)c2O)C1	775653248	BCXGFAIBXGJJED-NSHDSACASA-N	406.162	3.691	10	20	HHCD	
C[C@H](NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(N(C)C)cc1	775832020	WJYDURUAGBCLNF-SFHVURJKSA-N	423.557	3.760	10	20	HHCD	
C[C@@H](NCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccc(N(C)C)cc1	775834587	AYOJJECYOJGUBI-CQSZACIVSA-N	403.527	3.746	10	20	HHCD	
CCN(C[C@H]1CCN(C(=O)NCCCSc2nccs2)C1)CC(F)(F)F	776160739	FLWIHFNXANBQLC-CYBMUJFWSA-N	410.531	3.541	10	20	HHCD	
COc1ccc(N[C@H](C)c2cc(Br)cc(C)c2O)cc1-n1nnnc1C	779050209	PIDLQORUTPKRGB-LLVKDONJSA-N	418.295	3.929	10	20	HHCD	
CCOc1ccc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(O)c1	779191363	QLCWRVHEERDJTB-MRXNPFEDSA-N	404.532	3.524	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	780056243	GIHZKENUXWKLBT-UHFFFAOYSA-N	411.836	3.571	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2	780775161	MHGXBSAMKODDQN-UHFFFAOYSA-N	411.502	3.985	10	20	HHCD	
COc1ccc(C)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782424892	FBHPCQPAPXEESI-UHFFFAOYSA-N	421.497	3.830	10	20	HHCD	
CCN(CC)Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	787880747	UMGKRZHHKRFAFS-UHFFFAOYSA-N	422.573	3.724	10	20	HHCD	
CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1	788912429	STRKWUXITZPIED-UHFFFAOYSA-N	413.949	3.650	10	20	HHCD	
Cc1ccc(CN2CC[C@H](N[C@H](C)c3cc(Br)ccc3O)C2=O)cc1	790749409	WIPIIEKIUZRRNF-KDOFPFPSSA-N	403.320	3.915	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@@H]1CSCCS1	791245725	FLQYUKNDISBXKR-QGZVFWFLSA-N	410.605	3.614	10	20	HHCD	
COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)C2)c1	792097459	QRGMPAPRJRBHNT-HSZRJFAPSA-N	423.513	3.504	10	20	HHCD	
Cc1ccc(-n2ncc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)c2C(C)C)cc1	792199510	RXUVJQVJRUFMMF-UHFFFAOYSA-N	419.529	3.625	10	20	HHCD	
Cc1nc2ccc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc2n1C	793691037	ZRKBAZAZRSXVEA-SFHVURJKSA-N	412.921	3.635	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)C1	794032990	JLJZNHVNUYFKAK-LZCIBIBXSA-N	416.518	3.607	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(-c4ccnn4C)ccc3C)CC2)cc1F	799241407	ULCYAMUULCUHFY-UHFFFAOYSA-N	423.492	3.897	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc(C)c1Cl	799518913	VIRNFINQGGHHAQ-KRWDZBQOSA-N	414.937	3.980	10	20	HHCD	
COc1ncc(/C=C\C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1	800049946	KIQPKSNSQQPKLX-LYASGUKUSA-N	400.910	3.705	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(C)c(OC)c1	800629613	VQPKUEISKKNVDO-UHFFFAOYSA-N	411.502	3.756	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@H](c3ccccc3)N(C)C)CC2)cc1	807402987	RAOGVLXXMZJZQD-AUSIDOKSSA-N	410.562	3.608	10	20	HHCD	
Cc1csc([C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C2CC2)n1	807625862	MEBIQMJSTFNBFC-IBGZPJMESA-N	414.575	3.522	10	20	HHCD	
Cc1ccc(CS(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	808288131	AGEDZYNPSGMWBL-UHFFFAOYSA-N	410.486	3.685	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnc(NC(C)=O)s3)n2)s1	808527839	PHPVDAXWFPVVRY-UHFFFAOYSA-N	414.559	3.650	10	20	HHCD	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1	814284350	RLIUQZRNNBJYJB-BOPFTXTBSA-N	416.480	3.753	10	20	HHCD	
O=c1c(Cl)c(NCc2ccc(N3CCCC3)cc2)cnn1-c1nc2ccccc2[nH]1	915211893	JNUMWSILGNYDTE-UHFFFAOYSA-N	420.904	3.975	10	20	HHCD	
CC(C)(C)c1csc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1	916669524	BWXFPPHNGFFGDK-UHFFFAOYSA-N	402.564	3.971	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc1	918112720	IVKNOEUKCVQOIY-UHFFFAOYSA-N	411.502	3.970	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCNC3CCCCC3)cc2F)C[C@H](C)O1	918154542	BCNUAAFJXRBSQD-ROUUACIJSA-N	420.573	3.551	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c1C	918593287	BRHKOSZTUZWCQW-UHFFFAOYSA-N	403.530	3.802	10	20	HHCD	
C[C@H](NC(=O)Nc1ccn(Cc2ccccc2)n1)c1ccc(N2CCOCC2)cc1	920871308	HXCWVTHAENRKJI-SFHVURJKSA-N	405.502	3.651	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3O)cc2)cc1C	109678040	CLIFMSNCAIWVRQ-UHFFFAOYSA-N	410.495	3.740	10	20	HHCD	
COc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])cc1OC	10961810	YXFZUMJRPNFUID-UHFFFAOYSA-N	413.474	3.875	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3cc(Br)cs3)CC2)cc1	303305359	NMIHQTIGSKCAPH-UHFFFAOYSA-N	409.349	3.801	10	20	HHCD	
FC(F)(F)c1ccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nn1	301945661	XDGKZPAWFGTGNM-UHFFFAOYSA-N	406.330	3.963	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1ccc2c(c1)OCCO2	302904591	XYQGWSACXMMPJT-UHFFFAOYSA-N	409.530	3.832	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)c(C(F)(F)F)c1	302948776	CJNIRUMAZLFUCZ-UHFFFAOYSA-N	410.411	3.983	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2F)CC1	303270194	FUBLJKACVAXGBB-UHFFFAOYSA-N	409.427	3.916	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)COc1ccc(Oc2ccccn2)cc1	437009032	YUTKASVRPRZUGM-UHFFFAOYSA-N	405.454	3.744	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cccc(Br)c1F	808525941	JQFAWMJAZXSWKX-UHFFFAOYSA-N	414.281	3.908	10	20	HHCD	
O=C(Nc1nccs1)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1	809183991	BAKNFUVOFRYTDW-UHFFFAOYSA-N	412.490	3.983	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1O	808707648	UOTJXQFOBJVLPX-INIZCTEOSA-N	422.978	3.999	10	20	HHCD	
CCC(CC)(CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1	807289865	LETRAWHHIGIEKG-UHFFFAOYSA-N	405.542	3.553	10	20	HHCD	
CC(C)c1noc(Cc2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)n1	801941974	DMPJVIJGOZEDKN-AWEZNQCLSA-N	410.474	3.948	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc(C(F)(F)F)c1O	815559450	HCBXGBQHQCVKSA-HNNXBMFYSA-N	421.463	3.649	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(C4CC4)n3Cc3cccs3)CC2)cc1	812360217	KSWQHBHMNSMIPL-UHFFFAOYSA-N	409.559	3.991	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cnc4c(cnn4C(C)C)c3)CC2)cc1	726696803	VFZCHVDJQOTIMY-UHFFFAOYSA-N	408.506	3.811	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3ccc(F)c(Br)c3)CC2)cc1	726562915	PSQVYRAPPGYCRF-UHFFFAOYSA-N	421.310	3.925	10	20	HHCD	
CCOc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1	728836048	RZWZUGRSPPXXAX-UHFFFAOYSA-N	403.482	3.830	10	20	HHCD	
CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	739766278	OESZGEGSQTVVCH-UHFFFAOYSA-N	422.529	3.625	10	20	HHCD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCc2cc(OC)ccc2O)c(C)c1	734072499	CVHUOWYMYBZBIT-AWEZNQCLSA-N	402.516	3.855	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2nnn(-c3cccc4cccnc34)c2C)cc1	731454472	YQYOPDNUHYRKQX-UHFFFAOYSA-N	414.513	3.900	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	735692608	KPFSXGXSMDBNTK-HSZRJFAPSA-N	408.498	3.883	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1	734060038	MMRQIVTYTWEEQM-IYBDPMFKSA-N	411.502	3.841	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(I)cc1	741055501	KXMBGDIMMSUDFO-UHFFFAOYSA-N	419.266	3.989	10	20	HHCD	
CCN(CC(=O)Nc1cc(OC)cc(OC)c1)Cc1cc(Br)ccc1O	744425413	GTCVTMUVMTYASB-UHFFFAOYSA-N	423.307	3.633	10	20	HHCD	
O=[N+]([O-])c1ccc(O)c(CNC2(c3cccc(Br)c3)CCOCC2)c1	742370231	XUARVOAMJFHHLB-UHFFFAOYSA-N	407.264	3.858	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C1CCN(CC(F)(F)F)CC1	743808978	IXDYCHGASWDLIH-UHFFFAOYSA-N	423.273	3.778	10	20	HHCD	
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(CC)CC)cc2)cc1	916502650	JGIXAMAAGWYSHB-KRWDZBQOSA-N	417.575	3.540	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc(N(C)C)c(F)c3)ccc2NC1=O	745930281	JLMITYDUOMERSU-YJYMSZOUSA-N	414.481	3.562	10	20	HHCD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801901	UIFAQWBUBWYNSY-PBHICJAKSA-N	420.504	3.602	10	20	HHCD	
O=C(CCCNC(=O)c1ccc(F)cc1F)NCc1ccc(N2CCCCC2)cc1	742476171	ZHNQVJDPGZIIGR-UHFFFAOYSA-N	415.484	3.782	10	20	HHCD	
Fc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1-n1cncn1	742385392	YSAWLJLFVNABPI-MRXNPFEDSA-N	417.435	3.766	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCN(CCCc2ccccc2)CC1	740919462	VJTSTQPEUVJWJK-UHFFFAOYSA-N	418.585	3.913	10	20	HHCD	
COc1ccc(N(C)Cc2cc(=O)n3cc(Br)ccc3n2)cc1Cl	757856461	ARTUGMGWYFDFHJ-UHFFFAOYSA-N	408.683	3.755	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	758498448	WRBITASVCIWDSN-WMZOPIPTSA-N	404.555	3.587	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CC(C)(C)OC2=O)c(C)n1-c1cccc(Br)c1	753862941	CFFAGIABCNDNLY-MRXNPFEDSA-N	405.292	3.681	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc(OC)c1OC	759927400	GVWKPQLPSMNPPB-UHFFFAOYSA-N	403.454	3.514	10	20	HHCD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	759032938	GXLBAOHEAOZGAM-UHFFFAOYSA-N	414.571	3.819	10	20	HHCD	
Cc1cc(C(=O)Cn2cc(CCO)cn2)c(C)n1-c1ccc(OC(F)(F)F)cc1	758772809	QVYDYJDDVZEJIK-UHFFFAOYSA-N	407.392	3.607	10	20	HHCD	
COc1cc(OC)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1F	755833115	SOQTVXMSNVBLLG-UHFFFAOYSA-N	405.495	3.718	10	20	HHCD	
COC(=O)c1csc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c1	751137678	UGZMGIJEHZWINM-UHFFFAOYSA-N	409.529	3.764	10	20	HHCD	
CCCN(Cc1ccc(C)cc1)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	759696119	GNIDXQOYXPBEKT-UHFFFAOYSA-N	409.574	3.702	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(F)cccc3Br)CC2)cc1F	753738221	NBZQCSNXPIMAND-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
COC(=O)c1ccc(CS(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	751138151	ZZCDZQSMGWFLLA-UHFFFAOYSA-N	417.527	3.844	10	20	HHCD	
O=C(CCCOc1ccc2c(c1)OCO2)Nc1c(-c2ccccn2)nc2ccccn12	769699907	UPOJVRMJBFIKOU-UHFFFAOYSA-N	416.437	3.923	10	20	HHCD	
CCCOc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	765982132	ZVAUZHYDEUCLEH-GOSISDBHSA-N	402.560	3.561	10	20	HHCD	
Cc1ccc(Br)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	761862989	ZZDGBBBISDYUGD-UHFFFAOYSA-N	416.319	3.613	10	20	HHCD	
COc1cc(O)c(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC	768441414	HOEGBEZQWZWJEK-UHFFFAOYSA-N	410.436	3.746	10	20	HHCD	
C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1ccc(N2CCC(CO)CC2)cc1	769686567	WBBIHQAAPVUUOM-ROUUACIJSA-N	405.583	3.677	10	20	HHCD	
COc1ccc2c(c1)CCCN2Cn1nc([C@H]2COc3ccccc3O2)n(C)c1=S	766341704	NSAFFEYMANFRFW-HXUWFJFHSA-N	424.526	3.882	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cccc1[N+](=O)[O-]	768917221	WMICHRAIIBTKEW-INIZCTEOSA-N	403.866	3.657	10	20	HHCD	
CCCOc1cccc(CCNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	771233873	IVPBYHVMBPSIHF-UHFFFAOYSA-N	411.546	3.995	10	20	HHCD	
Cc1ccc(C(=O)N[C@@H](CC(=O)NCc2ccc(O)c(O)c2)c2ccccc2)cc1	778920132	WZWPLYDLKMHWMG-FQEVSTJZSA-N	404.466	3.584	10	20	HHCD	
COc1ccc(-n2nc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2C)cc1	770712160	WRUNNUBSPSATEL-GOSISDBHSA-N	420.513	3.517	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)c3ccc(F)c(Br)c3)CC2)cc1	774613047	LXQWTANSSGWADM-HXUWFJFHSA-N	423.326	3.843	10	20	HHCD	
COc1ccc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Br	773751234	NVVCHODESJUDFF-LBPRGKRZSA-N	408.292	3.549	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(Br)ccc3F)c2)CC1	770146691	HMFCIOACPYPMQO-UHFFFAOYSA-N	406.299	3.982	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNC3c4ccccc4-c4ccccc43)cc2)CC1	779404483	LCGLRHYJTDJOOU-UHFFFAOYSA-N	404.535	3.781	10	20	HHCD	
COc1cc(O)c(CNCCC(=O)Nc2cc(Br)ccc2C)cc1OC	776174853	BXXSZFQVAAUPMO-UHFFFAOYSA-N	423.307	3.599	10	20	HHCD	
CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	783317410	RKUREOCJQOURJK-UHFFFAOYSA-N	424.545	3.785	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(CCO)C(C)(C)C2)cc1	781685529	QEYUTYYIAUVFFL-UHFFFAOYSA-N	409.534	3.697	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Oc2cccc(F)c2F)nc1	786097750	ZJLYDURABNXTKM-UHFFFAOYSA-N	401.369	3.928	10	20	HHCD	
Cc1oc2c(CN3CCC4(CC3)COC(=O)N4)c(O)ccc2c(=O)c1-c1ccccc1	784020603	IFYDTDFSDMQURN-UHFFFAOYSA-N	420.465	3.548	10	20	HHCD	
O=C(NC[C@@H]1CCCN(c2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	789314378	IWDCTQZSJHXVHE-REWPJTCUSA-N	423.557	3.999	10	20	HHCD	
Cc1cc(C)nc(-n2nccc2NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1	789311167	HKBXCSGNYAERHD-UHFFFAOYSA-N	419.533	3.933	10	20	HHCD	
COc1cc(Br)cc(CNCC2CCN(CC(F)(F)F)CC2)c1O	780549813	MMOKPXKVVGENDZ-UHFFFAOYSA-N	411.262	3.527	10	20	HHCD	
Cc1cc(C(=O)N(CCO)CC(F)F)c(C)n1-c1ccccc1Br	794053318	HQCSJYWNXLDONF-UHFFFAOYSA-N	401.251	3.556	10	20	HHCD	
CCCCCCn1nc(C(=O)NCc2ccc(OC)cc2O)c2ccccc2c1=O	794382619	DRVIDPSTECAUKC-UHFFFAOYSA-N	409.486	3.621	10	20	HHCD	
C[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1	797112429	GXSLBTJOZXBYET-KXBFYZLASA-N	403.464	3.730	10	20	HHCD	
COCCN(C)c1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	790972792	IUUQSKPUWCXASC-GOSISDBHSA-N	420.504	3.524	10	20	HHCD	
C[C@H](NC(=O)NC[C@H]1CCC2(CCCCC2)O1)c1ccc(N2CCOCC2)cc1	790249019	JEUDXZZYXUNZTR-GHTZIAJQSA-N	401.551	3.765	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n1	795605810	JKGBEBIRWJQARP-UHFFFAOYSA-N	421.456	3.536	10	20	HHCD	
Cc1ccccc1C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	793682581	VPLBFXBXGWLWIP-HXUWFJFHSA-N	407.558	3.691	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(Cl)nc(N4CCCC4)c3)CC2)cc1	1319859105	PKYJMNSUZJFRFE-UHFFFAOYSA-N	414.937	3.696	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)c(C)n1-c1cccc(C(C)C)c1	1318561650	DCIIWAMYPQUNCL-FQEVSTJZSA-N	405.546	3.960	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2ccccc2)cc1	1320271248	DLLWLGSGUOWYAF-FQEVSTJZSA-N	405.450	3.669	10	20	HHCD	
COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1320126607	JDCCLYIJLUMBGN-VQIMIIECSA-N	404.894	3.540	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1	51784255	DBJFHPZYFBJJML-UHFFFAOYSA-N	404.470	3.537	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1	65561352	ZPJUIFRNFHIBNQ-INIZCTEOSA-N	408.477	3.647	10	20	HHCD	
CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(C(C)C)cc3)cc2F)CC1	303296128	LXSNHJGQJNRSOO-UHFFFAOYSA-N	419.566	3.570	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(Cc3ccncc3)cc2)n(C)c2ccccc12	472789653	ONUJOPUPRNPDFL-UHFFFAOYSA-N	412.493	3.727	10	20	HHCD	
Cn1cc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)c(C2CCCCC2)n1	543116735	IXPLHFDZCUWACA-RVDMUPIBSA-N	404.470	3.820	10	20	HHCD	
CCOc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c(O)c1	725842072	ZTGBQLYCFQZUPM-MRXNPFEDSA-N	406.548	3.672	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)n1cnc2ccccc21	729352409	POFBRCBHSBZDPQ-NQIIRXRSSA-N	406.530	3.871	10	20	HHCD	
COC(=O)c1ccc(CCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731115750	HKQONJOPQXXKFO-UHFFFAOYSA-N	409.530	3.751	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)c1	734015486	NNVBJZYTGAOCSC-UHFFFAOYSA-N	400.866	3.688	10	20	HHCD	
Cc1cc(CC(=O)NCCCOC2CCOCC2)c(C)n1-c1ccc(Cl)cc1	741603860	JVZULXGDQZAFFD-UHFFFAOYSA-N	404.938	3.992	10	20	HHCD	
COc1cc(N(C)Cc2cn3cc(Br)ccc3n2)cc(OC)c1OC	741798724	KMJAFQMOKURFNT-UHFFFAOYSA-N	406.280	3.759	10	20	HHCD	
COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cn1	743045629	REYYWCCGEMOKTJ-UHFFFAOYSA-N	418.525	3.867	10	20	HHCD	
O=C(c1ccc(OC2CCOCC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	743339781	YKMRQWWEWSSHHE-QFIPXVFZSA-N	411.498	3.771	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(=O)c2ccccc2o1	743808850	HNRJGOAQPBVISS-UHFFFAOYSA-N	402.244	3.923	10	20	HHCD	
O=C(Nc1cccc(Cl)c1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743974733	GKXJYRUBHITSGN-OAHLLOKOSA-N	423.847	3.665	10	20	HHCD	
COCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)c1ccc(OC)c(OC)c1	746477540	AGECJRJSSMOEEL-UHFFFAOYSA-N	422.909	3.766	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc(N(C)C)c3)cc2F)C[C@H](C)O1	748468305	YSGKYXOKNIMFJH-IRXDYDNUSA-N	414.525	3.505	10	20	HHCD	
CC(C)Cc1ccc(CCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	751664284	MWCUMLIPRRYMHN-QHCPKHFHSA-N	421.585	3.836	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3cccc(F)c3)cc2F)C[C@@H](C)O1	753796370	WUUUGIGIOIDVJF-GASCZTMLSA-N	406.498	3.987	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCc3c(C)[nH]c4ccccc34)CC2)cc1F	753892738	DICDTHUSBIHJLV-UHFFFAOYSA-N	410.493	3.698	10	20	HHCD	
CC[C@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1c(C)noc1C	754536009	BLNPAXQLFHOQSI-SFHVURJKSA-N	417.465	3.746	10	20	HHCD	
C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)c(F)cc1O	756674473	VKGUTHIUAKVDOR-PXAZEXFGSA-N	407.283	3.746	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1	763055743	OIRGYTFKWBABRV-UHFFFAOYSA-N	416.566	3.685	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccnc1OCC(F)F	764516427	YGAHLPCNOXKBBE-UHFFFAOYSA-N	406.477	3.912	10	20	HHCD	
O=C(Nc1ccc(F)c(F)c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769594589	TVQUPNBDVRBJGD-UHFFFAOYSA-N	410.423	3.785	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@H]2CCCc2ccccc2)c1	770086967	ARTFIDJFYCFNTN-IBGZPJMESA-N	416.543	3.781	10	20	HHCD	
O=C(CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1)Nc1ccccc1F	770379935	KRBWNJDMJGZYMN-UHFFFAOYSA-N	412.292	3.594	10	20	HHCD	
C[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771054726	VULSDGCJEFFEBE-RHSMWYFYSA-N	406.885	3.733	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1	771658826	WGWVQBHLTUZBQT-IBGZPJMESA-N	410.606	3.973	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3nn(C(C)C)cc3c2)cc1	774146044	SLYZZIUPKBFATA-UHFFFAOYSA-N	407.518	3.718	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cccc(Sc2ccccc2)c1	774363744	LQSNMNLXBHWLOS-UHFFFAOYSA-N	408.479	3.546	10	20	HHCD	
CC(C)[C@@H](CNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	775256438	XZKHPRXKOYXBTJ-HYBUGGRVSA-N	409.574	3.730	10	20	HHCD	
CCN(CC)C(=O)COc1ccc(NCc2cc(OC)c(OC)cc2O)cc1Cl	775746644	KTKQKNLWKCBFLU-UHFFFAOYSA-N	422.909	3.922	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(OCc2cn3ccccc3n2)cc1	779514379	LJDAVDNTIFFNKL-VZUCSPMQSA-N	401.422	3.976	10	20	HHCD	
CC(=O)c1ccc(S(C)(=O)=O)c(N(C)Cc2ccc(N3CCCCC3)cc2)c1	782262172	ZFEJUTDXPWPIQO-UHFFFAOYSA-N	400.544	3.919	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@H](c3ccccc3)C3CCOCC3)CC2)cc1	782762122	VATHBGDFOHPKNO-RUZDIDTESA-N	409.574	3.575	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ncsc1-c1ccccc1	783638127	MALWXNSGVPAEPZ-UHFFFAOYSA-N	407.539	3.949	10	20	HHCD	
COC(=O)c1cncc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)c1	788545084	QCMZECDUSDHDPX-UHFFFAOYSA-N	417.512	3.916	10	20	HHCD	
C[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1cccc(C(F)(F)F)c1O	788750651	OKVLDVKFHYTKPY-CYBMUJFWSA-N	414.449	3.802	10	20	HHCD	
COc1ccc(N(C)Cc2ccc(Br)cc2N2CCOCC2)cc1OC	789533029	WZOKIXVOTVRIFO-UHFFFAOYSA-N	421.335	3.939	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1	790688409	DEICKZXZVQZBKA-QHCPKHFHSA-N	422.573	3.784	10	20	HHCD	
COC(=O)c1nc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C	792178994	MIQFKECRCNEUBX-SUMWQHHRSA-N	416.547	3.912	10	20	HHCD	
CN(C)c1ccc(CNCc2ccccc2CN2CC[C@H](O)C2)c(C(F)(F)F)c1	793064387	CGYBLSAOBLOUNI-FQEVSTJZSA-N	407.480	3.628	10	20	HHCD	
C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	796544944	GJBKVBOQPZZTOU-IBGZPJMESA-N	405.542	3.803	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@H]1CCCN1C1CCCCC1	798105264	XVALYOGFXFDZEZ-MRXNPFEDSA-N	410.356	3.751	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccnc(OC2CCOCC2)c1	802152054	NFAZAZKCQYLRAN-UHFFFAOYSA-N	413.518	3.857	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c(C)c1	803677565	QXPVEXXBAKPJOV-UHFFFAOYSA-N	423.557	3.705	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(F)cc1F	803688032	UNSWZIXSJOPZFA-FQEVSTJZSA-N	415.484	3.621	10	20	HHCD	
C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc(N2CCCC2)cc1	806433705	PCPGFIJMYMGTJU-QGZVFWFLSA-N	408.550	3.822	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCc1cccc2ccccc12	807100671	OKQFXWAWOJONAZ-UHFFFAOYSA-N	403.526	3.532	10	20	HHCD	
CNC(=O)c1cc(Oc2cccc(NC(=O)NCc3ccc(N(C)C)cc3)c2)ccn1	813833661	NSVSYXHCFWJTBL-UHFFFAOYSA-N	419.485	3.621	10	20	HHCD	
O=S(=O)(Cc1ccc(C(F)F)cc1)NCc1ccc(N2CCSCC2)cc1	814992484	FXQBXACWLKXZAS-UHFFFAOYSA-N	412.527	3.797	10	20	HHCD	
Cc1sc(-c2ccco2)nc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	913309710	WDAZIKGZEXFQGS-UHFFFAOYSA-N	413.499	3.593	10	20	HHCD	
CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cc1	917885201	CYCJHQUKKSIWEV-UHFFFAOYSA-N	415.540	3.598	10	20	HHCD	
CCN(CC)Cc1ccccc1CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1	918006268	GQIUDXBZVQADGV-UHFFFAOYSA-N	424.589	3.959	10	20	HHCD	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1	918195826	DNRNIMVQFDXGRD-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC	918227569	UZNMIAMJFZAGLY-UHFFFAOYSA-N	401.507	3.510	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	918294288	PBWZOHJMRDTJPC-UHFFFAOYSA-N	408.454	3.940	10	20	HHCD	
Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1I	918371009	AOPXTGLKKUVHOG-UHFFFAOYSA-N	422.266	3.689	10	20	HHCD	
CCO[C@@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1	920225595	FMYQEKHIJVNBCI-IZCBMXNHSA-N	424.613	3.757	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc(F)c(I)c1	1117507203	DBMQVMZKYCSMAB-UHFFFAOYSA-N	417.565	3.872	10	20	HHCD	
CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1	1318239682	ACWNMPJRQQZNAW-UHFFFAOYSA-N	415.540	3.809	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)c1ccc(Cl)cc1	1318661951	URGNWAJBHCOLTA-UHFFFAOYSA-N	408.876	3.957	10	20	HHCD	
COc1cccc2cc(CNC(=O)NCc3cccc(Br)c3O)oc12	1321980044	PJWHCLFQZAYWRR-UHFFFAOYSA-N	405.248	3.909	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2Br)cc1	1342948187	AIRAXWCCRTWNLX-UHFFFAOYSA-N	409.236	3.546	10	20	HHCD	
COc1ccc(OC)c2c1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C[C@H]2O	302769821	VSOCOYFKHKRXQC-HXUWFJFHSA-N	406.482	3.801	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCSc1ccccc1Cl	1342434937	QAOYCGSBYZMLSW-HNNXBMFYSA-N	423.918	3.524	10	20	HHCD	
O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OC(F)F	301363052	OYLGYPYYDDAVRD-UHFFFAOYSA-N	411.380	3.909	10	20	HHCD	
OC[C@@H]1CCCN(c2cc(N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)ncn2)C1	301229989	HEXIEMDMVQBOJU-MRXNPFEDSA-N	407.493	3.599	10	20	HHCD	
COc1ccc(N2CCCN([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1	97494617	XEYQWCMPSIRDIQ-YHLJFGAHSA-N	411.590	3.681	10	20	HHCD	
CCN(C(=O)Cc1occc1C(=O)N(CC)c1cccnc1C)c1cccnc1C	439232343	JWJBMLOCHJJRPQ-UHFFFAOYSA-N	406.486	3.949	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccccc1C(F)(F)F	248029738	HUCQDUJYCZBAJE-UHFFFAOYSA-N	408.420	3.579	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCC(NC(=O)CC2CCCC2)CC1	437004648	DRSHCNBYHSRSNK-UHFFFAOYSA-N	413.562	3.733	10	20	HHCD	
Fc1cc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)ccc1N1CCOCC1	800310622	CPFQNJKNESWURS-QFIPXVFZSA-N	404.913	3.807	10	20	HHCD	
C[C@H](N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	800506212	QMGMFFDSZGUAJM-WMZHIEFXSA-N	421.516	3.916	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(OC(F)F)cc1F	801868910	MLNDXOAUDMTIBM-UHFFFAOYSA-N	423.435	3.958	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(OC(F)F)cn3)ccc21	470397967	MVNATVLHWVCUJO-UHFFFAOYSA-N	403.429	3.831	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@H](c1ccccc1)N(C)C	807403328	YVBZGYSEGYBMEE-CXAGYDPISA-N	406.324	3.645	10	20	HHCD	
O=C(Nc1ccn2ccnc2c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	810232146	VRXQTKVYPRCFBU-UHFFFAOYSA-N	401.417	3.726	10	20	HHCD	
COCCN1[C@H]2CC[C@H]1CC(N(C)Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)C2	816660197	SPQWLPCVGKEHPM-PMACEKPBSA-N	416.566	3.659	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)cc2F)C[C@@H](C)O1	811865215	WBKDCEQXSDFNJX-GQSCTRQFSA-N	419.541	3.538	10	20	HHCD	
CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)c(F)cc1O	816513200	JPRIMGNGKVGICQ-UHFFFAOYSA-N	404.791	3.952	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(C)nn(-c4ccccc4)c3n2)c1	728983389	ZGPRUCJONWAADV-AWEZNQCLSA-N	402.454	3.934	10	20	HHCD	
Cc1cccc(C2(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CCCC2)c1	726753679	DTDKVHDQRGWMPJ-OAQYLSRUSA-N	419.569	3.825	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c2c(c1)C[C@H](C)O2	727864881	YSEBYHJYFYTSIY-FHXOWUIVSA-N	412.536	3.858	10	20	HHCD	
O=C(NCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1Cl	733328858	FTDLSAUWWKDPAG-UHFFFAOYSA-N	416.909	3.758	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2OC)cc1F	731408669	BCHYMNCFKGEBMZ-UHFFFAOYSA-N	407.873	3.589	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)c1O	736994948	XTCWXYPEBDUHCW-UHFFFAOYSA-N	401.463	3.747	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1OC	915222786	ZIBGPRLANDULAB-UHFFFAOYSA-N	406.485	3.637	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(F)ccc3C)n2)cc1	915290321	LFZCVXZQSPTAFH-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(Cl)cc3)C(C)C)nc12	917083464	YOTVEECRAVYVFJ-SFHVURJKSA-N	402.882	3.752	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cc(Br)ccc1F	748808210	FEALRJPOIRMIGG-UHFFFAOYSA-N	413.312	3.667	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Br)c1	918303871	LXJUUAUATVKSFQ-UHFFFAOYSA-N	404.308	3.502	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	745779567	ORMHBWAEXAKFAS-YKSBVNFPSA-N	422.573	3.500	10	20	HHCD	
CCN(CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	916198955	SJUBSIBYDHHFAS-QFIPXVFZSA-N	411.546	3.999	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1F	745393790	BXJOIHIEVVZISI-OAQYLSRUSA-N	408.477	3.732	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)cc1Cl	918434562	PUSTVGYQVPGSFE-UHFFFAOYSA-N	403.910	3.840	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)ccc1OC	740605099	LNMUKRVTTZOEMC-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(N2CCCC2=O)c1	746724427	FHVXEOOXZOJLMO-KRWDZBQOSA-N	406.530	3.756	10	20	HHCD	
CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	747093672	WOEHPPWEDNNUSQ-JOCHJYFZSA-N	408.458	3.842	10	20	HHCD	
CCn1cc(C(=O)C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1	758860946	QBZYFZCORBLAFZ-UHFFFAOYSA-N	405.414	3.683	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(Cc2ccccc2)no1	752996344	HYOREYVOAFJMBG-KRWDZBQOSA-N	403.486	3.597	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)CS(=O)(=O)c1ccccc1	752704399	NCKUNJCBLZVBFC-SFHVURJKSA-N	404.532	3.566	10	20	HHCD	
Cc1cc(OCC(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)no1	921193391	NCTDFKDUBUGKOM-UHFFFAOYSA-N	422.349	3.649	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)ccc1I	750716760	XCMBHYKFZJRWPR-UHFFFAOYSA-N	412.246	3.769	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2ccccc2S(=O)(=O)NC(C)(C)C)c2c(O)ccc(F)c21	756467444	VLJXBIACXHZKPM-CZUORRHYSA-N	406.523	3.946	10	20	HHCD	
C[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)cc(F)c1O	756470376	PIWJQSMLAAQVPP-SNVBAGLBSA-N	417.300	3.516	10	20	HHCD	
COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1	753917822	BKEMMVHNWZXULQ-UHFFFAOYSA-N	404.425	3.737	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1	751931193	ORZGKBSILIFIPA-UHFFFAOYSA-N	419.865	3.904	10	20	HHCD	
C[C@H]1CN(c2ccc(CN3C(=O)[C@@H](c4ccccc4)N(C)C3=O)cc2F)C[C@@H](C)O1	761094894	ZOYJMNPYYCOUJX-VWKPWSFCSA-N	411.477	3.575	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	765383504	ZDEZDXLLFNSRQU-SFHVURJKSA-N	401.576	3.778	10	20	HHCD	
COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	768198195	XUNUONSTLQQBPL-HNNXBMFYSA-N	405.450	3.912	10	20	HHCD	
CN(C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1)C(=O)OC(C)(C)C	768914908	JVZDCGSRYHJDAO-IBGZPJMESA-N	421.557	3.741	10	20	HHCD	
COC(=O)c1c(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)sc2c1CCC2	869872377	CUICRJPKDRXAOD-UHFFFAOYSA-N	423.466	3.909	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c[nH]c3nccc(Cl)c23)cc1	769639675	SKRZEUOXHWWZGZ-UHFFFAOYSA-N	404.923	3.636	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cn1C	760599441	BPKNLCPJGPUZKU-UHFFFAOYSA-N	419.528	3.743	10	20	HHCD	
CN1C(=O)N(CCCSc2nccs2)C(=O)[C@@H]1c1cc(F)c(F)c(F)c1	761300941	SZNOETXYOZAPDZ-ZDUSSCGKSA-N	401.435	3.678	10	20	HHCD	
CNC(=O)c1ccc(CN(Cc2cc(Br)cc(C)c2O)C2CC2)cc1	775649599	MCWLTNIUBANSNQ-UHFFFAOYSA-N	403.320	3.987	10	20	HHCD	
CC[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1NC(=O)OC(C)(C)C	775716484	BJDCEUFKFTVUEQ-RBBKRZOGSA-N	416.610	3.564	10	20	HHCD	
COc1c(Br)cccc1/C=C1\SC(=S)N(Cc2ccon2)C1=O	773900612	RTMSEAAHOOCUSY-GHXNOFRVSA-N	411.302	3.847	10	20	HHCD	
C[C@H](NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc(N(C)C)cc1	773022005	CUAAQFJTXLXLBH-ZDUSSCGKSA-N	403.408	3.843	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1O	775108264	DGZOAGNFHGNOBL-ZDUSSCGKSA-N	412.273	3.984	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(CNCc2cc(Cl)cc(F)c2O)cc1	776053874	IMWDBAMWBPEFGV-UHFFFAOYSA-N	400.903	3.503	10	20	HHCD	
Cc1ccn(CC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(=O)c1	773712636	SKKHUKGBCYUCBX-UHFFFAOYSA-N	404.426	3.754	10	20	HHCD	
COc1ccc([C@@H](CNCc2ccc([N+](=O)[O-])c(OC)c2O)N2CCCCC2)cc1	774942309	KKTWMAUEELJPJE-HXUWFJFHSA-N	415.490	3.634	10	20	HHCD	
CCCC[C@@H](NCc1cc(Br)cc(Br)c1O)C(=O)OC	775980560	REIGQBUTPOMUMW-GFCCVEGCSA-N	409.118	3.739	10	20	HHCD	
Cc1cc(Br)cc(CNCc2ccc(C(=O)N3CCCC3)cc2)c1O	775768667	UJZIBIFTSSTNSJ-UHFFFAOYSA-N	403.320	3.989	10	20	HHCD	
Cc1nc2cc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc2o1	774127602	WDJIOIZWPGCBFW-UHFFFAOYSA-N	406.486	3.724	10	20	HHCD	
CCN(Cc1cnn(C)c1)Cc1cc(Br)cc(Br)c1O	775662136	UWXFLZBFWPELNP-UHFFFAOYSA-N	403.118	3.673	10	20	HHCD	
CCOCc1cc(CN[C@H](C(=O)OC)c2ccc(Br)cc2)ccc1OC	779175983	YWHWPKDPZRJIOZ-IBGZPJMESA-N	422.319	3.998	10	20	HHCD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	789554955	XUPZTTAQSFRNDJ-UHFFFAOYSA-N	422.485	3.563	10	20	HHCD	
O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	789761298	DZZLADJOYQVSPD-UHFFFAOYSA-N	400.469	3.896	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)Cc2ccccc2O)c([N+](=O)[O-])c1Br	786797493	WUTJYLKFOLIQLR-UHFFFAOYSA-N	412.196	3.616	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl	785305504	YVBIZRZRFRLLLA-MRVPVSSYSA-N	417.676	3.744	10	20	HHCD	
COc1cc(/C=C(\C(=O)OCC(=O)c2ccc(O)c(O)c2)c2ccccc2)ccc1O	782942107	LYERUHGUKPJKET-WQRHYEAKSA-N	420.417	3.779	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(C)cc(F)c1	785192409	LQLJBHMUKYCWOK-UHFFFAOYSA-N	409.255	3.589	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc2c1OCCO2)c1ccc(N)cc1	783486606	PUHTVASMRPYWPT-INIZCTEOSA-N	417.465	3.773	10	20	HHCD	
COc1ccc(CNC(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc2)c(O)c1	794388618	YLMOIFTVWVCQAJ-NDENLUEZSA-N	405.450	3.972	10	20	HHCD	
CC(C)(C)[C@H]1CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1	790702095	PBHFAYHAROWCCM-GOSISDBHSA-N	411.493	3.713	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1c(F)cc(F)cc1Br	797649393	ZEFYFWUBKBEMOE-MRVPVSSYSA-N	401.207	3.891	10	20	HHCD	
CCN1CCN(C[C@H](C)CNCc2ccc3c(c2)CCN3Cc2ccccc2)CC1	796285342	QYLQPEBZCOHAIY-JOCHJYFZSA-N	406.618	3.613	10	20	HHCD	
COc1cccc(CN2CCN(Cc3cc(Br)ccc3F)CC2)c1O	798962763	YSXHGNQICYPMAW-UHFFFAOYSA-N	409.299	3.620	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1cccc(N2CCCC2)c1	55462346	ZSXCDLBDJWHBLA-UHFFFAOYSA-N	415.559	3.924	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCOc3ccccc3F)CC2)cc1	110469939	SMWFMUDPFVQSPF-UHFFFAOYSA-N	401.482	3.571	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)c3cc(F)ccc3OC)CC2)cc1	726612243	ZTNNNAMGOIWCRT-OAHLLOKOSA-N	401.482	3.872	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc(Cn4cccn4)c3)CC2)cc1	726699048	SZIYMQRCMXBFFC-UHFFFAOYSA-N	405.502	3.731	10	20	HHCD	
CO[C@H](C)c1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	727037183	JSULYQFOELWZHZ-MRXNPFEDSA-N	408.454	3.860	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)[C@H]2CCOC2)sc(C)c1-c1ccccc1	730265421	UMMCMQYYFUOEIV-INIZCTEOSA-N	402.516	3.559	10	20	HHCD	
O=C(OCC[C@H]1CCCCN1C(=O)c1cc(O)cs1)c1cccc([N+](=O)[O-])c1	732274198	MTPDDCOWNRRYCM-CQSZACIVSA-N	404.444	3.604	10	20	HHCD	
COC(=O)c1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c(OC(F)F)c1	732439106	ZWXUVRZMPLLCPB-UHFFFAOYSA-N	411.380	3.601	10	20	HHCD	
O=C(COC(=O)c1cc(O)cs1)Nc1cccc(CSc2ccccn2)c1	733496758	NDXUMSXYJWNIAM-UHFFFAOYSA-N	400.481	3.937	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(N=c4cc[nH]cc4)cc3)CC2)cc1	735856666	IWTRSKIDGVOYQJ-UHFFFAOYSA-N	402.498	3.655	10	20	HHCD	
CCN(CC(=O)Nc1cccc(NC(C)=O)c1)Cc1cc(Br)ccc1O	743870789	BAJIDRXWMHHPMC-UHFFFAOYSA-N	420.307	3.574	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H]1CCN(c2ccccc2F)C1=O	743873696	RLWXQNLIUWICRD-KRWDZBQOSA-N	407.283	3.921	10	20	HHCD	
C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1cccc(F)c1	744473382	DGYNUNCUTBEXGF-ZDUSSCGKSA-N	417.392	3.785	10	20	HHCD	
Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@@H](C)CO1	745747493	VVBJRUSIMKUFRU-CVDCTZTESA-N	409.530	3.503	10	20	HHCD	
C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	746758680	NZJGXNQXUOMHTA-WIYYLYMNSA-N	411.521	3.825	10	20	HHCD	
O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OC1CCC1	747771259	WHUBSQYTCNFNDZ-JYRVWZFOSA-N	412.330	3.746	10	20	HHCD	
O=C(NCc1ccccc1O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1	748346648	QYIPDMYJYUHTMU-OAHLLOKOSA-N	407.297	3.868	10	20	HHCD	
C[C@@H](SCc1ccccc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	748882930	FUJVVYXQHLTROZ-QGZVFWFLSA-N	400.544	3.576	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1	748980229	IOJXVUQCGIRMHM-UHFFFAOYSA-N	413.493	3.858	10	20	HHCD	
C[C@@H](CCc1ccco1)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751058478	ANVAMCMNMVXQFY-ZDUSSCGKSA-N	420.512	3.599	10	20	HHCD	
CC(C)[C@@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1	751930634	GVMALWKOYXASKC-JOCHJYFZSA-N	423.538	3.986	10	20	HHCD	
Cc1ccc([C@@H](CN[C@@H](C)c2cc(Br)ccc2O)N2CCOCC2)o1	756363397	GFLVUEUWPMHAHR-WMLDXEAASA-N	409.324	3.780	10	20	HHCD	
C[C@@H](Cn1ccnc1)N[C@H](C)c1cc(Br)cc(Br)c1O	756405375	ZSCFXOFZNCPURN-VHSXEESVSA-N	403.118	3.853	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(F)cc(F)c3OC)cc2F)CC1	761685277	FFKNBVJXBZKJEK-UHFFFAOYSA-N	422.451	3.576	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cc2c(cc1O)CCCC2	763561105	CNJAVNLEWNVMOP-MRXNPFEDSA-N	400.544	3.662	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@H](Nc4ccccc4)C3)CC2)cc1	764353244	NXKKMPLZKXQJKG-NRFANRHFSA-N	408.546	3.950	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc(CNC(=O)OC(C)(C)C)no3)ccc21	766910088	VIZSLPZZGOMHPA-UHFFFAOYSA-N	400.479	3.979	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(O)c(Br)c1	767230324	FARRIVAEXYOJDV-UHFFFAOYSA-N	406.324	3.952	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	769562546	FREAVQZNKCUCDE-GAJHUEQPSA-N	420.553	3.887	10	20	HHCD	
O=C(NCc1ccc2c(c1)COC2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	770042050	NMNQOLRZZSGTQE-SFHVURJKSA-N	417.456	3.786	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Cl)c2ccccc2n1	774015383	XZZQKUVDVMCWDR-UHFFFAOYSA-N	413.880	3.918	10	20	HHCD	
C[C@H](NC[C@@H](O)c1ccccc1Br)c1ccc(N2CCOCC2)cc1	775259273	QPUQRRZDQAZHNN-MGPUTAFESA-N	405.336	3.670	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccccc3F)C3CCCC3)nc12	775538161	HWWOOSQZIPFPOL-HXUWFJFHSA-N	412.465	3.772	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H](C1CCCC1)C(F)(F)F	775774392	KBGNYMJUMIVIOT-IBGZPJMESA-N	413.484	3.816	10	20	HHCD	
CCOC(=O)CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C)c1ccccc1	777439420	GKWGXTHRAQKJGE-GOSISDBHSA-N	400.494	3.789	10	20	HHCD	
COc1cc(N2CCc3c(ncn3CCc3ccccc3)C2)c([N+](=O)[O-])cc1OC	779426959	QFDFPSNDKHPTAD-UHFFFAOYSA-N	408.458	3.614	10	20	HHCD	
Cc1nc2cc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc2s1	781498755	BORUNHYZIZRNCU-UHFFFAOYSA-N	400.479	3.902	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	782548125	WLRYWFCPOGGPMJ-QZTJIDSGSA-N	407.530	3.588	10	20	HHCD	
COC(=O)CCCc1nnc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1	782781470	RLPWOMXRBJTJNB-UHFFFAOYSA-N	419.551	3.542	10	20	HHCD	
O=C(Cc1csc(-c2ccc(Cl)s2)n1)OCC(=O)c1ccc(O)c(O)c1	783176333	GGUDTOYCRVGKIX-UHFFFAOYSA-N	409.872	3.905	10	20	HHCD	
CCN(Cc1ccc(OCC(=O)OC)cc1)Cc1cc(Br)ccc1O	783492866	AEGAVQQMZJZJDT-UHFFFAOYSA-N	408.292	3.729	10	20	HHCD	
CN(C)CCOc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	784061621	RCMINVARWLVHRV-UHFFFAOYSA-N	424.545	3.514	10	20	HHCD	
C[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1cccc(C(=O)c2ccccc2)c1	784426907	JJVLSVYZBNDPHB-OAHLLOKOSA-N	404.418	3.858	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)nnn1Cc1ccc(F)cc1	784937717	MMUDUTQXSBUFMI-UHFFFAOYSA-N	421.520	3.948	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)C[C@H](C)c3c[nH]c4ccccc34)CC2)cc1	784937955	OMRRWQCKHYVZPV-IBGZPJMESA-N	420.557	3.609	10	20	HHCD	
CC(C)c1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	787343339	VNRPGMRIBNWVPJ-UHFFFAOYSA-N	406.482	3.954	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)Oc1cccc(F)c1	791249894	KTMJBAQBZPHYKE-INIZCTEOSA-N	416.493	3.982	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(I)c(C)cc2C)c1	793687730	AVDKRFCWVGYEDF-UHFFFAOYSA-N	411.239	3.552	10	20	HHCD	
COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1	795554570	OBEYFCBZMFPCRR-UHFFFAOYSA-N	408.476	3.905	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c(O)c1	797620401	HLUGNRYPTAPHBW-UHFFFAOYSA-N	417.465	3.925	10	20	HHCD	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)C1	798367053	SDAOVMUGWHMIAF-GFRNBQLOSA-N	417.619	3.711	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1Oc1ccncc1	801163484	VITBAMCINSYHDB-UHFFFAOYSA-N	421.472	3.904	10	20	HHCD	
Cc1nc2cccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2[nH]1	801913316	SOLLWKOUESXBGD-CQSZACIVSA-N	400.429	3.872	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1F	803665106	WSRYKLHNGVVKGJ-HXUWFJFHSA-N	417.912	3.819	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CCCc2sccc21	804384341	ATYGQEIGJNUFCL-HXUWFJFHSA-N	411.571	3.891	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)c1ccc(F)cc1F	805316047	GODBKVUFXFDZKM-OAHLLOKOSA-N	404.457	3.719	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](C3CC3)C(F)(F)F)cc2F)C[C@@H](C)O1	806457441	MGXUWJFPZQWHTR-JKDFXYPNSA-N	403.420	3.579	10	20	HHCD	
CC[C@H]1CCCC[C@H]1c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	809464800	LSOGDPSYSTXFLN-FXAWDEMLSA-N	412.534	3.653	10	20	HHCD	
CC(C)(C)c1cc(CN2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(O)c(C(C)(C)C)c1	809704662	HYHHOKPUYOPRDP-OSPHWJPCSA-N	415.578	3.940	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1	813242454	QIHLJQYIACAXCU-QGZVFWFLSA-N	410.518	3.995	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	814107805	UNLCLZRAMOMTPF-PMOLBWCYSA-N	401.551	3.603	10	20	HHCD	
Oc1cc(F)c(Cl)cc1CNc1cnc(N2CCOCC2)c(Br)c1	816599405	LLHZSOSCHOQGEA-UHFFFAOYSA-N	416.678	3.791	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(C)[C@H]2CCCc3ccccc32)c1	818260346	XIAQKEFEHAYLBW-DEOSSOPVSA-N	408.542	3.936	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(C(=O)NCC(C)C)CC3)c2C)cc1	881450103	SFVTUGGRZBXJCB-UHFFFAOYSA-N	411.546	3.727	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1nnc2ccccn12	915749502	WXQOPCSAKLFTSV-OAHLLOKOSA-N	413.441	3.961	10	20	HHCD	
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2O)c1	917309362	PIYWABPMLCDKQD-UHFFFAOYSA-N	424.522	3.880	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	917361378	HJWVCTDLCBWJOO-OAHLLOKOSA-N	412.873	3.986	10	20	HHCD	
COc1ccc(N2CCCN(C(=S)NCCSc3ccccc3)CC2)cc1	917595505	VFSUNVQYFNNWHN-UHFFFAOYSA-N	401.601	3.874	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1OCC	918304296	OCVLBUZVRXYKJK-UHFFFAOYSA-N	413.518	3.537	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1	918308829	ADUBPRSCDCZMJN-UHFFFAOYSA-N	411.502	3.637	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2	919568920	PFKSIEZPMWGFQD-UHFFFAOYSA-N	412.467	3.722	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3cn(C)nc3-c3ccncc3)SC2=S)cc1	920065515	ZPUCQCCUHUZGTN-LDADJPATSA-N	421.551	3.954	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(N3CCCC3)cc2)cc1	1321653572	MYMLALDIITZQDG-UHFFFAOYSA-N	401.576	3.607	10	20	HHCD	
O=C(NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3F)cc2)CCC1)c1cc(O)c(O)c(Cl)c1	1786587063	DPHNQIGVGSMCBE-ZBFHGGJFSA-N	418.852	3.857	10	20	HHCD	
O=C(CC1CCCC1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1787614530	ROIBTRCEQXDCRA-UHFFFAOYSA-N	409.486	3.821	10	20	HHCD	
CCCN(CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1ccccc1O	111087343	UQPAEYKKPNOFJL-NRFANRHFSA-N	412.530	3.985	10	20	HHCD	
C[C@@H](NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Cl)cc1	302833121	LNMRBZCOGPGRAY-UZLBHIALSA-N	402.922	3.904	10	20	HHCD	
CC(C)(C)S(=O)(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)cn1	301557716	HXMIHJJNGIOKRM-UHFFFAOYSA-N	405.589	3.819	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](Cc3nc[nH]n3)c3ccccc3)ccc21	506356657	OUTQNGGCZLJXMI-NRFANRHFSA-N	417.513	3.736	10	20	HHCD	
Cc1c(CNC(=O)NCc2cccnc2OCC(F)(F)F)n(C)c2ccccc12	471592616	GPKKPDZGTQBAIJ-UHFFFAOYSA-N	406.408	3.822	10	20	HHCD	
CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1	806846300	JEDRRBJZZWCMTI-OAQYLSRUSA-N	414.550	3.653	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2ccccc2SCc2c(C)noc2C)C[C@H](C)[S@@]1=O	804438403	QOPKVKNOSXDFQF-LTUDEVEQSA-N	406.573	3.955	10	20	HHCD	
COc1ccc(CNc2ncnc(CC(C)C)c2I)c(O)c1	804681857	GQNQHMKFRMSRCA-UHFFFAOYSA-N	413.259	3.606	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1O	806131018	GNIPMLZQUIELAS-OXQOHEQNSA-N	401.938	3.988	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)c1nccn1-c1ccccc1)c1ccc(N2CCOCC2)cc1	804988367	BFADKPOHFDFCIN-OALUTQOASA-N	419.529	3.830	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)n(C)c2ccccc12	472778965	OVDMDSWIEPGKOY-UHFFFAOYSA-N	421.888	3.581	10	20	HHCD	
CCC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800050117	NMRGHLLGJNVWQJ-OXQOHEQNSA-N	405.970	3.984	10	20	HHCD	
CCc1cnccc1[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	809519793	UUBBJRPCWYLROY-QGZVFWFLSA-N	409.530	3.888	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CCC(OCC2CCCCC2)CC1)c1ccc(N(C)C)cc1	807670234	CBHDHKLRNCTZKD-SFHVURJKSA-N	415.578	3.518	10	20	HHCD	
Cc1c(CNC(=O)N(C)Cc2ccccc2N2CCOCC2)n(C)c2ccccc12	472223876	POHYTMGMXZYFPC-UHFFFAOYSA-N	406.530	3.665	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(C)(C)c1ccccc1	804119583	JAFDLAAIYXRNTL-GOSISDBHSA-N	407.558	3.726	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1O	812779538	CSSWZSXKGFHBPS-OAQYLSRUSA-N	420.347	3.981	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)cc1F	810265602	GSJKHXCBRVXSJW-UHFFFAOYSA-N	419.294	3.571	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)ccc1-c1ccncc1	815526829	HHACRXYGJPYAIB-UHFFFAOYSA-N	415.493	3.896	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCN(c4ccccc4F)C3=O)ccc21	487566918	CYJOLSLAPKOYIH-HXUWFJFHSA-N	423.488	3.579	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCCN4c5ccccc5C[C@H]4C3)CC2)cc1	812023709	BSWFZRIZRNDULL-QFIPXVFZSA-N	420.557	3.511	10	20	HHCD	
CCCC(=O)N1CCCC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726631021	XBMBFQTYGLHRQY-IBGZPJMESA-N	423.504	3.554	10	20	HHCD	
C[C@H]1Oc2c(cccc2C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)NC1=O	729313938	BWPGBAJATFHBPU-MRXNPFEDSA-N	419.481	3.908	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C	737780002	NRQZVPBDHKCDJH-UHFFFAOYSA-N	419.566	3.565	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c2[nH]ncc12	736993227	IVGUXAYEIDRKHU-GASCZTMLSA-N	411.481	3.946	10	20	HHCD	
Cc1cc(C(=O)COC(=O)COC[C@@H]2CCCO2)c(C)n1-c1ccc2c(c1)CCC2	733597197	YLTRHCSEINNOPF-NRFANRHFSA-N	411.498	3.504	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3coc4cc(C)ccc34)cc2F)CC1	730192908	PVFBYJCWMDBFBC-UHFFFAOYSA-N	409.505	3.881	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(CN2CCC(C)CC2)cc1	734702010	PKRVVHCZPUHICB-UHFFFAOYSA-N	422.573	3.548	10	20	HHCD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	730528597	HOUNCVGDDRZHKD-LJQANCHMSA-N	419.591	3.646	10	20	HHCD	
Cc1cc(C(=O)CN2CCC3(CC2)OCCO3)c(C)n1-c1ccc(OC(F)F)cc1	914787962	BEIVXCJYLIDRGY-UHFFFAOYSA-N	420.456	3.717	10	20	HHCD	
COc1cccc(NC(=S)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	917581381	XLGTVDCOBNUEIM-GASCZTMLSA-N	403.523	3.935	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)no1	916686174	AAODZRYCWVIHIF-UHFFFAOYSA-N	421.501	3.575	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(OC(F)F)cc3)cc2F)C[C@@H](C)O1	917709280	FIALQNDFNABZTI-ZIAGYGMSSA-N	408.420	3.971	10	20	HHCD	
C[C@H](OC(=O)[C@H](C)c1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	745131336	FBWOFELHGGKMAB-KGLIPLIRSA-N	417.417	3.729	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)ccc21	590658279	RDBMBXPLIXACCR-UHFFFAOYSA-N	408.498	3.948	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cc2)CC1	741056602	NVPWQRFBYZQFAL-UHFFFAOYSA-N	405.546	3.526	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnc3c(cnn3C)c2)c(C)n1-c1cccc(F)c1	747735898	CLFBFSWSXXLPLZ-UHFFFAOYSA-N	406.417	3.555	10	20	HHCD	
CC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCOCC1	746421990	SIOQNXOXJQLXPU-VQIMIIECSA-N	411.493	3.761	10	20	HHCD	
CC[S@@](=O)c1ccccc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1	919895584	OVAVYBZVBWWLDO-GDLZYMKVSA-N	411.571	3.598	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NCc1ccc(N(C)C)cc1	747446035	DOYFZADWMDSCOH-UHFFFAOYSA-N	418.925	3.551	10	20	HHCD	
Cc1cccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C	917712162	VHPFBBLAMXIIST-IRXDYDNUSA-N	400.494	3.751	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3C[C@H](C)C[C@H]3c3ccccc3F)CC2)cc1	743857918	XNUVHUSARNEURK-JPYJTQIMSA-N	411.521	3.566	10	20	HHCD	
CCc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743976056	YWPXCMWGLVGWRL-INIZCTEOSA-N	417.456	3.574	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)NCc1ccc(N(C)C)c(F)c1)O[C@@H](C)C2	746718526	LANNUCOXHYQWKD-AWEZNQCLSA-N	401.482	3.613	10	20	HHCD	
COc1ccc(F)cc1[C@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	918209450	LPTLGQARSFAQKG-INIZCTEOSA-N	415.509	3.603	10	20	HHCD	
Cc1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918293969	AGVXMDMQZKJWJY-QGZVFWFLSA-N	402.878	3.500	10	20	HHCD	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743814352	FACAOPOKJSGHEG-CQSZACIVSA-N	406.389	3.987	10	20	HHCD	
CC(C)n1cc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cn1	743047210	UTOGDZQLSDXRFW-UHFFFAOYSA-N	414.516	3.574	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	921281626	WXHFQPUMRUZUIB-UHFFFAOYSA-N	423.391	3.689	10	20	HHCD	
C[C@H]1Cc2ccccc2N1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	744887630	SLPTUDFUDXXLMB-GHTZIAJQSA-N	409.530	3.534	10	20	HHCD	
C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc(Br)ccc1O	756601688	ABJSNTBHMUJDQL-VPWXQRGCSA-N	419.363	3.688	10	20	HHCD	
Cn1cc(-c2nc(COC(=O)c3csc(Cc4ccc(N)cc4)n3)cs2)cn1	751931968	QVRPZVHNNKYOAE-UHFFFAOYSA-N	411.512	3.530	10	20	HHCD	
O=C(NCC(F)(F)F)C1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1	753533797	CJWCYVFTMUCFTJ-UHFFFAOYSA-N	422.447	3.862	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1	752886676	CCIVYFIMBQGBAT-UHFFFAOYSA-N	415.490	3.960	10	20	HHCD	
CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	920871442	KOUAOPNOHQUONZ-QPEODSHDSA-N	423.513	3.982	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-n4cccc4)nc3)cc2F)C[C@@H](C)O1	753200583	KMQXTGUKDMTWRM-CALCHBBNSA-N	408.477	3.555	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@H](C)[S@](=O)CC3)c2C)c1	759867102	INUIBLGYRRNGEC-RKOGDMNLSA-N	404.601	3.842	10	20	HHCD	
C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(Cl)c1O	756458462	MTMKJKPBFGFFHP-MEBBXXQBSA-N	414.731	3.725	10	20	HHCD	
COc1cccc(CNC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1O	767945719	RDIRPNKAMAKHND-HNNXBMFYSA-N	406.523	3.690	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	763387821	LFKAZHALFQNLHS-UHFFFAOYSA-N	416.524	3.917	10	20	HHCD	
CCc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl	1115897826	WMRZCVCVXGXZSQ-MRXNPFEDSA-N	402.922	3.995	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccc(C(C)(C)C)cc1	1116591741	IBPIJDOTLHDJBI-IBGZPJMESA-N	413.514	3.619	10	20	HHCD	
CN(C)c1ccc(N2CCC(NCc3ccc(N4CCC(CO)CC4)cc3)CC2)cc1	765295076	CLKMAKLBPSMCKA-UHFFFAOYSA-N	422.617	3.720	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(Br)ccc3F)CC2)cc1	1116348408	WHLCWESXQHEPHW-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(CS(C)(=O)=O)o1	777823588	VBCSRCFPIUCNLW-MRXNPFEDSA-N	413.495	3.933	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccn1Cc1ccncc1	771059497	SDTFKKHTRUICPN-FQEVSTJZSA-N	424.932	3.685	10	20	HHCD	
COC(=O)[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1F	779177838	IRLXPQPQKJGGSY-FQEVSTJZSA-N	401.438	3.728	10	20	HHCD	
COCCOC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775557112	AEZFRUJXSCDSJR-HNNXBMFYSA-N	400.479	3.830	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1	771769612	XAEIYPOYGGWSOH-XMMPIXPASA-N	404.558	3.869	10	20	HHCD	
CCCCn1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C	772068941	AUUASCQPDJGNQS-UHFFFAOYSA-N	406.477	3.992	10	20	HHCD	
O=C(C[C@H](O)c1cccc(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	772637782	NDXSGJRDXCQZPY-IBGZPJMESA-N	408.420	3.636	10	20	HHCD	
C[C@H](CCc1ccccc1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	774541248	VZQBTDVXMJIXQW-HXUWFJFHSA-N	407.558	3.773	10	20	HHCD	
COCCN1C(=O)CCc2cc(NC3CCN(c4ccc(OC)cc4)CC3)ccc21	779082975	GAZKJFZNUZFYEY-UHFFFAOYSA-N	409.530	3.702	10	20	HHCD	
COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OCC(C)C)c1	788726196	OXKHUGYCYULQEY-UHFFFAOYSA-N	412.530	3.839	10	20	HHCD	
COC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)ccn1	786262104	NSEKMRUFTSWYCA-UHFFFAOYSA-N	424.428	3.763	10	20	HHCD	
CCn1ccnc1[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	797445424	YTORJMDERWPOGM-NRFANRHFSA-N	411.550	3.817	10	20	HHCD	
OCCN(Cc1ccc(Br)s1)Cc1cc(Br)ccc1O	792195015	CNVBWQTZKXWMCC-UHFFFAOYSA-N	421.154	3.973	10	20	HHCD	
O=S(=O)(NCc1cccc(Br)c1O)c1ccc(Cl)cc1Cl	797456137	JRDQSFPHKNZHRR-UHFFFAOYSA-N	411.104	3.940	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1	796641175	JNZZQKHOGZTNQM-OAQYLSRUSA-N	421.463	3.972	10	20	HHCD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1cccc(OC)c1O	796403590	VMWZLQJZRRKVSE-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
COc1ccc(CCNCc2ccc(N3CCN(C)CC3)c(F)c2)c(Cl)c1OC	1261237690	BGJTXKQKRKCTAZ-UHFFFAOYSA-N	421.944	3.580	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3nccn3-c3cccc(C)c3)CC2)cc1	7061479	RBLKIPOFSYKSSN-UHFFFAOYSA-N	422.554	3.630	10	20	HHCD	
C[C@H](NC(=O)NCc1ccccc1N1CCCC1)c1ccc(N2CCOCC2)cc1	65698143	JBSVMHJHIGMMQV-IBGZPJMESA-N	408.546	3.684	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCO[C@@H]3CCCC[C@@H]3C)cc2F)C[C@@H](C)O1	108467673	DSCTZXQFPNUBBT-VDVULAQNSA-N	421.557	3.834	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c(C)n1-c1cccc(Cl)c1	109903083	ACDIRWDYUMTSBN-UHFFFAOYSA-N	417.918	3.788	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1	217166537	GMKCGBAYUDWQDV-CJLVFECKSA-N	403.482	3.775	10	20	HHCD	
CCOCCCN1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@H](C)C1	303726558	SXJRNLCYEPRVRY-KOSHJBKYSA-N	422.573	3.833	10	20	HHCD	
COc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)sc(C)c1Br	564767647	ZZPZRYOSFIGTPQ-UHFFFAOYSA-N	411.321	3.933	10	20	HHCD	
CCC[C@H](NCc1cc2c(cc1O)OCO2)C(=O)Nc1cccc(N2CCCC2)c1	725851422	PJAUEKRWVSVBBQ-IBGZPJMESA-N	411.502	3.618	10	20	HHCD	
COc1cc(NC(=S)NCCCN(C)c2ccccc2)ccc1N1CCCC1=O	726450378	HGVZXMCBVCAEQK-UHFFFAOYSA-N	412.559	3.635	10	20	HHCD	
CC(C)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc(C2CC2)no1	727944255	WQKYCFKUCALZFK-PKOBYXMFSA-N	414.506	3.741	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccccc3OC)cc2F)CC1	730193796	AGIGPGIVTOTUFM-GOSISDBHSA-N	413.537	3.786	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1ccccc1N1CCCC1=O	731845798	KKIUCZWRDURVRK-UHFFFAOYSA-N	407.514	3.902	10	20	HHCD	
CCc1c[nH]ccc1=NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	733982256	NSXRSERCEHBZDQ-WJDWOHSUSA-N	417.581	3.748	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1	734068668	FGDRNRTZESTQIX-SFHVURJKSA-N	421.538	3.674	10	20	HHCD	
C[C@H]1SCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]1C	735682815	YHKOKNGDJCYFTC-ZIAGYGMSSA-N	417.497	3.577	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1	738361405	PKQXZHSEXDHQHD-UHFFFAOYSA-N	400.331	3.808	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2cccnc2Cl)nc1-c1ccccc1	739382887	RPZMCIVEZBFQIV-UHFFFAOYSA-N	423.903	3.836	10	20	HHCD	
Cc1ccc(N2CCC[C@H](NC(=O)c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1	742134817	GJTANMWGFGJULK-NRFANRHFSA-N	402.498	3.723	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccccc2O)cc(C)c1OCC(=O)N1CCCCC1	743313610	WPHJXFXXILPNSE-UHFFFAOYSA-N	410.514	3.673	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Oc1cccc(F)c1	745880067	XYEBHOXXDMVYSL-OXJNMPFZSA-N	402.466	3.689	10	20	HHCD	
O=C(CSCc1cscn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	746839274	MGZCSIFSDJJEIO-UHFFFAOYSA-N	413.515	3.763	10	20	HHCD	
CCCCN(C)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	749265449	LFAYRCLOIDNWGX-UHFFFAOYSA-N	413.537	3.953	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc21	750821146	JMFPZXMSRVGNIM-UHFFFAOYSA-N	404.264	3.670	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(SC)cc3)CC2)cc1F	753741128	CRECRZKQBGYALL-OAHLLOKOSA-N	404.507	3.672	10	20	HHCD	
CC1=C(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCO1	755928723	JFOQPIAXSODVSO-IBGZPJMESA-N	403.523	3.519	10	20	HHCD	
Cc1cc(S(=O)(=O)NCCN[C@@H](C)c2ccc3ccccc3c2O)c(C)s1	756758166	GCEHRYRXVHEVBP-AWEZNQCLSA-N	404.557	3.853	10	20	HHCD	
COc1ccc(N(C)CCS(=O)(=O)c2cccc(Br)c2)cc1F	757851871	FVZHGNLJICDAON-UHFFFAOYSA-N	402.285	3.507	10	20	HHCD	
C[C@H]1CN(c2ccc(CN3C(=O)NC4(CCCCCC4)C3=O)cc2F)C[C@H](C)O1	761101701	UHNDLQSRESSJBH-HOTGVXAUSA-N	403.498	3.584	10	20	HHCD	
COc1cc(Cl)cc(CNCCC(=O)Nc2ccc(Br)cc2)c1O	761197994	KDPKSPHHMMKMLS-UHFFFAOYSA-N	413.699	3.935	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cnn(CC(F)(F)F)c1	764375661	QDPAZKWHIRFNBF-UHFFFAOYSA-N	409.456	3.777	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](CN3CCOCC3)c3ccc(C)cc3)CC2)cc1	764702521	YXHKRYXUTCXLDF-RUZDIDTESA-N	409.574	3.636	10	20	HHCD	
C[C@H](NCCCN1CCN(c2ccncc2)CC1)c1ccc(N2CCCCC2)cc1	765519017	HAVBUYWAYTWPNH-QFIPXVFZSA-N	407.606	3.935	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@H]3CCSc4c(Cl)cccc43)cc2)CC1	765979583	MBAUYEBPEXTNIY-IBGZPJMESA-N	423.003	3.902	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3c3c(C)n[nH]c3C)c2C)cc1	766054689	CDWQZOHTUBTWMV-NRFANRHFSA-N	408.502	3.656	10	20	HHCD	
Oc1ccccc1CN(Cc1cc2c(cc1OC(F)F)OCO2)C[C@H]1CCCO1	768160955	FDNDXHSCQKPTTE-MRXNPFEDSA-N	407.413	3.904	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c1C	769310887	CACLJZZRJGNUCN-DNQXCXABSA-N	409.574	3.900	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1O	769497930	FEBAXEUKVRNGBN-NRFANRHFSA-N	420.465	3.685	10	20	HHCD	
Cc1cc(C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	769732681	IDHBSECXVZBWRQ-GOSISDBHSA-N	408.951	3.787	10	20	HHCD	
Cc1cc2c(cc1C)[C@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)CO2	769866711	ZYIVXYNQRHGPCC-ABSDTBQOSA-N	412.505	3.849	10	20	HHCD	
CCCCn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)n1	770246335	PPFFUCLZNPOSBW-INIZCTEOSA-N	406.477	3.992	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1[N+](=O)[O-]	770568032	IXWHAMFPHNTADT-NVNXTCNLSA-N	416.436	3.707	10	20	HHCD	
CCO[C@@H](C)c1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1	771057516	KAUUTOREUYMCJR-XJKSGUPXSA-N	423.966	3.994	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Br)nc1	771066311	QYHTYLQCPGBHGD-HNNXBMFYSA-N	424.726	3.598	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N2CCOCC2)c(F)c1	773010441	KYBGXJDWLRLNIN-FOIQADDNSA-N	417.912	3.772	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)c(F)c1	773120285	MNMSKJFTSKIGJT-UZLBHIALSA-N	415.484	3.648	10	20	HHCD	
COc1ncc(/C=C\C(=O)N(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)cn1	775847349	CPHVKMBMTQQGFJ-YWEYNIOJSA-N	423.494	3.873	10	20	HHCD	
Cc1coc2ccc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc12	776085588	QBJLNFWJSYQQIE-QGZVFWFLSA-N	406.486	3.765	10	20	HHCD	
COc1cc(O)c(CNC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1OC	776257638	ZHSWIMUSMHQHNG-SZNDQCEHSA-N	408.901	3.985	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	779353147	UHWPDBVVFYKINN-AEFFLSMTSA-N	404.555	3.506	10	20	HHCD	
CCOC(=O)[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCCOC1	782174157	GICWZRUOSGTJHU-JTSKRJEESA-N	424.501	3.988	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	783318149	UURCWJBIMRQKFY-UHFFFAOYSA-N	418.881	3.690	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)cc1Br	784025735	JYBDZWKYOPIAAU-UHFFFAOYSA-N	405.292	3.840	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1	784556021	OPPLQVUTPBHGPS-QHCPKHFHSA-N	424.522	3.642	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnc(O)c2ccccc12	787130934	CWJPEVJXJAPQLZ-MRXNPFEDSA-N	411.889	3.694	10	20	HHCD	
O=C(CC1CCC2(CC1)OCCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	788094267	QBDCNXRQTZDRET-QGZVFWFLSA-N	424.488	3.696	10	20	HHCD	
C[C@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1O	788802614	PRZJXWZLKKQGDI-LBPRGKRZSA-N	420.428	3.521	10	20	HHCD	
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788928546	AGQNYDFZHWTFIP-IBGZPJMESA-N	407.558	3.776	10	20	HHCD	
CC(C)CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)C	789855157	KTUBCKYFUKKWCT-FQEVSTJZSA-N	419.635	3.823	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])s1	791247362	XICVWDVMVFOYOT-UHFFFAOYSA-N	405.476	3.659	10	20	HHCD	
COc1ccc(CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c(O)c1	794377923	RHBBKDUGJREDQQ-UHFFFAOYSA-N	402.535	3.662	10	20	HHCD	
C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1c(O)ccc2cc(Br)ccc12	795689005	GZQDBBHZBDFKGJ-PBHICJAKSA-N	405.336	3.603	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc1F	801920393	NOEJJNPWXGZCHF-UHFFFAOYSA-N	424.879	3.843	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H]1[C@H]1CCCO1	806878838	XOZASQHTSRLYKM-AYOQOUSVSA-N	409.477	3.610	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1	810313385	IKTYRFBZTKJRLY-UHFFFAOYSA-N	406.364	3.667	10	20	HHCD	
COc1cc(O)c(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1OC	811509974	ODVSPKYWJHVXNT-UHFFFAOYSA-N	423.391	3.854	10	20	HHCD	
O=C1CN(Cc2cccc(NCc3ccc(OCc4ccccc4)cc3O)c2)CCN1	812795754	BVRANYJULNZRSB-UHFFFAOYSA-N	417.509	3.515	10	20	HHCD	
Cc1cc(C(=O)N2CCC(CS(C)(=O)=O)CC2)c(C)n1-c1ccc(Cl)cc1	817040451	CWHCZCYUUBIRSJ-UHFFFAOYSA-N	408.951	3.644	10	20	HHCD	
CN(Cc1ccccc1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	821693438	VVCYKMLYDBNEBE-UHFFFAOYSA-N	400.390	3.642	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c4c(c3)OCO4)SC2=S)cc1	915850194	YDTVSEDEAKHDJT-SXGWCWSVSA-N	401.465	3.838	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1	918227913	BGMAVTFALXNTNR-UHFFFAOYSA-N	414.594	3.857	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CCS(=O)(=O)CC(C)C)c1C	919275240	HQPSSSDLPKFBQH-UHFFFAOYSA-N	419.543	3.589	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc([N+](=O)[O-])c1	920844304	STPNBYQPWRYCDH-HUUCEWRRSA-N	401.438	3.586	10	20	HHCD	
CSc1nccn1-c1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	920881058	AJHNTKRFKNVJJG-QGZVFWFLSA-N	422.554	3.922	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1	1116352304	VASXTXIEBCMWNN-UHFFFAOYSA-N	410.905	3.887	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	1117507339	IGINGTLJVOLUFH-LLVKDONJSA-N	405.241	3.517	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1	1320022469	AXFMIGDNXVKZOM-UHFFFAOYSA-N	405.385	3.884	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccnc(Cc2ccccc2)n1	1320875754	ZQBRTZUDNRICID-UHFFFAOYSA-N	417.513	3.568	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2)CC1	1322006805	ARLPIGVWZWEJJV-HXUWFJFHSA-N	420.557	3.877	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(C(C)(C)C)nn3)cc2F)C[C@@H](C)O1	1323954637	MSTKZJPZNPQGED-HUUCEWRRSA-N	415.513	3.849	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2C[C@H]2F)C3)cc1	1800513972	ALJQHYFRQMAGER-WFMNFSIZSA-N	409.505	3.704	10	20	HHCD	
C[C@@H](Nc1cc(-c2ccccc2)nc2ncnn12)c1ccc(N2CCOCC2)cc1	301133665	YVYQZHBTASGHSB-QGZVFWFLSA-N	400.486	3.801	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1NC(=O)C(C)(C)C	303612846	RGANYAFMJJOZLX-UHFFFAOYSA-N	409.530	3.780	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c2ccccc12	472809646	LEFYQXRQKKNYPV-UHFFFAOYSA-N	407.367	3.900	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](O)COc3c(C)cccc3C)ccc21	590809350	IKWPOUJKHUWMOD-OAQYLSRUSA-N	424.541	3.691	10	20	HHCD	
CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C2CC2)no1	727940093	BLPKKZJOYLUNIC-HNAYVOBHSA-N	413.522	3.541	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1	729063326	IXEXFVHZADBNRR-GFCCVEGCSA-N	411.483	3.649	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)n1cnc2ccccc21	729352410	POFBRCBHSBZDPQ-RXVVDRJESA-N	406.530	3.871	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC[C@@H](C3OCCO3)C2)cc1)C1CCCCC1	729601711	UHQCTOMKMFTQGW-LJQANCHMSA-N	401.551	3.750	10	20	HHCD	
O=C(Nc1ccccc1)NC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	730117934	QZCJMNKJRAOLLV-UHFFFAOYSA-N	421.545	3.783	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCCN2CCN(c3ccccc3)CC2)cc1	731976396	XQPSASCKZTYAKD-UHFFFAOYSA-N	408.590	3.751	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	740848642	XWBWCCJYPQRUCA-AEFFLSMTSA-N	408.951	3.833	10	20	HHCD	
COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1	741136377	UUASOTKUGZEGCH-UHFFFAOYSA-N	406.479	3.794	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1	741678734	XGIODYNGZBDRFQ-HXUWFJFHSA-N	424.589	3.725	10	20	HHCD	
COc1cccc(CNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1O	743333552	SNTFTVRTMPPOJS-DNVCBOLYSA-N	414.502	3.919	10	20	HHCD	
O=C(CCCn1c(=O)oc2ccccc21)N(Cc1ccco1)Cc1ccccc1O	743428717	ITISFDZCDWSCOJ-UHFFFAOYSA-N	406.438	3.902	10	20	HHCD	
CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2c(O)ccc3c2CCCC3)cs1	743719910	ZUNXWOBPIDOVDT-UHFFFAOYSA-N	401.532	3.571	10	20	HHCD	
CCN(CC(=O)NCCCc1ccccc1)Cc1cc(Br)ccc1O	743872819	APBASAVGIWCWNT-UHFFFAOYSA-N	405.336	3.726	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	743957043	ZXNMGRWBQQUYKX-UHFFFAOYSA-N	422.481	3.567	10	20	HHCD	
CC(C)C[C@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903250	FBTRDJWBCQBTDC-AEFFLSMTSA-N	411.493	3.713	10	20	HHCD	
C[C@H](NC(=O)c1sc(N2CCCC2)nc1Cl)c1ccc(N2CCOCC2)cc1	746890471	KSLRQACOWVDDDI-AWEZNQCLSA-N	420.966	3.724	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)C[C@@H](O)COCCOC(C)C)c2C)c1	749417504	YWNISQDLYWIQDF-JOCHJYFZSA-N	416.562	3.585	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3ccc(-n4ccnc4)nc3)ccc21	750343632	DXGDMSHAMOHALQ-UHFFFAOYSA-N	404.470	3.842	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1nccn1CCCc1ccccc1	751608754	FWMYOYQQCCLVIJ-UHFFFAOYSA-N	415.541	3.892	10	20	HHCD	
C[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)c1cc(F)ccc1O	756562110	GLLFERVIYYYFMU-CYBMUJFWSA-N	409.299	3.993	10	20	HHCD	
C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1cc(Br)cc(F)c1O	756587206	ZWCZPSJEZJTFRO-QMMMGPOBSA-N	423.208	3.865	10	20	HHCD	
C[C@]1(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCS1	758694207	CVLZUTBDCGDQFI-GOSISDBHSA-N	417.497	3.627	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3CCCc4sccc43)CC2)cc(OC)c1OC	759226207	WHZZKWXOSUZJCW-QGZVFWFLSA-N	416.543	3.543	10	20	HHCD	
CNC(=O)c1ccc(N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c([N+](=O)[O-])c1	759697288	QAEKHOVASFUXLL-UHFFFAOYSA-N	408.458	3.820	10	20	HHCD	
Cc1ccc(CN(CC[C@@H]2CCS(=O)(=O)C2)c2ccc3c(c2)OCCO3)s1	760857913	RQYYOAPYSBMLMQ-MRXNPFEDSA-N	407.557	3.659	10	20	HHCD	
COc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)ccc1S(=O)(=O)C(F)F	765475534	XHVQONWSURSUGJ-LBPRGKRZSA-N	416.465	3.747	10	20	HHCD	
O=C(Nc1cccc(N2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1SCCO	765482052	AOPADCBVLVWCRN-UHFFFAOYSA-N	401.488	3.922	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C1(c2cccc(F)c2)CCOCC1	765767431	ZREYJLGSUQPHNC-UHFFFAOYSA-N	408.267	3.658	10	20	HHCD	
CN(CC(=O)NCc1cccc(Br)c1O)c1nc2ccccc2s1	765944067	OVOMNSYVUJLLQQ-UHFFFAOYSA-N	406.305	3.517	10	20	HHCD	
CCOC(=O)c1ccc(NC(=S)NCc2cccc(Br)c2O)cc1	765977477	QCMQLKCREDZGLL-UHFFFAOYSA-N	409.305	3.818	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	766067212	GOBYLBNGNRJEIC-OYHNWAKOSA-N	420.937	3.578	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnc(-c3cnccn3)n2C)c1C	768406119	CPAJWAWJXWYYDO-UHFFFAOYSA-N	418.526	3.963	10	20	HHCD	
C[C@@H](CCCOc1ccccc1C(N)=O)NCc1ccc(N2CCSCC2)cc1	768677026	HHGUEJQGTACKRE-SFHVURJKSA-N	413.587	3.676	10	20	HHCD	
Cc1nn(C)c2sc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc12	768912544	NTHLEYMOWDMOIT-HNNXBMFYSA-N	418.950	3.697	10	20	HHCD	
O=C(c1cccc(Cl)c1)N1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769053138	FGRORGYCDTWFAP-UHFFFAOYSA-N	424.284	3.955	10	20	HHCD	
C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1ccc(N2CCC(O)CC2)c(F)c1	769683239	CFDVRSMROJYTBE-HOTGVXAUSA-N	409.546	3.568	10	20	HHCD	
CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCc1ccc(N(C)C)c(F)c1	771419431	FBGWLCNKXZVSLU-UHFFFAOYSA-N	413.541	3.735	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1Br	771924477	IEEIULUACGLSOP-VIFPVBQESA-N	420.285	3.996	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21	773740479	PGUZHXVCGIKDSE-KRWDZBQOSA-N	415.493	3.786	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1O	775108263	DGZOAGNFHGNOBL-CYBMUJFWSA-N	412.273	3.984	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)c(C)c(C)c1O	775291968	SVPMGMKXZHWMFZ-UHFFFAOYSA-N	413.337	3.947	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCN(C2CCC2)CC1	775700099	BCGQPJDHHQMKMZ-UHFFFAOYSA-N	404.146	3.587	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1	776245706	NDVOBNBOBHOKOC-HOTGVXAUSA-N	423.479	3.983	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nn1-c1cccc(Cl)c1	777367394	QGPLJQBVTXAHBW-UHFFFAOYSA-N	410.905	3.601	10	20	HHCD	
C[C@@H](Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCOCC2)c(F)c1	777675224	LBVUMEMBGZHMOZ-MRXNPFEDSA-N	403.473	3.811	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1O	779039839	SAXSRZLDEOPRIR-GXFFZTMASA-N	409.246	3.667	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccccc1OC1CCCC1	787210787	YCGHWFXTFYCUKO-UHFFFAOYSA-N	421.541	3.541	10	20	HHCD	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788929486	KCUTXVMKBQZDGB-UHFFFAOYSA-N	420.340	3.868	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)N1CCCCCC1	791249379	FTASCQVZVYPSBJ-GOSISDBHSA-N	403.567	3.640	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(N(C)C)c1	792416105	VAGGRSBGFLXEMI-UHFFFAOYSA-N	410.518	3.802	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	793576256	ODBOTFBBZNHYMC-IRXDYDNUSA-N	420.550	3.868	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)cc(OC)c1OC	803106055	UGLXNDKRJXYBCM-DFQSSKMNSA-N	416.562	3.968	10	20	HHCD	
CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccco1	806439922	IFTHQHRECVDXCG-YLJYHZDGSA-N	416.591	3.761	10	20	HHCD	
O=C(CCCN1CCN(c2ccccc2)CC1)NCc1cc(Cl)cc(Cl)c1O	807840131	QURFDMNCBGYDSE-UHFFFAOYSA-N	422.356	3.918	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccc(F)cc2Cl)CC1	807945441	BSMTZQUAGDTSRM-UHFFFAOYSA-N	418.896	3.771	10	20	HHCD	
NC(=O)c1cc(OC2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)ccn1	809750072	VVTCZXCAAAETPB-UHFFFAOYSA-N	403.482	3.597	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@H](CC)c2ccc(C(F)(F)F)cc2O)CC1	810209226	OPCXRBQHAYPJPW-MRXNPFEDSA-N	408.486	3.656	10	20	HHCD	
Cc1cc(CCNC(=O)NCc2ccc(-n3ccnc3)nc2)c(C)n1-c1ccccc1	914535112	GPRUEKHIMJOEEL-UHFFFAOYSA-N	414.513	3.717	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1	917897299	FQQMAAUFGQTPHJ-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1	918135326	QLZWVIDKWTXGKT-UHFFFAOYSA-N	420.513	3.617	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3cccc(F)c3)cc2F)C[C@@H](C)O1	918221715	RHVFRWHHOTVDCY-IYBDPMFKSA-N	403.473	3.920	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@H]2CCCN2c2ncccn2)c1C	919061237	VLPQHJJJEHDODD-OAQYLSRUSA-N	418.497	3.587	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2cccc(F)c2)no1	919969950	KZOFADZIVXETFO-UHFFFAOYSA-N	409.461	3.619	10	20	HHCD	
C[C@@H]1CCc2nc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)sc2C1	1317829763	HRMYGAJVAOPVNN-OAHLLOKOSA-N	400.548	3.768	10	20	HHCD	
CN1C(=O)C[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c2ccccc21	1319104848	UJSHEDCXPXJXBV-FQEVSTJZSA-N	410.429	3.551	10	20	HHCD	
C[C@H]1CCC[C@@H]1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788427398	XCEISYNJXQPZAH-KSSFIOAISA-N	409.486	3.677	10	20	HHCD	
Cc1ccc([C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)N2CCOCC2)o1	25399781	DVWUZHHHIGGCDP-QFIPXVFZSA-N	407.514	3.799	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	64573530	GFPOPJIJNSSMCJ-UHFFFAOYSA-N	416.543	3.593	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1	303015252	NOBKWTOJLWDFHN-VWNXMTODSA-N	423.557	3.833	10	20	HHCD	
COC(=O)CCCc1nnc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)s1	303824865	NRKJHSBTZJBAPJ-UHFFFAOYSA-N	416.478	3.833	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(OCCN(C)C)c3)ccc21	486472889	MHUGYIAAUSVLED-UHFFFAOYSA-N	423.557	3.775	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(C)Cc2cc(Cl)ccc2F)n(C)c2ccccc12	514963630	SISSYNVIBBHWNZ-UHFFFAOYSA-N	401.869	3.554	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)CC2)cc1	726560874	UHMCXHGKOBFFFI-XMMPIXPASA-N	419.525	3.744	10	20	HHCD	
CCCS(=O)(=O)NC1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1	726960800	GADFBQCXNOOWKP-UHFFFAOYSA-N	402.516	3.585	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3c(F)cccc3F)cc2F)CC1	730121360	NWDCVVLGDLFTRR-HNNXBMFYSA-N	420.479	3.806	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c(C)n1-c1ccccn1	731628451	PAWLPUPJVYGNBU-IBGZPJMESA-N	424.501	3.782	10	20	HHCD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCc2cc(OC)ccc2O)c(C)c1	734072500	CVHUOWYMYBZBIT-CQSZACIVSA-N	402.516	3.855	10	20	HHCD	
CC(C)(CCC(=O)NCc1ccc(N2CCSCC2)cc1)NC(=O)OC(C)(C)C	737804561	MVCYLEPVHPVICT-UHFFFAOYSA-N	421.607	3.940	10	20	HHCD	
Cc1cc(C(=O)CN2CCCC[C@H]2C(N)=O)c(C)n1-c1cccc(C(F)(F)F)c1	741992734	LWMLKKSAUDRJKT-SFHVURJKSA-N	407.436	3.635	10	20	HHCD	
CC(=O)NC[C@@H]1CCCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	742494404	SYTBWOAOQNOEGT-SFHVURJKSA-N	401.938	3.665	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3CCC(c4ccccc4)CC3)cc2)C1	742567269	XPRDAZNHWOCVJK-XPPIMPSXSA-N	419.569	3.979	10	20	HHCD	
O=C(Nc1cccc(N2CCCNC2=O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	743221824	ZWROGNDWFIJVLO-HXUWFJFHSA-N	424.501	3.525	10	20	HHCD	
CC(C)CCc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	745297559	AADBSPZAGZHJOO-IBGZPJMESA-N	423.557	3.928	10	20	HHCD	
COCCN(CC(=O)Nc1ccccc1Br)c1ccc(OC)c(OC)c1	746474201	DORMFLKTDZTRNA-UHFFFAOYSA-N	423.307	3.558	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCN1C1CCCC1	749258356	KULOPBBQHOEPEQ-AZUAARDMSA-N	405.970	3.533	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCNC(=O)OC(C)(C)C)cc1	749344873	QIBZJINVNYEXHF-UHFFFAOYSA-N	416.522	3.582	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	749573768	IDBSNBWLGJPDJT-RDPSFJRHSA-N	404.558	3.773	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(OC2CCCC2)cc1	749731423	OXBGIASPHJXSGW-UHFFFAOYSA-N	405.545	3.702	10	20	HHCD	
CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1cc(F)cc(C(C)=O)c1O	750820806	VRZPQZOVXUGYEX-UHFFFAOYSA-N	412.383	3.501	10	20	HHCD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751301932	GULWYBRRFXMOHP-INIZCTEOSA-N	415.453	3.650	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)n[nH]2)o1	751405193	JAAYFQZZWUSFSH-IBGZPJMESA-N	408.502	3.866	10	20	HHCD	
CC(C)(C)n1ccnc1SCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	752151726	MGMYZPQMYHITRG-QGZVFWFLSA-N	403.548	3.644	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(Br)cc1Cl	753639709	ACQLCXNLPJWCHW-JTQLQIEISA-N	414.683	3.640	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccccc3NCc3cccnc3)CC2)cc1F	754027657	GLNFXNUMRFJUEG-UHFFFAOYSA-N	420.488	3.804	10	20	HHCD	
C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc(Br)cc(F)c1O	756434934	RTFVYNGIYQILFF-LLVKDONJSA-N	416.312	3.689	10	20	HHCD	
C[C@H](NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756502351	HFHXTYXLTQPIPA-LIRRHRJNSA-N	405.882	3.678	10	20	HHCD	
C[C@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1O	756542516	AYZWDMLCNJRVSJ-CABCVRRESA-N	402.470	3.603	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(Br)c(F)cc2O)cc1	756876215	YRKZWCHGLCBSBK-LLVKDONJSA-N	416.312	3.938	10	20	HHCD	
COc1ccc(C[C@@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	758511117	MRDJWCLHKIMYED-KURKYZTESA-N	414.521	3.943	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(c3ccc(N(C)C)cc3)C1=O)OCO2	758813582	AFDZEWFVNRVYGO-NVMNQCDNSA-N	414.508	3.896	10	20	HHCD	
CCc1ccc([C@H](C)C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1	759220090	DBHCRTHDIKRAES-KRWDZBQOSA-N	412.530	3.727	10	20	HHCD	
CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	760054168	VLAIHJWPRXUOOK-HKUYNNGSSA-N	421.335	3.780	10	20	HHCD	
Cc1c(I)cccc1C(=O)NCc1ccc(N(C)C)c(F)c1	760474856	UHEUPKDIXTWHDA-UHFFFAOYSA-N	412.246	3.735	10	20	HHCD	
O=C(NCc1ccccc1OCC1CC1)NCc1cccc(Br)c1O	764782657	GXFPIEJMZYHQCA-UHFFFAOYSA-N	405.292	3.943	10	20	HHCD	
COc1ccccc1OC[C@@H](C)CNC(=O)NCc1cccc(Br)c1O	764798551	FKHLKDWZYAZQGZ-ZDUSSCGKSA-N	423.307	3.678	10	20	HHCD	
C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(-n2cnnn2)c1	765641084	LWKDBBXUGYHLQT-OAHLLOKOSA-N	414.460	3.583	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)oc1C	768159264	LUXHHNRIGUVMNB-SFHVURJKSA-N	401.507	3.958	10	20	HHCD	
O=C(c1cccc(F)c1)N1CCCN(Cc2cccc(Br)c2O)CC1	768250720	BFQSLQPUYNLPMD-UHFFFAOYSA-N	407.283	3.642	10	20	HHCD	
CC(C)N(CC1CCC1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769235703	MDVSXHARYJLAFR-UHFFFAOYSA-N	408.545	3.905	10	20	HHCD	
COc1cc(Br)cc(CN(C)Cc2nccn2CC(F)(F)F)c1O	769318445	ZRIHNJLIULIRRT-UHFFFAOYSA-N	408.218	3.554	10	20	HHCD	
Cc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)c(Br)c1	772350435	QGDZGJZOXVVEEW-UHFFFAOYSA-N	417.347	3.843	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1)c1ccc(N(C)C)cc1	773847131	ODCIUVBKRBCJRS-MRXNPFEDSA-N	404.470	3.756	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cccc(CS(=O)(=O)C(C)(C)C)c2)c1O	774934897	BDTAWZCRZBQJQB-UHFFFAOYSA-N	408.476	3.634	10	20	HHCD	
O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@H]1c1ccc(C(F)(F)F)cc1	775727349	CIJCZGQEDKHSFB-HNNXBMFYSA-N	402.775	3.877	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H](OC)c3ccccc3F)CC2)cc1	775770851	SMAJRMOOXZRWFR-KSFYIVLOSA-N	415.509	3.879	10	20	HHCD	
CS(=O)(=O)c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1C(F)F	776035979	PKDGWRQZZRNCBY-UHFFFAOYSA-N	424.469	3.934	10	20	HHCD	
Cc1cc(Br)cc(CNCc2ccnc(OC3CCOCC3)c2)c1O	776174256	KURAMMNISURCKY-UHFFFAOYSA-N	407.308	3.706	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1coc(-c2ccccc2Cl)n1	776308514	ONLHFFUWULMORN-UHFFFAOYSA-N	415.852	3.901	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(C(F)F)c1	780715210	IECAQELIFHOMQV-UHFFFAOYSA-N	421.513	3.957	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cccc(C)c3F)n2)cc1	781645458	BSJKCTOZFIWDNI-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CSCc1cccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	782638989	ZOFWNDNIULOXFB-UHFFFAOYSA-N	413.587	3.758	10	20	HHCD	
Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785086056	VFRXEQISLHBZBD-GOSISDBHSA-N	403.446	3.533	10	20	HHCD	
Cc1ccc(Br)nc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	787139591	HXJSLMPQVAEVKR-OAHLLOKOSA-N	405.292	3.680	10	20	HHCD	
COc1ccc(CNC(=O)NCCCc2ccc(Br)cc2F)c(O)c1	792948070	WBPJXBOJBLTRJY-UHFFFAOYSA-N	411.271	3.734	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(Cn4cccn4)on3)cc2Cl)C1	794477241	FSJLGCMJERVRGW-OAHLLOKOSA-N	413.909	3.739	10	20	HHCD	
CC(C)COC(=O)N1CCC(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	796696377	SPJPERCSGQJGLH-ROUUACIJSA-N	421.557	3.786	10	20	HHCD	
CC(C)Cc1cccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1	796763984	SZJLXJKTBSNFGW-LJQANCHMSA-N	400.588	3.971	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)cc1F	797675905	UQYKGWIBTBWPEI-UHFFFAOYSA-N	416.497	3.880	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCCc1ccccc1F	807316507	OEVQPHWNUDHRCP-UHFFFAOYSA-N	411.521	3.523	10	20	HHCD	
CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCCCCC1	807769975	WKLBCIQGDBSFKD-MRXNPFEDSA-N	423.504	3.554	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnn(CCF)c3)c2C)cc1	808569539	KNCQFHXWZNCQQU-UHFFFAOYSA-N	413.449	3.699	10	20	HHCD	
Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809594214	TZHKYLQNMVJZKX-NOZRDPDXSA-N	416.569	3.928	10	20	HHCD	
CC(=O)N1C[C@H]2[C@@H](NC(=O)N(Cc3ccccc3O)C3CCCCC3)CCC[C@H]2C1	812433019	HYHUAZDSZACEQB-BWAGFHJFSA-N	413.562	3.884	10	20	HHCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1OCCCO	812783686	BERINOIFZHVSOB-CQSZACIVSA-N	406.320	3.996	10	20	HHCD	
CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC(O)CC1	857455356	BLAZWODTHOYBDV-UPTPFMHGSA-N	410.505	3.950	10	20	HHCD	
CCOc1ccc(-c2noc(CCC(=O)NCc3ccc(N4CCCC4)cc3)n2)cc1	915081422	YRPJGMKNNZYZBG-UHFFFAOYSA-N	420.513	3.985	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccccc2CN2CCCC2=O)C2CC2)cc1	918067538	OCEIGQFETTZFBF-UHFFFAOYSA-N	420.557	3.749	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OC(F)F)cc2)cc1	918310163	NOMUJMDYZYYCOH-UHFFFAOYSA-N	405.445	3.731	10	20	HHCD	
Cc1cc(C)cc(N2CC[C@H](C(=O)NCc3ccc(N4CCSCC4)cc3)C2=O)c1	919749512	WOJMFIHIGXUDPK-JOCHJYFZSA-N	423.582	3.526	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(Oc2ccccc2)CC1	1118834964	HRRDNJIGZVRVBL-SFHVURJKSA-N	400.906	3.738	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cn(C)cc3C(F)(F)F)cc2F)C[C@@H](C)O1	1320852068	UPYLKZAEEILHBQ-CHWSQXEVSA-N	413.415	3.727	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNc3ccc(S(=O)(=O)N(C)C)cn3)cc2Cl)C1	1321191236	AINHVPPKGWMJFP-HNNXBMFYSA-N	422.982	3.834	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccco2)C3)cc1	1845398270	SSIKVYZPFOZRRV-UHFFFAOYSA-N	403.482	3.818	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CCCc3nc(-c4ccc(F)cc4)no3)ccc21	109461124	GFGJXWKYVSMEIH-UHFFFAOYSA-N	408.477	3.897	10	20	HHCD	
CC(C)NC(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)c([N+](=O)[O-])c1	52428590	KYWCESRLWFIFNT-UHFFFAOYSA-N	414.531	3.898	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2)SC1=S	28843731	NKNAXIYEWSHXNG-SAPNQHFASA-N	404.557	3.831	10	20	HHCD	
CCCCOCCN(C(=O)c1ccoc1CC(N)=O)c1cccc(Br)c1	512723208	PVDHSLQLKQWTCL-UHFFFAOYSA-N	423.307	3.533	10	20	HHCD	
CC(C)c1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccn1	145670241	FGRPPPFRKZPULG-GOSISDBHSA-N	419.529	3.718	10	20	HHCD	
CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	141899904	LJNDJRAVEVYOIE-MRXNPFEDSA-N	412.490	3.974	10	20	HHCD	
COCCc1cc(O)ccc1NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2	444601049	YKLYZDMQVGRFIF-UHFFFAOYSA-N	421.541	3.941	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnc(C3CCCC3)nc2N)cc1	806382799	WTNUPUZCQZGWDH-FQEVSTJZSA-N	423.561	3.604	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](OCCOC)C1	802019737	UJHMDDUGZDAHPI-FQEVSTJZSA-N	409.534	3.614	10	20	HHCD	
C[C@H](N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	800996242	PYEULNPNMHAPBY-PXNSSMCTSA-N	412.509	3.619	10	20	HHCD	
CC[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cccc(Cl)c1O	806134618	LTVSLTABWNNGEQ-HXUWFJFHSA-N	404.938	3.998	10	20	HHCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)[S@@]1=O	807331443	JSVFNQACYWVCBP-NPAIAAHTSA-N	412.515	3.799	10	20	HHCD	
CCS[C@H]1CCC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)C1	809235523	LDPGZSVGUHZVDD-QUCCMNQESA-N	405.608	3.672	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1N(C)C	802609430	BPSCSXQKIOTRSQ-UHFFFAOYSA-N	403.910	3.879	10	20	HHCD	
Cc1nnc(COCC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1	803241989	HMCUPIFOELKPDM-ZDUSSCGKSA-N	408.955	3.569	10	20	HHCD	
CC(C)N1CC[C@@H](CNCc2cc(Br)cc(Br)c2O)C1	809735761	RQPILCCDZZEXRO-NSHDSACASA-N	406.162	3.737	10	20	HHCD	
CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1cc(Br)ccc1O	807386764	IFTRSDXHLUJEEF-UHFFFAOYSA-N	405.292	3.707	10	20	HHCD	
C[C@@H](CO)N(Cc1cc(Br)cc(Br)c1O)CC1CCC1	809664285	CLYHDYSVDWEGQG-JTQLQIEISA-N	407.146	3.900	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H]1CCCC12CCOCC2	800021195	IIKOBWQPUGSRTR-LPHOPBHVSA-N	423.504	3.905	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2csc(-c3ccccn3)n2)SC1=S	727176324	JQLNALMTCKNSFN-DHDCSXOGSA-N	418.613	3.994	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)ccc21	726250489	XIMAEDUEOBENOA-GOSISDBHSA-N	416.566	3.515	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	729392491	PWQXDUWACONVND-SFHVURJKSA-N	412.534	3.818	10	20	HHCD	
CC[C@H]1CCc2c(sc(=O)n2CN2CCCN(c3ccc(OC)cc3)CC2)C1	728045111	OWCQQGLWSQFRFS-KRWDZBQOSA-N	401.576	3.603	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCCCc3cccs3)cc2)C1	731457463	OWPCVRNUWMNBEI-IBGZPJMESA-N	413.587	3.869	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C)Cc3scnc3C)c2C)cc1	731214423	NPOCCFKEVBNPDM-UHFFFAOYSA-N	411.527	3.960	10	20	HHCD	
CC(C)OC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	730580502	TWMGSSRPYNAWHI-CALCHBBNSA-N	407.530	3.538	10	20	HHCD	
CC[C@H]1CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	735310726	CTCVVYLSNSZPQZ-OTWHNJEPSA-N	405.558	3.568	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)N[C@@H](C)c3cccs3)cc2F)CC1	730156366	IWHIXAJINYQAAF-HNNXBMFYSA-N	406.596	3.754	10	20	HHCD	
CCS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731015524	VLSRZNLMNXBJPU-UHFFFAOYSA-N	400.544	3.647	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1F	731409107	LGGCDWIGJONSGI-UHFFFAOYSA-N	424.476	3.945	10	20	HHCD	
COCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1	732064743	DCORJFDQPBXZRZ-HSZRJFAPSA-N	412.530	3.599	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)c1O	737285666	LHFRSVGUSARQSK-UHFFFAOYSA-N	410.401	3.587	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCc3nnc(S)n3C(C)C)c2C)cc1	731440117	CIHLVCPYATYSCX-UHFFFAOYSA-N	413.547	3.536	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c(C)n1-c1cccc(Br)c1	746652375	ZZXCXTPIVAOJIK-HNNXBMFYSA-N	418.335	3.584	10	20	HHCD	
COc1ccccc1[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)N1CCCC1	746985034	KLIJCPNDAMRXAJ-HSZRJFAPSA-N	422.573	3.714	10	20	HHCD	
Cc1oc2c(CN3CC[C@H](N4CC=CC4)C3)c(O)ccc2c(=O)c1-c1ccccc1	742162814	JVAKPERCJPSKNU-IBGZPJMESA-N	402.494	3.920	10	20	HHCD	
Cc1csc(C(C)(C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1	744403721	WZMFABZIGMZZGZ-UHFFFAOYSA-N	419.506	3.690	10	20	HHCD	
COCCOc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742798426	NJAJYHKXQCJGRD-MRXNPFEDSA-N	420.456	3.712	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cc(F)cc2c1OCOC2	743809259	OUWRUYXXXDFJOK-UHFFFAOYSA-N	424.266	3.752	10	20	HHCD	
COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	918217312	AOBNWRJPOSJCRE-NRFANRHFSA-N	413.493	3.718	10	20	HHCD	
C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	742415848	AHFDAYANCAYBFA-HNNXBMFYSA-N	414.579	3.574	10	20	HHCD	
CSc1ncc(Cl)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	918140749	PLCMHCWIKBUAFL-VXGBXAGGSA-N	424.929	3.535	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](N2CCCC2)C1	745906125	WUXIFHPCEVCOIT-IEBWSBKVSA-N	422.520	3.527	10	20	HHCD	
CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)s1	917218235	BZBAWVGJNURMAJ-UHFFFAOYSA-N	407.542	3.617	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)n1	742390630	KHJBKNDMUNPHEL-OAHLLOKOSA-N	412.465	3.572	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)/C=C\c3ccc(F)cc3)cc2F)C[C@@H](C)O1	747248238	LTXGOMQEUIYVAS-YQYKAEFUSA-N	422.497	3.669	10	20	HHCD	
O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)NCc1c(O)ccc2c1CCCC2	743503832	BLQYENMNPJUDHX-UHFFFAOYSA-N	421.541	3.897	10	20	HHCD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	745861350	KPJPRNMXKPTPBD-AZUAARDMSA-N	412.486	3.615	10	20	HHCD	
Cc1cc(Cl)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1[N+](=O)[O-]	752236831	ZTNCCSXXEJFRSE-UHFFFAOYSA-N	423.922	3.976	10	20	HHCD	
Cc1noc(C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)c2ccccc2)n1	758547395	UNALCZBBDNDXHZ-FQEVSTJZSA-N	405.502	3.544	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3csc([C@@H]4CCCO4)n3)cc2F)C[C@@H](C)O1	755578623	GOCTZUFPHGSQHL-KSMMKXTCSA-N	419.522	3.677	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1COc2ccc(Br)cc21	758407444	HNQAEFRZVKIMRH-GOSISDBHSA-N	401.304	3.842	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CCC(=O)Nc1nnc(CC(C)C)s1	769496438	JNJYJQJICQUVDI-UHFFFAOYSA-N	404.536	3.600	10	20	HHCD	
Cc1cc(C(=O)CSc2nnc(-c3cnccn3)n2C)c(C)n1-c1ccccc1	768406222	FQJFWDADWAJQLO-UHFFFAOYSA-N	404.499	3.655	10	20	HHCD	
CCCCCn1cc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(C)n1	767304533	YIPZUHBQHHNEAY-UHFFFAOYSA-N	413.566	3.859	10	20	HHCD	
COc1ccc2c(c1)CCCCN2CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl	766269053	IKDYETFUNUDBTH-UHFFFAOYSA-N	422.934	3.534	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(Br)c(C(F)(F)F)c1	762268533	IXBYUUXNTLWWDW-UHFFFAOYSA-N	404.182	3.852	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@]12CCCO2	760144976	YQGHGPLWOOERMM-MQSCRBSSSA-N	401.551	3.545	10	20	HHCD	
Cc1cc(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(C)n1-c1ccc(F)cc1	769313811	IRIWHCQLJOZTTI-PKTZIBPZSA-N	413.537	3.731	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCC2(c3cccc(Br)c3)CC2)c1O	775014684	JDLHEIHPIICDBV-UHFFFAOYSA-N	407.264	3.893	10	20	HHCD	
CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	771098944	BCMDQXNFPSXGLT-AWEZNQCLSA-N	412.627	3.913	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)c(F)c1	773120278	MNMSKJFTSKIGJT-OXJNMPFZSA-N	415.484	3.648	10	20	HHCD	
Cc1cc(CC(=O)N2CCC3(CCN(C)C3=O)CC2)c(C)n1-c1ccc(Cl)cc1	770793805	CLTOWRYUJRXDLR-UHFFFAOYSA-N	413.949	3.761	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2F)CC1	1115862748	FWYQWENNUUXFHJ-XMHGGMMESA-N	413.543	3.983	10	20	HHCD	
CC[S@](=O)c1ccccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771069623	ZXBILYMMZJEPSM-HPGBDJQBSA-N	420.962	3.568	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)c1	772681480	SSDZLPKUAZUQQB-NSHDSACASA-N	402.401	3.962	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1csc(-c2ccoc2)n1	777826858	UBZZBYADXARJEB-UHFFFAOYSA-N	406.847	3.578	10	20	HHCD	
CN1CCN(c2ccc(CNC3(c4ccc5c(c4)OCCO5)CCCC3)cc2)CC1	771827579	LGZZERUMGRGELM-UHFFFAOYSA-N	407.558	3.769	10	20	HHCD	
COc1cccc([C@@H]2[C@H](C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC(=O)N2C2CC2)c1	773013371	XHEURKNNSFSVFZ-XTZPKPCCSA-N	421.541	3.691	10	20	HHCD	
C[C@H](NCC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(N(C)C)cc1	775831821	VAMISQJMDMTKPF-AWEZNQCLSA-N	403.910	3.857	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc2ccccc12	775040682	XYNVQVJINJBLQW-SFHVURJKSA-N	401.510	3.934	10	20	HHCD	
CCOC(=O)C1CCN(C(=O)CN(C)c2ccc(OCc3ccccc3)cc2)CC1	781964600	WWGGFWHDCQTLLK-UHFFFAOYSA-N	410.514	3.504	10	20	HHCD	
COC(=O)c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)c(Br)c1	789129599	HDVVNRNYROHDDY-GXDHUFHOSA-N	409.305	3.692	10	20	HHCD	
O=C(NCCc1nc(Cc2ccccc2)no1)NCc1cc(Cl)cc(Cl)c1O	1122014395	FHJMRQZMOOAVSJ-UHFFFAOYSA-N	421.284	3.715	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)c(Br)c3)c2)CC1	781045699	OEFZBOUAMIKNTD-UHFFFAOYSA-N	416.319	3.678	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2nc(C(C)(C)C)cs2)C2CC2)cc1	789383452	XRHZIYPSYFFEFP-UHFFFAOYSA-N	400.548	3.636	10	20	HHCD	
C[C@H](NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1	783309663	LXQZEHQGGONLDE-GMBSWORKSA-N	404.448	3.797	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCN(c2ccccc2)C1	788874786	OAWYDWHEZDAFDL-OAQYLSRUSA-N	424.614	3.956	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc2c1CCO2)c1ccc(N)cc1	797054735	KXZAELZLGJJKKW-MRXNPFEDSA-N	401.466	3.937	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1	797649041	NRIPRRMTNUHLNF-DZGCQCFKSA-N	420.893	3.919	10	20	HHCD	
CC(=O)N1CC[C@H](CN(C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	799994335	KNAFFSNFYGSTFF-VQIMIIECSA-N	420.985	3.586	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)c(O)c1	792971168	YNMHMOLZHVWQQP-UHFFFAOYSA-N	420.465	3.757	10	20	HHCD	
COc1cc(O)c(CNc2ccc3c(c2)N(CC(F)F)C(=O)CS3)cc1OC	793609039	MPQHTKJUGKKFQR-UHFFFAOYSA-N	410.442	3.725	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3csc(-c4ccc(O)cc4)n3)CC2)cc1	1323193360	PIVCWFUQMQGXCB-UHFFFAOYSA-N	409.511	3.877	10	20	HHCD	
CCOC(=O)[C@@H](NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)[C@@H]1CCCOC1	1320804227	GEKCGTWXAVFHFV-UZLBHIALSA-N	418.921	3.836	10	20	HHCD	
COCCc1noc(CN(C)C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)n1	1332395342	FJBDSXKWNSWKND-UHFFFAOYSA-N	402.882	3.592	10	20	HHCD	
CO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1	1791632711	LDVKEGPIGHFACT-LBPRGKRZSA-N	418.877	3.534	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)c3ccccc3)c2C)cc1	11027145	HXIFYDFWARQIPP-UHFFFAOYSA-N	404.466	3.558	10	20	HHCD	
Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	55522815	PEFGUMXOQDNCMV-UHFFFAOYSA-N	415.490	3.546	10	20	HHCD	
Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc(C)c(O)c3O)cs2)cc1	110529658	INBMRSCGWGNHAT-UHFFFAOYSA-N	412.467	3.709	10	20	HHCD	
Cn1cc(CNCc2ccc(N3CCSCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1	237776695	JDGVWCRPNXOJAE-UHFFFAOYSA-N	423.542	3.838	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccccc1CNCc1ccc(N2CCCCC2)cc1	236721481	WZEFKMREYWYHJZ-UHFFFAOYSA-N	415.603	3.795	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)cc1)C1=S=CC=C1	445999201	SFNDVNFIANDGPC-UHFFFAOYSA-N	415.434	3.670	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1Oc1ccncc1	801112951	BUGQFMPIRYBPND-UHFFFAOYSA-N	403.482	3.983	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@H]2CCC23CCOCC3)NC(=O)OC(C)(C)C)cc1	800487553	HJWZHQMDZLKGTP-PMACEKPBSA-N	403.567	3.867	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1csc(C(C)(C)C)n1	807925246	LMHRKVNOPHVAQD-UHFFFAOYSA-N	417.575	3.634	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](COC)c1ccc(Cl)cc1	808623702	PBRKTWPQEYNNAR-IBGZPJMESA-N	418.921	3.678	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)cc1	809579929	IJFFXQKPVRSFKG-ZRBLBEILSA-N	422.525	3.565	10	20	HHCD	
O=C(NCc1ccccc1CN1CCOCC1)NCc1cc(Cl)cc(Cl)c1O	804869748	CFJSKBRNLLBSFE-UHFFFAOYSA-N	424.328	3.531	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(-c2ccc(Cl)cc2F)n1C	800770983	CCRGSBJMZGLJFV-UHFFFAOYSA-N	415.900	3.748	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccnc(OCc2ccccc2)c1	804253479	ZMMYFAJWPOYJFS-UHFFFAOYSA-N	423.856	3.988	10	20	HHCD	
COC(=O)N1CCN(c2ccc(NCc3cc(Cl)cc(Cl)c3O)cn2)CC1	815157207	LYXHJHCOECYZBM-UHFFFAOYSA-N	411.289	3.595	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3CCCN(Cc4ncccn4)C3)ccc21	810742000	KLDNZFIOKKZRHS-HXUWFJFHSA-N	422.529	3.516	10	20	HHCD	
C[C@@H]1CCCN(c2cc(C(=O)NCc3cccc(Br)c3O)ccn2)C1	812558069	SXBTYUVBJCVCHS-CYBMUJFWSA-N	404.308	3.716	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3cn(-c4ccccc4)nn3)ccc21	728639670	RPKQGAZZAMZPHG-UHFFFAOYSA-N	404.470	3.842	10	20	HHCD	
COC(=O)[C@@H]1CC12CCN(C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CC2	733848339	NCXOFTMLSPXJQD-NRFANRHFSA-N	413.562	3.940	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	731761333	GJIQKZOPWMXFAF-UHFFFAOYSA-N	412.490	3.806	10	20	HHCD	
O=C(CCCOc1ccc(F)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	919969306	TZNXLBQVSAJEEJ-UHFFFAOYSA-N	400.494	3.510	10	20	HHCD	
CCOC(=O)N[C@H](CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1)CC(C)C	731049877	UEECFAMSUUISEF-FQEVSTJZSA-N	418.582	3.883	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C[C@@H](C)c3ccc(F)cc3)CC2)cc1	918147666	MTKSWHYUSNCUSZ-LJQANCHMSA-N	413.537	3.656	10	20	HHCD	
COCCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F	919914727	WGKNWEKDXLDHIP-SFHVURJKSA-N	418.465	3.770	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccc(CNC(=O)c4cccs4)cc3)ccc21	746812728	JSAPVCLKQFCJMU-UHFFFAOYSA-N	419.550	3.991	10	20	HHCD	
CSc1ccc(Cl)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	743957856	DLWKYCKRBPSYED-UHFFFAOYSA-N	404.919	3.901	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1	914505753	QHTDTFROKMCRAS-UHFFFAOYSA-N	410.486	3.800	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc(OC)c1C	917709978	LGTIXTZBKDDNED-HUUCEWRRSA-N	416.493	3.695	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](COC)Cc1ccccc1	746778358	AHDJQPYVEDXATF-GOSISDBHSA-N	421.335	3.944	10	20	HHCD	
CCOc1ccccc1N1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	914846027	NXKUGZZRECXRRJ-UHFFFAOYSA-N	404.514	3.850	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1	918461019	NHARAQZUAXRPMU-UHFFFAOYSA-N	409.530	3.670	10	20	HHCD	
CCOC(=O)c1ccsc1NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1	917074291	VYAYROCXUUCKGQ-UHFFFAOYSA-N	401.532	3.594	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCN(C2CCOCC2)CC1	747472137	VTVLSISRWCDQRQ-UHFFFAOYSA-N	405.336	3.605	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1F	915291096	VEWGOOMSQIGPKH-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCc1ccccc1O	748349407	GCBADMHIRFILHV-UHFFFAOYSA-N	417.387	3.713	10	20	HHCD	
C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	753950891	WXFNKXUNTNCYMP-LPHOPBHVSA-N	413.949	3.537	10	20	HHCD	
COc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1OCc1cscn1	753644417	MGBGDTPJVZHPNU-ZDUSSCGKSA-N	414.483	3.503	10	20	HHCD	
CCOC(=O)C1=C(CSc2ncc(C(C)(C)C)s2)NC(=O)N[C@@H]1c1ccco1	759719780	MQAYKVYOCNBWDL-OAHLLOKOSA-N	421.544	3.997	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C)CCc3nccs3)c2C)cc1	753263982	BOJFDTNRQYNYFU-UHFFFAOYSA-N	411.527	3.694	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cs1	751136219	GEBZQZXUNXGPTA-UHFFFAOYSA-N	409.529	3.764	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	752149853	OMUSKUFQVZZMPV-SOUVJXGZSA-N	418.513	3.647	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccc(Br)cc1	750826935	ZBDJGSZJCMKZMF-INIZCTEOSA-N	410.239	3.500	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F	755580987	RZTUTFVFGFBMRE-RHSMWYFYSA-N	402.422	3.751	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NCc1cccc(Br)c1O	764807801	WCHSXTIMBRPAIA-GTNSWQLSSA-N	411.271	3.869	10	20	HHCD	
COc1ccc(Br)cc1[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768444960	ONRZOCOLSGYMJA-AEFFLSMTSA-N	420.303	3.926	10	20	HHCD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3cccc(Br)c3O)c12	765764032	FWUAQDQUIRVSEF-UHFFFAOYSA-N	415.291	3.552	10	20	HHCD	
COc1ccc(/C=C/C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1O	773195481	TZUNTZVHTJKNAU-QHQPLOKBSA-N	418.440	3.801	10	20	HHCD	
CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	770831379	QTFCQQFNQOCCKO-HTAPYJJXSA-N	415.509	3.580	10	20	HHCD	
COc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1Br	774955981	POKPATGNQSRRDQ-JTQLQIEISA-N	411.252	3.931	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)COC(=O)/C=C/c3ccc(O)c(O)c3)c2)cs1	772770837	UZZPSCJZOZPFRD-SOFGYWHQSA-N	410.451	3.725	10	20	HHCD	
COc1cc(Br)cc([C@@H]2NC(C)(C)C(=O)N2CC2CCCCC2)c1O	877856329	AZGMXNPIVAZYJP-QGZVFWFLSA-N	411.340	3.953	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c2ccccc12	778001363	SOLKQLOOZHAZTI-UHFFFAOYSA-N	411.527	3.651	10	20	HHCD	
COCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1	774698663	BILPUVZQBFPWGV-UHFFFAOYSA-N	402.497	3.692	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](c2ccc(Cl)cc2)c2nccn2C)c1O	774966766	ZXEKVCIPDYQUNP-INIZCTEOSA-N	402.838	3.575	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1(c2ccc(F)cc2F)CCC1	777209969	AOJPJQIYJVZIJU-UHFFFAOYSA-N	416.468	3.654	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccc(F)cc2C(F)(F)F)c1	775376714	YMNMCASSVKKQLL-NSHDSACASA-N	400.372	3.526	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@@H](O)[C@@H](C)C2)sc(C)c1-c1ccccc1	778255693	SFWXRFDKXBHKBE-WMLDXEAASA-N	416.543	3.541	10	20	HHCD	
CCOc1cccc([C@H]2C[C@H]2NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	775778342	NGUNDKYQKWGAFW-DHIUTWEWSA-N	409.530	3.872	10	20	HHCD	
COc1cc(Br)cc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O	780575835	GGSBVRQWYFNJDX-ABAIWWIYSA-N	412.246	3.737	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H](c1ccccc1)C1CCCC1	788913698	YKFYCKARLOSONO-HSZRJFAPSA-N	405.542	3.951	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	784109057	NMUPXJGOFTXCOS-UHFFFAOYSA-N	416.865	3.992	10	20	HHCD	
Cc1nnc(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)s1	780755588	LFAOMWVXGJIYSD-UHFFFAOYSA-N	405.321	3.947	10	20	HHCD	
C[C@H]1CN(C2CCOCC2)CCN1Cc1c(O)ccc2cc(Br)ccc12	782897633	IWTPSIIBRWZQMC-HNNXBMFYSA-N	419.363	3.993	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H]([C@H](C)O)C2)c(C)n1-c1cccc(Br)c1	780357301	CKXPAOCKWOOHDG-HOTGVXAUSA-N	405.336	3.742	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1	784109420	RNMQDKRSWCXCSK-QFIPXVFZSA-N	423.513	3.598	10	20	HHCD	
CCc1cnccc1[C@@H](C)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	783017593	VWFJLCBCUSVFPK-OAHLLOKOSA-N	413.477	3.709	10	20	HHCD	
COc1ccc(N2CCC(NCc3ccc(OC4CCN(C)CC4)cc3)CC2)cc1	793564580	DZZMNSBMIASOMM-UHFFFAOYSA-N	409.574	3.927	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3ccc(S(C)(=O)=O)cc3)ccc21	791840969	CGHDCSPIKQBXKQ-UHFFFAOYSA-N	415.511	3.665	10	20	HHCD	
CC[C@@H]1NC(=O)N(c2cccc(NCc3cc(Br)cc(C)c3O)c2)C1=O	793347747	QRFDJCRDQFYZDZ-INIZCTEOSA-N	418.291	3.910	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3scc(C)c3Cl)CC2)cc(OC)c1OC	790888372	HVBZNXYYWWXUJZ-UHFFFAOYSA-N	410.923	3.698	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	793106398	PYBVCYGEHUAXAV-GOSISDBHSA-N	419.591	3.502	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)cc2F)SC1=S	799201052	OUXQWMDWIQGSQE-GHXNOFRVSA-N	418.309	3.743	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccn2)cc1	792050346	FWGLFRPOIKSLMH-XMMPIXPASA-N	416.525	3.815	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3c3cccc(Cl)c3)CC2)cc1	1317879985	FOWQLJMSUVMVFM-JOCHJYFZSA-N	413.949	3.834	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@H]4CCCC[C@@]43c3ccccc3)nc12	1324255529	NOCXXNGBLJXJPE-UZUQRXQVSA-N	406.486	3.513	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)cc3C)CC2)cc1	1325216478	BKUMPORTXSSCCA-UHFFFAOYSA-N	408.477	3.681	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(-n2cccn2)c(F)c1	1330334364	LZBVWQZYPMPZET-KRWDZBQOSA-N	411.500	3.753	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cnn(C)c4)cc3)SC2=S)cn1	1256381550	GOQSSPFSDBMLPV-RQZCQDPDSA-N	408.508	3.897	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3cccnc3Cl)sc2n1	14152211	ZMUFFGJCOAKPJK-JTQLQIEISA-N	404.879	3.728	10	20	HHCD	
Cc1nn(C)c2ncc(/C=C3/CCn4c3nc3cc(C(F)(F)F)ccc3c4=O)cc12	303100050	HFMIMRNRPXYHGQ-QPEQYQDCSA-N	411.387	3.950	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)c1ccc2nnc(-c3ccsc3)n2n1	302519863	YRAPRPRKEIRHBC-KRWDZBQOSA-N	407.499	3.744	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCC2CCN(Cc3cccs3)CC2)cc1F	145361709	CHWXMQQFSLSNQU-UHFFFAOYSA-N	404.555	3.665	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)C2CC2)cc1	807504406	ACGWLTMWLYRKNX-TZIWHRDSSA-N	423.532	3.835	10	20	HHCD	
COCCn1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1	800533603	FCHNXLHERJYDNL-OAHLLOKOSA-N	405.930	3.741	10	20	HHCD	
Cc1nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[nH]c1C	814777134	MVXUNFNFKURNCJ-ZDUSSCGKSA-N	405.479	3.921	10	20	HHCD	
COc1cccc(CNC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1O	725845831	JJQBBMHNPFENTE-RDTXWAMCSA-N	408.901	3.745	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)cc1	727861331	RLFFMJLYLHRRFQ-PTNGSMBKSA-N	409.579	3.596	10	20	HHCD	
COc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1	732910949	JWXQGXOAOYPMFP-UHFFFAOYSA-N	412.496	3.805	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1F	731408729	VFTUCHLSVKPBAH-UHFFFAOYSA-N	422.298	3.689	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1	735864622	VAKCXEXTDDGAAD-UHFFFAOYSA-N	411.502	3.838	10	20	HHCD	
CCc1cc(N2CCC[C@H](NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)ncn1	732914268	KMXOJUAGRYACNA-FQEVSTJZSA-N	424.549	3.696	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(NC(=O)c2ccco2)c1	916745606	XREDCCPMDXYAKZ-UHFFFAOYSA-N	419.481	3.641	10	20	HHCD	
COC(=O)c1cc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(F)cc1F	918036297	PLAWDDGNERDINY-UHFFFAOYSA-N	419.428	3.504	10	20	HHCD	
Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c12	919969216	QMGJIWHJMLPOJE-UHFFFAOYSA-N	422.529	3.793	10	20	HHCD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	742644441	GQNUFIFCUNHGNM-NOXFTYBFSA-N	419.585	3.958	10	20	HHCD	
C/C(=C\C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1	919543594	AKFQBIYXJGLVKD-YPDDLIOESA-N	403.434	3.689	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1F	915290343	PACMQUKYTGIUTG-UHFFFAOYSA-N	406.460	3.830	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1N1CCCC1	742799684	MNYRXNJWVYVEEK-INIZCTEOSA-N	416.472	3.682	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3Cc4ccccc4C[C@@H]3C)cc2F)CC1	745808342	KKQORABRJAVKPJ-SFHVURJKSA-N	410.537	3.624	10	20	HHCD	
CCN(CC)C(=O)N1CCC(C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	743430674	NPIPERVKMGSUHN-UHFFFAOYSA-N	413.518	3.688	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cncc(Br)c3)cc2F)C[C@@H](C)O1	917711804	NZLZNFUCWOULNY-CHWSQXEVSA-N	422.298	3.527	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)c1	741096262	WQEBCEQVEVUZHE-MRXNPFEDSA-N	411.502	3.597	10	20	HHCD	
Cc1ccnn1-c1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	917711134	LJNYEOUYKOJZCO-QZTJIDSGSA-N	422.504	3.863	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCNC(=O)c1ccccc1Cl	917514345	ASNHYIWFNQXKRR-UHFFFAOYSA-N	401.919	3.969	10	20	HHCD	
CC(C)(C)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	918294894	MFAYBAJSFZRPFE-HXUWFJFHSA-N	410.514	3.836	10	20	HHCD	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCCC2)cc1	915082493	MAEWTTSOZPALPW-UHFFFAOYSA-N	406.313	3.640	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccccc1)N1CCOCC1	745511651	FXHXKXRZQPMGEF-XMMPIXPASA-N	424.589	3.746	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1nc(-c2ccccc2F)cs1	741100257	VWCIMRAWKROPFX-UHFFFAOYSA-N	422.485	3.580	10	20	HHCD	
Nc1nc(CN(Cc2ccco2)Cc2ccccc2O)nc(Nc2ccc(F)cc2)n1	751480340	UYIRWRPIVHWUIV-UHFFFAOYSA-N	420.448	3.838	10	20	HHCD	
CC[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c(C)noc1C	754542986	FHNINNNZVCDMCL-FQEVSTJZSA-N	417.465	3.746	10	20	HHCD	
O=C(c1ccc(Br)c(O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	750824945	FDRSFCPJHJSLJL-HNNXBMFYSA-N	406.276	3.682	10	20	HHCD	
CC(C)N(C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1	751930084	ABLIHEUGMRCAAG-UHFFFAOYSA-N	409.511	3.915	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3cc(OC)ccc3O)CC2)cc1	756498257	WRIKZUAUHFMGAW-MRXNPFEDSA-N	418.559	3.514	10	20	HHCD	
C[C@@H](N[C@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)cc(Cl)c1O	756574927	HIGLBQAOGVHBIU-OCCSQVGLSA-N	416.791	3.627	10	20	HHCD	
CC(C)COC(=O)N1CCC(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CC1	751302138	JFLDVWJHAXVKMC-UHFFFAOYSA-N	421.501	3.839	10	20	HHCD	
COc1ccc(OCCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	761981060	FSHLNVAAHDRLFA-GOSISDBHSA-N	418.921	3.604	10	20	HHCD	
COCCC1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	769598789	FNDNSMOXDODWHU-NTCAYCPXSA-N	424.613	3.662	10	20	HHCD	
C[C@H](c1ccc(-n2cccn2)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761619955	PBVTZNWGGIBWJN-CQSZACIVSA-N	410.861	3.757	10	20	HHCD	
Cc1cc(C)nc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	765300308	OSHVZMFGOMJJEZ-UHFFFAOYSA-N	408.424	3.876	10	20	HHCD	
COc1ccsc1/C=C1\SC(=S)N(CCc2ccc3c(c2)OCCO3)C1=O	764412709	UFNNVCHJKXULRP-BOPFTXTBSA-N	419.549	3.972	10	20	HHCD	
CCN(CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)c1ccc(OC)c(OC)c1	767888375	FJSVDDYYUXEVMX-UHFFFAOYSA-N	409.490	3.571	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1	766011964	QWKBDNYJNDIBOO-AEFFLSMTSA-N	407.530	3.712	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nc3ccccc3[nH]2)cc1	1116313952	JWHWKYGDXGLEQH-IBGZPJMESA-N	424.570	3.929	10	20	HHCD	
COc1ccc(N2CCCN(Cc3cc(Br)cc(OC)c3O)CC2)cc1	768997867	ITIWFSRALDBBIH-UHFFFAOYSA-N	421.335	3.884	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1COc2ccc(F)cc2C1	1116405558	VUBMVQWINJFQHW-OAHLLOKOSA-N	420.431	3.763	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@@H]1CCCN1Cc1ccccc1	764781625	ADRWMCKYCVFZDH-KRWDZBQOSA-N	418.335	3.619	10	20	HHCD	
C[C@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)c1ccc(N(C)C)cc1	773622686	HREAUQPJSLQEOW-SCLBCKFNSA-N	406.324	3.609	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3C3CCOCC3)cc2F)C[C@@H](C)O1	776897116	SJNUEOUGLRVETK-LZJOCLMNSA-N	419.541	3.540	10	20	HHCD	
Cc1ccccc1-n1nccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	775366182	SZZDHHXITRTUQB-UHFFFAOYSA-N	405.502	3.681	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	770017443	DNWDLAKZJILBSG-UHFFFAOYSA-N	404.854	3.749	10	20	HHCD	
O=C(O)c1ccoc1CSc1ccccc1C(=O)N1CCS[C@@H]2COCC[C@H]21	776687785	YFENEFZDSBVHPF-CRAIPNDOSA-N	419.524	3.617	10	20	HHCD	
COc1cccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1F	771516333	ADMRGERKGZIXAB-UHFFFAOYSA-N	422.459	3.655	10	20	HHCD	
CC[S@@](=O)c1ccccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771069624	ZXBILYMMZJEPSM-JYRCXFKTSA-N	420.962	3.568	10	20	HHCD	
Cc1ccc(-n2cc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cn2)c(C)c1	786200923	DQEQQBINANUQAJ-UHFFFAOYSA-N	419.529	3.990	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)n(-c2ccccc2)n1	784114149	XIFVAEIWWLUPNV-UHFFFAOYSA-N	417.513	3.925	10	20	HHCD	
O=C(NCCc1ccccc1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O	786693382	YNZCIYBRUYOPGB-UHFFFAOYSA-N	412.873	3.526	10	20	HHCD	
CC(F)(F)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1	782105524	USLHCNUQGFITAB-UHFFFAOYSA-N	419.497	3.606	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)ccc21	780360630	YXBDPZFCCBXSFK-IBGZPJMESA-N	416.566	3.658	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c(C)c1	788089174	DXFBERNLTFBBBM-UHFFFAOYSA-N	423.538	3.596	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(CN4CCCCC4)cc3)c2)CC1	781048559	YGSUTEVWBPJYCN-UHFFFAOYSA-N	420.557	3.593	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Cc3coc4c(C)c(C)ccc34)cc2)CC1	786257656	RVAGHQJMTSKBQM-UHFFFAOYSA-N	419.525	3.577	10	20	HHCD	
CN1CCN(CCC(C)(C)NCc2ccc3c(c2)CCN3Cc2ccccc2)CC1	796356573	MHSPDCRRXXKOMT-UHFFFAOYSA-N	406.618	3.755	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H](C)c1ccc(Cl)cc1	792977578	MDHZCEBEUSSVHL-DLBZAZTESA-N	406.979	3.857	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)cc1	1319870921	QWBHQJAUDDUOAL-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
Cc1cc(-c2nnc(-c3ccc(S(=O)(=O)N(C)C)o3)o2)c(C)n1-c1ccccc1	1322828422	PDYOTFQRCVXUNM-UHFFFAOYSA-N	412.471	3.654	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](C)OC(C)C)C2)cc1	1844330138	WIKUECZYRTUYRP-FQEVSTJZSA-N	423.557	3.725	10	20	HHCD	
CCOc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCc1ccccc1	26763636	ZGKYEYOOTZQCGR-QNGOZBTKSA-N	424.522	3.967	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1	64239723	KPMSNQHIGBPTRW-UHFFFAOYSA-N	414.513	3.828	10	20	HHCD	
Cc1cc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(C)c1Cl	302978677	UQVNLRNNYVEUCS-UHFFFAOYSA-N	402.922	3.831	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3sccc3OC(F)F)cc2F)CC1	303301408	MVZFLFLLQDHFHO-UHFFFAOYSA-N	413.465	3.561	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(OC4CCCC4)cc3)ccc21	60750287	TUZCKSAZITUKQC-UHFFFAOYSA-N	407.514	3.645	10	20	HHCD	
CC(C)Oc1cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)ccn1	547100535	RALOLYRLCIASMK-UHFFFAOYSA-N	406.467	3.802	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccn1	805391272	ZRROSQYOKKWZNR-UHFFFAOYSA-N	403.360	3.943	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(-c2ncco2)c1	807513281	XRNVDPWZCWHBCG-UHFFFAOYSA-N	406.225	3.609	10	20	HHCD	
Cc1cccc(C2(CNC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)CCCC2)c1	804357780	OEKYRYDWVYHLAE-UHFFFAOYSA-N	417.553	3.616	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(Cl)ccc1C(C)(C)C	802572887	LEXXNIVJNXFYSG-GFCCVEGCSA-N	404.894	3.735	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1	807099453	WEIXWCJUSQOQQX-SFHVURJKSA-N	416.525	3.617	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1	806901395	XTYJVZKXQSDMQN-UHFFFAOYSA-N	412.490	3.579	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)OC2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	808884523	DJENGGKMYGVRJB-OAHLLOKOSA-N	417.412	3.749	10	20	HHCD	
CC[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	813358034	WHPNJGLLJDHGDC-INIZCTEOSA-N	418.877	3.978	10	20	HHCD	
Cc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c2c(C)nn(C)c2n1	818857352	BVAZYADGOBREIB-UHFFFAOYSA-N	401.514	3.965	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N(C)C3CCN(C(=O)c4ccccc4)CC3)ccc21	727601561	CAQZVAVGEKEEOK-UHFFFAOYSA-N	420.557	3.515	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Br)cn3)cc2F)C[C@@H](C)O1	727307624	RDHIIZSSLYUJQK-CHWSQXEVSA-N	422.298	3.527	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCOc3ccc(CCC(C)=O)cc3)CC2)cc1	726561586	FWPGHFVJUBFROS-UHFFFAOYSA-N	424.541	3.771	10	20	HHCD	
COc1cccc([C@H](C)N2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)c1	729047629	KEUOZHIYXVVUOM-FQEVSTJZSA-N	422.573	3.884	10	20	HHCD	
CC(=O)Nc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1	728839470	PJENKLXDEGZFAL-UHFFFAOYSA-N	407.436	3.845	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCN(c4ccccc4F)C3=O)c2C)cc1	732788263	ANIIYTFTQHSUNU-NRFANRHFSA-N	421.472	3.777	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	730143642	ZQEYZVNAQSBCEZ-GOSISDBHSA-N	404.555	3.541	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2C)c1O	737279137	VIBOYMWYAGEKPJ-UHFFFAOYSA-N	402.516	3.855	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)C2CC2)cc1	730168547	LMUYDURUPYZRQZ-LJQANCHMSA-N	403.592	3.581	10	20	HHCD	
CN(CCc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	733342650	KHRDVJSUVOYFCK-UHFFFAOYSA-N	405.901	3.700	10	20	HHCD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1	732250357	ZEMZCYQKCRZFJD-HXUWFJFHSA-N	416.610	3.818	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1	730136671	ROMZFFJOYCCFFQ-GOSISDBHSA-N	402.489	3.841	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	730111638	VDGMHIHPBBUVJD-INIZCTEOSA-N	404.555	3.587	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)c1c(F)cccc1Cl	730585194	ROYDUIPUZYOBSB-UHFFFAOYSA-N	417.912	3.858	10	20	HHCD	
CCOCCN(CC)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	730755142	PQDYODACNJBAKT-FYWRMAATSA-N	412.602	3.615	10	20	HHCD	
CSCCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	736040888	WIHMURLMMBNXLN-QBFSEMIESA-N	400.616	3.599	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(C)ccc3N3CCCC3)cc2F)CC1	735011093	QNRNSCULOOUXDT-UHFFFAOYSA-N	424.564	3.806	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1OC	918208773	RNVUIPLIHCHIGU-HXUWFJFHSA-N	415.509	3.746	10	20	HHCD	
O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)Nc1ccc(N=Nc2ccccc2)cc1	746022084	VMYYAVQJFNLQLU-QKKBWIMNSA-N	406.446	3.602	10	20	HHCD	
COC(=O)CCN(Cc1c(O)ccc2cc(Br)ccc12)C1CCOCC1	743406846	SRIPDFYDOBQQHF-UHFFFAOYSA-N	422.319	3.852	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc([S@@](C)=O)cc2)cc1F	749569098	MARZWONXKVRNNR-MUUNZHRXSA-N	405.539	3.751	10	20	HHCD	
O=C(NCc1n[nH]cc1Br)N(Cc1ccccc1O)C1CCCCC1	745830163	JUJGFRSEJFHHDO-UHFFFAOYSA-N	407.312	3.922	10	20	HHCD	
COc1ccc(C(=O)NCCCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	743430379	FYIYQXFEYBAFLH-UHFFFAOYSA-N	422.481	3.733	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(=O)N1CCCc2ccccc21	745772883	UNXXRIJPUIPVCB-UHFFFAOYSA-N	408.546	3.652	10	20	HHCD	
Cc1ccc([C@@H](C)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)c(O)c1	756533588	FFPQOJZNNWXZDB-HXUWFJFHSA-N	417.594	3.629	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(C)c3Br)CC2)cc1F	757051942	GPWWHRMJJKFSGT-UHFFFAOYSA-N	407.283	3.868	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1	920053951	HQPSAGQYUIEXIZ-OAHLLOKOSA-N	403.473	3.529	10	20	HHCD	
COc1cc(N2CCN(C(=O)Cc3cccc4ccccc34)CC2)cc(OC)c1OC	759226267	XDGGASKMGUZLFH-UHFFFAOYSA-N	420.509	3.757	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)c(F)cc1O	756674475	VKGUTHIUAKVDOR-SJKOYZFVSA-N	407.283	3.746	10	20	HHCD	
COc1ccc(N2CCN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1F	753857077	JGLUFYNKYVJCFK-QGZVFWFLSA-N	407.530	3.603	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2c(Br)cccc2[nH]1	751358934	RIGIKCLKIARAQP-UHFFFAOYSA-N	414.303	3.697	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(SC)c(Cl)c2)cc1	766358294	TVOOXUWXAOIXKC-UHFFFAOYSA-N	420.965	3.624	10	20	HHCD	
COc1cc(N2CCN(Cc3cnc(C)n3-c3ccccc3)CC2)cc(OC)c1OC	761220201	WEKRVPNYNFBRPE-UHFFFAOYSA-N	422.529	3.529	10	20	HHCD	
O=C(NCc1ccccc1OC(F)F)NCc1cccc(Br)c1O	764760418	FNTMXTSUFTUGND-UHFFFAOYSA-N	401.207	3.756	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2c(C)noc2n1	768915758	MQWBPDYPOLGNCV-INIZCTEOSA-N	414.893	3.593	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1	764156587	GDNCWWJWNCMKSN-YOEHRIQHSA-N	404.507	3.615	10	20	HHCD	
Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCCc1ccc(O)c(O)c1	762268367	DGQCDGMPKPZMSV-UHFFFAOYSA-N	417.918	3.696	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1	763729462	GIJHIOZDLNASIP-YVEFUNNKSA-N	405.292	3.619	10	20	HHCD	
O=C(Nc1ccsc1C(=O)NCc1c(O)ccc2c1CCCC2)c1ccncc1	769562482	CJYRMPIIFAIHOU-UHFFFAOYSA-N	407.495	3.910	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@H]1Oc1ccccc1	776272127	NGXIWXYCFJQEIM-XJUOHMSHSA-N	405.498	3.844	10	20	HHCD	
COc1nc(C)c(Br)cc1C(=O)NCc1ccc(N2CCCC2)cc1	777126211	YCHQWAWDJWDHBP-UHFFFAOYSA-N	404.308	3.691	10	20	HHCD	
CC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1NC(=O)OC(C)(C)C	775716482	BJDCEUFKFTVUEQ-IFMALSPDSA-N	416.610	3.564	10	20	HHCD	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	772597752	CAPOIZUVCKXWFL-WMZHIEFXSA-N	411.546	3.567	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)n1	773261088	GJLUBXMVLZOJKJ-INIZCTEOSA-N	407.518	3.968	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)/C=C/c2cnc(OC)nc2)cc1	775849122	KOQJZEXWKRENQR-VGOFMYFVSA-N	418.497	3.806	10	20	HHCD	
CCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1cccc(N2CCCC2)c1	779509783	HYHQHFZLSNBCCT-ZZLBYYGFSA-N	423.513	3.635	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(O)n2)c(C)n1-c1cccc(Br)c1	771499653	FOHDNAHNBZUHML-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3nc4c(s3)CCCC4)cc2)CC1	789485969	LJVSRLCAEOFUFZ-UHFFFAOYSA-N	412.559	3.513	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC2CCN(c3nccs3)CC2)cc1F	798406974	VJOWCBLRBPTHJN-UHFFFAOYSA-N	405.543	3.597	10	20	HHCD	
C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C1=O	797138149	VUMWCUJKAGAAIT-HSQYWUDLSA-N	405.498	3.752	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)nc1	792239361	BVVNAIDLDDPAIX-UHFFFAOYSA-N	411.502	3.872	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cc3c(cc2C)OCO3)n1	795605123	GLJBWBSTZBFWEL-UHFFFAOYSA-N	422.459	3.796	10	20	HHCD	
CO/C=C(\C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1	1800513721	QVEZLVYKLOLSLQ-RXAXHPCBSA-N	421.541	3.896	10	20	HHCD	
CC1=C(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)CCO1	1845398326	ANRRHTUCUNOYCI-UHFFFAOYSA-N	419.525	3.605	10	20	HHCD	
COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(OC)c1Br	18150707	AAAIDPTZUJIIGD-UHFFFAOYSA-N	407.308	3.805	10	20	HHCD	
C[C@H](NC(=O)NCCCOCCc1ccccc1)c1ccc(N2CCOCC2)cc1	140934419	MVBIMTVAXJWYSC-FQEVSTJZSA-N	411.546	3.533	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1c(C)c2ccccc2n1C	471223429	GQLMRRFVVHNGHU-UHFFFAOYSA-N	400.482	3.788	10	20	HHCD	
Cn1cc(/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)c(C2CCCCC2)n1	543116734	IXPLHFDZCUWACA-PTNGSMBKSA-N	404.470	3.820	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1	728979712	KWZUJPBKFWFSFB-CQSZACIVSA-N	412.873	3.755	10	20	HHCD	
COC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccc(OC)cc1	729385227	CTENKQVODIZAOA-OAQYLSRUSA-N	410.445	3.886	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc4ccccc4c3)cc2)C1	729599736	SHWGXDGMEOZETI-QFIPXVFZSA-N	416.525	3.541	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1F	731408049	CJGOOAKKHZGLAH-UHFFFAOYSA-N	411.399	3.946	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(Cc2ccccc2F)CC1	732243190	UGNMSWKXCCXRJU-UHFFFAOYSA-N	411.521	3.827	10	20	HHCD	
CCn1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)ccc1=O	732370176	MBDDGKKKAMOBCQ-UHFFFAOYSA-N	421.497	3.834	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cnc1Cl	735407941	UEAJDTOJVUGHOP-UHFFFAOYSA-N	409.876	3.696	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1	735821803	AWCDISANDXXFPT-GOSISDBHSA-N	405.458	3.724	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccccc2Oc2cccc(C)c2)c1O	737285602	KFYVUIWEXMKSCB-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@@H]3CCCC[C@H]3S(C)(=O)=O)c2C)c1	742183287	DFJMHQQNPGEGHF-NHCUHLMSSA-N	402.560	3.830	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(C)(C)NC(=O)Nc2ccccc2)cc1F	742253154	VNQIATPKYLGVDE-UHFFFAOYSA-N	400.498	3.888	10	20	HHCD	
CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2ccc(N3CCCCC3)cc2)cs1	742589028	KPTYHEYAVWHNDL-UHFFFAOYSA-N	414.575	3.977	10	20	HHCD	
CCO[C@H](C)c1noc(CN2CCN(Cc3cc(C)cc(C(C)(C)C)c3O)CC2)n1	743376477	HFELVSQYDVUYML-QGZVFWFLSA-N	416.566	3.796	10	20	HHCD	
CSc1cccc(N2C[C@@H](C(=O)NCc3c(O)ccc4c3CCCC4)CC2=O)c1	743719580	IYQMNQISVPVOGJ-INIZCTEOSA-N	410.539	3.662	10	20	HHCD	
CC(C)[C@H](CNC(=O)N(Cc1ccccc1O)C1CCCCC1)N1CCN(C)CC1	745431070	BYYCKCVGYDSGHX-QFIPXVFZSA-N	416.610	3.509	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(c2ccc(F)cc2)CCC1	749420998	YZSTVESZBZEMPZ-UHFFFAOYSA-N	415.484	3.723	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1=NN(c2ccccc2)C(=O)CC1	751299711	OUTYLCHMMRZASG-UHFFFAOYSA-N	410.437	3.518	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C(=O)Nc2ccc(Cl)cc2)cc1	751405203	JKLPQBSSRLWDTI-FQEVSTJZSA-N	415.921	3.552	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1noc(Cc2ccccc2)n1	752864952	OZMPDJHFYOMNOW-KRWDZBQOSA-N	405.502	3.821	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@]4(CCc5ccccc54)C3)CC2)cc1	753605496	JFLMVBMEWGCVFM-RUZDIDTESA-N	421.541	3.548	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(F)ccc3Br)CC2)cc1F	753737544	FXWGIVDZBQWTNB-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccccc3C(F)(F)F)CC2)cc1F	753886675	RYZPRQOSTUHRLP-UHFFFAOYSA-N	411.399	3.885	10	20	HHCD	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cn2)n1	754542015	IELOIJXRWBMWBK-UHFFFAOYSA-N	422.444	3.912	10	20	HHCD	
C[C@@H]1C[C@H](NCCNC(=O)c2cccc(Br)c2)c2c(O)ccc(F)c21	756706962	SMUOVJJUGFKYFL-ABAIWWIYSA-N	407.283	3.862	10	20	HHCD	
C[C@H](N[C@H]1CCc2n[nH]cc2C1)c1cc(Br)cc(Br)c1O	756760303	NPTIPDOUFGDXEN-KWQFWETISA-N	415.129	3.848	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nc(-c2ccc(F)cc2)ns1	758105889	OYJKRKZUOXZXNQ-UHFFFAOYSA-N	413.478	3.503	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(C(=O)Nc2ccccc2)cc1	758655134	SYEAJADGTVJUTK-UHFFFAOYSA-N	415.493	3.706	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)cc(OC)c1OC	759223618	RJHBTXRFWOBMDQ-JOCHJYFZSA-N	412.530	3.801	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H](C)CC(=O)c3ccc(Cl)cc3)CC2)cc1	759357205	KWCAXVIMPLVSCW-MRXNPFEDSA-N	400.906	3.906	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)n1	760076523	GQOLGBVDZXBYJM-UHFFFAOYSA-N	424.423	3.576	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(I)c1	760463036	RPSSRXWXJSNULL-UHFFFAOYSA-N	422.310	3.948	10	20	HHCD	
COc1cc(O)c(CNC(C)(C)[C@H](O)c2ccc(Br)cc2)cc1OC	762786279	KVJNHUSGYAGGBV-GOSISDBHSA-N	410.308	3.774	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)c2C)c1	764468627	ZNSPHTAWMSQXLP-CJFMBICVSA-N	422.617	3.543	10	20	HHCD	
C[C@@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1	765602303	MSNMMBSXINUIRB-QZTJIDSGSA-N	421.557	3.960	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1	765659985	PWGLICCTFKGILR-ROUUACIJSA-N	401.576	3.997	10	20	HHCD	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc(N2CCSCC2)cc1	766872699	PJXXIDNMQZNARA-IIBYNOLFSA-N	417.550	3.690	10	20	HHCD	
Oc1ccc(Br)cc1CN1CCC(n2cc(Br)cn2)CC1	769400379	SRTWDUOKUQDYGL-UHFFFAOYSA-N	415.129	3.951	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	770756483	MGMFWVMJZQLBDZ-IERDGZPVSA-N	417.550	3.954	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCc4sccc43)CC2)cc1	771240764	QQYCBSSCEFRJFI-NRFANRHFSA-N	413.587	3.505	10	20	HHCD	
CC(C)(C)OCc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1	771416019	BWMKQJSRANHOFG-INIZCTEOSA-N	421.925	3.743	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C\c2ccc(SCc3ccccc3)cc2)SC1=S	771850550	LZRONDOZWYEZKC-MHWRWJLKSA-N	400.550	3.665	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2Br)c(C)c(C)c1O	775294115	HZOMBMZGVHDNPG-UHFFFAOYSA-N	414.277	3.579	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1	775487891	FRDVJPKJALCFBS-SQJMNOBHSA-N	407.602	3.896	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1	775488081	GRFHABNFLVGHSL-DENIHFKCSA-N	411.565	3.787	10	20	HHCD	
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775572532	BJVRFHDPORCWTE-MRXNPFEDSA-N	410.518	3.880	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cc(Br)cc(C)c2O)cc1	775989899	LUSLXYLJRNZSRI-AWEZNQCLSA-N	412.349	3.724	10	20	HHCD	
Cc1cc(Br)cc(CNC[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O	776254139	UNDJNHIPRGPVFC-MRXNPFEDSA-N	403.320	3.601	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1	776739392	OQOBEYULSHTJSM-YCRPNKLZSA-N	417.912	3.772	10	20	HHCD	
O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779522064	PXOIPKWNJAHXLV-RQOWECAXSA-N	405.372	3.650	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(OC(F)F)c1	783317637	YFBWWWVSMDMTRT-UHFFFAOYSA-N	405.445	3.730	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)cc1	785444770	UVXWUPDSWYINSO-HSZRJFAPSA-N	419.500	3.608	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(O)c1	792853763	VZEXPLWWJNGJAE-UHFFFAOYSA-N	420.391	3.605	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c(O)c1	792962181	FQKCXRAVHAOHAC-NSHDSACASA-N	402.838	3.665	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)CNC(=O)OC(C)(C)C	797194062	OWQRPOOOUFOXAE-LBPRGKRZSA-N	415.328	3.664	10	20	HHCD	
CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1	799636331	LXLVWQNXRHLYEA-UHFFFAOYSA-N	421.931	3.966	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1	800999158	VITIWHOJYKCNDX-HSZRJFAPSA-N	418.582	3.979	10	20	HHCD	
COCCO[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	801062363	WSCVTQHUCATGDT-MJGOQNOKSA-N	423.985	3.913	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1	802610277	YDHKBFQBDDNSDZ-UHFFFAOYSA-N	423.513	3.677	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)cnc2OCC2CC2)c1	802782482	VRUAJGWILZTFDP-LLVKDONJSA-N	421.291	3.838	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2F)C2CC2)cc1F	804852469	ILQHSOVTEXYJNW-UHFFFAOYSA-N	415.484	3.618	10	20	HHCD	
Cc1cc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)c(C)n1-c1ccccn1	807710144	YXDDZIGOOJXBMV-KRWDZBQOSA-N	404.518	3.955	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1	810053838	WKTTVLSMLFZFEN-UHFFFAOYSA-N	424.545	3.631	10	20	HHCD	
CC[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1O	810240860	HNZCUNBGOHJYLA-DZGCQCFKSA-N	400.363	3.715	10	20	HHCD	
CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]1C1CC1	812005831	NAUPDEBMZVVQRX-GOSISDBHSA-N	411.468	3.872	10	20	HHCD	
CC[C@H]1[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CCN1C(=O)OC(C)(C)C	813032910	WZWIYRBSVQZBCZ-IRXDYDNUSA-N	403.523	3.514	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2nn(C)cc2Br)c(C)n1-c1ccccc1	814601429	OSYKHHJLGKWFAP-UHFFFAOYSA-N	416.275	3.630	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn2ccnc12	815582584	KKEQDIXDCJZGEM-UHFFFAOYSA-N	406.486	3.648	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(c4ccccc4F)CCCC3)cc2)C1	917833115	LXZMNKZWBGLAEN-IBGZPJMESA-N	423.532	3.656	10	20	HHCD	
Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	918122953	OLMSMKMMFQUOST-FYYLOGMGSA-N	420.557	3.743	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Oc2cccnc2)cc1	920342592	ATYWONAIWKCMFF-UHFFFAOYSA-N	421.472	3.904	10	20	HHCD	
CCOc1ccc(N2CCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)cc1	1319841945	DIWVYBGUMVXEAE-UHFFFAOYSA-N	401.514	3.753	10	20	HHCD	
Cc1nc(N(C)C)sc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1319893270	HALLGXCDCPDADK-UHFFFAOYSA-N	410.490	3.518	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(CCN3CCCC3)CC2)c1	1319987674	MEBQRVDJXGNIKM-UHFFFAOYSA-N	414.981	3.601	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1ccncc1	803677371	NOVAAAUVEZOOFH-QFIPXVFZSA-N	408.546	3.734	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCC(C)(C)Cc1cccc(Cl)c1)c1ccc(N(C)C)cc1	807673506	UYRSNTBTAAGDHO-INIZCTEOSA-N	415.965	3.968	10	20	HHCD	
COCCC1(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CCCCC1	807908012	DAPDUPDQCWIXEL-UHFFFAOYSA-N	417.594	3.593	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)c2C)cc1	804391737	RNLIPCWVPVXJBS-DNVCBOLYSA-N	410.436	3.736	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cn(-c2ccccc2)nc1C	802609841	MLXXBPUTHFVBHI-UHFFFAOYSA-N	406.486	3.654	10	20	HHCD	
Cc1ccccc1-n1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)nn1	806569922	KQKFCCLTFPUVBX-LICLKQGHSA-N	422.491	3.680	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1	801551829	UHMQGGZNSFMXIZ-UHFFFAOYSA-N	410.923	3.860	10	20	HHCD	
CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807512481	WRAPUQADQKGEAU-UHFFFAOYSA-N	415.248	3.880	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](N3CCCC3)[C@H]2C)c(C)n1-c1ccc2c(c1)OCCO2	805769062	RJDXOGPRPYUSDP-DENIHFKCSA-N	423.557	3.607	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccnn2-c2ccc(Cl)cc2)n(C)c2ccccc12	472810436	WNQLVBRYBIAINM-UHFFFAOYSA-N	421.888	3.581	10	20	HHCD	
Cc1cc(C(=O)Nc2c3c(nn2C(C)C)CCC3)ccc1NC(=O)C1=S=CC=C1	471669140	VJMFUWVHMCRSQM-UHFFFAOYSA-N	408.527	3.730	10	20	HHCD	
Brc1cccc2c1C[C@H](NCc1ccc(N3CCOCC3)cc1)CC2	815118912	VCTHFKMQDGAJCO-GOSISDBHSA-N	401.348	3.933	10	20	HHCD	
CCOC(=O)c1ccc(N2CC(N[C@@H](C)c3cccc(C(F)(F)F)c3O)C2)nc1	815615194	KZGZZJRJQBKZFL-LBPRGKRZSA-N	409.408	3.522	10	20	HHCD	
O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cnn(-c2ccccc2)c1	727247005	SZKPUMLQDFRXJJ-UHFFFAOYSA-N	410.480	3.689	10	20	HHCD	
CCOC(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1	728839579	IXFHGAKXMYDTIS-UHFFFAOYSA-N	415.456	3.512	10	20	HHCD	
CCN(CC)C(=O)[C@H](Cc1ccccc1)NCc1cc(Br)ccc1O	725841454	ITFOHWUIQXTZQY-SFHVURJKSA-N	405.336	3.724	10	20	HHCD	
C[C@H](COc1ccc(F)cc1F)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	726239657	NOXQGCRXGIBWMK-HZPDHXFCSA-N	419.472	3.629	10	20	HHCD	
C[C@H](c1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1)N1CCOCC1	729576973	YJIBZHODXVXBBP-GOSISDBHSA-N	408.546	3.784	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3OCCO4)n2)cc1	727248580	IPLSGNBDSQXATK-UHFFFAOYSA-N	418.496	3.781	10	20	HHCD	
COC(=O)N(C)c1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726696773	CXTSZGOYGPTOSY-UHFFFAOYSA-N	412.490	3.688	10	20	HHCD	
CCOc1cccc(CNCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1O	725846161	ZDOMHIRUQKFNIF-QGZVFWFLSA-N	418.559	3.501	10	20	HHCD	
O=C(Cc1csc(-c2cccnc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517216	INEJKLDVMANWRJ-IBGZPJMESA-N	409.511	3.661	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)n2)s1	734975434	FJOOCNFFNDLGFY-UHFFFAOYSA-N	419.553	3.521	10	20	HHCD	
CSCC[C@@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	736060102	SCOIRZBEJYRVDG-SLQMCABGSA-N	414.643	3.987	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(C)n1-c1ccccn1	914848201	YUOJBVXHWLNDHZ-UHFFFAOYSA-N	421.476	3.618	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)Cn2cccn2)c(C)n1-c1cccc(Br)c1	918110158	CIINDFSKTZBEIR-ZDUSSCGKSA-N	401.308	3.872	10	20	HHCD	
O=C(CCC1CCCCC1)N1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	740920044	POAWZRAYRGCSEW-UHFFFAOYSA-N	424.589	3.777	10	20	HHCD	
CCOC[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745906079	VSZZYFSJWLUJNI-IAGOWNOFSA-N	411.493	3.715	10	20	HHCD	
COc1cc2ccccc2cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970616	PFOLOGIGHMCVNK-UHFFFAOYSA-N	408.473	3.879	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c(F)c1	740609875	NYJKFKDSPNDIIU-UHFFFAOYSA-N	405.495	3.821	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(OCC(N)=O)c2)c(C)n1-c1ccc(Cl)cc1	742770796	QGRZVVOBKAVRCZ-UHFFFAOYSA-N	411.889	3.542	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1	915848476	VBLJQPTXRVENDE-UHFFFAOYSA-N	402.560	3.986	10	20	HHCD	
CN(C)c1ccc(CN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C2CC2)cc1	917073782	AJENCXMXGDOSAU-UHFFFAOYSA-N	420.557	3.873	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CCCc3ccccc34)cc2F)CC1	743338921	GRGFEBODMYWRJA-BKMJKUGQSA-N	421.560	3.878	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1	916197336	QNDPRVSNNLLAKJ-XMMPIXPASA-N	422.573	3.658	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)C(F)(F)F)c(C)n1-c1ccc(Br)cc1	749188141	DTHNWNYZXMZTHZ-CQSZACIVSA-N	405.214	3.510	10	20	HHCD	
O=C(Nc1cc(C(F)(F)F)cnc1O)N(Cc1ccccc1O)C[C@@H]1CCCO1	920061582	ZZQBMKVUTOFDCB-AWEZNQCLSA-N	411.380	3.725	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc(C(F)(F)F)c1	753822955	MYTGGKQMKNCKGM-UHFFFAOYSA-N	405.420	3.651	10	20	HHCD	
CN(c1ccc(CNC(=O)NCCCNC(=O)C2CCC2)cc1)C1CCCCC1	752006076	BTEZKSKGWMCQCP-UHFFFAOYSA-N	400.567	3.561	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cc(F)cc(F)c1	751465576	IPFWGAMOWIAVMM-UHFFFAOYSA-N	406.248	3.644	10	20	HHCD	
COc1c(F)ccc(F)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	755199136	BBLSVNZOCYJSFX-STQMWFEESA-N	408.420	3.656	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)NCCCSc2nccs2)CCN1Cc1ccccc1	759585204	QJVDJUHWLLMRKF-FUHWJXTLSA-N	404.605	3.978	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(F)c1	751426555	IEGCLJANLJMBON-UHFFFAOYSA-N	422.504	3.731	10	20	HHCD	
CC[C@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1ccccc1OC	753911385	HZZIETNZXIZOOJ-IBGZPJMESA-N	401.482	3.826	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	752711856	FTMFIFGWEKLQHN-UHFFFAOYSA-N	420.487	3.779	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN(C)C[C@@H]3CCN(C(C)=O)C3)c2C)c1	755041636	KATMKRBMWLOZKJ-IBGZPJMESA-N	413.587	3.799	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(N4CCCCC4=O)CC3)c2C)cc1	763817406	QNGITKQXKFEHHD-UHFFFAOYSA-N	409.530	3.720	10	20	HHCD	
C[C@H]1CC(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C[C@@H](C)O1	768054056	FIFGJHAEECAHQO-ZCZJLVBCSA-N	424.613	3.802	10	20	HHCD	
CC(C)[C@@H](C)N(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CC1	769731210	IFXVPCXCTZTRRR-CYBMUJFWSA-N	408.545	3.904	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1	760470723	BMSCOWAFFLYDKV-XMMPIXPASA-N	419.525	3.864	10	20	HHCD	
CC(=O)OCCc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	764694921	SRACRWNPFUJSBZ-KRWDZBQOSA-N	411.502	3.512	10	20	HHCD	
CC[C@H](NCc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccc(N(C)C)cc1	765330594	XJTAKNUYKNROEU-QFIPXVFZSA-N	403.592	3.821	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1	769540245	HUWYUJKZFVLJBD-UHFFFAOYSA-N	407.401	3.982	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(I)ccc2F)c1	762537272	PDDPUSVUHXTNFF-VIFPVBQESA-N	415.202	3.636	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(N3CCN(C(C)C)CC3)CC2)c(C)n1-c1ccccc1	761120204	AYQGSJJCVBKCFS-UHFFFAOYSA-N	422.617	3.767	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sc1C	773284767	JLWPZLREILOSJT-KBPBESRZSA-N	412.552	3.596	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1[C@@H](C)C1CC1	777418965	JIASZYBZLHOFJS-HNAYVOBHSA-N	416.953	3.916	10	20	HHCD	
O=C(Cc1csc(-c2cccc(Br)c2)n1)NCc1ccc(O)c(O)c1	778922869	IBZKWJXFTVQBJT-UHFFFAOYSA-N	419.300	3.843	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1	775127932	BSQMAUSHVCHXRT-KBXCAEBGSA-N	421.538	3.845	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@H](c3ccccc3)c3ccccn3)CC2)cc1	779037301	YMESCXSZOCBMDS-RUZDIDTESA-N	402.542	3.591	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776238208	LVDPURYYCDEANV-QFBILLFUSA-N	404.555	3.855	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccccc1Br	777826614	ONRNBPJSJUTQFD-UHFFFAOYSA-N	412.667	3.624	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCC(F)(F)C1	776718442	HAXJLZULOVDDKS-XFXZXTDPSA-N	402.513	3.597	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)nn1-c1ccc(Cl)c(Cl)c1	777417725	YVBWRFGTCNXKCF-UHFFFAOYSA-N	406.269	3.871	10	20	HHCD	
CCC(CC)n1nccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771056630	FQLRMCHDOAGUFP-KRWDZBQOSA-N	404.942	3.998	10	20	HHCD	
Cc1nn(C)cc1[C@@H](C)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	777302420	PIGWNAUGIKEGHH-QRWLVFNGSA-N	401.555	3.711	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(C)n(-c4ccc(C)cc4)n3)CC2)cc1	776837665	WHCSZKKXKCNTLI-UHFFFAOYSA-N	404.514	3.850	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1Br	777143438	KNYOSVQNMVJMAQ-CQSZACIVSA-N	418.335	3.948	10	20	HHCD	
C[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)c1ccc(N(C)C)cc1	773024780	OHOKCMSEGMZRME-GFCCVEGCSA-N	405.292	3.777	10	20	HHCD	
CC[C@@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cc(Br)ccc1O	775546450	IMRUAKQADPVJAS-AZUAARDMSA-N	419.363	3.962	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1OC(F)F	787867853	GBCPCKWOBDYNOQ-GOSISDBHSA-N	419.472	3.580	10	20	HHCD	
CC[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccccc1	785390058	RFUPIXIBYPWEDZ-NRFANRHFSA-N	407.558	3.849	10	20	HHCD	
C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1c(Cl)cccc1Cl	785439714	UZDJYPUONBGMDH-ZDUSSCGKSA-N	408.329	3.596	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)CC(C)(C)O2	783318540	XXNYKGOXWHNXQT-UHFFFAOYSA-N	409.530	3.842	10	20	HHCD	
Cc1ccnc(OC2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1	782505452	GQXUJYZAHIELMD-LJQANCHMSA-N	424.545	3.541	10	20	HHCD	
COc1ccc(CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c(O)c1	794384259	YGSNGQQXZNLEMD-UHFFFAOYSA-N	424.457	3.779	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)c(C)n1-c1ccccn1	792615445	CRWYVKNXKWKXOA-UHFFFAOYSA-N	402.454	3.785	10	20	HHCD	
Cc1onc(-c2cccnc2)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	795360940	RGYVPCLLNBWLTO-GASCZTMLSA-N	424.476	3.728	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)c(C)n1-c1ccccn1	790435433	BJEZCKDLWCTTNN-UHFFFAOYSA-N	417.469	3.576	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1OC	790356398	KASJPERUVLWUDL-UHFFFAOYSA-N	424.950	3.826	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@H]2CCCC[C@H]2C1	1253364047	VFRGTMOIKCBHGY-CABCVRRESA-N	420.556	3.907	10	20	HHCD	
COc1cccc(CNC(=O)COc2ccc(Cl)cc2Br)c1O	1251673976	JAOVRVMKWTXZMN-UHFFFAOYSA-N	400.656	3.512	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3ccco3)c2C)cc1	6038423	FTFMLUZLXCHDRN-ZHACJKMWSA-N	407.422	3.913	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@@H]2CCOc3ccccc32)cc1	27574022	RUXKQNFOGAHVJH-OAQYLSRUSA-N	404.466	3.891	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(NCc3ccc(OC)c(C)c3)CC2)cc1	63918343	VRBIKOZKDNEVOH-UHFFFAOYSA-N	402.560	3.556	10	20	HHCD	
CCc1noc2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc12	303088270	CFESCEAEDWVDTP-IBGZPJMESA-N	408.502	3.673	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(c3cccc(OC)c3)CC2)cc1F	303370713	SKBVMEWTUNPSIF-UHFFFAOYSA-N	414.525	3.712	10	20	HHCD	
Cc1ccc(F)cc1-c1nnc(NC(=O)N2CCOc3cc(N(C)C)ccc32)s1	569290011	GCPNNKQEKDZDSI-UHFFFAOYSA-N	413.478	4.150	10	20	HHCD	
Oc1ccc(-c2ccccc2)cc1CNCCCN1CCN(c2ccncc2)CC1	725850338	ZQDBMQVKSYUYLI-UHFFFAOYSA-N	402.542	3.756	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cc(Cl)c(OC)c(OC)c3)SC2=S)cn1	726197490	KVGXKGPGNMDPKA-AUWJEWJLSA-N	409.920	3.979	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	729066338	KKPDBSNPNIJXNK-SECBINFHSA-N	416.783	3.889	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1nn(-c2ccccc2)cc1OCCOC	729531555	SQRPOZWHOYIXSS-UHFFFAOYSA-N	409.486	3.656	10	20	HHCD	
COc1ccccc1N1C[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1=O	731016904	TXCQERLOZQTRFV-FQEVSTJZSA-N	421.541	3.601	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3N3CCN(C)CC3)cc2)CC1	731042492	WQJNZYQHILPDRM-UHFFFAOYSA-N	421.589	3.996	10	20	HHCD	
C[C@@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(=O)c1ccccc1	732758453	MYBCJKFVUOVXNG-RCCFBDPRSA-N	412.505	3.965	10	20	HHCD	
Cc1cc(C)c(C)c(OCCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	733548819	JADHKGDYRLMTHP-UHFFFAOYSA-N	412.530	3.649	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnn(-c3ccc(F)cc3)n2)cc1	737543491	FAEPZHUZYTWDJP-UHFFFAOYSA-N	421.398	3.677	10	20	HHCD	
CCOC(=O)Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	738959873	JPKJDJXWPGKFRE-HXUWFJFHSA-N	412.486	3.711	10	20	HHCD	
COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1cccc(OC)c1O	741283951	YPCRHSYXWOIOHK-HNNXBMFYSA-N	422.319	3.675	10	20	HHCD	
CCOc1ncccc1CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743530310	IOGMKROBYVWJDQ-INIZCTEOSA-N	420.460	3.550	10	20	HHCD	
Cc1cc(C)c(N2C[C@@H](C(=O)NCc3c(O)ccc4c3CCCC4)CC2=O)c(C)c1	743719295	XKZCCNBOSKYRNB-IBGZPJMESA-N	406.526	3.866	10	20	HHCD	
CCSCC[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	744379893	DHPVDPORIPHJSW-LBPRGKRZSA-N	412.467	3.632	10	20	HHCD	
CCN1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@H]1C	748964070	OHVZQNIJFSPIBI-LMMKCTJWSA-N	424.536	3.771	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](CNC(C)=O)c3ccccc3)ccc21	749213071	KRZJZVDIUDREMQ-QHCPKHFHSA-N	408.498	3.939	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1	751317813	HMWTYVZSVYAPEQ-VIFPVBQESA-N	407.822	3.695	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](O)c1c(F)cccc1F	752909387	KCTUNMSZHPIANQ-WIYYLYMNSA-N	403.473	3.659	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC([C@H]2CCOC2)CC1	753155559	VHPWWIHZZBBEKB-KRWDZBQOSA-N	423.504	3.715	10	20	HHCD	
CCOc1ccc(-c2nc(NS(=O)(=O)c3cc(C(=O)OC)co3)sc2C)cc1	753918043	CVLYDNMLDSFHBF-UHFFFAOYSA-N	422.484	3.698	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@H](c3ccccc3)n3cccn3)ccc21	754550783	IITLBLMBZGNWPF-JOCHJYFZSA-N	407.429	3.887	10	20	HHCD	
C[C@@H](NCCCCN1CCC[C@@H]1CO)c1cc(Br)cc(Cl)c1O	756563853	OQYJMTZGCOZHRG-TZMCWYRMSA-N	405.764	3.696	10	20	HHCD	
C[C@H](NCCCO[C@H]1CCOC1)c1cc(Br)cc(Br)c1O	756649480	HKPBVMHMXIKFAV-JQWIXIFHSA-N	423.145	3.763	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	756710040	SZABUQIKDULMDK-BDJLRTHQSA-N	409.364	3.775	10	20	HHCD	
Cc1cc(C(=O)N(C)C[C@@H](O)C(F)(F)F)c(C)n1-c1ccccc1Br	758482781	VIDHPTBHCUANRQ-OAHLLOKOSA-N	419.241	3.852	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(F)cc4cccnc34)CC2)cc(OC)c1OC	759873188	RZAFGKRUJITSFQ-UHFFFAOYSA-N	411.477	3.722	10	20	HHCD	
Cc1ccccc1C(=O)NC1CCN(C(=O)CN(C)c2ccc(OC(C)C)cc2)CC1	759913383	YDKAMDKKMJAGOW-UHFFFAOYSA-N	423.557	3.639	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(Oc2cccc(Br)c2)CC1	760119522	ZXHWUHKZEKRZJW-FNORWQNLSA-N	418.287	3.944	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(C(F)(F)F)ccc1F	760383123	YPHXVFFBDKLXFY-UHFFFAOYSA-N	400.347	3.750	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2sc(C)nc2CC(C)C)cc1	761043283	RQYIEJGDUQJZGN-UHFFFAOYSA-N	402.564	3.751	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)C[C@@H](C)C2)c(C)n1-c1ccc(Br)cc1	762549297	UIUMDXOKZDZPCP-CANCMXDXSA-N	423.376	3.697	10	20	HHCD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)c1C1CC1	763119669	TVTUQPPXZJMIRJ-MRXNPFEDSA-N	411.550	3.833	10	20	HHCD	
COc1ccc([C@H](OC)[C@H](C)NC(=O)NCc2cccc(Br)c2O)cc1	764805133	IRKMYANEPYFCIX-KPZWWZAWSA-N	423.307	3.739	10	20	HHCD	
C[C@@H](NCCC(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1Cl	765517691	BLEVZLIMCCZXMY-QGZVFWFLSA-N	401.938	3.534	10	20	HHCD	
COc1ccc(CCN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(OC)c1OC	765688951	ZEYYXRPVXLUAGN-MRXNPFEDSA-N	418.509	3.581	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc4c(c3)CCC(=O)N4)cc2F)CC1	765853097	QUBJSRKNUYMNBY-KRWDZBQOSA-N	410.537	3.703	10	20	HHCD	
CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	766894577	WVSBTVLVGXBQFX-IOMROCGXSA-N	403.567	3.819	10	20	HHCD	
Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)N(C)Cc1ccccc1O	768035937	ZVNKEDGKRVRZSB-UHFFFAOYSA-N	420.513	3.781	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cnc(-c2ccccc2)s1	768964072	QBESYHMMBQMRBY-UHFFFAOYSA-N	407.495	3.649	10	20	HHCD	
CC(C)(C)OCc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)no1	769936817	XWUJBTWNYFKGPD-UHFFFAOYSA-N	423.460	3.990	10	20	HHCD	
CCC(CC)n1nccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	770266567	VTBRYADBPFVBNN-HOTGVXAUSA-N	402.514	3.927	10	20	HHCD	
Cn1cc(-c2cccc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c2)cn1	771055789	FEVZKUDWGYJKSS-NRFANRHFSA-N	424.932	3.841	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C)c2Cl)cc1C	775672611	LOOFARVMBVURPA-UHFFFAOYSA-N	402.925	3.519	10	20	HHCD	
CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2ccncc2)no1	776132769	TWLTXVHFMASPII-KXBFYZLASA-N	408.506	3.955	10	20	HHCD	
Cc1ccc(C2=NN(C(=O)COC(=O)c3cccc(O)c3O)[C@H](c3ccco3)C2)cc1	776284401	YBARWLDXISLMLI-SFHVURJKSA-N	420.421	3.534	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(c2ccc(F)cc2F)CCC1	776832061	AXWFBDYVRMKEAU-UHFFFAOYSA-N	404.432	3.679	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cc3ccccc3o2)cs1)c1cnn(CC(F)F)c1	777668210	UEBAEILHGQLWMF-UHFFFAOYSA-N	410.427	3.819	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC(C)(C)OC3(C)C)cc2F)C[C@@H](C)O1	778620391	LFIRIYLSNFPNSX-ZRGWGRIASA-N	407.530	3.585	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(OC(C)(C)C)nc1)c1ccc(N2CCOCC2)cc1	778629284	FQUZSSBKZJQMOQ-KRWDZBQOSA-N	412.534	3.656	10	20	HHCD	
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1	779526330	XYXRXZBOMWIIHF-AXDNMFEOSA-N	416.477	3.502	10	20	HHCD	
COC(=O)[C@@H](C)CN(Cc1cc(Br)cc(Br)c1O)C1CC1	780892130	ADQGFNBXNAQQRQ-VIFPVBQESA-N	421.129	3.691	10	20	HHCD	
CC(C)OCCCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	782999797	MXDQNDACHCYFBJ-UHFFFAOYSA-N	417.472	3.546	10	20	HHCD	
COc1cc(Cl)cc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1O	786578765	IQGVCDAXIDUSRV-UHFFFAOYSA-N	422.860	3.637	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(O)c1	794373906	OKXCLWVDHWHTOS-HUUCEWRRSA-N	413.474	3.721	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCNC(=O)C(C)(C)C)cc2Cl)C1	799918939	GANKJYZECYZHPG-HNNXBMFYSA-N	408.974	3.538	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCCC12CCOCC2	800021198	IIKOBWQPUGSRTR-VQIMIIECSA-N	423.504	3.905	10	20	HHCD	
CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCc1ccc(N(C)C)c(F)c1	800869562	VYABMJSRCUELIE-QGZVFWFLSA-N	411.930	3.677	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Br)c1	802609965	NNKHTLRIGFQACZ-UHFFFAOYSA-N	405.292	3.922	10	20	HHCD	
CC[C@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805023240	RDDKMGWBCHZOFV-JOCHJYFZSA-N	408.546	3.544	10	20	HHCD	
CC[C@@H](N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1cccc(Cl)c1O	806170134	OPVUZZVKGSMXKO-RTBURBONSA-N	418.921	3.905	10	20	HHCD	
CCOC(=O)C(C)(C)c1csc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	806821802	YZWYXMVLJDKJAU-ZDUSSCGKSA-N	404.536	3.933	10	20	HHCD	
CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807675641	ZGUKGQGEBFGNSR-ROUUACIJSA-N	411.546	3.732	10	20	HHCD	
COc1ccc(-c2ocnc2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	808305015	ATOGOVSQRKVHJV-INIZCTEOSA-N	407.470	3.678	10	20	HHCD	
COC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1	810211887	XLCDOIDPDVYVCO-RXVVDRJESA-N	401.938	3.519	10	20	HHCD	
C[C@H](c1ccc(F)cc1)N1CCC[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)C1=O	815156151	VZYJYHOACOJKKT-PXAZEXFGSA-N	421.856	3.935	10	20	HHCD	
O=S(=O)(Cc1ccccc1)NCCN[C@@H](CCc1ccccc1)c1ccccc1O	815563486	DOJXRTDQKPNANI-QHCPKHFHSA-N	424.566	3.775	10	20	HHCD	
O=C(NC[C@@H](c1ccccc1)N1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	915878137	KCLXQMLUXLPNQC-PKTZIBPZSA-N	423.557	3.920	10	20	HHCD	
COc1ccc(CN2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1	916587776	CEPFJFIUMDLIPR-UHFFFAOYSA-N	422.573	3.713	10	20	HHCD	
CC(C)C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	918118272	XSRSFEUFZXHYFJ-GGAORHGYSA-N	422.573	3.975	10	20	HHCD	
Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	918122954	OLMSMKMMFQUOST-GGAORHGYSA-N	420.557	3.743	10	20	HHCD	
Cc1ccccc1OCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	918128724	WQLYBATYSSKZMR-QZTJIDSGSA-N	415.509	3.626	10	20	HHCD	
C[C@@H](NC(=O)CCCOc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1	921283585	DTPVJYDIJHLNBP-MRXNPFEDSA-N	404.457	3.838	10	20	HHCD	
CCc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1C	7181312	LQLCBDXOAWNZLJ-UHFFFAOYSA-N	419.525	3.987	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C	28494989	DQRRNURIGCKRTJ-UHFFFAOYSA-N	409.559	3.701	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(F)cc3)C(C)(C)C)nc12	108856165	SDXTVIVNEHDEFL-GOSISDBHSA-N	400.454	3.628	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(O)c1O	116718436	HQEWWDRVKRHHNZ-UHFFFAOYSA-N	403.740	3.874	10	20	HHCD	
CCOCc1cc(CN[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)ccc1OC	725852315	XERGDYKGTYWAIS-GOSISDBHSA-N	411.546	3.949	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	727985538	CXOPFRMBKFFEAX-KYGRHTAQSA-N	401.576	3.501	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3cnn(C)c3)n2)cc1	728837370	RBSDKRHFQSDMRE-UHFFFAOYSA-N	423.464	3.814	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1F	731402962	AGKINCRWIXYJCA-UHFFFAOYSA-N	414.525	3.508	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1	734066540	WIJCHWBVNNECFN-INIZCTEOSA-N	407.470	3.935	10	20	HHCD	
COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1	734809300	VUSPAFVPWPNJJD-HXUWFJFHSA-N	413.518	3.643	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1	740812779	AUUYLZGBKKVRSH-UHFFFAOYSA-N	420.915	3.822	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1	741677966	GFRYRYYJFIMDOY-FQEVSTJZSA-N	424.589	3.828	10	20	HHCD	
CC(C)c1nc(C(=O)NCCCSc2nccs2)nn1-c1ccccc1F	742074141	GECBHRDEJYFIQR-UHFFFAOYSA-N	405.524	3.899	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2nc(O)oc2c1	742804855	BXPODHGIBUBFFT-CYBMUJFWSA-N	403.385	3.534	10	20	HHCD	
Cc1nc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccn12	742805582	MHMHCXIIVAGXBT-HNNXBMFYSA-N	400.429	3.643	10	20	HHCD	
CC(C)(CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCCC1	743518571	XQQDNZLXKJTEDC-QGZVFWFLSA-N	424.536	3.821	10	20	HHCD	
CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc(N4CCCC4)cc3)ccc2NC1=O	745929101	BBFWVYDIAPJCKO-IIBYNOLFSA-N	422.529	3.957	10	20	HHCD	
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c1	746724961	VKXWKVJJRVXLCR-HNNXBMFYSA-N	400.498	3.876	10	20	HHCD	
CC(=O)N1CCCc2cc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccc21	749338082	PEBMQLJOWJPMKM-QGZVFWFLSA-N	422.529	3.705	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1O	749445155	QBFILONMBGYMGR-CYBMUJFWSA-N	404.869	3.969	10	20	HHCD	
C[C@H](NC(=O)NC1CCC(N2CCCCC2)CC1)c1ccc(N2CCOCC2)cc1	751088208	SGOYDOTXJASLHQ-YGWXTMFKSA-N	414.594	3.681	10	20	HHCD	
Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1[N+](=O)[O-]	751305135	BTQKFIYTFISMDY-UHFFFAOYSA-N	418.369	3.773	10	20	HHCD	
CCS[C@@H](C)c1noc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1	751936504	ITRXXFPBQVDTHW-NSHDSACASA-N	404.517	3.870	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)cc1F	752708975	KVOYUZACEGXDLE-UHFFFAOYSA-N	416.497	3.704	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1	753189560	KILSDKHRHWARGL-VLCRHTCISA-N	409.530	3.501	10	20	HHCD	
COC(=O)c1c(Br)ccc(NC(=O)NCc2cc(OC)ccc2O)c1C	753232244	WSCKRHWXYLASJE-UHFFFAOYSA-N	423.263	3.580	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)c3nc(N)c4c(C)c(C)sc4n3)CC2)cc1F	753858068	RYNRBEZYBJFYLG-ZDUSSCGKSA-N	415.538	3.921	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)COc3cc(C)ccc3Cl)CC2)cc1	754015525	SKUAGZXPEAQTPW-IBGZPJMESA-N	404.938	3.609	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1	754923505	SYPJHIMPIYDHLL-UHFFFAOYSA-N	404.470	3.537	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3ccncn3)c2C)c1	755642719	GZGVDONNNYHHDA-UHFFFAOYSA-N	409.511	3.965	10	20	HHCD	
C[C@H]1C[C@H](NCc2ccccc2S(=O)(=O)NC(C)(C)C)c2c(O)ccc(F)c21	756467430	VLJXBIACXHZKPM-BBRMVZONSA-N	406.523	3.946	10	20	HHCD	
COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cc(Br)c(F)cc2O)C1=O	756741087	BPZURTDOPUHMAH-XHDPSFHLSA-N	423.282	3.759	10	20	HHCD	
CC(=O)N1CC[C@@H](COC(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1	758551308	KEZBPECKDCPOPP-MRXNPFEDSA-N	419.319	3.882	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc(OC)c1OC	759961952	FNKWGFFZGBSEJX-UHFFFAOYSA-N	410.474	3.548	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1Br	761982382	KZEVFLNSGKUGNL-AWEZNQCLSA-N	424.726	3.598	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)c1	764998479	BUJCOPVNWJSTFI-ACJLOTCBSA-N	419.319	3.928	10	20	HHCD	
O=C(COc1cccc(Br)c1)NCc1cccc(Br)c1O	765727819	PCENLFNSIQNAGK-UHFFFAOYSA-N	415.081	3.612	10	20	HHCD	
CC(C)COc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	765976825	BAVPLKQEKBRXIA-IBGZPJMESA-N	416.587	3.807	10	20	HHCD	
CON(C)C(=O)[C@H](CCSC)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	766262012	AERGVTCKWFZZIY-FQEVSTJZSA-N	417.575	3.582	10	20	HHCD	
CC(C)Cc1nnc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)s1	766885385	OADWNSMMMWKBKM-UHFFFAOYSA-N	400.504	3.676	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnc(Cl)c(Br)c1	767904595	CMQWYPQGDWCBJJ-UHFFFAOYSA-N	411.687	3.994	10	20	HHCD	
CCN(CC)c1ccc(CN(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1	768192642	ADHKWYFBVMBPGK-QFIPXVFZSA-N	416.587	3.731	10	20	HHCD	
Oc1cccc(Cl)c1CN1CCN(CCCc2nc(-c3cccs3)no2)CC1	768215656	WDRVYXLRJOSTSD-UHFFFAOYSA-N	418.950	3.908	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NC3CCN([C@@H]4CCCC[C@@H]4O)CC3)c2C)c1	769316902	PHVASWLGAFRDTG-RPWUZVMVSA-N	409.574	3.900	10	20	HHCD	
C[C@@H]1C[C@H](CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1	770846894	CLPIFCYFZNRSKD-FWEMMINBSA-N	424.613	3.661	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C	772441286	OQSOWLSDJUGRAX-QGZVFWFLSA-N	408.564	3.873	10	20	HHCD	
COc1ccc(/C=C\C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1O	773406426	DHFAFSPQRFOELW-JIGZGPPQSA-N	416.905	3.554	10	20	HHCD	
C[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccc(N(C)C)cc1	773988605	VZCZHTSECCKKSP-MRXNPFEDSA-N	404.514	3.680	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cc(C(=O)NCC(F)(F)F)ccc2C)c1O	774928044	HJBJEJDEWVADEF-UHFFFAOYSA-N	413.352	3.522	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2nc(Cc3cccc(Br)c3)no2)c1	775370555	HTWIPOLIRSLFKQ-GFCCVEGCSA-N	418.291	3.988	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)nn3[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1	775390424	MVKJCDSEYVMHRH-BBTUJRGHSA-N	409.534	3.915	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1O	775563424	YJBUUPQERSJSHT-ABAIWWIYSA-N	409.364	3.775	10	20	HHCD	
COc1ccc(Cn2ccc(NC(=O)NCc3ccc4c(c3)CCCN4C)n2)cc1	779509545	UQIXNGMXRFCCEY-UHFFFAOYSA-N	405.502	3.644	10	20	HHCD	
COC(=O)[C@H](Cc1ccc(F)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	783570909	JVPWISYFHBEJSP-PXNSSMCTSA-N	422.447	3.770	10	20	HHCD	
OCCCC1CCN(Cc2cc(Br)cc(Br)c2O)CC1	783599507	QHXYZTVIBCVMHF-UHFFFAOYSA-N	407.146	3.902	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(Br)cc1C	784028054	SKQMDYMCENRSMJ-UHFFFAOYSA-N	423.282	3.980	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1Sc1ccccc1	785295060	QFACWXCPLMWHOW-HNNXBMFYSA-N	422.506	3.935	10	20	HHCD	
COc1cc(Br)cc(CNc2cc(N3CCNC3=O)ccc2C)c1O	785548109	RGQOBHVKHRQEJG-UHFFFAOYSA-N	406.280	3.613	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(C(F)(F)F)n2)cc1	786288478	KKQUNCWAPYYNFF-UHFFFAOYSA-N	408.424	3.544	10	20	HHCD	
COc1ccc(=O)n(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)n1	787482968	ZGILISZKWNMFKL-UHFFFAOYSA-N	405.376	3.561	10	20	HHCD	
NC(=O)[C@H]1CCC[C@H](C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	787819468	FACYAYSRPPGYKI-HOTGVXAUSA-N	408.458	3.875	10	20	HHCD	
CCOC(=O)[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(N2CCOCC2)cc1	792198816	NUBZBEWBJJKHRB-NRFANRHFSA-N	402.922	3.913	10	20	HHCD	
CN(C)C(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	799773452	CCKGLNWIFUMUAL-UHFFFAOYSA-N	416.543	3.618	10	20	HHCD	
C[C@](O)(CCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	801161891	IAOUJXOFUIHHIG-JPYJTQIMSA-N	418.484	3.757	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCCOc4ccccc43)cc2)CC1	804063764	APMIATHVAKVOJV-JOCHJYFZSA-N	421.541	3.569	10	20	HHCD	
Cc1ccc(C)c(CN(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	805025396	OJAXHCORBMBIGV-UHFFFAOYSA-N	407.558	3.815	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1	807754241	ZMKPQHJNIOICGF-SFHVURJKSA-N	420.513	3.584	10	20	HHCD	
COCCOCc1ccc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)cc1	809144211	HGNHNWVLMJRIAL-GZTJUZNOSA-N	416.524	3.659	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC1(C(F)F)CCCC1)c2[N+](=O)[O-]	809370295	SRRKGNDIMAPXKA-UHFFFAOYSA-N	414.364	3.678	10	20	HHCD	
C[C@@H]1CN(C(=O)CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)CCO1	814772872	HFGGMUVMQPBQPL-VJMCZWTHSA-N	418.565	3.852	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2cc(Br)sc2[nH]1	816899760	ZZCZXIQAYHSLEJ-UHFFFAOYSA-N	420.332	3.759	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCOc3ccc(F)cc3Cl)CC2)cc1F	857464700	LBOOPQFWMDAIDE-UHFFFAOYSA-N	410.848	3.745	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)n2)s1	861843365	ASADTANSRSUBQL-UHFFFAOYSA-N	421.525	3.566	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c(C)n1-c1ccccn1	915200806	ULDGQDBXKHDCOU-UHFFFAOYSA-N	402.498	3.542	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1	916138585	OQJFOMDRDWFSTD-UHFFFAOYSA-N	410.905	3.635	10	20	HHCD	
COc1ccc(C(=O)N2CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)CC2)cc1	917427632	ZSEDSPANCNGWCQ-UHFFFAOYSA-N	420.509	3.984	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(COCc2ccco2)c1	918306221	WUQMWUXOEXVVPA-UHFFFAOYSA-N	421.497	3.660	10	20	HHCD	
Cc1cccc(C)c1OC[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	920411989	PCISVJPMWAENSC-FQEVSTJZSA-N	413.518	3.731	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3Cc4ccc(C)cc4S3)cc2F)CC1	1318574173	IBXWSUNVGKYCTI-JOCHJYFZSA-N	413.562	3.609	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(N4CCC(C)CC4)nc3)CC2)cc1	1319496508	MWEAAAIILPYABT-UHFFFAOYSA-N	408.546	3.679	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccnc(OC3CCC3)c2)cc1	1323155236	TVAYIHKOQFWKTD-QFIPXVFZSA-N	409.530	3.900	10	20	HHCD	
CN(C)CCOc1ccccc1N1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1323311795	VCCAWGKSPKRDEV-UHFFFAOYSA-N	408.590	3.549	10	20	HHCD	
Cc1sc2nc([C@@H](C)N[C@H](C)c3ccc(N4CCOCC4)cc3)[nH]c(=O)c2c1C	65278404	WNZRKXZMGDSOAQ-HUUCEWRRSA-N	412.559	3.850	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)n(C)c2ccccc12	582926207	VJJHGVUSRDTILG-OAQYLSRUSA-N	418.541	3.533	10	20	HHCD	
COc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Br	725877413	VLOOXKXNIWTJDE-UHFFFAOYSA-N	406.324	3.865	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nncn4c3)c2C)c1	725929787	HHHZVCPTWOXZGI-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1	734191031	NWZPGZFDNUCDGD-MAUKXSAKSA-N	404.894	3.588	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	734675932	LYMRBLGAUWPPPL-IRLDBZIGSA-N	409.530	3.752	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CN(CC)C(=O)OC(C)(C)C	743808189	NQQFTWCAQQYVDY-UHFFFAOYSA-N	415.328	3.760	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccncc3)cc2F)C[C@@H](C)O1	744280244	HQPDFRLMLZJMGF-BRWVUGGUSA-N	400.498	3.737	10	20	HHCD	
C[C@H](OC(=O)[C@H](C)c1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	745130252	YRRUXXVTQVJFNN-KGLIPLIRSA-N	417.417	3.729	10	20	HHCD	
CCCCn1ncc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1C	746137479	DDSWSNXVHAJWGM-UHFFFAOYSA-N	416.545	3.594	10	20	HHCD	
Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)cn1	746808523	GLSCAXRSKOEXBN-KRWDZBQOSA-N	416.485	3.865	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4c(cnn4C)c3)c2C)cc1	747734090	OVJFHCAQXLMFBF-UHFFFAOYSA-N	402.454	3.724	10	20	HHCD	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1ccc(N2CCCC2)cc1	750625951	KQYOOSWBNFEDNK-UHFFFAOYSA-N	410.518	3.709	10	20	HHCD	
COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1	751044182	NRWUIRLDIZNJDT-UHFFFAOYSA-N	422.934	3.595	10	20	HHCD	
Cc1ccc([C@@H](C)NC(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1C	751931850	UGEOTOJHBWTBHG-MRXNPFEDSA-N	423.538	3.967	10	20	HHCD	
CC[C@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H](CC)CN1C(C)=O	752967629	OOUNVDIVIMFDRW-FCHUYYIVSA-N	414.594	3.854	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC(OC[C@@H]3CCOC3)CC2)ccc1N1CCCCC1	753567872	BIZUTFZSTYMTNT-LJQANCHMSA-N	403.523	3.603	10	20	HHCD	
CCNC(=O)COc1cccc(CN[C@@H](C)c2cc(Br)ccc2O)c1	756434651	XRWWVVLYERFKRK-ZDUSSCGKSA-N	407.308	3.520	10	20	HHCD	
C[C@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)cc(F)c1O	756602788	FNYNCORYJOCQLS-VBKZILBWSA-N	423.326	3.581	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)cc(F)c1O	756712952	RADDAZZFJWRBFS-MEBBXXQBSA-N	411.246	3.889	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1	758980915	PSOPBFSBEQIGCQ-QFIPXVFZSA-N	422.573	3.723	10	20	HHCD	
COc1ccccc1[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccn1	760446567	CGWNKGRYIHYJCM-DEOSSOPVSA-N	407.489	3.945	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)cc1	761027671	WGVDSBMIODWSEO-SFHVURJKSA-N	420.517	3.844	10	20	HHCD	
CCCCC[C@@H]1NC(=O)N(Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1=O	761096797	LFAWWRSJKQYBEO-KRWDZBQOSA-N	413.440	3.543	10	20	HHCD	
CO[C@@](C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1	761983383	REHKAMHGIMYHPG-DENIHFKCSA-N	402.922	3.688	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3CCO[C@H]([C@@H]4CCOC4)C3)ccc21	763091421	CJNCIHAPSLWMNH-KNKQGSTJSA-N	401.503	3.645	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2	764236978	RWTPYIWOLHKSSN-UHFFFAOYSA-N	413.543	3.671	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3csc(-c4ccco4)n3)CC2)cc1	764374439	QGFDNKYRYJMKKB-UHFFFAOYSA-N	412.515	3.834	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2C[C@@]23CCOC3)c(C)n1-c1ccc(OC(F)F)cc1	764645245	GNFSXIUBGUEYRN-PGRDOPGGSA-N	419.424	3.848	10	20	HHCD	
COc1cc(C)c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OC	765288244	XLKZHOKUUONEHB-INIZCTEOSA-N	402.510	3.963	10	20	HHCD	
COc1ccc2cc([C@H](C)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)ccc2c1	765980079	NSFVHGLELFNVLE-SFHVURJKSA-N	424.566	3.934	10	20	HHCD	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	766240652	DDNBPBNEPQJTTI-UHFFFAOYSA-N	402.426	3.509	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(F)cc3C(=O)N(C)C)ccc21	767148032	QRMKTXUJBPQIAY-UHFFFAOYSA-N	411.477	3.998	10	20	HHCD	
O=S(=O)(Cc1ccccc1)Cc1cccc(NCc2cc3c(cc2O)OCO3)c1	770578553	AEGQXWZAAILUIN-UHFFFAOYSA-N	411.479	3.848	10	20	HHCD	
COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(OC)c1OC	773017420	GMQXQCUCGCHACY-HNNXBMFYSA-N	414.502	3.619	10	20	HHCD	
COC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1	773189594	DAUXTDKSQINXDT-AWEZNQCLSA-N	422.403	3.613	10	20	HHCD	
C[C@@H]1CCCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)C1	773855956	GZFAJLVZVWFYGO-RTBURBONSA-N	422.573	3.800	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1Br	774523695	JGSDWLHEMTYFMU-VIFPVBQESA-N	411.212	3.867	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1	775376448	WWQIKMJHJCFMCR-HOCLYGCPSA-N	408.502	3.881	10	20	HHCD	
CCOC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1	775632947	DMBPJOQBXLQZRI-SNVBAGLBSA-N	421.129	3.692	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H](C1CCCC1)C(F)(F)F	775774250	JCBMDWODQCNICZ-GOSISDBHSA-N	417.447	3.707	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(OC(F)F)cn2)cc1	776313982	OODHDSLNAGTKSZ-UHFFFAOYSA-N	403.351	3.954	10	20	HHCD	
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Br)nn2C)SC1=S	779203456	IAZXMXXKKNVBHU-IIUHBTCJSA-N	400.367	3.963	10	20	HHCD	
Cc1ccc(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c(O)c1O	780891631	YLVLMTOXFYWVEP-MRXNPFEDSA-N	422.403	3.519	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1C1CCCC1	783910860	LPAIAIHDRHDYKN-UHFFFAOYSA-N	414.525	3.856	10	20	HHCD	
CC(C)(C)c1nsc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)n1	784109507	USYOMAUXNAHQMM-UHFFFAOYSA-N	401.536	3.580	10	20	HHCD	
C[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1O	788594487	NFJHCFQNVGIPDC-LBPRGKRZSA-N	403.422	3.544	10	20	HHCD	
COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@@H]1CCCO1	790271560	QAGUUCXIQBTIRV-MOPGFXCFSA-N	421.335	3.780	10	20	HHCD	
COc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(O)c1	794381052	IVOANVUTKHWKTG-OAQYLSRUSA-N	404.466	3.578	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncccc1Oc1ccccc1	799650659	KGAJCSDVSMAZTP-UHFFFAOYSA-N	421.472	3.904	10	20	HHCD	
C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800345022	ZWTYKVMJJQQEHC-CABCVRRESA-N	403.910	3.604	10	20	HHCD	
Cc1cc(CC(=O)OCc2ncnn2CC(F)F)c(C)n1-c1ccc(Cl)cc1	801214875	XKYZQLCSQADGJS-UHFFFAOYSA-N	408.836	3.890	10	20	HHCD	
COc1cccc(CNc2ncnc(CC(C)C)c2I)c1O	804424771	NLHXQTLTRPBRJJ-UHFFFAOYSA-N	413.259	3.606	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1	804542735	NEGQKMLYPBGJGB-LADGPHEKSA-N	417.553	3.597	10	20	HHCD	
C[C@@H](NC(=O)Nc1nc(C2CCOCC2)cs1)c1ccc(N2CCOCC2)cc1	806729551	PWDZAZOSGWUNDH-OAHLLOKOSA-N	416.547	3.756	10	20	HHCD	
CC(C)C(=O)Nc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccn1	815153707	WLZNCOAHVGOUDS-OAQYLSRUSA-N	424.545	3.564	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H](O)CC2)c(C)n1-c1cccc(Br)c1	815299357	YHQWAPYOCZZWGE-GOSISDBHSA-N	405.336	3.886	10	20	HHCD	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	914577126	HGJLMCGTPFYOCQ-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(NC(=O)C3CC3)CC2)c(C)n1-c1ccc(Cl)cc1	915185263	JZIWUXNLEDNYSC-UHFFFAOYSA-N	413.949	3.807	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](CN1CCCC1)c1ccccc1	916469575	KYQGSDVMKAGQLY-HSZRJFAPSA-N	424.614	3.876	10	20	HHCD	
COc1cc(OC)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl	916669651	HYQUBJQCFDKUCI-UHFFFAOYSA-N	423.872	3.655	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CN2CCCC2=O)c(C)n1-c1cccc(Br)c1	920292923	NEBSGEVPKWSXLE-ZDUSSCGKSA-N	418.335	3.597	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccccc3N3CCCCCC3)CC2)cc1	935041957	ZNVFVBYRAOOJQH-UHFFFAOYSA-N	422.573	3.836	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(CNC(=O)C=C(C)C)cc3)CC2)cc1	1319397269	KAPLBTUESYPADM-UHFFFAOYSA-N	421.541	3.630	10	20	HHCD	
CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1319715776	QKKJUHHIFNCRSO-UHFFFAOYSA-N	412.553	3.655	10	20	HHCD	
Cc1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1S(N)(=O)=O	108935424	FDCCLBINBZEJIG-UHFFFAOYSA-N	417.918	3.956	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(Br)ccc1O	108195347	CHFDDMZPGBYSEV-UHFFFAOYSA-N	407.333	3.638	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ccc(N4CCOCC4)nc3)c2C)c1	22484448	MJTMLSSDRQMCGO-UHFFFAOYSA-N	404.514	3.564	10	20	HHCD	
O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c(OC(F)F)c1	302055914	QNBBJWJYGHWVKH-UHFFFAOYSA-N	411.380	3.909	10	20	HHCD	
COc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1F	302635864	OQPKUSFVXFOPON-HXUWFJFHSA-N	400.494	3.651	10	20	HHCD	
COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	140957239	PWXLYZSTKCFUSM-JKSUJKDBSA-N	401.482	3.792	10	20	HHCD	
O=C(NCCN1CCCC1)c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1	238076062	CREKFWBJVCDZGZ-UHFFFAOYSA-N	420.601	3.792	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnn(Cc3ccccc3)c2)cc1	96956539	TUSALKLPBRTSAO-XMMPIXPASA-N	418.541	3.819	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(CC(F)(F)F)[C@@H](C)C3)ccc21	535687947	HLVCTMPRPNQPCD-AWEZNQCLSA-N	411.468	3.613	10	20	HHCD	
COc1ccc(-c2nsc(NC(=O)N3CCOc4cc(N(C)C)ccc43)n2)cc1	558447649	IKSVBDSQQYMYRZ-UHFFFAOYSA-N	411.487	3.711	10	20	HHCD	
Oc1ccc(Br)cc1CNC[C@H](O)c1cccc(Br)c1	800288788	BWVQKDAVAHNSDL-HNNXBMFYSA-N	401.098	3.740	10	20	HHCD	
CN(CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)Cc1ccc(F)cc1	805170088	YHOJZUHNRUIYRD-UHFFFAOYSA-N	400.281	3.769	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@@H](CC1CCC1)c1ccccc1	806280033	HYQIQOBVOPPCTE-KRWDZBQOSA-N	403.573	3.789	10	20	HHCD	
O=C(Nc1cccc(F)c1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O	806844699	RRDALORFGLLXAC-UHFFFAOYSA-N	402.809	3.945	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(Br)c1	808115192	RXRYHLYWNKRLEV-UHFFFAOYSA-N	410.648	3.757	10	20	HHCD	
Cc1cc(Br)ccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	472794249	QGOAZWZSFBPIPW-UHFFFAOYSA-N	414.303	3.813	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n(C)c2ccccc12	564365482	WBEBYPUEGBLUAE-GOSISDBHSA-N	421.463	3.684	10	20	HHCD	
NC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1	815857996	CEKDYPDFAARHLQ-HXUWFJFHSA-N	415.453	3.773	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)oc1C	814291248	FXIFLNNUJQZKPR-CXUHLZMHSA-N	401.465	3.983	10	20	HHCD	
COCC(C)(C)N(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	817031094	OIBLHAKIFGCSMS-SDNWHVSQSA-N	412.602	3.613	10	20	HHCD	
C[C@@H]1CN(C(=O)c2ccc(CNCc3cc(Cl)c(F)cc3O)cc2)C[C@@H](C)O1	816539988	ATSTZFRCWLWAQN-ZIAGYGMSSA-N	406.885	3.724	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Br)c2c1OCCC2	485896055	LCWADYWRIATSGU-UHFFFAOYSA-N	417.303	3.879	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)c1	729047280	CYDANNIUYNCTPE-AWEZNQCLSA-N	407.511	3.551	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NCc3sccc3C)ccc21	728638101	IHLQAJPAEKPVMT-UHFFFAOYSA-N	414.527	3.748	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1O	725848198	NPRNUVMILVYDTM-LBPRGKRZSA-N	421.291	3.971	10	20	HHCD	
Cc1ccc(C(=O)OCc2nnc(-c3c(-c4ccccc4)noc3C)o2)c(O)c1O	727006028	ZVOAFMFNDGXPCU-UHFFFAOYSA-N	407.382	3.777	10	20	HHCD	
Cc1ccccc1[C@]1(C)NC(=O)N(CN(C)Cc2ccc(N3CCCCC3)cc2)C1=O	728043309	XEMUAIMMBPQSDP-VWLOTQADSA-N	420.557	3.842	10	20	HHCD	
Cc1ccc(C[C@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	733343488	QURYZYFHABSTHD-OAQYLSRUSA-N	411.521	3.887	10	20	HHCD	
COC(=O)c1cc(Cl)cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	737012231	OUVGEIHQYPPGIS-UHFFFAOYSA-N	417.893	3.627	10	20	HHCD	
COc1cccc(C(=O)NCCNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	904227676	NZJBURAUGAFYIM-UHFFFAOYSA-N	405.498	3.571	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(C)n1-c1ccccn1	914847519	VEOHEPMUSJVZDV-IBGZPJMESA-N	418.545	3.827	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(F)cc3Cl)cc2F)C[C@@H](C)O1	917169533	BJIVZCILKSBYNJ-OKILXGFUSA-N	424.875	3.927	10	20	HHCD	
CN(C)c1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916631096	BYGDJOBWENDISG-UHFFFAOYSA-N	422.451	3.930	10	20	HHCD	
CC(C)[C@H](CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	918006940	UWLZSACIKIFCME-GMAHTHKFSA-N	422.573	3.627	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccccc1N1CCCCC1	743958469	YPMMTMDYISUKPT-UHFFFAOYSA-N	407.514	3.516	10	20	HHCD	
COC(=O)[C@H](O)C1CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1	747517363	JLJKIRMTSRECKR-JOCHJYFZSA-N	412.530	3.604	10	20	HHCD	
CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749408053	ZLLBVTSTCWBQOM-QFIPXVFZSA-N	400.494	3.569	10	20	HHCD	
Cc1ccccc1[C@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1	743564386	KMBWYAPZOQTMIB-AUSIDOKSSA-N	409.530	3.676	10	20	HHCD	
O=C(NCCOc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743505489	YBNPQBCKWAYUBO-MRXNPFEDSA-N	405.445	3.635	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccsc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	917949765	KUWRMEZIMWFHAW-YVMONPNESA-N	417.442	3.719	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3oc(-c4ccccc4)nc3C)cc2F)CC1	746229681	XGWPGKZLWHLBMI-UHFFFAOYSA-N	422.504	3.861	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCOc1cccc(Br)c1	918019510	JWECMQUTVZDWBR-UHFFFAOYSA-N	406.324	3.736	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(Cl)cc1	749513861	WMOYKHZYUVGBMN-SFHVURJKSA-N	401.938	3.542	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1O	745292464	CCTKXOUBPJEIQR-QGZVFWFLSA-N	403.548	3.735	10	20	HHCD	
CCCCN1C(=O)CC[C@H](C(=O)NCc2ccccc2O)[C@H]1c1ccc(OC)cc1	748346043	KWHSSJCWJMGHDS-NZQKXSOJSA-N	410.514	3.797	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccn1	920886992	VHTSWIKTFCRRML-SFHVURJKSA-N	404.514	3.817	10	20	HHCD	
Cc1cc(=O)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nn1-c1ccccc1	751303562	YBNDXBGZEVEYKA-UHFFFAOYSA-N	422.448	3.503	10	20	HHCD	
COc1ccc(N2CCN(CCC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1F	753857513	MSRRUAIGKGFODU-QFIPXVFZSA-N	411.521	3.540	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCCCNC(=O)c2ccc(Br)cc2)c1	756523149	AUIIPNHTMLZECQ-ZDUSSCGKSA-N	407.308	3.634	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c1	756589209	KEIVNRRUUSIQAS-UKRRQHHQSA-N	406.429	3.710	10	20	HHCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1ccc(CNC(=O)c2cc(O)cs2)cc1	753502406	GTGYPAFJLVJLOY-LLVKDONJSA-N	402.497	3.642	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C	920920860	NLMAJUCQKVRWDD-DENIHFKCSA-N	404.599	3.640	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)n1	755838292	QVGUOXIOLRYMID-UHFFFAOYSA-N	408.424	3.876	10	20	HHCD	
C/C(=C/C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC(F)F	753201154	RRGNGJNTJMLRAM-QINSGFPZSA-N	420.431	3.983	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccc4c(c3)nc(O)n4CC(F)(F)F)ccc21	765336872	ODUYLQVBNFSMFH-UHFFFAOYSA-N	418.419	3.617	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(Br)cc1F	761996010	QUYRLUNJONEKPM-UHFFFAOYSA-N	404.257	3.882	10	20	HHCD	
Cc1ccc2c(c1)[C@H](NC(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CO2	763653198	DHWMDUKWGOPMMI-LJQANCHMSA-N	417.456	3.998	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3nnn(-c4ccccc4)c3C)cc2F)CC1	765849828	RHPJZBBFJIVHOI-GOSISDBHSA-N	422.552	3.708	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc1	764858187	HEUDUUTUECQOKJ-LJQANCHMSA-N	409.313	3.774	10	20	HHCD	
COc1cc(NC(=O)c2ccccc2)c(C(=O)N(C)Cc2ccccc2O)cc1OC	769279835	BOLUJGMQCJUMSE-UHFFFAOYSA-N	420.465	3.934	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1c(Cl)ccc2nonc12	1117507473	MJZWFBBXFWTTTF-SSDOTTSWSA-N	401.776	3.994	10	20	HHCD	
COCC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(C)o1	779396088	HJENALREUWIRNO-RBUKOAKNSA-N	402.491	3.762	10	20	HHCD	
COc1ccc(C2(C(=O)NCc3ccc(N4CCOCC4)cc3)CCCC2)cc1OC	777367377	PNRIHPZIFSVFFH-UHFFFAOYSA-N	424.541	3.669	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1	778927993	YFKYIOPZDMYPNV-QGZVFWFLSA-N	406.866	3.633	10	20	HHCD	
COC(=O)c1ccccc1-c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)o1	775950762	XGLWGQQAKUCXNJ-UHFFFAOYSA-N	424.472	3.999	10	20	HHCD	
CSc1nnc(CCCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1CC(C)C	776147604	NDOVGOGCBUEXTK-INIZCTEOSA-N	418.611	3.715	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccccc3OC(F)(F)F)c2)CC1	775490173	WGUJIGVTJJGSNY-UHFFFAOYSA-N	407.392	3.539	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C)c1ccc(N(C)C)cc1	773860075	YLWILTXAEJAGKO-CYBMUJFWSA-N	422.451	3.653	10	20	HHCD	
C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@@H]1C	881232293	QJCYWEGGHRRLRQ-VFVRVIDISA-N	406.438	3.925	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1	788937900	OEQOXMARNPCDAK-QFIPXVFZSA-N	409.505	3.700	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(C)(c4nc(C)no4)CC3)c2C)cc1	781192186	LXSACSODYNYUCJ-UHFFFAOYSA-N	408.502	3.988	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])c1Br	785843751	IYDWZDGBRQVZPP-UHFFFAOYSA-N	418.244	3.668	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1F	782093673	UNGVUFGXUSKXLR-KBPBESRZSA-N	405.445	3.909	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1	784030451	PMIZRYKPFQJESW-UHFFFAOYSA-N	417.456	3.648	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1	784456149	YVXUBEIPGWSNMJ-UHFFFAOYSA-N	411.481	3.716	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c(OC)c1	785547730	HRMMVZPZHKFMLT-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)c1O	796850585	NCBYMOMZUOHJTP-UHFFFAOYSA-N	414.845	3.878	10	20	HHCD	
CCOc1cc(N2CCN(Cc3c(O)ccc4ccncc34)CC2)ccc1[N+](=O)[O-]	794675091	SVHKKVSDZDJZLT-UHFFFAOYSA-N	408.458	3.570	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1OCCO	798321267	JPMMQNQMWCZJFH-UHFFFAOYSA-N	412.530	3.765	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](C)[S@@](=O)[C@H](C)C2)c(C)n1-c1ccc(Br)cc1	791171741	ALXKBARGNGFSLH-UXYJLEPLSA-N	423.376	3.838	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c(O)c1	794377666	TZBMJKKBKBKWKP-UHFFFAOYSA-N	423.465	3.927	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2ccc(O)cc2SC)ccc1Br	792703464	XRLWOIWRZWKMHF-UHFFFAOYSA-N	404.307	3.686	10	20	HHCD	
CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(Br)cc(C)c2O)cc1	798085284	NQIMRVKJPWUGFL-INIZCTEOSA-N	407.308	3.576	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1	1318522016	DKFNCXHNKBVHGJ-JOCHJYFZSA-N	406.530	3.719	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	1320978630	PZOBSSUXJWFZKQ-GFCCVEGCSA-N	402.813	3.506	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)c(C)n1-c1ccccn1	1322274035	ICCUOXHRVDKDMG-FQEVSTJZSA-N	402.498	3.524	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cnn(Cc4cccnc4)c3)ccc21	1322451336	BXJGAMJJFUUTDL-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3C[C@H]3C3CC3)C2)cc1	1841273990	RHGOXFMSHDYYTK-XZOQPEGZSA-N	417.553	3.957	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1Br	14202986	JTDIAGOIKYHKFC-UHFFFAOYSA-N	408.208	3.837	10	20	HHCD	
O=C1C[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CN1Cc1ccccc1	98076258	CJAACTBCBDNEFV-FQEVSTJZSA-N	404.466	3.563	10	20	HHCD	
FC(F)(F)c1ccc([C@@H](CNCc2ccc3c(c2)CCO3)N2CCOCC2)cc1	237726593	ZTYSMCYURUTBBN-HXUWFJFHSA-N	406.448	3.803	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2F)CC1	303347489	XNPDLLHXUMLHCT-UHFFFAOYSA-N	414.569	3.736	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1	437022547	VRAWGPFQHKBZBW-UHFFFAOYSA-N	418.375	3.861	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(c3cn[nH]c3)CC2)c(C)n1-c1ccc2c(c1)OCCO2	728919276	HSNXUTOUSHBEIF-UHFFFAOYSA-N	420.513	3.651	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)Nc3ccc(C(C)=O)cc3)cc2F)CC1	730157482	STIVTLZMAUTXEK-UHFFFAOYSA-N	414.550	3.657	10	20	HHCD	
O=C1/C(=C\c2ccc(OC(F)(F)C(=O)O)cc2)SC(=S)N1c1cccnc1	730732940	RWVHNINPODEBIZ-MDWZMJQESA-N	408.407	3.544	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc4c3ccn4C)cc2)CC1	731131895	UNAKITNYHQGAOI-UHFFFAOYSA-N	404.514	3.670	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(OC4CCCC4)c3)cc2)C1	731167923	BGPKMXXARGTNEM-FQEVSTJZSA-N	421.541	3.640	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCOc2ccc(F)cc21	731681585	FTAOWLHMNUVMGG-IBGZPJMESA-N	401.507	3.702	10	20	HHCD	
CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	731977658	PBYZDAURVSRMEV-WIYYLYMNSA-N	411.571	3.575	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCCC[C@@H]3CN3CCCC3=O)cc2)CC1	732463604	KISULCBBOZTRNO-JOCHJYFZSA-N	412.578	3.609	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(Oc4ccccn4)cc3)ccc21	733855817	LNGOYGIESCLMMU-UHFFFAOYSA-N	416.481	3.511	10	20	HHCD	
COc1cc(C(=O)NCCCSc2nccs2)c([N+](=O)[O-])cc1OC(F)F	733974225	KOFVDIIGIQDEIH-UHFFFAOYSA-N	419.431	3.574	10	20	HHCD	
CC(C)[C@@H](C(=O)NCCCSc1nccs1)S(=O)(=O)C1CCCCC1	733974905	PIRSSBCHCYOLPZ-HNNXBMFYSA-N	404.623	3.514	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(OC3CCCCC3)cc2)cc1F	734954043	DNHQKXCECSMHEC-UHFFFAOYSA-N	413.493	3.858	10	20	HHCD	
C[S@@](=O)Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742798097	JGFBVIIPWUMFJO-SFNQZPIRSA-N	422.497	3.565	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1	742801987	VJZNCFUZWJYOCF-CQSZACIVSA-N	409.364	3.734	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1C	743045700	UHTRQEGAFJRNBB-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
CCc1ccc([C@@H](COC)NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)o1	743636014	ZOOJKKGQLDXPPR-HXUWFJFHSA-N	401.507	3.506	10	20	HHCD	
CC(C)N1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745805148	XYHDXSMQOJMJGI-ZWKOTPCHSA-N	424.536	3.676	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@H](CO)C3)c2C)ccc1Br	746462852	PSMKJYZAWDNDER-INIZCTEOSA-N	405.336	3.662	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3cc4ccccc4[nH]3)cc2F)C[C@@H](C)O1	746724533	NDIUREHVHHVPOR-HZPDHXFCSA-N	410.493	3.920	10	20	HHCD	
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C	747586403	XVKZASPCJSBQFL-UHFFFAOYSA-N	418.582	3.761	10	20	HHCD	
COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c1	747859434	XBRHQRYPEFUHQC-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
CCOc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1	748009180	CXRAHVOGHNXAJB-UHFFFAOYSA-N	418.496	3.906	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1	749565281	FJWYEKFSRMGITA-UHFFFAOYSA-N	416.481	3.707	10	20	HHCD	
CC(C)c1ccccc1OCCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	751663734	DHXDZUMJQSACBU-HXUWFJFHSA-N	423.557	3.597	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](C)c3ccc4ccccc4c3)nc12	753525555	WQVUXUCQQGLOLK-CQSZACIVSA-N	419.437	3.612	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](c3ccc(F)cc3)c3cccnc3)cc2)C1	753626142	PNTNBZMEHXUYRX-ZJSXRUAMSA-N	418.516	3.802	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1	753640244	MGUGPBRVCCTYNU-CQSZACIVSA-N	420.494	3.768	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3C)CC2)cc1F	753859939	CAUXBAQZEURBBU-HNNXBMFYSA-N	405.901	3.945	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(c3nc(C)c(C)s3)CC2)cc1	754100192	MQXWTURRDANPEU-UHFFFAOYSA-N	401.580	3.638	10	20	HHCD	
C[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)c(Cl)c1O	756361006	HMIQYQNFUGPMHF-LLVKDONJSA-N	400.306	3.604	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(C)(C)c3ccc(OC)c(OC)c3)CC2)cc1	757635993	MNINZWUNYFUTLX-UHFFFAOYSA-N	412.530	3.775	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c(C)n1-c1ccccn1	758603856	QTAIVYSNGVPVBH-FQEVSTJZSA-N	403.482	3.603	10	20	HHCD	
CSc1nsc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	762954422	UKYQODFVFSFVQL-JTQLQIEISA-N	415.491	3.652	10	20	HHCD	
Cc1coc(-c2cc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)ccc2C)n1	764252120	GFTADUYQEFQUSC-UHFFFAOYSA-N	418.497	3.814	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCN(c2cccc(Cl)c2)C1	764791626	OSSJENNNJLQETE-CQSZACIVSA-N	424.726	3.886	10	20	HHCD	
Cc1cccc(OC[C@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	765314004	KGMUSHCOAZWOII-IEBWSBKVSA-N	404.938	3.576	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1	765330875	YTVBLFMCRHUREF-GOSISDBHSA-N	403.592	3.821	10	20	HHCD	
C[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(N2CCCCCC2)cc1	765411401	XVTVTOYOZXFDIB-IBGZPJMESA-N	401.576	3.696	10	20	HHCD	
Cc1nn2c(CN[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c(C)nc2s1	766472490	DMODTBQFGKISPK-CQSZACIVSA-N	407.490	3.768	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cccc(F)c4C3)cc2F)C[C@H](C)O1	767198670	MLDKDQLCQRZXEP-HOTGVXAUSA-N	415.484	3.846	10	20	HHCD	
Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1[N+](=O)[O-]	768911695	HCJCMRSGXPALTK-QGZVFWFLSA-N	403.866	3.657	10	20	HHCD	
C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	775630192	IVBSCSUYUOTWRT-DLBZAZTESA-N	424.513	3.709	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(OCC(N)=O)cc1	777822703	JXAMGMVVJNSLNQ-KRWDZBQOSA-N	404.466	3.660	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)nn3C)SC2=S)cc1	778246276	IFNLMQMJOWGQLV-KPKJPENVSA-N	410.318	3.597	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)c1cccc(OCc2ccccc2)c1	779532813	SWCUEOQGTVNRSH-GCFNWXKCSA-N	405.450	3.540	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	781459959	JOOGQMPQDXJNLR-KRWDZBQOSA-N	405.502	3.900	10	20	HHCD	
O=C(OCC(=O)c1ccc(O)c(O)c1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1	782304708	VSOBCMXTLPRTQU-FQEVSTJZSA-N	416.433	3.831	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc4nc(C)ccc4c3)CC2)cc(OC)c1OC	783674562	WMCFJVLNTJLXMS-UHFFFAOYSA-N	407.514	3.891	10	20	HHCD	
O=C1Nc2c(Br)cccc2/C1=C\c1ccc(N2CCOCC2)c(F)c1	783714381	HOPWUGYJRYSCQS-GXDHUFHOSA-N	403.251	3.918	10	20	HHCD	
COc1ccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	786761728	QJBNVMYLRZNHFQ-GOSISDBHSA-N	409.530	3.521	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)c1	787130925	COYREVSFSIGYCQ-CQSZACIVSA-N	400.475	3.917	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1OC(F)F	787869689	MYGVSYLLGKQEGT-RDTXWAMCSA-N	419.472	3.799	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@H](CSc2ccccc2)C1	788909277	GKXCHKHBKLGISM-FQEVSTJZSA-N	423.582	3.544	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1	788910598	CQADKKIZTJVXIL-VXKWHMMOSA-N	405.542	3.746	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc(Br)cn1	793101857	HCQXBDLASWQPPU-SNVBAGLBSA-N	401.355	3.843	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1ccc(Cl)cc1	793672363	AHVVULKHFIQREP-UHFFFAOYSA-N	402.922	3.878	10	20	HHCD	
COc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c(O)c1	794389965	UJKDAKDKFGUNKL-IFXJQAMLSA-N	423.296	3.543	10	20	HHCD	
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(Cc3c(O)ccc4ccccc34)C2)CC1	795748802	YYXBZUXVAQBJDA-LJQANCHMSA-N	411.546	3.672	10	20	HHCD	
COc1cc(Cl)cc(CNc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1O	798082952	HUKTYWUYIDIYFM-KBPBESRZSA-N	404.894	3.916	10	20	HHCD	
CCCCN(Cc1cc(=O)n2cc(Br)ccc2n1)Cc1ccccc1O	801598012	SJIICRWJSRGVTO-UHFFFAOYSA-N	416.319	3.965	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	804358911	BIIHUVBTRQWZBP-CHWSQXEVSA-N	404.398	3.868	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H](C)c2ccc(F)cc2F)cc1	805314628	OCRUVZMDZMEZJU-INIZCTEOSA-N	417.500	3.689	10	20	HHCD	
CC(=O)NCC[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1	805821758	DRVHILNCHPJSRS-FQEVSTJZSA-N	413.537	3.963	10	20	HHCD	
C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc2c(c1)CCCN2C	806634146	DSCXBSDNKJTJBU-INIZCTEOSA-N	408.550	3.605	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21	809711506	CQIGQXAOLOFLPW-HXUWFJFHSA-N	424.545	3.636	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3ncccn3)c2C)cc1	812603365	SALGTWBHFBHERA-UHFFFAOYSA-N	407.470	3.642	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](C)c3ccc(N4CCCNC4=O)cc3)CC2)cc1	812742981	YVISRWFCUXSUKX-SFHVURJKSA-N	408.546	3.935	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	814102054	BKUXMWHVHMPWTH-AERCQKQUSA-N	413.562	3.748	10	20	HHCD	
CCc1ccc([C@@H]2CCN(Cc3cc(C(C)=O)cc(CN4CCOCC4)c3O)C2)cc1	814224491	HELRQTDTERFMIT-JOCHJYFZSA-N	422.569	3.979	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1nsc2ccc(C)cc12	815952323	HUCPYGOKPSJYBI-UHFFFAOYSA-N	404.875	3.779	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)c([N+](=O)[O-])c1	817951897	KXZIDSIOKRZSEO-UHFFFAOYSA-N	417.468	3.626	10	20	HHCD	
Cc1cccc(N2C[C@H](C(=O)NCc3ccc(N4CCSCC4)cc3)CC2=O)c1C	917385587	CBBOKYNCWLPYLM-HXUWFJFHSA-N	423.582	3.526	10	20	HHCD	
COc1c(C)ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C	918293931	JKGGCDSRDFJOTO-UHFFFAOYSA-N	408.454	3.778	10	20	HHCD	
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918295686	SJJCKYZCYVGWDH-HNNXBMFYSA-N	423.296	3.845	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(=O)n(C)c2)c(C)n1-c1ccc(F)c(Cl)c1	919199791	OTJRLWNNGMTEJU-UHFFFAOYSA-N	416.836	3.625	10	20	HHCD	
CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(N4CCCCC4)c3)ccc21	919823493	HABZYYAHFOTWHA-UHFFFAOYSA-N	413.543	3.641	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	1318311070	WZEOIUMTBCQDQD-LFIBNONCSA-N	409.785	3.970	10	20	HHCD	
O=C(CCc1nc(-c2ccccc2)no1)N(Cc1ccccc1O)C[C@H]1CCCO1	1335410120	OOIILVUVHBIQCH-LJQANCHMSA-N	407.470	3.583	10	20	HHCD	
CCc1nc2ccccc2n1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	108284566	SJRFFRIUNVBWFJ-IAGOWNOFSA-N	424.520	3.668	10	20	HHCD	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccc(N2CC=CC2)cc1	301331009	DPHPWFYMVWMTBJ-UHFFFAOYSA-N	409.414	3.579	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(S(=O)(=O)CC)cc1	802283358	OPBTXAQIMUTHJN-UHFFFAOYSA-N	404.532	3.698	10	20	HHCD	
CC(C)CC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C	803297608	BGGVFNGVBFFTEN-RXVVDRJESA-N	417.594	3.668	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1)C1CCCCC1	803677804	UBSBJGYOYLSBIN-OAQYLSRUSA-N	423.561	3.549	10	20	HHCD	
COc1ccc([C@@H](NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)C(C)C)cc1	567762437	MKHINLOJUDNHHE-QFIPXVFZSA-N	407.514	3.625	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H](c3ccccc3C)N(C)C)CC2)cc1	806684104	QOCZIHCTPUYPQE-YADARESESA-N	424.589	3.963	10	20	HHCD	
C[C@H](NC[C@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)c(F)c1	800497761	RERVCUXKNFIYPX-XOBRGWDASA-N	423.326	3.809	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c(s1)CCCCC2	802610478	BOUZWAUIKFKHRI-UHFFFAOYSA-N	401.532	3.885	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCc2ccccc21	803689711	XJHKTKRMUXRCAY-HSZRJFAPSA-N	405.542	3.611	10	20	HHCD	
COC(=O)C1=NO[C@H](CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)C1	814773469	SOYWHCZWBBIREP-AQCBWYQMSA-N	418.521	3.923	10	20	HHCD	
CC[C@@]1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)OCCc2ccccc21	811926306	PFOBFWNDPZAJJA-VWLOTQADSA-N	423.557	3.543	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3C)n2)c[nH]1	727248016	ZSCOWESJUPVHAI-UHFFFAOYSA-N	411.892	3.687	10	20	HHCD	
COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	725819336	QCQRIRVULHKWDR-UHFFFAOYSA-N	419.934	3.784	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cc(C)n(Cc3ccco3)c2C)SC1=S	814269436	RUXYHCGSGJATBI-BOPFTXTBSA-N	418.540	3.901	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)(C)c1ccccc1	728128600	BVRUOHDMALOEHZ-ICSRJNTNSA-N	422.573	3.554	10	20	HHCD	
CCCc1nc(C(=O)NCc2cc(OC)ccc2O)nn1-c1ccccc1Cl	734018048	CBQPVAUIOJLJGX-UHFFFAOYSA-N	400.866	3.517	10	20	HHCD	
CCSc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	733846167	NXQFKIFPACZFER-KRWDZBQOSA-N	412.559	3.822	10	20	HHCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	736197071	YUHYKQYGKOWJBO-YGOYIFOWSA-N	416.606	3.989	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2Oc2cccc(C)c2)c1	734074896	XQZUECLGOCIBLW-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
COC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)nc1	732114601	IPHWJLPTLYIGCU-UHFFFAOYSA-N	419.481	3.790	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-c2ncc(C)o2)c1	731406933	NTTPXUMJNLCDEX-UHFFFAOYSA-N	406.486	3.703	10	20	HHCD	
Cc1cc(C(=O)CN2CCCN(C[C@H]3CCCO3)CC2)c(C)n1-c1cccc(F)c1	738316716	FVYKTNGLYBWMAZ-JOCHJYFZSA-N	413.537	3.603	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)CCc3ccccc3)cc2F)CC1	730111370	CSDCWUUNGQUHKX-LJQANCHMSA-N	412.553	3.788	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1	912859229	IJPNHCDPZITJPQ-LFIBNONCSA-N	401.469	3.626	10	20	HHCD	
Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1Cl	919729632	DCTWAKOOIZWCEO-UHFFFAOYSA-N	415.342	3.617	10	20	HHCD	
O=[N+]([O-])c1ccc(/C=C(/Cl)c2nc(O)c3c(n2)=S=C(c2ccccc2)C=3)cc1	747164726	NOZCIPINFCZXTE-MHWRWJLKSA-N	409.854	3.826	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCC(=O)c3ccc(Cl)cc3)CC2)cc1	748523990	UNBGSLXFHZOJLP-UHFFFAOYSA-N	418.946	3.613	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	747210205	LRMFJYQDGSIICM-QFIPXVFZSA-N	408.498	3.883	10	20	HHCD	
Cc1ccccc1-c1csc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)n1	917886012	LXYFZSKCEIXPKY-UHFFFAOYSA-N	401.513	3.621	10	20	HHCD	
CC(=O)c1cc(CN(C)Cc2ccc(Cl)s2)c(O)c(CN2CCOCC2)c1	916567702	SKWKMSLHNJOWJP-UHFFFAOYSA-N	408.951	3.774	10	20	HHCD	
CCc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	916457648	KNAZMGMLZYKXRP-UHFFFAOYSA-N	422.447	3.800	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H](c2ncc[nH]2)C1	745905107	XDRTZBCYMDGFES-JKSUJKDBSA-N	419.476	3.569	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1ccc(I)o1	917524504	FJIZMGARESQHGK-LUAWRHEFSA-N	410.255	3.622	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccnc(Cl)c2)NC(=O)OC(C)(C)C)cc1	742751096	RLMKQOHNIHGLME-QGZVFWFLSA-N	418.925	3.797	10	20	HHCD	
CC(=O)NC1CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1	747836785	KJDRFGKAOXIYMY-UHFFFAOYSA-N	421.463	3.896	10	20	HHCD	
CCc1cccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	916457161	ZFRLPVJFLRYBOH-UHFFFAOYSA-N	422.447	3.800	10	20	HHCD	
CCc1cccc(CC)c1NC(=N)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	849070104	DHGZOYQWHZXHMH-HXUWFJFHSA-N	407.562	3.650	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C(=O)N2CCC[C@@H](C)C2)cc1	918285551	MVLYCMVLBIKQSD-GOSISDBHSA-N	409.530	3.553	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc2ncsc2c1	916680620	MDIWJSYGQQSXER-UHFFFAOYSA-N	400.479	3.718	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCC[C@H]1C	749697307	VKAQDCCZOHFTQX-SJORKVTESA-N	421.501	3.946	10	20	HHCD	
C[C@H](N[C@H](C)Cn1cccn1)c1cc(Br)cc(Br)c1O	756673305	YLSZBBGCWUGFQL-ZJUUUORDSA-N	403.118	3.853	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1c(C)noc1C	757010092	HYGOYAUPSDYWQJ-KSMMKXTCSA-N	418.513	3.995	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)CN(C)C	754355587	ARZNYDQZSWLBNZ-HOTGVXAUSA-N	412.525	3.532	10	20	HHCD	
COc1ccc(N[C@H](C)c2cc(Br)c(F)cc2O)cc1-n1nnnc1C	757589288	DDZYYSSOORADKM-SECBINFHSA-N	422.258	3.760	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cc(-c3ccccc3)ccc2O)cc1	757955849	GKLHMMHJAAXGHL-UHFFFAOYSA-N	412.467	3.531	10	20	HHCD	
CC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	751121462	UGRDXWBKJYJCIW-KRWDZBQOSA-N	423.918	3.618	10	20	HHCD	
C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769669136	UPKXFFANHWMIJW-BBRMVZONSA-N	408.545	3.905	10	20	HHCD	
CCS[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)n1	765677822	IXZGXGVDMZSZEH-OAHLLOKOSA-N	403.552	3.826	10	20	HHCD	
COc1ccc([C@H](OC)[C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	762286899	HIYJCUROKLUXTF-RNODOKPDSA-N	418.877	3.595	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761152364	ZACBLRXFQWXCDF-GASCZTMLSA-N	407.942	3.566	10	20	HHCD	
CO[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1ccc(Cl)cc1	764782685	HPZKTHLJTDMHJQ-HNNXBMFYSA-N	413.699	3.995	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCOC4(CCCC4)C3)cc2F)C[C@@H](C)O1	768523443	URPWKKHZMXMMBA-ZIFCJYIRSA-N	419.541	3.730	10	20	HHCD	
OCCN(Cc1ccc(N2CCCCC2)cc1)Cc1cnn(Cc2ccccc2)c1	769401272	FCIOOVCZBOBLBR-UHFFFAOYSA-N	404.558	3.916	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1cc(Br)ccc1O	761499566	PWLHMYSQFCMKLA-SFHVURJKSA-N	419.367	3.542	10	20	HHCD	
COc1cc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1SC	765250640	CQQAWSYUQCJIAL-LPHOPBHVSA-N	413.587	3.970	10	20	HHCD	
CC[C@@H](C)n1ncc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1C1CC1	760688300	WRZLVAVWTTXTKZ-OAHLLOKOSA-N	400.498	3.842	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cncnc2)c(C)n1-c1cccc(Br)c1	760796908	ASKDQGRLQYGAJW-UHFFFAOYSA-N	414.259	3.686	10	20	HHCD	
Cc1c(C(=O)NCc2cccc(Br)c2O)cnn1Cc1ccccc1	765758556	YWSSMZAVPJBSII-UHFFFAOYSA-N	400.276	3.638	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCCc3cccs3)cc2Cl)C1	775102007	ZAROKSQREMYCJX-HNNXBMFYSA-N	419.978	3.613	10	20	HHCD	
O=C(CNc1ccc2c3c(cccc13)CC2)NCc1ccc(N2CCOCC2)c(F)c1	772901915	OYUCXWRIWRMASI-UHFFFAOYSA-N	419.500	3.642	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccc1O	779525187	NUHGCSGIJKNRCC-LJQANCHMSA-N	413.518	3.762	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	775192456	MWFIKNLTAOHXQE-SFTDATJTSA-N	410.514	3.557	10	20	HHCD	
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773743254	ABVGQMOEJBUKJW-KBXCAEBGSA-N	418.921	3.643	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	779380650	WTSBPQODPBEDQN-INIZCTEOSA-N	408.285	3.646	10	20	HHCD	
COC(=O)COc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	773010710	RKOKZWNNPCEYGJ-MRXNPFEDSA-N	418.921	3.579	10	20	HHCD	
CCc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C(=O)O	871793066	ZJWMQDOTBUCPJA-UHFFFAOYSA-N	416.543	3.758	10	20	HHCD	
Oc1c(F)cc(Cl)cc1CNc1ccc2nc(CCN3CCOCC3)[nH]c2c1	777496615	OWZFIFWGZUXSKK-UHFFFAOYSA-N	404.873	3.548	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	776809113	XQYOOPYCYWKTDF-MRXNPFEDSA-N	404.511	3.542	10	20	HHCD	
COCCO[C@H]1C[C@H](CO)CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	772178263	YZKGZYQLZKSHCU-UWJYYQICSA-N	412.490	3.980	10	20	HHCD	
CS(=O)(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2O)Cc2ccccc21	770379015	GNPCETWKXIWUSK-UHFFFAOYSA-N	408.523	3.841	10	20	HHCD	
CN1CC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1	779540325	QUECZJDLSYJAMD-NXSPNJOASA-N	404.869	3.713	10	20	HHCD	
O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(Cc1ccco1)Cc1ccccc1O	782010908	FVLIASOHNLZLDI-OAQYLSRUSA-N	421.409	3.615	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)cc1	784106736	NDXUYHHPGVBJBK-UHFFFAOYSA-N	403.486	3.616	10	20	HHCD	
C[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCCOC1	780117326	HMAWAWPLWRJLBN-DWSHKFMRSA-N	424.613	3.661	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc(Br)cc2OC)c1	782740871	XKVROQSCYPAGJE-GFCCVEGCSA-N	408.292	3.982	10	20	HHCD	
Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)n2)c1	787016763	GKXXKAUDUKYFMM-HOTGVXAUSA-N	410.497	3.563	10	20	HHCD	
CON(Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	780656905	LPIAJXCKLUOXJE-UHFFFAOYSA-N	423.435	3.815	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(Br)cn1	793242373	PKIQGIIBRQNIRH-GFCCVEGCSA-N	404.308	3.989	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c(O)c1	792813461	NOAAWPBXCRUBOK-UHFFFAOYSA-N	405.454	3.653	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(NCc2c(O)ccc(Cl)c2F)CC1	790954980	IYHJCOUJZCGFGI-UHFFFAOYSA-N	406.885	3.517	10	20	HHCD	
COc1ccc(-c2cc(NS(=O)(=O)c3cccc4nonc34)ccc2OC)cc1	1319379038	GKJIVRQTAXWMOP-UHFFFAOYSA-N	411.439	3.708	10	20	HHCD	
CN1CCN(c2ccc(CN(C)Cc3nc(C(F)(F)F)cs3)cc2F)CC1	1319717854	MBJYLJONUXGWDW-UHFFFAOYSA-N	402.461	3.685	10	20	HHCD	
Cc1cc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1	16755436	KCFXDZZVKPYQCJ-UHFFFAOYSA-N	411.389	3.597	10	20	HHCD	
CCCN(CCC)C(=O)CCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1	111102479	XMUACMOJAHRQHB-UHFFFAOYSA-N	403.567	3.553	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2	26529937	MDJLLXZCHLNQHI-UHFFFAOYSA-N	403.910	3.909	10	20	HHCD	
CN1CCCc2cc(CNc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])ccc21	301277364	WUOSZRFVYUWCHG-UHFFFAOYSA-N	411.430	3.586	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-]	302831660	CRFNOMHGQWCLCY-INIZCTEOSA-N	419.865	3.574	10	20	HHCD	
COCCn1cc2c(n1)[C@@H](NC(=O)c1ccc3c(c1)c(C)c(C)n3CCOC)CCC2	506108028	IABTUVIQDWVDPT-NRFANRHFSA-N	424.545	3.555	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1	802102158	FOTJDUTXDCRIFM-HSZRJFAPSA-N	424.589	3.693	10	20	HHCD	
O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	809686783	KVYZHSAWFPUZEK-DEOSSOPVSA-N	421.585	3.627	10	20	HHCD	
Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	801719269	KIFSJHKLCVEAHE-IRXDYDNUSA-N	423.536	3.927	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(Cl)cc2-n2cccn2)n(C)c2ccccc12	472801216	FPNLWZMOGIQYRZ-UHFFFAOYSA-N	421.888	3.581	10	20	HHCD	
CN1CC[C@@H]2[C@H](CCCN2Cc2cc(Br)cc(Br)c2O)C1	809767532	NLLBSOHJODZRRR-IAQYHMDHSA-N	418.173	3.833	10	20	HHCD	
Cc1cc(Br)c(O)c(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)c1	814171062	JJTHJQYUPJZNHD-UHFFFAOYSA-N	407.283	3.866	10	20	HHCD	
CC[C@@]1(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)OCCc2ccccc21	811868301	TVMXGYWJQXGASJ-DFBJGRDBSA-N	423.557	3.762	10	20	HHCD	
COc1cc2nc(C)sc2cc1NC(=O)NCc1ccc(N2CCOCC2)cc1	726848111	TUFIVGSGOFOBRO-UHFFFAOYSA-N	412.515	3.772	10	20	HHCD	
C[C@@H](O)c1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	727226573	MJYVZMXSXRWYQW-OAHLLOKOSA-N	419.472	3.810	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nnn1-c1ccccc1	728838700	OEBBJMPJOKGNRK-UHFFFAOYSA-N	417.435	3.846	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3c(s2)CCOC3)cc1	728520107	WHFIGXGCKVNVNA-IBGZPJMESA-N	400.544	3.708	10	20	HHCD	
O=C(CN(Cc1ccco1)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	728570755	OGDOPNMTAVPUDW-UHFFFAOYSA-N	423.488	3.578	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)Cc1ccccc1O	732203252	RTTWWHWRMHNQFZ-HNNXBMFYSA-N	414.461	3.627	10	20	HHCD	
CC(C)[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)NC(=O)OC(C)(C)C	734688047	BUIFMRTWDFDTOI-FQEVSTJZSA-N	418.582	3.976	10	20	HHCD	
CSCc1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	731755264	GUQFHBQOFBKJTF-UHFFFAOYSA-N	403.523	3.972	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](c4nnc5n4CCC5)C3)c2C)cc1	730222967	WQJIFCBAGOCVCI-GOSISDBHSA-N	419.529	3.660	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC[C@@H]1c1ncc[nH]1	745902921	BDSSBADDVUGUSA-MAUKXSAKSA-N	419.476	3.917	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1(CC)CC	749613896	DBDWQWWQPYTSGJ-NHCUHLMSSA-N	403.567	3.648	10	20	HHCD	
CCc1cc2c(CN(CCOC)c3ccc(OC)c(OC)c3)cc(=O)oc2cc1O	746474226	GITKWGFTCXDZOT-UHFFFAOYSA-N	413.470	3.731	10	20	HHCD	
COCCOC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1	741063582	PPSQBZGYHZNBRC-UHFFFAOYSA-N	410.474	3.579	10	20	HHCD	
CC(C)OCCN1CCC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	747591790	SSWDOZLSFPIVBX-UHFFFAOYSA-N	415.534	3.586	10	20	HHCD	
CN(CC(=O)NCCCSc1nccs1)c1ccc(C(F)(F)F)cc1C=O	746603213	LGKSJGBVUPBELK-UHFFFAOYSA-N	417.478	3.709	10	20	HHCD	
Cc1cccc(OCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	917998593	LVEQTTMSRIWXNB-ROUUACIJSA-N	415.509	3.626	10	20	HHCD	
CCN1CCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1	916640479	FQURSBIMMBYQRD-KRWDZBQOSA-N	405.489	3.904	10	20	HHCD	
CCN(CC)C(=O)COc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1	915343494	NPLWMBFFNVJILG-UHFFFAOYSA-N	424.545	3.856	10	20	HHCD	
COCCCOc1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	919775084	MHPRQVBPYFJVPE-UHFFFAOYSA-N	413.518	3.602	10	20	HHCD	
CCN(CC)Cc1cccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	918013316	QTCGLJCUZHJLRV-UHFFFAOYSA-N	424.589	3.959	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3O)cc2)c1	748350612	YHECYBRHNXEEJF-UHFFFAOYSA-N	410.495	3.740	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1OCC1CC1	741075472	YOVHJNKBABANEL-UHFFFAOYSA-N	413.493	3.897	10	20	HHCD	
CCCn1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1	742720905	MSHXUSWYNQTTBP-XNTDXEJSSA-N	420.585	3.975	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1NC(C)=O	748860151	VQPPKHPHEVNXRX-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(F)c(C(F)(F)F)c3)CC2)cc1	742589476	ODIYAFPIXBPCJY-UHFFFAOYSA-N	411.399	3.614	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](c1ccc(F)cc1)C(F)(F)F	753266188	DSANDUBKXJVINX-SFHVURJKSA-N	411.399	3.765	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccn(CC(F)(F)F)c2=O)cc1F	757247561	SWYIQGTZCIIURF-UHFFFAOYSA-N	414.403	3.718	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)c(Br)cc1O	921258944	FHAUZDFNBVUATN-MKMNVTDBSA-N	423.313	3.964	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc(Cl)c1OC	920472591	CXMFGWIUVREPCJ-XNTDXEJSSA-N	412.964	3.653	10	20	HHCD	
Cc1cc(C(=O)NCCC(=O)NCc2ccccn2)c(C)n1-c1cccc(Cl)c1	753763231	NHNBZRXGXIJOLD-UHFFFAOYSA-N	410.905	3.579	10	20	HHCD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	753645049	RSNROSQVVZKFET-LBPRGKRZSA-N	400.475	3.954	10	20	HHCD	
Cc1cc(C)c(O)c(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c1	754730694	WCWMRNIVQUVKCW-UHFFFAOYSA-N	403.320	3.730	10	20	HHCD	
COc1cccc(CNS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c1O	751309119	HDCPMOHRZGGWRM-UHFFFAOYSA-N	410.904	3.656	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)cc1	854393568	NNBBEIYQUVKLIO-MRXNPFEDSA-N	418.449	3.853	10	20	HHCD	
C[C@H](N[C@H](C)Cc1cnccn1)c1cc(Br)cc(Br)c1O	756493757	HJYFWSZUGZVUFY-ZJUUUORDSA-N	415.129	3.989	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1	761892396	HVCMSEJMYOOHRI-UHFFFAOYSA-N	418.497	3.833	10	20	HHCD	
C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCCCSc1nccs1	768691330	AAWPEXVNNUAKAH-HUUCEWRRSA-N	401.598	3.629	10	20	HHCD	
Cc1cccc(C)c1OC[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl	765320935	AHHJMRTXIBINNJ-QUCCMNQESA-N	418.965	3.884	10	20	HHCD	
O=C(CN1CCC[C@@H]1c1ccncc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	767572064	SYRVFPUQECVMPB-OAQYLSRUSA-N	411.461	3.633	10	20	HHCD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1C1CC1	763133457	ONOVDEVTWLLTDJ-CQSZACIVSA-N	410.518	3.571	10	20	HHCD	
Cc1sc(Cl)nc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	762844396	XXTBPMRHOCHKEY-UHFFFAOYSA-N	419.856	3.890	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@H]3c3nncn3C)c2C)c1	767767574	CHLPBHUPSHSIOS-FQEVSTJZSA-N	409.559	3.964	10	20	HHCD	
Cc1ccn2ncc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2c1	766850556	MSSAZCISDYQSJZ-HNNXBMFYSA-N	400.429	3.643	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C2CCCCC2)nn1C	764254539	NXAIBNIWOBRARG-UHFFFAOYSA-N	411.550	3.521	10	20	HHCD	
COc1ccc(CN(C)c2ccc(OCCN(C)C)cc2)c(Br)c1O	761219758	CCKADKUBCASEKN-UHFFFAOYSA-N	409.324	3.740	10	20	HHCD	
CC[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	760657470	PCXOBXRHYFCKEL-UMVBOHGHSA-N	405.436	3.970	10	20	HHCD	
Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	765136473	POTXIXSROXKUAD-QGZVFWFLSA-N	402.498	3.780	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(OCc2ccccc2)cc1	773742063	QLUJTNQCCQSWEG-QGZVFWFLSA-N	407.466	3.803	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn1-c1ccccc1Cl	776449529	YTJBYWIYUOBRRS-UHFFFAOYSA-N	424.932	3.943	10	20	HHCD	
CCCCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1	773219809	MWZGRJILKBRTIC-UHFFFAOYSA-N	424.545	3.848	10	20	HHCD	
Cc1cc(C(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)c(C)n1-c1ccc(C(C)C)cc1	779567309	OLLIPPBMYAXAPO-QGZVFWFLSA-N	407.518	3.559	10	20	HHCD	
CC(C)c1ccc(CCNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	774917304	VILUPMLNOHYLEV-UHFFFAOYSA-N	420.509	3.996	10	20	HHCD	
Cn1nc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)cc2F)C1=O	778244934	DXNHGUJOTCUVBC-VZUCSPMQSA-N	416.272	3.867	10	20	HHCD	
CSCCCCCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	775924458	KYPCUUNMPXEYRR-UHFFFAOYSA-N	414.574	3.518	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(C)oc3C)n2)c(F)c1	776302054	FFGZJYMLQWYGSI-UHFFFAOYSA-N	409.464	3.918	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccoc3Br)cc2F)C[C@H](C)O1	770235075	CTCJGPRKZVVMQN-RYUDHWBXSA-N	411.271	3.725	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc2cccnc2s1	773606024	WHVJETFXFJANRV-LBPRGKRZSA-N	404.442	3.692	10	20	HHCD	
CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCN(C(=O)c2ccccc2)CC1	779482372	YEYDBZDIAVEVIO-PKNBQFBNSA-N	408.498	3.654	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1O	775563425	YJBUUPQERSJSHT-IAQYHMDHSA-N	409.364	3.775	10	20	HHCD	
COc1ccc([C@@H](CNCc2ccc(N3CCN(C)CC3)cc2)N2CCCCC2)cc1	771823395	NRVOMTGGTMXJKC-AREMUKBSSA-N	422.617	3.764	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(Cl)cc3F)C(C)C)nc12	782099816	ABEZITBCQDEGMN-SFHVURJKSA-N	420.872	3.891	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC4(CCCCC4)O3)CC2)cc1	790283002	BRKOYFDXLLVXRY-NRFANRHFSA-N	401.551	3.845	10	20	HHCD	
Cc1oc2c(CN3CCO[C@@]4(CCO[C@@H]4C)C3)c(O)ccc2c(=O)c1-c1ccccc1	794668738	RBYIKYXJONDCSO-NSYGIPOTSA-N	421.493	3.854	10	20	HHCD	
CN(C)c1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)NC(=O)OC(C)(C)C)cc1	795226895	JOTOAHKXLNTPTM-QGZVFWFLSA-N	401.467	3.734	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NCc1c(F)cc(F)c(F)c1F	797521076	PJGGMDAGBSLZNZ-UHFFFAOYSA-N	407.161	3.711	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2c(F)cccc2Br)SC1=S	794869997	PFEUUPRKXXATRH-YRNVUSSQSA-N	404.282	3.654	10	20	HHCD	
COc1cc(CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c(O)cc1C	794680869	UPOWJXXWAFRKGI-UHFFFAOYSA-N	406.482	3.528	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCC(=O)c3cnn(C)c3)c2C)cc1	796145337	AIDZAIDEQFQMLF-UHFFFAOYSA-N	407.470	3.525	10	20	HHCD	
C[C@H](NC1CCN(c2nccs2)CC1)c1ccc(N2CCOCC2)cc1Cl	798938612	ZQVYEOSYWYIWLH-HNNXBMFYSA-N	406.983	3.953	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccnc(N4CCC[C@H](C)C4)c3)CC2)cc1	1327666886	XIMLVXLCVHISSL-IBGZPJMESA-N	408.546	3.679	10	20	HHCD	
C/C=C(/C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830739886	FAEYONJVPBXFTH-VGJFLQSWSA-N	420.937	3.951	10	20	HHCD	
O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1c1cccnc1	23724369	QYTSBCFQHJZWCH-RZNTYIFUSA-N	421.297	3.979	10	20	HHCD	
CC(=O)c1ccc(OCCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	145502384	YSKOSDDLGJLJOC-SFHVURJKSA-N	410.514	3.762	10	20	HHCD	
CCc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc(-c2ccncc2)n1	301186063	UTUNWZRTXKWJTP-UHFFFAOYSA-N	407.493	3.813	10	20	HHCD	
Cc1cc(C(=O)N2CCCN(Cc3cscn3)CC2)c(C)n1-c1ccc(C#N)cc1	303209492	QTUOXGKHROMOLK-UHFFFAOYSA-N	419.554	3.770	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCC[S@@](=O)Cc3ccccc3)cc2)CC1	303654727	LJMXWKARXAITOG-GDLZYMKVSA-N	413.587	3.671	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1	547217596	OVMBOKNEZIQXTG-GOSISDBHSA-N	409.442	3.828	10	20	HHCD	
O=C(Nc1cccc2c1OCCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726697413	OVRAINTXXFQSFH-UHFFFAOYSA-N	419.428	3.850	10	20	HHCD	
COc1cccc(CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1O	727763032	ZSHZPEWZZREIBT-UHFFFAOYSA-N	424.457	3.779	10	20	HHCD	
O=C1/C(=C\c2cnn(-c3ccc(F)cc3)c2)SC(=S)N1CCc1cccnc1	728311895	AOHHHZWYNYCHNU-VCHYOVAHSA-N	410.499	3.850	10	20	HHCD	
CC(C)N1CCC[C@H](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	729612447	YUAZHCRSZRMFRN-QGZVFWFLSA-N	424.536	3.676	10	20	HHCD	
C[C@@H](NC(=O)N1CCCO[C@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	729858263	WTAZLTUDXXYFRV-XXBNENTESA-N	409.530	3.757	10	20	HHCD	
CN(c1ccc(CNC(=O)NCCn2c(=O)oc3ccccc32)cc1)C1CCCCC1	730122894	ASBQEKMEQGLDNY-UHFFFAOYSA-N	422.529	3.863	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N2CCC(OC)CC2)CCCC1	730913214	DICGQJXTDZMXOZ-UHFFFAOYSA-N	416.610	3.708	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cccnc3-n3cccn3)cc2)CC1	731049035	XSHKORFFYWYIQY-UHFFFAOYSA-N	404.518	3.503	10	20	HHCD	
Cc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1F	731450355	HQDUEJHNPLWCBI-UHFFFAOYSA-N	409.484	3.680	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@@H]3CCN(C4CCN(C)CC4)C3)c2C)c1	732565559	ZRSOLPUPXFIYAW-HSZRJFAPSA-N	408.590	3.643	10	20	HHCD	
CCOC[C@@H]1CCCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C1	733792990	ZJDJJYLQBVWZEM-SNVBAGLBSA-N	418.244	3.527	10	20	HHCD	
CCc1ccc([C@@H]2COCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)o1	736376804	XIKRRERJSNQURZ-FQEVSTJZSA-N	415.559	3.678	10	20	HHCD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	742689056	CUUNAHSQXDVGAD-LEOXJPRUSA-N	402.579	3.885	10	20	HHCD	
CN(c1ccc(CNC(=O)NC[C@H](O)COc2ccccc2)cc1)C1CCCCC1	743346915	ZYSVFERTYWYEHG-QFIPXVFZSA-N	411.546	3.695	10	20	HHCD	
O=C(NCCOc1cccc(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743534844	BYFYHLGBTLNVRL-INIZCTEOSA-N	423.435	3.774	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cncc(Br)c2)cc1	744239010	WABXQVWNJQCURV-UHFFFAOYSA-N	412.353	3.511	10	20	HHCD	
Cc1ccccc1[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746769223	GCJJLTGBKSCERB-OXJNMPFZSA-N	419.472	3.598	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O	750280264	UAHVGTDAGMDLKZ-HXUWFJFHSA-N	412.921	3.545	10	20	HHCD	
C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc2c(c1)CCCN2C	752656919	AHTTWBMUXLZATN-FUHWJXTLSA-N	416.566	3.514	10	20	HHCD	
COc1ccc(N2CCN(Cc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1F	753857395	LEGLRVAMKGHTSL-UHFFFAOYSA-N	411.521	3.783	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@](=O)[C@H](C)[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	754649311	CXCBLFCKZTWDQO-HBIWAFADSA-N	424.513	3.720	10	20	HHCD	
O=C(O)[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cc1	756353274	ZPHPEINTWTYXFD-GOSISDBHSA-N	412.383	3.597	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c1	756685973	PHWWMFRLHCTKAB-MGPUTAFESA-N	418.921	3.556	10	20	HHCD	
CC(C)Cn1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C(F)F	758719325	BVKUPRRYTIRDAF-HNNXBMFYSA-N	406.477	3.804	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(CN2C(=O)CCCC2=O)cc1	760955367	ZPRAPLRVQZLDNE-UHFFFAOYSA-N	420.513	3.648	10	20	HHCD	
COc1cccc(O)c1CNc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F	763495880	JFJWRAGMQQAHCJ-OAHLLOKOSA-N	401.482	3.965	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCN(c3cccc(Br)c3)C2=O)c1	763729458	GIJHIOZDLNASIP-SJCJKPOMSA-N	405.292	3.619	10	20	HHCD	
C[C@@](O)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1	765232071	ZYUUVRBCNWMQNM-OAQYLSRUSA-N	419.978	3.600	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc(OCC(F)F)n3)CC2)cc1	765320325	DLGVAZLJIVBUNQ-UHFFFAOYSA-N	406.433	3.525	10	20	HHCD	
CCN(CC)c1ccc(CN2CCN(Cc3nc(O)c4ccccc4n3)CC2)cc1F	768228117	IBEOJXBFBJPSHX-UHFFFAOYSA-N	423.536	3.639	10	20	HHCD	
CCOC(=O)c1ccc(N2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)nc1	768264289	KBRZFNCIYAUZJM-UHFFFAOYSA-N	410.301	3.593	10	20	HHCD	
CCOc1ccc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	768912664	QXHLSOZICICUMV-LJQANCHMSA-N	402.922	3.768	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@@]3(C2)OCc2ccccc23)c1O	769775161	CEBSWBTZXJGTQN-VWLOTQADSA-N	401.462	3.960	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](c1ccccc1)n1cccn1	771062987	CUEIWLKKXFJFNY-RBBKRZOGSA-N	424.932	3.612	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3c(C)cccc3SC)CC2)cc1	771287553	RGJBVBUPUBGTOT-UHFFFAOYSA-N	414.575	3.669	10	20	HHCD	
Cc1ccncc1[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	771425294	ZXWTUFYHHNKHDC-OAHLLOKOSA-N	422.451	3.806	10	20	HHCD	
CCCCn1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	772101734	NWVISFNUOVXNLJ-MRXNPFEDSA-N	406.477	3.992	10	20	HHCD	
COc1cccc(CNC(=O)CCCC(=O)c2ccc(Br)cc2)c1O	772408364	RJULSGLENQAAKY-UHFFFAOYSA-N	406.276	3.833	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)C=C2CCSCC2)NC(=O)OC(C)(C)C)cc1	772717744	HDLUFMRLVFTRDO-IBGZPJMESA-N	419.591	3.888	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1ccc(Cl)cc1C(F)(F)F	772777835	YDVCZTJJVCOXKC-QHHAFSJGSA-N	415.751	3.965	10	20	HHCD	
CCC(=O)N1CC[C@@H](C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	773218745	DPQHQQRASYRCNV-MRXNPFEDSA-N	408.458	3.842	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)N2CCCC2)cc1	773617328	DQMZCMLOOZRHDY-WZONZLPQSA-N	410.562	3.959	10	20	HHCD	
Cc1ccc(-n2ccnc2SCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C	773739082	AGMVBRLADYNQRX-INIZCTEOSA-N	411.527	3.740	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	773741165	SQGRREBKYGFYGU-YCRPNKLZSA-N	422.447	3.600	10	20	HHCD	
CCCCN1CCc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc21	773859527	VONCFXYCWMJRPB-QGZVFWFLSA-N	408.546	3.731	10	20	HHCD	
Cc1cccc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1O	776021311	MYXXOGDRDRYZCT-UHFFFAOYSA-N	406.505	3.851	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3c([N+](=O)[O-])ccc4c3CCN4)cc2F)C[C@@H](C)O1	779707342	DUARHWNSXJIJAQ-OKILXGFUSA-N	400.454	3.928	10	20	HHCD	
Cc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(N2CCCC2)n1	781388152	ZIQIFLNWIAEUGP-UHFFFAOYSA-N	407.562	3.930	10	20	HHCD	
O=S(=O)(c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1)N1CCCCC1	783636452	JWKGBXUWYHWGEY-UHFFFAOYSA-N	416.330	3.881	10	20	HHCD	
CCOC(=O)c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784058308	PDJBQEVOZTUZDT-UHFFFAOYSA-N	409.486	3.750	10	20	HHCD	
CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H](Cc1ccc(F)cc1)C(C)C	785439378	NRVWRIKNVHDZPB-QFIPXVFZSA-N	413.537	3.624	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3CCC[C@@H](C)CC3)CC2)cc(OC)c1OC	785957244	KAUUEHFOIXGCGF-IAGOWNOFSA-N	405.539	3.513	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	788088304	KQGMRELXDWZPLC-QGCDCVKKSA-N	410.514	3.521	10	20	HHCD	
CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1	788909751	RSGMTCBCXMVMAQ-OFAXGOBFSA-N	411.546	3.642	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCC2(c3ccc(F)cc3)CCC2)cc1	788953681	CUVUHYCIRHXEIP-UHFFFAOYSA-N	411.521	3.526	10	20	HHCD	
COCCCC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1	792050952	JAUOYVAMVVBBEB-HSZRJFAPSA-N	411.546	3.880	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F	794348509	RKITZBPVSOHSMP-OKEUPSHZSA-N	401.768	3.633	10	20	HHCD	
CCC[C@@]12CCCN1C(=O)N(Cc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)C2=O	794770888	DEVMKMVRQGRBMU-DMPWYTOCSA-N	403.498	3.536	10	20	HHCD	
CC[C@@H](C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O)c1ccc(OC)cc1	798988746	HJNBXCKZQLMBJK-GOSISDBHSA-N	405.878	3.750	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C	802609727	KDGVPYKQUYBTFQ-UHFFFAOYSA-N	403.410	3.515	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2ccccc2C)nn1C	802610331	URSYUZADAQHFHV-UHFFFAOYSA-N	420.513	3.869	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1c[nH]c2cc(Cl)ccc12	803511966	DAFAUEQCSWMGTL-UHFFFAOYSA-N	413.905	3.624	10	20	HHCD	
Cc1ccc(C(C)(C)CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	804690292	QJENOGUMQTWOCE-UHFFFAOYSA-N	420.509	3.916	10	20	HHCD	
COCc1nc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)sc1C(=O)OC	807527691	XLJDBGPWSHADTH-UHFFFAOYSA-N	417.462	3.875	10	20	HHCD	
CC[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(C(F)(F)F)cc1O	810209102	LZGBBQYODSCOLB-SFHVURJKSA-N	408.468	3.799	10	20	HHCD	
COC(=O)c1c(F)ccc(NC(=O)NCc2cccc(Br)c2O)c1F	810335829	ZTHWFROJJFVWEX-UHFFFAOYSA-N	415.190	3.541	10	20	HHCD	
CCCCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OC	915849993	MDZZFPWPUUYCPY-FOWTUZBSSA-N	409.529	3.940	10	20	HHCD	
CC(=O)N1CCc2cc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc21	916673629	BFZQANXAFBNCBO-HXUWFJFHSA-N	409.486	3.514	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(Cn2ccnc2)cc1	919895490	NMBNBWKYAOSNLE-UHFFFAOYSA-N	415.541	3.716	10	20	HHCD	
COc1ccc(C(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1OC	921048753	SRBJODBUYZSHDA-UHFFFAOYSA-N	406.482	3.521	10	20	HHCD	
CC(C)(C)[C@H]1CCC2=S=C(c3nnc(-c4ccc(S(C)(=O)=O)o4)o3)C=C2C1	1117217773	UKEBZJUBBZZLCR-LBPRGKRZSA-N	406.529	3.945	10	20	HHCD	
O=C(NCc1cc(OCC(F)F)ccn1)N(Cc1ccco1)Cc1ccccc1O	1319912039	NKERDYFBTFDZAM-UHFFFAOYSA-N	417.412	3.936	10	20	HHCD	
CC1(C)CCc2nc(O)c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2C1	1334727422	GUANLYATUVZCOH-GOSISDBHSA-N	410.514	3.829	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(N2CCOCC2)cc1	109180727	RLENQRRDAJSIOJ-YJBOKZPZSA-N	400.906	3.605	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)n(C)c2ccccc12	409608763	QLILIQKPGXXBQD-NRFANRHFSA-N	414.509	3.889	10	20	HHCD	
CCn1cc(Br)cc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	110425998	SZJKJFSUCRJXMG-UHFFFAOYSA-N	406.324	3.678	10	20	HHCD	
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cc(F)c(Cl)cc1Cl	195617545	OMHKPLJTPDOSNT-MRVPVSSYSA-N	421.277	3.701	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccccc1CN1CCSCC1	541094001	OYBIFMJTFGGYRE-UHFFFAOYSA-N	412.559	3.732	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21	806846474	PSAPJVGQYLDPSK-WXFUMESZSA-N	403.526	3.777	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1	805147655	LORTZQOCZXSYJC-AWEZNQCLSA-N	418.321	3.802	10	20	HHCD	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C2CC2)o1	807290120	PZAFVXBOWQHYHJ-JTSKRJEESA-N	419.525	3.587	10	20	HHCD	
C[C@H](CO)N(Cc1cc(Br)cc(Br)c1O)CC1CCC1	809664287	CLYHDYSVDWEGQG-SNVBAGLBSA-N	407.146	3.900	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	807511239	ILOGTMXYUIXNFY-UHFFFAOYSA-N	418.620	3.516	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nc([C@@H](C)OC)ns1	809929563	UQXGQLNTJGOAGR-SECBINFHSA-N	415.313	3.768	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1	813481005	RQTNMSSFMBRZBQ-GOSISDBHSA-N	402.413	3.540	10	20	HHCD	
COCC1(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CCOCC1	817226134	CELCTXKQQAGWBY-UHFFFAOYSA-N	421.335	3.782	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1c1ncnc2ccccc12	813685455	ZZKKTPFKYMRANM-QGZVFWFLSA-N	417.296	3.927	10	20	HHCD	
CCCC(=O)N1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726631023	XBMBFQTYGLHRQY-LJQANCHMSA-N	423.504	3.554	10	20	HHCD	
CCC1(C)CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	725806423	YGVHRFIPPNVRHC-QZTJIDSGSA-N	405.558	3.568	10	20	HHCD	
C[C@H](NC(=O)N1CCCO[C@@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	729858260	WTAZLTUDXXYFRV-WMZHIEFXSA-N	409.530	3.757	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c2c(c1)C[C@H](C)O2	727864879	YSEBYHJYFYTSIY-FHNWIRHTSA-N	412.536	3.858	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)c1	729536317	YXJBUJPKXRDEME-ZDUSSCGKSA-N	400.866	3.743	10	20	HHCD	
Cc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1	905909478	NSFAFUUMBHZWGY-UHFFFAOYSA-N	406.438	3.608	10	20	HHCD	
CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	733134073	SHSQYAFTUITIIU-UHFFFAOYSA-N	413.493	3.577	10	20	HHCD	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1	735682503	VSIUSHVLOQEJOO-ICSRJNTNSA-N	405.608	3.880	10	20	HHCD	
CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	734228736	WQJIHPLSRYPUAF-OXJNMPFZSA-N	421.501	3.804	10	20	HHCD	
O=C(COc1ccccc1C(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517404	AHTHZGTVABDYTR-INIZCTEOSA-N	409.404	3.998	10	20	HHCD	
Cc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)cc1[N+](=O)[O-]	747210125	FVLUDPLSXMRFAN-OAHLLOKOSA-N	402.882	3.870	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN(C)Cc3cccc4ccccc34)CC2)cc1	917061762	CDEOVTJEESMDIO-UHFFFAOYSA-N	403.526	3.629	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N2CCNC2=O)ccc1Cl	742049889	GWEHPDHQEXFWEO-UHFFFAOYSA-N	414.937	3.986	10	20	HHCD	
O=C(Nc1ccc(F)cc1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O	918293985	LHMMVALAEUYJRY-UHFFFAOYSA-N	402.809	3.945	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@](C)(O)[C@H](C)c3ccccc3)cc2F)C[C@@H](C)O1	747361402	OUJTVDDPDYJXIG-NDBKNAECSA-N	414.521	3.610	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2NC1=O	745933143	TVPSXFQIRUGTAS-YWZLYKJASA-N	410.518	3.765	10	20	HHCD	
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)CCCN4C)C2)c1	746813084	QDEMLUGTURDTPB-QFIPXVFZSA-N	419.569	3.854	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)n1	743552467	ODEGGUJJLHXIHF-INIZCTEOSA-N	421.501	3.906	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC[C@@H](C)N(C)Cc3ccccc3)CC2)cc1	746763028	ZSUWDYFMPREOFV-HXUWFJFHSA-N	424.589	3.874	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1-n1cncn1	742431496	KWXLMZRBDFVKHR-CAOOACKPSA-N	422.491	3.680	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1	742391481	JTUMNWVZXBKHRT-DVECYGJZSA-N	417.557	3.730	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccccc3CC(F)(F)F)CC2)cc1	742263021	OZHVSXKZLIIAJH-UHFFFAOYSA-N	407.436	3.561	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3cn(C)c4ccccc34)cc2F)C[C@@H](C)O1	743829887	IOMOVGKNFIENMJ-IAGOWNOFSA-N	409.505	3.790	10	20	HHCD	
COc1ccc([C@@H]2CCCN2C(=O)CN(C)c2ccc(OC)c(OC)c2)cc1OC	920418616	UKTSLGVFDSPLOA-SFHVURJKSA-N	414.502	3.521	10	20	HHCD	
COc1cc(CN2CC[C@H](N[C@@H]3C[C@@H](C)c4c(F)ccc(O)c43)C2)cc(OC)c1	756648707	XZSKBLZJHQZTNF-PTSWNOGYSA-N	400.494	3.961	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CO[C@@H]2CCOC2)c(C)n1-c1cccc(Br)c1	753787222	QVMKTVRDSTYTMM-FZKQIMNGSA-N	421.335	3.780	10	20	HHCD	
COc1ccc([C@H](CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)N2CCOCC2)cc1	756352086	QAJZOGAGGMJXGN-YSGRDPCXSA-N	400.494	3.751	10	20	HHCD	
C[C@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(Br)cc1O	756366125	FGGOKXRUCZZKPK-HNAYVOBHSA-N	405.336	3.879	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](c3ncccc3C)C(C)C)CC2)cc1F	753920299	VFRNTOVVSQHXNH-HXUWFJFHSA-N	400.498	3.767	10	20	HHCD	
CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc(C)n(-c3ccccc3C)c2C)cn1	754450597	SMRKPSBTUIXDND-RCRUUEGKSA-N	424.570	3.565	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cnn(-c2ccccc2F)c1	755837381	OFYJOHCLTDFCIT-UHFFFAOYSA-N	409.465	3.512	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC(=O)Nc2cc(Cl)ccc2OC)c1	756639238	ZGDLHPCCGFPZAF-LBPRGKRZSA-N	406.866	3.520	10	20	HHCD	
CCc1noc2ncc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)cc12	762578800	MHCAXXWFUPJMKX-UHFFFAOYSA-N	404.448	3.849	10	20	HHCD	
CC(=O)c1cc(CN(C)Cc2ccc(Cl)c(F)c2)c(O)c(CN2CCOCC2)c1	762501366	GFBLOWAPJMVSJU-UHFFFAOYSA-N	420.912	3.852	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)c(F)c1	765371981	PLJZNSUBIBJYRG-GOSISDBHSA-N	411.521	3.749	10	20	HHCD	
COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1cccc(Br)c1O	769386680	DVPYUEOALYQGOS-UHFFFAOYSA-N	414.246	3.998	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1cccc(Br)c1O	764805224	JJIKDKVNRJQAIT-GTNSWQLSSA-N	411.271	3.869	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(Nc3ccc4nnc(C(F)F)n4n3)CC2)cc1	768524872	POBILXDNDYTVBS-UHFFFAOYSA-N	410.375	3.744	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)cc(OC)c1OC	760123631	KQPYHFLKQLEDCG-KZNAEPCWSA-N	417.550	3.513	10	20	HHCD	
COc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC(C)C	772129825	WFOZMJLCCZBZHD-UHFFFAOYSA-N	404.850	3.810	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1nn(-c2ccccc2F)cc1Br	1115861990	QIMWFBDOLSHODD-UHFFFAOYSA-N	404.239	3.752	10	20	HHCD	
C[C@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(N2CCOCC2)cc1	775257029	DMMYKJMFVJBFOI-JKSUJKDBSA-N	423.473	3.893	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(N(C)C)cc1	773845453	GRFLKCLLFWYRIF-OAHLLOKOSA-N	424.526	3.604	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1cc(Br)cs1)c1ccc(N(C)C)cc1	775836962	PTBSYIGFEJNELQ-CYBMUJFWSA-N	410.381	3.886	10	20	HHCD	
Cc1cc(C(=O)CN2CCn3ncnc3C2)c(C)n1-c1ccc(Cl)c(Cl)c1	770686761	TYFMBKYCZXATPF-UHFFFAOYSA-N	404.301	3.691	10	20	HHCD	
COC(=O)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1	779547927	YDCVYBQRHYVQQC-YHTRPRNISA-N	409.360	3.550	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](c2cccc(Cl)c2)N2CCCC2)c1O	774965062	WGWMWJNXWNLJSI-GOSISDBHSA-N	405.882	3.889	10	20	HHCD	
CCC[C@](C)(NCc1cc(Br)cc(Br)c1O)C(=O)OC	779431942	UZUDESRSHBOTOR-AWEZNQCLSA-N	409.118	3.739	10	20	HHCD	
NS(=O)(=O)c1ccc(CCN[C@@H](CCc2ccccc2)c2ccccc2O)cc1	776264339	HNQZLVGZIIXLTG-QFIPXVFZSA-N	410.539	3.546	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1O	779039842	SAXSRZLDEOPRIR-MFKMUULPSA-N	409.246	3.667	10	20	HHCD	
COc1ccc(N[C@H](C)c2cc(Br)cc(C)c2O)cc1-n1cnnn1	779049622	QSFAWMRDBFQSLN-LLVKDONJSA-N	404.268	3.621	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cn(C)cc(Br)c2=O)cc1	779454993	DVYKZRAITKTIOG-UHFFFAOYSA-N	400.276	3.808	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnc(O)c3ccccc23)cc1	786849708	IUWRTDZQNYBXPV-LJQANCHMSA-N	405.498	3.828	10	20	HHCD	
COC(=O)c1scc(C)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1	785493923	AVVVORFJMDBMPH-UHFFFAOYSA-N	409.529	3.682	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2OCC2CCC2)cc1	786270274	VBNGYYUZKQXGLE-UHFFFAOYSA-N	415.921	3.840	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCc3cccc(N(C)C)c3)cc2F)C[C@@H](C)O1	788645811	BUMRLZJABJPYTM-QZTJIDSGSA-N	413.537	3.754	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc(-c2ccccc2)cs1	791376659	XHMVLCYYPIPSLX-UHFFFAOYSA-N	411.502	3.840	10	20	HHCD	
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F	794589015	HFAUYWCXCGBVDN-UHFFFAOYSA-N	419.471	3.621	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cn1	790102138	YOVXMNBUAYSQGS-LFIBNONCSA-N	403.504	3.709	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cccc(N3CCNC3=O)c2)cc1)C1CCCCC1	1324502811	RDIJFAZSLCQYFS-UHFFFAOYSA-N	406.530	3.915	10	20	HHCD	
COC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)cn1	1321521200	FIQVQPOJYCWRAV-UHFFFAOYSA-N	424.428	3.763	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1nc2ccccc2s1	1254263990	BIPVMDOTXPOKMI-UHFFFAOYSA-N	418.902	3.790	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(OCC(F)(F)F)c3)CC2)cc1	1253853040	KEYCWAMLRACCLQ-UHFFFAOYSA-N	408.420	3.989	10	20	HHCD	
CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1	1787705333	IYXIGENUSOXSON-WUXMJOGZSA-N	424.497	3.997	10	20	HHCD	
Cc1ccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1	12265870	XGFOLZMLBNPFFG-UHFFFAOYSA-N	400.390	3.609	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C\c2cnn(Cc3ccccc3)c2)SC1=S	8199196	BRYZVWFLELKACB-GZTJUZNOSA-N	415.540	3.778	10	20	HHCD	
Cc1occc1C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	17276221	HVDRQMCRMWZUJQ-CYBMUJFWSA-N	403.390	3.547	10	20	HHCD	
O=C(NCc1ccccc1)NC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC1	28333028	KKYPQNNERFJIPT-UHFFFAOYSA-N	420.557	3.715	10	20	HHCD	
CCN(CCNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1C	71936452	RYJUNOOBUVCYPH-UHFFFAOYSA-N	412.603	3.874	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)NCCc1nc2ccccc2s1	96970898	ADTIRPDSXLVSJG-UHFFFAOYSA-N	421.522	3.956	10	20	HHCD	
COc1ccc(CN(CCO)C(=O)c2ccc(-n3c(C)ccc3C)cc2)c(OC)c1	97570276	RBXPGWKVIKGGTN-UHFFFAOYSA-N	408.498	3.746	10	20	HHCD	
Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1[N+](=O)[O-]	98078888	NGMWWJAXDGPLPH-UHFFFAOYSA-N	411.370	3.953	10	20	HHCD	
CC(C)CC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	110562976	NZMCIEVHEOUKIU-DVECYGJZSA-N	423.557	3.604	10	20	HHCD	
C[C@H](NC(=O)NCCCN(C)c1ccccc1F)c1ccc(N2CCOCC2)cc1	140925210	FGWDBSLVHAJQTB-SFHVURJKSA-N	414.525	3.549	10	20	HHCD	
C[C@@H](OC(=O)/C=C\c1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	206747156	YUJNCOSWQLXVOM-RBJHHQRMSA-N	415.401	3.639	10	20	HHCD	
Cc1cc(=O)n2nc(CN(Cc3ccccc3O)[C@H](C)c3ccccc3)sc2n1	216486339	OZMMGXHYLLBDDY-MRXNPFEDSA-N	406.511	3.928	10	20	HHCD	
Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	472798999	YJKQGHOQUMKMCS-UHFFFAOYSA-N	404.514	3.650	10	20	HHCD	
CCc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)nnn1-c1cccc(Cl)c1	475968949	ZKEMVGGIGHYHCX-UHFFFAOYSA-N	411.893	3.588	10	20	HHCD	
COc1ccc(C(=O)CCCC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726561538	CRUHCFFINIXCQQ-UHFFFAOYSA-N	410.514	3.842	10	20	HHCD	
O=C(NCCOc1ccccc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726608947	GLYCLVDRZIQXDE-UHFFFAOYSA-N	423.435	3.774	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3ccccc3Cl)cc2F)CC1	730193367	HSUVXPGTMNMOSL-UHFFFAOYSA-N	403.929	3.870	10	20	HHCD	
CCNC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731048997	VRPSXVFFSIJAQX-UHFFFAOYSA-N	408.546	3.672	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C(=O)Nc2ccccc2)cc1	732114346	DKFZDPUBOGADRH-UHFFFAOYSA-N	403.482	3.933	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCc1cc(Cl)c2c(c1)OCCO2	734516442	INGCUFPZPGUZGH-UHFFFAOYSA-N	403.910	3.528	10	20	HHCD	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	734660238	NGRMQBHSQPIYNW-YLJYHZDGSA-N	411.521	3.874	10	20	HHCD	
O=C(c1ccc(-n2ccnc2S)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517952	PABXRPNMKRNKHA-IBGZPJMESA-N	409.511	3.688	10	20	HHCD	
COc1ccccc1[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	738460069	MFCCQUCCLLCNBU-IBGZPJMESA-N	411.571	3.948	10	20	HHCD	
CC1(C)[C@@H]2CN(C(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)C[C@H]21	741978309	DDDKDAOTYRKWME-OFGWCQOXSA-N	406.598	3.844	10	20	HHCD	
C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)Cc1ccsc1	743272502	HWYYUFJWACSADJ-CQSZACIVSA-N	404.491	3.983	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743503298	SRBDSTQDLXMUSI-MRXNPFEDSA-N	405.445	3.765	10	20	HHCD	
COc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cc(OC)c1OC(F)F	743718154	JMESAZDKDUPDIU-UHFFFAOYSA-N	407.413	3.820	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Cl)c2ncccc12	743956318	QHFQATMDJZLYFN-UHFFFAOYSA-N	409.873	3.728	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1	744069217	MKSPLJSQRICYBH-QFIPXVFZSA-N	405.473	3.764	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)ccc21	746753361	BDWGRVNMTGHPLH-UHFFFAOYSA-N	416.566	3.610	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2NC(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1	746764165	PEUBLBBSQGLLFK-IAGOWNOFSA-N	414.525	3.823	10	20	HHCD	
CS(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCC3)c2)ccc1Br	749123555	BQHKCYGFARREAN-UHFFFAOYSA-N	423.332	3.705	10	20	HHCD	
Cc1cc(C(=O)CN2CCN([C@@H](C)C(F)(F)F)CC2)c(C)n1-c1cccc(F)c1	749847337	LNQVNWIHHVWXCD-INIZCTEOSA-N	411.443	3.984	10	20	HHCD	
CN1CCN(Cc2cccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c2)CC1	752089240	SOGRLBURXWCPDA-UHFFFAOYSA-N	419.525	3.575	10	20	HHCD	
C[C@@H](N[C@@H]1CCc2n[nH]cc2C1)c1cc(Br)cc(Br)c1O	756760317	NPTIPDOUFGDXEN-LDYMZIIASA-N	415.129	3.848	10	20	HHCD	
COc1ccnc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1	762222527	MDXNJCSLOFWBHZ-KAMYIIQDSA-N	419.553	3.772	10	20	HHCD	
CC(C)(C)C(=O)N1CCC(COC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1	762958718	HPEWPAMSKZYFOS-UHFFFAOYSA-N	415.559	3.758	10	20	HHCD	
C[C@@H]1CN(C(C)(C)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C[C@@H](C)O1	764746025	WJEHNIQCEGFDGI-KZNAEPCWSA-N	410.002	3.715	10	20	HHCD	
C[C@@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccc(N2CCCCCC2)cc1	765279287	LIYBLBOAQPXXPY-HXUWFJFHSA-N	415.603	3.837	10	20	HHCD	
COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1cc(F)cc(C(C)=O)c1O	766974946	JJYDPWGTOVBFRS-KRWDZBQOSA-N	424.266	3.843	10	20	HHCD	
C[C@H](NC(=O)c1ccc(F)cc1I)c1ccc(N(C)C)cc1	772998808	KNLBFRQCJCFIJR-NSHDSACASA-N	412.246	3.987	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cc([N+](=O)[O-])ccc1O	774509399	PONUHMGGHSHMRF-BDJLRTHQSA-N	420.263	3.519	10	20	HHCD	
Cc1ccc(S(=O)(=O)CCCOC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	774918151	FAQAKXRZRZQOTG-UHFFFAOYSA-N	412.511	3.818	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(CCCOc2ccccc2)C2CCOCC2)c1O	775068208	HYHNZVWJXNPIKH-UHFFFAOYSA-N	416.474	3.759	10	20	HHCD	
CC[C@H](NCc1cccc(OCC(=O)OC)c1)c1cc(Br)ccc1O	775523684	LITUHKWEOFVSGW-KRWDZBQOSA-N	408.292	3.947	10	20	HHCD	
COc1ccc(C(=O)C2CCN(Cc3ccc(N4CCN(C)CC4)cc3)CC2)cc1	775646391	XUGKYPRPEVCMNR-UHFFFAOYSA-N	407.558	3.542	10	20	HHCD	
CC[C@H](C)n1nc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1C	776025608	CWWWMRRHMMACDQ-INIZCTEOSA-N	416.545	3.765	10	20	HHCD	
COC[C@H](NCc1cc(Br)cc(Br)c1O)c1ccco1	776229734	BZHLGADVMDVNGD-LBPRGKRZSA-N	405.086	3.988	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](n3cncn3)C2)c(C)n1-c1ccc(F)c(Cl)c1	776876143	DSJDMXZKPQPYMB-INIZCTEOSA-N	401.873	3.608	10	20	HHCD	
Cc1cc(C(=O)CN(C)CC2(O)CCOCC2)c(C)n1-c1ccc(F)c(Cl)c1	781966173	IUQBAHLEEHADNC-UHFFFAOYSA-N	408.901	3.543	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CCCN3c3ccccc3)cc2F)C[C@@H](C)O1	782677111	QYWXABHHVBSVPW-IEGUWTFLSA-N	411.521	3.725	10	20	HHCD	
O=C(Nc1cnn(-c2ccccc2)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1	782895851	GFPNVISPBDCCRG-UHFFFAOYSA-N	418.497	3.878	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782896092	MELXBXDXTAXBHU-UHFFFAOYSA-N	411.458	3.909	10	20	HHCD	
COC(=O)COc1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	783565322	FKFGSPXLIXLCPR-UHFFFAOYSA-N	420.456	3.598	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)ccc21	786621596	UNQGBTLIRVYKCB-TVFCKZIOSA-N	415.367	3.756	10	20	HHCD	
CCOc1ccccc1[C@](N)(C(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F	787992488	NPHMTHPERVPKLI-NRFANRHFSA-N	421.463	3.718	10	20	HHCD	
Cc1cc(C)c([C@@H](C)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(O)c1	788801052	XYBOCNUQOANLNI-QUCCMNQESA-N	414.521	3.516	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc2ccccc2oc1=O	791248727	RNJMQRHFSOOEFR-UHFFFAOYSA-N	422.481	3.795	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)c1	796824996	YCIOSNLGLJNHHN-UHFFFAOYSA-N	414.845	3.878	10	20	HHCD	
COc1ccc(C2=NO[C@@H](CNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2)cc1	802363807	ORRWUTJRBSIIJZ-JOCHJYFZSA-N	422.529	3.628	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1	807543786	RVRWDDMFWCHRDR-YADHBBJMSA-N	407.558	3.944	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807840252	VSDAGKFSALIXHH-QGZVFWFLSA-N	407.269	3.664	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCOC[C@H](C2CCC2)C1	813623261	XBZLDPKXZNDIEY-QGZVFWFLSA-N	423.504	3.715	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1	838642997	WVBYJPZCFLFDNH-RTBURBONSA-N	404.599	3.562	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(O)nc2ccccc12	857472082	GJEWUSUMEAMNDN-MRXNPFEDSA-N	411.889	3.694	10	20	HHCD	
COc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915779527	DPZSOQWRTIDKMB-FQEVSTJZSA-N	418.453	3.899	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)nc3)cc2F)C[C@H](C)O1	917710433	MCZXXHRCHYYCPC-STQMWFEESA-N	411.399	3.783	10	20	HHCD	
Cc1ncsc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	919164619	LMWWFLBASMOBJW-UHFFFAOYSA-N	412.467	3.670	10	20	HHCD	
Cc1nc2ccc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)cc2o1	1116733585	KTHMKLCFTHSLAM-UHFFFAOYSA-N	415.452	3.789	10	20	HHCD	
O[C@@H](CNCc1ccc(N2CCCC2)cc1)COc1ccccc1Br	1319749351	IBIIEFXNRGEGCI-SFHVURJKSA-N	405.336	3.579	10	20	HHCD	
CCCOC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	6073046	NYJYDYUPWKPIQD-XYOKQWHBSA-N	400.319	3.604	10	20	HHCD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	24192650	AAOJPYMYXUGPNU-QGZVFWFLSA-N	402.922	3.911	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cn4ccnc4)cc3)cc2F)C[C@@H](C)O1	108458389	YLNSZFSJEHDYDH-HDICACEKSA-N	422.504	3.614	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)cc1	301169804	JPTWPVZUMXFYJB-UHFFFAOYSA-N	424.501	3.920	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)NCc3c(C)c4ccccc4n3C)c2)CC1	468004561	MNJSKZQYELORHS-UHFFFAOYSA-N	405.546	3.950	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC1(c3ccccc3)CC1)c2[N+](=O)[O-]	726515819	CQLJYQVIDXFEAH-UHFFFAOYSA-N	412.401	3.789	10	20	HHCD	
COc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1-n1nnnc1C	726547301	BJVBJVCXIVFQGX-UHFFFAOYSA-N	416.485	3.948	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)c(F)c1	726603183	DQGCTHNGROYIBL-UHFFFAOYSA-N	418.412	3.514	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(OCc3ccccn3)cc2)c1	728947152	OHLKZDRZAALGBR-INIZCTEOSA-N	407.470	3.935	10	20	HHCD	
CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	729051545	VPGWIOGLFTZTLA-UHFFFAOYSA-N	403.473	3.922	10	20	HHCD	
CCOCCN(CC)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	730755145	PQDYODACNJBAKT-SQFISAMPSA-N	412.602	3.615	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)CC1	731014833	LSKFVUFZMMESOQ-LJQANCHMSA-N	409.505	3.731	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCN3C(=O)[C@@H](C)Oc4ccccc43)cc2)CC1	731015820	IAIGJIOGNWTZEV-LJQANCHMSA-N	421.541	3.743	10	20	HHCD	
COc1cc(OC)c(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(OC)c1	733335028	ZNVRWOIQPXISQM-KRWDZBQOSA-N	420.937	3.826	10	20	HHCD	
O=C(Nc1ccsc1C(=O)NCCCSc1nccs1)c1ccncc1	733973857	CMFFDNPLOXJVAL-UHFFFAOYSA-N	404.542	3.764	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(OC4CCOCC4)cc3)CC2)cc1	741908353	ZBNJTJRDRHJHQF-UHFFFAOYSA-N	410.514	3.606	10	20	HHCD	
Cc1ncsc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742754551	PUBCOKZUZRBRRZ-INIZCTEOSA-N	404.536	3.513	10	20	HHCD	
O=C(Nc1nnc(C2CC2)s1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743069845	AQYJGPNBQMMZTA-LBPRGKRZSA-N	409.462	3.807	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc(C(=O)OC)cc(OC)c1OC	743192552	CFUXDHQGQSDEHX-UHFFFAOYSA-N	402.447	3.640	10	20	HHCD	
Cc1cc(C)cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743975382	PVYACERJZNOQMN-INIZCTEOSA-N	417.456	3.629	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2	745798752	ASFOFIKSRHRJKN-RTBURBONSA-N	423.504	3.904	10	20	HHCD	
CCOc1ccc(O)c([C@H]2NC3(CCCC3)C(=O)N2c2ccc(OC)c(OC)c2)c1	747439548	DHRRZLXQGAWCPJ-NRFANRHFSA-N	412.486	3.756	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2CC[C@](C)(O)C2)sc(C)c1-c1ccccc1	748833994	WVVXLFCDSFYCAB-QFIPXVFZSA-N	416.543	3.686	10	20	HHCD	
Cc1cc(Cl)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-]	752235812	VGHOYUZHBGSOKC-UHFFFAOYSA-N	409.895	3.635	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(Br)ccc3F)CC2)cc1F	753739653	UTFSIRAQCZHFES-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)c3nc(N)c4c(C)c(C)sc4n3)CC2)cc1F	753858067	RYNRBEZYBJFYLG-CYBMUJFWSA-N	415.538	3.921	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(CCCO)[C@@H]3CCc4ccccc43)CC2)cc1	754367092	POVJJTYOSVCSPB-XMMPIXPASA-N	423.557	3.746	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1	756378882	JOKQUKONAPSDAG-FOIQADDNSA-N	418.921	3.556	10	20	HHCD	
CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)[C@H](c1ccc(C)cc1)n1cncn1	756769072	JFGYHQRYMGUFDP-BUVFEPMLSA-N	408.502	3.798	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	758963885	KXVRTXYEARNMCC-SFHVURJKSA-N	411.546	3.851	10	20	HHCD	
COC(=O)c1cn([C@@H]2CCN(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C2)nn1	760543077	XFYMZGPPNTWCQR-QGZVFWFLSA-N	414.550	3.812	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CC[C@H](C(F)(F)F)C1	761043114	UTPNCFMSXJMYDS-STQMWFEESA-N	416.399	3.673	10	20	HHCD	
CN(Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	762553067	LUEIVIRBAOWMEX-UHFFFAOYSA-N	409.864	3.796	10	20	HHCD	
CC(=O)OCCc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	764703593	VCPUBUISSGUOPM-OAQYLSRUSA-N	412.486	3.711	10	20	HHCD	
COc1cc(CNC(=O)NCc2cccc(Br)c2O)ccc1OC(C)C	764759903	DVSUGNVZGHEMTP-UHFFFAOYSA-N	423.307	3.950	10	20	HHCD	
COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1cc(C)n(-c2ccccn2)c1C	765284289	LPHFQSHLJIFCDF-HXUWFJFHSA-N	405.498	3.783	10	20	HHCD	
CC(C)[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)NC(=O)OC(C)(C)C	766028024	RZTUOZMHVWUBHG-APWZRJJASA-N	409.546	3.862	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)cc1	766135607	IFDBHZGPXXIXBA-UHFFFAOYSA-N	412.534	3.883	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)cc1	766629374	AURCRIQNKVAWDZ-UHFFFAOYSA-N	410.514	3.973	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC=C(c2ccc3c(c2)OCCO3)CC1	770775142	WGKNKPDKUXSNMF-UHFFFAOYSA-N	417.509	3.833	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1	771420389	GYKULNPOOGVNFW-UHFFFAOYSA-N	407.514	3.831	10	20	HHCD	
C[C@@H](CC1CCCCC1)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	772463980	YEDLVGAJJUHATG-PXNSSMCTSA-N	400.567	3.546	10	20	HHCD	
C[C@@H](CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)CN1CCOCC1	772697964	RMIQAJZNEPDTHY-SFHVURJKSA-N	409.534	3.866	10	20	HHCD	
COc1ccc([C@H](CNCc2ccc([N+](=O)[O-])c(OC)c2O)N2CCCCC2)cc1	774942307	KKTWMAUEELJPJE-FQEVSTJZSA-N	415.490	3.634	10	20	HHCD	
CC[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)ccc1O	775555981	TZOKXPFNUXXQIE-WOJBJXKFSA-N	402.922	3.556	10	20	HHCD	
Cc1cc(Br)cc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c1O	775658000	KMDXLIPUAZJAGZ-UHFFFAOYSA-N	409.368	3.934	10	20	HHCD	
C[C@H](NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccc(N(C)C)cc1	775669377	DFMXVODXRVBTFW-INIZCTEOSA-N	408.477	3.984	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1	776039933	YSZCDXZUCWVNMT-OAQYLSRUSA-N	421.607	3.564	10	20	HHCD	
CN(c1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[nH]2)cc1)C1CCCCC1	776121723	LRNYYTCOZZESIY-UHFFFAOYSA-N	410.444	3.592	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)c(C)n1-c1cccc(Cl)c1	779184416	IEEZXNJHOCFEIB-IBGZPJMESA-N	406.877	3.780	10	20	HHCD	
Cc1ccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Br	782319362	GUWBKRDZSJAQHX-UHFFFAOYSA-N	421.310	3.592	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Cc3cccc(N4CCCC4=O)c3)cc2)CC1	785069002	HGWUSQWFYNMICN-UHFFFAOYSA-N	405.542	3.909	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)c(OC)c1	785544138	RBSHUJIDDHMNHJ-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1c(F)ccc(O)c1O	789962848	AKBVLVPSYGTPIQ-UHFFFAOYSA-N	413.367	3.734	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1	790773508	YURMTISWYUNOOW-AUUYWEPGSA-N	407.297	3.877	10	20	HHCD	
Cc1nc2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2n1C	793347802	RTVAQHMHJVUQHI-UHFFFAOYSA-N	414.456	3.882	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1	793608618	JAUVUPWGGZFYPX-DHIUTWEWSA-N	423.557	3.526	10	20	HHCD	
Cc1cc(C(=O)N(CCO)CC(F)F)c(C)n1-c1cccc(Br)c1	794058063	VQOFRTRIGYFWSW-UHFFFAOYSA-N	401.251	3.556	10	20	HHCD	
CCN(CC)c1ccc(CNc2cc(S(=O)(=O)NC3CC3)ccc2OC)cc1	796409200	UMEYXPGTFIZSGH-UHFFFAOYSA-N	403.548	3.594	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@@H]2CCN3CCC[C@H]3C2)NC(=O)OC(C)(C)C)cc1	798269923	FNXHSRGNWVRCIQ-GIVPXCGWSA-N	402.583	3.535	10	20	HHCD	
COCC[C@]1(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCOC1	800720890	HWWLOIQCNGHKCX-IERDGZPVSA-N	409.958	3.571	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](OCCOC)C1	802019738	UJHMDDUGZDAHPI-HXUWFJFHSA-N	409.534	3.614	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3c(F)cc([N+](=O)[O-])cc3F)cs2)cc1	803428779	NXMMBPWZVYWKKM-UHFFFAOYSA-N	405.382	3.860	10	20	HHCD	
CC[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1cc(Cl)cc(Cl)c1O	806161621	LIKQVYHDLRBQBO-KRWDZBQOSA-N	418.342	3.706	10	20	HHCD	
CC[C@@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1cc(Cl)cc(Cl)c1O	806165784	LCVBQXBNDUCUTC-KRWWSPQJSA-N	414.377	3.823	10	20	HHCD	
COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C	807098915	GALMZISAOQQDAQ-OAQYLSRUSA-N	411.546	3.589	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@]4(CCN(C)C4)C3)cc2Cl)C1	813744708	SROPUQHUYMGSTG-VGSWGCGISA-N	404.986	3.814	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(N3CCOCC3)cc2)CC12CCC2	813786614	QDHAADYQRPUSDW-FQEVSTJZSA-N	415.578	3.935	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1O	814171379	MNHSYZZICRZWEZ-HNNXBMFYSA-N	421.494	3.721	10	20	HHCD	
Cc1cc(C)c(N2C[C@H](C(=O)NCc3ccc(N4CCCC4)cc3)CC2=O)c(C)c1	915081369	VOWDRVQOGTXSES-OAQYLSRUSA-N	405.542	3.881	10	20	HHCD	
CN(CCOc1ccc(F)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1	916626315	XMDPDCBIWGPLID-UHFFFAOYSA-N	403.523	3.599	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN(C)C3CCCCCC3)cc2F)C[C@@H](C)O1	916994833	CXDCXRYHFMSPBM-HDICACEKSA-N	405.558	3.710	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc4c(c3)CCC4)cc2F)C[C@@H](C)O1	917707982	ASXLLZSFEWEZEE-CALCHBBNSA-N	412.505	3.623	10	20	HHCD	
C[C@H](Cc1ccccc1Cl)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	918215415	GLBMJNRUHXUBJQ-OAHLLOKOSA-N	405.901	3.746	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CSCc3cn4cc(C)ccc4n3)CC2)cc1	918702821	WMRODTXASJQZJM-UHFFFAOYSA-N	424.570	3.623	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CS(=O)(=O)C(C)C)c(C)n1-c1ccc(C(C)C)cc1	919602532	CLLLIVXWYZWUNJ-UHFFFAOYSA-N	419.543	3.767	10	20	HHCD	
CC[C@@H](NCCN1C(=O)COc2ccccc21)c1cc(Br)ccc1O	1338309752	CECDQKCSHLNEEK-OAHLLOKOSA-N	405.292	3.621	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@H]2C2CC2)C3)cc1	1845397763	PUZRJOQSYYLWSZ-XZOQPEGZSA-N	417.553	3.957	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4cccs4)n[nH]3)cc2F)C[C@H](C)O1	108451921	WRAYCMZIHTXOSJ-KBPBESRZSA-N	414.506	3.821	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)oc1C	144072376	ROQVSNDLZVVJRH-UHFFFAOYSA-N	406.486	3.622	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(N2CCCCC2)c1	144081630	KDDUOBAWSZGWFJ-UHFFFAOYSA-N	408.546	3.730	10	20	HHCD	
Cc1cc(C(=O)NCCCC(=O)NC2CC2)c(C)n1-c1ccc(Br)cc1	195592196	JWKQWGSBNSGWPE-UHFFFAOYSA-N	418.335	3.645	10	20	HHCD	
CCc1nc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c2ccsc2n1	302160875	PEGXUKCQJZBJTM-UHFFFAOYSA-N	414.531	3.606	10	20	HHCD	
C[C@H](c1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1)N1CCOCC1	542024232	OIXNGSHDFAFELD-QGZVFWFLSA-N	410.518	3.577	10	20	HHCD	
Fc1cc(CNCc2nn(-c3ccccc3)c3c2CCC3)ccc1N1CCOCC1	727469026	NXLNFQRABSXKPJ-UHFFFAOYSA-N	406.505	3.627	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(N2CCOCC2)cc1	728694286	SXXBKSNFIFWOHB-INIZCTEOSA-N	408.502	3.681	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cccc(F)c4)n3)ccc2N1	731059063	PRKKHZUTXXACBF-UHFFFAOYSA-N	403.460	3.635	10	20	HHCD	
CCCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731364164	LWAQMYSTKXYYHF-SFHVURJKSA-N	406.546	3.510	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC4(CCCCC4)C3)cc2)C1	732450630	QOEIUFNWNDGQDH-HXUWFJFHSA-N	412.578	3.644	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)cc2)CC1	732462530	AFHXPZGIRIGBOQ-GOSISDBHSA-N	418.582	3.978	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccc(OC(F)F)cc1	733838178	XDSOEZMLMKRYLN-IMFGXOCKSA-N	419.424	3.989	10	20	HHCD	
COc1cccc(C(=O)N2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)c1OC	738110192	YGRRLRGDJZZPOD-UHFFFAOYSA-N	412.530	3.799	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(CCN3[C@@H](C)CC[C@@H]3C)CC2)c(C)n1-c1ccccc1	738309359	OGSTZHVTMCOLOO-SFTDATJTSA-N	422.617	3.767	10	20	HHCD	
CC(=O)N[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(F)cc1F	741534079	WOFQRSXFGCTQMH-QFIPXVFZSA-N	415.484	3.789	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COc2ccc(O[C@@H](C)C(N)=O)cc2)c1C	742361840	ZTFPYTICFJGOQX-SFHVURJKSA-N	406.482	3.917	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCc2ccccc2C1	743873216	KJHKLMADNKHKFR-OAHLLOKOSA-N	417.347	3.950	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1CC(F)(F)F	743884996	VMMFDROCPYTBMK-UHFFFAOYSA-N	405.420	3.647	10	20	HHCD	
COc1ccc(N(Cc2ccccc2)Cc2csc(CS(C)(=O)=O)n2)cc1	744385333	HVGIKMWFWPPZBL-UHFFFAOYSA-N	402.541	3.903	10	20	HHCD	
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3O)cc2)cc1C	748349269	DHRXFZPHRPGACS-UHFFFAOYSA-N	410.495	3.740	10	20	HHCD	
COc1cc(Br)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	748705764	UKSSEBPRSPEHKW-UHFFFAOYSA-N	419.319	3.567	10	20	HHCD	
CCS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	748961955	SYQKETLUVLAMBQ-FPOVZHCZSA-N	405.608	3.759	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CCN(C)c3ccccc32)cc1	750728069	UMGATIUNNVIPHF-GMAHTHKFSA-N	407.558	3.884	10	20	HHCD	
CCOC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)o1	751513174	OVMNZRZGYIKOGZ-LFIBNONCSA-N	402.497	3.928	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(Br)c1	754971422	KJSOBDGAQLUQQN-UHFFFAOYSA-N	419.319	3.639	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc([S@](C)=O)cc1	756724918	OFIXFDVHTKXIJR-BCSOALRTSA-N	416.543	3.581	10	20	HHCD	
O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(OCC(F)(F)F)nc1	758164772	ZTWBFCBCDUNESR-UHFFFAOYSA-N	417.192	3.836	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3cccc(O)c3)cc2F)C[C@H](C)O1	758426063	JMQQPIIWYGHHQF-GJZGRUSLSA-N	404.507	3.553	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1	759447210	LDCPSZGOBPFCNH-FQEVSTJZSA-N	419.472	3.946	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnc([C@@H]2CCCO2)s1	760386816	NSASNWCGRYSRRT-INIZCTEOSA-N	423.485	3.995	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCC(N2CCCCC2)CC1	761577007	PULDVUNOGFAXRY-UHFFFAOYSA-N	405.926	3.607	10	20	HHCD	
CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C12CCC2	764354373	OPFBWSBAHFOUNQ-PMACEKPBSA-N	403.592	3.729	10	20	HHCD	
COc1ccc(N2CCC(NCCCN3CCN(C)C[C@H]3c3ccccc3)CC2)cc1	764885629	ZUYSWUKDYXRATH-SANMLTNESA-N	422.617	3.632	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(OC)c(OC)c1	765256091	TVVSEQFKOIYGGR-PZJWPPBQSA-N	411.546	3.646	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(Cn2cccn2)cc1	765258157	OHCBQKDQQDAESO-UHFFFAOYSA-N	401.264	3.721	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCO[C@H](c2ccccc2)C1	765327314	UQUPEYMRCYBYPO-VWNXMTODSA-N	423.557	3.615	10	20	HHCD	
C[C@H](NCCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl	765404325	CJEFKQANUOOMLT-QRVBRYPASA-N	410.002	3.717	10	20	HHCD	
C[C@@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	765868565	PGXPWHCNCUVVLC-SJLPKXTDSA-N	407.530	3.712	10	20	HHCD	
Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cnn1CC(C)C	766388717	XAWQXSYONOGSSJ-UHFFFAOYSA-N	406.477	3.848	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc2n[nH]cc12	767124627	BOYXSRNJFXKJJC-GJZGRUSLSA-N	411.481	3.946	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2nc(CCC(=O)OC)cs2)cc1F	769014142	UOWAMYCSOMGECU-UHFFFAOYSA-N	408.499	3.556	10	20	HHCD	
Cc1ccc(CNC(=O)C2CCN(Cc3cc(Br)ccc3O)CC2)cc1	769191942	UYUUHTIISLIFAK-UHFFFAOYSA-N	417.347	3.992	10	20	HHCD	
C[C@H](NCCOc1ccc(C(F)(F)F)cn1)c1ccc(N2CCOCC2)c(F)c1	773057825	GJRNDSFQJIVJEG-AWEZNQCLSA-N	413.415	3.806	10	20	HHCD	
CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774483847	MCVUAAGPKQMYHJ-GJZGRUSLSA-N	403.548	3.977	10	20	HHCD	
CCCCNS(=O)(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775466706	YJHVXQGBJHFORM-INIZCTEOSA-N	418.563	3.714	10	20	HHCD	
COc1ccc(O)c(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1	775757077	JDZKNJNDCJLPQM-UHFFFAOYSA-N	401.470	3.909	10	20	HHCD	
C[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)c1ccc(N(C)C)cc1	776238292	IMBXKFUDTACKIX-GCJKJVERSA-N	408.546	3.808	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1csc(-c2cc(Br)cs2)n1	778917096	WGMYWPRFPYSGOA-UHFFFAOYSA-N	411.302	3.975	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1	779570467	LSESEXLCGUMONS-BQYDLMEBSA-N	419.481	3.514	10	20	HHCD	
CC(C)(C)c1nsc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n1	782896173	LFFRNINMRKPRSH-UHFFFAOYSA-N	416.547	3.841	10	20	HHCD	
C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1	783504569	ORNFLCFJCRVRIG-ICSRJNTNSA-N	403.567	3.963	10	20	HHCD	
CCC[C@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)sc2C1	789743011	BZAYBIUJJCMZII-CABCVRRESA-N	414.575	3.930	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(F)c1	790639956	VAYIVCBBDKTMIJ-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
Cc1cc(C(=O)N2CC([C@@H]3CCOC3)C2)c(C)n1-c1ccc(Br)cc1	792608823	UUELAQMPGHXLDH-OAHLLOKOSA-N	403.320	3.965	10	20	HHCD	
COc1ccc(CNC(=O)CCSc2ncnc3sc(C)c(C)c23)c(O)c1	794377569	QBMCDVPJXFLGAY-UHFFFAOYSA-N	403.529	3.821	10	20	HHCD	
COc1cc(C)cc(CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1O	794676775	IGMFWUJETFIERO-UHFFFAOYSA-N	406.482	3.528	10	20	HHCD	
O=C1/C(=C\c2ccnn2-c2ccc(F)cc2)SC(=S)N1CCc1ccccn1	794859198	MAHABQJHFADRJQ-QGOAFFKASA-N	410.499	3.850	10	20	HHCD	
CN1Cc2cc(-c3csc(NS(=O)(=O)c4ccsc4)n3)ccc2NC1=O	795586294	CZYKJUVUTXLQHR-UHFFFAOYSA-N	406.514	3.650	10	20	HHCD	
CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1	796697514	XJMNZNKVMOEDGC-JRGCBEDISA-N	405.583	3.941	10	20	HHCD	
CSC[C@H](C)C(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	799304828	JVZMETMGIMJWKR-SFHVURJKSA-N	419.635	3.727	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc(N2CCOCC2)cc1	806542531	UVZPIQOWMBNVAR-MZLICYQSSA-N	422.573	3.546	10	20	HHCD	
Cc1ccc(CC[C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1	807651635	CMFDCBPVCFJZAN-GOSISDBHSA-N	411.546	3.674	10	20	HHCD	
CSc1ccc([C@H]2NC(SCC(=O)C(C)=O)=NC(C)=C2C(=O)OC(C)C)cc1	808010927	GNTTUXNMQLAHIO-GOSISDBHSA-N	420.556	3.526	10	20	HHCD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCc1ccc(N2CCOCC2)cc1	809718523	VCEIEJQWDNSODE-DBXWQHBBSA-N	403.567	3.647	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nc(N3CCCC3)ncc2Cl)cc1	916042153	YISCACJRBUNZRJ-UHFFFAOYSA-N	401.942	3.849	10	20	HHCD	
Cc1ccc([C@@H](C)N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1	918023614	HGWXVCIXZWSAAO-LJQANCHMSA-N	413.537	3.588	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)c3cccs3)c2C)c1	918870745	RGYFGKLOUZVLQB-UHFFFAOYSA-N	410.495	3.620	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2cnsn2)c(C)n1-c1ccc(OC(F)F)cc1	919483782	WEOIOIXHAPJSJN-GFCCVEGCSA-N	421.425	3.975	10	20	HHCD	
CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1sccc1-n1c(C)ccc1C	919568719	IFKOYXCGPALENG-IBGZPJMESA-N	424.522	3.629	10	20	HHCD	
Cc1cc(C)n(-c2cccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)c2)n1	919776649	ZKORYDQRSXBVRF-UHFFFAOYSA-N	405.502	3.647	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CN[C@H](c3ccccc3)C(F)(F)F)CC2)cc1	1336532252	QBQCZNYZJGBYKT-OAQYLSRUSA-N	421.463	3.627	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1	8171185	BQAXWJQLZGTCLR-UHFFFAOYSA-N	402.907	3.865	10	20	HHCD	
C[C@H]1CCc2nc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)sc2C1	141547225	BDSGAUYDKBLRGY-LSDHHAIUSA-N	400.548	3.987	10	20	HHCD	
COc1cc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)cc(OC)c1OC	302174410	WMBHGUJEZFHVDX-UHFFFAOYSA-N	403.426	3.514	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1	303125864	GXKWEGAIYCDWKC-UHFFFAOYSA-N	423.463	3.971	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	725826410	RYVGTKDCRIWKOF-UHFFFAOYSA-N	409.895	3.668	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2oc3ccccc3c2CS(C)(=O)=O)cc1	726503941	QTYCJBGWDMJOQM-UHFFFAOYSA-N	414.527	3.754	10	20	HHCD	
COc1ccc(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC	726565588	DJAKPPDWXAWLMO-UHFFFAOYSA-N	420.456	3.633	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](c1ccccc1)[C@@H]1CCCO1	726706622	OSPGYMDTPLTVJO-FCHUYYIVSA-N	411.571	3.959	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc21	727152045	SETLQWSVMMDLRF-NRFANRHFSA-N	423.557	3.821	10	20	HHCD	
CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)s1	727251027	SNZWAZPBFRSDTP-UHFFFAOYSA-N	412.518	3.544	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1C	729579791	IOTCXZTZYDFVOH-AWEZNQCLSA-N	421.519	3.744	10	20	HHCD	
COCCOc1ccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)cc1	730593985	XRGFMSCXTKFKLU-NBVRZTHBSA-N	400.525	3.551	10	20	HHCD	
COC(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)n1	732114675	KZASSVDKEGHWDU-UHFFFAOYSA-N	419.481	3.790	10	20	HHCD	
CCSc1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	733855112	FHWFHXNBSXKAFO-UHFFFAOYSA-N	413.543	3.531	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)n1CC(F)(F)F	736195225	CMUQEISUUKWSAJ-UHFFFAOYSA-N	423.479	3.806	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F	741062140	MIBDKNRUFBERQG-UHFFFAOYSA-N	404.373	3.894	10	20	HHCD	
O=C(CN1CC[C@H](CN2CCOCC2)C1)Nc1ccc(N=Nc2ccccc2)cc1	741809074	ORUUHHJEWDDQDE-LJQANCHMSA-N	407.518	3.695	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1F	742229864	FKAAEVUOEOEVDQ-GOSISDBHSA-N	415.509	3.816	10	20	HHCD	
Cc1nnc(-c2cccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2)o1	742246311	UZZFAMNXBYLKGU-HUUCEWRRSA-N	424.476	3.728	10	20	HHCD	
CC(C)c1nn(C)c2sc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc12	742498281	NTSSKRGTCMXOQI-UHFFFAOYSA-N	412.559	3.867	10	20	HHCD	
Cc1c(Br)cccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	742690025	NBDFAZGFJPIZAX-UHFFFAOYSA-N	417.347	3.896	10	20	HHCD	
C/C(=C\C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(C)(C)C	745595836	BISMJELIVRQROC-NPTTZVSOSA-N	420.525	3.591	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1COc2ccccc2C1	745614969	KANVAHWTMZAAIS-MRXNPFEDSA-N	405.292	3.690	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1	746308863	CGKDMHRDSWXFAY-UHFFFAOYSA-N	413.465	3.686	10	20	HHCD	
O=C(CSCc1cscn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746858563	MRKZVILFIPAKRO-ZDUSSCGKSA-N	413.515	3.763	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccc4c(c3)NC(=O)C4)c2C)cc1	752049672	ZMXPUQCIMBPYJX-UHFFFAOYSA-N	416.477	3.866	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)c1c(F)cccc1Cl	752994431	CCUKOTUPOUORFO-VLIAUNLRSA-N	403.885	3.777	10	20	HHCD	
C[C@H](NC(=O)N1CCO[C@H](CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	754170762	YFZMJQRRFWXAJZ-GBXCKJPGSA-N	423.557	3.627	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)cc1	755959489	UEOMTNOKOROVFL-UHFFFAOYSA-N	410.904	3.666	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)c2ccco2)CC1)c1cc(Br)cc(F)c1O	756393565	SCPDZBSWPZHPMX-LLVKDONJSA-N	411.271	3.842	10	20	HHCD	
Cc1cc(C(=O)NCCCO[C@@H]2CCOC2)c(C)n1-c1ccccc1Br	756991493	YTHWISNODPXCPB-MRXNPFEDSA-N	421.335	3.782	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cc(Br)c(F)cc1O	757640649	SSJUVOHGQZKJOD-BBRMVZONSA-N	423.326	3.711	10	20	HHCD	
CC(C)Oc1ccc(N(C)CC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1	759927982	KXCIABBHFMUNCO-UHFFFAOYSA-N	403.910	3.661	10	20	HHCD	
CCCCN1CCc2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cc21	761141915	LUDMLMYIAGXJQK-UHFFFAOYSA-N	421.541	3.689	10	20	HHCD	
Cc1c(Cl)cc(F)c(NC(=O)C(=O)NCCCSc2nccs2)c1F	761978907	BSZHXMDVIOSLLM-UHFFFAOYSA-N	405.879	3.620	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)c2C)c1	764468630	ZNSPHTAWMSQXLP-NLFFAJNJSA-N	422.617	3.543	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2cccc(Br)c2O)c1	765726632	IFPCEEMRKLMSDF-DZGCQCFKSA-N	406.276	3.592	10	20	HHCD	
CC[C@@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1ccc(N(C)C)cc1	765869195	WCPJKXCMZOCPIZ-LADGPHEKSA-N	408.590	3.691	10	20	HHCD	
Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	766250318	UDPGKEYUKIONDL-UHFFFAOYSA-N	408.546	3.565	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1	767883351	HTBNVSLEBAJPMF-FQEVSTJZSA-N	419.566	3.565	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](C)C[S@](C)=O)c(C)n1-c1ccccc1Br	768444136	DMHVVYOGXXWVHP-OZAJXLCCSA-N	411.365	3.696	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Cn3cnc4c(cnn4C(C)C)c3=O)c2C)c1	768467022	UYNAPOWGKBKZAW-UHFFFAOYSA-N	403.486	3.773	10	20	HHCD	
CCOc1ccc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c(O)c1	769314720	QIMNDAMBKYNRNN-OAHLLOKOSA-N	424.497	3.605	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(Cc2ccsc2)c2ccccc2)c1	769745764	BZFOKCCGQWWREC-UHFFFAOYSA-N	402.497	3.672	10	20	HHCD	
C[C@@H](NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1	772777846	YFUUAXSTWQMCIY-KGHNQEBZSA-N	410.253	3.838	10	20	HHCD	
COCCC1(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCCCC1	773719468	LHVLVGCWKIZICN-UHFFFAOYSA-N	403.567	3.904	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2cc(C=O)c3ccccc32)cc1	773876757	CYWDKAFYNMRTDA-JOCHJYFZSA-N	419.525	3.728	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cc([N+](=O)[O-])ccc1O	774509403	PONUHMGGHSHMRF-MEDUHNTESA-N	420.263	3.519	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3c(F)cc(Cl)cc3F)cc2)C1	775385378	KIQZGXIVOYHOHL-ZDUSSCGKSA-N	422.863	3.642	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1O	775491818	LAQARDBSZFXJIN-OAQYLSRUSA-N	421.520	3.889	10	20	HHCD	
Cc1cc(Br)cc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O	775656318	RLJLCHAHZJBUSI-AWEZNQCLSA-N	409.368	3.934	10	20	HHCD	
COc1cc(O)c(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1OC	775667538	KNDSNIRXWUWUSR-UHFFFAOYSA-N	419.909	3.803	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](n3cncn3)C2)c(C)n1-c1cccc(C(F)(F)F)c1	776878321	XAANDXUOFSDLTA-SFHVURJKSA-N	417.435	3.834	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1O	779378075	OBXWDDRBDMUOPA-ZDUSSCGKSA-N	410.301	3.786	10	20	HHCD	
CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779527070	CHWDNHVKGFDJSW-CLFYSBASSA-N	416.518	3.749	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(OC2COC2)cc1	782093453	RATMNKPAJBSXSH-UHFFFAOYSA-N	421.291	3.986	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)cc1F	789436541	SHQFFWOIBNZDEP-QEJZJMRPSA-N	416.522	3.507	10	20	HHCD	
COc1cc(Br)cc(CNC[C@](C)(Cc2ccccc2)[C@H](C)O)c1O	791005096	WYRXHQPCPCOXPG-XOBRGWDASA-N	408.336	3.883	10	20	HHCD	
C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)NC(=O)OC(C)(C)C	792250073	BROBOWJVJXOGIO-KRWDZBQOSA-N	404.555	3.732	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1Br	792454524	ZNEXHHUREDITCQ-UHFFFAOYSA-N	422.342	3.745	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42	793347211	NRIZAXAMECTDIZ-PLZOXNTBSA-N	414.496	3.767	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2OC	802609812	LHQDJCGKMTUQEL-HXUWFJFHSA-N	412.486	3.630	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CC(C)(c2ccccc2)C1	804970377	LVCDBAPDPRSCEN-UHFFFAOYSA-N	407.558	3.726	10	20	HHCD	
CC(C)COc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807512696	FDUDQKWENQTSNE-UHFFFAOYSA-N	411.285	3.989	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	807513357	MDWLSTBHRQEJBK-UHFFFAOYSA-N	418.620	3.516	10	20	HHCD	
C[C@H]1[C@@H](NC(=O)NCc2cccc(Br)c2O)CCN1Cc1ccccc1	807622427	SRICWNUZGOZKTH-KSSFIOAISA-N	418.335	3.617	10	20	HHCD	
COc1cccc(CN(CC(C)C)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	807674688	PJGUKAIYJGVYNV-SFHVURJKSA-N	411.546	3.623	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H]1CCSC1	812134120	HPMKHXOOYOQELM-IBGZPJMESA-N	411.575	3.941	10	20	HHCD	
Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	863948725	KSPVTJARUCGQFE-QFIPXVFZSA-N	408.502	3.567	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)[C@H]3CC(=O)N(C)C3)n2)c(C)n1-c1ccc(F)cc1	914715243	DPYLGYGOVMEDBJ-AWEZNQCLSA-N	412.490	3.774	10	20	HHCD	
O=C1CCCN1Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	916677926	VPLYDYIAELOKLH-NRFANRHFSA-N	423.513	3.728	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n(Cc2ccccc2)n1	916678183	NQRNCNZMLGSJLO-UHFFFAOYSA-N	423.492	3.537	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n1	917897670	DYEZLQUVZKNABH-UHFFFAOYSA-N	422.459	3.530	10	20	HHCD	
Cc1cc(C)c(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1	918218512	UXQAZIBXWKKWDX-UHFFFAOYSA-N	409.574	3.862	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(c2ccccc2)CC1	918220953	NNCLKUBDDVHOGX-UHFFFAOYSA-N	411.521	3.876	10	20	HHCD	
CCOCCOc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	920351213	UJACKSFFYCZIJO-UHFFFAOYSA-N	420.575	3.767	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCN2C(=O)c3ccccc3C2=O)c1	1115885749	AINRCAJRGRNUPS-UHFFFAOYSA-N	421.884	3.774	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ncc(Cl)s2)NC(=O)OC(C)(C)C)cc1	1344360758	XXFIZNUYNQTGLJ-AWEZNQCLSA-N	424.954	3.858	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(F)F)cc1	1795559326	KVLGMTUOVMEOJG-GGPHIMKMSA-N	401.457	3.611	10	20	HHCD	
CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1816832590	NDJAVPSGJXBVNC-CQSZACIVSA-N	420.897	3.826	10	20	HHCD	
O=C(NCCOc1ccc(Cl)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	43789919	CCQRCQWCGLVVPZ-IBGZPJMESA-N	404.894	3.815	10	20	HHCD	
COc1ccc(S[C@@H](C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	110472659	INMZZBILTYSEPL-INIZCTEOSA-N	400.544	3.970	10	20	HHCD	
CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	141025447	MGCGGYZZHSLJGW-SJORKVTESA-N	410.518	3.603	10	20	HHCD	
CCOc1cccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1OC(F)F	207735802	GXJAFAQQOZGTOS-FMIVXFBMSA-N	417.455	3.753	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccc(N4CCCC4)nc3)cc2)CC1	303360792	HDQVOVYICHJWEU-UHFFFAOYSA-N	407.562	3.918	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)n(C)c2ccccc12	552164728	KDWAOLNKKTTXNO-SFTDATJTSA-N	403.526	3.946	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1	727170551	SNCCCJGBHVBTBJ-MRXNPFEDSA-N	416.905	3.846	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(-c4cnco4)cc3)cc2F)CC1	730193655	PKDUQKZOFXFYBY-UHFFFAOYSA-N	408.477	3.553	10	20	HHCD	
CCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731364161	LWAQMYSTKXYYHF-GOSISDBHSA-N	406.546	3.510	10	20	HHCD	
Cc1cc(C(=O)CN2CCCS(=O)(=O)CC2)c(C)n1-c1ccc(C(C)C)cc1	732211536	FBJXQSPILYJPGE-UHFFFAOYSA-N	402.560	3.521	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccnc3N3CCC(O)CC3)ccc21	733361541	KESBLNAFQHPSJY-UHFFFAOYSA-N	422.529	3.513	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl	737210293	YYCWHWVIKQUYIJ-UHFFFAOYSA-N	413.827	3.988	10	20	HHCD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Br)ccc1O	744426634	SAGHSHJNOQTALW-UHFFFAOYSA-N	420.307	3.574	10	20	HHCD	
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc2c(c1)CCCN2C	745788204	GYASEXVLQLZBQO-QFIPXVFZSA-N	406.574	3.733	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@H](N2CCCCC2)C1	745904989	VZIBSAHNRUPTMX-MJGOQNOKSA-N	422.520	3.527	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1	747512742	CDSFGIZMHIOEMC-WOJBJXKFSA-N	400.906	3.711	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)cc1	749349536	JPTYEJLBFJRLBS-QHCPKHFHSA-N	424.520	3.517	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(COC3CCOCC3)cc2)cc1F	752205814	FQYOQXOUQZWUBJ-UHFFFAOYSA-N	415.509	3.587	10	20	HHCD	
Oc1cc(OCc2ccccc2)ccc1CN1CCC(CCN2CCOCC2)CC1	753529667	FKGBPXMUJMILNQ-UHFFFAOYSA-N	410.558	3.906	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC(=O)N(CC(F)(F)F)C2)cc1	754611676	CJBFYBCWJJTALI-UHFFFAOYSA-N	419.407	3.972	10	20	HHCD	
C[C@@H]1CN(CCCN[C@H](C)c2cc(Br)cc(Cl)c2O)C[C@@H](C)O1	756367505	NBXVQJWNBIFOEH-JHJVBQTASA-N	405.764	3.958	10	20	HHCD	
C[C@H](N[C@H]1CCCC[C@H]1N1CCOCC1)c1cc(Br)cc(F)c1O	756658212	HVLPBNDWDLAYCK-AFAVFJNCSA-N	401.320	3.588	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1)C1CCCCC1	756930094	VEYJFMNDRJHYGD-VXKWHMMOSA-N	401.551	3.545	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1Cl	757485231	FSQXSPBCXGYIRY-UHFFFAOYSA-N	422.934	3.546	10	20	HHCD	
CCS(=O)(=O)N1CCC(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)CC1	757702536	DBLLHDNFGGCKTN-IBGZPJMESA-N	407.624	3.779	10	20	HHCD	
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)NCc1ccc(N2CCOCC2)cc1	758716270	ZCAOASDEEFRVCA-OAHLLOKOSA-N	401.457	3.630	10	20	HHCD	
CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)NCCCSc1nccs1	759571970	XZWNBHLMIOXONJ-AWEZNQCLSA-N	414.597	3.714	10	20	HHCD	
O=C(NCCC[C@H]1CCCCO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	760707906	GSYQRWGESMYQQQ-SJLPKXTDSA-N	411.493	3.905	10	20	HHCD	
COc1cc(OC)c(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1Cl	761034200	ZIZJSRVMRZCKLK-UHFFFAOYSA-N	411.241	3.685	10	20	HHCD	
CC[C@@H](C)Oc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)cc1	762082672	CTOKAQAJYNUVNF-GFCCVEGCSA-N	403.460	3.658	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3c[nH]c(C)cc3=O)c2C)c1	762899318	BEHLPUPEVZGGPE-UHFFFAOYSA-N	410.495	3.852	10	20	HHCD	
CC(C)c1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)no1	765104752	XWAMBOHGDYTICY-GOSISDBHSA-N	416.522	3.860	10	20	HHCD	
C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1	765336002	CRMRPIWTSLICFS-AWEZNQCLSA-N	406.885	3.938	10	20	HHCD	
C[C@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	765686787	UVEYVGMXYOXPSU-YWZLYKJASA-N	412.427	3.763	10	20	HHCD	
CCS(=O)(=O)c1ccc2oc(CN(Cc3ccc(N(C)C)cc3)C3CC3)nc2c1	766019384	ITWUELJQNXHHKG-UHFFFAOYSA-N	413.543	3.852	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(-c3ncco3)c2)cc1	766361236	KJZBKZFFMUXEQN-UHFFFAOYSA-N	406.486	3.751	10	20	HHCD	
COC(=O)COc1c(C)cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1C	768163106	UEMOLAGBPFMVIG-OAQYLSRUSA-N	413.514	3.742	10	20	HHCD	
Fc1cc(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)ccc1N1CCOCC1	769222442	HTUGLPBQYGNTOT-UHFFFAOYSA-N	421.520	3.827	10	20	HHCD	
CCCCn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)n1	770220354	NXIPJSKECINEOH-UHFFFAOYSA-N	424.467	3.777	10	20	HHCD	
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	773238724	WPXRLTCCLYKGMI-TZLLFPAYSA-N	421.557	3.832	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1)c1ccc(N(C)C)cc1	773844216	CYRNLTYOWYBVBP-INIZCTEOSA-N	404.470	3.756	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1O	775031178	ZBMCBEKQADSSBV-RFAUZJTJSA-N	401.246	3.828	10	20	HHCD	
CCCCOc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1	776073874	ZNDBHYIZYVXIHG-UHFFFAOYSA-N	412.534	3.791	10	20	HHCD	
CCOC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H]1CCCOC1	781377333	FFGDQRRROIDFPS-OXJNMPFZSA-N	418.921	3.836	10	20	HHCD	
COC(=O)c1cc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1C	786004348	UAZBPRHBJWGSEH-UHFFFAOYSA-N	405.414	3.804	10	20	HHCD	
COC(=O)CCc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1	786425210	CAIGRHAEKPWCNZ-UHFFFAOYSA-N	423.513	3.536	10	20	HHCD	
Cc1ccc(CNCc2cccc(Br)c2O)c(-n2cc(Cl)cn2)n1	786822947	GFVRWGGUBCXCGD-UHFFFAOYSA-N	407.699	3.987	10	20	HHCD	
Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1	788935058	AMWNWTVESDMKGW-SIKLNZKXSA-N	405.542	3.616	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1	788939482	KIPLEPPZKMFRLC-FPOVZHCZSA-N	411.521	3.741	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1[nH]nnc1-c1ccccc1	789988466	GNNIWLOBFVCNOE-UHFFFAOYSA-N	401.264	3.602	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCSC[C@H]3c3cnn(C)c3)cc2)CC1	790318890	NAXBHAIREZEXBG-NRFANRHFSA-N	413.591	3.656	10	20	HHCD	
Cc1c(Br)cccc1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	790369904	YXFGAAJKCDDRDH-UHFFFAOYSA-N	421.310	3.592	10	20	HHCD	
Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c(C)c1[N+](=O)[O-]	790639459	NMZYWBQNHONIQP-UHFFFAOYSA-N	424.416	3.637	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c(O)c1	794371132	XBQWUJNKOATJGH-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
Cc1nccc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1	795420433	QRKFISANPPDXHI-GDNBJRDFSA-N	419.553	3.571	10	20	HHCD	
Cc1cc(C(=O)Oc2ccccc2CS(C)(=O)=O)c(C)n1-c1ccc(F)cc1	803080620	GAKCPDZUEXMYCW-UHFFFAOYSA-N	401.459	3.997	10	20	HHCD	
O=C1/C(=C\c2cscc2C(F)(F)F)SC(=S)N1CCCN1CCOCC1	811624446	FKCUZSVDTSHBFN-MDWZMJQESA-N	422.519	3.690	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](O)c1ccc(Cl)cc1	813488940	JQTJPKDMYZHFTR-IEBWSBKVSA-N	409.313	3.513	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1	818785759	JEBUPUMUDIJMLA-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CN(C)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)cc1	918090528	GYSWBOYAWZFJRR-LEWJYISDSA-N	415.509	3.525	10	20	HHCD	
COc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2cccnc12	920919845	CFOQMPFTWGHORK-INIZCTEOSA-N	406.486	3.963	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCCNS(=O)(=O)c1ccccc1Cl	1321188542	VJXGMYMMRBVGHG-GOEBONIOSA-N	408.951	3.861	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1	1325764464	RLCVVCJOFGUOLU-KDOFPFPSSA-N	419.905	3.611	10	20	HHCD	
CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1826395543	ODWPZEGIWWINHT-QGZVFWFLSA-N	408.926	3.785	10	20	HHCD	
O=C(CCC1CCCC1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1	1845500903	BXJUTRZFELHMRD-UHFFFAOYSA-N	406.910	3.539	10	20	HHCD	
COC(=O)c1sc2nc(C)nc(NCc3ccc(N4CCOCC4)cc3)c2c1C	64931114	YVMPPMFOEKSSNT-UHFFFAOYSA-N	412.515	3.543	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCC[C@@H](C)C1	24874864	DPVVTTWOGISOQV-OAHLLOKOSA-N	401.532	3.692	10	20	HHCD	
CN(c1ccc(CNc2cnn(C)c(=O)c2Br)cc1)C1CCCCC1	301245432	PUYNOEPNCQCXAH-UHFFFAOYSA-N	405.340	3.924	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C	303669622	GAPSALCUVNFATR-UHFFFAOYSA-N	424.545	3.715	10	20	HHCD	
COC(=O)[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)Cc1ccc(O)cc1	97570672	RDDYYAVLHLBCNS-HXUWFJFHSA-N	420.509	3.870	10	20	HHCD	
CCOC(=O)c1nc(N2CCCN(c3ccc(OC)cc3)CC2)cc(C(C)(C)C)n1	804364441	QXTGAXXHXUZCDW-UHFFFAOYSA-N	412.534	3.676	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2ccccc2SCc2c(C)noc2C)C[C@@H](C)[S@@]1=O	804438402	QOPKVKNOSXDFQF-GZVCGHTCSA-N	406.573	3.955	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1	801549305	JSLIUNXNSNDKKL-UHFFFAOYSA-N	408.520	3.505	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccc(OC)cc2)cc1F	804853843	WGUDBQYEPDYWCH-MRXNPFEDSA-N	415.509	3.516	10	20	HHCD	
Cc1oc2ccc(NC(=O)C(=O)NCc3cc(Br)ccc3O)cc2c1C	807386976	SXBCSWDWTFFMBC-UHFFFAOYSA-N	417.259	3.773	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(C[S@](C)=O)cc2)cc1	805866429	VAEYVBOUOVQKAC-NDEPHWFRSA-N	401.576	3.753	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ccc(Br)cn2)CC1	480824882	XNZLOJBVXWDHOI-UHFFFAOYSA-N	412.287	3.667	10	20	HHCD	
C[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1	810207464	JQDUIPWHYOBMKD-IEBWSBKVSA-N	413.949	3.880	10	20	HHCD	
O=C1NC2(CCCC2)C(=O)N1c1cccc(CNCc2c(O)ccc(Cl)c2F)c1	810172331	KDOVWRMRAAMRBW-UHFFFAOYSA-N	417.868	3.844	10	20	HHCD	
COc1cc(C[C@@H](CO)CN[C@@H](C)c2cccc(C(F)(F)F)c2O)cc(OC)c1	815585725	QOCUNXPFHRPBHN-DZGCQCFKSA-N	413.436	3.930	10	20	HHCD	
O=C(NCCCCCc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	727845746	YACCZAARDGQTHV-UHFFFAOYSA-N	413.537	3.999	10	20	HHCD	
O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCC1CC1	728764781	AQPBCHPEKDEQQN-QPEQYQDCSA-N	412.330	3.604	10	20	HHCD	
CN(C)c1ccc(CNC(=O)COc2ccccc2OCC(F)(F)F)cc1F	727666072	RXFGWXKWFQAIQE-UHFFFAOYSA-N	400.372	3.528	10	20	HHCD	
Cc1ccc(CN(CC(=O)NCc2ccccn2)c2ccc3c(c2)OCCO3)s1	727831612	LNUGFVJCOXMREQ-UHFFFAOYSA-N	409.511	3.546	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](OC1CCCC1)c1ccccc1	726916701	DZOJGEGWBJNISY-QHCPKHFHSA-N	412.505	3.979	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCCNc2ccc(C(F)(F)F)cn2)c1	728946223	DZSSQGYZRNIAHY-LBPRGKRZSA-N	412.412	3.677	10	20	HHCD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	727733029	YUEBUUCHMWFIJZ-UZUQRXQVSA-N	419.566	3.784	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(S(N)(=O)=O)c2cccnc12	736597770	IWWKJSDMQDWEGJ-UHFFFAOYSA-N	410.543	3.509	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1-c1ccc(F)cc1	735518210	HMJYSXGULBOULH-FQEVSTJZSA-N	409.461	3.847	10	20	HHCD	
CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	739527653	UTZMGBPRXCPASR-GGAORHGYSA-N	407.558	3.519	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)COc3cccc4ccccc34)cc2F)CC1	730192543	FQZBMRNJWAQSTM-UHFFFAOYSA-N	421.516	3.816	10	20	HHCD	
CCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cs1	732254633	DCHMIYBNHSCMPI-OAHLLOKOSA-N	419.570	3.547	10	20	HHCD	
CCOc1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1Cl	732733796	NALMKBVTEPANBS-OKILXGFUSA-N	421.900	3.816	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c(C)n1-c1ccc(Cl)cc1	732560294	NEJMENJKCZPEJR-MRXNPFEDSA-N	413.827	3.641	10	20	HHCD	
CC(C)c1ccc2cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)[nH]c2c1	918370588	ABRITAHAERIUTQ-HXUWFJFHSA-N	418.541	3.923	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Cl)nc2ccccc12	919970649	RDUKSCOWKMYBAL-UHFFFAOYSA-N	413.880	3.918	10	20	HHCD	
Cc1cc(CC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	740802123	KISVKPRRFVNEJE-QUCCMNQESA-N	422.978	3.762	10	20	HHCD	
CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	743064894	WTDFGJYLZNZICE-GOSISDBHSA-N	401.492	3.648	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1F	915220198	IYQSCRUDOKYKRK-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
CC(=O)c1cc(CN(C)CCCCc2ccccc2)c(O)c(CN2CCOCC2)c1	917476533	NTYCFEZERCBXAV-UHFFFAOYSA-N	410.558	3.882	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)c2)cs1	747011566	ROYNZAIFEITXBD-UHFFFAOYSA-N	412.490	3.579	10	20	HHCD	
O=C(NCC[C@H](O)c1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903622	IEFITNLTWGHCMS-XLIONFOSSA-N	419.472	3.680	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2F)C[C@H](C)O1	749910836	GQUMSCMRSYMTOO-STQMWFEESA-N	421.856	3.931	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3c(C)nn(Cc4ccccc4)c3C)CC2)cc1	918666777	XYXXSCPLRXYQKO-UHFFFAOYSA-N	418.541	3.909	10	20	HHCD	
Cc1ccsc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	743045932	GOUIMSDUVBWNFT-UHFFFAOYSA-N	405.526	3.866	10	20	HHCD	
COc1cc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)cc(OC)c1OC	742483069	FYXUJCVLWQGGJS-UHFFFAOYSA-N	412.530	3.952	10	20	HHCD	
Cc1nc(NCc2ccc(N3CCOCC3)c(F)c2)c2cnn(-c3ccccc3)c2n1	917086972	QKVMVNUBCTZUAU-UHFFFAOYSA-N	418.476	3.712	10	20	HHCD	
CN(C)C(=O)C1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CCCC1	745819019	IDEBSSBHCRNMQM-UHFFFAOYSA-N	401.551	3.885	10	20	HHCD	
C[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)Oc1ccc(Br)cc1	742386784	BJVDAQRMWQHBQG-HNNXBMFYSA-N	423.326	3.982	10	20	HHCD	
CC(=O)N1CC[C@H](CN(C)Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	754778934	VVRGGLBUSVUUCD-GOSISDBHSA-N	420.509	3.774	10	20	HHCD	
CC(C)Oc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccn1	857471844	CDHWDLTUDKPCIA-SFHVURJKSA-N	403.910	3.622	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)Cc2cnn(C)c2)cc1	857450236	PYXMSWBAPBTOLD-GOSISDBHSA-N	406.530	3.907	10	20	HHCD	
CCN(C(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1	751930407	DMMICRZMGSRUPX-OAHLLOKOSA-N	409.511	3.915	10	20	HHCD	
C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccncc1	756776935	CVHJIQJKNCUNSG-HNNXBMFYSA-N	407.436	3.747	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CSCCS1	756064980	XXMQEKUWPYCNEC-CYBMUJFWSA-N	405.383	3.535	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3ccc(Cl)c(Cl)c3)CC2)cc1F	857464525	GIUFTJBBFIOLSW-UHFFFAOYSA-N	413.276	3.869	10	20	HHCD	
COc1ccc(Br)c(CC(=O)NCc2ccc3c(c2)CCCN3C)c1	768562157	LATJOTNCEUZYAO-UHFFFAOYSA-N	403.320	3.699	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(Cn4ccnc4)cc3)c2)CC1	767934542	XXWJXWXHDWKZHY-UHFFFAOYSA-N	403.530	3.714	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCCC2)cc1	765323986	NTBAJZRRTIRZOD-RXVVDRJESA-N	412.530	3.886	10	20	HHCD	
O=C1[C@H](Cc2ccccc2)N(C2CC2)C(=O)N1Cc1ccc(N2CCSCC2)cc1	761096798	FPMMJJSBOZBCCA-QFIPXVFZSA-N	421.566	3.778	10	20	HHCD	
C[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(N2CCCCC2)c(F)c1	764655948	ZWMLOJUUAHHHDT-QGZVFWFLSA-N	416.541	3.721	10	20	HHCD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	765976720	SRLUQYYWCBCJJE-FUHWJXTLSA-N	418.335	3.501	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(Cc2ccccc2)c1	765288209	WWJCUBQYSMOZRQ-GOSISDBHSA-N	408.521	3.882	10	20	HHCD	
CC(C)NC(=O)CSc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2	769561715	BDUASHJNOCIHIU-UHFFFAOYSA-N	412.555	3.818	10	20	HHCD	
CCCNS(=O)(=O)c1ccc(NCc2cc(OC)cc(C(C)(C)C)c2O)cc1	864043510	QHQGHIHXGVYJBL-UHFFFAOYSA-N	406.548	3.999	10	20	HHCD	
O=C(N/C(=C/c1cccnc1)C(=O)N1C[C@H]2CCC(=O)c3cccc1c32)c1ccccc1	768572703	JMZNNBZMNIRDFX-KNGGAZFVSA-N	423.472	3.959	10	20	HHCD	
COc1ccc(NC(=O)c2nnc(CN[C@@H](C)c3ccc(N(C)C)cc3)s2)cc1	775834472	OWNLOUCQPDEWRC-AWEZNQCLSA-N	411.531	3.716	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(Br)c1	776748654	APFIIJYPOVFAIP-UHFFFAOYSA-N	407.629	3.517	10	20	HHCD	
Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1NS(C)(=O)=O	770520404	DRLPEJUCLPHTIS-UHFFFAOYSA-N	418.519	3.877	10	20	HHCD	
C[C@@H]1CN(c2ccnc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2)C[C@@H](C)O1	772151186	HTLJXGCGWAWHAZ-RTBURBONSA-N	408.546	3.616	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3cc(O)ccc3[N+](=O)[O-])SC2=S)cc1	772797211	MDWVQKOKNXAWKG-MHWRWJLKSA-N	401.469	3.772	10	20	HHCD	
CCN1CCN(C(=O)Cc2ccc(NCc3ccc(N4CCCCC4)cc3)cc2)CC1	770601056	CDGHBANAMGUCLX-UHFFFAOYSA-N	420.601	3.996	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(c3ccccc3Br)CC1)[C@@H](O)CO2	783984623	PPKAWYIRYWAGKC-IBGZPJMESA-N	404.304	3.960	10	20	HHCD	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	783526251	HWEXTVIFKIDNLS-INIZCTEOSA-N	422.447	3.968	10	20	HHCD	
CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1	785421478	CRHRVBSSMJFNNC-OAQYLSRUSA-N	411.546	3.671	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)Cc3ncnn3CC(F)F)c2C)c1	787859546	YHZHAMRJOYUJDY-UHFFFAOYSA-N	401.461	3.840	10	20	HHCD	
CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	794831189	OGZFQAYCFXLWPO-SJORKVTESA-N	409.546	3.958	10	20	HHCD	
CN(C)c1ccc(CN[C@@H](CN2CCOCC2)c2ccccc2)c(C(F)(F)F)c1	792892809	HBFTWNKRLAZZRY-NRFANRHFSA-N	407.480	3.935	10	20	HHCD	
Cn1cnn(-c2ccc(NCc3ccc4c(c3)CCN4Cc3ccccc3)cc2)c1=O	796344961	KCWQCTMJPXXEOA-UHFFFAOYSA-N	411.509	3.746	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc(Br)cn3)cc2F)CC1	794809931	RYZIIRMBOGLBJH-OAHLLOKOSA-N	421.358	3.976	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ncoc1[C@@H]1CCCO1	1318508187	KZJYUOUZYXVNTO-INIZCTEOSA-N	407.417	3.526	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1	25393755	VFOUMHVGIXTDRV-LJQANCHMSA-N	403.954	3.834	10	20	HHCD	
CCCCCCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC	213648935	UOFKMOOZHGKYIJ-XDJHFCHBSA-N	404.532	3.957	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1)C1CCCCC1	303061658	LYUHVFISDDZUJM-KNQAVFIVSA-N	401.576	3.526	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3cc(C(F)(F)F)ccc3F)CC2)cc1	303226007	WHTAYKZMWDIJMN-UHFFFAOYSA-N	411.399	3.614	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)n(C)c2ccccc12	503468769	LDLBZXRVXYOXGV-RCDICMHDSA-N	407.489	3.682	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)OC)C3)ccc21	611309138	XLMDUWWRLUCCQJ-LJQANCHMSA-N	414.546	3.956	10	20	HHCD	
COc1ccc(N(CC(=O)N(C)Cc2cccc(OC)c2OC)C(C)C)cc1F	725816016	XBTDFWORZBFAMM-UHFFFAOYSA-N	404.482	3.725	10	20	HHCD	
Cc1cc(Cl)ccc1OCCCNC(=O)NCc1ccc(N2CCOCC2)cc1	726236767	RFBFPRLOKOFOBD-UHFFFAOYSA-N	417.937	3.753	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc21	727151619	KHYBOAYTGUPOFV-OAQYLSRUSA-N	409.530	3.951	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)c1	729536251	XVORYNVPUSHSKB-NSHDSACASA-N	421.375	3.802	10	20	HHCD	
Cc1[nH]c(-c2ccncc2)nc(=NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C	733299773	IXLMAZMUJNFAIU-IYBDPMFKSA-N	421.520	3.942	10	20	HHCD	
CCOc1cc(CNCc2ccc(N(C)C)cc2C)ccc1O[C@@H](C)C(=O)N(C)C	734511848	JQVMAZQHYGPUDS-SFHVURJKSA-N	413.562	3.605	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c2ccccc12	739775218	VQVFERRRCRDVGW-UHFFFAOYSA-N	403.482	3.802	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@H]1NC(=O)OC(C)(C)C	741081928	AQCSAZVRUODRDF-QFBILLFUSA-N	416.566	3.514	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cc1F	741082798	GWDQRRBFZFGVEU-INIZCTEOSA-N	400.281	3.731	10	20	HHCD	
CC(C)[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N1C(=O)c2ccccc2C1=O	742483017	BTCKGWAVAFHJCM-QFIPXVFZSA-N	419.525	3.614	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc3c[nH]nc23)NC(=O)OC(C)(C)C)cc1	742752263	FPRYNSREQNUQJQ-LJQANCHMSA-N	423.517	3.625	10	20	HHCD	
CN(C)C(=O)[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743484939	JYGBFQQIYJEFCS-PXNSSMCTSA-N	403.473	3.676	10	20	HHCD	
CCO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1	743599561	GJKGDQYSYKSRHO-KRWDZBQOSA-N	415.538	3.745	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1nc2ccccc2n1C(F)F	744402228	KTMPTCAJOALDRW-UHFFFAOYSA-N	409.820	3.966	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1	746767581	YLOMWPWLYMYINO-QFIPXVFZSA-N	408.546	3.555	10	20	HHCD	
Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1F	748012417	GUGZODLUWVPPSI-UHFFFAOYSA-N	406.460	3.954	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(Cl)c1	749507585	BWUDOESUPVKDOX-SFHVURJKSA-N	401.938	3.542	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc4ccsc34)CC2)cc1	752394041	APAPIOZSRQQPLR-UHFFFAOYSA-N	409.511	3.634	10	20	HHCD	
CCN(CC)c1ccc(CN[C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)O)cc1	756378367	FBBLRCMLHVUUAG-NRFANRHFSA-N	410.474	3.708	10	20	HHCD	
C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756523097	AAOFLMDBTYXVED-HOTGVXAUSA-N	412.490	3.969	10	20	HHCD	
COc1cc(OC)cc(N2CCCN(Cc3cc(Cl)cc(C(C)=O)c3O)CC2)c1	758743891	QLNXHIOOWGPBED-UHFFFAOYSA-N	418.921	3.978	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(Cl)nc3)cc2F)C[C@@H](C)O1	760744088	PZEOHFNKDDDMAM-GASCZTMLSA-N	420.916	3.530	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)NCc2cccc(Br)c2O)cc1	764801957	WLAKVEBUUOYTSW-ZDUSSCGKSA-N	407.308	3.841	10	20	HHCD	
O=C(CSc1nccc2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1	764926350	SBZXAZWLGQEDDY-UHFFFAOYSA-N	411.502	3.619	10	20	HHCD	
C[C@H](c1nccs1)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	768529332	SZSFKPCLFJSSNN-QGZVFWFLSA-N	415.563	3.920	10	20	HHCD	
CCOc1ccc(CN2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c(O)c1	769161160	LTTJLLOELFVEBQ-HNNXBMFYSA-N	414.531	3.781	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NC3CCN([C@@H]4CCCC[C@H]4O)CC3)c2C)c1	769316901	PHVASWLGAFRDTG-DNQXCXABSA-N	409.574	3.900	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F	770326880	RHGULUOCWBAGSG-UHFFFAOYSA-N	402.245	3.554	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1)C1CCCCC1	771424630	WPMGSAVDORUFIF-AUSIDOKSSA-N	401.551	3.593	10	20	HHCD	
C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cc(Cl)c(Cl)cc1O	774170338	SDEVZYVHCDXRNH-LBPRGKRZSA-N	423.344	3.647	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c1	775373478	SDEPGWCZBDPZTD-STQMWFEESA-N	412.408	3.827	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H](F)Cc1ccccc1	777947124	MLGUXCUAHKUIML-IBGZPJMESA-N	410.411	3.739	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1	782560654	WWNKXWLXYBPUMS-RBUKOAKNSA-N	416.566	3.922	10	20	HHCD	
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	783317044	SXGQOADSVYXSHB-UHFFFAOYSA-N	424.545	3.723	10	20	HHCD	
Cc1ccc([C@@H](C)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(O)c1C	788615253	XIGMAZFSCWFFBJ-QUCCMNQESA-N	414.521	3.516	10	20	HHCD	
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C	788928873	NTBNMFKTTPTTNL-QGZVFWFLSA-N	422.529	3.928	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCCN(c2ccccc2)C1	789317461	MZJHECNISYZASR-JOCHJYFZSA-N	422.573	3.581	10	20	HHCD	
CC(C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	789854870	FTOZNPHFKQSPFK-VQTJNVASSA-N	417.619	3.577	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CN2CCc3ccccc3C2=O)cc1	789894292	RHSSNBOZBBAJGN-UHFFFAOYSA-N	417.509	3.573	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc([C@@H]3CCCOC3)nn2C)cc1F	790542960	SVHJLVZKDHOWIF-MRXNPFEDSA-N	403.502	3.621	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c1O	790787621	JXCJZPTUKJLKCV-ACJLOTCBSA-N	423.296	3.543	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C(C)=O)cs1	791250360	PTQLXHXPWIJPQT-UHFFFAOYSA-N	402.516	3.953	10	20	HHCD	
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccncc1Cl	791494468	PVFDYYNMYVTPKM-UHFFFAOYSA-N	405.793	3.550	10	20	HHCD	
C[C@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1ccc(N(C)C)cc1	793560542	CKTGVRHEPRSMEP-UPCLLVRISA-N	406.530	3.828	10	20	HHCD	
CC[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCO1	798746949	HMJIYEKMKBEGPM-RGHBXIHOSA-N	424.613	3.757	10	20	HHCD	
Cc1cc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)c(C)n1-c1ccccn1	800686027	ASWCSBPBGIMBTL-JOCHJYFZSA-N	412.493	3.822	10	20	HHCD	
COc1ccc(C2=NO[C@H](CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)cc1C	802298546	SWBVOJBBZQFTAS-JXFKEZNVSA-N	410.518	3.623	10	20	HHCD	
O=C(NCc1cccc(CN2CCCC2=O)c1)NCc1cc(Cl)cc(Cl)c1O	804914656	UEUCTHOQDPCIGV-UHFFFAOYSA-N	422.312	3.821	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)Cc2cccc(Cl)c2)cc1	808544550	PXGJJIACKVGJOC-UHFFFAOYSA-N	404.923	3.593	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(Cc4ccccn4)n3CC(C)C)CC2)cc1	812249896	VAHCXQCZQFCDIT-UHFFFAOYSA-N	420.561	3.645	10	20	HHCD	
COc1ccc([C@@H](O)C2CCN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1	812481765	PUUJLYPGWDEBGN-OAQYLSRUSA-N	402.447	3.571	10	20	HHCD	
COCC[C@@H]1COCCN1C(=O)c1cc(C)n(-c2ccccc2Br)c1C	812743584	DZTSHEIYFJSDPV-MRXNPFEDSA-N	421.335	3.734	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H](c3ccc(OC)c(OC)c3)N(C)C)CC2)cc1	812821346	BRJOFPVKMXDCLZ-JOCHJYFZSA-N	413.562	3.574	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1	916678127	KIKHDZPXDYSSAV-OAQYLSRUSA-N	410.518	3.972	10	20	HHCD	
O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc21	917847847	RXSVPPTXMGBQJW-UHFFFAOYSA-N	408.407	3.560	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCCOC3CCCCC3)cc2F)C[C@@H](C)O1	918198390	IMFYYRCDUXUKCY-QZTJIDSGSA-N	421.557	3.978	10	20	HHCD	
CSc1nccn1-c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	920881057	AJHNTKRFKNVJJG-KRWDZBQOSA-N	422.554	3.922	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC(C)(C)O)cc1	1795797210	DMVNYMUELKDPOD-QQFNCUIESA-N	423.557	3.507	10	20	HHCD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	57376898	GWOUXTYZCQSZIO-HUUCEWRRSA-N	416.541	3.938	10	20	HHCD	
Cc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1C	139821445	MMNVIIQGXFZADV-UHFFFAOYSA-N	405.521	3.849	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCCc1c[nH]c2ccccc12	805152034	GXFSQMLAHWIETK-UHFFFAOYSA-N	407.514	3.751	10	20	HHCD	
CC[C@@H](N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1cc(Cl)ccc1O	806169510	GUFCBUUQOUPYTA-MOPGFXCFSA-N	418.921	3.905	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(-c2ccco2)cc1F	807988139	ANMDCJBKQNXVOP-UHFFFAOYSA-N	423.488	3.817	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1	812277418	VLOMHHKPNMNLQJ-AWEZNQCLSA-N	413.465	3.686	10	20	HHCD	
NC(=O)NC(=O)OCCCSC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814771729	DDRAMAQMRPLKFU-JYRVWZFOSA-N	421.525	3.800	10	20	HHCD	
COc1ccc(C(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)cc1OC	816484137	QKHOGXBMGZUNOT-UHFFFAOYSA-N	406.482	3.521	10	20	HHCD	
O=S(=O)(c1ccc(C(F)(F)F)s1)N(Cc1ccccc1O)C[C@H]1CCCO1	812497915	FHYRWRDVBGTRIY-CYBMUJFWSA-N	421.462	3.842	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cn(C)cn2)c(C)n1-c1cccc(C(F)(F)F)c1	811225802	LPKOFIMRRHCTNF-UHFFFAOYSA-N	405.376	3.886	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1F	727151776	MEBCHJDCFBYWED-IBGZPJMESA-N	401.482	3.774	10	20	HHCD	
COCCOc1cccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c1	726195896	BZJLFYHORCYJGL-JXAWBTAJSA-N	400.525	3.551	10	20	HHCD	
O=C(NCc1ccccc1Cn1cncn1)N(Cc1ccco1)Cc1ccccc1O	726094178	MATLUPVHFPYAQP-UHFFFAOYSA-N	417.469	3.537	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(SC(F)F)c1	727613095	UQTWBZYGBOBHIT-UHFFFAOYSA-N	405.470	3.856	10	20	HHCD	
CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](C)c3cc(OC)ccc3O)cc2)c1C	728978529	RIIVYBITJCTQNG-AWEZNQCLSA-N	423.469	3.563	10	20	HHCD	
O=C(NCc1ccccc1O)NCc1cc(Br)ccc1OC(F)F	726250812	GPOMBMBBQKVWRZ-UHFFFAOYSA-N	401.207	3.756	10	20	HHCD	
CCOC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1	733797104	PQXWBKXUBQVKLM-IRXDYDNUSA-N	420.509	3.538	10	20	HHCD	
CCCCN1CCCC[C@H]1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	731283747	PUOKEEZIJQJBGE-SFTDATJTSA-N	403.567	3.737	10	20	HHCD	
CCCCN1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	731221122	CBAMBCSERVYBPB-KNQAVFIVSA-N	402.583	3.538	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4ccc(F)cc34)cc2F)C[C@@H](C)O1	734319832	BXGAVTUBJJUQJG-HUUCEWRRSA-N	413.468	3.919	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)nnn1-c1ccc(F)c(Cl)c1	731166950	FMOKFQAXHLDYTG-UHFFFAOYSA-N	405.836	3.503	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1nc(C)cs1	730126759	SOAQVPJMZBLRMD-SFHVURJKSA-N	419.570	3.683	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F	734647700	JAYSTPGDRSASGC-UHFFFAOYSA-N	418.423	3.982	10	20	HHCD	
Cc1cc(O[C@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Cl	916732287	DPCYZPABEWIVIC-QGZVFWFLSA-N	402.922	3.911	10	20	HHCD	
C[C@@H]1c2cccn2CCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745904094	LPMMOADEEHMAAD-CVEARBPZSA-N	404.461	3.845	10	20	HHCD	
CCC(=O)N1CCCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	917830007	LKGWONOXAHAKOJ-UHFFFAOYSA-N	401.938	3.761	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](c1ccccc1)N(C)C	745267149	JFPYQMUPNJHJSZ-SFHVURJKSA-N	420.351	3.989	10	20	HHCD	
Cc1cc(N2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)nc(C(C)C)n1	916588426	WWQBCMNNYSYGBZ-UHFFFAOYSA-N	422.577	3.540	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1	917383263	AALDOTQPSRQQEF-QHCPKHFHSA-N	421.566	3.820	10	20	HHCD	
O=C(CCCOc1ccc(F)cc1F)NCc1ccc(N2CCSCC2)cc1	742336060	GIPKZTBISYRHKI-UHFFFAOYSA-N	406.498	3.993	10	20	HHCD	
O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918295604	REXWJYUFAOHWSK-QGZVFWFLSA-N	423.296	3.845	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1	743181639	UEWZQGTTWXHXDC-UHFFFAOYSA-N	405.520	3.988	10	20	HHCD	
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cn2)c(C)n1-c1cccc(Br)c1	912771727	BXTMZSPTZKXEAH-UHFFFAOYSA-N	403.236	3.844	10	20	HHCD	
COc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	918221298	UQXROMWQUSWDLZ-INIZCTEOSA-N	415.509	3.698	10	20	HHCD	
Cc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)ccc1N1C(=O)CCC1=O	743157833	MMBMBLJNQKDOCQ-UHFFFAOYSA-N	407.470	3.555	10	20	HHCD	
CCOc1ccccc1N1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O	914436920	DODXFZVRPQOOKQ-LJQANCHMSA-N	421.541	3.695	10	20	HHCD	
COc1cccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	742749118	CRYLOAVJLVFFMB-FQEVSTJZSA-N	413.518	3.757	10	20	HHCD	
CCCCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2C1=O	915197942	LBDLVMVTPHCKOE-UHFFFAOYSA-N	405.498	3.613	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Sc1ccccc1	743553214	HJUYGRPUCMWWOU-MRXNPFEDSA-N	403.523	3.642	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(N2CCCCCC2)c1	741097084	KNRUHLAKEWKLHR-UHFFFAOYSA-N	418.541	3.698	10	20	HHCD	
COc1ccc(N(CC(=O)NCCc2cnn(-c3ccccc3)c2)CC(C)C)cc1	746169998	KSXSVACJUNFURY-UHFFFAOYSA-N	406.530	3.702	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2ccccn2)no1	746314799	YQJDVCRZBVMJIX-CQSZACIVSA-N	414.412	3.737	10	20	HHCD	
C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	920230821	YZUIIVHJVURFSO-ZIAGYGMSSA-N	406.438	3.926	10	20	HHCD	
Cc1cc(S(C)(=O)=O)cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C	759382318	XAJDYWHMAZVFCP-UHFFFAOYSA-N	413.495	3.848	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@@H](C)COCc3ccccc3)CC2)cc1F	753861409	JDVZZXQTZOGZRW-GOSISDBHSA-N	415.509	3.519	10	20	HHCD	
CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1C[C@@H](C)O[C@H](C)C1	921202830	HADSEOSYHYTXRS-VIZSFHNOSA-N	401.595	3.769	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccccc2OC)cs1	757552264	UTQZPVRIJFHCNA-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
O=C(C[C@H]1CSCCS1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	751841750	ITIQSAFKFKDIOE-INIZCTEOSA-N	402.532	3.612	10	20	HHCD	
Nc1nc(CN(Cc2ccccc2O)C2CCCC2)nc(Nc2ccc(F)cc2)n1	751479572	RPJROJCUZATKQW-UHFFFAOYSA-N	408.481	3.987	10	20	HHCD	
C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Br)ccc1O	756797872	WIQFPEHZYGULJZ-LBPRGKRZSA-N	411.321	3.868	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(C(c3ccccc3)c3ccccc3)no2)c1	758275169	ZVDSHNBNULDGHQ-UHFFFAOYSA-N	421.478	3.994	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(C)o4)n3)CC2)cc1F	753744323	JMPZIALQWJIQSC-UHFFFAOYSA-N	415.490	3.751	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(F)c(Br)cc2F)cc1	756962143	YYUABYBSEZMDPW-UHFFFAOYSA-N	419.291	3.614	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(OC[C@H]2CCCCO2)CC1	750279439	NIPHDBSBMAWHPL-JOCHJYFZSA-N	401.551	3.547	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3cc4c(cc3O)CCCC4)C2=O)c1	756736040	KXKWLAAGYVUDNW-IVZQSRNASA-N	410.514	3.744	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3F)c2)CC1	750847517	YZZKDHXCLWIDFA-UHFFFAOYSA-N	409.383	3.799	10	20	HHCD	
C[C@H](NCCCc1nnc2n1CCCCC2)c1ccc(N2CCOCC2)cc1Cl	765662173	QCWXSJNSBKPLHA-KRWDZBQOSA-N	417.985	3.778	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3cnc(C4CCC4)s3)SC2=S)cc1	760215805	MGNPZQPHUIDBJW-ZSOIEALJSA-N	401.538	3.915	10	20	HHCD	
C[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	765868564	PGXPWHCNCUVVLC-FUHWJXTLSA-N	407.530	3.712	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C2CC2)cc1	761796277	CUGZLIIGITVVDE-HSZRJFAPSA-N	420.557	3.618	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(N2CCCCC2)c(F)c1	765932644	UJBYSWMWEYKVSA-PKOBYXMFSA-N	410.537	3.844	10	20	HHCD	
CN1CCN(c2ccc(CNCCCc3nc(-c4ccncc4)cs3)cc2)CC1	771846322	MBLZOZOPJGLFGD-UHFFFAOYSA-N	407.587	3.679	10	20	HHCD	
COc1cc(NC(=O)C(=O)NCCCSc2nccs2)cc(OC)c1C(C)C	779167179	OZTPIXKYBAXHJR-UHFFFAOYSA-N	423.560	3.521	10	20	HHCD	
Cc1cc(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)c(C)n1-c1ccc(Cl)cc1	773664417	KFJPRCUSSOKABQ-UHFFFAOYSA-N	408.951	3.787	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1	777826728	RLWXELIQRKZYPD-UHFFFAOYSA-N	419.909	3.690	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)cc1	779490856	FYPRKQXFTNLFAJ-WLRTZDKTSA-N	424.478	3.859	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)N(C)CC4)cc2F)C[C@H](C)O1	776033184	FUUNGBHLWLYNMR-HOTGVXAUSA-N	412.509	3.753	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(c4nc(-c5ccccc5)no4)CC3)cc2)CC1	775681291	ONVDCLASCWMASX-UHFFFAOYSA-N	417.557	3.868	10	20	HHCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl	775288622	ZSZSZWYTRLFJMZ-UHFFFAOYSA-N	409.769	3.652	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1cc(F)c(Cl)cc1Cl	774945527	AHWSFXWVDRDOJV-LLVKDONJSA-N	412.292	3.692	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccnc3Br)CC2)cc1	770283685	PDGFWHMPBOLRMB-UHFFFAOYSA-N	405.296	3.643	10	20	HHCD	
Cc1ccncc1[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	771425293	ZXWTUFYHHNKHDC-HNNXBMFYSA-N	422.451	3.806	10	20	HHCD	
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773083298	FDILOWOSVRJOAN-QGZVFWFLSA-N	417.575	3.664	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCCc3ccccc3)cc2Cl)C1	774458188	KZQCVZUOEJGPQD-KRWDZBQOSA-N	413.949	3.551	10	20	HHCD	
CCc1ccc([C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C(C)C)cc1	785492597	CXRMLNYLMBAYAF-HSZRJFAPSA-N	407.558	3.979	10	20	HHCD	
CCOc1ccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1	785745153	OUDBVYSVANTCML-GOSISDBHSA-N	411.546	3.767	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)cc(OC)c1	784026147	DRYMKFPBYDWLFO-UHFFFAOYSA-N	421.291	3.541	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc2ccccc2s1	783240129	NMWNVNFCELDIMM-MRXNPFEDSA-N	400.569	3.987	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(O[C@H]3CCOC3)cc2)cc1	789918545	CSHSYZCDGJKFFU-ZEQRLZLVSA-N	424.541	3.742	10	20	HHCD	
Cc1nnc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)s1	780812937	DAANDDCPDNIWBU-UHFFFAOYSA-N	405.321	3.947	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1	781041620	KAFKXBHVJWCKKO-INIZCTEOSA-N	405.502	3.909	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1[C@@H](C)C1CC1	783318316	WXMLYSMYEVYHOR-KRWDZBQOSA-N	411.550	3.604	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(N)c2c3c(sc2n1)CCCC3	795158123	RQOOUWADDBVPHT-UHFFFAOYSA-N	423.586	3.621	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H]1CCCN1C1CCCCC1)c1ccc(N2CCOCC2)cc1	798061067	SLMJGYZQLWBGTM-CVDCTZTESA-N	414.594	3.681	10	20	HHCD	
Cc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)S(C)(=O)=O)cc1	798074303	XJWCBRVDHDISHS-CBGDNZLLSA-N	417.575	3.596	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3C)n2)cc1	1339574364	GEGZPJKZWBMWGC-UHFFFAOYSA-N	419.503	3.695	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=COCC2)cc1	1803289389	JBXKNTXPJNDNFY-UADZTWIMSA-N	419.525	3.650	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccc(O)cc3)c2C)cc1	10536303	NFMQXQICRFGPHF-UHFFFAOYSA-N	421.449	3.555	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)c(C)n1-c1ccc(F)cc1	31305058	ALBIHDLQBYEHTK-UHFFFAOYSA-N	423.473	3.703	10	20	HHCD	
CCc1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1S(N)(=O)=O	195717958	VMBSPODGFFJCTD-UHFFFAOYSA-N	411.527	3.865	10	20	HHCD	
Cc1c(CNC(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)n(C)c2ccccc12	460677667	LUZXSPDURBHWIS-DEOSSOPVSA-N	409.505	3.763	10	20	HHCD	
CC[C@@H](NC1CCN(CCC(=O)N(C)C)CC1)c1cc(Cl)cc(Cl)c1O	806139355	OGCPNQJHCSESPH-QGZVFWFLSA-N	402.366	3.682	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCC(C)(C)c3cccs3)cc2)CC1	805023316	SAPMUHVSVZEBHC-UHFFFAOYSA-N	413.587	3.695	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)cc1	809579927	IJFFXQKPVRSFKG-YTFSRNRJSA-N	422.525	3.565	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1	806313425	QKRLKELABNPWCJ-UHFFFAOYSA-N	408.951	3.617	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1c(C)[nH]c2ccccc12	804140851	XPNAAYGSILVAKZ-UHFFFAOYSA-N	407.514	3.670	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2nc3ccccc3s2)cc1	804168273	XXNYBWJZLVAHBM-MRXNPFEDSA-N	424.570	3.978	10	20	HHCD	
CN(CCc1cccc2ccccc12)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807292574	TZNGJCIRYSZATC-UHFFFAOYSA-N	413.521	3.533	10	20	HHCD	
CN(Cc1cnn(C)c1)C(=O)CNc1cc(Cl)ccc1C(=O)c1ccc(F)cc1	809195742	VXVHIBIPARXDEK-UHFFFAOYSA-N	414.868	3.514	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC1(F)F	811864994	RBFLCAXPEYEMRG-CYBMUJFWSA-N	421.410	3.729	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](Cc2ccc(Br)cc2)C1	817768418	KMZACIBSHXXYCH-LWAXHKBTSA-N	402.288	3.965	10	20	HHCD	
CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2cccc(OC)c2O)CC1	729547314	GPHUVCOYIMUGIL-UHFFFAOYSA-N	418.925	3.518	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1F	731347169	OJBQHQQIKGUUST-UHFFFAOYSA-N	414.477	3.722	10	20	HHCD	
CCCC(O)(CCC)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	739004111	MRDZYYLCJBRTIX-UHFFFAOYSA-N	413.509	3.887	10	20	HHCD	
COc1ccccc1CC(C)(C)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	733028752	ZRVWNJANXJISCL-UHFFFAOYSA-N	412.530	3.532	10	20	HHCD	
CC(C)n1ccc(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)n1	735123370	COTHUFLNQLZZKT-UHFFFAOYSA-N	419.393	3.505	10	20	HHCD	
COc1ccc(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1F	917817568	AUYZIDAWQWQWQJ-UHFFFAOYSA-N	404.397	3.660	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3cccc4cccnc34)cc2F)C[C@@H](C)O1	918632658	AOCMQTAHHSCDLF-CALCHBBNSA-N	407.489	3.846	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCC[C@@H](C)N(C)Cc3ccccc3)CC2)cc1	746775134	UWGCHCJKFWWZOY-OAQYLSRUSA-N	424.589	3.828	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](C)Oc2ccccc2OC)cc1F	743598100	IBNJTWZQDHRWNG-INIZCTEOSA-N	403.498	3.947	10	20	HHCD	
CCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	918408491	QGEZQNMQJUCZDL-UHFFFAOYSA-N	421.501	3.805	10	20	HHCD	
COc1ccccc1C1(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	749125629	XRPSJJIJNYKXFQ-CALCHBBNSA-N	412.505	3.796	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC(C(=O)NCC(F)(F)F)CC3)c2C)c1	915269702	YHDUQLLFDLHPBI-UHFFFAOYSA-N	421.463	3.933	10	20	HHCD	
CCOc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	849212053	RVUMZBMEKVREEF-UHFFFAOYSA-N	401.418	3.878	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1C	745994913	SXVSNZIAJLXVBO-UHFFFAOYSA-N	402.516	3.819	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1	915341231	POTWDTIJOVLBPB-UHFFFAOYSA-N	424.545	3.715	10	20	HHCD	
CC(=O)c1cccc(OCCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	746780068	PCUPUHWKSOYXHE-SFHVURJKSA-N	410.514	3.762	10	20	HHCD	
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	914614252	WVQYJYDEBFNLEQ-KRWDZBQOSA-N	405.454	3.876	10	20	HHCD	
O=C(NC1CCN(C2CCCCC2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1	747593008	RVWPBLUTYHSEHR-JOCHJYFZSA-N	415.578	3.880	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799541	LECLIOOPWDMGQM-HOCLYGCPSA-N	408.420	3.980	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1	920924451	AZZVGNZDBAXIQW-CYBMUJFWSA-N	422.312	3.646	10	20	HHCD	
COc1ccc([C@H]2CCCN2C(=O)CN(C)c2ccc(OC)cc2OC)c(OC)c1	752123801	WWODMYFPNBHMHP-LJQANCHMSA-N	414.502	3.521	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)NCCCSc2nccs2)N2CCCC2)c1	759537837	JKQYDUCMCDXJET-GOSISDBHSA-N	420.604	3.770	10	20	HHCD	
CCOC(=O)[C@@H]1CCCN(C(=O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)C1	757286906	RVTXHORKLGKJCL-DENIHFKCSA-N	424.541	3.757	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1C	751355677	HCILTVTYOHHQFF-UHFFFAOYSA-N	403.500	3.621	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	751135988	CCEYJWOJDFPVRQ-UHFFFAOYSA-N	420.487	3.833	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(C[S@](=O)c2ccccc2)c1	755022713	WWEYBXBBPKQGMB-LJAQVGFWSA-N	410.495	3.770	10	20	HHCD	
CC(C)CO[C@@H]1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	759575811	TWORIFPYZTVAIW-LJQANCHMSA-N	411.493	3.713	10	20	HHCD	
C[C@@H](Nc1ccc(N2CC[C@@H](N(C)C)C2)cn1)c1ccc(Br)cc1O	756858168	QZSCDDHUJBSYHG-CZUORRHYSA-N	405.340	3.863	10	20	HHCD	
C[C@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)NC(=O)C1CCCCC1	751300245	UEXPJOJTJRXRCS-MRXNPFEDSA-N	405.502	3.810	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)CC2)cc1F	753739638	UKBOCWGKEJVIFJ-UHFFFAOYSA-N	413.493	3.588	10	20	HHCD	
C/C(=C/c1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	758576782	LXWNQKAZNGKHTR-UIRWJGRMSA-N	411.933	3.761	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)N2CCSCC2)cc1	750878467	HUTPARMHAHTSNH-SFHVURJKSA-N	413.587	3.732	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCCCSc1nccs1)c1nc(-c2ccncc2)no1	759576858	ZRGRCUGAIUQERR-CQSZACIVSA-N	418.548	3.767	10	20	HHCD	
Cc1cc(CC(=O)N[C@H](CO)Cc2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1	757670547	CDSRMWGFFOJVDX-FQEVSTJZSA-N	412.917	3.715	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(C3OCCO3)c2)cc1	758012554	NAKJHUSJARPRLS-JOCHJYFZSA-N	410.514	3.619	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)c(F)c3)SC2=S)cc1	754681121	YNJDIJVDPGAKPU-RIYZIHGNSA-N	424.425	3.932	10	20	HHCD	
C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1cc(Br)cc(F)c1O	756511538	OYTYLCSVUAFRNB-LLVKDONJSA-N	416.312	3.689	10	20	HHCD	
CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)[C@@H](c1ccc(C)cc1)n1cncn1	756769073	JFGYHQRYMGUFDP-QGCDCVKKSA-N	408.502	3.798	10	20	HHCD	
CN(Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1)C(=O)OC(C)(C)C	761651532	PFXPBHOTGYNJLZ-UHFFFAOYSA-N	415.490	3.829	10	20	HHCD	
COc1ccc(C(=O)NCc2cccc(Br)c2O)c(OC(F)F)c1	765732747	SFMKAAOIZUSNHK-UHFFFAOYSA-N	402.191	3.695	10	20	HHCD	
COc1ccc(C)nc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	765301971	QNJSVVIJYRRVIK-UHFFFAOYSA-N	424.423	3.576	10	20	HHCD	
CCOC(=O)CN(Cc1ccccc1)Cc1cc(Br)cc(OC)c1O	768238181	XKGXBVJCGCUPPB-UHFFFAOYSA-N	408.292	3.729	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1csc(-c2ncccc2F)n1	768343613	ZBDOLUHOYRFEJW-UHFFFAOYSA-N	414.531	3.827	10	20	HHCD	
O=C(COc1ccccc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1	764196804	GKQSWELGCGLGBE-MRXNPFEDSA-N	420.303	3.741	10	20	HHCD	
COc1cc([C@@H](C)NCc2ccc3c(c2)CCCN3C)ccc1S(=O)(=O)C(F)F	765479716	JGRFRRBRXYDTDP-CQSZACIVSA-N	424.513	3.925	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1	761967961	RHRAZSMVSMQYBK-HUUCEWRRSA-N	415.465	3.661	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1	764946104	JSPWICZQIFRXPD-FQEVSTJZSA-N	419.566	3.516	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c(C)n1-c1cccc(F)c1	766953694	OGVHYFPXYUVRLE-NZQKXSOJSA-N	424.520	3.738	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)c2C)cc1	766954237	YAQFTJSLYQTYFK-ISKFKSNPSA-N	420.557	3.907	10	20	HHCD	
COc1c([N+](=O)[O-])ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)c1O	772178807	PLDYVGYNBKYXKA-GOSISDBHSA-N	403.822	3.939	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c(C)c1O	775288043	MLCOMTYCHCMYOJ-UHFFFAOYSA-N	415.265	3.789	10	20	HHCD	
CN1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)c2cc(Br)ccc21	1115961523	WHHMTBCTEVGLCK-MHWRWJLKSA-N	417.278	3.942	10	20	HHCD	
O=C(NCCc1ccccc1OC(F)F)NCc1ccc(N2CCSCC2)cc1	788096931	XOBFTTOHUYOOIG-UHFFFAOYSA-N	421.513	3.883	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783327818	OZPNJXWYHKXLQP-UHFFFAOYSA-N	419.529	3.622	10	20	HHCD	
O=C(COC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1ccc(O)c(O)c1	789042758	KAZOJDZRRXLIFT-UHFFFAOYSA-N	401.321	3.603	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)cnc1Br	788501938	OUYUJEDPKVZQQP-UHFFFAOYSA-N	404.308	3.773	10	20	HHCD	
O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)O[C@@H]1C=CCC1	780562188	JNOSSLZJLSTOMM-OZYJXZHSSA-N	424.341	3.912	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2	788725408	HIPKFVUSCGTVSY-FQEVSTJZSA-N	413.562	3.892	10	20	HHCD	
COc1cc(Br)cc(CN[C@H]2CCCN(C3CCCCC3)C2=O)c1O	785549159	SMSACUVWIPIWEQ-INIZCTEOSA-N	411.340	3.577	10	20	HHCD	
O=C(OCc1ccccc1)[C@H](CNCc1cc2c(cc1O)OCO2)c1ccccc1	786827747	MXSMVBBJYFOCNI-HXUWFJFHSA-N	405.450	3.738	10	20	HHCD	
CCOC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1	784060295	CGVWPZSWDSFZFV-UHFFFAOYSA-N	409.486	3.750	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)c(O)c1	794378170	PYEOACFVXCSHFS-LBPRGKRZSA-N	406.276	3.689	10	20	HHCD	
Cc1cn2nc(NC[C@@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)sc2n1	795227084	MGRRTMUZPKNDOU-MRXNPFEDSA-N	416.551	3.843	10	20	HHCD	
OC1CCN(c2ccc(CNCc3c(F)cccc3Br)cc2F)CC1	792929849	DCRMQKVQHOGNRD-UHFFFAOYSA-N	411.290	3.978	10	20	HHCD	
COc1cc(I)c(Cl)cc1CNCc1ccccc1O	795579327	RUXCVGMGQPESCE-UHFFFAOYSA-N	403.647	3.949	10	20	HHCD	
CCC[C@]12CCCN1C(=O)N([C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)C2=O	794777740	QLBCJLYHUVCSSX-IIBYNOLFSA-N	407.461	3.854	10	20	HHCD	
CCCCOc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	793540558	LGRILUMZCUPOCN-IBGZPJMESA-N	416.587	3.951	10	20	HHCD	
CC(C)OC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCO1	799995584	PABUKRYFGLGAGA-HKUYNNGSSA-N	423.985	3.912	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)cc1	39212117	KBVNTCPFPZJQAI-UHFFFAOYSA-N	421.497	3.841	10	20	HHCD	
C[C@@H](Nc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(N2CCOCC2)cc1	65280484	RPQCDCXFBVOJAD-QGZVFWFLSA-N	400.486	3.801	10	20	HHCD	
COc1ccccc1CN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1	139976645	ZWIYFGBVTCSXRJ-SFHVURJKSA-N	409.530	3.967	10	20	HHCD	
CCN(Cc1cccc(F)c1)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	302831626	CCSOMHVHWAJDIO-OAQYLSRUSA-N	400.494	3.561	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[C@H](C)N(c4ccccc4)C3=O)ccc21	460522759	JOGKKLMATYCNBQ-KSFYIVLOSA-N	419.525	3.828	10	20	HHCD	
COc1cccc2c1OCC[C@H]2NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	726273716	INWSPTHPDYXDGS-PKOBYXMFSA-N	412.486	3.615	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	728020653	YFSMMRLRWIVYMT-DDLKFKMNSA-N	415.603	3.893	10	20	HHCD	
CN(C)c1ccc(CN(Cc2c(O)nnn2-c2ccccc2)CC(F)(F)F)cc1	728903935	BESMKAVPQKTJPR-UHFFFAOYSA-N	405.424	3.603	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)c1	729535939	WXKVOQIJNIUKDK-CABCVRRESA-N	402.516	3.647	10	20	HHCD	
Cc1nc(CC(C)C)sc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	731224430	FBKULEPXZXGRHJ-UHFFFAOYSA-N	405.539	3.680	10	20	HHCD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	732249309	ODJNWMOVLWCEDU-FQEVSTJZSA-N	416.610	3.565	10	20	HHCD	
Cc1sc(=O)n(CCC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1C	734591992	AOFHXVRBKXKQSL-UHFFFAOYSA-N	412.511	3.750	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1	739688328	OMTCNRUDEVLTBR-UHFFFAOYSA-N	403.408	3.624	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](O)c1ccccc1C(F)(F)F	740919616	DCNIMMWQSHPHQP-LJQANCHMSA-N	405.420	3.614	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@H](c3ccccc3)C(C)C)CC2)cc1	742491667	OGKRAUOQMYXAPR-DEOSSOPVSA-N	409.574	3.763	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cs1	743045906	FFWIPJQAIUDIDK-UHFFFAOYSA-N	416.452	3.737	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1C	743046549	XNJYZPCOTMCPLD-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
Cc1ccc(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	743605104	SOLQFYOOKRDUNR-KRWDZBQOSA-N	404.461	3.502	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Oc2ccncc2)cc1	743958419	WALAFBLWXMCULN-UHFFFAOYSA-N	417.465	3.713	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H](c2cc[nH]n2)C1	745905675	PTOKRHWYNVETOU-JKSUJKDBSA-N	419.476	3.569	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2ccccc2F)C(C)C)c1	746032588	AHAINXSAQDQURL-UHFFFAOYSA-N	414.521	3.977	10	20	HHCD	
COc1cccc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1O	746239278	CVJLYTGTBLXXEK-QGZVFWFLSA-N	400.475	3.673	10	20	HHCD	
Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2)n1	748634627	RIPQAQJEKMXYMH-HXUWFJFHSA-N	418.541	3.876	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1[N+](=O)[O-]	750987072	IIZYDGUTMGBVLL-UHFFFAOYSA-N	404.264	3.888	10	20	HHCD	
Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751931860	UKAYNLDAEJXKFI-MRXNPFEDSA-N	423.538	3.529	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3Br)CC2)cc1F	754842079	OJIXMYCTOOZFMN-UHFFFAOYSA-N	407.283	3.868	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3cc(F)cc(F)c3O)CC2)cc1	756359745	QQGQRDYQMZJJOE-INIZCTEOSA-N	405.489	3.542	10	20	HHCD	
COc1cc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)ccc1OCC(=O)N(C)C	756477095	XALMOTKMDWKAKD-INIZCTEOSA-N	412.530	3.597	10	20	HHCD	
C[C@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1O	756597735	OQNKYXGXIUNCAV-AWEZNQCLSA-N	416.474	3.973	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3sccc3C)CC2)cc(OC)c1OC	759219396	AQKWBUBUMHRYTN-DLBZAZTESA-N	416.543	3.535	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c1	762539189	WBQCDSGOXHJLMV-GFCCVEGCSA-N	401.850	3.914	10	20	HHCD	
COc1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc(OC)c1OC	764949110	ZUSGKNKMHWKKFK-IAGOWNOFSA-N	400.519	3.961	10	20	HHCD	
Oc1cc2c(cc1CN1CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C1)[C@@H](O)CO2	768452792	SJSBMDOOCIZYPO-PKOBYXMFSA-N	414.260	3.837	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2cccc(Cl)c2)cc1	768879863	AHAQLNGSYKSENT-BENRWUELSA-N	414.936	3.904	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)CC(F)(F)F)c(C)n1-c1cccc(Br)c1	771196830	NIEOMXMCPJYQJS-CYBMUJFWSA-N	419.241	3.900	10	20	HHCD	
COCCOc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Cl)c1	771438384	VRIBLUZAKSSWNZ-SFHVURJKSA-N	419.905	3.892	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Br)cc2cccnc12	773766694	FDUAQYODBCIBHQ-LLVKDONJSA-N	401.260	3.770	10	20	HHCD	
C[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)cc1	776971985	IXTXEEQESOWHIV-MRXNPFEDSA-N	400.906	3.702	10	20	HHCD	
C[C@H](O)c1cn(C2CN(C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)C2)nn1	779565747	FXBCAFKGGNIDLU-HNNXBMFYSA-N	419.489	3.510	10	20	HHCD	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)nc3)SC2=S)cc1	780142557	GFRZUJWQYVEWDZ-GDNBJRDFSA-N	400.481	3.673	10	20	HHCD	
C[C@@H]1C(=O)CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1(C)C	780935826	LQQGWGNCNAQVGJ-OLMNPRSZSA-N	406.954	3.768	10	20	HHCD	
CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1c1cc(F)ccc1O	781864032	OEMQKMKPABEYOU-GOSISDBHSA-N	401.438	3.623	10	20	HHCD	
CCOC1CC(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	788765456	IPGSJJUVTFVYIS-UHFFFAOYSA-N	411.493	3.761	10	20	HHCD	
C[C@H](O)C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	790763443	CWFMCAQEEBFVQO-JZXOWHBKSA-N	411.493	3.592	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(OC)c(OC)c1	791245690	DRKPRLVHXHZPQE-UHFFFAOYSA-N	414.502	3.706	10	20	HHCD	
COC(=O)c1c(F)cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F	801843370	AQPRHRUQTQZENU-HNNXBMFYSA-N	420.412	3.670	10	20	HHCD	
Cc1ccc([C@@H](C)N(C)C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1	803309469	XQUUVGOTDMPTPI-WOJBJXKFSA-N	423.557	3.537	10	20	HHCD	
CC[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(C(F)(F)F)cc1O	810213102	LUHXCBFHZOUOGC-WMZOPIPTSA-N	404.498	3.660	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCN2c3ccccc3C[C@@H]2C1	811864467	BCLSWYISOZMQPZ-JOCHJYFZSA-N	422.598	3.586	10	20	HHCD	
O=C(CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1)NC1CCOCC1	814772319	TUFFXGVHOIUJCU-SXGWCWSVSA-N	418.565	3.900	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCCc1nccs1	819519259	QORCQWCZYQZSKZ-UHFFFAOYSA-N	403.548	3.854	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N(CC)CC)cc1	916503210	YXIIRSMXNFSYLK-QFIPXVFZSA-N	423.557	3.853	10	20	HHCD	
COc1ccccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1F	920193073	VZTMJYZHEPOSKF-UHFFFAOYSA-N	424.428	3.929	10	20	HHCD	
O=C(NCc1ccc(-n2ccnc2)c(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	920238958	PEFVVPJJBFMJMX-IBGZPJMESA-N	424.476	3.608	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c(C)n1-c1ccccn1	921077254	GVIMJOHBLYATNZ-SFHVURJKSA-N	403.404	3.971	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)SC1=S	23390314	SPGXQUKIIRUZGI-NTUHNPAUSA-N	406.466	3.609	10	20	HHCD	
CCCCOc1ncccc1CNC(=O)NCc1ccc(N2CCSCC2)cc1	63616099	LILRKSXEWQQNEG-UHFFFAOYSA-N	414.575	3.813	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(N2CCOCC2)cc1	140929597	RMBOUVXEENQLST-IIBYNOLFSA-N	413.493	3.936	10	20	HHCD	
Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cs2)o1	145671530	YEWLODCJNVOXFU-MRXNPFEDSA-N	411.527	3.968	10	20	HHCD	
Fc1cc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)ccc1N1CCOCC1	237806883	POHFDKMNMHKRKB-UHFFFAOYSA-N	412.505	3.993	10	20	HHCD	
C[C@@H](NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)cc1	302833120	LNMRBZCOGPGRAY-OXQOHEQNSA-N	402.922	3.904	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1	728953274	WQHRSYKGSPAGQM-CVEARBPZSA-N	403.548	3.735	10	20	HHCD	
COc1ccc(OC(C)C)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	730384604	SSXKGUFIECXQIJ-UHFFFAOYSA-N	413.518	3.983	10	20	HHCD	
CN(C(=O)COC(=O)c1cc(O)cs1)[C@@]1(c2ccccc2Cl)CCCCC1=O	731911210	GFSXZBVWXMEORF-HXUWFJFHSA-N	421.902	3.761	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1	734407252	KCHMWBMBNOHMCB-LJQANCHMSA-N	417.962	3.546	10	20	HHCD	
CC/C(=C\C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C)cc1	741543293	IMTIQEOIAMAZEI-GFCAVMEOSA-N	405.542	3.807	10	20	HHCD	
CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n1	742735017	FUKIPJPIRWNJGK-INIZCTEOSA-N	412.490	3.855	10	20	HHCD	
COc1cccc(CNC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c1O	745683657	YYBCVXRKNUYARL-UHFFFAOYSA-N	419.481	3.961	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1)c1ccc(N2CCOCC2)cc1	745779651	PPCIZTFSLYKTDK-RBUKOAKNSA-N	419.529	3.830	10	20	HHCD	
Cc1cc(C(=O)NCCOc2ncccc2C(F)(F)F)c(C)n1-c1ccccn1	747051100	QGMAVQKHLPAGLG-UHFFFAOYSA-N	404.392	3.712	10	20	HHCD	
CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3COC)cc2F)CC1	747218331	SXOMAEHEARHVRX-UHFFFAOYSA-N	402.470	3.634	10	20	HHCD	
CCC(C)(C)OCc1cccc(NC(=O)C(=O)NCc2cccc(OC)c2O)c1C	749649155	JFXGWUXMLMLTKB-UHFFFAOYSA-N	414.502	3.669	10	20	HHCD	
CC(C)c1nc2cc(NC(=O)C(=O)NCCCSc3nccs3)ccc2o1	749730730	TWFXAMCCERECFO-UHFFFAOYSA-N	404.517	3.645	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3occc3COc3ccccc3)CC2)cc1F	753740081	ZPOZDAIDRZZUNU-UHFFFAOYSA-N	410.445	3.969	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1	755412855	NLMOESAJZHWCJA-UHFFFAOYSA-N	420.915	3.822	10	20	HHCD	
CC(C)[C@H](NC(=O)CN(C)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2	756654639	WRUSYPHFLMOCSM-QHCPKHFHSA-N	412.486	3.526	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)Cc3ncc(-c4ccccc4)[nH]3)CC2)cc1	764355418	YIKMTSMEEWRUQG-UHFFFAOYSA-N	419.529	3.896	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)c(C)c1	765927576	UPWPQWURRDWCCS-UHFFFAOYSA-N	421.291	3.507	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C	766046740	BUKXMRFKDJUTEP-UHFFFAOYSA-N	405.863	3.543	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ncnc4c3cnn4C(C)(C)C)cc2F)C[C@H](C)O1	766403714	VPJCFJINPXYVRA-GJZGRUSLSA-N	412.513	3.946	10	20	HHCD	
Cc1nn(CC(=O)NCc2cccc(Br)c2O)cc1-c1ccccc1	768305279	UTKHZCUVIRXGLP-UHFFFAOYSA-N	400.276	3.643	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c[nH]nc1-c1cccc(OC)c1	769378246	ARBRTHRKTAYBAU-UHFFFAOYSA-N	415.877	3.620	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1	769598178	DDOXPTUKLKRCJK-UHFFFAOYSA-N	408.785	3.688	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCc3cccs3)cc2F)C[C@@H](C)O1	769712801	LYNFNPNOGQQFHA-IYBDPMFKSA-N	405.539	3.933	10	20	HHCD	
CCO[C@H]1C[C@](CO)(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1(C)C	773775471	HMHQINNDAOARNT-WMZHIEFXSA-N	424.501	3.723	10	20	HHCD	
CCCCN1CCc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc21	773859524	VONCFXYCWMJRPB-KRWDZBQOSA-N	408.546	3.731	10	20	HHCD	
COc1c(Br)cccc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O	773906112	FJPGAGAGUKDKSI-FLIBITNWSA-N	416.318	3.524	10	20	HHCD	
C[C@H](NC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1)c1ccc(N(C)C)cc1	773989191	OHORAGYKAUIZMW-RDJZCZTQSA-N	409.559	3.851	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H](c1ccccc1)C1CC1	774387222	CGZXLOBUWPFEHP-HSZRJFAPSA-N	405.542	3.903	10	20	HHCD	
C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(N2CCSCC2)cc1	775772922	IBPZYAFRSROQFS-LJQANCHMSA-N	412.603	3.560	10	20	HHCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cc(Cl)ccc1OC[C@@H]1CCCCO1	777647913	INRJWPONMVVIKB-AWEZNQCLSA-N	415.870	3.933	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1	779351661	NPMHLOQEYMTODE-UHFFFAOYSA-N	411.483	3.857	10	20	HHCD	
COc1cccc(CN2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c1O	779612359	YBEGVGOTPPISQC-NRFANRHFSA-N	407.514	3.836	10	20	HHCD	
COCCn1cc2c(n1)[C@@H](NC(=O)c1cc(C)n(-c3ccc(F)cc3)c1C)CCC2	780434743	RAOKDSQRTBWWAI-NRFANRHFSA-N	410.493	3.884	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)c(O)c1O	780961838	ULIUWLWXGCHWNO-UHFFFAOYSA-N	404.507	3.658	10	20	HHCD	
CN(C)CCc1ccccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784108330	MJUCQJFJTBTNAY-UHFFFAOYSA-N	408.546	3.535	10	20	HHCD	
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)OCC(=O)c1ccc(O)c(O)c1	787008567	CNLJFSSFMLLRJV-UHFFFAOYSA-N	417.870	3.767	10	20	HHCD	
C[C@H](NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccc(N2CCOCC2)cc1	788564155	QFAHZJRGYRASHX-KRWDZBQOSA-N	401.551	3.573	10	20	HHCD	
C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1c1ccccc1	788911001	MLUPKVRJLZZCHC-AUSIDOKSSA-N	405.542	3.555	10	20	HHCD	
CCCC[C@H](CCC)NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	789825492	MHCVLUDKZPVBBL-LMMKCTJWSA-N	421.557	3.531	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1C(F)(F)F	790068059	LCXCQUCYPQUPSR-UHFFFAOYSA-N	417.405	3.924	10	20	HHCD	
COc1ccccc1-n1nccc1/C=C1/SC(=S)N(CCc2ccccn2)C1=O	797398414	MYMHYNYZKNWADU-XMHGGMMESA-N	422.535	3.720	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)c(C)n1-c1cccc(Cl)c1	800621844	AOZGHTKWVLGKDV-SFHVURJKSA-N	408.951	3.787	10	20	HHCD	
Cc1cc(-c2nnc(N3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)n2C)c(C)n1-c1ccccc1	800742618	XIFGXGZTGFJQEC-WVMBUTMQSA-N	421.545	3.662	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCNS(=O)(=O)/C=C\c1ccccc1	801545503	QPDFQDLYXYHWGJ-VKAVYKQESA-N	416.543	3.501	10	20	HHCD	
Cc1cc(C(=O)NCCC2(O)CCOCC2)c(C)n1-c1ccc(Br)cc1	804331213	LJVGKSAHXAJJHL-UHFFFAOYSA-N	421.335	3.518	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nc(C)cs1	804882408	HWLZXBGUNSXYTI-IBGZPJMESA-N	414.575	3.572	10	20	HHCD	
C[C@H](CCOCc1ccccc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	806673483	JEPKKEFQUBYUTK-OAHLLOKOSA-N	402.878	3.805	10	20	HHCD	
CC(=O)N1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc21	807030303	KIAGLCOEAYGBQH-INIZCTEOSA-N	408.285	3.996	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)ccc1OC(C)C	807386857	MRYPTQBOLFQKDK-UHFFFAOYSA-N	421.291	3.505	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC(F)(F)[C@@H](C)C1	810044819	QFFSPUHWXNYQFC-KBPBESRZSA-N	412.436	3.766	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)cc(Cl)n3)CC2)cc1F	810491091	YQGCLHKWXIUMMT-UHFFFAOYSA-N	417.790	3.864	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@](CO)(Cc2ccccc2)C1	813080548	DOXHVIBBJXQSSN-VWLOTQADSA-N	405.542	3.590	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	813719975	QIPMRYOGSMNJGW-XKGZKEIXSA-N	416.566	3.855	10	20	HHCD	
COc1ccc(OC)c([C@H](O)CNC(=O)c2sccc2-n2c(C)ccc2C)c1	917514219	ZNGJNLGUNBYZIK-GOSISDBHSA-N	400.500	3.636	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)C1	918117771	INQKWCBVOYKAIP-UGKGYDQZSA-N	424.520	3.574	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Br)cc2)C2CC2)cc1	918455143	GKBORGHXRNJMNH-UHFFFAOYSA-N	416.319	3.645	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n[nH]1	919550049	QSBDNCZGWGWVEP-UHFFFAOYSA-N	403.385	3.767	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)sc2c1CCCC2	59170339	RJGPFNUTEKNEGQ-ZDUSSCGKSA-N	404.532	3.533	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1	97012990	MJVWDCCTHDYXAA-UHFFFAOYSA-N	424.936	3.642	10	20	HHCD	
C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccc2c(c1)CCCN2C	304001932	KGTKXCJFYIUKTA-CQSZACIVSA-N	403.320	3.915	10	20	HHCD	
COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc(OC)c(F)c2)C(C)C)c1	725816070	GQCTUQMHYJXXFT-OAHLLOKOSA-N	404.482	3.944	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c(F)c1	727249694	CETMRGZZRNTAJY-UHFFFAOYSA-N	412.439	3.906	10	20	HHCD	
O=C(NCc1ccccc1O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1	727487016	XRJYTOUKTLKHSW-UHFFFAOYSA-N	416.886	3.776	10	20	HHCD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	727733028	YUEBUUCHMWFIJZ-SBUREZEXSA-N	419.566	3.784	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccc(C)s3)cc2F)CC1	730120649	SQTDCCNTDNSVCL-MRXNPFEDSA-N	404.555	3.898	10	20	HHCD	
CO[C@@](C)(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1	730174834	OXTAKVGGGFFVES-SAHWJRBASA-N	400.494	3.617	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3ccc(Br)cc3F)ccc21	732255196	KRTHUJVNOBXAAG-UHFFFAOYSA-N	406.299	3.970	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCc1ccc(NS(C)(=O)=O)cc1	732330464	TXQAENUSOFBCAI-UHFFFAOYSA-N	404.513	3.884	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N[C@H](c3ccccc3C)C3CC3)CC2)cc1	732823949	IUVLMOIBLURSRS-DEOSSOPVSA-N	422.573	3.576	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2Cc2ccccc2C)c1	734143460	CJXDJJLKEDHDFU-RUZDIDTESA-N	422.569	3.943	10	20	HHCD	
COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1	734525308	ZGZGNDGRGMCPLO-GOSISDBHSA-N	416.953	3.801	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1	741211589	ITDNYHFVRZCECH-HXUWFJFHSA-N	402.583	3.569	10	20	HHCD	
COc1ccc(Br)cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	741543350	BKGWQESLTIKUOD-AWEZNQCLSA-N	419.319	3.785	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)n1	742390629	KHJBKNDMUNPHEL-HNNXBMFYSA-N	412.465	3.572	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cc1F	742652869	CNJWXNHATMLDAN-UHFFFAOYSA-N	418.900	3.785	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1cnccc1-c1ccc(C(F)(F)F)cc1	743902322	YOUFFSMITWHHEX-UHFFFAOYSA-N	415.371	3.728	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)Oc3ccc(CCC(C)=O)cc3)CC2)cc1	745054230	HUNOYGCXHJWHNB-HXUWFJFHSA-N	424.541	3.723	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)c1O	745483245	RDFAUWJOZXBJKM-QZTJIDSGSA-N	411.546	3.878	10	20	HHCD	
COCCOc1ncccc1CNC(=O)N(Cc1ccccc1O)C1CCCCC1	745514386	YHHMZTYRMSMCOZ-UHFFFAOYSA-N	413.518	3.857	10	20	HHCD	
C[C@H](CCc1cccc(F)c1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	745583748	NPVSRVVHDNVAOL-QGZVFWFLSA-N	400.494	3.662	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C	745827325	FKVBUGJLHMVTTP-IBGZPJMESA-N	404.555	3.602	10	20	HHCD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	746598851	MSLJHFGKRQSCKA-UHFFFAOYSA-N	418.366	3.737	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)c(C)n1-c1ccc(F)cc1	747210622	LIZJGDMBPLDJBN-KRWDZBQOSA-N	407.493	3.791	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1(CC)CC	749556150	XGZZYHBZAKHPGN-LEWJYISDSA-N	421.557	3.570	10	20	HHCD	
C[C@]1(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO[C@H]1C1CC1	753198147	ILVYZPAUBGVJLW-YWMUFLPLSA-N	409.477	3.514	10	20	HHCD	
Cc1cc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Cl	754325944	SZQKEIGQFGCBHE-UHFFFAOYSA-N	401.938	3.857	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccn(Cc2ccccc2)c1=O	755855340	AJVGSYQITCJPMU-UHFFFAOYSA-N	403.482	3.803	10	20	HHCD	
CC(C)N1CC[C@@H](N[C@H](C)c2cc(Br)cc(Br)c2O)C1=O	756710121	UZVQXQQQOAIBGL-NOZJJQNGSA-N	420.145	3.577	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc3c(c2)CCCN3C)c(O[C@H]2CCOC2)c1	758728654	KVGFBJXQQHAHKH-NRFANRHFSA-N	409.530	3.545	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3cnn(CC(F)(F)F)c3)c2C)cc1	763840525	SOVOQVYAHXWJNR-UHFFFAOYSA-N	406.408	3.792	10	20	HHCD	
C[C@@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1	764881406	REMRGQOQZFLMTJ-BFUOFWGJSA-N	409.313	3.741	10	20	HHCD	
CCNC(=O)c1cccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	765381114	FHHNRNAOPCMOPC-MRXNPFEDSA-N	401.938	3.777	10	20	HHCD	
C[C@@H](NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(N2CCCCCC2)cc1	765626489	OERUYVWIYRMLSQ-OFNKIYASSA-N	400.611	3.660	10	20	HHCD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(Br)c1O	768162023	JACGMEKVYIIYKH-UHFFFAOYSA-N	420.307	3.574	10	20	HHCD	
COc1ccc(Cl)cc1C[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768448688	WIGXJMBBTATEOP-JLTOFOAXSA-N	403.906	3.935	10	20	HHCD	
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCS[C@H]2COCC[C@H]21	769346517	UDEMMSOEESVAJF-MJGOQNOKSA-N	404.557	3.930	10	20	HHCD	
Cc1cc(CC(=O)NC2CCN([C@H]3CCOC3)CC2)c(C)n1-c1ccc(Cl)cc1	771036795	CZEJSNHDOVBQCM-QFIPXVFZSA-N	415.965	3.660	10	20	HHCD	
CCC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1	772829326	ZLSOVLWLGJVWCY-UHFFFAOYSA-N	416.480	3.932	10	20	HHCD	
Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773855877	HNDKQEIPTHBURR-ZDUSSCGKSA-N	404.308	3.639	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1O	775091551	ZMOCKZNBIVAWLO-GFCCVEGCSA-N	408.838	3.990	10	20	HHCD	
CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O	775365538	WBKJPVWUTWBEBY-CHWSQXEVSA-N	420.531	3.879	10	20	HHCD	
C[C@@H](NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	775404216	MAZYKGJDNARXHT-OZHVRZOASA-N	414.509	3.796	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775831399	RNZZBVBIHSEVSH-GOSISDBHSA-N	419.573	3.581	10	20	HHCD	
Cc1cc(C(=O)N(C)C2(C(N)=O)CCCC2)c(C)n1-c1ccc(Br)cc1	778395488	PPLPQNRNEQHKTC-UHFFFAOYSA-N	418.335	3.727	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1	779497842	DFGIECBJAQIFJM-WZUFQYTHSA-N	406.413	3.819	10	20	HHCD	
Cc1nc([C@H]2COCCN2C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)no1	779695724	VOTCSIDNAVIPQB-GOSISDBHSA-N	400.866	3.653	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2c(O)ccc3c2CCCC3)C1	780935213	GLQOYXLABUZLMG-FDDCHVKYSA-N	400.519	3.534	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCN(C2CCC2)C1	781361589	AYNDZTHBGHFNGQ-QUCCMNQESA-N	416.635	3.692	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCCN(C(=O)C4CC4)CC3)c2C)cc1	781931867	GVVBSPZZHRQXEH-UHFFFAOYSA-N	423.557	3.620	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)CCO2)c1ccc(N)cc1	783487571	WXYYKSLHGJMZOD-MRXNPFEDSA-N	401.466	3.937	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1	784109418	RNMQDKRSWCXCSK-JOCHJYFZSA-N	423.513	3.598	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1	784286002	HFMBGGUYFCCSTI-KXFIGUGUSA-N	406.225	3.742	10	20	HHCD	
Cc1cccc(Oc2ccccc2NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	785295851	JISJBZYOVBMRBS-INIZCTEOSA-N	420.465	3.884	10	20	HHCD	
CC[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1	785384597	CZBPGVGTLKHNIF-OAQYLSRUSA-N	407.558	3.945	10	20	HHCD	
COc1cccc([C@H]2C[C@@H](C)CN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	788933372	PKBCULKKKURGDC-WZONZLPQSA-N	421.541	3.521	10	20	HHCD	
CCc1nc(C)c([C@H](C)N(C)C(=O)C(=O)NCc2ccc(N(CC)CC)cc2)s1	788952624	ZVPXIMCUEIMELE-INIZCTEOSA-N	416.591	3.696	10	20	HHCD	
Cc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc(Br)ccc3O)C2=O)cc1	790749408	WIPIIEKIUZRRNF-KBXCAEBGSA-N	403.320	3.915	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	794238892	OGFBRZUZEWCDAA-HOTGVXAUSA-N	416.541	3.692	10	20	HHCD	
COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c(O)c1	795356387	BJGKCQHNONDRAG-UHFFFAOYSA-N	411.907	3.712	10	20	HHCD	
COCc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	795556964	QGLIYTGWRHNMHN-UHFFFAOYSA-N	404.532	3.879	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](c3ccccc3)C(OC)OC)ccc21	798267745	BGPIZWJWWZPRGI-QFIPXVFZSA-N	410.514	3.995	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	799201053	OUXQWMDWIQGSQE-KPKJPENVSA-N	418.309	3.743	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CCN(C4CC4)C3)cc2Cl)C1	799940011	RLXJDNIVTOGYNW-SJLPKXTDSA-N	404.986	3.860	10	20	HHCD	
C[C@@H](N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	800506049	QMGMFFDSZGUAJM-AUSIDOKSSA-N	421.516	3.916	10	20	HHCD	
CCOCCOc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	805136016	ZAHJHIDVZGBUFG-UHFFFAOYSA-N	420.314	3.593	10	20	HHCD	
Cc1cccnc1[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C	805873960	WXHLZWRLFSZZLY-QFIPXVFZSA-N	422.573	3.852	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2csc(-c3ccccc3)n2)cc1	806853864	PTTOXWYVBXGNRB-UHFFFAOYSA-N	408.527	3.911	10	20	HHCD	
COc1ccc([C@@H](C)CCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	807413009	ZIQQMEJTAAOPFC-SFHVURJKSA-N	423.557	3.562	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)c1ccc(N(C)C)cc1	807677708	RWNYREXWAHJDJL-UZUQRXQVSA-N	405.542	3.998	10	20	HHCD	
C[C@@H]1[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCN1C(=O)OC(C)(C)C	807840757	JABMJCSPXMHASE-MFKMUULPSA-N	403.306	3.961	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1	813561612	ZXKCDHVBBCQNIP-GOSISDBHSA-N	416.566	3.874	10	20	HHCD	
Cc1cc(CCNC(=O)NCc2ccnc(-n3cccn3)c2)c(C)n1-c1ccccc1	914828099	PMGYCMHOTVMNIO-UHFFFAOYSA-N	414.513	3.717	10	20	HHCD	
C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1	920868774	BFKWZFYZFBUHEL-ZDUSSCGKSA-N	415.342	3.870	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc4cnn(C(C)C)c4nc3C)CC2)cc1	1116351752	FGQBTWVVEQJKKN-UHFFFAOYSA-N	407.518	3.682	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cc(OCC(F)F)ccn2)cc1	1320742322	VQINKLRTPHJWOK-UHFFFAOYSA-N	406.477	3.913	10	20	HHCD	
Cc1cc(-c2nnc([C@@H](NS(C)(=O)=O)C(C)(C)C)o2)c(C)n1-c1ccccc1	1322099000	LUCUPBBNVDQJSC-QGZVFWFLSA-N	402.520	3.781	10	20	HHCD	
CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)CCCCC1	1800719189	XCAFLFDRFXXREM-MUJYYYPQSA-N	420.937	3.973	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccn(-c3cccc(F)c3)n2)cc1	110148187	UCFJVIWIOZPCEV-QFIPXVFZSA-N	422.504	3.899	10	20	HHCD	
COc1cc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)c(C(N)=O)cc1OC	195732106	NAQCEGFBYUASHS-UHFFFAOYSA-N	407.470	3.771	10	20	HHCD	
C[C@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1	237551908	ACFAJMSRMRUYLM-RBUKOAKNSA-N	403.567	3.821	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)s1	472233951	RKFLQXZEWWOCGO-UHFFFAOYSA-N	424.570	3.961	10	20	HHCD	
NC(=O)c1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)cc1N1CCCCC1	802653270	ZSHHAWRZWPNPDX-UHFFFAOYSA-N	404.854	3.655	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1CCN(c2ccncc2)CC1	807068895	UDSIVWMAGIURBX-UHFFFAOYSA-N	409.317	3.810	10	20	HHCD	
CCCCc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1	807386724	GICBNRGDYROQQZ-UHFFFAOYSA-N	405.292	3.752	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	802237015	WJDZUNQEFPSSJY-JOCHJYFZSA-N	423.557	3.938	10	20	HHCD	
C[C@@H](NC(=O)Nc1cc(F)c(N2CCOCC2)cc1F)c1ccc(N(C)C)cc1	806742419	IRQAFWKMZPQRBZ-CQSZACIVSA-N	404.461	3.750	10	20	HHCD	
C[C@H](NCc1cn2ccc(Br)cc2n1)c1ccc(N2CCOCC2)cc1	810134401	BETSJTIONZYPLN-HNNXBMFYSA-N	415.335	3.784	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCN(c4ccccc4F)C3=O)ccc21	487566917	CYJOLSLAPKOYIH-FQEVSTJZSA-N	423.488	3.579	10	20	HHCD	
CCOC(=O)Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)[nH]c2ccccc12	816866841	YVYXWLSMQNRAEE-UHFFFAOYSA-N	405.498	3.804	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c1	729049635	KSXVVJMMVJYRCX-ZDUSSCGKSA-N	405.882	3.833	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(-c2ccc(O)cc2)n1	728603239	SKEQICADFVWFIO-UHFFFAOYSA-N	423.538	3.654	10	20	HHCD	
Cc1ccc(CCC(=O)NCCOC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	727051165	BZUHXNPVJRXQFQ-UHFFFAOYSA-N	405.498	3.703	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc3c(cc2Br)OCCO3)c1	729034030	AWGOBIPRIOEVLS-SNVBAGLBSA-N	423.263	3.817	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(F)c(NC(C)=O)c3)CC2)cc1	726697670	BEWSBMRBWRCSNU-UHFFFAOYSA-N	400.454	3.583	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CCc4c(C)cccc43)CC2)cc1	729587487	UKHIJLSZNYXUPW-DEOSSOPVSA-N	422.573	3.502	10	20	HHCD	
O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1Cc1cccs1	824025936	FGQSKWAVQLNFIA-VIZOYTHASA-N	402.501	3.869	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1	734704021	WIIRURSLHGTJLQ-UHFFFAOYSA-N	404.470	3.503	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CSc4ccccc43)cc2F)C[C@@H](C)O1	735633712	UOHHECQOXYMHOS-RVKKMQEKSA-N	400.519	3.945	10	20	HHCD	
Cc1ccc(C)c(N2N=C(C(=O)NCCCSc3nccs3)CCC2=O)c1	733879666	VCRVDRFGKLYAMQ-UHFFFAOYSA-N	402.545	3.541	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1	734703251	KCUKFLANLFPFEQ-UHFFFAOYSA-N	412.490	3.579	10	20	HHCD	
CSC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	737995669	QROKDRRCYHGQDS-SFHVURJKSA-N	411.365	3.700	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(N2CCOCC2)cc1	919766717	LOMVSVQKNZDBRW-UHFFFAOYSA-N	424.932	3.660	10	20	HHCD	
CN(CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)C(=O)OC(C)(C)C	734237120	QDKNAPKZTUDTSO-UHFFFAOYSA-N	403.445	3.510	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c2C)c1	739817095	QZAJAAVNZYXTFP-UHFFFAOYSA-N	403.408	3.669	10	20	HHCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	913093357	UUUKMZJCLDLWQD-UHFFFAOYSA-N	416.450	3.980	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)Cn3cc([N+](=O)[O-])nc3C)c2C)c1	744653114	ZQTSLEDZDFHHPN-UHFFFAOYSA-N	424.457	3.550	10	20	HHCD	
Cc1cc(-c2csc(CC(F)(F)F)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	748449972	PCLIFUIYMGRQEL-UHFFFAOYSA-N	415.462	3.970	10	20	HHCD	
CCCC[C@H](CC)CNC(=S)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	917596437	YDWWVKURRRIKES-PKOBYXMFSA-N	404.624	3.569	10	20	HHCD	
Cc1csc(C(C)(C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1	744402792	GVYIYYRJUJSILD-UHFFFAOYSA-N	419.506	3.690	10	20	HHCD	
O=C1OCCN1c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1	741136318	QFGRRMQHSWQDJM-UHFFFAOYSA-N	415.515	3.824	10	20	HHCD	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	915847477	IVCTXXVKLKXIJS-UHFFFAOYSA-N	405.546	3.693	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccccc1SC(F)(F)F	749731673	XTBVEBGWCNSJTC-UHFFFAOYSA-N	421.491	3.992	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(N2CCSCC2)cc1	740906206	BTIXLTFGDLJAFA-UHFFFAOYSA-N	408.571	3.615	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)cc2F)CC1	745808944	OQOXJEOJULZPJQ-SLFFLAALSA-N	402.558	3.736	10	20	HHCD	
CCn1nc(C)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1Cl	741925043	MNGWVWZTHIJHBP-UHFFFAOYSA-N	412.868	3.865	10	20	HHCD	
O=C1/C(=C/c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1c1cccnc1	741851901	HLRHAYYFZZEUOP-RZNTYIFUSA-N	408.407	3.818	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1O	748049605	LWYYKCVVJJENOP-UHFFFAOYSA-N	401.894	3.802	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CNC(=O)CC2CCCCC2)cc1	748708195	XFHWAJIFVNCWGN-UHFFFAOYSA-N	411.546	3.961	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)C2CC2)cc1	918454842	DVVPTYLAHLQJMA-UHFFFAOYSA-N	424.520	3.622	10	20	HHCD	
Cc1cc(=O)oc2cc(OCC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc12	914438344	PXXKQGKSJIYILT-UHFFFAOYSA-N	406.482	3.737	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCN(Cc2ccc(F)cc2)CC1	740919162	DXRBMUOCBYDJPC-UHFFFAOYSA-N	408.521	3.619	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)c1O	745787516	YMHSGLCLBIRUJR-UHFFFAOYSA-N	402.454	3.739	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)COc3cc(C)on3)c2C)c1	921158419	QCCFDLATNJMVKN-UHFFFAOYSA-N	414.483	3.917	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(CCC(F)(F)F)cc3)ccc21	753551749	ABLPUKVKCWTGIN-UHFFFAOYSA-N	419.447	3.819	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@@H](CO)c3ccc(C(F)(F)F)cc3)ccc21	759346218	VZNHKEQENFGYES-SFHVURJKSA-N	407.436	3.621	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1F	753555948	YPYLXBURHXZVKZ-UHFFFAOYSA-N	411.399	3.642	10	20	HHCD	
C[C@H](N[C@H](C)CO[C@H]1CCOC1)c1cc(Br)cc(Br)c1O	756641055	RTZLHYSDWGPGJO-SCVCMEIPSA-N	423.145	3.762	10	20	HHCD	
Cc1ccc([C@H](C)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(O)c1C	756733307	OOKNJSQQXPYOBD-SFHVURJKSA-N	402.560	3.654	10	20	HHCD	
C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1cc(Br)cc(Br)c1O	756783192	FKONFPGJBZZQTQ-KSBSHMNSSA-N	421.051	3.881	10	20	HHCD	
Cc1cccc(CS(=O)(=O)CCC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	857507121	BFZZZUHKEMRUBS-UHFFFAOYSA-N	416.326	3.629	10	20	HHCD	
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1O)C[C@@H]1CCCO1	759676019	OJXQIVMJRRXPIC-SFHVURJKSA-N	409.442	3.532	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](c2ccccn2)c2ccccc2OC)c1	760863758	UNUNXGPEBABQNK-IVZQSRNASA-N	407.470	3.954	10	20	HHCD	
C[C@H]1CCS(=O)(=O)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	762515540	UKCXYCYSRPCEPA-INIZCTEOSA-N	414.531	3.817	10	20	HHCD	
Cc1ccc([C@@H](CNC(=O)NCc2cccc(Br)c2O)N2CCCC2)o1	764768876	IYERJNHXFLLRAI-MRXNPFEDSA-N	422.323	3.692	10	20	HHCD	
COc1cc([C@H](C)NCc2ccc(N(C)C)cc2C)ccc1S(=O)(=O)C(F)F	766027904	AGXFHJNUCCPRTA-AWEZNQCLSA-N	412.502	3.917	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCCC1	765784765	VSKVFHXOUULFEL-IBGZPJMESA-N	414.594	3.794	10	20	HHCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	778113091	DIUTZWYEGVQSDC-GHTZIAJQSA-N	424.501	3.961	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(Cl)ccc1O	775503751	NOHXQNIKUTXTHZ-IBGZPJMESA-N	408.951	3.521	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN[C@H](C)[C@H]2CCOC2)sc(C)c1-c1ccccc1	771812249	LMQYEYNBKMWXLP-PBHICJAKSA-N	416.543	3.853	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1	773767421	LMMSPNBLZGNSNR-CYBMUJFWSA-N	411.404	3.968	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1	780051623	UNGQKWNCVMZFKB-UHFFFAOYSA-N	417.513	3.664	10	20	HHCD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)OCC(=O)c1ccc(O)c(O)c1	783989998	ZJRPOTHLNFFLBW-UHFFFAOYSA-N	414.845	3.653	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccc(-c2ccco2)cc1F	788940576	XPIQSZHUPWMALK-UHFFFAOYSA-N	421.472	3.619	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)Cc3ccc(OC)c(OC)c3)CC2)cc1	781154385	NWOOPNCRQKBIFB-QGZVFWFLSA-N	412.530	3.676	10	20	HHCD	
Cc1nccnc1N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	799573025	ZOIASFHTTYMZSO-UHFFFAOYSA-N	413.319	3.729	10	20	HHCD	
Cc1noc(C)c1C(C)(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	797460071	NIQUBMYPFVXPND-HNNXBMFYSA-N	407.461	3.956	10	20	HHCD	
C[C@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cc(F)cc(F)c1O	793559330	KJFJHZJCKBJNTA-AMXDTQDGSA-N	415.440	3.746	10	20	HHCD	
CC(C)c1ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)[nH]1	1318844573	HSFNFANNZMPGCE-KRWDZBQOSA-N	415.538	3.595	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@](O)(C3CC3)C2)c(C)n1-c1ccc(Br)cc1	1321094217	KAKSVMQNHLIADR-FQEVSTJZSA-N	403.320	3.844	10	20	HHCD	
Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O	1320163758	VAYADAOCNIATJY-SFHVURJKSA-N	422.529	3.841	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccccc3)cc2F)C[C@H](C)O1	108455769	RLDVIYAWDMXGEV-HOTGVXAUSA-N	408.477	3.759	10	20	HHCD	
CCOCCCNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	108627989	QIUKYFSCDWCROA-UHFFFAOYSA-N	420.513	3.898	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)c1nn2cc(-c3cccnc3)nc2s1	302200598	UZTUHWOXQCGNTO-KRWDZBQOSA-N	407.499	3.744	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NCc3ccccc3N3CCOCC3)C2)cc1	237914794	CPWYJIYIOJTFES-LJQANCHMSA-N	417.500	3.883	10	20	HHCD	
CCN(CC(=O)NCc1cccc(Br)c1O)Cc1ccccc1Cl	807416526	HTHIBESOMDMVMI-UHFFFAOYSA-N	411.727	3.946	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)n(C)c2ccccc12	471198482	GATZKSUTOSAWIO-HZPDHXFCSA-N	407.518	3.817	10	20	HHCD	
CC(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807836204	RPCCBQIGHRZIKZ-UHFFFAOYSA-N	402.299	3.811	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c1	802553455	AZSJXDJXINRGFW-AWEZNQCLSA-N	423.444	3.726	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)[C@@H]3OCCc4sccc43)CC2)cc1	814108978	ZTGLZTZHDHGOSS-BTYIYWSLSA-N	400.544	3.792	10	20	HHCD	
Cc1cc2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c(C)n2n1	728839672	VPKBZKGALJADFM-UHFFFAOYSA-N	405.424	3.617	10	20	HHCD	
Cc1ccc([C@@H](O)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726722425	RPIQZOKAOKVMNP-FQEVSTJZSA-N	419.472	3.598	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(-c2nnc(S)o2)cc1	820005799	DGYXEYOKLYYIPN-UHFFFAOYSA-N	414.450	3.987	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cnc(-c3ccccc3)nc2)SC1=S	727176070	FUXAJVYZAXQEKF-YVLHZVERSA-N	412.584	3.933	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C[C@H](c1ccccc1)C(F)(F)F	728658793	YDVSUWNABXWIHY-LJQANCHMSA-N	422.447	3.990	10	20	HHCD	
C[C@H](NC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	734665252	XDHZROAUQOPHKP-RDPSFJRHSA-N	422.573	3.895	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1	732475387	BVNSQXPGTFBIAK-UHFFFAOYSA-N	414.550	3.831	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc4c(=O)n(C)c(S)nc4c3)c2)CC1	739754796	WMKTVHIWCVJALX-UHFFFAOYSA-N	408.527	3.711	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)ccc1F	737378971	FSXKMADGIDAJQR-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1F	731408438	KXLOSHISFJTNEN-UHFFFAOYSA-N	411.399	3.946	10	20	HHCD	
CC(C)OCCCNC(=O)C1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	738076079	KYRNTVINZIGUIV-UHFFFAOYSA-N	406.567	3.539	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@@H]2CCOC2)c(C)n1-c1ccccc1Br	731652254	MBACZHUTVLLTGW-MRXNPFEDSA-N	421.335	3.640	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)c1	918199090	MNJKAMTZNZLMBZ-YBEGLDIGSA-N	405.522	3.505	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCC(=O)c3ccc4c(c3)CCC4)CC2)cc1	918369195	ONBJPHGYWVSOSK-UHFFFAOYSA-N	406.526	3.886	10	20	HHCD	
CCC(CC)C(=O)N1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	918082901	HFWQITPKZBZCIJ-UHFFFAOYSA-N	414.594	3.854	10	20	HHCD	
COc1cc(N(C)CC(=O)N(C)Cc2c(F)cccc2Cl)cc(OC)c1OC	741798912	NFHPSRFJXBNDAE-UHFFFAOYSA-N	410.873	3.600	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1	746159525	VVFOREFPORQPTP-UHFFFAOYSA-N	403.910	3.628	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21	914505495	ITPRPCSONXTDIH-SFHVURJKSA-N	409.530	3.694	10	20	HHCD	
Cc1ccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1	916400059	OFRSBPITUPWORY-MHWRWJLKSA-N	417.581	3.749	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccccc1I	741056000	ZOMQVLHCKWLLNQ-UHFFFAOYSA-N	419.266	3.989	10	20	HHCD	
Cc1ccccc1[C@@H](CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C)NC(N)=O	914446282	WWISNKWRFSYVFQ-HSZRJFAPSA-N	418.541	3.861	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1cc2ccc(Cl)nc2cc1F	746404513	LOTXMHXGGKOVDC-UHFFFAOYSA-N	417.940	3.945	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)cc1F	741688213	WDJQTBKXYQGVIT-HXUWFJFHSA-N	421.463	3.834	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3cc(-c4ccccc4)no3)CC2)cc1F	753919865	QCURHYDJESQFFE-UHFFFAOYSA-N	410.449	3.521	10	20	HHCD	
C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cc(Br)cc(F)c1O	756430472	IOUWDFFPEYVJSG-OLZOCXBDSA-N	424.314	3.765	10	20	HHCD	
COc1ccc(N(C)Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)c(OC)c1	752123539	FCGZSTSBIPLEBP-UHFFFAOYSA-N	418.540	3.867	10	20	HHCD	
C[C@H](CNC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1	751930896	JLKKILFYNPEZDM-HZPDHXFCSA-N	423.538	3.781	10	20	HHCD	
C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1ccc(Br)cc1O	756585898	OFLTYFFSGZARNX-VIFPVBQESA-N	405.218	3.726	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1NCc1ccco1	763936309	CCSBCZQJHWFQDZ-UHFFFAOYSA-N	423.488	3.922	10	20	HHCD	
COc1cc(Cl)cc(CN2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c1O	761207254	ZHNNDEIQBQPXRD-MRXNPFEDSA-N	414.811	3.746	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1	765302635	CVYUYLHDTZMOBB-QZTJIDSGSA-N	401.576	3.997	10	20	HHCD	
COc1cc(Br)cc(CN2CCCN(C(=O)c3ccccc3)CC2)c1O	768527632	ULBOHDVGGPUETF-UHFFFAOYSA-N	419.319	3.511	10	20	HHCD	
COC(=O)c1cn([C@H]2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)nn1	760909711	ADKFQMICVHATPJ-SFHVURJKSA-N	419.445	3.959	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(-c3ncco3)cc2)cc1	766576698	JGVITRNILNPPPL-UHFFFAOYSA-N	406.486	3.785	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1	761666485	ZOVBHTONBJIXBW-VGOFRKELSA-N	411.502	3.972	10	20	HHCD	
Cc1cc(C)n(-c2ccccc2CNC(=O)NCc2ccc3c(c2)CCCN3C)n1	760840843	NZNAVPNMZKHGGG-UHFFFAOYSA-N	403.530	3.871	10	20	HHCD	
CCc1nn(C)c(Cl)c1C(=O)N(CC)Cc1cc(Br)ccc1O	767711214	JNBSGDOFKVOUCD-UHFFFAOYSA-N	400.704	3.766	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-n2cccn2)cc1	768912814	RHQUVVNYHNTTID-LJQANCHMSA-N	410.905	3.626	10	20	HHCD	
COC(=O)C[C@]1(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CCCOC1	771657451	MMXKOXPATBLKRF-OAQYLSRUSA-N	404.894	3.590	10	20	HHCD	
COc1cc(O)c(CNc2ccc(NC(=O)CCN3CCCCC3)cc2)cc1OC	775756909	HQJYNGPHIMDMRS-UHFFFAOYSA-N	413.518	3.836	10	20	HHCD	
COc1ncc(/C=C/C(=O)N(CC(F)(F)F)c2ccc(Br)cc2)cn1	776315643	UIEGNRQSXYASJI-FARCUNLSSA-N	416.197	3.856	10	20	HHCD	
COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1cccc(C(F)(F)F)c1	775012574	RIQKHMOJXHEJSG-AWEZNQCLSA-N	400.353	3.805	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)cc1F	772475962	IZRYUAKCHXCJCA-UHFFFAOYSA-N	424.501	3.693	10	20	HHCD	
Cc1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1NC(=O)c1ccccc1F	783114199	ZVLQUHOGECFMLY-UHFFFAOYSA-N	423.396	3.837	10	20	HHCD	
Cn1cc(-c2csc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)n2)cn1	780707031	RFLJLZHRIKBTPC-UHFFFAOYSA-N	406.386	3.502	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2)Cc2ccco2)cc1	788939029	HVIPVWHWVFGKON-UHFFFAOYSA-N	419.525	3.971	10	20	HHCD	
CNC(=O)C1(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)CC1	781897725	VRFOOMXTGAPFPC-UHFFFAOYSA-N	412.490	3.821	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1	784023980	HUKSEQJTTCBWLK-UHFFFAOYSA-N	418.497	3.833	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NC3CCN(c4nccs4)CC3)C2)cc1	781516729	AXQZAMDBAYUEQY-INIZCTEOSA-N	408.518	3.972	10	20	HHCD	
CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@@H]1CCC(C)(C)C1	794273168	CZQXRXZADMXBKU-CQSZACIVSA-N	408.545	3.905	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	792218681	ANEZNVOZNWHRLW-UHFFFAOYSA-N	422.312	3.639	10	20	HHCD	
COc1ccc(C[C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1OC	796701897	IQRKDYWYXHNQHQ-MRXNPFEDSA-N	416.537	3.833	10	20	HHCD	
CC(C)C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1nc(-c2nc[nH]n2)no1	793031398	CVYAXSAWIFRCBK-OAHLLOKOSA-N	423.443	3.817	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c(C)n1-c1ccc(F)cc1	794297857	WIEGDXXQINHPJD-UHFFFAOYSA-N	424.407	3.681	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccc(N3CCCC3)cc1)n2C	1248718962	KLMNFZFWEBPXPF-UHFFFAOYSA-N	412.559	3.871	10	20	HHCD	
O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)Nc1c(Cl)ccc2nonc12	1346941314	QURPPPKBJNTDAA-UHFFFAOYSA-N	414.830	3.910	10	20	HHCD	
C/C=C(\C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1	1781754534	ZSHMJNXDQBBGMR-IWHNFWPPSA-N	421.541	3.504	10	20	HHCD	
Cc1ccccc1-n1c(C)nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=S	7317544	AHDDZMQWXINHJC-UHFFFAOYSA-N	423.586	3.946	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=S)Nc3ccc(C)c(F)c3)CC2)cc1	18946306	MHXPOMZVGXXCSK-UHFFFAOYSA-N	416.566	3.641	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	140956472	QJYHLJHKSQRYBO-IBGZPJMESA-N	410.562	3.930	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1	195565161	JNLPXBAJCUPYBH-UHFFFAOYSA-N	405.546	3.826	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCCNC(=O)c3cccc(F)c3)c2C)cc1	303517804	PPXDLPVHPIOMOR-UHFFFAOYSA-N	423.488	3.792	10	20	HHCD	
Cc1c(CNC(=O)[C@H]2CCCN2c2ncnc3sccc23)n(C)c2ccccc12	471238810	MGXMWJBOGDXYFO-GOSISDBHSA-N	405.527	3.777	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)n(C)c2ccccc12	510385081	RVMQMEHTODNZHF-HKUYNNGSSA-N	407.489	3.695	10	20	HHCD	
COc1ccc(OC)c(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)c1	546938132	MZWABIZHSYBLRP-UHFFFAOYSA-N	407.451	3.637	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccco2)n(C)c2ccccc12	557935929	ZONDLQRXZNDXGB-UHFFFAOYSA-N	405.454	3.518	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1	725856694	UVJLOAFIMWIYMG-HZPDHXFCSA-N	418.563	3.902	10	20	HHCD	
Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(C)c(O)c2O)ccc1Br	727005035	DGCQMPKQAYQCQE-NSHDSACASA-N	408.248	3.661	10	20	HHCD	
Cc1ccc([C@H](NC(=O)COC(=O)c2ccc(C)c(O)c2O)c2cccs2)cc1	727005452	PUHSDGVKFIWRHU-IBGZPJMESA-N	411.479	3.839	10	20	HHCD	
Cc1cc(C(=O)CN2CCn3cnnc3C2)c(C)n1-c1ccc(Cl)c(Cl)c1	730006640	RYIBYEZDBHPJDW-UHFFFAOYSA-N	404.301	3.691	10	20	HHCD	
C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)ccc2O1	730072656	HBUAONAXKQFFLP-LLVKDONJSA-N	416.480	3.663	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C3CCCC3)cc2F)CC1	730135097	QZCCDSTXYLBMIN-NRFANRHFSA-N	402.558	3.832	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccccc2OCC(=O)N2CCCC2)cc1F	731360913	PWSWOHJYKXUPNP-UHFFFAOYSA-N	413.537	3.963	10	20	HHCD	
CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccc(N(C)C)cc1C	734470371	BWFPSRAHQRXTMD-OAQYLSRUSA-N	413.587	3.537	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](CCN(C)C)C(C)(C)C)cc2F)C[C@@H](C)O1	734859087	VCDVEOHIUSILDZ-FVJLSDCUSA-N	422.589	3.605	10	20	HHCD	
CC1CCN(c2ccc(CNc3ccc(S(=O)(=O)NCC4CC4)cn3)cc2)CC1	742406409	YHEXQWRJZUOTTP-UHFFFAOYSA-N	414.575	3.618	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)n2)NC(=O)OC(C)(C)C)cc1	742752166	ZHEJHVCHKQDWLW-KRWDZBQOSA-N	418.925	3.797	10	20	HHCD	
Cc1noc2ncc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12	742801029	WSBRBRPUBAHASC-CQSZACIVSA-N	402.401	3.531	10	20	HHCD	
CC(C)(C)C(=O)NCc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	743338894	LXZYEIJASOQGEZ-OAQYLSRUSA-N	424.541	3.876	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H]3CCCc4ccccc43)CC2)cc1	743363905	XIDFEGVZYWIYCV-XMMPIXPASA-N	422.573	3.536	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1nc(-c2cccs2)cs1	746783304	KRIIBDQWUADIAP-UHFFFAOYSA-N	412.540	3.727	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc(N(C)C)c(F)c1	746803410	XLLRQKDCRDAGJH-NSHDSACASA-N	413.262	3.877	10	20	HHCD	
CNC(=O)c1cc(Oc2cc(NC(=O)N(C)Cc3ccccc3O)ccc2C)ccn1	748951529	RMFVCHISBPFCKT-UHFFFAOYSA-N	420.469	3.911	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3c(-c4cccnc4)noc3=O)c2C)cc1	749357890	LKHFVTRADZVVNL-UHFFFAOYSA-N	418.453	3.587	10	20	HHCD	
C[C@H](CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1	751058582	HAAHKFGUBCQKKZ-CQSZACIVSA-N	416.524	3.788	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)s1	751137007	OWCLSOSTCNSDET-UHFFFAOYSA-N	409.529	3.764	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1	751317805	HJANBXACCHWDSM-GFCCVEGCSA-N	421.906	3.588	10	20	HHCD	
COc1ccc2c(c1)C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)CO2	751402976	ATIGXQMRISZUMJ-NFBKMPQASA-N	424.541	3.520	10	20	HHCD	
CCN(CC)C(=O)CSCC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	751805211	WVCVZXAQJMDDKH-UHFFFAOYSA-N	416.543	3.665	10	20	HHCD	
COc1ccc(N2CCN(Cn3ncn(-c4ccccc4C)c3=S)CC2)cc1F	754014071	QBCPXGWUHUMGEA-UHFFFAOYSA-N	413.522	3.639	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1CCC(C)C	756846406	WQSJHYNUEZRIMP-UHFFFAOYSA-N	412.578	3.630	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1c(C)noc1C	757060968	OAGILIRYLSPGPR-IBGZPJMESA-N	417.529	3.523	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	759596930	WTHYYNJXRWNCKZ-DCVFFXCOSA-N	408.237	3.767	10	20	HHCD	
CO[C@](C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1	761983385	REHKAMHGIMYHPG-KNQAVFIVSA-N	402.922	3.688	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(CC(F)(F)F)[C@H](C)C2)c(C)n1-c1cccc(F)c1	762927967	NHWSFIFSBJVIHZ-OAHLLOKOSA-N	411.443	3.984	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccn1	765439102	JVNQBCCOTVVVPB-GOSISDBHSA-N	403.404	3.971	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1	765635634	OZVWMEZOFVIWQU-SOFGYWHQSA-N	407.388	3.640	10	20	HHCD	
CCc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1S(C)(=O)=O	765720174	XWSNSLJMKLDRKX-UHFFFAOYSA-N	400.544	3.573	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC(C(F)F)CC1	766878016	LXJMRVNTBRRTSS-UHFFFAOYSA-N	421.410	3.729	10	20	HHCD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)Cc1c(O)cccc1Cl	768164123	XABREKAAJYOFTQ-UHFFFAOYSA-N	403.866	3.734	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cnccn4)n3C)c2C)c1	768407579	SFESDMRBQBSZNW-UHFFFAOYSA-N	418.526	3.963	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)CC2)cc1	769175984	QGKFXSPYOWPLRC-LJQANCHMSA-N	401.551	3.799	10	20	HHCD	
O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCc1c(O)ccc2c1CCCC2	769561926	GUPWXOGWLLHLLO-UHFFFAOYSA-N	408.498	3.631	10	20	HHCD	
CCOC(=O)c1c(NC(=O)c2cccc(=O)n2C)sc(C)c1-c1ccc(F)cc1	770264295	RWZUFGOKFQYVRN-UHFFFAOYSA-N	414.458	3.990	10	20	HHCD	
CCOc1ccc(CN(C)[C@H](C(=O)OC)c2cccc(Br)c2)c(O)c1	770381500	RVFCEEQTFRSYMP-SFHVURJKSA-N	408.292	3.900	10	20	HHCD	
COc1cc(-c2noc(CN(C)Cc3ccc(N4CCOCC4)cc3)n2)ccc1C	771096422	DWSYFZNIAGAMRJ-UHFFFAOYSA-N	408.502	3.522	10	20	HHCD	
CCN(C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1	772017681	WUPXIBNDWLQOLA-SFHVURJKSA-N	414.531	3.817	10	20	HHCD	
CC(C)N(C)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F	773847991	QTVULQSOSKWLSD-HNNXBMFYSA-N	400.498	3.552	10	20	HHCD	
Cc1cc(Br)cc(CN2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1O	775741842	RMIVCYGXSFFRRS-RBUKOAKNSA-N	406.320	3.788	10	20	HHCD	
CCOc1cccc([C@H]2C[C@@H]2NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	775773962	LVOLYEHWRGQQRP-RPWUZVMVSA-N	423.557	3.649	10	20	HHCD	
COc1cc(Cl)ccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	776079194	JSJBKKGEFYQTIJ-UHFFFAOYSA-N	403.910	3.879	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	779024310	ZTFJRLPXASSVTP-YLJYHZDGSA-N	421.557	3.570	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(=O)[C@H](C)C3(C)C)cc2F)C[C@@H](C)O1	780397618	NZJOHHNQWDAVAF-DFGXFYAUSA-N	404.526	3.697	10	20	HHCD	
CCN(CC)c1ccc(CNc2cccc(CN3CCN(C(C)=O)CC3)c2)cc1F	780557710	YUEJHCORSDPDMW-UHFFFAOYSA-N	412.553	3.948	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NC2CCN(c3nccs3)CC2)C1	781503857	KVTMGWCQUHSVTF-SFHVURJKSA-N	406.983	3.725	10	20	HHCD	
CCn1ncc2c(=O)n(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cnc21	783324459	YDNLAKGKVJMOBF-UHFFFAOYSA-N	401.430	3.667	10	20	HHCD	
O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(=O)N(Cc1ccco1)Cc1ccccc1O	785605398	ICLANDVFHACNFW-WSTZPKSXSA-N	410.514	3.989	10	20	HHCD	
COC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)c2ccc(OC)cc2)n1	787262442	PLVBBYRGSUJHIU-UHFFFAOYSA-N	405.454	3.522	10	20	HHCD	
CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	787874032	LRIIYZCAPUEMGF-GOSISDBHSA-N	409.530	3.568	10	20	HHCD	
COC[C@H](NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)[C@@H]1CCCO1	790278907	CGDLHCUYBXGWQE-OALUTQOASA-N	421.335	3.780	10	20	HHCD	
Cn1nc([C@H]2CCCOC2)cc1NC(=O)N(Cc1ccco1)Cc1ccccc1O	790546819	ONSGQYVMEJHPCP-KRWDZBQOSA-N	410.474	3.847	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NCc1ccc(OC)cc1O)c1ccccc1Cl	792790437	QZHLOAHWYNTQAB-IBGZPJMESA-N	405.926	3.937	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1	797648099	VOYUYAOIIFCGHT-AWEZNQCLSA-N	415.490	3.875	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccccc3Oc3ccncc3)c2)CC1	800899507	MRIREJACQHDYLH-UHFFFAOYSA-N	416.481	3.828	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cc(F)ccc43)cc2F)C[C@H](C)O1	802005794	XAFYCGWJUQQUHT-GJZGRUSLSA-N	401.457	3.851	10	20	HHCD	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C2CC2)o1	803686680	OPROCGWRMWUQIR-IIBYNOLFSA-N	421.541	3.593	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3CCC(C)C)CC2)cc1	804316285	ACLYQYKCNVLRDK-XMSQKQJNSA-N	415.578	3.501	10	20	HHCD	
Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)N(C)C	806541218	GXUOQQTYRWGNFS-NMMYMHLASA-N	424.589	3.883	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1	807098415	WFIDEAZHDTUPJQ-HNNXBMFYSA-N	421.463	3.916	10	20	HHCD	
C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N(C)Cc1ccc(N2CCCCC2)cc1	887567995	NTYKPSAZRFDIGZ-KRWDZBQOSA-N	412.509	3.985	10	20	HHCD	
CCN(CC)c1ccc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc1	916856628	NRQFPLPVISEPTK-UHFFFAOYSA-N	400.548	3.820	10	20	HHCD	
COc1cccc(N2CCC(NC(=O)NCc3ccc4c(c3)CCCN4C)CC2)c1	1318146481	FRZPZRYNEAKFQU-UHFFFAOYSA-N	408.546	3.546	10	20	HHCD	
Cc1cc(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)c(C)n1-c1ccccn1	1318727521	GTDKLHJHOMEAGV-HNNXBMFYSA-N	400.523	3.864	10	20	HHCD	
O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)NCCCSc2nccs2)CC1	1319100149	WDWFSLWQCVIXLJ-QGZVFWFLSA-N	416.572	3.783	10	20	HHCD	
O[C@H](CNCc1ccc(N2CCCC2)cc1)COc1ccccc1Br	1319749350	IBIIEFXNRGEGCI-GOSISDBHSA-N	405.336	3.579	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC1CCN(S(=O)(=O)c2ccccc2)CC1	1320132618	YYNNJNMFEGNIPO-YLJYHZDGSA-N	414.571	3.939	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)c(C)o1	1787341807	DFSJUPFTHGMBRI-UHFFFAOYSA-N	421.453	3.764	10	20	HHCD	
COc1ccc(CCNC(=O)CSc2ncc(-c3ccccc3)n2C)cc1OC	5174986	WJSKFPXCUORBGV-UHFFFAOYSA-N	411.527	3.555	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3cnn(-c4ccccc4)c3)no2)cc1)C1=S=CC=C1	445431810	QMTMJSADGPOURQ-UHFFFAOYSA-N	413.462	3.805	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(OC2CCCCC2)nc1	726237163	VQOQLSVJBVTAFC-UHFFFAOYSA-N	424.545	3.629	10	20	HHCD	
Cc1cc(C(=O)NCCCc2nnc3n2CCCCC3)c(C)n1-c1ccc(F)cc1	727488575	YRURQARAKFTDTP-UHFFFAOYSA-N	409.509	3.914	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)NC3(CCOCC3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	727781269	GLAODIXFCKSZQR-UHFFFAOYSA-N	423.513	3.501	10	20	HHCD	
Cc1cc(CC(=O)NCCCOC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	728215748	LJYOMAPSTZHSGU-NRFANRHFSA-N	404.938	3.992	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cc(C(F)(F)F)ccc1F	728581172	AYWCCIXVLMUYNQ-UHFFFAOYSA-N	402.413	3.923	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc(Cl)nc1)c2[N+](=O)[O-]	729173136	IWQYOWFPLNYEHH-UHFFFAOYSA-N	407.769	3.671	10	20	HHCD	
CC[C@@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(C)C	729333349	WZTPRRWJFYQZRZ-IBGZPJMESA-N	413.541	3.631	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1cc(F)ccc1F)c2[N+](=O)[O-]	729660717	RYGPSNVPSIOCAE-UHFFFAOYSA-N	422.343	3.578	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)COc3ccc4ccccc4c3)cc2F)CC1	730193913	GLTWDOUDUKYVMC-UHFFFAOYSA-N	421.516	3.816	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1	734947712	YFJCPAXTBDLUOX-JTDSTZFVSA-N	402.441	3.917	10	20	HHCD	
COc1cccc(OCCCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	739040246	YEZOIUOFSFOFBE-OAQYLSRUSA-N	414.502	3.561	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3F)c2)CC1	739754790	VZFRAFNNGALXTE-UHFFFAOYSA-N	419.522	3.565	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1	740813227	YXUDUDOXITZHLV-UHFFFAOYSA-N	420.915	3.822	10	20	HHCD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1	741067365	JVXZAJCZOHZVCK-UHFFFAOYSA-N	413.543	3.708	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3c[nH]c4c(C)cccc34)cc2F)CC1	741189085	YHESMDFCFZYIDM-UHFFFAOYSA-N	408.521	3.616	10	20	HHCD	
C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC[C@H]1C	743535006	NCGSOGRFDLMBBQ-FGTMMUONSA-N	424.536	3.819	10	20	HHCD	
Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)cn1	746808526	GLSCAXRSKOEXBN-QGZVFWFLSA-N	416.485	3.865	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(O[C@H]3CCOC3)CC2)c(C)n1-c1cccc(F)c1	748832474	KLFLVZSHPXLEMD-NRFANRHFSA-N	400.494	3.686	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O	750661828	SGAIWHYJGMMDJO-QHCPKHFHSA-N	422.573	3.518	10	20	HHCD	
OCC1CCN(c2ccc(CNC(=S)NC34CC5CC(CC(C5)C3)C4)cc2)CC1	750995073	MZILIRCMCOTJFG-UHFFFAOYSA-N	413.631	3.828	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nc(-c2cccnc2)no1	751930826	LEVNVAPTCYRZOP-LBPRGKRZSA-N	407.455	3.679	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(C)(c3ccccc3)CC2)c1	753806505	WLOSYQPUPSGKQB-UHFFFAOYSA-N	422.569	3.981	10	20	HHCD	
COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCCCSc2nccs2)c1	753944522	COIGJXRSTPTDKL-UHFFFAOYSA-N	420.560	3.834	10	20	HHCD	
O=[N+]([O-])c1cc(CNCc2nc(-c3ccc(F)cc3)n[nH]2)ccc1N1CCCCC1	754892656	OYKFBUQBZOHNML-UHFFFAOYSA-N	410.453	3.799	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3[nH]c(-c4cccc(C)c4)nc3C)CC2)cc1F	757052069	HRQRYTKKXFSGBN-UHFFFAOYSA-N	408.477	3.804	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c(O[C@H]2CCOC2)c1	758694901	ODCIALWNPRNWIF-QFIPXVFZSA-N	409.530	3.762	10	20	HHCD	
Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)/C=C/c2ccc(O)c(O)c2)o1	759596102	MJGZSSDCNBFROK-CSKARUKUSA-N	419.393	3.868	10	20	HHCD	
C[C@H](C[C@H]1CCOC1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	759945712	UDLLVMPXNRAKPL-FWEMMINBSA-N	424.613	3.661	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCC[C@@H]2OCC[C@H]21	760897907	IAGBPJPBZSMFNZ-FDPIWHGQSA-N	409.477	3.514	10	20	HHCD	
C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	762264480	ZUXXZULLIKUUKK-FOIQADDNSA-N	414.502	3.659	10	20	HHCD	
C[C@@H](NCCc1ccnn1C)c1cc(Br)cc(Br)c1O	762779374	WKOFEQCAVKJWRF-SECBINFHSA-N	403.118	3.544	10	20	HHCD	
O=C1/C(=C\c2cnn(Cc3ccccc3Cl)c2)SC(=S)N1Cc1ccon1	764412844	VQCSINWHADWXJH-FRKPEAEDSA-N	416.915	3.974	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc(N3CCCCC3)cc2)cc1	765402597	KRLBFQNLCLMYTH-LJQANCHMSA-N	401.576	3.614	10	20	HHCD	
C[C@@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)cc1Cl	765582833	HIJGUNWEHUHFFD-CQSZACIVSA-N	405.892	3.854	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc(-c2ccc3c(c2)CCO3)no1	765755509	JBRMYESBOREFMF-UHFFFAOYSA-N	415.243	3.675	10	20	HHCD	
CC(C)CCc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1	765932099	UZAWTEPFBYUMIR-UHFFFAOYSA-N	419.319	3.998	10	20	HHCD	
C[C@@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C	769124439	KUODUBFFETXRKD-WUKHSURWSA-N	414.481	3.745	10	20	HHCD	
CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(N2CCOCC2)c(F)c1	769538692	USBVRAAFQNLYLS-NRFANRHFSA-N	400.494	3.789	10	20	HHCD	
Cc1ccc(-c2csc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)n2)s1	769786918	JDCLDGZBMKKHCJ-UHFFFAOYSA-N	409.514	3.509	10	20	HHCD	
COC(=O)C[C@]1(NCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCCOC1	770702564	WRQMZEGHBGNHDN-JOCHJYFZSA-N	410.474	3.742	10	20	HHCD	
C[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771054721	VULSDGCJEFFEBE-PBHICJAKSA-N	406.885	3.733	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-c2nc[nH]n2)cc1	771406463	KHVZCFDGBYXQJG-UHFFFAOYSA-N	401.264	3.602	10	20	HHCD	
COCCOc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(Cl)c1	771438380	VRIBLUZAKSSWNZ-GOSISDBHSA-N	419.905	3.892	10	20	HHCD	
C[C@H]1CCN(CCOc2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2)C1	771844459	VSIHHLMIDSGZFY-NRFANRHFSA-N	408.590	3.771	10	20	HHCD	
COc1cccc(-c2nc(COC(=O)/C=C/c3ccc(O)c(O)c3)cs2)c1OC	772775152	LUSOOEUCAZVIBB-VQHVLOKHSA-N	413.451	3.995	10	20	HHCD	
Cc1c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cnn1C1CCCC1	772929274	QKUKTGFSSNKCRO-UHFFFAOYSA-N	422.485	3.773	10	20	HHCD	
Cc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773856718	KHTZRTDLLITKAH-CYBMUJFWSA-N	404.308	3.639	10	20	HHCD	
CCOC1CC(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)(N2CCOCC2)C1	774478780	PTHHTWDKJRUZAD-JVIIGWRGSA-N	419.585	3.737	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c1	775370729	PSNKATDRVYHCMY-RDTXWAMCSA-N	409.442	3.615	10	20	HHCD	
C[C@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(N(C)C)cc1	775408676	BDWBNUNGHOTQTJ-IBGZPJMESA-N	407.558	3.801	10	20	HHCD	
COc1cccc2cc([C@@H](C)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)oc12	776159405	WIBSGAAXVCHCIH-APWZRJJASA-N	407.514	3.994	10	20	HHCD	
CCN(C(=O)/C=C/c1scnc1C)c1ccc(S(=O)(=O)C(F)(F)F)cc1	776799738	NEPPVCITXHTLTQ-CMDGGOBGSA-N	404.435	3.811	10	20	HHCD	
COC(=O)c1csc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	782895652	BQRBKAGQIPJHMT-UHFFFAOYSA-N	416.499	3.540	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnc(OCC(C)C)c(Cl)c3)CC2)cc1	783030668	NBTJQGWOHBJHMM-UHFFFAOYSA-N	403.910	3.741	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1	786709366	HTKALWGDFZSQTF-HUUCEWRRSA-N	421.463	3.759	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)cc1F	789937775	UXKVTOPCOYPQPJ-IBGZPJMESA-N	420.550	3.507	10	20	HHCD	
O=S(=O)(Cc1ccc(Cl)c(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	790022137	LCKVXALJFQPVHO-MRXNPFEDSA-N	413.898	3.696	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(OC)c(OC3CCCC3)c2)c(O)c1	792980512	SBTNKBAXRWBXAE-UHFFFAOYSA-N	400.475	3.730	10	20	HHCD	
COc1ccc(CNC(=O)NCCCc2ccc(Br)cc2OC)c(O)c1	793044689	IFOIATGEVWAYDZ-UHFFFAOYSA-N	423.307	3.604	10	20	HHCD	
COc1ccc2cc(NC(=O)N(CC(=O)O)Cc3cc(Cl)ccc3O)ccc2n1	797743249	GAVBLHFMIQTXOW-UHFFFAOYSA-N	415.833	3.721	10	20	HHCD	
COCCO[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	802579038	CCQGPPSNKSHCMK-FQEVSTJZSA-N	410.474	3.695	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)C[C@H]2CCCOC2)c(C)n1-c1cccc(C(C)C)c1	803005524	MKJDWAKUSALWBV-SFHVURJKSA-N	418.559	3.704	10	20	HHCD	
COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	804365631	LKRBEWDTBANMFR-FQEVSTJZSA-N	408.420	3.970	10	20	HHCD	
Cc1ccccc1OCCCNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	804443479	DEEIBCWUOCOFCE-UHFFFAOYSA-N	423.557	3.529	10	20	HHCD	
CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1	808526680	SKVKMESWYDAVAJ-UHFFFAOYSA-N	407.542	3.764	10	20	HHCD	
CO[C@@H]1CCC[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1	815710872	XWCMQCLERONYSM-RLLQIKCJSA-N	419.566	3.640	10	20	HHCD	
CC(=O)NCCNC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	915894628	LXSMROPDSZCBGS-GOSISDBHSA-N	422.451	3.617	10	20	HHCD	
COc1ccc(OCCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1	916565824	KILCEWICFSPNAH-QHCPKHFHSA-N	412.530	3.738	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)cn3)cc2F)C[C@H](C)O1	917709438	IPPKWHWPUIIRFJ-STQMWFEESA-N	411.399	3.783	10	20	HHCD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	918267243	VZPUSDWVODDARQ-UHFFFAOYSA-N	415.921	3.984	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3ccc(N4CCCCC4)cc3)SC2=S)CC1	920473220	MEUNHTLOEVJUML-XDJHFCHBSA-N	401.601	3.972	10	20	HHCD	
CN1CCN(c2ccc(CNCCc3ccc(OC(F)(F)F)cc3)cc2F)CC1	1318368651	YFERCPRNLCSTIE-UHFFFAOYSA-N	411.443	3.808	10	20	HHCD	
C[C@H](NCc1cccc(CN2CCN(C)CC2)c1)c1ccc(Br)cc1O	1321023628	OENXHMYEZXRVOB-INIZCTEOSA-N	418.379	3.753	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3F)C2=O)cc1	1342128519	MRZFXOUMABKEBT-OQLLNIDSSA-N	421.446	3.922	10	20	HHCD	
Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)c1	1800716683	UMDLYZJNGGGNDS-BJWYYQGGSA-N	414.889	3.625	10	20	HHCD	
CC(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1	1806722130	XJDIDWVXUVTWJA-VWNXMTODSA-N	416.525	3.829	10	20	HHCD	
Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1	72078932	OWOVZTQOJGAXHA-UHFFFAOYSA-N	402.926	3.885	10	20	HHCD	
CC(C)COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	140124626	ZQAIFHFYJSVFNM-GOSISDBHSA-N	418.559	3.598	10	20	HHCD	
O=C(NC1CC1)c1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726608276	XCBFYSKXZHSOGQ-UHFFFAOYSA-N	415.484	3.939	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc21	728515084	YYFHDRHKNWOCAI-UHFFFAOYSA-N	415.534	3.597	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1	728983755	DXOVRARIFKUIKR-MRXNPFEDSA-N	405.450	3.888	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4ccc(F)cc43)cc2F)CC1	730130528	FCDHLUBKATYMHA-OAQYLSRUSA-N	414.500	3.593	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cc(F)ccc3N3CCOCC3)cc2)CC1	731015440	XOBKBIYWWDFSBO-UHFFFAOYSA-N	411.521	3.829	10	20	HHCD	
CCCCN1CCCC[C@@H]1CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1	731220969	ZJHNSDLNYCKPJX-OAQYLSRUSA-N	402.583	3.572	10	20	HHCD	
COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C/c2cccnc2)cc1	732087502	ALNURTLNWXAJBB-SDNWHVSQSA-N	415.493	3.739	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)Oc3ccc(F)cc3Cl)CC2)cc1	733097841	ZZFFIHYKTLTRNZ-HNNXBMFYSA-N	406.885	3.994	10	20	HHCD	
COc1cccc(Oc2ccc(CNC(=O)NCc3cc(OC)ccc3O)cn2)c1	734064944	NSYYDCJSLSPXJO-UHFFFAOYSA-N	409.442	3.596	10	20	HHCD	
Cc1ccoc1C(=O)NCCCNC(=O)Nc1c(C)cc(Br)cc1C	738900916	YDYBEBALRFOUNJ-UHFFFAOYSA-N	408.296	3.909	10	20	HHCD	
COC(=O)Nc1ccc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	739035323	PYNOVHDODFYOMH-UHFFFAOYSA-N	410.518	3.848	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1nn(-c2ccccc2)c2c1CCC2	740906309	ZVMGIFBZESLGDG-UHFFFAOYSA-N	413.525	3.737	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)NC(=O)OC(C)(C)C)cc1	742750698	PCFDHUDIRAHFJP-IBGZPJMESA-N	401.482	3.888	10	20	HHCD	
COc1cccc([C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)N2CCCC2)c1	745304005	XRIHUWMPYKUZPG-QHCPKHFHSA-N	423.557	3.916	10	20	HHCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)[C@@H](c1ccccc1)N1CCOCC1	749126058	LHZRBDQNWRTYIB-RDPSFJRHSA-N	411.615	3.791	10	20	HHCD	
CC[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1cccc(C)c1	752029769	IELNXCNRVQTGOH-QFIPXVFZSA-N	411.546	3.831	10	20	HHCD	
COCCN(CCN[C@H](C)c1cc(Br)ccc1O)C(=O)OC(C)(C)C	756778017	BUZNOEAFVVHVIA-CYBMUJFWSA-N	417.344	3.689	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cncc(I)c2)cc1	756889472	MEEHGALSAWIGQJ-UHFFFAOYSA-N	423.298	3.805	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccnc3Br)cc2F)C[C@@H](C)O1	758176321	BZBAUHCZHCMYPH-CHWSQXEVSA-N	422.298	3.527	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC[C@H]1c1cccc2c1OCCO2	759603069	PYNIIGHZMHQGKY-HNNXBMFYSA-N	405.545	3.943	10	20	HHCD	
C[C@H](O)C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	759610577	MNUGWFVXUHMMHJ-BWAGFHJFSA-N	412.530	3.638	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)cc(OC)c1OC	759927591	JYPUAPIMMROTCR-UHFFFAOYSA-N	423.872	3.859	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCC([C@H](O)c3nccn3C)CC2)c1C	760878765	LRNMPSZXWBGDFP-DEOSSOPVSA-N	420.557	3.764	10	20	HHCD	
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C	761994714	DMIVVPZWBHLFQT-UHFFFAOYSA-N	400.840	3.850	10	20	HHCD	
C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2cc3c(cc2O)OCO3)c1	763496663	QFMLRWZWEKFFJX-CQSZACIVSA-N	415.465	3.685	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C[S@](=O)[C@@H](C)c3cccc(Cl)c3)CC2)cc1	764474741	NWOPBTWAJATQOS-OLRZCDJHSA-N	420.962	3.507	10	20	HHCD	
CCN1CCN(Cc2ccc(CNC3CCN(c4ccc(OC)cc4)CC3)cc2)CC1	765011874	UOMYAXSQUSXVOT-UHFFFAOYSA-N	422.617	3.591	10	20	HHCD	
O=C(NCCc1c[nH]c2cc(F)ccc12)NCc1cccc(Br)c1O	765481484	VBBGSPFMPWDYHU-UHFFFAOYSA-N	406.255	3.817	10	20	HHCD	
Cc1nn(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1-c1ccccc1	766486177	YHKCDWZWBVGGHJ-GOSISDBHSA-N	404.514	3.573	10	20	HHCD	
COc1cc(N2CCN(Cc3nc(Cl)ccc3Cl)CC2)cc(OC)c1OC	766888313	GLWOOEVMZCQVDV-UHFFFAOYSA-N	412.317	3.736	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ns1	767967686	BIELWJLSIYPGES-KRWDZBQOSA-N	404.536	3.513	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(F)cc1C(F)(F)F	768097211	YDGLRKKETAWWJV-UHFFFAOYSA-N	412.383	3.726	10	20	HHCD	
COc1cccc(O)c1CN1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1	768532445	KCYAKGSIKUXNPH-QGZVFWFLSA-N	408.502	3.638	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)Cc3cc(Cl)ccc3F)CC2)cc1	769897895	ZENLECPXTVMLIY-UHFFFAOYSA-N	412.914	3.530	10	20	HHCD	
Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1	772574880	FWEAGGAMTPGGHR-SFHVURJKSA-N	405.502	3.900	10	20	HHCD	
CN(C)c1ccc([C@@H](CNCc2n[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1	773409675	OOKRSYRJZJEEKD-HXUWFJFHSA-N	409.534	3.985	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCS(=O)(=O)c2ccccc2C1	773415681	PNLRSEFCCUPMAZ-UHFFFAOYSA-N	400.525	3.585	10	20	HHCD	
Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773854500	CYLMCQDJVCXBBB-MRXNPFEDSA-N	402.498	3.939	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2cccc(C(C)=O)c2)nc1-c1ccccc1	775209375	VXQDGGYPLOWAIU-UHFFFAOYSA-N	415.496	3.772	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)N(C)CC4)cc2F)C[C@@H](C)O1	776033185	FUUNGBHLWLYNMR-HZPDHXFCSA-N	412.509	3.753	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccnc(OCC(F)(F)F)c3)CC2)cc1	776491139	NPLLAEPIDXJSBD-UHFFFAOYSA-N	424.423	3.822	10	20	HHCD	
Cc1cc(C)c2c(c1)CN(C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CC2	777236743	RCGRUWJHRLGWLT-UHFFFAOYSA-N	411.521	3.672	10	20	HHCD	
CCOc1ccccc1CN(CCCn1ccnc1)C(=O)/C=C\c1ccc(O)c(O)c1	779512144	MSLCGTSYGXBDBN-LUAWRHEFSA-N	421.497	3.825	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(CC(C)C)c1C(C)C	784024746	RPAPUQQQBNQNQE-UHFFFAOYSA-N	400.523	3.745	10	20	HHCD	
Cc1ccc(SC[C@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788910895	GFGVOUCCYKERPV-SFHVURJKSA-N	411.571	3.508	10	20	HHCD	
CCCCn1ncc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1C(C)C	792210116	UDKTWSMOEZVCML-UHFFFAOYSA-N	411.550	3.662	10	20	HHCD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	793100273	BIYPMQXTRGXKBV-CRAIPNDOSA-N	416.484	3.736	10	20	HHCD	
COc1ccc(CNCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c(O)c1	793388062	KERQXOJEJAZQEM-UHFFFAOYSA-N	416.352	3.549	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCCCN1CCCC1	800126362	DUBPJVDSMPDQPK-JQIJEIRASA-N	424.613	3.759	10	20	HHCD	
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3cc(Cl)ccc3O)cc21	800311602	PLUMTEMZXNVXLR-UHFFFAOYSA-N	400.910	3.838	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H]3CCN(Cc4ccccc4)CC3(C)C)cc2)CC1	800894482	XJPXPQXOICJUNM-RUZDIDTESA-N	406.618	3.829	10	20	HHCD	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803686200	ZGORRJJRVDDKQX-INIZCTEOSA-N	405.498	3.651	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCn2c(cc3ccccc32)C1	806513051	YFPWICXCVXXUKN-UHFFFAOYSA-N	404.514	3.593	10	20	HHCD	
CC(C)N(C)c1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807512380	UZFWOEKEHXFPHF-UHFFFAOYSA-N	410.301	3.799	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1	807588165	KSRDYKHOPDZPJB-HRAATJIYSA-N	415.534	3.851	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1cccs1)c1ccc(N(C)C)cc1	807673512	VAGGEXHEAZXDOQ-INIZCTEOSA-N	411.527	3.813	10	20	HHCD	
O=[N+]([O-])c1ccc(O)c(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c1	810158642	RRQIWNAFGBKEGW-UHFFFAOYSA-N	408.336	3.745	10	20	HHCD	
CC[C@@](C)(OC)c1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1	810332863	GNEZBRXUXQUCLD-QGZVFWFLSA-N	409.489	3.576	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@H](c2ccc(F)cc2)C1	814430079	QBKKVFFOMPAYSJ-AQYVVDRMSA-N	411.521	3.780	10	20	HHCD	
CC(C)[C@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)NC(N)=O	814773780	WCLXXVFHEMPJSA-LVOZBFFPSA-N	419.553	3.824	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCc3c(nnn3CCOC)C2)cc1	816636723	GCOKNEZIGDDSCW-UHFFFAOYSA-N	405.546	3.509	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)c(C)n1-c1cccc(C(C)C)c1	818154914	CTGCIVOZDBQMGX-QFIPXVFZSA-N	421.545	3.779	10	20	HHCD	
Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC(F)(F)F	857476141	SKATWXPJHXECQE-OAHLLOKOSA-N	410.392	3.694	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(OC(F)(F)F)cc1	913204566	HLQZBLGEFKLNMY-UHFFFAOYSA-N	409.452	3.742	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1C	915219652	PNYYTRKTUSVJFR-UHFFFAOYSA-N	402.497	3.863	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1	917016672	AKPHTXJWEAIVRN-QHCPKHFHSA-N	406.526	3.800	10	20	HHCD	
CCc1cccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	917708692	DWUFUDIIPJBHJW-CALCHBBNSA-N	400.494	3.697	10	20	HHCD	
Cc1cc(-c2nnc(CCc3nc(-c4ncccn4)no3)o2)c(C)n1-c1ccccc1	1322093284	LELBFXJQJTYUGT-UHFFFAOYSA-N	413.441	3.769	10	20	HHCD	
Cc1cc(-c2nnc(N3CCCOCC3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1	1324000356	RSHDKKNKGVBFBM-HXUWFJFHSA-N	421.545	3.616	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c1	1328176949	HPHGWMGLGJBMKQ-HNNXBMFYSA-N	408.951	3.785	10	20	HHCD	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1CCCN1CCOCC1	28964157	CBEYRQNTENSMGI-GDNBJRDFSA-N	417.383	3.917	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1	141650960	SEQFHGOLUKAFNF-QGZVFWFLSA-N	408.502	3.533	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cnc1Cl	217229911	INNMWZABCPJGNF-UHFFFAOYSA-N	410.864	3.876	10	20	HHCD	
Oc1ccc(Br)cc1CNC[C@H]1CN(Cc2ccccc2)CCCO1	390867058	NQLHWFXEVCFEOB-IBGZPJMESA-N	405.336	3.535	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ccc21	497403439	HDJIYAAXFGCXHY-XZOQPEGZSA-N	405.542	3.732	10	20	HHCD	
Cc1cc(-c2nc(-c3ccc(N(C)C)cc3)no2)ccc1NC(=O)C1=S=CC=C1	546247815	SXWNWAZFPGKPPC-UHFFFAOYSA-N	404.495	3.994	10	20	HHCD	
C[C@@H]1CN(CCCCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1	725848715	DTHPFNXWWXVGOH-RTBURBONSA-N	404.555	3.564	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCCNC(=O)c3cccc(O)c3)c2C)c1	726621894	BEJAYFJJAUPVNB-UHFFFAOYSA-N	405.498	3.658	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@H](CCC(N)=O)C2)c(C)n1-c1ccc(Cl)cc1	727109343	HRXAAHFWVFERAR-QGZVFWFLSA-N	401.938	3.794	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1	728981526	CDUQFQPQOKTWCS-ZWKOTPCHSA-N	410.514	3.747	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c1	729048711	HTJKQLUEVPMSKA-OAHLLOKOSA-N	420.469	3.609	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)c1	729053625	QAVUQCOKEPKLRD-OAHLLOKOSA-N	421.538	3.989	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1	731280184	KSLJPAHBWMJMOW-UHFFFAOYSA-N	424.589	3.652	10	20	HHCD	
Cc1cc(C(=O)NCCc2nnc(S)n2C2CC2)c(C)n1-c1cccc(Cl)c1	731443887	RSDZRPCRVBANDG-UHFFFAOYSA-N	415.950	3.935	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1ccc2c(c1)CCO2	732911221	RUGQEQDMGCSLSB-UHFFFAOYSA-N	424.507	3.732	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1	734018487	UXDFXANZFZFXRV-UHFFFAOYSA-N	400.438	3.579	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c1	734073817	FAASBUNVFWSPIW-UHFFFAOYSA-N	410.401	3.587	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1	734688355	NJJTUWWIAGJNRT-UHFFFAOYSA-N	408.546	3.507	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C[C@@H]3CCCO3)CC2)c(C)n1-c1ccc2c(c1)CCC2	740942343	BYJCTZZBKVRWHQ-DEOSSOPVSA-N	421.585	3.562	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C)nn4)cc3)CC2)cc1	743196821	XCXCNZUHKZXKSD-UHFFFAOYSA-N	419.485	3.940	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Oc1ccc(Cl)cc1	743552930	AFLHKDZYOSUJSQ-HNNXBMFYSA-N	421.900	3.582	10	20	HHCD	
CC(C)[C@@H]1CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCS1	743554691	KIPIBAFHIBNDGC-YRNRMSPPSA-N	409.571	3.722	10	20	HHCD	
C[C@@H](c1cccnc1)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	743722883	BFXVDKAGADTGBZ-ZDUSSCGKSA-N	415.405	3.598	10	20	HHCD	
COCCn1ncc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc21	746770537	CIJFVJCYOJIQRQ-HXUWFJFHSA-N	424.501	3.601	10	20	HHCD	
COc1cccc(CCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1OC	751299795	PLPYKDOMJYUCEI-UHFFFAOYSA-N	402.454	3.985	10	20	HHCD	
Cc1ccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(O)c1O	751534370	YHOKSOWKDDGFRG-UHFFFAOYSA-N	408.420	3.773	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(OC(F)F)c(F)c3)CC2)cc1F	753880044	SHOUPCSUEQFFHE-UHFFFAOYSA-N	413.371	3.929	10	20	HHCD	
COc1cccc(-c2nc(C)c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)[nH]2)c1	755661161	FKDOOKVEJWCAHQ-MRXNPFEDSA-N	420.513	3.721	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc(Cl)c(Cl)c2O)cc1	756480699	UCTSEKXJHLGUBU-GFCCVEGCSA-N	403.331	3.637	10	20	HHCD	
C[C@@H](NCCOC[C@@H]1CCCO1)c1cc(Br)cc(Br)c1O	756582365	HWEDMDIJVORBQF-PWSUYJOCSA-N	423.145	3.763	10	20	HHCD	
COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H](C)c1ccc(F)cc1O)CC2	756709495	XQJWJINQUQPUFD-HNNXBMFYSA-N	416.493	3.564	10	20	HHCD	
C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc(Br)c(F)cc1O	756804450	LNVIUQUFIVWHLA-NSHDSACASA-N	411.271	3.934	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)c1C	756921674	VWQGHENZLWQCPE-CQSZACIVSA-N	406.504	3.812	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc3c(c2)CCCN3C)c(O[C@@H]2CCOC2)c1	758728656	KVGFBJXQQHAHKH-OAQYLSRUSA-N	409.530	3.545	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc(OC(C)C)cc3)CC2)cc(OC)c1OC	759886717	PTEGFDXBZCAERV-UHFFFAOYSA-N	400.519	3.822	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)cc1	760065097	KPXRMCJQIVDGOC-UHFFFAOYSA-N	407.511	3.538	10	20	HHCD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1C1CC1	763119618	SMHLHRDPIWLVFB-MRXNPFEDSA-N	411.550	3.785	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1	765098245	PFGUSHHJTOSVEY-GFCCVEGCSA-N	418.475	3.609	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(Cn4cccn4)cc3)c2)CC1	767382185	AROIDXNWYFEIQR-UHFFFAOYSA-N	403.530	3.714	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2cccc(Cl)c2)cc1C	768883711	VTPMZZHAKBSIAY-MDZDMXLPSA-N	414.936	3.823	10	20	HHCD	
O=C(CN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1)Nc1ccccc1F	770378238	GKBGBQFCNMZSHV-UHFFFAOYSA-N	419.500	3.955	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1O	770481321	MFVBITNPGBAEDU-UHFFFAOYSA-N	422.485	3.669	10	20	HHCD	
Oc1cc2c(cc1CNc1ccc(CCn3nnc(-c4ccccc4)n3)cc1)OCO2	770552980	OSDHSFMYTGQYTQ-UHFFFAOYSA-N	415.453	3.629	10	20	HHCD	
CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	770756475	MGMFWVMJZQLBDZ-HRAATJIYSA-N	417.550	3.954	10	20	HHCD	
C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(N(C)C)cc1	773021669	SMNKRCPYSLZJSW-CECLQJIQSA-N	405.542	3.882	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc([N+](=O)[O-])c1C	775292213	VZORMZYJQOBJOO-UHFFFAOYSA-N	422.459	3.512	10	20	HHCD	
Cc1n[nH]c(C)c1NC(=O)CN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2	780888249	VTRHDMOWZMUGHF-RMKNXTFCSA-N	418.497	3.956	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H]3C[C@H]3c3cc(OC)ccc3OC)CC2)cc1	788088687	AOGFTTYHMTURJA-UNMCSNQZSA-N	410.514	3.555	10	20	HHCD	
COc1ccc(F)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1OC	788168106	AEGLQFPKZDGFBQ-KBPBESRZSA-N	420.456	3.526	10	20	HHCD	
COc1ccc(CNc2ncnc3ccc(I)cc23)c(O)c1	795285659	TYZLVSKNEPSEBX-UHFFFAOYSA-N	407.211	3.561	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1csc2ccccc12	795776629	XFRYIGUGMQOFDX-UHFFFAOYSA-N	402.541	3.559	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCN(C)C(=O)OC(C)(C)C	797191577	BZIFPELITUJBFB-UHFFFAOYSA-N	415.328	3.760	10	20	HHCD	
Cc1cc(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc(C)c1Cl	799596500	HNTUNQJJTIUNJZ-UHFFFAOYSA-N	405.901	3.661	10	20	HHCD	
Cc1cc(C(=O)OC[C@H]2CCN(C(=O)c3ccccc3)C2)c(C)n1-c1ccccn1	801223921	YZEMCGYRTQEUSW-IBGZPJMESA-N	403.482	3.808	10	20	HHCD	
COc1cc(NCc2ccc(N3CCCCC3)cc2)ccc1S(=O)(=O)N(C)C	802647355	ZSXWGBDEBAIGAJ-UHFFFAOYSA-N	403.548	3.548	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	804198775	XUWJBXCVJPUZID-SWLSCSKDSA-N	410.779	3.783	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1F	804852548	KGGVKEGHKIMEHW-CQSZACIVSA-N	421.463	3.786	10	20	HHCD	
CCS[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	805019798	KHJDBXPLXXMIFY-FPOVZHCZSA-N	417.619	3.720	10	20	HHCD	
C[C@@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	807274448	RCMGOKNLZVJOLP-CQSZACIVSA-N	408.951	3.836	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)c1ccc(N(C)C)cc1	807672543	DACBIUVXHPITHE-ZDUSSCGKSA-N	408.329	3.895	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)c1	808902438	SHVKGWKEKYNLHZ-LBPRGKRZSA-N	423.872	3.913	10	20	HHCD	
COc1cc(O)c(CN2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1OC	809746626	VXTHLCBMHLBBNN-CYBMUJFWSA-N	404.894	3.645	10	20	HHCD	
CCCN(CCN1CCCCCC1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	812014741	KHRRPZFWJWGKKK-OAQYLSRUSA-N	416.610	3.882	10	20	HHCD	
COc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(OC)n1	812618994	AZELZKVRJXHPOG-UHFFFAOYSA-N	424.501	3.670	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2)c(C)n1-c1ccccn1	914906048	JUTLDEMROWTHFQ-UHFFFAOYSA-N	418.497	3.885	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	915315372	MMAVZBCOBKCHMA-UHFFFAOYSA-N	424.545	3.669	10	20	HHCD	
CCCC(=O)Nc1ccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	918008686	SPJQQPIVWOWNLT-UHFFFAOYSA-N	424.545	3.856	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1ccc(F)cc1)C1CC1	918222864	AEJFSCBYQMOHAN-UHFFFAOYSA-N	401.457	3.676	10	20	HHCD	
O=C(Nc1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918295973	VBSDNODFFJOVKN-CQSZACIVSA-N	423.296	3.845	10	20	HHCD	
CCOc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cc1OCC	921086739	BAVFBVOJLHPLCB-AQTBWJFISA-N	406.573	3.779	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@H]2OCCC[C@@H]2C1	1203562969	RQVKXIDPVJEYOW-QMTHXVAHSA-N	405.130	3.918	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@@H](O)c3c(Cl)cccc3Cl)cc2F)CC1	1261232896	YCBIVTQFXSRFAK-LJQANCHMSA-N	412.336	3.708	10	20	HHCD	
COc1ccc(OC2CCN(Cc3ccc(N4CCN(C)CC4)c(F)c3)CC2)cc1	1319799429	YGVXTQXFZDRKGY-UHFFFAOYSA-N	413.537	3.630	10	20	HHCD	
CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)CCCC1	1800713659	ZUKJNPWYXXBPOA-QDMKHBRRSA-N	406.910	3.583	10	20	HHCD	
CCOc1ccc(O)c(CNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1	237074117	KBKSLUQLNGUTDU-HXUWFJFHSA-N	424.463	3.973	10	20	HHCD	
CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1c(C)c2ccccc2n1C	473265306	QDUYNFCDWCZWRO-IBGZPJMESA-N	409.555	3.655	10	20	HHCD	
CN(C)CCNC(=O)c1cccc(CNCc2cc(-c3ccccc3)ccc2O)c1	727471255	RFTGWXSYHIGOBZ-UHFFFAOYSA-N	403.526	3.640	10	20	HHCD	
COc1ccc(N(C)Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1OC	728288717	LQNHQXKMUMLYTN-UHFFFAOYSA-N	418.540	3.867	10	20	HHCD	
CCOc1ccc(CCNC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1OCC	729045471	VHBKFBAKPRCGAJ-OAHLLOKOSA-N	402.491	3.801	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)CCc3ccccc3F)cc2F)C[C@@H](C)O1	731682769	VGZZIYGJEKXUTN-CALCHBBNSA-N	417.500	3.963	10	20	HHCD	
CN(C)[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1	731870120	CRRYRMBGEDBNDM-FQEVSTJZSA-N	403.979	3.812	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1cscn1	732092517	DHCQXXUPHQAYFU-NTEUORMPSA-N	423.610	3.545	10	20	HHCD	
COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4cc(O)cs4)cc32)c1	732284559	XBUZQFAIFQZBHM-UHFFFAOYSA-N	408.479	3.846	10	20	HHCD	
O=C(NCCCSc1nccs1)C1CCN(C(=O)OCc2ccccc2)CC1	733972845	XRNOMMCFHVQDFK-UHFFFAOYSA-N	419.572	3.790	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)CC2)cc1	734173820	SYVUACGQSVAQDC-HSZRJFAPSA-N	422.573	3.582	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	734675928	LYMRBLGAUWPPPL-IFMALSPDSA-N	409.530	3.752	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2C)c1	735391304	GMJRNKHOZYJCTK-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
O=C(CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)cc1F	735517793	CTFXDZMVUASXKJ-QGZVFWFLSA-N	403.425	3.841	10	20	HHCD	
CCN(CC)c1ccc(CNCCCC(=O)N2CCN(c3ccccc3)CC2)cc1	736641997	PRVZNZSSCUQKJJ-UHFFFAOYSA-N	408.590	3.751	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2C)c1O	737285634	KQWIRWHDBPKCIJ-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
CSC[C@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	737992780	IGHFPHBHTOIOOS-GOSISDBHSA-N	411.365	3.700	10	20	HHCD	
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	741090946	RRTZPOVLMDPKQZ-HXUWFJFHSA-N	414.550	3.604	10	20	HHCD	
CCc1nc(C(=O)NCc2ccc(N3CCCCC3)cc2)nn1-c1ccccc1F	741677794	GUHBSRWHVYPVMX-UHFFFAOYSA-N	407.493	3.889	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOc2ccccc21	742800354	QNGHWIGYQFSZFY-DNVCBOLYSA-N	402.441	3.939	10	20	HHCD	
Cc1ccn2cc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nc2c1	742801047	XBECCFOHQBUNCB-OAHLLOKOSA-N	400.429	3.643	10	20	HHCD	
O=C(NCc1ccc2c(c1)CCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743578501	LSKCCTDAECYHFM-QGZVFWFLSA-N	417.456	3.691	10	20	HHCD	
CCC(CC)c1cc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)on1	743656406	LWQXMMBNMSDMPO-UHFFFAOYSA-N	414.550	3.786	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCc1csc(CS(C)(=O)=O)n1	744832186	BCCVGUIBWBMISU-UHFFFAOYSA-N	410.542	3.514	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)cc2F)CC1	745808411	LHVNWKVWSMAICP-FDDCHVKYSA-N	410.537	3.870	10	20	HHCD	
CC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCOCC1	746421984	SIOQNXOXJQLXPU-APWZRJJASA-N	411.493	3.761	10	20	HHCD	
CN1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21	750780859	WJYSMSCIBNDWHM-OXQOHEQNSA-N	415.484	3.997	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)cc1F	755452058	DSFPSHDRTAWHHG-UHFFFAOYSA-N	400.347	3.955	10	20	HHCD	
CCCc1cnc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1	756101724	ZYHSEFHSXIJLGW-UHFFFAOYSA-N	400.548	3.587	10	20	HHCD	
C[C@@H](NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756502344	HFHXTYXLTQPIPA-AUUYWEPGSA-N	405.882	3.678	10	20	HHCD	
C[C@H](NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cc(F)ccc1O	756774819	LGPWCDFDCNACKU-NSHDSACASA-N	407.385	3.554	10	20	HHCD	
CC(C)CN1CC[C@@H](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	756987958	BALSAJXZKSQHCX-KRWDZBQOSA-N	424.536	3.534	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1Cl	757856872	OSAGMTXCVAFIEV-GOSISDBHSA-N	416.905	3.920	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	758729934	QXIPAZAKAVHNOF-DOTOQJQBSA-N	422.545	3.727	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCc1cc(Cl)c2c(c1)OCCO2	759555860	YXMPLFDNKPXSOJ-UHFFFAOYSA-N	413.952	3.592	10	20	HHCD	
O=C1O[C@H](COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)CC12CC2	762191324	NVWHTQIBCIUVAV-INIZCTEOSA-N	407.378	3.843	10	20	HHCD	
CC(C)(CO)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1	762230181	GAIHZHUPASWREY-SFHVURJKSA-N	416.905	3.612	10	20	HHCD	
CO[C@@H](c1ccccc1F)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	762290630	GZTJFOZCTRRGIW-HXPMCKFVSA-N	406.841	3.725	10	20	HHCD	
CCc1noc2ncc(S(=O)(=O)Nc3cccc(N4CCC(C)CC4)c3)cc12	762573745	FZQAVSIEMGJKKP-UHFFFAOYSA-N	400.504	3.822	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccncc3Br)cc2F)C[C@H](C)O1	763280834	JNFHZLDQOYCIPL-STQMWFEESA-N	422.298	3.527	10	20	HHCD	
O=C(NCc1ccc(OC2CCCC2)nc1)NCc1cccc(Br)c1O	764764424	PRXBOMCBVOGGDX-UHFFFAOYSA-N	420.307	3.871	10	20	HHCD	
CC(C)(C)c1csc(CCNC(=O)NCc2cccc(Br)c2O)n1	764781600	XFDMLLNHAQZLMD-UHFFFAOYSA-N	412.353	3.951	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cnn(Cc2ccccc2)c1	765292178	AEBUDVZVTOMDRI-UHFFFAOYSA-N	401.264	3.721	10	20	HHCD	
CCOc1cc(NC2CCN(Cc3c(O)ccc4ccc(OC)cc34)CC2)ncn1	767525578	RODUFGDEBASHJU-UHFFFAOYSA-N	408.502	3.819	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncc(Br)c1	768915380	KORPWKGLUAMIGW-INIZCTEOSA-N	424.726	3.598	10	20	HHCD	
Cc1nc2ccccc2n1CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	772258215	JDPPVEHAHCAZFS-IAGOWNOFSA-N	424.520	3.804	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C	772603123	OSNOVCWIRVQSRG-LPHOPBHVSA-N	416.566	3.656	10	20	HHCD	
C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)c(F)c1	772875206	KGWFNZWJAFINQF-PKOBYXMFSA-N	421.557	3.930	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	773630594	UWKAZFMAQDFRFW-BEFAXECRSA-N	414.937	3.962	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc(F)cc1F	774920574	SHRGVCKZEKGBLS-OAHLLOKOSA-N	403.473	3.645	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1	775394309	KWMKITOYVUYYTR-ZJOUEHCJSA-N	409.534	3.711	10	20	HHCD	
CC[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cc(Cl)ccc1O	775496246	DLUISFHDCFSIPQ-HXUWFJFHSA-N	404.938	3.998	10	20	HHCD	
COc1ccc([C@@H](CNCc2cc(OC)c(OC)cc2O)N2CCCCC2)cc1	775794908	ANPGDUZNRBTRFE-HXUWFJFHSA-N	400.519	3.735	10	20	HHCD	
CN(CCOc1cccc(CNCc2cccc(Cl)c2O)c1)C1CCOCC1	776163275	GZLOCQLGYWADPK-UHFFFAOYSA-N	404.938	3.825	10	20	HHCD	
COc1cc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1N1CCCC1=O	777545193	QJXUYOOMEUZRIS-INIZCTEOSA-N	413.493	3.971	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CSc1ccc(F)c(F)c1	777827661	FLQMFLXHHJOMEB-UHFFFAOYSA-N	415.845	3.618	10	20	HHCD	
CC(C)(C)C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F	778620637	PJTGMLCFZBQYOV-MRXNPFEDSA-N	405.436	3.829	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(C)c1C(F)F)c1ccc(N)cc1	783486633	QHCUOWIETFRNCP-ZDUSSCGKSA-N	413.428	3.673	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)nn1[C@@H](C)C1CC1	784643221	IUOBLNRWNQVVGB-INIZCTEOSA-N	422.485	3.629	10	20	HHCD	
CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	787877535	OTZTYJBRHVPTFH-JOCHJYFZSA-N	423.557	3.910	10	20	HHCD	
CC(C)COC(=O)[C@H](C)NCc1cc(Br)cc(Br)c1O	789577808	SHMGIZGHCSDZFG-VIFPVBQESA-N	409.118	3.595	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1C	789727286	KKGLABUJPZXYCT-UHFFFAOYSA-N	406.533	3.645	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c1C	789728839	ZZGPOSFRURYYOS-UHFFFAOYSA-N	424.573	3.750	10	20	HHCD	
Cc1ncc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1	800636358	KDVGVDXTLQTLLJ-LBPRGKRZSA-N	406.939	3.596	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4cc(F)ccc43)cc2F)C[C@@H](C)O1	802005795	XAFYCGWJUQQUHT-HUUCEWRRSA-N	401.457	3.851	10	20	HHCD	
CC[C@H](N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1cccc(Cl)c1O	806170133	OPVUZZVKGSMXKO-RBUKOAKNSA-N	418.921	3.905	10	20	HHCD	
Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1Cc1ccc(F)cc1	807836678	JZUCDUOJTVLKBZ-UHFFFAOYSA-N	409.248	3.716	10	20	HHCD	
CC(C)C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1	808078532	VMJPRLSYUVEXGN-CTNGQTDRSA-N	416.562	3.763	10	20	HHCD	
CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc4c(c3)CCN4Cc3ccccc3)[C@H]2C1	808445189	ALUGBUOIALJKGH-CCDWMCETSA-N	403.570	3.986	10	20	HHCD	
COC(=O)C(C)(C)CCNCc1cc(Br)cc(Br)c1O	809691900	NTEBBMLTWICQIN-UHFFFAOYSA-N	409.118	3.596	10	20	HHCD	
CCOCc1cc(CN[C@H](CO)c2ccc(Br)c(F)c2)ccc1OC	813792267	MNHGNDRHNJNRRO-GOSISDBHSA-N	412.299	3.957	10	20	HHCD	
COCc1ccccc1/C=C(\C)CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	814290295	FNYGIYGIMSWVAR-PGPKDTDWSA-N	407.558	3.728	10	20	HHCD	
CCC[C@@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	815785299	ZHXBYHKVSKNXMJ-MRXNPFEDSA-N	409.490	3.709	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O	819756559	YNCNLTBSGNHPPS-GOSISDBHSA-N	401.503	3.671	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3ncccc3c2=O)c(C)n1-c1ccc(F)c(Cl)c1	852350320	RAUPQCBTVKBIEI-UHFFFAOYSA-N	410.836	3.874	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2cccc(Cl)c2)on1	918138023	CIURUGKCYTWGPR-UHFFFAOYSA-N	415.852	3.901	10	20	HHCD	
Cc1cc(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c(C)n1-c1ccccn1	918349090	YCXPBFJHXOZLMV-UHFFFAOYSA-N	408.546	3.600	10	20	HHCD	
C[C@H](OC(=O)CCC(C)(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	919292379	PGIXNZLONHRDLC-LBPRGKRZSA-N	415.392	3.768	10	20	HHCD	
C[C@@H]1CCC[C@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	920010039	PJOZUUKOCRIGLV-KGLIPLIRSA-N	406.438	3.926	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)no1	920870741	CAZURDUXASNFEF-OAHLLOKOSA-N	407.474	3.764	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)cc1	1116851466	GYULTUBKPKLQEF-UHFFFAOYSA-N	421.856	3.677	10	20	HHCD	
C[C@]1(C2CC2)NC(=O)N(c2cccc(CNCc3ccc(N4CCCC4)cc3)c2)C1=O	1322314153	CEDDTGQPJHUVET-RUZDIDTESA-N	418.541	3.802	10	20	HHCD	
COc1ccc(CNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c(O)c1	1326863507	LPTRLOSDSSOUJS-UHFFFAOYSA-N	414.465	3.942	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCNS(=O)(=O)c1ccc(F)cc1Cl	1339983879	WLWVOSFWCOHABU-WFASDCNBSA-N	412.914	3.610	10	20	HHCD	
Cc1cc(-c2nnc(CNS(=O)(=O)c3cccs3)o2)c(C)n1-c1ccccc1	1341252779	HDGCSYVUTFIWOE-UHFFFAOYSA-N	414.512	3.684	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H]2CCC=CO2)C3)cc1	1845398917	RPZCVYUYBRYWBQ-JOCHJYFZSA-N	419.525	3.604	10	20	HHCD	
Cc1cc(CN2CCN(CC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)CC2)on1	22254757	UNCOLCPKQZEJOD-UHFFFAOYSA-N	410.493	3.530	10	20	HHCD	
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc2c(c1)CCCN2C	109467922	BAOJFMSENLELDJ-QFIPXVFZSA-N	407.558	3.838	10	20	HHCD	
Cc1cc(C(=O)NCc2nnc(S)n2C2CC2)c(C)n1-c1cccc(Cl)c1	111201167	KBFPLRSRGXXZCX-UHFFFAOYSA-N	401.923	3.893	10	20	HHCD	
O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)cc2)N1Cc1cccnc1	139540680	CXWODOXSQGDGEV-QHCPKHFHSA-N	400.482	3.685	10	20	HHCD	
CS(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	302072083	HECYLGDHBUNYCO-UHFFFAOYSA-N	414.449	3.558	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2COc3ccc(F)cc32)C1	436003839	IPQUWVVQHWNRJZ-HXUWFJFHSA-N	407.489	3.797	10	20	HHCD	
Cc1cccc(I)c1C(=O)N1CCOc2cc(N(C)C)ccc21	475963940	BCOBKAVBGZOANV-UHFFFAOYSA-N	422.266	3.705	10	20	HHCD	
COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1-n1nnnc1C	726548049	XIQUBRYTZBFWNP-UHFFFAOYSA-N	416.485	3.948	10	20	HHCD	
Cc1ccc(CN(CC(=O)Nc2nccs2)c2ccc3c(c2)OCCO3)s1	727149821	AWFOZPLHDVDLMB-UHFFFAOYSA-N	401.513	3.930	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(-c3cccs3)nn2CCO)c(C)n1-c1ccccn1	727384757	UFCVTOOMQOXPHF-UHFFFAOYSA-N	407.499	3.659	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3cccc4ccccc34)cc2F)CC1	730192918	QKQCLUYUSNMBFI-UHFFFAOYSA-N	405.517	3.980	10	20	HHCD	
Cc1nccn1-c1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cn1	731049954	XLZRGGBTKFGRPC-UHFFFAOYSA-N	418.545	3.811	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1F	731346794	WECQGKLCTFSKQC-QFIPXVFZSA-N	411.521	3.522	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cc(Cl)cc4cccnc34)c2)CC1	739768650	VDWAQQRZGYRQBB-UHFFFAOYSA-N	408.889	3.842	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	741908450	APYGIIZODDITCV-HUUCEWRRSA-N	401.438	3.586	10	20	HHCD	
O=C(Nc1cccc2c1OCCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743117560	MKSQLTRMCHOTGA-AWEZNQCLSA-N	419.428	3.850	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1	743156311	MXLNZAAZNUHFPM-UHFFFAOYSA-N	417.531	3.744	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(-n2cccn2)c1	745592511	IPSXJEWEWCDAPE-SFHVURJKSA-N	421.570	3.986	10	20	HHCD	
CCc1nc2c(s1)[C@@H](N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCC2	749446067	YTWWQZCONAFDEH-IBGZPJMESA-N	400.592	3.739	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	749551962	KUJLJEHYHHYGLX-GBXCKJPGSA-N	406.574	3.997	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)C2CC2)cc1	749632910	LNKJASAWGBPOOC-UHFFFAOYSA-N	414.937	3.602	10	20	HHCD	
COc1ccc(-n2ccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)n2)cc1	751305992	NEKIJKLAPUNTHJ-UHFFFAOYSA-N	410.437	3.843	10	20	HHCD	
CCOC(=O)c1ccc(N2CC(N[C@H](C)c3ccc(N4CCCCC4)cc3)C2)nc1	753740694	GVOHVIPMIGKSDU-GOSISDBHSA-N	408.546	3.788	10	20	HHCD	
CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccs1	754548448	OAZPVTMPMQRNLL-IBGZPJMESA-N	418.474	3.730	10	20	HHCD	
C[C@H](N[C@H](C)c1cc(Br)cc(Br)c1O)C(=O)NC(C)(C)C	756488251	MGDMLONEUXYILB-BDAKNGLRSA-N	422.161	3.871	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(NC(=O)c3ccncc3)cc2)c1	756511021	KWNXAFQTJQKWAA-HNNXBMFYSA-N	405.454	3.677	10	20	HHCD	
C[C@@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1cc2c(cc1O)CCCC2	756548686	BYXLUTPFLIYCER-WZONZLPQSA-N	421.585	3.819	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](c1ccc(C)cc1)n1cncn1	756690946	KKZRWXYRXYCCAV-RBBKRZOGSA-N	424.524	3.659	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3ccccc3Cl)CC2)cc(OC)c1OC	758917421	LPKCJSWPQSSNBQ-UHFFFAOYSA-N	421.950	3.885	10	20	HHCD	
COCC1(O)CCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1	759327132	WOBOIGXQBLBDEO-UHFFFAOYSA-N	408.901	3.543	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1	759683511	NMUXVRWDDWEAMK-JOCHJYFZSA-N	422.573	3.721	10	20	HHCD	
COc1cc(N2CCN(CCOc3cc(C)cc(C)c3)CC2)cc(OC)c1OC	759876853	CQCOCVOTWWIENA-UHFFFAOYSA-N	400.519	3.530	10	20	HHCD	
CC(C)Oc1ccc(N(C)Cc2nnnn2-c2ccccc2Br)cc1	759934544	XYWKHTDLANYLCB-UHFFFAOYSA-N	402.296	3.848	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCC([C@H](O)c4nccn4C)CC3)c2C)c1	760870637	VVTJBDVVNKGECG-DEOSSOPVSA-N	420.557	3.764	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C3=Cc4cc(F)ccc4OC3)cc2F)C[C@H](C)O1	761358442	HBAOLSNKHITLCL-GJZGRUSLSA-N	414.452	3.671	10	20	HHCD	
CN(Cc1ccc(F)c(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	763191138	HNCQQBPGOFGKMT-UHFFFAOYSA-N	409.864	3.796	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H](OC)c3ccccc3Cl)CC2)cc1	763683053	OWJZYTANIFJHNK-OAQYLSRUSA-N	417.937	3.958	10	20	HHCD	
C[C@@H](OC[C@@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	764865185	UUVGWTDAVOAMKX-JPYJTQIMSA-N	418.965	3.747	10	20	HHCD	
Cc1cccc([C@H](O)CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	769127937	SSZZUTGFZQNICJ-YLJYHZDGSA-N	419.472	3.598	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(CC1CC1)CC1CC1	769864014	ORZLOKXBXWUBEA-UHFFFAOYSA-N	406.529	3.517	10	20	HHCD	
CN(Cc1cc(Br)ccc1O)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21	770390266	XQNCYUKCPBFDIB-AWEZNQCLSA-N	416.724	3.769	10	20	HHCD	
CC(C)c1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccccc1Cl	773761161	NYNCYQIXJUUHGY-CYBMUJFWSA-N	414.893	3.816	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](C)Oc2ccc(Br)cc2)c1O	775030189	REXVRCMNOVNFHX-NSHDSACASA-N	411.252	3.629	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)nc1-c1ccccc1	775209351	VKUFIGPVAKTTBI-UHFFFAOYSA-N	424.485	3.539	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cnn(CC(F)F)c3)n2)ccc1F	777670320	UVZWNBNBUQTBGK-UHFFFAOYSA-N	402.423	3.520	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cccc(C(=O)OC(C)(C)C)c2)SC1=S	777874459	BKDSJQVTHLDAQX-QINSGFPZSA-N	421.540	3.796	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(OCC(F)F)ccn2)cc1	778251762	JTALVBNOGYWXGO-IBGZPJMESA-N	419.472	3.613	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C2CCCCC2)cc1	784059535	MLEWEOBGPGVJEY-JOCHJYFZSA-N	423.513	3.741	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccn(C)n2)c(C)n1-c1ccc(OC(F)F)cc1	785677486	HIYJWWGRBMBHSG-CQSZACIVSA-N	417.412	3.857	10	20	HHCD	
CCS(=O)(=O)c1ccc(NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	786053758	VCQCOCINNFWQAA-IYBDPMFKSA-N	406.523	3.845	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(-c4ccoc4C)on3)CC2)cc1F	786218349	OQQCIKPOFLDROO-UHFFFAOYSA-N	400.410	3.745	10	20	HHCD	
Cc1oc2c(CN(C)[C@H](C)CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccccc1	788376865	IZIRPMBBSPBKCP-QGZVFWFLSA-N	422.525	3.627	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc(C3CCC3)cs2)cc1	789370776	UUPSKGZXCUJQQH-UHFFFAOYSA-N	400.548	3.854	10	20	HHCD	
CN(C)c1ccc(CNC[C@@H](O)COc2ccc(F)c(F)c2)c(C(F)(F)F)c1	792968643	WQAGJIPJNKOQOE-CQSZACIVSA-N	404.379	3.579	10	20	HHCD	
CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1	795547203	LPDKWNHHHLMYLN-UHFFFAOYSA-N	408.526	3.778	10	20	HHCD	
Cc1cc2c(cc1S(=O)(=O)Nc1nc(-c3cccc([N+](=O)[O-])c3)cs1)OCO2	795612547	WOMZKEZCARFIRY-UHFFFAOYSA-N	419.440	3.556	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c1O	797039883	LVCHIBDRFLDLIB-HOCLYGCPSA-N	410.356	3.794	10	20	HHCD	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	798388175	PYXMRGXRBIQIRF-GFZDYNDISA-N	415.578	3.555	10	20	HHCD	
COc1ccc(C2=NO[C@@H](CNC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)cc1C	801368746	BPSJIDWSFMJMBJ-LJQANCHMSA-N	418.497	3.729	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c1	801918224	ZYHHBRIIYOCAAM-GFCCVEGCSA-N	423.872	3.913	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(-c4cccc(C)n4)n3CC(C)C)CC2)cc1F	802671555	QNZYLDDOYZGFFQ-UHFFFAOYSA-N	424.524	3.779	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1	805145795	XUUPLMXKHICQLQ-LJQANCHMSA-N	405.420	3.614	10	20	HHCD	
CC(C)(C)c1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1	806504931	QTUMQVHECNESBB-UHFFFAOYSA-N	422.451	3.560	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc2n(n1)CCCC2)c1ccc(N)cc1	807001677	BTXDGDLWHROKCN-INIZCTEOSA-N	403.486	3.535	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1	807179633	XGTMFZOHYIZCQO-GGAORHGYSA-N	407.558	3.629	10	20	HHCD	
COc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c2cccnc12	807513330	ZFIKYUDOQNVYPW-UHFFFAOYSA-N	420.252	3.511	10	20	HHCD	
CC(C)(CNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1=CCCCC1	809794939	KYAXOVRXXNZTGT-FQEVSTJZSA-N	414.546	3.543	10	20	HHCD	
Cc1nnc(CCNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1	811914989	YWULFEMYZZJIAQ-ZDUSSCGKSA-N	407.971	3.778	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C(=O)OC)cc1	815564941	XXFJSMMUNKDKEA-OAQYLSRUSA-N	400.494	3.814	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@H]1CCCS(=O)(=O)C1	815951488	GDRWWXSPHQRCCR-QZTJIDSGSA-N	401.528	3.697	10	20	HHCD	
CCOc1nccc(C)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472970	PZWXQBUNYTWKFK-KRWDZBQOSA-N	403.910	3.542	10	20	HHCD	
COc1cc(C)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC	917658173	TZWCFYYFKVNFNS-UHFFFAOYSA-N	406.548	3.678	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4ccc(F)cc4s3)cc2)C1	917833226	OWXHKMLZUQXODX-INIZCTEOSA-N	411.502	3.672	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2N2CCCCC2)cc1	918428892	ARYGHLWHALXIFL-UHFFFAOYSA-N	408.546	3.778	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)COc3cccc(F)c3)CC2)cc1	918782187	MJKHGNPZOBFQGU-KRWDZBQOSA-N	401.482	3.524	10	20	HHCD	
COc1cccc(N2CCC(NC(=O)NCc3ccc(N4CCCC4)cc3)CC2)c1	1324579485	CHYYZDDTLLCUBA-UHFFFAOYSA-N	408.546	3.764	10	20	HHCD	
CNC(=O)Cc1ccccc1NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1331696501	GZBKYOLSATZZBI-UHFFFAOYSA-N	404.514	3.747	10	20	HHCD	
CC(C)=CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2	1799991436	TZOQXHJCHUTTGT-MUJYYYPQSA-N	406.910	3.749	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccccc1	71565006	DRHABRXEXQIMFQ-UHFFFAOYSA-N	422.915	3.980	10	20	HHCD	
Cc1c(CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n(C)c2ccccc12	471235003	KTLRNPNQQMICQT-HXUWFJFHSA-N	403.526	3.584	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1	726625524	JBQSRTQKPOQMBH-PXNMLYILSA-N	418.452	3.723	10	20	HHCD	
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	727850693	HGYWRTIRHZYBOW-FQEVSTJZSA-N	413.537	3.997	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)O[C@@H](C)C2	728942466	ULNHVEKVRCFZKP-KBPBESRZSA-N	400.475	3.683	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cccc(OC(F)F)c3)cc2F)CC1	730134155	PQEDHYCKPXMBDX-UHFFFAOYSA-N	422.451	3.891	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](c4nnc5n4CCC5)C3)c2C)cc1	730222968	WQJIFCBAGOCVCI-SFHVURJKSA-N	419.529	3.660	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)c1cnn(-c2ccccc2)c1	733777200	REUJGHZOKIXLKO-UHFFFAOYSA-N	402.498	3.704	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1	734687305	UGURPEKAFNUYTQ-UHFFFAOYSA-N	400.954	3.742	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccn1	736467512	CFUBARNSXZMKIL-OWBHPGMISA-N	403.554	3.788	10	20	HHCD	
Cn1c(CCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc2cc(F)ccc21	736641943	OZLHMOWFNBLPKC-UHFFFAOYSA-N	411.481	3.943	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)NC(C)(C)c3cccc(C)c3)CC2)cc1	737030032	LJBUFBNFJSBAQH-UHFFFAOYSA-N	424.589	3.750	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC2)cc1	737518178	XELZLDNIGWMACL-UHFFFAOYSA-N	419.566	3.817	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1	741069611	YLGAINVWPOFUKO-UHFFFAOYSA-N	404.536	3.534	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](Cn3cccn3)c3ccccc3)CC2)cc1	741406893	CRIFCJHQAGRUDM-QHCPKHFHSA-N	419.529	3.601	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	741429899	AZVZBGBHXOJXRQ-RDPSFJRHSA-N	424.589	3.574	10	20	HHCD	
COc1ccc([C@@H](NC(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1	741796015	YYLHBNWNMQEUIH-QFIPXVFZSA-N	416.518	3.671	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C)C(F)(F)F)c(C)n1-c1ccc2c(c1)OCCO2	745617788	UPWQXMLUECIJQT-GFCCVEGCSA-N	411.376	3.790	10	20	HHCD	
CC(=O)c1cc(CN(C)Cc2cc3ccccc3o2)c(O)c(CN2CCOCC2)c1	747469075	YSIYGKNWZLKCHO-UHFFFAOYSA-N	408.498	3.805	10	20	HHCD	
CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2C)c1C	748379250	WIZYDWWKIUSFTK-OAQYLSRUSA-N	410.514	3.920	10	20	HHCD	
CCc1cc(N2CCC(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)ncn1	748501780	CNUDPRZVCGVIRX-UHFFFAOYSA-N	403.530	3.845	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H]3CCN(C4CCN(C)CC4)C3)c2C)c1	749389908	HZOBDOYXTAMASS-NRFANRHFSA-N	408.590	3.609	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1	749615553	WWWCYOUJHABGKP-HDICACEKSA-N	414.619	3.786	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)oc1C	751136132	DEFIZHIGIVJJOK-UHFFFAOYSA-N	407.488	3.604	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	752149851	OMUSKUFQVZZMPV-RBSFLKMASA-N	418.513	3.647	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCn1c(O)nc2ccccc21	753037491	HNNOWJRADPFRAM-UHFFFAOYSA-N	407.518	3.574	10	20	HHCD	
O=C(NCCc1ccc(F)c(F)c1F)N(Cc1ccccc1O)C[C@@H]1CCCO1	753284502	WQMMFJVECVAUSI-INIZCTEOSA-N	408.420	3.743	10	20	HHCD	
CCCCCn1nc(C)cc1NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753894525	KDXLDRTWFKKBON-UHFFFAOYSA-N	403.502	3.884	10	20	HHCD	
C[C@H](CSc1ccc(F)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	755418773	DWAPESNRLUPACH-OAHLLOKOSA-N	420.525	3.971	10	20	HHCD	
Cc1ccc(-c2nc(C(=O)NCc3ccc(N4CCSCC4)cc3)cs2)n1C	758491724	MIKVLOBMJWTKNM-UHFFFAOYSA-N	412.584	3.940	10	20	HHCD	
CCN(CC(=O)NCc1cccs1)C(=O)CSc1ncc(C(C)(C)C)s1	759720177	XZYOZWWZHHVQFQ-UHFFFAOYSA-N	411.618	3.759	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(I)ccc1F	761840502	CYWLYRRZGBPUQW-UHFFFAOYSA-N	412.246	3.769	10	20	HHCD	
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	763282510	XTLILQZBDHLELB-HNNXBMFYSA-N	420.465	3.720	10	20	HHCD	
COc1ccc(N2CCC(NCCC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1	766418179	PJMZGKFGGQLUBB-UHFFFAOYSA-N	417.937	3.944	10	20	HHCD	
CC(=O)Nc1ccccc1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	766635800	CFDXDEWCWZNENY-UHFFFAOYSA-N	417.456	3.574	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1	766834505	DVLUBINWUQEXNS-RTBURBONSA-N	408.329	3.859	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(OC(C)C)c(OC)c3)CC2)cc1F	767972217	FZHQLIQLTDGAIG-UHFFFAOYSA-N	417.481	3.984	10	20	HHCD	
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	769741248	KDFNFRAUCXGXEL-PKOBYXMFSA-N	402.516	3.562	10	20	HHCD	
C[C@@H](OC(=O)C1(F)CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	772785710	ZDEYNYWTFIOFMQ-CYBMUJFWSA-N	409.413	3.615	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1O	772831116	XSXXFHCCAQPXSU-AVRDEDQJSA-N	406.526	3.778	10	20	HHCD	
C[C@@H](NCCc1nc2cc(F)ccc2n1C)c1ccc(N2CCOCC2)c(F)c1	773003191	AXXMOKOGHWAVGA-OAHLLOKOSA-N	400.473	3.581	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)n2)cc1	775139451	BTQBYFPOHAQDME-UHFFFAOYSA-N	416.450	3.932	10	20	HHCD	
COc1cccc(OC)c1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1	775139476	FHPLUCHOQMCKLJ-UHFFFAOYSA-N	412.439	3.906	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1Oc1ccccc1	776116467	CHOUCFLTRVXMFV-DNVJHFABSA-N	409.530	3.711	10	20	HHCD	
FC(F)(F)c1nnc(N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)s1	777219904	OESJSVSYBLCHFA-UHFFFAOYSA-N	411.497	3.869	10	20	HHCD	
CSc1ccncc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782424911	HPWFSZIOFUOJSF-UHFFFAOYSA-N	424.526	3.630	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)c3ccc(S(C)(=O)=O)cc3)sc2n1	782482147	KRKPUMIDWXCHLB-GFCCVEGCSA-N	404.513	3.817	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CC[C@H](Cc2ccccc2)C1	782558552	OAXBHMVKZYELCO-TZIWHRDSSA-N	411.521	3.873	10	20	HHCD	
C[C@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(Br)ccc1O	783646745	CWLGTDFVGVJHBU-KXBFYZLASA-N	405.336	3.879	10	20	HHCD	
Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)NCCCSc1nccs1	784476619	JXXDTFINHHUSKF-UHFFFAOYSA-N	404.561	3.895	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCC1(c2ccccc2)CCCCC1	789102963	KMUMEMGXAXNRGC-UHFFFAOYSA-N	417.553	3.697	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2CC)cc1Br	790410688	AHNRQMMQIQEMNZ-UHFFFAOYSA-N	400.294	3.917	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1	791032592	YGHUMEBCUUHOPH-NRFANRHFSA-N	412.555	3.500	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1F	794399952	SQHRBNHGOUVTNU-UHFFFAOYSA-N	406.527	3.598	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC2CCCC2)c(O)c1	797389384	DZXWHGZGUYIRBV-UHFFFAOYSA-N	418.877	3.631	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1	797647505	GRNQNGARJJWPDI-LBPRGKRZSA-N	418.856	3.888	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2nnc(C(C)(C)C)s2)cc1	798284980	QMTHNIICMSWNET-QGZVFWFLSA-N	402.564	3.723	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(c2nnc(Sc3ncc([N+](=O)[O-])s3)n2Cc2ccco2)C1	799927662	DOBLUZHDCUAKPW-TXEJJXNPSA-N	420.520	3.918	10	20	HHCD	
CCc1ncsc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800637144	UIIWPDKYDRBJJG-CYBMUJFWSA-N	420.966	3.850	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](COCCOC)C1	801938523	GDQHJDSJUSMMNG-FQEVSTJZSA-N	423.561	3.862	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2	802609703	JIWPGTIMAFKSSB-UHFFFAOYSA-N	418.877	3.584	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCC1	804341964	CCDPSNRXOIJWCE-UHFFFAOYSA-N	413.949	3.569	10	20	HHCD	
O=C(Nc1cc2n(n1)CCCC2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806719803	FYYGCQVTJBFXRY-AWEZNQCLSA-N	405.449	3.611	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1SCCc2ccccc21	807687997	WGOHAFHAZVBJKD-NRFANRHFSA-N	412.555	3.668	10	20	HHCD	
COC(=O)COc1c(C)cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C	807836494	YLJRRLCRSNKIRZ-UHFFFAOYSA-N	412.269	3.798	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1OC	811702948	IGZSOGJGEYKLBB-UHFFFAOYSA-N	415.895	3.789	10	20	HHCD	
Cc1nn(C)c2cc(NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12	812445872	CSFYUARYVBBWLI-UHFFFAOYSA-N	424.460	3.708	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(COCCOC)cc1	812524213	IRLZGEWSNHXURG-UHFFFAOYSA-N	422.319	3.980	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H](c3ccc(OC)c(OC)c3)N(C)C)CC2)cc1	812821348	BRJOFPVKMXDCLZ-QFIPXVFZSA-N	413.562	3.574	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@](C)(O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	815062659	NAMPNLROQHPYLX-ZCCHDVMBSA-N	420.912	3.617	10	20	HHCD	
O=C(Nc1cc(F)cc(F)c1F)C(=O)N(Cc1ccco1)Cc1ccccc1O	815361188	HXFWSXDIUGWJKL-UHFFFAOYSA-N	404.344	3.570	10	20	HHCD	
Cc1cc(CCNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c(C)n1-c1ccccc1	915262006	OMJBTANJNOHREV-QFIPXVFZSA-N	422.573	3.681	10	20	HHCD	
Cc1cnn(-c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2)c1	917710045	ADOPDXKHRNHAES-ROUUACIJSA-N	422.504	3.863	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc(Cl)nc2)nc1-c1cccc([N+](=O)[O-])c1	917925878	OXVWDZFPYADHST-UHFFFAOYSA-N	410.864	3.876	10	20	HHCD	
CCOc1ccc(OC(C)(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	920880754	GFUHFNUFMHBBRZ-GOSISDBHSA-N	412.530	3.957	10	20	HHCD	
O=C(NCc1nc(CNCc2ccc(N3CCCC3)cc2)cs1)c1ccccc1	1116212952	NFTDYCPTDLTCEH-UHFFFAOYSA-N	406.555	3.963	10	20	HHCD	
COc1ccc(CSCC(=O)Nc2c(Cl)ccc3nonc23)cc1[N+](=O)[O-]	1117549004	YZWQEVCNRKCFAW-UHFFFAOYSA-N	408.823	3.665	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)c1	1322659710	FCAOAKKAHOBCSF-KRWDZBQOSA-N	408.951	3.787	10	20	HHCD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)no1	1842497727	XSFAHKNZTIGBHG-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
Cc1oncc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1845398134	BYJOZMAYTHFBKO-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1ccc(N2CCCCC2)cc1	10056336	QXWOQVIKQLGEFA-QFIPXVFZSA-N	420.601	3.846	10	20	HHCD	
Cc1cc(C(=O)Cn2cnnc2[S@@](C)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	303470271	QJOQXPOZLPCGOE-AREMUKBSSA-N	411.314	3.613	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCc4ccccc4C3)cc2F)CC1	303584266	PYVVZMPGCKRBDG-QFIPXVFZSA-N	424.564	3.667	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3nn(-c4ncccc4F)cc3C)ccc21	448179762	KSVBYFKHXBWKLM-UHFFFAOYSA-N	421.476	4.185	10	20	HHCD	
Cc1c(CNC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)n(C)c2ccccc12	471224979	YBMFWEHNLQUDJL-UHFFFAOYSA-N	417.553	3.974	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1	725863580	GHPBPCNNYHQFCJ-LJQANCHMSA-N	418.582	3.979	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1COc2ccccc2C1	726565743	SAPAWSAULZDQRP-MRXNPFEDSA-N	402.441	3.624	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccnc(OC4CCCC4)c3)CC2)cc1	726612537	CBQZZBNUDMAMPZ-UHFFFAOYSA-N	424.545	3.880	10	20	HHCD	
C[C@H](Cc1cccc(O)c1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726709679	WSJZXDBEURZDRC-OAHLLOKOSA-N	419.472	3.893	10	20	HHCD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cs1	728696846	GHXGWVBGVNJLNZ-XDHOZWIPSA-N	418.478	3.598	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)c1	729050126	WKUOQZAYNHBMGU-LSDHHAIUSA-N	407.511	3.551	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)c1	729280032	HJFDOZYGACHQQZ-QWRGUYRKSA-N	411.285	3.703	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C(=O)NCCCc2ccccc2)c(C)n1-c1ccccc1	729287571	BPDLQGJWINDAIZ-UHFFFAOYSA-N	418.493	3.569	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(CCC(N)=O)Cc3ccccc3)cc2)CC1	731116150	JTKDOQOHYRJUMK-UHFFFAOYSA-N	408.546	3.510	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C3(S(=O)(=O)c4ccccc4)CC3)cc2)CC1	731344933	RDWFGLIOXSEWIS-UHFFFAOYSA-N	412.555	3.546	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1cccc(N2CCCC2=O)c1	731847155	FSVYBWCQOKBQHW-UHFFFAOYSA-N	407.514	3.902	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@@H](N3CCCC3=O)C2)c(C)n1-c1ccc(Cl)cc1	732150453	BTQWYKGJVHQPFM-OAQYLSRUSA-N	413.949	3.903	10	20	HHCD	
C[C@@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1	733138300	FMYGJYRDNZUZLV-QGZVFWFLSA-N	409.530	3.999	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C	734666066	VDZUTRCVRSGNOX-LJQANCHMSA-N	404.555	3.650	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)CC2)cc1	735686621	FZJXYWOQFZXRIP-UTKZUKDTSA-N	403.567	3.805	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1C(C)(C)C	742799143	HHBYKBDTUCRRSM-OAHLLOKOSA-N	406.477	3.947	10	20	HHCD	
O=C(/C=C\c1ccc2c(c1)OCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799364	XWJUGDSHZNFXRC-AGHZKPIHSA-N	416.424	3.815	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743503297	SRBDSTQDLXMUSI-INIZCTEOSA-N	405.445	3.765	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)cc1	743890820	AGJPTPVHVGVBJI-UHFFFAOYSA-N	407.436	3.893	10	20	HHCD	
Cc1cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)c(C)n1-c1ccc(C(C)C)cc1	746817463	ZCRIWQCGJFJVMZ-ZDLGFXPLSA-N	413.568	3.904	10	20	HHCD	
CCc1cccc2c1N(C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)CC2	746990072	MMVHXXCUKRIMJN-UHFFFAOYSA-N	404.466	3.666	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](Cc3ccccc3)[C@@H]2C)c1	747467617	KVHORNRUFMQELE-SIKLNZKXSA-N	422.569	3.880	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3ccc4cc(C(C)=O)ccc4c3)CC2)cc1	748780080	AXGLAWHVEVOMSC-UHFFFAOYSA-N	418.493	3.779	10	20	HHCD	
CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	748845885	JDHROCZLTOWSOP-FQEVSTJZSA-N	420.912	3.914	10	20	HHCD	
CC(C)(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1=O	749770326	RKOMMBUBRDTENA-GOSISDBHSA-N	407.474	3.556	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(N2CCOCC2)c(F)c1	751302211	LIJLUQXCIKTZQU-UHFFFAOYSA-N	417.444	3.624	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1ccc(COC2CCOCC2)cc1	752690128	XPYMHASYDBQCCH-UHFFFAOYSA-N	421.588	3.820	10	20	HHCD	
Cc1cc(C(=O)NC2(c3ncon3)CCOCC2)c(C)n1-c1cccc(Cl)c1	753727300	GCVHLPBIVJBWRJ-UHFFFAOYSA-N	400.866	3.566	10	20	HHCD	
CC(C)Oc1cc(CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C2CC2)ccn1	753863000	RZKMRAVHJIYAHF-UHFFFAOYSA-N	410.562	3.558	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1cc(Cl)ccc1N1CCOCC1	753944760	LNZCIEVQIGBZIM-UHFFFAOYSA-N	412.968	3.937	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)cc1F	757028355	YPWPOOQUDCAEHS-HXUWFJFHSA-N	412.509	3.969	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(Br)c(C)c3)CC2)cc1F	757054274	VKOFMAKSIPHLAH-UHFFFAOYSA-N	407.283	3.868	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc2c(cc1OC(F)F)OCO2	757250579	JHYRFFCEXKFWCZ-UHFFFAOYSA-N	421.444	3.814	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc(OCc2ccccc2)cn1	757856031	XQWBINZPUVZGBI-UHFFFAOYSA-N	420.538	3.539	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)CC2)cc1	758091809	XCGXKMMZSDDFHU-UHFFFAOYSA-N	413.478	3.707	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3OC(F)F)cc2)C1	760490771	JNKFDVQRIILOSC-AWEZNQCLSA-N	420.416	3.510	10	20	HHCD	
COc1cc(Cl)cc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1O	761205619	HEPKBULSCGOIDU-OAHLLOKOSA-N	414.811	3.968	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3noc(-c4ccccc4)n3)CC2)cc1	761656225	SXLVLPHAYQSEOM-INIZCTEOSA-N	421.501	3.774	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-c2cc[nH]n2)s1	762099907	NRLHUXNEHLPSAI-OAHLLOKOSA-N	416.934	3.892	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cc(Cl)cc2c1OCC2	762340829	SQPKOIBGXSATMK-UHFFFAOYSA-N	407.253	3.598	10	20	HHCD	
C[C@H](NCCc1ccnn1C)c1cc(Br)cc(Br)c1O	762779375	WKOFEQCAVKJWRF-VIFPVBQESA-N	403.118	3.544	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCC(=O)OCc3ccccc3)ccc21	766043952	ZTORCDSAMIPGKK-UHFFFAOYSA-N	408.498	3.768	10	20	HHCD	
CN(C)CCCC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	766761052	IPGJKFYVKCWUFK-UHFFFAOYSA-N	404.624	3.503	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H](CO)c1cccc(Br)c1	769527455	HUKGIUOJWMRZTK-HXUWFJFHSA-N	423.326	3.590	10	20	HHCD	
CCc1noc2ncc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc12	771064875	LJLHRSYFSQKNBM-INIZCTEOSA-N	414.893	3.539	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1O	775490835	DTJIJXMGDUIIBR-UZLBHIALSA-N	401.938	3.988	10	20	HHCD	
COC(=O)[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccc2ccccc2c1	779179707	XQFVUQTYJVIEKE-XMMPIXPASA-N	403.526	3.596	10	20	HHCD	
CCCNC(=O)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1	784107796	HGAPEBQMHJTEGE-UHFFFAOYSA-N	422.529	3.571	10	20	HHCD	
O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)N(Cc1ccco1)Cc1ccccc1O	785605390	ICLANDVFHACNFW-NLWGTHIKSA-N	410.514	3.989	10	20	HHCD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C	792206292	JRBMYHOEDIINSQ-QGZVFWFLSA-N	411.550	3.750	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1I	793414894	IMDWYDXYAJWKPC-UHFFFAOYSA-N	423.659	3.759	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCCC(C)(C)c2ccccc2)C2CC2)cc1	793954458	XVVDAYIFUVIOBU-UHFFFAOYSA-N	407.558	3.728	10	20	HHCD	
Clc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1CN1CCOCC1	797469724	XVKMFJUDGTULAP-UHFFFAOYSA-N	401.938	3.621	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c(NC(C)=O)c1	802609546	CUJIRYUFIKCPJK-UHFFFAOYSA-N	417.893	3.771	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc3nccnc3c2Br)cc1	806675582	QHNMFKNZAPFMCR-UHFFFAOYSA-N	400.280	3.780	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2cccnc2)cc1	807672664	FQPXIZZIVMIOBR-ZWKOTPCHSA-N	416.525	3.869	10	20	HHCD	
CCOC(=O)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc([N+](=O)[O-])c1	807836784	OTHJKSHZYIXHPO-UHFFFAOYSA-N	413.213	3.714	10	20	HHCD	
COc1cc(Cl)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C	808944706	MAKZHPFEDFZGOK-UHFFFAOYSA-N	417.676	3.924	10	20	HHCD	
O=C(N1CCCC1)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	844258265	YLAOQZAFJKYYRM-UHFFFAOYSA-N	418.335	3.641	10	20	HHCD	
Cc1cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)c(C)n1-c1ccccn1	914849724	SIWIDTIWHLUIHS-OAQYLSRUSA-N	403.461	3.881	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(OC(F)F)cc3)cc2F)C[C@@H](C)O1	917714951	XEBFVWLZDBEFQJ-GASCZTMLSA-N	422.447	3.900	10	20	HHCD	
CCCc1nc(CSCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cs1	917954844	VZYZWJKPHUEVOD-UHFFFAOYSA-N	405.589	3.686	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2c[nH]nc2-c2ccncc2)c(C)n1-c1ccccc1	919428799	UCIGCNGNUKTRBK-UHFFFAOYSA-N	400.438	3.919	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCn2cc(Cl)cn2)c(C)n1-c1cccc(F)c1	919572302	SHOXGYFUOMBBQG-UHFFFAOYSA-N	403.841	3.899	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@@H]2OCCC[C@@H]2C1	1203562970	RQVKXIDPVJEYOW-YGRLFVJLSA-N	405.130	3.918	10	20	HHCD	
Cn1nc(Br)cc1/C=C1\SC(=S)N(c2cccc(F)c2F)C1=O	1321297291	RKBBQSXWFCHWIL-YHYXMXQVSA-N	416.272	3.867	10	20	HHCD	
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	7370696	YPLCHHOMGHFHKD-MRXNPFEDSA-N	412.465	3.768	10	20	HHCD	
COc1ccc(CC[C@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	109311250	OSYYXSPKFNUSID-IBGZPJMESA-N	411.546	3.695	10	20	HHCD	
Cc1cc(-c2csc(-c3ccncc3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	23623251	GRPXEEPVGPAPOU-UHFFFAOYSA-N	410.524	3.927	10	20	HHCD	
COc1ccc(-c2nc(CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)n[nH]2)cc1	110980607	KBRBKNSUWVBGRE-UHFFFAOYSA-N	401.470	3.818	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccsc3)C2=O)c(C)n1-c1ccccc1	72066422	GHLLPHRSFTXLMZ-JOCHJYFZSA-N	407.495	3.806	10	20	HHCD	
Cc1ccccc1-n1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C	145642075	RBTSNRAZQMQNEM-GOSISDBHSA-N	404.514	3.817	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1	437021137	RINMGTANVZTHGL-UHFFFAOYSA-N	423.900	3.655	10	20	HHCD	
CS[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	807763144	PQNROMOMGPBSQC-USXIJHARSA-N	424.010	3.593	10	20	HHCD	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21	475933500	MYHOKADUHHESOL-UHFFFAOYSA-N	400.548	3.910	10	20	HHCD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	807691714	QJCHPXXPQOUMNT-UZUQRXQVSA-N	405.542	3.683	10	20	HHCD	
COC(=O)C[C@H]1COCCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	809255585	HQFAATIHKPCVJJ-SFHVURJKSA-N	410.474	3.572	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nc(C)cs1	804887983	QOPGVERBDSAHMW-LJQANCHMSA-N	414.575	3.668	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1	802007523	MJNFNLUEGJZNLT-UHFFFAOYSA-N	418.545	3.988	10	20	HHCD	
O=C1N=C(SCC(=O)N2CCCC2=O)S/C1=C/c1csc2ccccc12	814771672	CBACKMUKEKMBKK-RIYZIHGNSA-N	402.522	3.754	10	20	HHCD	
Cc1c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cccc1-c1ncco1	815351747	NNCLPGXUVVFLSG-UHFFFAOYSA-N	404.470	3.505	10	20	HHCD	
COC(=O)c1ccccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	819426986	DLUVSZDEHSTHSE-UHFFFAOYSA-N	403.500	3.702	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nc(-c2cccnc2)no1	729604556	DFEXNBOMRZRCIS-SFHVURJKSA-N	412.469	3.533	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)c1	729037640	WJKIDTMCZGIMQN-AWEZNQCLSA-N	413.474	3.809	10	20	HHCD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726564433	JPAKROQTYOTUHW-XOBRGWDASA-N	418.440	3.602	10	20	HHCD	
Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3cc(O)cs3)cc2)cc1	732275478	FFGFUGUCOJYIAA-UHFFFAOYSA-N	410.495	3.752	10	20	HHCD	
COc1ccccc1N1C[C@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1=O	731016906	TXCQERLOZQTRFV-HXUWFJFHSA-N	421.541	3.601	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCc2ccccc2C1	916604567	IHUGIIYJAHMZJY-CVDCTZTESA-N	423.557	3.530	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(Cl)c2c(c1)OCCCO2	917386065	NXQOUMWKXUZEKU-UHFFFAOYSA-N	418.946	3.985	10	20	HHCD	
Cc1cc(NC(=O)COC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)no1	749985830	PENUVTVSRSSREU-UHFFFAOYSA-N	401.850	3.768	10	20	HHCD	
Cc1cc(CCNC(=O)NC2CCN(CC(F)F)CC2)c(C)n1-c1ccccc1	747309825	SUWYWDQCCAORKP-UHFFFAOYSA-N	404.505	3.665	10	20	HHCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1	742379490	COXXHRMPMHTWKR-XLIONFOSSA-N	408.502	3.869	10	20	HHCD	
CCN(CCCNC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)OC(C)(C)C	917110611	JQYRUDHOIOBTAI-UHFFFAOYSA-N	400.523	3.866	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)c2C)c1	749398819	FNHGSLNVYCLUMB-AZUAARDMSA-N	402.560	3.797	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1	742476206	NTNCIKRDMNZMKX-UHFFFAOYSA-N	415.559	3.759	10	20	HHCD	
COc1ccc(N(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC(C)C)cc1	747684393	ZVRFWOABEUIOPY-UHFFFAOYSA-N	424.545	3.534	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1	920047803	VERSDYCUZOCSIE-QFIPXVFZSA-N	410.562	3.894	10	20	HHCD	
CN(C)Cc1ccsc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	756099430	WMJKBPFCRIVNGS-UHFFFAOYSA-N	409.502	3.810	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c(C)o1	754692869	DGOGSKNKBNHJIK-UHFFFAOYSA-N	422.484	3.616	10	20	HHCD	
COc1cccc(-c2nc(C)c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)[nH]2)c1	756022134	XZOXJJIOVOZXLR-HXUWFJFHSA-N	421.497	3.921	10	20	HHCD	
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	755990512	JLSDGPOHUZDMCP-KRWDZBQOSA-N	404.555	3.732	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)c1	757730532	UJNROMGNFWPNPT-VQIMIIECSA-N	414.502	3.827	10	20	HHCD	
O=C(Cc1ccccc1Cl)N1CCN(Cc2cccc(Br)c2O)CC1	769125043	BMQRMIQFQIEDMC-UHFFFAOYSA-N	423.738	3.695	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1	769531116	ROCLSEWYXQQELC-UHFFFAOYSA-N	418.902	3.949	10	20	HHCD	
C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	862029145	SHUAHWNZVAELCE-QZTJIDSGSA-N	415.965	3.874	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(-c2ccccc2)no1	760314406	FRQYOKWZSNFORR-KRWDZBQOSA-N	403.486	3.716	10	20	HHCD	
Cc1cccc(N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	769754314	TWNCIFURZPBDEK-UHFFFAOYSA-N	402.497	3.840	10	20	HHCD	
O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(N2CCCC2)cc1	766634646	ZQNOGZZKFXAFGG-UHFFFAOYSA-N	408.498	3.727	10	20	HHCD	
COc1cc(O)c(CN2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)cc1OC	768463462	UJAMDMKNVNJSDV-IRXDYDNUSA-N	406.523	3.820	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)CNc3ccccc3)cc2F)C[C@@H](C)O1	762652945	AAWBLCLVUPMBAB-KURKYZTESA-N	414.525	3.739	10	20	HHCD	
CCc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C	764255628	DUSYERRDKROQKI-UHFFFAOYSA-N	418.335	3.641	10	20	HHCD	
OC[C@@H](CNCc1cccc(Br)c1O)Cc1cc(F)c(F)c(F)c1	767710159	DBLPSOGVVKUAEO-LLVKDONJSA-N	404.226	3.513	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1	1115951748	BRFZWKMKPQKHHW-QFIPXVFZSA-N	422.573	3.979	10	20	HHCD	
COc1ccc(N2CCN(CCC(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1F	766914569	UYVSCHGWCOSSIF-UHFFFAOYSA-N	421.900	3.647	10	20	HHCD	
COCCC1(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCCC1	760744065	PNXITUCUABUMGI-HDICACEKSA-N	421.557	3.835	10	20	HHCD	
C[C@@H](NC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1	773610000	BRFSAVGBDYBWCS-ACJLOTCBSA-N	411.424	3.745	10	20	HHCD	
CC(C)(C)OC(=O)Nc1cc2c(cc1NC(=O)/C=C\c1ccc(O)c(O)c1)OCO2	779530594	SVBIWHDYFIEUAD-ALCCZGGFSA-N	414.414	3.825	10	20	HHCD	
O=C(NCc1ccc2c(c1)COC2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	770042047	NMNQOLRZZSGTQE-GOSISDBHSA-N	417.456	3.786	10	20	HHCD	
COCCN(Cc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc(OC)c(OC)c1	770665508	FRGJLQCBQANXIF-UHFFFAOYSA-N	416.909	3.806	10	20	HHCD	
COc1cc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1OCc1ccncc1	779502665	WBCGFPKPZDDCJC-LWAXHKBTSA-N	420.465	3.971	10	20	HHCD	
CCCCS[C@H](C)c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	771065991	HONKBLYQUHOFQP-MRXNPFEDSA-N	418.563	3.564	10	20	HHCD	
COc1cc(Br)c(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC	774942722	SYOASOCIWNUUOZ-UHFFFAOYSA-N	413.224	3.701	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NC[C@@H](O)CN2CCc3ccccc3C2)c1O	779002940	KFOYXWWIFWNOTH-HNAYVOBHSA-N	419.363	3.533	10	20	HHCD	
CCN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@H]1CCN(Cc2ccccc2)C1	775727356	COVWMEGANZDCCX-RUZDIDTESA-N	406.618	3.782	10	20	HHCD	
CCN(CC)[C@@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1	775648339	SJHCGQWWOFFUQK-CYBMUJFWSA-N	406.162	3.833	10	20	HHCD	
CC(C)[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1	772118543	DBTBTEFBJRLNRE-GJYPPUQNSA-N	411.493	3.760	10	20	HHCD	
CCc1ccccc1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	785534736	TVWCAMCMWDSIHH-UHFFFAOYSA-N	406.448	3.963	10	20	HHCD	
Oc1cc2c(cc1CN(Cc1cccc(Br)c1)CC1CC1)[C@@H](O)CO2	788780394	QZEJZEZRJQQUPD-IBGZPJMESA-N	404.304	3.993	10	20	HHCD	
O=C(NC[C@H]1CCCc2ccccc21)C(=O)N(Cc1ccco1)Cc1ccccc1O	788484836	PGKNTWGLPWXATH-LJQANCHMSA-N	418.493	3.750	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1	784559901	JGYGILOSTCBTCC-INIZCTEOSA-N	410.470	3.640	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1	790410820	DCRYIFOLDHNZSD-UHFFFAOYSA-N	406.243	3.597	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](c3ncc[nH]3)C3CCCCC3)CC2)cc1	796675362	NJQHFQDKDSSGMX-QHCPKHFHSA-N	411.594	3.842	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)c(O)c1	794761662	JNCLBFYYQIICPO-UHFFFAOYSA-N	421.379	3.630	10	20	HHCD	
Cc1cc([C@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)o1	1323796627	MDYHIMCHMQSGFI-ULQDDVLXSA-N	417.525	3.616	10	20	HHCD	
C/C=C(/C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1831350783	PMPRTZGHGOUAIF-VGJFLQSWSA-N	420.937	3.951	10	20	HHCD	
CN(C)c1ccc(CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc1	15116844	QFUXMLQOWWOXJN-UHFFFAOYSA-N	423.826	3.978	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1	15539720	INLRSHVAKBCXDT-UHFFFAOYSA-N	423.538	3.826	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1	17370695	YYEMMOYVPLLRLV-UHFFFAOYSA-N	415.493	3.598	10	20	HHCD	
COc1ccc(N2CCN(c3ccnc4cc(Br)cnc34)CC2)cc1F	302231176	CMCIFYAKEWURBE-UHFFFAOYSA-N	417.282	3.867	10	20	HHCD	
CSc1ccc(O[C@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	303825011	KPEOSYOQZKYPGN-QGZVFWFLSA-N	400.544	3.671	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(S(C)(=O)=O)ccc3F)ccc21	482101804	GLSZWGNIVBOHPQ-UHFFFAOYSA-N	418.490	3.699	10	20	HHCD	
CN1C(=O)CN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c2ccccc21	673986275	IOOHFJFDRMEPAW-UHFFFAOYSA-N	423.476	3.617	10	20	HHCD	
COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(OC)c(F)c2)C(C)C)c1	725816068	GQCTUQMHYJXXFT-HNNXBMFYSA-N	404.482	3.944	10	20	HHCD	
O=C(COCCc1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726567131	LNCIZEJGSHXHNZ-UHFFFAOYSA-N	404.457	3.632	10	20	HHCD	
Cc1cc(F)c2c(c1)C(=O)C(=O)N2CN(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728904351	NDZKXAMJVRVVGD-UHFFFAOYSA-N	423.410	3.751	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1	734068666	FGDRNRTZESTQIX-GOSISDBHSA-N	421.538	3.674	10	20	HHCD	
CCN1CCN(CC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1	737055708	FRUORBJVAPCVDK-UHFFFAOYSA-N	404.352	3.677	10	20	HHCD	
CCOc1ccc(N(C)Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1	739922919	QXTJPODZEFKHLU-UHFFFAOYSA-N	400.479	3.642	10	20	HHCD	
C[C@H]1CN(c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cn2)C[C@H](C)O1	742475766	XXQSUKFXQBLVNK-OALUTQOASA-N	408.546	3.616	10	20	HHCD	
COC(=O)Nc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800888	VWKSIUJFCVSKNN-AWEZNQCLSA-N	419.428	3.865	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccco1	743340891	NKMRQPLBZJSJQW-NRFANRHFSA-N	414.550	3.593	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)NCc3ccc(N4CCCC4)cc3)n2)c1	743551992	KZPOGEJEQBWWIX-INIZCTEOSA-N	421.501	3.906	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C12CCCC2	743554622	JIIDEJMBVDQEKX-WOJBJXKFSA-N	403.592	3.777	10	20	HHCD	
CCc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743975813	VQWLHUFBNGXSKL-QGZVFWFLSA-N	417.456	3.574	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C(=O)N1c1ccccc1	745883023	RHMGRLZJILHWSV-HTAPYJJXSA-N	406.530	3.621	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCc1ccccc1O	748349725	KAQPVWDWGVZLQH-UHFFFAOYSA-N	414.458	3.571	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)c2C)c1	749523615	ONGRNTVKBUMOJW-UHFFFAOYSA-N	408.502	3.610	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)n2)s1	751127153	JBAXJZXZTIPNLP-UHFFFAOYSA-N	418.525	3.526	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2c(OC)ccc3nc(Cl)ccc23)c1	751316747	ARNBKFMNXIYRQC-NSHDSACASA-N	422.890	3.651	10	20	HHCD	
CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1	751932667	WUODVHHSQCKMHD-AWEZNQCLSA-N	423.494	3.703	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3nc(-c4ccccc4)cs3)nc12	754766681	PAOFKRQBRZTZNC-ZDUSSCGKSA-N	423.498	3.586	10	20	HHCD	
O=C(CN(Cc1ccccc1)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	756949561	JBMLUWKXMHJAQZ-UHFFFAOYSA-N	415.537	3.846	10	20	HHCD	
C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCN(c2ccccc2O)CC1	759720047	VQXTTZOUKBLBDP-AWEZNQCLSA-N	405.589	3.976	10	20	HHCD	
CC(=O)[C@@H]1C[C@H](CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1(C)C	759958755	PCTOVCRANKEDEY-NEWSRXKRSA-N	406.954	3.768	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(Br)s1	760609574	HOGUIBNDQJBJTH-UHFFFAOYSA-N	423.376	3.958	10	20	HHCD	
C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@H](c2ccc(Cl)c(F)c2)C1=O	761160752	ROUNFNAKHITFAY-BFUOFWGJSA-N	417.868	3.670	10	20	HHCD	
COc1cc(Cl)cc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1O	761192648	WLYPHPZUBLROQP-LBPRGKRZSA-N	410.301	3.953	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](C[C@@H]1CCOC1)c1ccccc1	761682229	HUJZTQKXHICGAB-KXBFYZLASA-N	414.889	3.978	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCN(c2ccc(Cl)cc2)C1	761968290	ARBYPRKCPIRRNC-KRWDZBQOSA-N	420.296	3.742	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C	761999708	JBKDLLPBPRAZKG-UHFFFAOYSA-N	412.467	3.723	10	20	HHCD	
C[C@H]1CCCCN1CCC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	763430151	AAOYKHMOLYHKCW-NRFANRHFSA-N	414.638	3.688	10	20	HHCD	
OC[C@@H](CNCc1cc(Cl)cc(F)c1O)Cc1cccc(Br)c1	763445326	RSKPWXSZFDVZHZ-GFCCVEGCSA-N	402.691	3.888	10	20	HHCD	
O=C(NCc1ccccc1CN1CCCC1)NCc1cccc(Br)c1O	764758656	SFZZJZOSUFIJPT-UHFFFAOYSA-N	418.335	3.750	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CNC(=O)Nc1cccc(C)c1	769289301	CXWICQJBMBBKHR-UHFFFAOYSA-N	420.307	3.633	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(Br)ccc3OC)c2)CC1	770154251	OEBRODVUWZLNRG-UHFFFAOYSA-N	418.335	3.852	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(CCOCc2ccccc2)CC1	770348735	FHRNHWUZXKCMAQ-UHFFFAOYSA-N	423.557	3.710	10	20	HHCD	
CCCNC(=O)CN(CCC)Cc1cc(Br)cc(Br)c1O	775657998	KKJWMQADCLCUQJ-UHFFFAOYSA-N	422.161	3.655	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(N(C)C)cc1	775836018	XIIYSOBTQWNCHP-QRVBRYPASA-N	410.562	3.656	10	20	HHCD	
Cc1cc(Br)cc(CNC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O	776254138	UNDJNHIPRGPVFC-INIZCTEOSA-N	403.320	3.601	10	20	HHCD	
CCCc1nc(C)c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1	777014880	YCFIPOWPFGIEOA-UHFFFAOYSA-N	402.564	3.934	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)Cc1cccc(F)c1	777825949	BPMVDOLATYTYLV-GOSISDBHSA-N	420.484	3.980	10	20	HHCD	
Cc1nc([C@@H]2COCCN2CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1	779633727	VTOYKHZBRNLKOE-IBGZPJMESA-N	406.446	3.805	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1	785298042	UVFICIUBFJXFMV-HNNXBMFYSA-N	406.438	3.576	10	20	HHCD	
O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)n1	787289355	SXCFZPPFQGSBOX-UHFFFAOYSA-N	414.466	3.527	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)cc1	789248000	MNKPXUQKMGKSPN-UHFFFAOYSA-N	407.522	3.954	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(OC(C)C)c1	789769424	FMSSHMGVHCPPAS-UHFFFAOYSA-N	412.530	3.621	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1	789834397	GXBDVBMIHSAQKI-WBVHZDCISA-N	400.475	3.798	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1-c1ccccc1	791611016	ILCXPVCKGQRPBL-MRXNPFEDSA-N	412.440	3.873	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cn3ccc(Br)cc3n2)C2CC2)cc1	795056117	SPHPAVMPKZQSEA-UHFFFAOYSA-N	413.319	3.968	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C2(S(C)(=O)=O)CC2)c(C)n1-c1ccc(C(C)C)cc1	795876287	OOQBFTSNXAPLHM-UHFFFAOYSA-N	417.527	3.521	10	20	HHCD	
Fc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c(OC2CCOCC2)c1	796469581	IJMFFMFNDQXZOL-UHFFFAOYSA-N	404.457	3.971	10	20	HHCD	
Cc1noc(C)c1C(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	797745056	VEBZRZNPTRFZEW-KRWDZBQOSA-N	405.926	3.709	10	20	HHCD	
COc1ccccc1CONC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	798399849	NCFYPRNNGWIGQY-UHFFFAOYSA-N	421.444	3.696	10	20	HHCD	
COc1cc(Br)c(/C=C2\SC(=S)N(C3CC3)C2=O)cc1OC	799205194	XJFHIEFIONNQNU-MLPAPPSSSA-N	400.319	3.830	10	20	HHCD	
CC(=O)N[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C1CCCC1	800048487	CPUMXIYFTQTVOV-QVKFZJNVSA-N	405.970	3.887	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CN3Cc4ccccc4C3=O)cc2Cl)C1	800343904	HQIVREUYCOQKIB-INIZCTEOSA-N	411.933	3.849	10	20	HHCD	
Cc1cc(C)nc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1	800636102	DZKOBHSYVYHDMX-CQSZACIVSA-N	414.937	3.843	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccnc3Cl)cc2Cl)C1	800636242	HQFBHOWDVRFYDS-CYBMUJFWSA-N	421.328	3.880	10	20	HHCD	
Cc1ncc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1	800636357	KDVGVDXTLQTLLJ-GFCCVEGCSA-N	406.939	3.596	10	20	HHCD	
CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1	800727944	UEXIHAJIPQNMOL-SFHVURJKSA-N	422.533	3.605	10	20	HHCD	
CCOC(=O)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1	800731516	IMIZEXYZLUJJSQ-UHFFFAOYSA-N	407.518	3.669	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(OC)CC1	802504637	MHADJFLLQHYQGM-UHFFFAOYSA-N	409.534	3.614	10	20	HHCD	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807287257	ICYNMWFIQATFGB-QGZVFWFLSA-N	403.482	3.645	10	20	HHCD	
CCCCCn1nc(C)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807512833	LEJABJFNYDHAGL-UHFFFAOYSA-N	413.305	3.649	10	20	HHCD	
CSc1cc(C)ccc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	807867249	PHRPHIGRYVMESD-UHFFFAOYSA-N	411.571	3.590	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)c1	811824201	MZLYCNGYSDRAAX-UHFFFAOYSA-N	420.487	3.774	10	20	HHCD	
C[C@@H](NCc1cccc(Br)c1O)c1ccc(N2CCCNC2=O)cc1	812801556	VNSYFBLVUQUXCR-CYBMUJFWSA-N	404.308	3.925	10	20	HHCD	
Cc1nsc(NC2CC2)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	815835598	YTINNMPCONQPBW-INIZCTEOSA-N	420.966	3.779	10	20	HHCD	
CC1CCN(C(=S)SCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	914484339	GOYUPPKUMZQZPD-UHFFFAOYSA-N	405.633	3.994	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)OCCO4)sc2C)cc1	916098013	YEPCZDRETWCYBP-UHFFFAOYSA-N	402.497	3.999	10	20	HHCD	
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	918118109	VXUGRKLAHYCHLL-HMXCVIKNSA-N	414.594	3.792	10	20	HHCD	
O=C(Nc1cccc2ccccc12)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918296701	ZEUHUAQWTFQDJH-IBGZPJMESA-N	404.466	3.692	10	20	HHCD	
O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1	918740464	SOKDOXQEDIDPHV-UHFFFAOYSA-N	406.872	3.935	10	20	HHCD	
CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1	920007108	AZDNIIINHQHRRM-UHFFFAOYSA-N	422.343	3.925	10	20	HHCD	
CCOc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)cc(Cl)c1O	920182260	LGXZZGJZSFVCOJ-UHFFFAOYSA-N	404.938	3.943	10	20	HHCD	
CN1CCN(c2ccc(CN3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)cc2F)CC1	1117589137	HKRSHSIQDKYFLM-CQOQZXRMSA-N	409.549	3.582	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc(N4CCCC4)cc3)CC2)cc1	1318419260	YALVDUPCKHGNOZ-UHFFFAOYSA-N	408.590	3.597	10	20	HHCD	
Cc1cc(Br)cc(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1O	1319823108	YJYIERGLSRBUEY-GOSISDBHSA-N	403.320	3.858	10	20	HHCD	
CC(C)Cn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nnc1-c1ccco1	19056254	RWAOKIXKOKBBLQ-UHFFFAOYSA-N	413.547	3.669	10	20	HHCD	
COc1cccc(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1O	727762529	ONMBKLMMXCWARQ-UHFFFAOYSA-N	401.850	3.743	10	20	HHCD	
O=C1/C(=C\c2cc(Cl)c3c(c2)OCCO3)SC(=S)N1CCc1cccnc1	727863628	HYPWQIUDYIUCAE-MHWRWJLKSA-N	418.927	3.950	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)n1-c1cccc(F)c1	728915264	OCYFNGXNSPJSJP-GOSISDBHSA-N	421.520	3.833	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)c1	728951687	LDLQYHPQEBDJFA-AWEZNQCLSA-N	400.475	3.510	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)cc1	729176394	PQMGJLBWSWKDBF-MRXNPFEDSA-N	406.523	3.541	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)cc3Cl)cc2)CC1	731132212	UNVDAWSOFCCTGR-UHFFFAOYSA-N	403.885	3.970	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCc2ccc(Br)cc21	732886319	VDSKWOFFLXYZAP-UHFFFAOYSA-N	416.319	3.558	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)c1	734073100	CZHZDBFFKWQCMJ-UHFFFAOYSA-N	412.486	3.505	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(CNCc3cc(C)ccc3O)c2)cc1	734510463	VTOKHGXKHRDKQY-UHFFFAOYSA-N	412.511	3.800	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1N1CCCCCC1	734703047	IFMXNDSLEXMNPS-UHFFFAOYSA-N	408.546	3.696	10	20	HHCD	
O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1C(C1CC1)C1CC1	734880469	NRTFMLKUPMZYKK-PXNMLYILSA-N	400.504	3.796	10	20	HHCD	
Cc1cccc(N2C[C@@H](C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)CC2=O)c1C	735519677	RUZNTNPCZPHACQ-SFTDATJTSA-N	422.525	3.570	10	20	HHCD	
O=S(=O)(c1ccc(CCNCc2c(O)cccc2Cl)s1)N1CCCCC1	742381423	SSGOZYMDLPVUNV-UHFFFAOYSA-N	414.980	3.614	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1	743706358	ZMNWPQZLTFUUCI-RYUDHWBXSA-N	400.410	3.711	10	20	HHCD	
CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	745692386	VGXIRVSAIVJVED-YADHBBJMSA-N	422.573	3.551	10	20	HHCD	
CO[C@]1(C)C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C	745800121	OOBWCSDCKCMXEK-DYESRHJHSA-N	411.493	3.760	10	20	HHCD	
COc1cccc(N2CC[C@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2)c1	745804654	GDBKDPROICXEOE-FQEVSTJZSA-N	410.562	3.960	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1	746144759	GKTKFGCKKUKVLB-FQEVSTJZSA-N	414.594	3.854	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3sc(N4CCCC4)nc3Cl)CC2)cc1	746878314	VREHNNHQUHNTSW-UHFFFAOYSA-N	420.966	3.758	10	20	HHCD	
CCCOc1c(Cl)cc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1OCC	747148260	SWLXXMUNUBPRRB-VBKFSLOCSA-N	410.923	3.830	10	20	HHCD	
CCc1cc(N2CCC(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)ncn1	748503202	MQRGNQGLHDCOLL-UHFFFAOYSA-N	421.520	3.984	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N(CC)CC)c(F)c1)c1nnc2n1CCCCC2	749570340	YJHIFIKNQJZOAM-GOSISDBHSA-N	416.545	3.940	10	20	HHCD	
C[C@@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)NC(=O)C1CCCCC1	751300244	UEXPJOJTJRXRCS-INIZCTEOSA-N	405.502	3.810	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc2nc(O)oc12	752015225	KHBXSMMLUPMTTM-GFCCVEGCSA-N	403.385	3.534	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)CC2)cc1F	753932742	UJLMXIJLNWRNGN-VXKWHMMOSA-N	413.493	3.586	10	20	HHCD	
CC(C)n1cc([C@H](C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1	754807644	XGWGWNXXORWCFG-HNNXBMFYSA-N	416.481	3.529	10	20	HHCD	
CCCC[C@H](CCC)NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759273980	RWERKEDQLCFTNK-KRWDZBQOSA-N	407.555	3.903	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C)c2NC(=O)c2ccncc2)c1	761974136	URYCYUOPEZKOLP-HNNXBMFYSA-N	405.454	3.848	10	20	HHCD	
Cc1cc(C(=O)COc2ccc(CO)nc2)c(C)n1-c1ccc(OC(F)F)cc1	762463563	VAONRORFSLUIPF-UHFFFAOYSA-N	402.397	3.845	10	20	HHCD	
CCN(CC)c1ccc(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1	768198799	PJTAXDCXOBLUAS-UHFFFAOYSA-N	408.590	3.906	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(Br)cc1Br	768469753	DKVMETJYWMFVSO-UHFFFAOYSA-N	415.081	3.595	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(c2ccccc2F)CC1	768915750	MQEDZTWAXYOJRK-QGZVFWFLSA-N	402.897	3.997	10	20	HHCD	
COc1ccc(CCC(=O)N2CCCN(Cc3cc(Cl)ccc3O)CC2)cc1	769207820	AJXFEVZOKNQPLH-UHFFFAOYSA-N	402.922	3.721	10	20	HHCD	
Cc1cc2ncc([C@H](C)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c(C)n2n1	772446943	UHBSYBHKCSZGRO-ZACQAIPSSA-N	411.525	3.950	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	772797630	HDZJDPVHYJHLGY-GFCCVEGCSA-N	422.279	3.912	10	20	HHCD	
Cc1cc(C[C@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)n(-c2ccccc2)n1	773046253	BLQSRDBHAZVESI-SFHVURJKSA-N	405.546	3.986	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(Br)cc1	774888707	ISXMMFWHPAJQJF-ZIAGYGMSSA-N	418.335	3.570	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC2(CCOCC2)C1	775735467	VXQONPIXKMCXAE-UHFFFAOYSA-N	405.130	3.920	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCc2c(Cl)cccc21	775931907	ZFTKHMFCKCAMHP-IBGZPJMESA-N	400.906	3.638	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(CNC(N)=O)cc1	777826089	GUKQNJUOBOWHPC-QGZVFWFLSA-N	403.482	3.964	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1NS(=O)(=O)c1ccccc1	779506072	NUSTZZNHIQHHHI-QBFSEMIESA-N	410.451	3.551	10	20	HHCD	
CCC[C@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1	779854296	STHJYIHHASGNCP-QAPCUYQASA-N	414.468	3.754	10	20	HHCD	
CCOC(=O)c1csc(=O)n1CC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C	780347271	LPWZWTFYZWSSMK-UHFFFAOYSA-N	416.474	3.824	10	20	HHCD	
Cc1nc2cc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc2s1	781498912	CKHMPYLVHXJILL-MRXNPFEDSA-N	423.542	3.628	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	782105122	RFJYYGRWWROSHK-UHFFFAOYSA-N	415.902	3.690	10	20	HHCD	
CC(C)c1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1[N+](=O)[O-]	784413483	MBXXFVKQKNJUEP-UHFFFAOYSA-N	411.502	3.857	10	20	HHCD	
CCCCN(Cc1ccccc1Cl)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785423889	DFLBRSBQIXBQOU-UHFFFAOYSA-N	401.938	3.851	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3cc4ccccc4o3)CC2)cc1	785569166	WICAYIQOOLYRGC-GOSISDBHSA-N	422.529	3.624	10	20	HHCD	
CC[C@@]1(C)CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1	785680221	AHIWSPSRPMYJME-QZEGLACASA-N	424.613	3.757	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c(-n2cc(Cl)cn2)n1	786776141	AOBZINXIRVLVLM-UHFFFAOYSA-N	422.920	3.605	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1	790351254	SAIAEPGPCNZULX-UHFFFAOYSA-N	414.449	3.846	10	20	HHCD	
Cc1cc(CN[C@H](C)c2cc(Br)cc(Br)c2O)n(C)n1	793563229	ZLYSOVTWWOKQMJ-SECBINFHSA-N	403.118	3.810	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@@H](CCNC(=O)OC(C)(C)C)C3)cc2)CC1	799739454	YMNCUDDWDPPBOV-FQEVSTJZSA-N	416.610	3.565	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCCOC1	802429295	PHWMYJWCQGOZOA-HXUWFJFHSA-N	423.561	3.862	10	20	HHCD	
COc1cccc(C2(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)CC2)c1	802781744	GCNBIPZLFVOCHM-IBGZPJMESA-N	414.933	3.867	10	20	HHCD	
CCCNc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	805026332	JSCIPAHZEPLPMQ-UHFFFAOYSA-N	422.573	3.677	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(N2CCCCC2)c1	807512345	UGNKBMVGZCPNAW-UHFFFAOYSA-N	422.312	3.944	10	20	HHCD	
COC[C@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1cccc(Cl)c1	808373108	QETAQYXGAPEBHD-IBGZPJMESA-N	421.900	3.707	10	20	HHCD	
CC(C)[C@@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)NC(N)=O	814773781	WCLXXVFHEMPJSA-SVSAJMPUSA-N	419.553	3.824	10	20	HHCD	
COC(=O)CCC[C@@H]1CCC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	815120825	VWGLHVWGTFPCNE-PKOBYXMFSA-N	406.542	3.779	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnn(-c2ccccc2)c1C1CC1	917709010	OQAKQWLSXXKNLO-UHFFFAOYSA-N	420.488	3.655	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC(C)(C)N3CCCCC3)cc2F)C[C@@H](C)O1	918184341	CJQMHRGOCTVFCN-HDICACEKSA-N	420.573	3.503	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NC2CC2)c(C)n1-c1cccc(Br)c1	919447923	JTRMLSWJXKNTFX-ZDUSSCGKSA-N	405.292	3.681	10	20	HHCD	
COC(=O)[C@H](CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C)Cc1ccncc1	1116025673	QTBHSWJYRSNMKF-FQEVSTJZSA-N	405.498	3.559	10	20	HHCD	
Cc1cc(Cl)cc(C)c1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	1319454727	SFKFYSDGCJFSIG-UHFFFAOYSA-N	405.901	3.661	10	20	HHCD	
Cc1c(C(=O)Nc2c(Cl)ccc3nonc23)nnn1-c1ccc(OC(C)C)cc1	1342951829	NLMONZMPWGKNFZ-UHFFFAOYSA-N	412.837	3.805	10	20	HHCD	
CC(C)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1817202204	ZTNISHRMZPQCIG-CYBMUJFWSA-N	424.860	3.528	10	20	HHCD	
Cc1sc2ncn(CC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c(=O)c2c1C	10962132	PHZWZQDGFGGBED-UHFFFAOYSA-N	424.570	3.724	10	20	HHCD	
CCOc1ccc(O)c(CNCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1	237077468	MBHKIFZGKMHJHJ-UHFFFAOYSA-N	423.479	3.851	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(-c2ccccn2)c1	807695449	QSNGQXXEVCFJMI-UHFFFAOYSA-N	417.509	3.899	10	20	HHCD	
Cc1ccc(C2(CNC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)CCC2)cc1C	807916956	FQMAYVNGUNBVBO-UHFFFAOYSA-N	407.558	3.566	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1	803167267	CWPGWILJCBTHBT-UHFFFAOYSA-N	409.313	3.797	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc(N(C)C)cc1	807678045	UMVCZXYQASCBBC-YLJYHZDGSA-N	418.541	3.817	10	20	HHCD	
C[C@@H](NC(=O)c1ccccc1Oc1cnn(C)c1)c1ccc(N2CCOCC2)cc1	800865541	NQZXUDOHCJTOOE-QGZVFWFLSA-N	406.486	3.540	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1F	807289346	QTLXMOHFKHJXRW-NRFANRHFSA-N	413.468	3.615	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)c1C	808051779	HVUOFEUNSXRJGX-UHFFFAOYSA-N	416.529	3.675	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(F)cc1OC(F)F	807512616	AFXNFLBHICZRHL-UHFFFAOYSA-N	423.174	3.694	10	20	HHCD	
COc1cccc([C@H](O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1	800572611	ZUPCQZVFGFGELS-VFNWGFHPSA-N	402.922	3.935	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@@H](n2cccn2)C1	812780461	FKPFUFGHTNAZHC-GFCCVEGCSA-N	401.102	3.561	10	20	HHCD	
CC[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1O	810213138	NABWOYNTSYZENK-KRWDZBQOSA-N	416.465	3.902	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c1	728982676	OLLXKDNRUIAHQL-CQSZACIVSA-N	410.495	3.883	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(F)cc3Cl)n2)c[nH]1	727247939	VUOIZOKVCXGENG-UHFFFAOYSA-N	415.855	3.518	10	20	HHCD	
CN(CCCc1cc(-c2ccc(F)cc2)no1)CC(=O)NCc1ccc(N(C)C)cc1	725813646	YGYWQQOFOYZYAA-UHFFFAOYSA-N	424.520	3.728	10	20	HHCD	
O=S(=O)(Cc1ccc(F)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726600591	GWNRDDQAQOTWFF-UHFFFAOYSA-N	414.449	3.516	10	20	HHCD	
CCN1CCN(C(=O)CC2CCN(Cc3cc(C)cc(C(C)(C)C)c3O)CC2)CC1	731209651	ROXYMFCKTPMGGC-UHFFFAOYSA-N	415.622	3.764	10	20	HHCD	
CCOc1cc(C(=O)NCc2ccc(N(CC)CC)c(F)c2)c([N+](=O)[O-])cc1OC	731346919	BNWKFLSPWJYLIL-UHFFFAOYSA-N	419.453	3.917	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4cc(F)ccc43)cc2F)CC1	730122268	LMABCPPRSGFALA-OAQYLSRUSA-N	414.500	3.593	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(C)c1NC(=O)c1ccncc1	734468347	VHFLCPPEEMRHJV-UHFFFAOYSA-N	402.498	3.947	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc2)CC1	731685345	ZHOZHWPUZDWHSQ-UHFFFAOYSA-N	412.490	3.709	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)C1	731036914	SEFMQYWHMLEYSC-QZTJIDSGSA-N	415.578	3.968	10	20	HHCD	
Cn1c(CCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc2c(F)cccc21	733334966	VVVFARRTLQVXLT-UHFFFAOYSA-N	411.481	3.943	10	20	HHCD	
CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	732456570	JLFHMWYJPTYMCS-NRFANRHFSA-N	418.557	3.604	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(C)ccc3OC)cc2F)CC1	730132883	HYIHDPVWJYIYKK-UHFFFAOYSA-N	400.498	3.606	10	20	HHCD	
COc1cc2nc(CN(Cc3ccc(N(C)C)cc3)C3CC3)nc(O)c2cc1OC	917417548	LNOXUIVNBULAKN-UHFFFAOYSA-N	408.502	3.583	10	20	HHCD	
CCOc1ncccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	916681154	UZUMGYROAQEALR-HUUCEWRRSA-N	402.470	3.555	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3ccc(Cl)cn3)cc2F)C[C@H](C)O1	917215247	KUDNBRPVBZLISQ-KBPBESRZSA-N	423.941	3.896	10	20	HHCD	
CN(C)[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCCC1	916449034	RQWGDKNBRLKVAM-NRFANRHFSA-N	404.624	3.550	10	20	HHCD	
Cc1ccc2c(CCC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c[nH]c2c1	744514505	QCNZVERGCHOHIF-UHFFFAOYSA-N	405.542	3.934	10	20	HHCD	
O=C1OC(c2ccc(C(F)(F)F)cc2)=N/C1=C\c1ccc(N2CCOCC2)cc1	912757458	HXESGOAQCBOUED-AQTBWJFISA-N	402.372	3.887	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N[C@H](C)c3cc(OC)ccc3O)ccc2NC1=O	745933964	WOOACQCTFJPALL-VPZZIHKRSA-N	413.474	3.632	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743053488	QQJGZQKSYBZLMD-CQSZACIVSA-N	405.401	3.807	10	20	HHCD	
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2ccc(N3CCCCC3)cc2)cc1	742588446	CATMSCCSHGJAGH-QHCPKHFHSA-N	405.542	3.793	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1	758531311	DPTAYLNGZSIOCX-OAHLLOKOSA-N	406.533	3.565	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O	752785483	GNAYJXNXFNJNGO-UHFFFAOYSA-N	423.517	3.917	10	20	HHCD	
Cc1nnc2n1C[C@@H](C(=O)OCC(=O)Nc1ccc(N=Nc3ccccc3)cc1)CC2	750678706	QIHHYIBUHIOESE-INIZCTEOSA-N	418.457	3.746	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NC[C@H](C)c1ccccc1	751930895	JLKKILFYNPEZDM-HOTGVXAUSA-N	423.538	3.781	10	20	HHCD	
Cc1cc(C(=O)NCCc2cncn2C)c(C)n1-c1cccc(Br)c1	753678205	IJAOBRGZZJYVIJ-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)c1cccc(I)c1O	755081581	MTCFDBJSVGKNKX-UHFFFAOYSA-N	408.239	3.849	10	20	HHCD	
C[C@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)cc1	920868679	JOZAIZCNJNIIMA-HNNXBMFYSA-N	423.435	3.982	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1cccc(F)c1)c1cc(Br)c(F)cc1O	756455326	COXFMPDTZPZHRQ-PWSUYJOCSA-N	402.235	3.523	10	20	HHCD	
C[C@@H](NC(=O)N(CCc1ccccc1)[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1	752915012	LLESFAPIGSPSQR-YKSBVNFPSA-N	423.557	3.627	10	20	HHCD	
O=C(CCc1nc(-c2ccco2)no1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754550784	GLOLETCNZCQUIR-UHFFFAOYSA-N	413.389	3.676	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1csc([C@@H]2CCCO2)n1	756791357	AWPAEMCCYUOBEW-YJBOKZPZSA-N	421.950	3.748	10	20	HHCD	
CCc1ccc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1C	760005541	QSNSVICUGALPIG-UHFFFAOYSA-N	413.518	3.937	10	20	HHCD	
CN(C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1)C(=O)OC(C)(C)C	768914909	JVZDCGSRYHJDAO-LJQANCHMSA-N	421.557	3.741	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)c2)CC1	767382102	MEQRSRFNVVXAII-INIZCTEOSA-N	424.570	3.902	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccccc3NCc3ccco3)c2)CC1	764326614	NLIQKSROPPQZHF-UHFFFAOYSA-N	418.497	3.846	10	20	HHCD	
CCc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]c(C)c1C(C)=O	768914468	CYIPBBITAWUEAF-QGZVFWFLSA-N	417.937	3.842	10	20	HHCD	
Cc1nccn1-c1ccc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	765257681	ZPKBYWOCGUKWAY-AVRDEDQJSA-N	417.557	3.733	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)cc1F	769975176	SAWMPEHMDMKMLZ-UHFFFAOYSA-N	401.438	3.630	10	20	HHCD	
Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)NCCCSc1nccs1	760914739	KXXUIJJCAZPZNZ-UHFFFAOYSA-N	412.540	3.751	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	762344102	FNBPXBAPNPWASQ-IEBWSBKVSA-N	418.852	3.869	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ncnc4c3cnn4C(C)(C)C)cc2F)C[C@@H](C)O1	766403710	VPJCFJINPXYVRA-GASCZTMLSA-N	412.513	3.946	10	20	HHCD	
COCc1ccc([C@H]2CCCN2C(=O)NC2CCN(c3ccc(OC)cc3)CC2)o1	768325431	HCGVYRYPUGZZEJ-OAQYLSRUSA-N	413.518	3.950	10	20	HHCD	
Cc1cccc2c1N(C(=O)c1cc(NS(=O)(=O)c3cccs3)ccc1O)CC2	769948020	OOINFPQYFJZXSM-UHFFFAOYSA-N	414.508	3.766	10	20	HHCD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2cccc(Br)c2O)cc1	765728279	FXDPVMRJNGEPHM-AWEZNQCLSA-N	420.303	3.760	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(C(=O)O)nc2)cc1	879907388	WMBFBFOYQQUOSW-UHFFFAOYSA-N	405.454	3.701	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)c1	761967274	JZMDLUHQFZXYFO-UZLBHIALSA-N	412.486	3.769	10	20	HHCD	
O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N(Cc1ccco1)Cc1ccccc1O	778326836	SOOFKBBSORRACQ-UHFFFAOYSA-N	410.411	3.741	10	20	HHCD	
CN1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1	779540324	QUECZJDLSYJAMD-HCUSCBHBSA-N	404.869	3.713	10	20	HHCD	
Cc1nc(NC2CC2)sc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	770990619	IBJXGINCZGEBHK-STQMWFEESA-N	418.538	3.709	10	20	HHCD	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1C	771134266	QFJUAHDBJKQUKA-UHFFFAOYSA-N	411.530	3.794	10	20	HHCD	
Cc1noc(Cl)c1CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771058785	NYUFNCDVKIZRAT-HNNXBMFYSA-N	412.317	3.709	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCN(c3cccc4cnccc34)C[C@@H]2C)c1O	775201268	DDMVQHHXKROXRC-HNNXBMFYSA-N	408.458	3.568	10	20	HHCD	
Cc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OCC(F)F	771978440	RLRRIGYOMDBYFK-UHFFFAOYSA-N	410.804	3.967	10	20	HHCD	
COc1cc(N[C@@H]2CCCN(Cc3ccc(N4CCN(C)CC4)cc3)C2)cc(OC)c1	775724254	MSCCYAXPAJZGCB-OAQYLSRUSA-N	424.589	3.532	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773609552	AOJKMWARINQBKM-XYJFISCASA-N	404.555	3.758	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3ccc(Cl)cc3Cl)nc12	773906370	NZIYNRPPNLRPCL-JTQLQIEISA-N	409.273	3.769	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2cccc(C(F)(F)F)c2)CCOCC1	772796867	HHXXDLDMCGXQHK-ALCCZGGFSA-N	407.388	3.952	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	773740621	RWKGHEOEALXXQE-BXUZGUMPSA-N	423.296	3.505	10	20	HHCD	
O=C(COC(=O)CN1CCCCCC1=O)Nc1ccc(N=Nc2ccccc2)cc1	782182726	NWXWPUJQSRBFMT-UHFFFAOYSA-N	408.458	3.986	10	20	HHCD	
CN(CC(=O)NC[C@H](c1ccccc1)N(C)C)Cc1ccc(N2CCCCC2)cc1	781914423	XKZNMBZVHXDZPM-XMMPIXPASA-N	408.590	3.528	10	20	HHCD	
CCN(CC)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1	782897153	UZDMUIMEJZKLGK-UHFFFAOYSA-N	424.545	3.933	10	20	HHCD	
Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)sc1Cl	788886643	UBICCEHERIVGSB-ZDUSSCGKSA-N	400.953	3.586	10	20	HHCD	
CSc1ccc(Cl)c(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c1	786263011	RTANLMJULVROAM-UHFFFAOYSA-N	417.962	3.660	10	20	HHCD	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788913234	VZVYOAWNSYNLDQ-KRWDZBQOSA-N	405.498	3.869	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2c(O)ccc3c2CCCC3)C1	780935218	GLQOYXLABUZLMG-WZONZLPQSA-N	400.519	3.534	10	20	HHCD	
O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1c(F)ccc(O)c1O	789979664	TZZLGORYFFZPHR-UHFFFAOYSA-N	415.442	3.604	10	20	HHCD	
CCOc1nc(C)ccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	790564682	IWDXNVPCSOWNAB-UHFFFAOYSA-N	405.445	3.789	10	20	HHCD	
C[C@@H](NC(=O)c1cn2cc(Cl)cc(Cl)c2n1)c1ccc(N2CCOCC2)cc1	799320468	BAEOHECONYFINL-CYBMUJFWSA-N	419.312	3.969	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c(C(F)(F)F)c1	792870532	HURKPNPOFLUMPD-HNNXBMFYSA-N	405.420	3.589	10	20	HHCD	
CC(=O)NCC1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	799992876	QTTXBAIAASCKHC-MRXNPFEDSA-N	420.985	3.634	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(Cl)ccc2I)c(O)c1	794379328	PKJIDLREKOIFTQ-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
CN1CCC(Oc2ccc(CNC(=O)NCc3ccc(N4CCCC4)cc3)cc2)CC1	790670913	FDCRHDQCGCPUCF-UHFFFAOYSA-N	422.573	3.759	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(Br)c(C=O)n1C	1318697211	OPCFLFSBSDIDJA-UHFFFAOYSA-N	418.335	3.863	10	20	HHCD	
CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OC	13343143	XJDMAKGYXMSBMP-VBKFSLOCSA-N	409.529	3.940	10	20	HHCD	
FC(F)(F)c1ccnc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	301076402	INLHYVJCCLGFCH-UHFFFAOYSA-N	406.330	3.963	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(c3ccccc3OC)CC2)cc1F	303362912	QJCVRKFCEIBRNR-UHFFFAOYSA-N	414.525	3.712	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1	303954879	JUXHMKSLYJTTGQ-QFIPXVFZSA-N	420.557	3.583	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc(Br)c(Cl)c(C(=O)O)c2)ccc1O	322496385	COBYGNRBXYNULM-UHFFFAOYSA-N	420.668	3.616	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(OC3CCC3)c(F)c2)n(C)c2ccccc12	472783233	DHAOLHSLSLWYAN-UHFFFAOYSA-N	409.461	3.812	10	20	HHCD	
C[C@H]1CN(c2ccccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)C[C@H](C)O1	542014896	LJSWJSHIDISBCH-IRXDYDNUSA-N	410.518	3.797	10	20	HHCD	
Cc1cc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1	725726758	IYIPIUVERYHHIL-UHFFFAOYSA-N	412.534	3.866	10	20	HHCD	
CNC(=O)c1cc(OC)ccc1NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	726548505	XJYXFNJYGMCPCR-UHFFFAOYSA-N	407.470	3.723	10	20	HHCD	
CCCN(CCC)C(=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	728518496	VAHQPNJVBFJCJT-UHFFFAOYSA-N	423.557	3.715	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)c1	728977802	DIZPITQDYGILPN-CQSZACIVSA-N	402.454	3.934	10	20	HHCD	
COCCOc1ccccc1CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731049712	LPLYKGIBEGJMQM-UHFFFAOYSA-N	411.546	3.948	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccccc1O)C[C@@H]1CCCO1	731845395	ZROBNWIZSHLNPV-IBGZPJMESA-N	413.474	3.619	10	20	HHCD	
O=C(CCc1nc(-c2cccs2)no1)N(Cc1ccccc1O)C[C@H]1CCCO1	731855862	DOYQDWODHCGJEL-MRXNPFEDSA-N	413.499	3.644	10	20	HHCD	
CC(C)C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	740780609	GVJMVNWXNKRJGS-FYYLOGMGSA-N	407.558	3.834	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)cc1	742334016	CKMJFEPQMJSPBT-CQSZACIVSA-N	416.877	3.889	10	20	HHCD	
CCO[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2	745798748	ASFOFIKSRHRJKN-OALUTQOASA-N	423.504	3.904	10	20	HHCD	
COCCn1c(C)cc(/C=C2/NC(=S)N(Cc3ccccc3Cl)C2=O)c1C	747990306	HWPBBZNDVQVSDC-WOJGMQOQSA-N	403.935	3.663	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)C(F)(F)F)c(C)n1-c1cccc(Br)c1	748000068	RYROUFUUFWWXSU-CQSZACIVSA-N	405.214	3.510	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)CC2)cc1	748530530	QHTOKWRKKYKWDN-UHFFFAOYSA-N	417.513	3.757	10	20	HHCD	
CC(C)(C)C(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1	749169417	UNCJNCJTGPYDMR-UHFFFAOYSA-N	400.544	3.994	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCN1C1CCCC1	749255486	CKOOHBMIEWAAEZ-UZLBHIALSA-N	407.505	3.780	10	20	HHCD	
CC(C)[C@@H](CCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1)NC(=O)OC(C)(C)C	749557139	CUTIIRLDDIULPZ-GOSISDBHSA-N	424.561	3.973	10	20	HHCD	
CCn1nc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C1CC1	750629030	JZBRLYBCRFKIKP-GASCZTMLSA-N	415.513	3.855	10	20	HHCD	
C[C@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cc1F	751978647	APWQXNPSMYDPRU-MRXNPFEDSA-N	402.485	3.984	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cc(C)ccc2Oc2ccccc2)c1O	754191127	KAKZJSHGMAGDOJ-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(Cl)c2Br)cc1	755070476	ICDIRCUKSULGPK-UHFFFAOYSA-N	417.756	3.989	10	20	HHCD	
CC(=O)N1CCC(N[C@@H](C)c2cc(Br)cc(Br)c2O)CC1	756363999	RDPHAJHGIQVZEM-VIFPVBQESA-N	420.145	3.579	10	20	HHCD	
C[C@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1cc2c(cc1O)CCCC2	756643176	SVGKCGIKNCEQHO-KRWDZBQOSA-N	401.595	3.548	10	20	HHCD	
C[C@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)ccc1O	756783607	GFEXPEROMARUFY-HOCLYGCPSA-N	403.320	3.854	10	20	HHCD	
CCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1CC	756964752	HZLMXNBRUFSSLF-QGZVFWFLSA-N	402.560	3.688	10	20	HHCD	
CC[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759239983	STMGDMFAABWKBS-IBGZPJMESA-N	412.530	3.630	10	20	HHCD	
CCOc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(Cl)c1O	762620071	YZSDZXVDJFNFIE-INIZCTEOSA-N	405.878	3.971	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(CC(F)(F)F)[C@@H](C)C2)c(C)n1-c1cccc(F)c1	762927966	NHWSFIFSBJVIHZ-HNNXBMFYSA-N	411.443	3.984	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@H](CO)Cc2ccc(Br)cc2)c1O	763426345	UCVBRTMANJPCEJ-CYBMUJFWSA-N	414.727	3.758	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)ccc3Br)CC2)cc1F	763456989	PSQFUPGGPQPWMX-UHFFFAOYSA-N	407.283	3.868	10	20	HHCD	
C[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(N2CCCCCC2)cc1	764660741	ZCQXPGFDWKUWJW-LJQANCHMSA-N	412.578	3.972	10	20	HHCD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	764998106	CLXTZVVMBSEGHK-LJQANCHMSA-N	411.502	3.911	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C34C[C@H]5C[C@@H](CC(F)(C5)C3)C4)cc2F)CC1	765439306	WYOUPBYZMXWXDO-UOYQGRGCSA-N	417.544	3.892	10	20	HHCD	
O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1cccc(Br)c1O	766201782	VBHSZAMGDOHBLA-UHFFFAOYSA-N	424.238	3.793	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC1=S	767895558	HANCLERCPWKMME-SXGWCWSVSA-N	403.456	3.691	10	20	HHCD	
CN(CC1CCOCC1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	767926709	KAXABBRWGBWQNT-VBKFSLOCSA-N	424.613	3.615	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1	768419473	XKOWPFXXQIELPD-UHFFFAOYSA-N	415.950	3.610	10	20	HHCD	
COc1ccccc1C(=O)NCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	771448979	XJHMVKLHXIYLCL-GOSISDBHSA-N	418.493	3.921	10	20	HHCD	
CN1CCN(c2ccc(CN(C)CCCc3cc(-c4ccccc4)n[nH]3)cc2)CC1	775658295	JCNHKKYPEMLKNH-UHFFFAOYSA-N	403.574	3.893	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)COC1CCN(C(=O)OC(C)(C)C)CC1	777136771	YTLQDBMNDMYVKG-UHFFFAOYSA-N	406.523	3.547	10	20	HHCD	
CCOc1cc(Cl)ccc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	778891455	OKNLGCPDMPAEHR-UHFFFAOYSA-N	404.894	3.620	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	782189614	UKAHEDLVZDDEGG-ZGQHFSNZSA-N	403.525	3.628	10	20	HHCD	
CC(C)(C)c1ncc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1	782895432	BKPIIYUQQTYKCU-UHFFFAOYSA-N	410.518	3.780	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc(OC)c1	782897614	ZCJLFWMNRKMASY-UHFFFAOYSA-N	412.486	3.709	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)cc(Br)c1	784025708	IOTNGHMVVUWGLF-UHFFFAOYSA-N	405.292	3.840	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)cc1	785425178	XIJCOZSQLRWFGA-UTKZUKDTSA-N	405.542	3.785	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccccc2OC(F)F)cc1	787387207	NKVSUKQJLRKIEZ-OAHLLOKOSA-N	419.472	3.628	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@@H](c2ccccc2)CC1	788930254	PYDUEQUNPIIHIU-JOCHJYFZSA-N	405.542	3.699	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(OC)c(OC)cc1Cl	790334966	AJDVAMMJPBNHKM-UHFFFAOYSA-N	412.939	3.634	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC(C2CCCC2)C1	794194913	KXXZRQBNALSYKF-UHFFFAOYSA-N	406.529	3.517	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1F	796427883	CSBZBRKPOWMZSP-UHFFFAOYSA-N	406.508	3.761	10	20	HHCD	
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@]2(CCOC2)O1	797385118	OFKHYSHEPGTMRW-REWPJTCUSA-N	422.485	3.837	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1cccc(OC(F)F)c1	797735858	DFZREBMVDVSSHK-UHFFFAOYSA-N	400.765	3.766	10	20	HHCD	
COCCO[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	801062361	WSCVTQHUCATGDT-HKUYNNGSSA-N	423.985	3.913	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	803089680	FZGLYMFDZWCPSL-GFCCVEGCSA-N	405.376	3.663	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccccc1Oc1ccccc1	803645639	AJTMCZYRBCFPQZ-UHFFFAOYSA-N	417.509	3.786	10	20	HHCD	
COC(=O)c1cnc(N(Cc2ccccc2O)C[C@H]2CCCO2)cc1C(F)(F)F	804579213	VOKIWRBVLANVGP-CQSZACIVSA-N	410.392	3.778	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1nc(C(C)(C)C)cs1	804863295	FDGSMOFBRYJIMQ-UHFFFAOYSA-N	416.591	3.560	10	20	HHCD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	807701745	KXOJLPRLBZFOHH-LEWJYISDSA-N	417.619	3.816	10	20	HHCD	
CC(C)[C@H](NCc1cc(Br)cc(Br)c1O)c1nncn1C	809691889	NRLIOFQHENPDCA-LBPRGKRZSA-N	418.133	3.533	10	20	HHCD	
CON(C)C(=O)C1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	812711731	UVZFZUATHRGWAJ-UHFFFAOYSA-N	403.910	3.620	10	20	HHCD	
Cc1cc(C(F)(F)F)nn1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	812976069	VKKFYAVAXNHFMU-UHFFFAOYSA-N	422.373	3.867	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(N2CCCOC2=O)cc1	814448048	KSZACPMAPCBROC-KRWDZBQOSA-N	422.529	3.976	10	20	HHCD	
Oc1c(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)ccc2ccccc12	816498948	XYEOZDLHYVDUFW-NRFANRHFSA-N	416.569	3.975	10	20	HHCD	
Cc1ccccc1NCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857471787	AIYWIRYZTCBYRC-LJQANCHMSA-N	401.938	3.937	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CN3CCCCC3=O)c2C)c1	915459190	IDWVFEPOSNLAGO-UHFFFAOYSA-N	414.527	3.554	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1	916197334	QNDPRVSNNLLAKJ-DEOSSOPVSA-N	422.573	3.658	10	20	HHCD	
CC(C)COc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	918039308	FSENEZPEDLIPPY-LJQANCHMSA-N	424.545	3.745	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C	918311437	SBRGXZURXKXRSE-UHFFFAOYSA-N	422.529	3.541	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c2cccnc12	918456340	IODLNKLXHHGVIB-UHFFFAOYSA-N	402.498	3.739	10	20	HHCD	
CN(Cc1ccc(Br)s1)C(=O)NCc1ccc(N2CCOCC2)cc1	919791829	ADCCJWSCBQKRDG-UHFFFAOYSA-N	424.364	3.689	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	920260330	ZLVSRRJMSCMAGX-UHFFFAOYSA-N	407.467	3.545	10	20	HHCD	
C[C@H](NC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc(N2CCOCC2)cc1	920870458	GCNLRQLSPGQPMR-FQEVSTJZSA-N	423.557	3.632	10	20	HHCD	
C[C@@H](NC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc(N2CCOCC2)cc1	920870459	GCNLRQLSPGQPMR-HXUWFJFHSA-N	423.557	3.632	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(C)c3ccccc32)c(C)n1-c1ccccc1	1328226795	SRTOIBMPLMUNMH-NRFANRHFSA-N	416.477	3.970	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	10192136	GCJGNNMDNQPPKA-UHFFFAOYSA-N	423.444	3.987	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccco4)C3=O)c2C)cc1	16401147	XADNJQDTIYLJIZ-QHCPKHFHSA-N	405.454	3.645	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccc(C(F)(F)F)cc1	26520767	COBXMJCWYWZENO-UHFFFAOYSA-N	421.463	3.926	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccccc3SC(F)F)ccc21	60749430	BIFFWRJMGVAFIF-UHFFFAOYSA-N	405.470	3.639	10	20	HHCD	
COc1ccc([C@H]2CCCN2C(=O)CN(C)c2ccc(OC)c(OC)c2)c(OC)c1	63617406	GSUHHIGGSRIWAB-LJQANCHMSA-N	414.502	3.521	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3ccc(OC(C)C)c(C)c3)CC2)cc1	110461464	UMNGOTMZERIMBQ-UHFFFAOYSA-N	418.559	3.738	10	20	HHCD	
COC(=O)c1cnc(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)c([N+](=O)[O-])c1	302748151	GJYJSFIWBCGQER-UHFFFAOYSA-N	408.414	3.560	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H](c3ccn[nH]3)C2)c(C)n1-c1ccc2c(c1)OCCO2	303218779	REKKFNYKBSKVPN-SFHVURJKSA-N	420.513	3.651	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCOCC(F)(F)C(F)F)ccc21	434042678	PPOHBBPEVXMZJN-UHFFFAOYSA-N	404.404	3.551	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)n(C)c2ccccc12	472220769	JTPPAGNBKYFRBB-KRWDZBQOSA-N	416.319	3.782	10	20	HHCD	
CCCCn1ncc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1C(C)C	472790008	LDDFMASDOJWZMG-UHFFFAOYSA-N	409.534	3.862	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cn(CC(C)C)nc2C(F)F)n(C)c2ccccc12	472810466	VHULANNSZXWDGK-UHFFFAOYSA-N	417.460	3.532	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(CSCCO)ccn3)ccc21	491797482	RJELOUTXPHROMY-UHFFFAOYSA-N	413.543	3.777	10	20	HHCD	
Cc1cc(C)n2nc(NC(=O)NCc3ccc(N(C)C4CCCCC4)cc3)nc2n1	725854958	QMYVTAZLZUFKBQ-UHFFFAOYSA-N	407.522	3.832	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCCC1	725868922	FYPVLTRJEZAVGX-TZIWHRDSSA-N	400.567	3.546	10	20	HHCD	
CCN(CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	726566144	QVSREZMRKBPBTR-UHFFFAOYSA-N	403.473	3.900	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCN(C)C(=O)OC(C)(C)C)c2C)cc1	726802863	SKAWVVHRIYGURB-UHFFFAOYSA-N	401.507	3.699	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)n1	727251194	OKSXCLQSPPQZDM-UHFFFAOYSA-N	412.496	3.805	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(-c2ccncc2)no1	728132542	RJVGRVWAJILQKU-FQEVSTJZSA-N	420.517	3.711	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2nnc(O)c3ccccc23)cc1	728839824	QYLNWDCSDUTNHU-UHFFFAOYSA-N	418.419	3.535	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1	728941242	TWAUTDLTTAIXQL-GFCCVEGCSA-N	406.866	3.776	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCOc2cccc(C=O)c2)cc1	731622013	PPVZVYOCXVPAHT-HSZRJFAPSA-N	410.514	3.542	10	20	HHCD	
O=C(CCc1nc(-c2ccsc2)no1)N(Cc1ccccc1O)C[C@@H]1CCCO1	731856846	UAXKSFSOINCFOX-KRWDZBQOSA-N	413.499	3.644	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)c1	732075670	FBGKIUTUWPVSEN-QGZVFWFLSA-N	409.559	3.840	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](N4CCCCC4=O)C3)c2C)cc1	732775227	JOXUHGIRESFGGM-HXUWFJFHSA-N	409.530	3.720	10	20	HHCD	
CCOC(=O)c1cnc2nc(C)ccc2c1N1CCCN(c2ccc(OC)cc2)CC1	736285059	CWPLUKAOLFDAHI-UHFFFAOYSA-N	420.513	3.840	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCN(CC3CCOCC3)CC2)c1C	736318810	NHXHXXFODXGFQY-UHFFFAOYSA-N	409.574	3.629	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccnc(N3CCCCC3)n2)cc1	739507732	NPOPWQMMRFCWSL-UHFFFAOYSA-N	419.529	3.969	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(CN(C)C(=O)C(C)C)cc3)CC2)cc1	741543259	HCZRXLIHESTLOI-UHFFFAOYSA-N	423.557	3.662	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cn(Cc3cccs3)nn2)cc1	742528203	KRKCNAZZJRTIKO-UHFFFAOYSA-N	421.526	3.890	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1	744844709	UYQZVZRPVDGYMJ-UHFFFAOYSA-N	400.542	3.945	10	20	HHCD	
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(N(C)C)c(F)c1	746798403	GAUOMPLMZSWGAJ-UHFFFAOYSA-N	419.504	3.953	10	20	HHCD	
CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)c3cc(O)cs3)cc2)n[nH]1	748320284	KMAZUPUTFNNMNC-UHFFFAOYSA-N	415.475	3.516	10	20	HHCD	
CCCCCC(=O)NC1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)CC1	748334116	PHGDNRMCZADEAM-UHFFFAOYSA-N	402.583	3.903	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c(C)n1-c1cccc(Br)c1	749181136	KNDHPQNPIFKHFH-SJLPKXTDSA-N	418.335	3.631	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)ccc21	749947495	GDXHNGMMAVUCHS-HNNXBMFYSA-N	417.550	3.795	10	20	HHCD	
O=C(Nc1ccc2[nH]ccc2c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751060472	WSFVNQTTYIYYES-UHFFFAOYSA-N	413.480	3.988	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2ccccc2c1	751237655	SOSZCVJXMJTMQD-UHFFFAOYSA-N	410.539	3.527	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)c1c(F)cccc1Cl	752994433	CCUKOTUPOUORFO-XOBRGWDASA-N	403.885	3.777	10	20	HHCD	
CC(C)N1CCN(C2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)CC1	753543476	AQQOSKGALFDDTH-UHFFFAOYSA-N	423.601	3.962	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(Br)ccc1O	756544833	WDQMYYMLFVSNPP-JQWIXIFHSA-N	402.235	3.523	10	20	HHCD	
COc1cc(N2CCN(C(=O)CCCc3ccc(C)s3)CC2)cc(OC)c1OC	759222255	JKVUKLCSXYLGAR-UHFFFAOYSA-N	418.559	3.754	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@H](O)c1cccc(C(F)(F)F)c1	759602795	ZOZVCBCUYNCGOD-CYBMUJFWSA-N	405.467	3.677	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCC[C@H]2OCC[C@H]12	760910331	WCJWPPZGAGIFTN-GUDVDZBRSA-N	409.477	3.514	10	20	HHCD	
Cc1cc(C(=O)NCCNC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1	761960333	CZPYDMDZWXZCQL-UHFFFAOYSA-N	411.889	3.613	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc2nc(C)sc2c1	762232131	XHSPYKGTWGAZEZ-UHFFFAOYSA-N	404.875	3.779	10	20	HHCD	
COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(OC)c1OC	764635830	RAURAOQFLQGNFB-OAHLLOKOSA-N	404.482	3.539	10	20	HHCD	
C[C@H](CSC(C)(C)C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765282137	STNNTQLEPJPPDS-QGZVFWFLSA-N	417.598	3.952	10	20	HHCD	
C[C@@](O)(C(=O)NCc1cccc(Br)c1O)c1cccc(C(F)(F)F)c1	765751877	STVQNPMPHVMVDI-INIZCTEOSA-N	418.209	3.697	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NC3CCN(Cc4ccccn4)CC3)C2)cc1	766236606	FZAYMVAICVOMLN-HXUWFJFHSA-N	416.516	3.906	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1c(Br)cccc1[N+](=O)[O-]	768208475	QVWKMEZHHCRTJA-UHFFFAOYSA-N	420.307	3.826	10	20	HHCD	
CCC1(O)CCC(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	772082965	QHWSDBIPIWYUIZ-UHFFFAOYSA-N	411.493	3.640	10	20	HHCD	
Cc1sc(=O)n(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1-c1ccc(F)cc1	773005918	DMPKHFUHYLKHIS-CQSZACIVSA-N	413.518	3.968	10	20	HHCD	
Cc1nc(SCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2c(C)c(C)sc2n1	773741583	TUXYLCXOVRQVMA-SNVBAGLBSA-N	417.556	3.867	10	20	HHCD	
Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1	773762077	FDCNRKZSHFPFJB-CYBMUJFWSA-N	403.500	3.527	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Br)cc2cccnc12	773766695	FDUAQYODBCIBHQ-NSHDSACASA-N	401.260	3.770	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	774392689	MKRMNFOSXSQFJT-UHFFFAOYSA-N	423.473	3.776	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC[C@H]1c1cccs1	775253759	DPTGHRSZAWRVOM-WFXMLNOXSA-N	413.587	3.988	10	20	HHCD	
C[C@H](NC(=O)Nc1cnn(-c2cnc3ccccc3n2)c1)c1ccc(N(C)C)cc1	775688464	PJIQXJYKZSJXKH-HNNXBMFYSA-N	401.474	3.764	10	20	HHCD	
COc1cc(CNCc2ccc(N(C)C)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F	779062535	WYSPRPKQBLOACP-UHFFFAOYSA-N	413.396	3.742	10	20	HHCD	
COC(=O)[C@@H](NCc1cccc(Br)c1O)c1ccc(OC)c(Cl)c1	779182862	WUZAERFZSCOVBG-HNNXBMFYSA-N	414.683	3.821	10	20	HHCD	
COc1cc(CN(C(=O)/C=C/c2ccc(O)c(O)c2)C2CC2)ccc1OC(F)F	779488069	BXUUXLHMPGVRMC-RUDMXATFSA-N	405.397	3.912	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779511316	USEXVHXICFCXHY-CIAVUECRSA-N	416.518	3.892	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(OC(F)F)cc1	780358269	FTWQKHNAFXNFFJ-GVDBMIGSSA-N	406.473	3.969	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c(N(C)C)n1	783483436	WWQKIOSEJXKTBT-KRWDZBQOSA-N	417.513	3.771	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCc2ccccc2Cl)cc1	786686248	BIYVIIMUKXRQNQ-UHFFFAOYSA-N	401.938	3.504	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1Br	790411282	JFSFUWDIZMZYBU-UHFFFAOYSA-N	414.277	3.525	10	20	HHCD	
Cc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(Br)cc3O)C2=O)cc1	790747493	DOWRDUWVRZVAQL-KBXCAEBGSA-N	403.320	3.915	10	20	HHCD	
Cc1cccc(C)c1NC(=O)CN1CCN(Cc2c(O)ccc(Cl)c2F)CC1	792156751	MESXHRQYPDQFCA-UHFFFAOYSA-N	405.901	3.558	10	20	HHCD	
Cc1ccc2c(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)csc2c1	794995768	BPCKOIZUPUCWMI-QGZVFWFLSA-N	407.539	3.841	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1	801634734	SQCQRKVEFXMJIW-UHFFFAOYSA-N	421.519	3.607	10	20	HHCD	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	803659889	WGDRHGXCKZBELC-GJZGRUSLSA-N	419.928	3.812	10	20	HHCD	
CCCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805025442	PPJOAHXYXHVNQJ-UHFFFAOYSA-N	407.558	3.978	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1	806544019	QMMBKADMVRALHJ-UHFFFAOYSA-N	423.510	3.616	10	20	HHCD	
CCN(Cc1ccoc1)C(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	807951794	AUOCFLSNEBDGBY-INIZCTEOSA-N	417.937	3.834	10	20	HHCD	
Cc1cscc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	809410028	XSIKYRRPVSWGLR-UHFFFAOYSA-N	411.527	3.561	10	20	HHCD	
CC(C)OC(=O)C1(C(=O)OC(C)C)CC(NCc2cc(Cl)cc(Cl)c2O)C1	809776066	RXHOIHJQXLTRGX-UHFFFAOYSA-N	418.317	3.841	10	20	HHCD	
CC[C@@]1(CNC(=O)NCc2cccc(Br)c2O)OCCc2ccccc21	811926468	RAYUXPRREZHKQV-FQEVSTJZSA-N	419.319	3.832	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(CCc2ccccc2)n1C[C@H]1CCCCO1	812442672	CJUBCPZZMGEOJT-OAQYLSRUSA-N	406.530	3.974	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cn(C2CCOCC2)nn1	813507523	MWPYTQAFKHICMZ-KRWDZBQOSA-N	406.486	3.739	10	20	HHCD	
O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NCc1cc(Cl)cc(Cl)c1O	813684768	WQFDPWZCUSBETC-UHFFFAOYSA-N	421.202	3.764	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(C(F)(F)F)n1	857472310	KCFBWATXTRFPAC-AWEZNQCLSA-N	413.827	3.854	10	20	HHCD	
O=C(CN1CCN(C[C@H]2CCCO2)CC1)Nc1ccc(N=Nc2ccccc2)cc1	916150028	OATWIKROTUDFPY-JOCHJYFZSA-N	407.518	3.837	10	20	HHCD	
CCCOc1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	918294766	VTVPFEQGJRYUBS-UHFFFAOYSA-N	408.454	3.942	10	20	HHCD	
CCN(CC)Cc1cccc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1	918303312	CKWNIKWZCAIVMQ-UHFFFAOYSA-N	410.562	3.582	10	20	HHCD	
Cc1ccc(C(=O)N2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1F	918330348	CNDASPDGONEJNL-UHFFFAOYSA-N	420.488	3.535	10	20	HHCD	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	920114614	COUGVVCWDNUVGX-UHFFFAOYSA-N	416.865	3.947	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]4CCCC[C@H]4C3)cc2F)C[C@@H](C)O1	1317923756	IZAPOQKGGZPEJI-QCFAMHMHSA-N	417.569	3.568	10	20	HHCD	
c1ccc(N2CCN(C[C@@H]3CCCN(Cc4ccc(N5CCCC5)cc4)C3)CC2)nc1	1320493663	DOKGCPPZYKWVGE-DEOSSOPVSA-N	419.617	3.716	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC4(CC3)OCCc3ccsc34)cc2F)CC1	1325030050	XLWGTEXBAAOBIB-UHFFFAOYSA-N	415.578	3.703	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCCN2C(=O)c3ccncc3C2=O)c1	1344565830	CJZRVGDGMIKTPG-UHFFFAOYSA-N	423.856	3.596	10	20	HHCD	
COc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1OCc1ccncc1	48714699	VOZGNLIUKRJCHH-UHFFFAOYSA-N	419.525	3.796	10	20	HHCD	
COc1cccc(CN[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1O	237421984	JLFZESOFBHXRES-JOCHJYFZSA-N	411.523	3.992	10	20	HHCD	
CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1	303816492	OKKIETRCRYJMLM-UHFFFAOYSA-N	421.545	3.564	10	20	HHCD	
Cc1cc(-c2noc(CCC(=O)N3CCOc4cc(N(C)C)ccc43)n2)ccc1F	437012134	ZBPKPTPPROJQDD-UHFFFAOYSA-N	410.449	3.608	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2c(C)noc2n1	726564622	OMNWLECURKHCKZ-UHFFFAOYSA-N	416.428	3.840	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3c(C)[nH]c4ccccc34)CC2)cc1	726983931	XMBKLGPWPOBANJ-UHFFFAOYSA-N	406.530	3.996	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2sccc2-n2c(C)ccc2C)c1	727407067	PWOIDHRYLDEGOY-OAHLLOKOSA-N	417.556	3.555	10	20	HHCD	
Cc1cc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1	728076858	HAPLRZOEYHUYGV-NRFANRHFSA-N	424.589	3.535	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(I)c2)c1	729037421	WGTUUYBSIOASIM-SNVBAGLBSA-N	412.227	3.888	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1F	730900560	TWZZZAYVLUGWDT-MRXNPFEDSA-N	405.445	3.910	10	20	HHCD	
CCN(CC(=O)N[C@@H](c1ccccc1)c1nccs1)c1ccc(OC)c(OC)c1	731030756	KNHALPXDHZXUAO-NRFANRHFSA-N	411.527	3.892	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2N2CCN(C)CC2)cc1F	731361906	CDDZFBNKDDIXCJ-UHFFFAOYSA-N	413.541	3.745	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](N4CCCCC4=O)C3)ccc21	732775430	GSCPTLBOWOGVHK-HXUWFJFHSA-N	411.546	3.522	10	20	HHCD	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCSc1nccs1	733880920	RKZYFZQSPZTKLC-UHFFFAOYSA-N	409.536	3.910	10	20	HHCD	
COc1cc(N(C)CC(=O)NC[C@H](c2ccccc2)C(C)C)cc(OC)c1OC	741799354	ZXGFSIUSTIMCES-IBGZPJMESA-N	400.519	3.705	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCC[C@H]3CCC[C@H]31)c2[N+](=O)[O-]	741983928	IVCZHPBZKGLURR-FZKQIMNGSA-N	404.422	3.775	10	20	HHCD	
C/C(=C\C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(C)(C)C	742572667	FBTHGPANFCHOAX-SAPNQHFASA-N	411.525	3.551	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3c(F)c(F)cc(F)c3F)cc2F)C[C@@H](C)O1	748524158	HLHFSAZUFGMMEX-GHMZBOCLSA-N	414.374	3.926	10	20	HHCD	
CC[C@](C)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)C(=O)OC	748785665	CZYXGHQYGIUZBV-IBGZPJMESA-N	407.308	3.928	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	748933064	CWWSSSCRUOMQIJ-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
O=C(CCN(Cc1ccccc1O)C[C@@H]1CCCO1)N[C@H]1CCCc2ccccc21	749294989	AHEGZCHBEXCFAT-GMAHTHKFSA-N	408.542	3.957	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)n3C)CC2)cc1F	753737785	DLKDDZNSBJQWSB-UHFFFAOYSA-N	411.452	3.941	10	20	HHCD	
COc1ccc(CC[C@@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753880242	CVGOKUTWEPYUTA-QGZVFWFLSA-N	415.509	3.696	10	20	HHCD	
CC(C)[C@H]1C[C@@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CS1	754126275	ZINULWOWNAKLPI-WIYYLYMNSA-N	415.582	3.562	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	754127430	IWANZTZOJUUPAI-ZWQIFLOQSA-N	421.488	3.514	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2cccc([N+](=O)[O-])c2)cc1	755258629	BFCDSXLTIKXWSA-JOCHJYFZSA-N	411.502	3.801	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c(C(F)(F)F)ccnc1Cl	758794925	LGLRMYDQNWAZEN-UHFFFAOYSA-N	417.790	3.660	10	20	HHCD	
COc1ccccc1[C@@H](CNC(=O)NCCCSc1nccs1)N1CCCC1	759538952	OAVPHXDWLUSSIK-QGZVFWFLSA-N	420.604	3.770	10	20	HHCD	
C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[C@@H]1NC(=O)OC(C)(C)C	759603054	PUHPDKURZCPNLL-KBPBESRZSA-N	414.597	3.570	10	20	HHCD	
CC(C)(C)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1	761887434	YQPFUXPAHYVEES-UHFFFAOYSA-N	413.537	3.579	10	20	HHCD	
Cc1cc(CN(Cc2cc3c(cc2O)OCO3)CC(C)C)nc(N2CCCCC2)n1	763331748	HWRYZDDAEXHWFN-UHFFFAOYSA-N	412.534	3.868	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)c2C)cc1	763825569	RQYLSQKYFJBGFY-UHFFFAOYSA-N	410.495	3.685	10	20	HHCD	
C[C@]1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO[C@@H]1C1CC1	767955969	RKXLYOHYQLGHMD-DENIHFKCSA-N	423.504	3.761	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc2c(c1)CCC2	768012292	IPQAYGKRPXYITJ-UHFFFAOYSA-N	411.571	3.508	10	20	HHCD	
COc1ccc(CN2CCN(Cc3cccc(Br)c3O)CC2)cc1F	768199136	ZWDQFKQDGUFVPY-UHFFFAOYSA-N	409.299	3.620	10	20	HHCD	
Cc1cc(C(=O)CN2CCOC3(CCOCC3)CC2)c(C)n1-c1cccc(F)c1	769229578	ZHRQZWRCXNKUQF-UHFFFAOYSA-N	400.494	3.687	10	20	HHCD	
O=C(c1cc2occc2s1)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769472230	FVMUIKSLYSIMDL-UHFFFAOYSA-N	421.862	3.720	10	20	HHCD	
Cc1cc2c(cc1C)[C@@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CO2	769866716	ZYIVXYNQRHGPCC-QKLQHJQFSA-N	412.505	3.849	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccn(Cc4ccccc4)n3)cc2F)C[C@@H](C)O1	771931463	ZDLRZHRUIRRUTA-HDICACEKSA-N	422.504	3.614	10	20	HHCD	
CSc1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1-c1ccc(F)cc1	773741144	VODHUFYDKYEOGE-GFCCVEGCSA-N	401.463	3.506	10	20	HHCD	
CCOc1cc2c(cc1OCC)CN(Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2	774821900	VKZJDGSIFIPGIC-UHFFFAOYSA-N	402.447	3.665	10	20	HHCD	
CC(C)c1ccc(CCNC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	775257347	HSVIAPQTAAPCMN-FQEVSTJZSA-N	409.574	3.656	10	20	HHCD	
COc1cc(Br)cc(CNCc2nc3cccc(Cl)c3n2C)c1O	775319281	SAOKKJFQGUOMHO-UHFFFAOYSA-N	410.699	3.993	10	20	HHCD	
CC[C@@H](NCc1cccc(OCC(=O)NC)c1)c1cc(Br)ccc1O	775494308	ZMYVPBLSOQOKDO-QGZVFWFLSA-N	407.308	3.520	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@](O)(c3ccc(F)cc3)C2)c1O	776766798	VGCMNAUBOKQDQU-XMMPIXPASA-N	407.441	3.561	10	20	HHCD	
CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)/C=C/c2ccc(O)c(O)c2)ccn1	779529841	PYQSBWVKXLIFMR-VMPITWQZSA-N	419.437	3.605	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	780620657	HKCYCVAWOMXCPM-FUHWJXTLSA-N	404.555	3.902	10	20	HHCD	
CCC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)Nc1cccc(N2CCCC2)c1	780920429	DCLDPZDLFZJLSU-LJQANCHMSA-N	411.502	3.544	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	782578610	LGLHUXWYRXOIHA-OALUTQOASA-N	414.550	3.698	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)cc1F	783319221	AYBPFQWNSHKZEM-UHFFFAOYSA-N	419.884	3.783	10	20	HHCD	
COC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1	786797063	QVUDPBURBFYWJV-WIYYLYMNSA-N	401.938	3.519	10	20	HHCD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)o1	787323457	DNCXTXIDYUZVGD-BEFAXECRSA-N	408.454	3.547	10	20	HHCD	
O=C(Cc1cccc(Cl)c1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1	789965210	BCSJFYYOLUKZEZ-UHFFFAOYSA-N	411.304	3.953	10	20	HHCD	
COc1cccc(CN(CCN(C)C)C(=O)c2cc(C)n(-c3ccccn3)c2C)c1	791347992	VVNJPEJRESCPKD-UHFFFAOYSA-N	406.530	3.702	10	20	HHCD	
CCN(Cc1ccc(N(C)CCOC)nc1)Cc1cc(Br)ccc1O	792170112	PBSHGRHGYWWOMH-UHFFFAOYSA-N	408.340	3.654	10	20	HHCD	
COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1SC	792702585	AMPBHSNFMMIHGF-UHFFFAOYSA-N	417.936	3.984	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccc(Br)n2)C2CCCCC2)cc1	793037091	ULXLATVEFOJVIS-UHFFFAOYSA-N	417.307	3.731	10	20	HHCD	
COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c(O)c1	794379869	YJZAYPHGVBUINJ-UHFFFAOYSA-N	400.438	3.579	10	20	HHCD	
COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1	795554785	RETVFPUDQMCWFK-UHFFFAOYSA-N	408.501	3.976	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccccc1CN1CCOCC1	801965985	GYKSUOHTYGKSJG-UHFFFAOYSA-N	411.546	3.736	10	20	HHCD	
Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N(C)Cc1ccc(N3CCCCC3)cc1)CC2	805057168	BJKYQHXYDFHWFS-HSZRJFAPSA-N	405.542	3.747	10	20	HHCD	
C[C@@H](NC(=O)Nc1cnn(C)c1-c1ccccc1)c1ccc(N2CCOCC2)cc1	806780770	GDLAJQIKFPMNCY-QGZVFWFLSA-N	405.502	3.806	10	20	HHCD	
CC[C@@H](C)N[C@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccco1	807441980	SSKOSLNBFWKLRJ-WIYYLYMNSA-N	414.550	3.639	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccc(SC)cc1	807668948	APFJUENEROBDHJ-UHFFFAOYSA-N	400.544	3.602	10	20	HHCD	
CCC(CC)[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CCO1	808070668	UQFDCUJERAFHSB-IFMALSPDSA-N	417.594	3.591	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1Br	808124114	LGEWHGFIVVOUDE-JTQLQIEISA-N	400.229	3.901	10	20	HHCD	
CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc2c(c1)CCN2Cc1ccccc1	809595546	MOXPCENINMVVKI-ARMFNRFLSA-N	405.586	3.933	10	20	HHCD	
CN1CCN(CC2CCN(Cc3ccc4c(c3)CCN4Cc3ccccc3)CC2)CC1	809736948	OOSDWTZTDNXNJN-UHFFFAOYSA-N	418.629	3.709	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O	811705368	MGFDKNHUZPATLT-UHFFFAOYSA-N	400.840	3.680	10	20	HHCD	
Cc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)n1-c1ccccn1	914846954	DTXWBAJJNRKHKI-UHFFFAOYSA-N	402.498	3.980	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	915081210	MWHCXVHQXVSDPH-QFIPXVFZSA-N	421.541	3.607	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1	915259778	XUYZMNHCOZHQOJ-UHFFFAOYSA-N	411.502	3.922	10	20	HHCD	
Cc1cc(CC(=O)NC2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(Cl)cc1	915645059	KWHARILIDPEAPD-UHFFFAOYSA-N	423.948	3.865	10	20	HHCD	
CC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	918047729	AFYBBWLSYOCIMO-UHFFFAOYSA-N	420.872	3.596	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC3CCN(Cc4ccccn4)CC3)c2C)cc1	918608526	GLBGWLUGAHYFMW-UHFFFAOYSA-N	418.541	3.892	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(F)c3Br)CC2)cc1	1347687281	DHXALEMOTPFVBS-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
C/C=C(\C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1821892296	FRGZSZJGHMDWIJ-MTDDYQMPSA-N	418.881	3.746	10	20	HHCD	
CN(c1ccc(CNC(=O)CCn2cnc3ccccc3c2=O)cc1)C1CCCCC1	109300041	ULOAYVQRIAMHRF-UHFFFAOYSA-N	418.541	3.872	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1	116731670	DBQFKINJCZEIEK-NRFANRHFSA-N	424.541	3.839	10	20	HHCD	
CCOC(=O)[C@H]1CCCN(C(=O)CN(Cc2cccs2)c2ccc(OC)cc2)C1	302855108	JNIMAEZDFFUURS-KRWDZBQOSA-N	416.543	3.565	10	20	HHCD	
Cc1c(NC(=O)CCN(Cc2ccccc2O)C[C@@H]2CCCO2)cccc1[N+](=O)[O-]	303351922	HKNJXNVPOAXWMR-SFHVURJKSA-N	413.474	3.619	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)n(C)c2ccccc12	565794585	GBCJMVOXRGAAJM-GOSISDBHSA-N	423.488	3.661	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	725751309	PBCSBCFQUSOTRU-GOSISDBHSA-N	412.534	3.961	10	20	HHCD	
O=C(NCc1ccccc1O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1	726241915	HYJVWXRJKRUKHW-SFHVURJKSA-N	417.465	3.789	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H](C(C)C)N3CCC(C)CC3)CC2)cc1	726612498	BBKROLHBCPQRMN-QHCPKHFHSA-N	416.610	3.720	10	20	HHCD	
CCCC(=O)Nc1ccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726612556	CPPVUXYBDKOIJE-UHFFFAOYSA-N	424.545	3.902	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cc(-c4ccccc4)no3)CC2)cc1	726706617	ONDBTVTZEQXYOD-UHFFFAOYSA-N	406.486	3.818	10	20	HHCD	
CC(C)C[C@@H](C)CC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	727880273	FWCYGPWBNMMYBD-KURKYZTESA-N	422.541	3.671	10	20	HHCD	
COc1ccccc1[C@H](C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	728603290	TUAYXERHTMIPRB-MRXNPFEDSA-N	400.494	3.605	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3ccc([C@H]4C[C@@H]4C)o3)cc2F)CC1	730193177	YCFACIMJUGWFOJ-PXNSSMCTSA-N	413.537	3.933	10	20	HHCD	
Cc1cccnc1[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C	734525897	KYWBAHTWHSAZRC-HXUWFJFHSA-N	400.498	3.562	10	20	HHCD	
COC1CCC(N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	734660506	QXHPYLFPXOIGHV-XYCLOBBJSA-N	407.530	3.538	10	20	HHCD	
CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(N2CCSCC2)cc1	738969575	GUVWUHJXRZMKFE-UHFFFAOYSA-N	418.651	3.893	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(NC(=O)C2CC2)cc1	740920132	TYDXIDPFAVTMOQ-QGZVFWFLSA-N	404.514	3.972	10	20	HHCD	
CN(c1ccc(CNC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1)C1CCCCC1	742417403	WXNAAXFOLCVSSY-JOCHJYFZSA-N	408.546	3.871	10	20	HHCD	
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCc1ccc(N2CCCCC2)cc1	742476172	ZIZQRISXDBUSOD-UHFFFAOYSA-N	418.541	3.710	10	20	HHCD	
O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)n2)c1	743045398	IRXGOEIHKVEXJN-UHFFFAOYSA-N	415.374	3.936	10	20	HHCD	
COC(=O)c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c(OC(F)F)c1	743156871	YBQUYVODSYPICR-UHFFFAOYSA-N	420.412	3.981	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCSCC4)cc3)CC2)cc1	743187507	PCTPXPVKOWTULA-UHFFFAOYSA-N	412.559	3.603	10	20	HHCD	
CO[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1	743553168	FYKBPXGQLZSRDS-HXUWFJFHSA-N	421.900	3.503	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc([N+](=O)[O-])c(OC)c1	743808272	RLUKHASPZFZLSH-UHFFFAOYSA-N	409.236	3.734	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC4(CCOCC4)C3)c2C)cc1	744427969	CEZDINYXEIHRJD-UHFFFAOYSA-N	410.514	3.566	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)cc1	745655328	IDJDOUKFXBHRNM-UHFFFAOYSA-N	404.518	3.517	10	20	HHCD	
CCN(CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)c1ccc(OC)cc1	746109513	RQJCYYPHPDWRSN-UHFFFAOYSA-N	406.530	3.700	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSCc2cscn2)cc1	747403868	PMUALRHLUQZBGD-LJQANCHMSA-N	405.589	3.650	10	20	HHCD	
CCOc1cc(Br)c(CC(=O)NCc2ccccc2O)cc1OCC	748352529	DIWKHKAGDTVCJR-UHFFFAOYSA-N	408.292	3.811	10	20	HHCD	
O=C(CCN(Cc1ccccc1O)C[C@@H]1CCCO1)NCc1ccccc1Cl	749295024	AMQQEBKETKPSEU-IBGZPJMESA-N	402.922	3.733	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)c2C)cc1	750131342	HRSURJHOYJRBSJ-FQEVSTJZSA-N	422.525	3.777	10	20	HHCD	
Cc1cc(C(=O)OCc2ccc(OC3CCOCC3)nc2)c(C)n1-c1ccccn1	752532864	QODNHTZFHVXWMS-UHFFFAOYSA-N	407.470	3.799	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1	753645562	VZJPOWHWJJHUTD-UTKZUKDTSA-N	418.493	3.706	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1F	753738133	LZAMWLHGOIWNEW-UHFFFAOYSA-N	414.868	3.636	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cn(C(C)C)cn3)n2)cc1[N+](=O)[O-]	753918591	LKHZXXFOFVXDHA-UHFFFAOYSA-N	407.477	3.605	10	20	HHCD	
COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754544159	WOROMQUWIZUZEW-UHFFFAOYSA-N	413.429	3.854	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCOc2cccc(C(F)(F)F)n2)C2CC2)cc1	759625585	MDZRNDPYLMIAQH-UHFFFAOYSA-N	422.451	3.919	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccccc1OC(F)(F)F	761060116	YXQGJMAQPRGTGX-UHFFFAOYSA-N	400.740	3.913	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1	761995243	ICMDHBHELGFKCM-UHFFFAOYSA-N	406.504	3.965	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	765326764	UAGLWLOGZYQJRQ-OXJNMPFZSA-N	424.463	3.633	10	20	HHCD	
Cc1ccc2c(CCNC(=O)NCc3cccc(Br)c3O)c[nH]c2c1	765480360	RLMDYROFGDWIDN-UHFFFAOYSA-N	402.292	3.986	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(OCCOC)cc3)cc2F)CC1	765852083	JXENTGCFKNTTFG-IBGZPJMESA-N	415.553	3.844	10	20	HHCD	
Cc1ccc(C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C(C)C)cc1	765978681	FHIDXIIECPXKJG-HSZRJFAPSA-N	400.588	3.587	10	20	HHCD	
CCc1ccc(CS(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	768818500	YCBFRJPWFZGKPH-IRXDYDNUSA-N	420.550	3.621	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c[nH]c3nccc(Cl)c23)cc1	769627845	YOYBHEVMJXXNDS-UHFFFAOYSA-N	406.939	3.883	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c1	769979583	XUNKTZMEBFXAMP-UHFFFAOYSA-N	420.506	3.530	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3c(OC)ccc(SC)c3OC)c2)CC1	770146062	DRMJBVNLULFZJB-UHFFFAOYSA-N	415.559	3.820	10	20	HHCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21	770390406	YOHSTVNINKOLKY-CQSZACIVSA-N	417.270	3.568	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1C(=O)OC(C)(C)C	772476338	DTIJBHQEFXPGJD-RDJZCZTQSA-N	417.550	3.858	10	20	HHCD	
CC1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)CC1	773844177	CSUIUVZYPKBYOA-SFHVURJKSA-N	408.546	3.805	10	20	HHCD	
C[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1cc(Cl)c(Cl)cc1O	774169483	QUZSQOIJAZQFID-CYBMUJFWSA-N	410.345	3.841	10	20	HHCD	
CC[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)ccc1O	775498407	YXVDJLMSSNNWAB-MRXNPFEDSA-N	413.337	3.767	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)c1	776023327	FZUVYRBJXBQPPN-JTQLQIEISA-N	417.359	3.958	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1O	779050961	SACZAEZACQLNDY-RDTXWAMCSA-N	418.335	3.700	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1	779481920	SCNYKLCLSGBVGS-SOFGYWHQSA-N	415.877	3.531	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)cc1	780783238	AWNTUPVIMOPNCX-FYYLOGMGSA-N	424.541	3.640	10	20	HHCD	
C[C@@](O)(CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	780919945	YQYQGCXNBCMLHS-JOCHJYFZSA-N	404.457	3.671	10	20	HHCD	
COCCn1ccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	784310253	ASVQYFFQULJPCH-UHFFFAOYSA-N	407.430	3.740	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1	785296642	HGJANUXKKMPCAA-HNNXBMFYSA-N	406.438	3.576	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(-c4ccco4)cc3F)ccc21	787480216	KCZHGCBJUATJHJ-UHFFFAOYSA-N	407.445	3.723	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3cc(OC)ccc3OC)CC2)cc1	788092383	WZKVHPUPOFLUIE-UNMCSNQZSA-N	410.514	3.601	10	20	HHCD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1Cl	788674897	LJHGUMQKZHSOEN-NSHDSACASA-N	416.952	3.602	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1	788937899	OEQOXMARNPCDAK-JOCHJYFZSA-N	409.505	3.700	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(COc3ccc(Cl)nc3)CC2)c1O	789759035	WJSYWVAGMKZUJS-UHFFFAOYSA-N	407.854	3.648	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)c(O)c1	792788915	SMLMEMJULZFCHT-UHFFFAOYSA-N	422.481	3.988	10	20	HHCD	
CC1(C)[C@@H](Oc2ccccc2)C[C@H]1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	793522974	OOMWZFKQGGWZRE-PMOQBDJRSA-N	407.558	3.724	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	797647655	LCERKYQIKVLOKX-CQSZACIVSA-N	409.486	3.540	10	20	HHCD	
CC(C)[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1	797943322	PPTUYEHVFWCQPD-PZJWPPBQSA-N	401.938	3.961	10	20	HHCD	
CCCN1CCC(NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1	798270525	PMALKEHTDQBIMN-OAQYLSRUSA-N	404.599	3.782	10	20	HHCD	
CN1Cc2cc(-c3csc(NS(=O)(=O)c4cccc(F)c4)n3)ccc2NC1=O	799186878	ISTXAUQVMGCLBO-UHFFFAOYSA-N	418.475	3.727	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O	802237636	IDOBPMYUDINDMF-GOSISDBHSA-N	411.502	3.518	10	20	HHCD	
CS(=O)(=O)N1CCC(N(Cc2cc(-c3ccccc3)ccc2O)CC(F)F)CC1	802658264	QSZJUDAQFNHCJS-UHFFFAOYSA-N	424.513	3.550	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC2CC(C)(c3ccccc3)C2)cc1	804971596	HVPHSVCJWWUABL-UHFFFAOYSA-N	407.558	3.728	10	20	HHCD	
C[C@H](NCc1ccncc1OC[C@H]1CCOC1)c1cc(Br)ccc1O	806660213	TULZMOLDEXAVJR-KBPBESRZSA-N	407.308	3.816	10	20	HHCD	
Cc1ccc(N2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2=O)cc1	806862079	IBXARSGFGXWIDR-MRXNPFEDSA-N	408.285	3.612	10	20	HHCD	
Cc1ccc(CC[C@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)o1	807652183	NWSPYBGVDUUDLS-INIZCTEOSA-N	410.470	3.553	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3	808009879	BOKQQNHEQVOCJV-UHFFFAOYSA-N	416.499	3.715	10	20	HHCD	
CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1	808528399	ADXFDGJFIVGTMB-UHFFFAOYSA-N	419.503	3.842	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1	809371021	DZUVPHQNRUOFMV-AWEZNQCLSA-N	424.419	3.907	10	20	HHCD	
CNC(=O)COc1cccc(CN[C@@H](CCc2ccccc2)c2ccccc2O)c1	815561613	KNTOBNQNXTZJBN-QHCPKHFHSA-N	404.510	3.981	10	20	HHCD	
COc1ccc(-n2nnc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2C)cc1	915147428	FTXUVBGHCRUSFK-UHFFFAOYSA-N	407.518	3.701	10	20	HHCD	
CC(C)COc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	915269422	YXEDOZXCFIAQMP-FQEVSTJZSA-N	419.543	3.797	10	20	HHCD	
O=C(CCCc1ccc(Br)s1)NCc1ccc(N2CCOCC2)cc1	919766938	BKDAKNPJRCGIJH-UHFFFAOYSA-N	423.376	3.986	10	20	HHCD	
COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc3c(cc2O)OCO3)c(OC)c1	920406732	ZWKRZHRNDYXTJK-JOCHJYFZSA-N	420.421	3.909	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2	920867437	REFUSDGCUFQWCQ-NKQFANSYSA-N	411.590	3.647	10	20	HHCD	
Fc1cc(CNCc2ccc3c(c2)CCC3)ccc1N1CCN(c2ncccn2)CC1	1319934515	HSFMVXWLEWJNJU-UHFFFAOYSA-N	417.532	3.721	10	20	HHCD	
CCN(CC)c1ccc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1	1198736	ALLAESAMDYPUNF-LDADJPATSA-N	410.470	3.903	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1=Cc2cc(Br)ccc2OC1	28495001	LBBPNJHJYIJVOI-UHFFFAOYSA-N	401.304	3.950	10	20	HHCD	
COc1ccc(Br)cc1C(=O)CCC(=O)NCc1ccc(N(C)C)cc1	28669461	HCWGMDAYOYTQCP-UHFFFAOYSA-N	419.319	3.803	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)cc1	108429850	HFZKOYLVILTNGR-UHFFFAOYSA-N	424.501	3.556	10	20	HHCD	
C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(N2CCOCC2)cc1	109180830	JAQUHHOAWBRHJK-OAHLLOKOSA-N	416.905	3.829	10	20	HHCD	
COc1ccc(N2CCN(c3ncccc3C(=O)N3CCc4ccccc43)CC2)cc1	301090485	LLWYLKOCDXCLGQ-UHFFFAOYSA-N	414.509	3.620	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(OC)c1OC	303138893	COMOBDOSRHOHNT-UHFFFAOYSA-N	419.481	3.922	10	20	HHCD	
CN(C)Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	303900467	QLYLGDBSCJTZFV-UHFFFAOYSA-N	421.463	3.534	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	725826492	UUDWPOCZECOQKI-UHFFFAOYSA-N	411.911	3.914	10	20	HHCD	
CCNC(=O)c1cccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	726100531	UXJPIZIDRRTADP-UHFFFAOYSA-N	407.470	3.647	10	20	HHCD	
CC(C)(C)OCc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1	726190967	RJMOFFZOFBRIMI-UHFFFAOYSA-N	411.546	3.838	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1	726725459	DUVBMKOEQVJBJM-UHFFFAOYSA-N	422.312	3.726	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NCCc1ccc2c(c1)OCCO2	726750432	XMIACTAPMQTYJL-UHFFFAOYSA-N	413.587	3.851	10	20	HHCD	
CC(C)(C)c1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)cc(C(C)(C)C)c1O	727176693	YAISSWFFCUGVQV-NTEUORMPSA-N	406.573	3.674	10	20	HHCD	
O=C(C[C@H](c1ccccc1)N1CCOC1=O)NCc1ccc(N2CCCCC2)cc1	728270340	IJORYMJUJNVGPN-JOCHJYFZSA-N	407.514	3.877	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1O	729559342	RBZNVAISPCOXGQ-UHFFFAOYSA-N	411.502	3.903	10	20	HHCD	
Cc1nn(C)c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1C	730202090	IPVYVUBNANIWQJ-UVTDQMKNSA-N	420.585	3.719	10	20	HHCD	
COC(=O)c1cn(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c2ccccc12	731017069	UTWXAAMBKJQELD-UHFFFAOYSA-N	419.525	3.981	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cc1F	731405109	UMPBNHFBNBUIPQ-SFHVURJKSA-N	412.509	3.556	10	20	HHCD	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NCc3cccc(OC)c3O)ccc21	737285357	BDAFIXTVIRGOQZ-UHFFFAOYSA-N	417.465	3.784	10	20	HHCD	
CC(C)(C)OC(=O)N(CCCNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	741079075	YQSQRZHPJXMLFU-UHFFFAOYSA-N	414.550	3.652	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1	741088849	DMOHFVIZBNAVIY-LPHOPBHVSA-N	404.555	3.506	10	20	HHCD	
Cc1cc(C(=O)OCc2csc(CS(C)(=O)=O)n2)c(C)n1-c1ccc(F)cc1	741830879	ZBAIQODPNVPCIT-UHFFFAOYSA-N	422.503	3.591	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccccc1C(C)(C)C)c1ccc(N2CCOCC2)cc1	742283386	AFGNASGTPNEMOE-KRWDZBQOSA-N	402.560	3.860	10	20	HHCD	
CCN(CC(=O)N1CCc2sccc2C1)Cc1cc(Br)ccc1O	743871767	LQKXUFZTPFAFGP-UHFFFAOYSA-N	409.349	3.623	10	20	HHCD	
COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC(C)C	743929626	FXBAFEOBODFNAF-MRXNPFEDSA-N	410.474	3.992	10	20	HHCD	
O=C(NCc1ccc(O)c(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745834602	RHHDKAQFZNSYNO-AWEZNQCLSA-N	409.408	3.601	10	20	HHCD	
CC(C)CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	746037508	GQZXNSQCHSUDOB-UHFFFAOYSA-N	401.482	3.572	10	20	HHCD	
CCc1nc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)sc1C	748026435	BERXMRUBVGMLOY-UHFFFAOYSA-N	423.541	3.834	10	20	HHCD	
Cc1ccc(C(=O)NCCN[C@H](C)c2cc(Br)cc(F)c2O)cc1F	756393978	ANVIOMIFLZFBJF-LLVKDONJSA-N	413.262	3.822	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)c1	756512160	WTRWOYVXOMTXLD-HNNXBMFYSA-N	405.454	3.677	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1cccc(N2CCCC2=O)c1	759568443	GDMDSDIVWBYNNY-CQSZACIVSA-N	404.561	3.813	10	20	HHCD	
C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)NC(c1ccccc1)c1ccccc1	759590808	AKWAPISCNOCAPW-LCJXNMAOSA-N	417.461	3.949	10	20	HHCD	
COc1cc(N2CCN(Cc3ccccc3OC(F)F)CC2)cc(OC)c1OC	759871550	CJHXXVFSYQQWFT-UHFFFAOYSA-N	408.445	3.636	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	761578667	VWYPEPSMAJSAPB-BZUAXINKSA-N	415.465	3.767	10	20	HHCD	
O=C1/C(=C\c2ccc(OCCN3CCCC3)cc2)SC(=S)N1Cc1ccon1	764411071	GBQOOQXHWLJXRS-QGOAFFKASA-N	415.540	3.551	10	20	HHCD	
C[C@H](NCCc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1Cl	764581821	AQWVPZZEGCCJSN-INIZCTEOSA-N	402.922	3.841	10	20	HHCD	
CCN1CCN(c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2)CC1	769847474	IJGLEGGYZDGUSK-UHFFFAOYSA-N	414.358	3.936	10	20	HHCD	
COc1cc(Br)cc(CN2CCN(C(C)=O)C3(CCCCC3)C2)c1O	770291378	HWMXWILRHCTDAR-UHFFFAOYSA-N	411.340	3.530	10	20	HHCD	
NC(=O)CCOc1ccccc1NCc1ncc(-c2cccc(Br)c2)[nH]1	770529187	LLZWQZFWWQHZPY-UHFFFAOYSA-N	415.291	3.706	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](C)[C@H](OC)c3ccc(F)cc3)CC2)cc1F	770832100	TVDUVHMBMPOICT-VFNWGFHPSA-N	419.472	3.581	10	20	HHCD	
COC(=O)C[C@]1(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CCCOC1	771657389	SWHPFZCLFXXSNI-OAQYLSRUSA-N	404.894	3.590	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)c1ccc(N(C)C)cc1	773622683	HREAUQPJSLQEOW-ACJLOTCBSA-N	406.324	3.609	10	20	HHCD	
CCCc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nnn1-c1cccc(Cl)c1	773745669	PUIGIUXCODXUJQ-ZDUSSCGKSA-N	414.893	3.645	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1O	774927265	DLWNAHGBSOMKEF-GJZGRUSLSA-N	401.463	3.530	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1Br	775294407	NBRZUWQHCXQSMR-UHFFFAOYSA-N	400.294	3.889	10	20	HHCD	
COc1ccc(O)c(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)c1	775749260	IKLWPVXZKZGSLW-UHFFFAOYSA-N	418.541	3.773	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(C)n(-c4ccc(C)cc4)n3)CC2)cc1	776887311	SYGKIGSNIZMUIZ-UHFFFAOYSA-N	404.514	3.897	10	20	HHCD	
CCOC(=O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(OC)c(Br)c1	779178045	JXGFTQAHMPVJSO-IBGZPJMESA-N	421.335	3.918	10	20	HHCD	
CCOC(=O)[C@H](NCc1cccc(C)c1O)c1ccc(OC)c(Br)c1	779178295	MVSUYWMGHKQUFG-QGZVFWFLSA-N	408.292	3.866	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NOCc1ccc(F)cc1Br	780483334	QRUKGPNCTAFAEE-UHFFFAOYSA-N	420.282	3.895	10	20	HHCD	
COC(=O)c1csc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1C	784062153	YSWUQRUQHMSWQC-UHFFFAOYSA-N	415.515	3.730	10	20	HHCD	
Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)ccc1-n1nnnc1C(C)C	784640602	MGYZNQINJORDCV-UHFFFAOYSA-N	410.497	3.682	10	20	HHCD	
CSC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1	790077335	CZPLHSZYBXHZJR-RAXLEYEMSA-N	412.627	3.741	10	20	HHCD	
Cc1c(NC(=O)NCc2cccc(Br)c2O)cccc1NC(=O)N(C)C	791908257	JDUHRWIKPNUYLZ-UHFFFAOYSA-N	421.295	3.878	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c(Br)c1	794596308	LTBIBQAVZLINJO-UHFFFAOYSA-N	400.294	3.889	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1	794872312	JOJPQJLRLXZHPH-UHFFFAOYSA-N	424.272	3.533	10	20	HHCD	
C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1c(O)ccc2cc(Br)ccc12	795689009	GZQDBBHZBDFKGJ-RHSMWYFYSA-N	405.336	3.603	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C1(c2ccc(I)cc2)CC1	800513879	ALKNATLPQOQJQD-UHFFFAOYSA-N	407.251	3.687	10	20	HHCD	
Cc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1	802753691	NDWPNOZJBQJNJM-AZUAARDMSA-N	421.545	3.614	10	20	HHCD	
Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCCCSc2nccs2)cc1	806275926	ZSUUOOJJBGNXPA-MSOLQXFVSA-N	417.600	3.845	10	20	HHCD	
Cc1cc(Br)cc(CNc2ccc(F)c(N3C(=O)CCC3=O)c2)c1O	809721386	QVBPKWAVUDRKLY-UHFFFAOYSA-N	407.239	3.868	10	20	HHCD	
Cc1ncc2c(n1)CC[C@H](NC(=O)NCCc1cc(C)n(-c3ccccc3)c1C)C2	916220808	CBEPEUWJGRZJEY-NRFANRHFSA-N	403.530	3.592	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	916565415	CYEXVONXWITMGK-VGOFRKELSA-N	400.494	3.867	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1	918199730	AZJIBKXQTDEAGG-NRFANRHFSA-N	409.509	3.994	10	20	HHCD	
CCOC(=O)/C(=C\c1ccc(N2CCOCC2)cc1)c1nccn1Cc1ccccc1	920067814	CZHMQZLCFWTLND-NKFKGCMQSA-N	417.509	3.872	10	20	HHCD	
CCc1nc(CN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cs1	920279603	HIIZNEISQGSMMI-HUUCEWRRSA-N	420.554	3.800	10	20	HHCD	
CC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)c(F)c1	108003031	UQQAKBCQDGJQQO-UHFFFAOYSA-N	424.520	3.660	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)c(C)n1-c1ccccn1	110150215	IARQMQVEFFEELX-UHFFFAOYSA-N	420.494	3.937	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc([C@]4(C)NC(=O)NC4=O)c3)c2C)c1	72009842	IHBAPEPPPJSXNH-DEOSSOPVSA-N	416.481	3.709	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H](S(C)(=O)=O)CC3)c2C)cc1C	800456757	HBAHAYYIUGIFBK-NRFANRHFSA-N	416.587	3.793	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCc1cccc(Cl)c1	803466726	PGKMIHPVLMGIGW-UHFFFAOYSA-N	415.965	3.892	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ncc(I)s2)C2CC2)cc1	809545465	DCRXEYRJHFWKJO-UHFFFAOYSA-N	413.328	3.978	10	20	HHCD	
C[C@@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803679157	QAZJUNGFTPOTPP-SFHVURJKSA-N	408.546	3.686	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccccc3Oc3ccncc3)CC2)cc1F	801167047	RBXPQSXEMDQLEX-UHFFFAOYSA-N	407.445	3.984	10	20	HHCD	
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805134501	BCZSDBSTHMRBRL-UHFFFAOYSA-N	406.335	3.647	10	20	HHCD	
COC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)c[nH]1	815548017	KEYAZWCSNVLJFB-UHFFFAOYSA-N	407.470	3.723	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCc2nnc(S)n2C)cc1	818206513	QZNNBDIXKVQGBS-UHFFFAOYSA-N	423.546	3.948	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1F	726629678	PSIJTVRRMOSHGL-VIZOYTHASA-N	406.416	3.854	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	812273756	ITPSPCHINSWPHW-MRXNPFEDSA-N	407.436	3.625	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccccc3C)n2)s1	727247456	XEMMKMVVNNXTGJ-UHFFFAOYSA-N	407.542	3.617	10	20	HHCD	
C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2F)C1)c1ccc(N2CCOCC2)cc1	727478476	STULSYADBDPEKK-HTAPYJJXSA-N	413.493	3.506	10	20	HHCD	
Cc1ccccc1C(C)(C)CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	725869980	NUVQOWKEOXZQKE-UHFFFAOYSA-N	409.574	3.981	10	20	HHCD	
Cc1cc(CCNC(=O)C[C@H](C)NC(=O)c2ccccc2)c(C)n1-c1ccccc1	822093773	JTFGLVFKAPISIX-SFHVURJKSA-N	403.526	3.961	10	20	HHCD	
Cc1sc(=O)n(CCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1C	734317973	YOWVQLGOTREUDR-UHFFFAOYSA-N	413.543	3.805	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)Cc2ccon2)sc(C)c1-c1ccccc1	739930664	NWZQVKBDPBVKCI-UHFFFAOYSA-N	413.499	3.959	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)n2)cc1C	906372109	BRHABGZDXWMKAG-UHFFFAOYSA-N	415.496	3.673	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Br)cc3F)c2)CC1	739766112	NSIIFTUXSWRQMU-UHFFFAOYSA-N	420.282	3.542	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H](O)COCc1ccco1	731107016	MWZSEOUWWKGBKJ-LJQANCHMSA-N	416.518	3.635	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl	914505446	GFZKCPSMAINKAB-UHFFFAOYSA-N	408.951	3.860	10	20	HHCD	
Cc1cc(C)cc(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	916457788	MSJPZZUXFAUMHN-UHFFFAOYSA-N	422.447	3.854	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C2CC2)cc1	914484081	DJTYWDGORIZFOD-UHFFFAOYSA-N	406.935	3.614	10	20	HHCD	
COc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	919973096	JQMAXFFZXVGWOI-UHFFFAOYSA-N	419.499	3.623	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC)ccc2F)cc1F	742252743	NAZRSBRTZIJJQF-UHFFFAOYSA-N	410.486	3.535	10	20	HHCD	
Cc1cc(CC(=O)O[C@H](C)C(=O)Nc2ncccn2)c(C)n1-c1ccc(Cl)cc1	913271134	IILUUXRGJADLDR-OAHLLOKOSA-N	412.877	3.650	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)c(C)n1-c1ccccn1	742109501	QUNWRVAJMXYCGM-UHFFFAOYSA-N	417.557	3.954	10	20	HHCD	
Cc1cc2c(cc1C)O[C@H](C(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)C2	742556293	FYIHDPNJWWJONJ-QZMQVMSPSA-N	412.505	3.676	10	20	HHCD	
COc1ccccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1	918443258	BQCKKFVIMCWHGQ-UHFFFAOYSA-N	406.438	3.790	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccc(Br)cc1	749184300	FBTPPJDETJEQKK-FUHWJXTLSA-N	418.335	3.631	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCOc1ccc(F)c(Cl)c1	915560168	BOPAEKALKIUFLI-UHFFFAOYSA-N	422.884	3.516	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCc3nc([C@@H](C)OCC(C)C)no3)sc2n1	744575854	DRTPTNPARZDVQL-GFCCVEGCSA-N	404.492	3.969	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)cc1	742334015	CKMJFEPQMJSPBT-AWEZNQCLSA-N	416.877	3.889	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCN1Cc1ccc(F)cc1	747360333	UKDLWJQMWMJPCJ-QFIPXVFZSA-N	413.562	3.660	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cccc2nonc12	753919043	SSZLYCDZJZNGBM-UHFFFAOYSA-N	424.410	3.749	10	20	HHCD	
CCc1noc(CC)c1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755356205	FNRPGZXKAHIYLF-AWEZNQCLSA-N	407.461	3.729	10	20	HHCD	
CC(C)[C@@H](CN[C@@H](C)c1cc(Br)cc(Cl)c1O)N1CCN(C)CC1	756399488	QATAHWCHLYNULH-SUMWQHHRSA-N	418.807	3.731	10	20	HHCD	
C[C@H](N[C@H](C)CC[S@](C)=O)c1cc(Br)cc(Br)c1O	756741598	HAXMSCSDUCGQNE-MGOSUKFUSA-N	413.175	3.725	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1	756571469	FHZCGJOKCBWDFV-CABCVRRESA-N	416.493	3.691	10	20	HHCD	
CCOc1cccc(CNCCc2cn3cc(Br)cc(C)c3n2)c1O	757963048	GYMCYONAUAJAAZ-UHFFFAOYSA-N	404.308	3.842	10	20	HHCD	
COc1cc(CN2CC[C@H](N[C@H]3C[C@@H](C)c4c(F)ccc(O)c43)C2)cc(OC)c1	756648554	XZSKBLZJHQZTNF-IIMJZQEZSA-N	400.494	3.961	10	20	HHCD	
C[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccc(F)cc1O	756756917	AOYUVYFOPDRTMB-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)c(C)n1-c1ccccn1	758541473	GKADNDPWFVVVTI-QGZVFWFLSA-N	409.511	3.665	10	20	HHCD	
C[C@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(F)c1O	756457653	JHDZZXVYBSWEHV-AAEUAGOBSA-N	400.263	3.935	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)CC2)cc(OC)c1OC	759219904	GFBBGKSHEAXJLK-XLIONFOSSA-N	402.535	3.599	10	20	HHCD	
C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N(C)Cc1ccc(N2CCOCC2)cc1	862028573	DFLREQDGFSPFKF-HNNXBMFYSA-N	405.901	3.775	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C/c2ccc(F)cc2Br)SC1=S	767718323	SYMPRQWIVJOYHR-WDZFZDKYSA-N	404.282	3.654	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1c1ncnc2sccc12	764894433	IXUSSQKPKGKMEN-IBGZPJMESA-N	409.559	3.775	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(CO)c1	762934330	LMYHPNFKUJJBRU-LFIBNONCSA-N	418.565	3.861	10	20	HHCD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CCC2	765920729	MOZQWGLRNIJKKD-PMACEKPBSA-N	412.534	3.938	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)c(I)c2)c1	764322646	RYYICLSCKUNASQ-SECBINFHSA-N	415.202	3.636	10	20	HHCD	
CC(C)(C)c1nnc2ccc(C(=O)NCc3ccc(N4CCSCC4)cc3)cn12	769556737	RJMDDVJNDOEQLP-UHFFFAOYSA-N	409.559	3.510	10	20	HHCD	
O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)N(Cc1ccco1)Cc1ccccc1O	769243314	YRLMLCUNWBMFQF-UWJYYQICSA-N	402.516	3.752	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3cccc(-c4ccoc4)c3)CC2)cc1	760382135	MDDYXJQJECPRQS-UHFFFAOYSA-N	405.498	3.507	10	20	HHCD	
C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	769159436	BVZXTLCQZPMSMG-OAHLLOKOSA-N	415.538	3.882	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNc2ccn(CCN3CCOCC3)n2)cc1	763472997	OBOYDIQNPXTWFF-UHFFFAOYSA-N	419.573	3.854	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1F	764799221	IVVIJONTQLYFAZ-UHFFFAOYSA-N	410.493	3.568	10	20	HHCD	
CCCN(CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)Cc1ccccc1O	772799124	WYBRMHHCEDDUOR-UHFFFAOYSA-N	416.591	3.931	10	20	HHCD	
Cc1coc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc12	773210010	JFXCUKROCIZLRJ-SFHVURJKSA-N	408.454	3.593	10	20	HHCD	
CCn1c(/C(Cl)=C\c2ccc(F)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21	777468295	REPDFIOHWMMPAG-NTEUORMPSA-N	408.886	3.578	10	20	HHCD	
CN(Cc1ccccc1O)S(=O)(=O)Cc1ccc(Cl)cc1Br	778628371	XUVWYOLULWXJIT-UHFFFAOYSA-N	404.713	3.770	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3cccs3)C(CC)CC)nc12	775212278	NPJRJHDVJVUTSY-GOSISDBHSA-N	402.520	3.940	10	20	HHCD	
Fc1cc(CNc2nnc(Cc3ccc(Cl)cc3)o2)ccc1N1CCOCC1	777515072	OHDUZJUTLLCONT-UHFFFAOYSA-N	402.857	3.902	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1	776065213	ILWYDWJXNODIDF-AWEZNQCLSA-N	409.486	3.973	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1	778674977	SVJMYTWEXBONSB-REWPJTCUSA-N	404.558	3.773	10	20	HHCD	
C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl	772951587	UIWFUMUKOCGUEI-JTSKRJEESA-N	413.949	3.628	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773609550	AOJKMWARINQBKM-JZXOWHBKSA-N	404.555	3.758	10	20	HHCD	
O=C1NCCN(Cc2c(O)ccc3ccncc23)[C@@H]1c1ccccc1C(F)(F)F	781582491	UZOHKSUUBLMFSN-LJQANCHMSA-N	401.388	3.632	10	20	HHCD	
C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1	784514462	GYMFHYVBEWHDEH-ZACQAIPSSA-N	411.493	3.761	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1Br	784024417	OAHOAFDOFLOKER-UHFFFAOYSA-N	409.255	3.671	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	788955357	QFHDSGYXTBBGRT-DLBZAZTESA-N	413.484	3.634	10	20	HHCD	
CN1CCOc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc21	782897039	SSIPZKMHLDCYIF-UHFFFAOYSA-N	423.513	3.521	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(-c2cnn(C)c2)nn1	788790488	ROAWBYCCEAVNQX-UHFFFAOYSA-N	405.506	3.531	10	20	HHCD	
CCOC(=O)c1cn(CCNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cn1	798254998	RUACLNPIYOYCGV-UHFFFAOYSA-N	414.893	3.551	10	20	HHCD	
CS(=O)(=O)CC1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	793749721	UXPOQWAVBBCXJF-UHFFFAOYSA-N	412.349	3.565	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1	797444074	SSVCGQXUUSDJST-CYBMUJFWSA-N	415.342	3.870	10	20	HHCD	
COc1cc(N2CCN(Cc3ccnn3-c3ccccc3C)CC2)cc(OC)c1OC	793074445	HUCKYPJKMWPFCP-UHFFFAOYSA-N	422.529	3.529	10	20	HHCD	
Cc1oc2c(CN3C[C@@H](C)O[C@]4(CCOC4)C3)c(O)ccc2c(=O)c1-c1ccccc1	794705292	NXBZKDHTTKJIDX-PUAOIOHZSA-N	421.493	3.854	10	20	HHCD	
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	1319941666	MICWWNFIWAMPMG-MRXNPFEDSA-N	411.531	3.857	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCC(=O)N1CCN(c2ccccc2)CC1	1320133566	PZWLBPKEXQJCRR-TZIWHRDSSA-N	407.558	3.968	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1C1CCCC1	1323149145	HVXYURNSWKMLSV-IYBDPMFKSA-N	414.525	3.989	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)n3C)CC2)cc1F	1339595378	LSJLIFLTHHXEJX-UHFFFAOYSA-N	415.900	3.534	10	20	HHCD	
Cc1ccc(-c2nn(CN(C)Cc3ccc(N4CCOCC4)cc3)c(=S)[nH]2)cc1	7317513	IWQQWZDKESXCDR-UHFFFAOYSA-N	409.559	3.842	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)OCC(=O)N3CCc4sccc4C3)c2C)cc1	14300744	AECIDPPJWSRFJL-UHFFFAOYSA-N	424.522	3.906	10	20	HHCD	
COc1ccc(N2CCCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)cc1	108314458	VOJDAKCCQCFUII-UHFFFAOYSA-N	424.501	3.556	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)cc1	219016102	LSISMOWCTRJMAR-UHFFFAOYSA-N	401.463	3.857	10	20	HHCD	
CNC(=O)c1ccc(CN(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1	303221437	VHAMMUODCKCOQZ-UHFFFAOYSA-N	400.482	3.598	10	20	HHCD	
COc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1N1CCCCC1=O	543851827	AFLCVCAKRDIZFZ-UHFFFAOYSA-N	424.501	3.709	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1	682797739	IBOHPWDUICYNAU-UHFFFAOYSA-N	408.498	3.761	10	20	HHCD	
Cc1cccc(C)c1OC[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	726240806	ZWJDFTGMEDYAJV-VQTJNVASSA-N	411.546	3.968	10	20	HHCD	
COc1ccccc1C1(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	726244233	BQTHQOTZOMDLLU-GOSISDBHSA-N	409.530	3.624	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@@H]1Cc1ccccc1	726706970	WFNKZZJACQMXMF-OAQYLSRUSA-N	411.521	3.969	10	20	HHCD	
COCc1cccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1	727248311	ORHJGCIZPDENGI-UHFFFAOYSA-N	419.484	3.974	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C(C)(C)c3ccc(C)cc3)CC2)cc1	728514249	XWFFEPFVAHPYMV-UHFFFAOYSA-N	409.574	3.610	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3nccn3CC(F)(F)F)SC2=S)cc1	728696553	VZXDKOCWBRBQOC-LCYFTJDESA-N	412.462	3.917	10	20	HHCD	
CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N(CC)CC)cc2)C1	728750275	WFTGVYABFRDMHS-ICSRJNTNSA-N	402.583	3.759	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)n1cnc2ccccc21	729352408	POFBRCBHSBZDPQ-GHTZIAJQSA-N	406.530	3.871	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)CC1	731017053	SUVNFPWSSBXZFX-QFIPXVFZSA-N	405.542	3.588	10	20	HHCD	
COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)CC2	733854557	XSXWDWCUGTXCIC-IBGZPJMESA-N	420.469	3.842	10	20	HHCD	
O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCCCSc1nccs1	733880221	BUWFSQKXFYHRTG-CYBMUJFWSA-N	413.977	3.898	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1Cl	734060338	VVAQLHBECGPVDJ-UHFFFAOYSA-N	405.882	3.858	10	20	HHCD	
CN(C)CCOC1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	734274224	SPMXIWNPDQMEOJ-UHFFFAOYSA-N	416.610	3.708	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1	734467767	CJTOXJCDMWKWLW-UHFFFAOYSA-N	414.303	3.595	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3sccc3C)cc2)cc1	741645765	CFLJEHBBTKBYOD-UHFFFAOYSA-N	422.553	3.967	10	20	HHCD	
C[C@@H](OCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799056	SYZNMZDVYVFSJY-SJLPKXTDSA-N	404.457	3.978	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3ccc(OC4CCCC4)cc3)CC2)cc1	742920405	OVINIQLSDOBZQH-UHFFFAOYSA-N	423.557	3.569	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc2cccnc12	743045937	GUGPVNKNIMXCTQ-UHFFFAOYSA-N	411.464	3.888	10	20	HHCD	
C[C@@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)c1ccc(N2CCOCC2)cc1	746838902	KZUYIGPWQOWAEU-QGZVFWFLSA-N	417.550	3.538	10	20	HHCD	
COCCC(C)(C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	752355620	PULWWVOBZBXYAK-WYMLVPIESA-N	412.602	3.661	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)c1	753173725	ZRQOZLJREKXNDL-SFHVURJKSA-N	421.534	3.724	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3OC)CC2)cc1F	753859946	CEBNWRYVKDRCLI-CQSZACIVSA-N	421.900	3.646	10	20	HHCD	
C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1cc(F)ccc1N1CCC(O)CC1	756572878	JPRPUOVVRFIEFP-UONOGXRCSA-N	403.454	3.812	10	20	HHCD	
CCS(=O)(=O)N1CCC(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1	757707089	ZBXZADIBELEWEC-KRWDZBQOSA-N	411.587	3.528	10	20	HHCD	
CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	759187876	RVOYHVBLXFRFFW-OALUTQOASA-N	421.335	3.780	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1	759311823	ACBFUALWQQSOBB-IAGOWNOFSA-N	421.557	3.928	10	20	HHCD	
CCOC(=O)c1cc2cc(NC(=O)NCCc3ccc(O)c(O)c3)ccc2s1	761623813	PBAUKDMUVINQPW-UHFFFAOYSA-N	400.456	3.853	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Oc1ccc(F)cc1Br	763279514	MADQKODJCBGOEA-GHMZBOCLSA-N	412.255	3.514	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCO[C@@H](C2CC2)C1	765316365	QSBPKTDAYXXNEW-QFBILLFUSA-N	409.477	3.514	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)cc1	765656043	BRHLLJPMVSBQGP-UHFFFAOYSA-N	400.567	3.609	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NCCN2CCN(C(=O)C3CCCCC3)CC2)cc1	765954498	RGXUYNSRZMVPEY-HXUWFJFHSA-N	400.611	3.518	10	20	HHCD	
O=C1/C(=C/c2cnc(C3CCCC3)s2)SC(=S)N1CCCN1CCOCC1	767680730	SOQJCSNNIDVKLT-VBKFSLOCSA-N	423.629	3.724	10	20	HHCD	
Cc1nn(C)c(OCC(F)(F)F)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1	768161485	FRYVXCJXWHGIOM-INIZCTEOSA-N	413.440	3.556	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\SC(=S)N(Cc4cccs4)C3=O)cc2)CC1	771512944	ISGUBZAQOLIMIP-AQTBWJFISA-N	415.609	3.901	10	20	HHCD	
CCOc1ccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c([N+](=O)[O-])c1	771790266	ANCSMMQJXNQZIQ-UHFFFAOYSA-N	412.490	3.663	10	20	HHCD	
C[C@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cn(C)c2ccccc12	772852110	SZERRLQZOJDUSC-KRWDZBQOSA-N	407.514	3.550	10	20	HHCD	
C[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(N2CCOCC2)c(F)c1	773088147	NOWVBQQSSQDXMU-OALUTQOASA-N	412.553	3.934	10	20	HHCD	
COCCN(C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1	774015488	OCUFMQVRVZTYBC-IBGZPJMESA-N	416.503	3.769	10	20	HHCD	
CCCCCC[C@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	774707028	MPLGEWALGQKIIW-OKZBNKHCSA-N	421.557	3.531	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2Br)c(C)c(C)c1O	775291527	LMMULQWFBJAZFB-UHFFFAOYSA-N	414.277	3.579	10	20	HHCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCCS3(=O)=O)c(F)c2)c2c(O)ccc(F)c21	775582139	ULHOZEPEPXYSOG-WBMJQRKESA-N	408.470	3.548	10	20	HHCD	
COc1cc(O)c(CN[C@H]2CCN(c3ccccc3Br)C2)cc1OC	776177448	OBPQLZLYOBBNTI-AWEZNQCLSA-N	407.308	3.540	10	20	HHCD	
C[C@H](NC(=O)NCCNc1ccc(-c2ccccc2)nn1)c1ccc(N(C)C)cc1	776243476	CBXIMOZARYSGLG-KRWDZBQOSA-N	404.518	3.682	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3C3CCOCC3)cc2F)C[C@@H](C)O1	776897109	SJNUEOUGLRVETK-FVJLSDCUSA-N	419.541	3.540	10	20	HHCD	
COc1ccc([C@H](CO)N(C)C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	777829224	IZQMTZNKEOLYHC-QHCPKHFHSA-N	408.498	3.917	10	20	HHCD	
Cc1ccc2cccnc2c1S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	778003337	JOLZGMWPMFAKCL-IBGZPJMESA-N	412.511	3.619	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccncn2)c(C)n1-c1cccc(Br)c1	778453590	XWSMIJIZBYLYBQ-UHFFFAOYSA-N	414.259	3.686	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	780683086	ONRMSQUWYBABMF-SFHVURJKSA-N	404.555	3.684	10	20	HHCD	
COc1ccc(N(Cc2ccco2)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F	784192974	VRZFNNHPOUUNLB-INIZCTEOSA-N	416.405	3.782	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1Oc1cccc(F)c1	785298677	YHYDRMHROZSUPL-CQSZACIVSA-N	424.428	3.715	10	20	HHCD	
COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1	785544620	ZEOQYJRHGZZOJP-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2coc(C3CC3)n2)c(C)n1-c1ccc2c(c1)OCCO2	786173843	PEUYSURCVDHREC-UHFFFAOYSA-N	422.437	3.770	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN(C)Cc3ncnn3CC(F)F)c2C)c1	786215081	BOBPKIYRSNMYLK-UHFFFAOYSA-N	415.488	3.882	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1	787855647	PAQZBGHPOPZPCV-OAHLLOKOSA-N	419.472	3.580	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc2ccccc2nc1O	791251107	ZUZREIKZDJUVRS-UHFFFAOYSA-N	421.497	3.943	10	20	HHCD	
CO[C@@]1(C)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	793062301	RDHPZFPJUXONSP-IERDGZPVSA-N	411.493	3.857	10	20	HHCD	
CC[C@H](NCC(=O)Nc1ccc(I)cc1)c1ccc(C)cc1O	793575912	WMTQEVKTYOVFGQ-INIZCTEOSA-N	424.282	3.985	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(NC(N)=O)cc3)cc2Cl)C1	800343897	HMBQHVPDLFGRMB-CQSZACIVSA-N	400.910	3.997	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(F)F)cc1F	802610355	VSYXEMMBQNSCAT-UHFFFAOYSA-N	410.392	3.900	10	20	HHCD	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803687964	STBIEUNRUUVFJI-SFHVURJKSA-N	405.542	3.513	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3cc(F)c(N4CCOCC4)cc3F)ccc21	806739161	CDTKKOITMZEWBU-UHFFFAOYSA-N	416.472	3.506	10	20	HHCD	
O=C(CCCNC(=O)NC1CCCCC1)NCc1cc(Cl)cc(Cl)c1O	807839177	YHUNOUOMCWDDDE-UHFFFAOYSA-N	402.322	3.727	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)c1O	808712752	BCPWGBAYANKWTM-ZDUSSCGKSA-N	412.914	3.884	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3cccs3)CC2)cc1	869371514	UFZMIVTZBUCLKB-UHFFFAOYSA-N	421.522	3.971	10	20	HHCD	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	883954983	ZMVGYATYWTYFSK-XMMPIXPASA-N	405.542	3.609	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2COCCO2)c(C)n1-c1ccc(Cl)c(Cl)c1	915413122	MQDDXQJDGLKZSS-GOSISDBHSA-N	412.269	3.542	10	20	HHCD	
COc1ccc([C@H]2CCCN2Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)cc1	915836239	HFKZAYCYINSOOY-XMMPIXPASA-N	424.541	3.773	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1	916502904	ASHPQAMAEXAMKS-UHFFFAOYSA-N	418.541	3.899	10	20	HHCD	
CCCCc1nnc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	916669018	SHYNQKCQYQLBNT-OKILXGFUSA-N	421.542	3.955	10	20	HHCD	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C	917658163	SSFMZZFCUTVGPN-UHFFFAOYSA-N	405.520	3.877	10	20	HHCD	
O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918294892	MBQSVSYYDLTHAX-QGZVFWFLSA-N	422.403	3.557	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc2cnccc12	918309886	JUHWSPZWPVOSKK-UHFFFAOYSA-N	402.498	3.822	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccccc1C(F)(F)F	918439935	YQOPHTKBORQIDF-UHFFFAOYSA-N	423.460	3.514	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3nc(COc4cc(C)cc(C)c4)no3)CC2)cc1	1319613054	URAGMYGSBWSIQT-UHFFFAOYSA-N	422.529	3.986	10	20	HHCD	
Cn1cc([C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc2)cn1	1320206661	YHCNVRYZSSBZAM-GMAHTHKFSA-N	420.513	3.606	10	20	HHCD	
COc1ccc(N2CCN(c3ccc(C(=O)N4CCc5ccccc54)cn3)CC2)cc1	301100784	PDFZFONHHUXXFJ-UHFFFAOYSA-N	414.509	3.620	10	20	HHCD	
COc1cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)ccc1O	436772880	GVRAJAFOUURCCR-UHFFFAOYSA-N	407.451	3.642	10	20	HHCD	
CCn1cc(Br)cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	725891372	KSZNQCPUOZEJSG-AWEZNQCLSA-N	406.324	3.598	10	20	HHCD	
C[C@@H](NC(=O)NCCCCN(C)c1ccccc1)c1ccc(N2CCOCC2)cc1	726238504	XPAZFVPOPOTIPA-HXUWFJFHSA-N	410.562	3.800	10	20	HHCD	
COc1cccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1O	727762255	INNPMKWCSDBFBW-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
C[C@@H](C(=O)Nc1nccs1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	731036399	JTGKJGJZAGWFHD-AWEZNQCLSA-N	416.547	3.948	10	20	HHCD	
CNC(=O)c1ccc(CN(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731048608	NZGYWGIXXZEUJR-UHFFFAOYSA-N	408.546	3.624	10	20	HHCD	
O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2cc(O)cs2)CC1	732283725	ULRJRKFZGPDXSP-UHFFFAOYSA-N	409.305	3.707	10	20	HHCD	
CCOCc1cc(CNCCNC(=O)c2cccc(Br)c2)ccc1OC	733332444	YWYDABKQBTZNQM-UHFFFAOYSA-N	421.335	3.514	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cc(Cl)ccc3F)cc2F)C[C@@H](C)O1	735416784	HZBKEJCMGJTFFR-OKILXGFUSA-N	424.875	3.927	10	20	HHCD	
Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)CC2)nc1	735516051	GGGKOJAKSZASFX-NRFANRHFSA-N	409.530	3.520	10	20	HHCD	
COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	736195502	HTNWVZJDAXYGCZ-MNDPQUGUSA-N	408.542	3.709	10	20	HHCD	
COCc1ccc(CNC(=O)CN(Cc2ccco2)c2ccc(OC)c(F)c2)cc1	739926581	OZLSJEGGQCMLQW-UHFFFAOYSA-N	412.461	3.897	10	20	HHCD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	741099907	MGYXIMHWZQMUNV-UHFFFAOYSA-N	413.905	3.760	10	20	HHCD	
CC(=O)NC[C@H]1CCCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	742494403	SYTBWOAOQNOEGT-GOSISDBHSA-N	401.938	3.665	10	20	HHCD	
O=C(NCc1ccc2c(c1)CCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743578499	LSKCCTDAECYHFM-KRWDZBQOSA-N	417.456	3.691	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CNc2ccccc2[N+](=O)[O-])cc1	743853421	GSFPVBZQWBDHLE-UHFFFAOYSA-N	408.458	3.895	10	20	HHCD	
CCCCN(C)c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1	743955039	GAJNATNUZLMVHV-UHFFFAOYSA-N	409.530	3.762	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](c3nc(C)cs3)C3CC3)CC2)cc1	745864158	LBQDVYQLBXZFQA-LJQANCHMSA-N	400.548	3.833	10	20	HHCD	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C	746985466	PXOAJFHUJHLESS-KRWDZBQOSA-N	404.518	3.552	10	20	HHCD	
O=C(NCCOCc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	747508214	ZFFOZQMKBAJBHK-GOSISDBHSA-N	419.472	3.773	10	20	HHCD	
O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	748529905	FJHUXOOZJZSYPJ-FQEVSTJZSA-N	418.497	3.876	10	20	HHCD	
COC(=O)c1cc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)s1	749007349	FOXWXGFAKBWUBK-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cccc(CS(N)(=O)=O)c3)c2C)c1	749361574	AHOHOWNBJNJZFE-UHFFFAOYSA-N	411.527	3.752	10	20	HHCD	
CCOc1ccc(SCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	752809657	WEQNSIGGGSWPQF-UHFFFAOYSA-N	400.544	3.673	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754541656	PKNXQOSOOADUHF-UHFFFAOYSA-N	402.362	3.631	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnc(Cc2ccccc2)s1	755199787	GLBPFGZMOMPSAN-UHFFFAOYSA-N	411.502	3.640	10	20	HHCD	
Cc1cc(C(=O)NCC2CCS(=O)(=O)CC2)c(C)n1-c1ccc(C(C)C)cc1	756366831	HPXKREUEYQITCE-UHFFFAOYSA-N	402.560	3.772	10	20	HHCD	
C[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1cc(Br)cc(F)c1O	756398147	BZBKJIMTJARSMH-NSHDSACASA-N	411.271	3.842	10	20	HHCD	
C[C@H]1CCN(CCN[C@@H](C)c2cc(Br)cc(Br)c2O)C1	756630332	URMGQJFBXNAJLH-QWRGUYRKSA-N	406.162	3.910	10	20	HHCD	
CCN(CC)C(=O)COc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c1	756840272	KWVJFXQPHORUPA-HNNXBMFYSA-N	400.475	3.599	10	20	HHCD	
COc1ccc(C(=O)C2CCN(C(=O)NCCCSc3nccs3)CC2)cc1	759600360	DPKPZKAPOJQCEQ-UHFFFAOYSA-N	419.572	3.938	10	20	HHCD	
COCCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)cc1	760032771	XUDOLPDEWPFEEB-GFCCVEGCSA-N	418.342	3.970	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1	761631753	ZEXWLFJHYPRSCA-UHFFFAOYSA-N	423.444	3.531	10	20	HHCD	
COCCCOc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1	767382776	IGTMIMVDCXZMDX-UHFFFAOYSA-N	411.546	3.885	10	20	HHCD	
COCCN(Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(OC)c(OC)c1	767898086	DSHRVRJYXXOWNL-UHFFFAOYSA-N	423.391	3.824	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2cccc(Cl)c2)cc1	768869031	RFPDMVXRNYVSHI-ZHACJKMWSA-N	400.909	3.514	10	20	HHCD	
COc1cc(/C=C\C(=O)NCc2ccccc2O)ccc1OCc1c(C)noc1C	769362495	ZGAZCJMVPPJTEN-LUAWRHEFSA-N	408.454	3.914	10	20	HHCD	
COc1cccc(CNC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c1O	769507466	HUHFLPKQNPMAPU-UHFFFAOYSA-N	412.515	3.513	10	20	HHCD	
CCC(CC)n1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	770266331	SUYXAOJVJFQHSR-HOTGVXAUSA-N	402.514	3.927	10	20	HHCD	
CCSCc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1	771419585	XXWJFRIXMAEHON-OAHLLOKOSA-N	409.939	3.681	10	20	HHCD	
COC(=O)C[C@@]1(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CCCOC1	771657388	SWHPFZCLFXXSNI-NRFANRHFSA-N	404.894	3.590	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc2c(cnn2C(F)F)c1	772120911	AONWWIBYPXEVGD-UHFFFAOYSA-N	406.776	3.759	10	20	HHCD	
COC[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccc(F)c(F)c1	773788193	SLGJRTAZXLIWIQ-OAQYLSRUSA-N	419.472	3.583	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1)c1ccc(N(C)C)cc1	773844727	FTCJBUAZOANIOO-GOSISDBHSA-N	408.546	3.949	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1O	775028134	BUSODBULABNPOO-AWEZNQCLSA-N	423.416	3.669	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(OC)c(OC)cc1O	775642249	IPFFGJOWVNEPAV-UHFFFAOYSA-N	412.408	3.889	10	20	HHCD	
O=C1[C@@H](NCc2ccc(N3CCOCC3)cc2)CCN1c1ccc(Cl)c(Cl)c1	778112498	FEPPOEHPCLAAAH-FQEVSTJZSA-N	420.340	3.725	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCN(c2cccc(Br)c2)C1	779499162	LQBKMOVFTRSZJP-KEDPEKRHSA-N	417.303	3.516	10	20	HHCD	
C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H]1CCCOC1	780117327	HMAWAWPLWRJLBN-FWUQKTEZSA-N	424.613	3.661	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1	780313728	RULHYERHPSRAGH-NSHDSACASA-N	412.389	3.812	10	20	HHCD	
C[C@](O)(CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	780953553	GOUFKIUVXQFUKN-VGSWGCGISA-N	404.457	3.671	10	20	HHCD	
O=S(=O)(NC1CCCC1)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	781920709	KTAFUQGMJAXBKZ-JOCHJYFZSA-N	405.608	3.503	10	20	HHCD	
Cc1cccnc1C(F)(F)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	782677142	RMEJREWJQJSLHB-GJZGRUSLSA-N	407.436	3.551	10	20	HHCD	
COc1ccc([C@H](CCn2cncn2)NC2CCN(c3ccc(OC)cc3)CC2)cc1	783238105	QITCTCOFOMSARO-DEOSSOPVSA-N	421.545	3.685	10	20	HHCD	
Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1	784476075	CGBOPBIEVPROKJ-UHFFFAOYSA-N	404.514	3.833	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N(Cc2ccco2)c2ccccc2)cc1	784559063	ZQWQFCZHNRPBMP-UHFFFAOYSA-N	408.454	3.501	10	20	HHCD	
O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccc(O)c(O)c1	785440081	COQDNEXQMHKFBM-UHFFFAOYSA-N	400.390	3.748	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1-c1ccccc1	791611015	ILCXPVCKGQRPBL-INIZCTEOSA-N	412.440	3.873	10	20	HHCD	
O=C(NC[C@H]1CCC(F)(F)C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	797444738	INKGWWLRMZXRBQ-ZDUSSCGKSA-N	403.420	3.991	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCn2c(Br)cnc2C1	801239729	TYHRXDZZGYSKIB-UHFFFAOYSA-N	405.321	3.771	10	20	HHCD	
CC(C)c1noc(Cc2ccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)n1	801941975	DMPJVIJGOZEDKN-CQSZACIVSA-N	410.474	3.948	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc(OC2CCCCC2)cc1	804110047	HJTCHCJNUQAPQO-UHFFFAOYSA-N	423.557	3.705	10	20	HHCD	
COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1	804353848	DFWVWPYRBGUQBU-UHFFFAOYSA-N	412.511	3.900	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc(OC(F)F)c(F)c1	805135218	QMTQBTIMERLCBE-UHFFFAOYSA-N	416.204	3.918	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@H]1CCC(=O)N1C	806503009	WLHBEMVLDGFXFC-IEBWSBKVSA-N	419.447	3.919	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)CCCOc1cccc(Cl)c1)c1ccc(N(C)C)cc1	807677031	KTHUHUYRAWKMNY-MRXNPFEDSA-N	417.937	3.511	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccnc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1	808281287	CRGIKIWZNLUTFZ-BETUJISGSA-N	411.399	3.783	10	20	HHCD	
CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1	808528712	MQRQZFKOTRLUOU-UHFFFAOYSA-N	419.528	3.913	10	20	HHCD	
O=C(Nc1ccn2ccnc2c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	810229506	FUIZLIGKGPNEJS-HNNXBMFYSA-N	401.417	3.726	10	20	HHCD	
CCOCc1nc([C@@H](C)NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)no1	811996054	ZGMINGSRDIFLOM-MRXNPFEDSA-N	411.506	3.617	10	20	HHCD	
C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)S(=O)(=O)c1ccc(F)cc1	813683463	PUMPLYNWKYJMIL-JTQLQIEISA-N	420.289	3.707	10	20	HHCD	
CN(C)CCN(C)c1ccc(Br)cc1NCc1cc([N+](=O)[O-])ccc1O	864015617	ANXWJDMDHQTBAD-UHFFFAOYSA-N	423.311	3.673	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1	914455817	AWHAYHKKWNPJPU-QFIPXVFZSA-N	404.466	3.656	10	20	HHCD	
O=C(NC[C@@H]1CCN(c2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	916579369	AQSYSWZGRNUEMO-SIKLNZKXSA-N	409.530	3.609	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3nc(C(F)(F)F)[nH]c4ncnc3-4)cc2F)C[C@@H](C)O1	917086484	KUOXFHUICGPWOX-GHMZBOCLSA-N	424.402	3.688	10	20	HHCD	
Cn1nc(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	917380592	GLJSHYDKWADWCC-UHFFFAOYSA-N	424.467	3.503	10	20	HHCD	
Cc1cc(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)c(O)c(C(C)(C)C)c1	919951431	ICINFDKQWWNHGY-UHFFFAOYSA-N	416.587	3.895	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C(=O)O)c(Cl)c1	926493116	TXMKQRFIRBSZGL-UHFFFAOYSA-N	422.934	3.849	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Cn3ccnc3[C@H](O)c3cccnc3)c2C)c1	1347320376	PNBFTWVANFLZPM-HSZRJFAPSA-N	400.482	3.959	10	20	HHCD	
CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1	1787701201	QMUWSXKHCBZWJF-WUXMJOGZSA-N	410.470	3.751	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CCCO2)C3)cc1	1800513824	WXINEOLALODZCF-CWKRKGSWSA-N	421.541	3.525	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CSC[C@@H]3C(=O)NC(C)(C)C)c2C)cc1	303149071	FSJZTWYKBRUJKP-LJQANCHMSA-N	415.559	3.533	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Br	327341199	CMDQVBCPUUIVTO-UHFFFAOYSA-N	407.283	3.663	10	20	HHCD	
COc1ccc(CCCN(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	140989280	STLBLYRKKCRGHI-LJQANCHMSA-N	411.546	3.867	10	20	HHCD	
CC(C)(C)c1ccc(C(=O)NCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	248196692	QHNLXZAASVQWGV-NRFANRHFSA-N	424.541	3.627	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1	608250293	HPDZBOVGBMLEBX-UHFFFAOYSA-N	407.348	3.657	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)n(C)c2ccccc12	472801969	FJDISEJXOZZOLI-UHFFFAOYSA-N	405.498	3.970	10	20	HHCD	
COc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C)cc1Br	809863190	KAWIJSDPFDXCKT-UHFFFAOYSA-N	403.280	3.595	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)c(C)n1-c1ccc(Cl)cc1	804437944	JWWNFTQADZTRPT-FOIQADDNSA-N	401.938	3.683	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	472799364	ZZBVUHZQUFCSAJ-UHFFFAOYSA-N	415.497	3.544	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1	802610792	RJRXINXYYLADJZ-UHFFFAOYSA-N	408.458	3.518	10	20	HHCD	
CC[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)S1(=O)=O	805772230	HGBBMKDMURMBEB-OXQOHEQNSA-N	414.531	3.938	10	20	HHCD	
CN(C)CCOc1ccccc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O	805024642	KSXAKGNIALLILI-UHFFFAOYSA-N	412.317	3.639	10	20	HHCD	
CNC(=O)C1(C(=O)N[C@@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)CC1	729967523	TUKNEDHXHGZLTD-QGZVFWFLSA-N	419.447	3.824	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1	728943301	LGUMRYGFXZKREI-SPLOXXLWSA-N	400.475	3.930	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(CCc3cccnc3)C1=O)O[C@@H](C)C2	727864402	VKROEQDXPIWHDG-JFENUBAZSA-N	412.536	3.858	10	20	HHCD	
O=C(CCCCCc1ccc(O)cc1)NCc1ccc(N2CCOCC2)c(F)c1	729523078	GERGMLGXWYLJPL-UHFFFAOYSA-N	400.494	3.787	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)N[C@@H](C)c3cc(OC)ccc3O)cc2)n1	728953827	CTOLMIMADAJXKH-AWEZNQCLSA-N	410.474	3.616	10	20	HHCD	
CC(C)N(CCC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)OC(C)(C)C	727137670	WFOKKQFGKXLGAK-UHFFFAOYSA-N	421.607	3.892	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)N1CCO[C@@H](c2ccc(F)cc2)C1	732202073	GZDXVALQZBHLND-HSZRJFAPSA-N	424.472	3.727	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1	734018414	PZKMAUQEDJTJKR-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
C[C@H](NC(=O)NCCc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1	733346214	SQTJZBLMOYCELQ-HNNXBMFYSA-N	405.901	3.919	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1F	731347076	MEISWKHMHBFLAQ-UHFFFAOYSA-N	412.914	3.659	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3nc(-c4ccccc4)oc3C)cc2F)CC1	730192931	RGOIWHKHEFCCMP-UHFFFAOYSA-N	422.504	3.861	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)CC1	731048731	DQUMQMZURVUACH-UHFFFAOYSA-N	411.506	3.742	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1	734547204	KYEMSSTVBXHWGO-FXAWDEMLSA-N	420.431	3.979	10	20	HHCD	
Cc1cccc(OC(F)F)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	731754477	KCYJACCPKBCMFZ-UHFFFAOYSA-N	409.408	3.894	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1NS(=O)(=O)C(F)(F)F	732758970	VDTYGEQNSDDZKV-UHFFFAOYSA-N	413.421	3.801	10	20	HHCD	
COCCOCc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	916688187	OGJHKJCADNSFLA-NRFANRHFSA-N	414.502	3.768	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](CS(C)(=O)=O)c3ccccc3)c2C)c1	748067868	MBCPWEHPNVGJHP-QFIPXVFZSA-N	410.539	3.918	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C3CC3)[C@H](C)CS(C)(=O)=O)c2C)c1	749389943	JVBPYZKMOSDBHM-QGZVFWFLSA-N	402.560	3.749	10	20	HHCD	
CCCOc1ccccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	918293878	GWHDWOHKWKQLCU-UHFFFAOYSA-N	408.454	3.942	10	20	HHCD	
CCO[C@@H](CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(C)C	746415627	ROEJEVYXZQZYRK-FVJLSDCUSA-N	409.546	3.690	10	20	HHCD	
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	743064739	OQGNACZZQUKLDH-QGZVFWFLSA-N	420.517	3.919	10	20	HHCD	
CN(Cc1cccc(O)c1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	918213998	OWSUWSRDOLYYEZ-UHFFFAOYSA-N	423.435	3.589	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1cccc(C(F)(F)F)c1	917913486	FKSCETMTKWEPSD-UHFFFAOYSA-N	416.490	3.737	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	743339765	YDBFYMJNPJZITI-RBUKOAKNSA-N	418.534	3.689	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccccc1N1CCCCCC1	749730833	WVPZKWORXTUYSZ-UHFFFAOYSA-N	418.588	3.761	10	20	HHCD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cc2C[C@H]1C	917897706	HNOLBDOAHOOTTQ-LLVKDONJSA-N	403.485	3.501	10	20	HHCD	
CCOc1ccc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)[nH]c2c1	919970985	BLXKVSRHSPGBBN-UHFFFAOYSA-N	411.477	3.597	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C2CC2)cc1	741418223	YJDYEMWXQVRBTG-UHFFFAOYSA-N	408.481	3.551	10	20	HHCD	
CSc1ccc(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	747458363	RCSAFHVADSHKJK-HUUCEWRRSA-N	424.563	3.640	10	20	HHCD	
COc1ccc(N2CCC(Nc3ncccc3I)CC2)cc1	740868995	XYCOBRWLJVNPKV-UHFFFAOYSA-N	409.271	3.776	10	20	HHCD	
CC(C)c1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)no1	743220925	PJCGAEMAUVVUQK-UHFFFAOYSA-N	412.412	3.975	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)n1	743705785	VSJYDRKNJQERJL-ZDUSSCGKSA-N	413.453	3.511	10	20	HHCD	
CCN(Cc1cc(=O)n2c(C)csc2n1)Cc1cc(Br)ccc1O	744425147	CAKBTFXZYQYQTH-UHFFFAOYSA-N	408.321	3.555	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@H]1NC(=O)OC(C)(C)C	741081930	AQCSAZVRUODRDF-VQIMIIECSA-N	416.566	3.514	10	20	HHCD	
O=C(NCCOc1ccccc1Cl)NCc1ccc(N2CCSCC2)cc1	752148474	HSZJIGLCINLTED-UHFFFAOYSA-N	405.951	3.771	10	20	HHCD	
O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1	751355989	KECIYPQGYTVCIF-UHFFFAOYSA-N	414.527	3.653	10	20	HHCD	
CCC[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccnc1	756447631	XFZCNKVOMSOMFX-JOCHJYFZSA-N	420.536	3.968	10	20	HHCD	
Cc1cc(C(=O)N(CCS(C)(=O)=O)C2CC2)c(C)n1-c1cccc(C(C)C)c1	753746937	BTTHJOASKBGZNG-UHFFFAOYSA-N	402.560	3.867	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@@H](c3ccc(F)cc3)C2)c1	755923902	MDBLXCABFHDXMV-LJQANCHMSA-N	412.505	3.556	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	759676024	OPFLRPLVCUVDAS-GCJKJVERSA-N	412.530	3.970	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@H](O)c1ccc(OC(F)(F)F)cc1	759589343	HKAGSZNAFVEKEZ-ZDUSSCGKSA-N	421.466	3.557	10	20	HHCD	
Cc1cc(C(=O)N2CCCC3(C2)OCCO3)c(C)n1-c1ccccc1Br	759646080	LJEJRRBNBRTTBL-UHFFFAOYSA-N	419.319	3.836	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCCc3nnc(-c4ccccc4)o3)CC2)cc1F	753738386	IUIMQDOSGWFEOB-UHFFFAOYSA-N	424.476	3.556	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(-c3csnn3)cc2)cc1	920187285	AXLKWNGQVQOFQQ-UHFFFAOYSA-N	423.542	3.648	10	20	HHCD	
C[C@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1cc(F)cc(F)c1O	756644193	ZIBUUFKUUTXBTG-LBPRGKRZSA-N	403.454	3.908	10	20	HHCD	
Cc1nc(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)sc1C	751930224	BPFWIDRMIFSORH-NSHDSACASA-N	416.528	3.573	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)NCCCSc3nccs3)n2)c1	759585192	PWDWHJVHXXGSSV-LBPRGKRZSA-N	419.532	3.744	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	769450105	AAAGWZVTNQWUKS-INIZCTEOSA-N	419.865	3.874	10	20	HHCD	
CC[C@H](C)n1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C1CC1	763121194	ZAKVWTBDYQLSMF-INIZCTEOSA-N	423.561	3.927	10	20	HHCD	
COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	769526860	NGQROGSJUOYQBP-HNNXBMFYSA-N	418.755	3.717	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C12CCC(C(=O)OC)(CC1)C2	760440673	NBVXZFHZQROXEV-UHFFFAOYSA-N	410.308	3.627	10	20	HHCD	
CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	767900967	QOGKBRMBLXXXHX-CQSZACIVSA-N	401.894	3.626	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(C(=O)O)cc(Cl)c2Cl)cc1	761243251	XRCSXIXOSYPXIC-UHFFFAOYSA-N	417.314	3.578	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)c1	1117453778	ROKZHBANPRMXHX-PKOBYXMFSA-N	401.938	3.683	10	20	HHCD	
CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1	767934502	VYHAFTFHJPFYIS-UHFFFAOYSA-N	423.561	3.999	10	20	HHCD	
COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nccn1C	773621439	YVOCDGJJNAVSTI-KKSFZXQISA-N	407.518	3.645	10	20	HHCD	
CSc1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1C	775141133	POEPISNAEKVHGS-UHFFFAOYSA-N	415.584	3.525	10	20	HHCD	
COc1cc(O)c(CN2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)cc1OC	779611328	GPGSXIJMRVRSBJ-HXUWFJFHSA-N	423.513	3.785	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC2CCCC2)c1	778609362	NKYHIKRFXZXEQP-UHFFFAOYSA-N	418.877	3.631	10	20	HHCD	
C[C@H](NC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1)c1ccc(N(C)C)cc1	775433027	SGRGHNMJCMUUDP-OAGGEKHMSA-N	417.579	3.701	10	20	HHCD	
C[C@@H](O)c1cn(C2CN(C(=O)c3ccccc3N=Nc3ccc(N(C)C)cc3)C2)nn1	779565748	FXBCAFKGGNIDLU-OAHLLOKOSA-N	419.489	3.510	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	782625903	ZZYHVYSAAGXMQX-PONJGIIJSA-N	404.457	3.581	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC(CNC(=O)OCc3ccccc3)CC2)c1O	786109672	SRPWDWPZFFADQM-UHFFFAOYSA-N	414.477	3.872	10	20	HHCD	
CCOC(=O)[C@@](C)(CNC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccccc1	787531739	GXKQXEYVMGXKCN-DEOSSOPVSA-N	405.498	3.740	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(N2CCOCC2)c(F)c1	785568901	RMZKOQYZFPTYCW-LAUBAEHRSA-N	403.542	3.637	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cn1	781646673	MPYWWFNRWRVLGN-UHFFFAOYSA-N	405.501	3.722	10	20	HHCD	
CCOc1cc(Cl)ccc1C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1	781271486	XXTKTPHUZAHTHO-UHFFFAOYSA-N	401.894	3.660	10	20	HHCD	
Cc1cc([C@H](C)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n(C)n1	793547766	NBJPVKYMRQJROE-LPHOPBHVSA-N	401.555	3.711	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2nccnc2cc1F	792238651	UYWRMKHEKULIQM-OAHLLOKOSA-N	414.868	3.522	10	20	HHCD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	796744125	LJSFXHSKOTYASD-RDJZCZTQSA-N	418.440	3.653	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(OC)c(OC)c3)CC2)cc1	1337500623	NNMNXQOSDIMOBJ-GOSISDBHSA-N	412.530	3.630	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c1	1251976186	LAVIVIOANYLZRJ-SFHVURJKSA-N	415.965	3.978	10	20	HHCD	
Cc1ccccc1OCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	1337685672	FGWNTCAUNGMMTD-QZTJIDSGSA-N	400.494	3.833	10	20	HHCD	
Cc1nc(CS(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)c(C)s1	1340988389	ZUYIRQGIRCUBOK-UHFFFAOYSA-N	402.541	3.965	10	20	HHCD	
CCOC(=O)Cn1ccc2cc(NC(=O)N3CCOc4cc(N(C)C)ccc43)ccc21	1342148682	YGASDIHXZJMACP-UHFFFAOYSA-N	422.485	3.701	10	20	HHCD	
Cc1cc(CC(=O)NC[C@H](CO)CC2CCOCC2)c(C)n1-c1ccc(Cl)cc1	1343814589	LIAGHYVYIOZIJN-LJQANCHMSA-N	418.965	3.831	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc(-c2cccs2)n1	16134895	OKUYPXJTEYJFCZ-UHFFFAOYSA-N	413.568	3.909	10	20	HHCD	
C[C@@H](NC(=O)NCc1ncc(-c2ccccc2)o1)c1ccc(N2CCOCC2)cc1	140954639	SBTGBSJOXGOWBP-QGZVFWFLSA-N	406.486	3.739	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCOCC2)cc1	140956239	MCAGGXQPHULEDD-IBGZPJMESA-N	408.546	3.684	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCCC3)c2)cc1	144921554	VSWVIBVQHFTHFJ-UHFFFAOYSA-N	408.546	3.778	10	20	HHCD	
COc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1OC	261390710	PGMGLLHURQFKQD-UHFFFAOYSA-N	410.436	3.903	10	20	HHCD	
Cc1nc2ccccc2n1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	302692304	APWATVBCQHFJAL-OAQYLSRUSA-N	406.530	3.619	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccc(C)s3)cc2F)CC1	303341276	WDDRLMCPHLVQSV-UHFFFAOYSA-N	404.555	3.679	10	20	HHCD	
Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1	327114108	HEQWWFYKLJLIMJ-UHFFFAOYSA-N	403.320	3.866	10	20	HHCD	
COCCn1ccc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1	725754542	FTYATBDRCPZPIJ-UHFFFAOYSA-N	417.307	3.952	10	20	HHCD	
O=C(NC1CC1)[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	726604655	ZSWBMGORYYUJAH-NRFANRHFSA-N	415.484	3.866	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c(O)c1O	727004323	SKMLNVXKAUCGDT-HXUWFJFHSA-N	423.490	3.799	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nc1C	728836870	GWQFOYONWTUJAB-UHFFFAOYSA-N	423.435	3.837	10	20	HHCD	
CC(=O)N1CCC(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	729498361	IVHKAGLHZNAKLC-UHFFFAOYSA-N	400.567	3.513	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c1	729535393	QHQDJXPVRDKXBH-SNVBAGLBSA-N	402.344	3.566	10	20	HHCD	
COc1ccc(Cn2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2)cc1	731575591	VLBMAQYMFXTRAY-UHFFFAOYSA-N	404.514	3.811	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)NCCc1cnn(-c2ccccc2)c1	732204873	VLUYBMGQLBBWJJ-UHFFFAOYSA-N	418.541	3.681	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1	734005326	JKKSGAVAQMWFTF-LJQANCHMSA-N	420.479	3.845	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(Cl)c(I)c2)c1	734016921	ORSGKPSGQXPQPN-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCN([C@@H]4CCCN(C)C4)CC3)c2C)c1	734486483	AKIPHMHBXNAGTG-HSZRJFAPSA-N	422.617	3.605	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1	734687817	VEFJLQDOIJJZHL-LJQANCHMSA-N	404.555	3.602	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1	743213035	SSNFUBQEAKOENF-UHFFFAOYSA-N	417.531	3.525	10	20	HHCD	
COCCCN1CCC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1	745798976	DOYYBCGNJVRPND-UHFFFAOYSA-N	403.567	3.737	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccccc3I)ccc21	746812775	MFICSXOMSNPQFN-UHFFFAOYSA-N	406.267	3.604	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(OC(F)F)c(Cl)c3)ccc21	747016919	HYFPUTZOUITNGY-UHFFFAOYSA-N	423.847	3.579	10	20	HHCD	
Cc1cc(COc2ccc(C(=O)NCc3ccccc3O)cc2Br)no1	748346530	KLMJREPZUPEQSD-UHFFFAOYSA-N	417.259	3.960	10	20	HHCD	
Cc1cc(C(=O)CN2CCN([C@H](C)C(F)(F)F)CC2)c(C)n1-c1cccc(F)c1	749847338	LNQVNWIHHVWXCD-MRXNPFEDSA-N	411.443	3.984	10	20	HHCD	
COc1ccc(C(=O)CCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	752151958	PXTGIRZTADFIKQ-NRFANRHFSA-N	411.498	3.962	10	20	HHCD	
COc1ccc2cccc(CC(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)c2c1	754064828	RRHDDEWMBXNXDV-UHFFFAOYSA-N	408.473	3.887	10	20	HHCD	
C[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)NC(=O)C1CCCCC1	754541216	FQBNQWWFYHWLLG-HNNXBMFYSA-N	418.493	3.876	10	20	HHCD	
O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(N2CCCC2)cc1	755163123	PCPJFDCZOKIBOZ-UHFFFAOYSA-N	418.291	3.816	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)C2CC2)CC1)c1cc(Br)cc(Cl)c1O	756398108	BQRPTTRISAKYLW-SNVBAGLBSA-N	401.732	3.860	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)c1cc(Br)c(F)cc1O	756400010	STJHEGJHTDSXIL-LLVKDONJSA-N	411.271	3.842	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3cc(Cl)cn3C)cc2F)C[C@H](C)O1	757633461	AFOCYZQTPAMPAW-GJZGRUSLSA-N	422.932	3.773	10	20	HHCD	
COc1ccccc1C1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCC1	760175421	QMGIRGTUTOUHOP-UHFFFAOYSA-N	423.557	3.795	10	20	HHCD	
COc1cc(Cl)cc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1O	761191838	XONMQEZGUQEEFQ-UHFFFAOYSA-N	406.885	3.722	10	20	HHCD	
COc1cc(Cl)cc(CN(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1O	761192569	SALWFNRGNRSYRP-OAHLLOKOSA-N	419.827	3.945	10	20	HHCD	
CCOCCCN1CC[C@H](NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[C@H](C)C1	765125460	FJTOUJWRDDWZDI-NVJIOZQYSA-N	421.601	3.666	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCC(O)(C(F)(F)F)CC3)cc2F)C[C@@H](C)O1	765125493	GDABEHKAPZHPEE-CIVGIRDPSA-N	404.448	3.765	10	20	HHCD	
CC(C)NC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1	765251589	IROVURKDTLEBMZ-UHFFFAOYSA-N	406.280	3.615	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1OC(F)F	765251731	HNINPOZZGOSBHM-WBVHZDCISA-N	403.473	3.841	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	765595172	GGVJDDOVYWZFHU-LMHXZZLNSA-N	400.538	3.820	10	20	HHCD	
C[C@@H](NC(=O)NC1CC(OCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	766086319	DLMITJWUHZWQQU-FBHNJWQJSA-N	409.530	3.631	10	20	HHCD	
Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	766247814	IUSRNTCKGVSBIP-UHFFFAOYSA-N	421.497	3.836	10	20	HHCD	
CCc1cccc(CC)c1NC(=S)NNc1c(OC)cccc1S(C)(=O)=O	767421973	DFSFPSUAJFNKBD-UHFFFAOYSA-N	407.561	3.537	10	20	HHCD	
COc1cc(Br)cc(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)c1O	768426093	ZERUAWZWKLXQKK-UHFFFAOYSA-N	419.319	3.688	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	769395458	HTXUILOJDYMHLC-ROUUACIJSA-N	409.958	3.609	10	20	HHCD	
CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769914750	WTDCOKQTQFPQKI-GOSISDBHSA-N	404.532	3.556	10	20	HHCD	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCc2ncccc21	770672498	MLWVCJBYBFKZCI-FOWTUZBSSA-N	415.565	3.714	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCC2CCN(c3ccncc3)CC2)C2CC2)cc1	772612909	QATRNFHMFKMDTE-UHFFFAOYSA-N	407.562	3.738	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(N(C)C)cc1	773609492	ABDJFAKJICKNSY-GAJHUEQPSA-N	416.566	3.856	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1	773767766	OJOKYLUYAAGSBO-HNNXBMFYSA-N	406.523	3.572	10	20	HHCD	
O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@@H]1c1cccc(Br)c1	775727391	DOOAGDSQPIUSLC-OAHLLOKOSA-N	413.674	3.620	10	20	HHCD	
COCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1	778660743	GMRJTQYVFLVORH-UHFFFAOYSA-N	402.497	3.692	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNCc3ccc(Oc4ccccc4)o3)cc2)CC1	779978729	RMMBWADVPDCSJX-UHFFFAOYSA-N	412.511	3.597	10	20	HHCD	
COCC[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccco1	780049127	SHJWTYCPFKRLLM-GOSISDBHSA-N	423.460	3.927	10	20	HHCD	
Cc1cc(-c2ncccc2NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cs1	782516352	GNNBIVLHNRZXIA-UHFFFAOYSA-N	412.490	3.579	10	20	HHCD	
COC(=O)c1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1C	784107886	WFEPDZBSJHIYMX-UHFFFAOYSA-N	409.486	3.526	10	20	HHCD	
O=C(NCC1(c2ccccc2)CC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	785864613	PDXUKDUWRPCKPL-UHFFFAOYSA-N	406.526	3.902	10	20	HHCD	
COCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CC[C@@H](C)C1	790220524	XUEWCWSPGIDCCA-FTEYMNFISA-N	421.557	3.786	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2Cl)SC1=S	790587084	PLUMLKSLPWMXGE-ZROIWOOFSA-N	421.931	3.651	10	20	HHCD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	792591561	MCWLIPAVFBYNAV-NRSPTQNISA-N	419.569	3.994	10	20	HHCD	
Cc1c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2F)cnn1C	794043230	SHMFNYJPUZKFDL-UHFFFAOYSA-N	407.854	3.553	10	20	HHCD	
CC[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1O	797035396	CHGCQJZVWSGIKT-AWEZNQCLSA-N	403.331	3.718	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](CO)Cc2ccncc2Cl)c(C)n1-c1ccc(F)cc1	798256143	KEBFJYPDRBABCM-MRXNPFEDSA-N	415.896	3.863	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H]3CCC[C@H](c4cccnc4)C3)CC2)cc1	800218276	NQPNNLVNQZUNTF-JTHBVZDNSA-N	408.590	3.918	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(-c4ccc(Cl)cc4F)n3C)CC2)cc1F	800771049	DYQVYGFNMLHXRV-UHFFFAOYSA-N	419.863	3.749	10	20	HHCD	
FCCC[C@@H]1CCC[C@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	800968746	UZCPIZNIRGRHOH-PZJWPPBQSA-N	415.532	3.950	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	801549631	UEQYCAQACLQSSC-UHFFFAOYSA-N	419.865	3.513	10	20	HHCD	
CCCCC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C	803299888	BRSVQSGHBDGXOJ-WIYYLYMNSA-N	417.594	3.812	10	20	HHCD	
COC(=O)[C@@](C)(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1	805328048	REEJZNKZSZDZGT-IBGZPJMESA-N	411.285	3.629	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(F)c3Cl)CC2)cc1	806771231	BCBPPELWIVGWDZ-UHFFFAOYSA-N	420.916	3.822	10	20	HHCD	
CCOC(=O)c1sc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)nc1C	806925236	NMTNBABBGHVKBK-UHFFFAOYSA-N	418.302	3.640	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(C)c1-c1ccccc1	807078156	HFAWCXVQRKSQHP-UHFFFAOYSA-N	406.486	3.560	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1	808094329	KISCDHFJALUBSH-UHFFFAOYSA-N	408.516	3.524	10	20	HHCD	
Cc1ccccc1-n1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nn1	808382396	YFKWAKJDYOVQGM-ROUUACIJSA-N	409.509	3.618	10	20	HHCD	
O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2cc(Br)ccc2O)C1	808422123	FRHJNIJCYZJSCV-CYBMUJFWSA-N	409.246	3.578	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCC2(Cc3ccc(F)cc3)CC2)C2CC2)cc1	809435696	KTWQPPXSWRVELP-UHFFFAOYSA-N	423.532	3.522	10	20	HHCD	
CC[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1O	810212730	WRGWXPCEEWXTJU-GOSISDBHSA-N	408.468	3.799	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)ccc1-c1ccncc1	815519343	UDGILVJXDPKBKG-UHFFFAOYSA-N	412.493	3.688	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccn(-c3ccc(Br)cc3)n2)c1	815835152	LFABDJIWPQJHMM-GFCCVEGCSA-N	416.275	3.840	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cn2ccc(C)cc2n1	819519291	RVOSJRPOAJFKPG-UHFFFAOYSA-N	408.502	3.645	10	20	HHCD	
Cc1ccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1F	823904580	INSJVKXIGYXDKR-UHFFFAOYSA-N	418.380	3.748	10	20	HHCD	
CC(C)Nc1ncccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472366	LINCDJRVGMRKPN-KRWDZBQOSA-N	402.926	3.655	10	20	HHCD	
CCN1C[C@H](CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)Oc2ccccc21	916587713	YXSNJVRIRCAJDG-NRFANRHFSA-N	408.546	3.716	10	20	HHCD	
COc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(OC)c1OC	916667611	OSDONNSCONIMNZ-KRWDZBQOSA-N	416.474	3.631	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)n2)s1	917859507	RIXMRUYWVWDMDO-UHFFFAOYSA-N	406.510	3.905	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)C2CC2)cc1	918456479	QQPJSDLAEINNPH-UHFFFAOYSA-N	405.420	3.901	10	20	HHCD	
CC(C)n1ncc2c1[C@@H](NC(=O)NCc1cccc(Br)c1O)CCC2	1255867034	DBYILZANTDANJS-HNNXBMFYSA-N	407.312	3.809	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21	1324563543	JSYBIOOXZHYATA-IEZWGBDMSA-N	411.498	3.678	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc4nnc(-c5ccsc5)n4n3)CC2)cc1	302360428	ZUOSSQCTQKNQBX-UHFFFAOYSA-N	406.515	3.942	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3ccncc3N3CCCC3)no2)cc1)C1=S=CC=C1	545818946	SOWMGYXYRCJKLA-UHFFFAOYSA-N	417.494	3.615	10	20	HHCD	
Cc1ccc(C(=O)O[C@H](C(=O)N2CCSc3ccccc32)C(C)C)c(O)c1O	727003940	IXGAAMGCHIPMEX-IBGZPJMESA-N	401.484	3.727	10	20	HHCD	
O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1c1ccc(Cl)nc1	727177521	LOXWRIPQLJCXMZ-NSIKDUERSA-N	417.878	3.861	10	20	HHCD	
Cc1ccccc1CC(C)(C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	728221325	YSZXAYLCVQEMNN-NRFANRHFSA-N	422.573	3.517	10	20	HHCD	
CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	728636866	DBXGKFGAUOKMEX-LJQANCHMSA-N	400.519	3.852	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C(C)C)sc3c2)c1	729061985	NERJZDHCYZYLIV-GFCCVEGCSA-N	413.499	3.950	10	20	HHCD	
CCCc1cc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n2ncnc2n1	731903173	BKIMIUNJSUTRQZ-KRWDZBQOSA-N	400.914	3.512	10	20	HHCD	
COc1cccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c1	732911161	PUYAJMYROMDGSQ-UHFFFAOYSA-N	412.496	3.805	10	20	HHCD	
Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	733801149	DPFNIKMPPAFLMS-UHFFFAOYSA-N	419.441	3.817	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	734404065	FESDQEYZZKUORS-LJQANCHMSA-N	413.949	3.883	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccn(-c2cccc(Br)c2)n1	734405400	GHIJTRHYMCCEIY-UHFFFAOYSA-N	413.319	3.939	10	20	HHCD	
O=C(c1cccc(OC[C@H]2CCCO2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	735517079	HEGAADXQTKJJKB-FGZHOGPDSA-N	411.498	3.771	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Oc2ccncc2)c1	737117792	STZSDGYXQJJYAI-UHFFFAOYSA-N	418.497	3.927	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2nc(-c3ccoc3)no2)cc1	739708091	FIWGDOJPYZLSAC-FQEVSTJZSA-N	424.501	3.536	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cc(Cl)c2c(c1)OCCCO2	740901993	LVDJUOQEOMRYNF-UHFFFAOYSA-N	413.905	3.877	10	20	HHCD	
Cc1cccc2c(=O)n(CC(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cnc12	742417141	VKHAQSGQPCPXFC-UHFFFAOYSA-N	418.541	3.790	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2ccccc2nc1O	742799648	MENIEKAIBAHUJY-HNNXBMFYSA-N	413.424	3.941	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnc2c(c1)c(C)nn2C	743098799	SDLBCPPUYKBLBI-UHFFFAOYSA-N	418.295	3.799	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H](C)Oc3ccc(F)cc3)CC2)cc1	743679048	SVRYNINCDIPXKE-INIZCTEOSA-N	401.482	3.570	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	743718749	KQZHAUZQFYDDJF-KRWDZBQOSA-N	412.917	3.589	10	20	HHCD	
CCN(CC(=O)NCC1(c2ccccc2)CC1)Cc1cc(Br)ccc1O	743871723	KJYZFGVSGVGHRM-UHFFFAOYSA-N	417.347	3.825	10	20	HHCD	
CC1CCN(CCCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745347838	PJHQUYRZCHIIME-SFHVURJKSA-N	424.536	3.678	10	20	HHCD	
Cc1cccc(-n2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)nn2)c1	754551741	KXKVDLVRJQRYQD-UHFFFAOYSA-N	408.417	3.603	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)c1	756382193	AALWKVKJJASIMR-FGTMMUONSA-N	412.530	3.639	10	20	HHCD	
C[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1cc(Br)cc(F)c1O	756382231	AMVZOYXDZIBGEQ-SNVBAGLBSA-N	417.300	3.516	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	756526958	PMUYMKFDEMCGSI-YQQAZPJKSA-N	406.523	3.865	10	20	HHCD	
C[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn12)[C@@H](C)NC(=O)OC(C)(C)C	756721005	GQZFBWLZDNGXAI-LSDHHAIUSA-N	409.490	3.884	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1COc2ccc(Br)cc21	758407446	HNQAEFRZVKIMRH-SFHVURJKSA-N	401.304	3.842	10	20	HHCD	
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCCCSc1nccs1	758595141	OWWWXHUDZPKTQO-UHFFFAOYSA-N	420.560	3.692	10	20	HHCD	
Cc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)c(Br)c1	759594089	FUXXTXIJTZBEIE-ZCRIDZFUSA-N	420.259	3.752	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)CCCN(C)c2ccc(OC(C)C)cc2)cc1	759933103	IXYXBXVZDAMDKQ-UHFFFAOYSA-N	404.532	3.732	10	20	HHCD	
COc1cc(Br)cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1	760603096	UTUBXMXMRZWMPY-UHFFFAOYSA-N	415.290	3.975	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccncc3C(F)(F)F)cc2F)C[C@@H](C)O1	764383704	VKQFUXPNYNYBNI-BETUJISGSA-N	411.399	3.783	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(N(C)C)cc1	764636680	UCTBHTKNMDCHJL-SFHVURJKSA-N	401.576	3.778	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(NC(=O)C2CC2)cc1	765226599	LGVWXHUXMPEVIX-UHFFFAOYSA-N	404.264	3.825	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1	768195751	BFSMJZRINVZMRC-GOSISDBHSA-N	403.567	3.648	10	20	HHCD	
Oc1cc2c(cc1CN(Cc1cc(Br)ccc1F)C1CC1)[C@@H](O)CO2	768439384	GSZIBUFPMOHHMQ-SFHVURJKSA-N	408.267	3.884	10	20	HHCD	
CN(C)c1ccc(CN(CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)cc1	769107735	XRZDMGYRARXWMD-UHFFFAOYSA-N	403.526	3.819	10	20	HHCD	
CCN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1nc(C)cs1	769913208	DIVMJWCYQNFJPY-UHFFFAOYSA-N	423.541	3.686	10	20	HHCD	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc([C@H]2CCCOC2)no1	771604514	ZRRFBQSLEKSNFF-LQELWAHVSA-N	421.569	3.859	10	20	HHCD	
CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773747739	GZALPKQPHOYJTK-MRXNPFEDSA-N	409.486	3.679	10	20	HHCD	
Cc1c(C(=O)O)cc(Br)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	776751253	SELDANVYKMQUCK-UHFFFAOYSA-N	420.668	3.616	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	777972111	QCIIKMONSHKMBD-LLVKDONJSA-N	400.420	3.687	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CS[C@@H](C)c3nc4ccccc4o3)CC2)cc1	778050924	QOQINARGDAQNQR-INIZCTEOSA-N	411.527	3.979	10	20	HHCD	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1	779022941	MDFYVFHEMCPWPE-AVRDEDQJSA-N	417.594	3.630	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c[nH]1	783693084	IPBLDKQWPPNRKD-QPEQYQDCSA-N	423.313	3.970	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ncnn3-c3ccccc3)c2C)cc1	787608806	VBFLWDATXYPKSP-UHFFFAOYSA-N	401.470	3.613	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3oc4ccccc4c3OC)CC2)cc1F	788863809	VZQCPANGMQUEGH-UHFFFAOYSA-N	413.449	3.621	10	20	HHCD	
CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1ccc(N(CC)CC)cc1	788951662	NDVAESOWEKBPBP-UHFFFAOYSA-N	401.938	3.851	10	20	HHCD	
COC[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@H]1CCCO1	790271566	QAGUUCXIQBTIRV-RBUKOAKNSA-N	421.335	3.780	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(N2CCC2=O)c1	790571279	KPSMXQXKWSWLIX-UHFFFAOYSA-N	418.291	3.945	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](Nc2cccc(Br)c2)C1	791165840	WZOZKDLJZQJYII-KMDWOBIYSA-N	417.303	3.977	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(-n3nnnc3O)cc2)c(C)n1-c1ccc(Cl)cc1	793950835	PRLVUGXNEKYJAY-UHFFFAOYSA-N	408.849	3.681	10	20	HHCD	
COc1cccc(OC)c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F	796266277	PGEPMXOFQMCXCA-UHFFFAOYSA-N	410.436	3.849	10	20	HHCD	
CCOC(=O)c1cccc(OC[C@@H](O)CSc2ncc(-c3ccccc3)n2C)c1	798020489	AQNQQCWSDAJIGL-GOSISDBHSA-N	412.511	3.796	10	20	HHCD	
Cc1cc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2C)c(C)n1-c1ccccc1	800727842	QRYDUTQLAYAFNT-HXUWFJFHSA-N	409.534	3.520	10	20	HHCD	
COc1cc(N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc(OC)c1OC	804614046	RGURFRFITIVZFW-UHFFFAOYSA-N	407.854	3.601	10	20	HHCD	
CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccco1	806439919	IFTHQHRECVDXCG-FXAWDEMLSA-N	416.591	3.761	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2cccc(Cl)c2)CC1	807411084	FHWOUQGRZGJNBJ-UHFFFAOYSA-N	400.906	3.632	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3c4ccccc4O[C@@H]3C)cc2F)C[C@@H](C)O1	808237775	FMZAGBXDCZUMLV-NXLNFEJXSA-N	413.493	3.761	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(-c4cc5ccccc5o4)n3C)CC2)cc1	809822853	UNAKNOOJCLDENN-UHFFFAOYSA-N	403.486	3.954	10	20	HHCD	
CN1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)C1	815830913	RWIJPUWFYRCNRH-HSZRJFAPSA-N	405.502	3.985	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1OCCc2sccc21	815860427	KWWTZFFUMDSQPU-XPIZARPCSA-N	401.528	3.911	10	20	HHCD	
COc1cccc(C(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)c1OC	816497539	HKQORMAIBHQMCP-UHFFFAOYSA-N	406.482	3.521	10	20	HHCD	
COCC1(CNCc2cc(Cl)c(F)cc2O)CCN(C(=O)OC(C)(C)C)CC1	816603647	MMCOTDNESLYSLY-UHFFFAOYSA-N	416.921	3.938	10	20	HHCD	
O=C(NC1(Cc2ccc(F)cc2Br)CCOCC1)c1cccc(O)c1O	817796213	KTHPWPKKXWSTOS-UHFFFAOYSA-N	424.266	3.521	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc4c(c3)CCC4)cc2F)C[C@H](C)O1	917707988	ASXLLZSFEWEZEE-IRXDYDNUSA-N	412.505	3.623	10	20	HHCD	
Cc1cc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1-c1ccccn1	918121094	IBPACFDIZORAIN-UHFFFAOYSA-N	412.534	3.961	10	20	HHCD	
O=C(Nc1cnc2ccccc2c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	918295202	OGYWFJCXLZQKLD-UHFFFAOYSA-N	401.422	3.701	10	20	HHCD	
C[C@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	920230818	YZUIIVHJVURFSO-KBPBESRZSA-N	406.438	3.926	10	20	HHCD	
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	1325052868	KPERPSSHRIACKA-KRWDZBQOSA-N	423.492	3.935	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(-c4cnn(C)c4)ccc3F)CC2)cc1	1325172846	MRJRPEZMBCFNEW-UHFFFAOYSA-N	408.477	3.587	10	20	HHCD	
CCC(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(c2ccc(OC)cc2)CC1	6108061	XGSQTWSUBRFOPO-UHFFFAOYSA-N	416.905	3.669	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N1CCC(Cc2ccccc2)CC1	96970962	HWIPRXRMSFLDAI-XMMPIXPASA-N	422.569	3.855	10	20	HHCD	
CCOc1ccc(SCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	145561294	STVHBGUNWRTJLP-QGZVFWFLSA-N	400.544	3.891	10	20	HHCD	
C[C@H](Nc1ccc2nnc(-c3ccsc3)n2n1)c1ccc(N2CCOCC2)cc1	302568478	OKOYKOHHIZDTJV-HNNXBMFYSA-N	406.515	3.863	10	20	HHCD	
Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c12	303666497	FKFVRWUYCVRUPO-KRWDZBQOSA-N	407.470	3.936	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3CN3CCOCC3)ccc21	483407355	MLNZPUWBNGXKBI-UHFFFAOYSA-N	421.541	3.989	10	20	HHCD	
C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H](C)C1	726706135	YNXSKMPVLMIIBC-SJORKVTESA-N	424.536	3.676	10	20	HHCD	
Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc12	727246739	PQSMVKGOJUUQMA-UHFFFAOYSA-N	419.919	3.854	10	20	HHCD	
COc1cccc(CNC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c1O	729859959	ZUTMTEMWNJXDQF-UHFFFAOYSA-N	401.466	3.658	10	20	HHCD	
CC[C@@H](CNC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccccc1	730112448	CXIPVXQSDNMVHB-FQEVSTJZSA-N	412.553	3.961	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CSCN3C(=O)CC(C)(C)C)cc2)CC1	731014725	HNDGRKBMIMABDA-FQEVSTJZSA-N	417.619	3.877	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc(Cl)c(C(N)=O)c3)cc2)CC1	731041957	HTSOJUZSZNPRDQ-UHFFFAOYSA-N	400.910	3.997	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCCS(C)(=O)=O)sc(C)c1-c1ccc(C)cc1	731163659	QOSGDUSOGGWVHH-UHFFFAOYSA-N	423.556	3.972	10	20	HHCD	
CCN(C(=O)/C=C/c1cnc(C)s1)c1ccc(S(=O)(=O)C(F)(F)F)cc1	732734658	ARODEIUERYJNAA-RMKNXTFCSA-N	404.435	3.811	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)ccc1[N+](=O)[O-]	734740789	SMUDWXOAHNSCJA-UHFFFAOYSA-N	417.468	3.762	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCc3c(Cl)cccc3C2)c1	739862654	HKOYVRFNAGTSFL-UHFFFAOYSA-N	414.933	3.639	10	20	HHCD	
COCc1ccccc1CNC(=O)CN(Cc1ccco1)c1ccc(OC)c(F)c1	739925834	BVIKUHACZUIXKI-UHFFFAOYSA-N	412.461	3.897	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(Br)cn3)cc2)CC1	742294259	RRYQBHBHEZVJSX-UHFFFAOYSA-N	424.364	3.559	10	20	HHCD	
COc1cc(N(C)CC(=O)Nc2ccc(N3CCCCC3)cc2)cc(OC)c1OC	744405109	MNEILFOHSDBFIE-UHFFFAOYSA-N	413.518	3.778	10	20	HHCD	
CCc1cc(N2CCC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2)ncn1	745816284	FAEHOSQGWLXJMC-OAQYLSRUSA-N	424.593	3.694	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)ccc21	746880014	SHMIOCDNEKJNSL-UHFFFAOYSA-N	405.376	3.865	10	20	HHCD	
CCCCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1(C)C	748959194	JLFVFCFDAQNOLI-FGZHOGPDSA-N	417.594	3.678	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCc3ccc(F)cc3F)cc2F)C[C@@H](C)O1	751647347	XQCJTUXQQMOYFN-HUUCEWRRSA-N	406.448	3.967	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)cc1F	752911646	LLGUAMYVIPJOOE-NRFANRHFSA-N	411.477	3.930	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@H](c3ccccc3)c3ccc(F)cn3)CC2)cc1	753641287	UBBIPARTURZJMC-RUZDIDTESA-N	420.532	3.731	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cc(=O)c(OC)co1	754449169	CTZNUPXTAQCEHD-UHFFFAOYSA-N	400.456	3.595	10	20	HHCD	
CN(C(=O)Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1)c1ccccc1	755011558	JUJKFJMTRHOMGI-UHFFFAOYSA-N	419.481	3.668	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Br)cc1O	756373982	WMEXULJAFOHACC-MRVPVSSYSA-N	403.198	3.861	10	20	HHCD	
CS[C@H](CO)[C@H](C)N[C@@H](C)c1cc(Br)cc(Br)c1O	756594592	RGUSOICVZIWFRY-YVZVNANGSA-N	413.175	3.680	10	20	HHCD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N2CCCCC2)cc1	758785337	JMKWIJOLFGTYOO-UHFFFAOYSA-N	400.544	3.573	10	20	HHCD	
CC(C)Oc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccn1	759773692	HIFVKEHKGVYANS-UHFFFAOYSA-N	405.445	3.869	10	20	HHCD	
Cc1cc(C(=O)CN(C)c2ccc(OC(C)C)cc2)c(C)n1[C@@H]1CCS(=O)(=O)C1	759933720	OWZBINRZASPPIA-LJQANCHMSA-N	418.559	3.571	10	20	HHCD	
COc1ccc(COCCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	760382114	LWDRRALCOSQSKG-LJQANCHMSA-N	412.530	3.706	10	20	HHCD	
Cc1cc(C(=O)Cn2ncc3c2C[C@H](O)CC3)c(C)n1-c1ccc(OC(F)F)cc1	763206713	VLBVEWNPUFLNHK-QGZVFWFLSA-N	415.440	3.625	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(N2CCOCC2)cc1	763378236	DBBAGHZCYZRZBO-YCRPNKLZSA-N	417.912	3.772	10	20	HHCD	
O=C(CSc1nc(-c2ccccc2)no1)NCc1cccc(Br)c1O	765747101	LQAGIAOJMNPYRT-UHFFFAOYSA-N	420.288	3.613	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(=O)n(-c4ccccc4F)n3)cc2)CC1	765792681	XOKDQBWRZDKKGG-UHFFFAOYSA-N	420.488	3.538	10	20	HHCD	
O=C(NC1CC1)c1ccc(CN(Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1	768424149	OVVYNUQNMBFSMO-UHFFFAOYSA-N	405.542	3.580	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(-n2ccnn2)c1	769018032	WLFNOWUWMIOJPO-UHFFFAOYSA-N	416.279	3.789	10	20	HHCD	
Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(F)c1	769631430	RZUDDAMMMFMIQL-UHFFFAOYSA-N	406.460	3.954	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(O)nc(C2CC2)c1	771377580	FYOGVRXARLYZGO-HNNXBMFYSA-N	403.429	3.665	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773005799	CZAHCYUHDKQNSZ-QGZVFWFLSA-N	417.575	3.583	10	20	HHCD	
C[C@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCOCC2)cc1Cl	773067810	HIPGBLVVHRFIMF-RTFZILSDSA-N	422.013	3.595	10	20	HHCD	
CCc1cnccc1[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	773506593	QQRTUSIEYMAHFY-ULQDDVLXSA-N	414.525	3.957	10	20	HHCD	
COc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	773749074	OEALOYHVEJXDPN-HNNXBMFYSA-N	405.450	3.698	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nccnc1-c1nc2ccccc2s1	773762996	PXYYCRSPVIGQQV-LBPRGKRZSA-N	406.467	3.526	10	20	HHCD	
Cc1nn(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)c1CCO	775323497	HGFLPGOSDZLVCV-UHFFFAOYSA-N	417.456	3.927	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccccc3Cl)C(C)C)nc12	775434974	SFZFSOYODPHPFL-SFHVURJKSA-N	402.882	3.752	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)c1ccc(N(C)C)cc1	776244158	FJMZYEXXKJJQBO-KXBFYZLASA-N	413.497	3.558	10	20	HHCD	
COCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1	778661014	IOFHZKKIBNTJQR-UHFFFAOYSA-N	419.484	3.974	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccc(CS(C)(=O)=O)cc2)c1O	779002885	IAPUSRPTHDCKQA-ZDUSSCGKSA-N	412.349	3.859	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1O	779029869	LAQUDMXMGYTDRC-KBXCAEBGSA-N	403.320	3.915	10	20	HHCD	
COC(=O)[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)c(Cl)c1	779183261	ZTMFJQGEEUIDIE-OAQYLSRUSA-N	418.921	3.830	10	20	HHCD	
CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)/C=C/c1ccc(O)c(O)c1	779492547	HEOBUZFULUKWFY-XBXARRHUSA-N	413.861	3.852	10	20	HHCD	
CCOC(=O)N1CCC([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	779669507	GSSFNZZNOQJJGX-KRWDZBQOSA-N	416.566	3.684	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12	781004621	IFHXEURZGFKAED-NSHDSACASA-N	424.403	3.732	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CC[C@@H](Cc2ccccc2)C1	782558551	OAXBHMVKZYELCO-PZJWPPBQSA-N	411.521	3.873	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1cc(F)cc(Br)c1)c1ccc(N(C)C)cc1	784352556	VPXSUCPRWLKTLZ-ACJLOTCBSA-N	411.315	3.745	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1C	789727375	OERVTGFKIRORFZ-UHFFFAOYSA-N	412.924	3.682	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CSCc1ccncc1	791250774	UPTQLCKNYWIAGF-UHFFFAOYSA-N	415.559	3.703	10	20	HHCD	
CC(=O)c1cc(F)cc(CN(CCO)Cc2ccc(Br)s2)c1O	792484600	KDZWSKZPAVDYTI-UHFFFAOYSA-N	402.285	3.552	10	20	HHCD	
Cc1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1N1C(=O)CNC1=O	794267297	QLHWKLTYXAUTLQ-UHFFFAOYSA-N	408.483	3.773	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccncc1OCC(F)(F)F	798366663	XCRFSRVTIHIMOJ-UHFFFAOYSA-N	408.424	3.622	10	20	HHCD	
C[C@H](CCNS(=O)(=O)c1ccccc1)NCc1cc(Cl)cc(Cl)c1O	801734446	BMXHZRRFFUWHGR-GFCCVEGCSA-N	403.331	3.546	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(-c2ccc(C)cc2C)c1	802609994	PMZCGCFRUGWSPL-UHFFFAOYSA-N	420.513	3.962	10	20	HHCD	
C[C@H](c1ccc(Br)cn1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	804188332	MBILNMWMAAREAD-SNVBAGLBSA-N	424.682	3.729	10	20	HHCD	
O=C(NCc1nc(C2CC2)cs1)C(=O)N(Cc1ccccc1O)C1CCCCC1	808304743	QYKWGWOGFJNXMI-UHFFFAOYSA-N	413.543	3.704	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)n(C3CCCCC3)n2)cc1	810353053	SNEZJJFZOGSJFO-UHFFFAOYSA-N	411.550	3.798	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccc(C(F)(F)F)s1	812493411	IRLBGZPFMWSEMX-UHFFFAOYSA-N	422.519	3.799	10	20	HHCD	
C[C@H](Sc1nc2c([nH]1)CCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	813582670	UJIVOZJBRSULEX-LBPRGKRZSA-N	417.490	3.793	10	20	HHCD	
COc1ccc(N2CCC(NCCCS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	815166594	OXIGTENDSIZGRV-UHFFFAOYSA-N	422.978	3.771	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H](O)CC2)c(C)n1-c1ccc(Br)cc1	815300394	NZTLBYMWBRHHOO-GOSISDBHSA-N	405.336	3.886	10	20	HHCD	
CN(CCCC(=O)Nc1c(-c2ccccn2)nc2ccccn12)C(=O)OC(C)(C)C	820006333	SYNKEHGJPKCJIC-UHFFFAOYSA-N	409.490	3.982	10	20	HHCD	
C[C@@H]1CN(C(=O)c2ccc(NCc3cc(F)c(N(C)C)cc3F)cc2)C[C@@H](C)O1	864039556	WVDHLUOKANIJEE-HUUCEWRRSA-N	403.473	3.892	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1nccs1	915155998	UZISJYGZXLJXNL-BENRWUELSA-N	409.583	3.849	10	20	HHCD	
Cc1nc2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)ccc2n1-c1ccccc1	916591450	MJWIRNJLXJEGIU-UHFFFAOYSA-N	402.406	3.785	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	916607801	SUGLOJGNUWLYKA-DHIUTWEWSA-N	423.557	3.747	10	20	HHCD	
Cc1ccc([C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C2CC2)cc1	918121178	DWFMAOAWOKYJIM-GGAORHGYSA-N	420.557	3.647	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1	918461018	NESAQABKTICRMJ-UHFFFAOYSA-N	422.312	3.679	10	20	HHCD	
COc1cccc([C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	919692711	PIXGYHWXWOURFB-BBWFWOEESA-N	400.494	3.868	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C3=NO[C@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1	919693012	XQXGDPGKYKZACP-DMPWYTOCSA-N	411.477	3.573	10	20	HHCD	
CCC(CC)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1	920409841	OIFDWMIXBSIHEN-IRXDYDNUSA-N	405.558	3.709	10	20	HHCD	
Cc1cccc(N2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1C	920868237	AQWQOLSXIIAIFW-NRFANRHFSA-N	422.573	3.733	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H]3c3cccc(Cl)c3)nc12	1319311852	BKNKBCMNSQXCJF-KRWDZBQOSA-N	400.866	3.602	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCCc4cnn(C(C)C)c43)CC2)cc1	1321191991	FTLHHYFMYCLXEO-NRFANRHFSA-N	411.550	3.818	10	20	HHCD	
COCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1	1800511798	IUFCCUUQKAWZQH-UADZTWIMSA-N	423.557	3.773	10	20	HHCD	
O=C(CSc1nnc(CN2CCCCC2)n1-c1ccccc1)c1ccc(O)c(O)c1	23484271	JPHRIBPXGQQTFL-UHFFFAOYSA-N	424.526	3.639	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	40884770	BZNUKAHUFTYPPY-XFXZXTDPSA-N	400.319	3.604	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C\c3ccco3)c2C)cc1	107661620	FTFMLUZLXCHDRN-KHPPLWFESA-N	407.422	3.913	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2sc(N(C)C)nc2s1	108785644	WSDBGBQIXWIDJD-UHFFFAOYSA-N	416.572	3.533	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3(c4ccc(F)cc4)CCOCC3)CC2)cc1	110354056	ZPVHUGPUENFVQF-UHFFFAOYSA-N	412.505	3.668	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NCc3ccc(N4CCOCC4)c(F)c3)n2)c1	237579875	FVHHQRMNULNQFI-HNNXBMFYSA-N	412.465	3.572	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(C)Cc2ccccc2C(F)(F)F)n(C)c2ccccc12	521098830	KOHBTPBHEUBSNY-UHFFFAOYSA-N	417.431	3.780	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccccc3-n3cncn3)SC2=S)cc1	726742880	YVZZQNBBLOONAF-WQRHYEAKSA-N	407.524	3.739	10	20	HHCD	
O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NCc1ccccn1	728790990	MEWFWJGWPDTYPJ-UHFFFAOYSA-N	404.495	3.995	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnc(-c3ncccn3)s2)cc1	728836715	DPDKMSOBPIJQPX-UHFFFAOYSA-N	421.448	3.871	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1	728937682	GXMBCMOPZXWIEA-UONOGXRCSA-N	404.536	3.972	10	20	HHCD	
CCN(CC)C(=O)c1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	729324252	ZJPNPAUTAFTEFT-UHFFFAOYSA-N	411.571	3.652	10	20	HHCD	
CCOc1ccc(NC(=O)CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731048724	DGMRAEYMOZGMSK-UHFFFAOYSA-N	424.545	3.760	10	20	HHCD	
CCN(CC)c1ccc(CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])cc1F	731352468	ZBAJITQMTJCZPM-UHFFFAOYSA-N	406.414	3.901	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)c1	733665613	LVZINTUUMMJNTL-OAHLLOKOSA-N	421.453	3.712	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F	734405701	XJMBRVBNGASEFE-UHFFFAOYSA-N	421.398	3.730	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCc2nc(C3CC3)no2)cc1	739708608	NIEBOPPTZXJUOH-FQEVSTJZSA-N	412.534	3.544	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1OCC1CC1	740071656	FSZOGEUOCOTRNG-UHFFFAOYSA-N	409.530	3.654	10	20	HHCD	
CC[C@]1(C)CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1	743860524	KJZPDDFOCCGLJX-IUKKYPGJSA-N	405.558	3.568	10	20	HHCD	
CCS(=O)(=O)c1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1	745843340	DUEULXZSIZLMQN-UHFFFAOYSA-N	410.539	3.860	10	20	HHCD	
COc1ccc2c(C)c(CCC(=O)NCc3ccc4c(c3)CCCN4C)c(=O)oc2c1	746813674	ZBKZEHUEZXZLBT-UHFFFAOYSA-N	420.509	3.741	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2csc(N(C)C)n2)cc1	747589995	YMIFFXSLQCVSNS-UHFFFAOYSA-N	413.547	3.780	10	20	HHCD	
COc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1F	748026428	BAPPBYUZELNJQB-UHFFFAOYSA-N	422.459	3.655	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(F)c(F)cc3Br)CC2)cc1	749605435	ONAQTMRBBLCXAR-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	750254623	YVINPWLKNNACAU-UHFFFAOYSA-N	409.486	3.508	10	20	HHCD	
Cc1ccc(CCNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1	751066169	CFSRGLQFXLHDJZ-UHFFFAOYSA-N	416.524	3.535	10	20	HHCD	
C[C@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751935302	ALGZZBRLNCEWEO-KSSFIOAISA-N	401.532	3.510	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3ccc(COC4CCOCC4)cc3)ccc21	752207888	WLOMXPORVFSIML-UHFFFAOYSA-N	423.557	3.764	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](NC2CCOCC2)C(C)C)c(C)n1-c1ccccc1	754512092	WFZBNMRVXOHXCS-HSZRJFAPSA-N	412.530	3.613	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1O	756483708	VSHRBANRRUZGEN-LLVKDONJSA-N	418.740	3.933	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c1	756802130	ABNCBHLAQULCSQ-CABCVRRESA-N	408.458	3.748	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)cc(OC)c1OC	759219803	FBMUQLDRRUOBRW-UHFFFAOYSA-N	421.497	3.531	10	20	HHCD	
C[C@H]1CN(CCCCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C[C@@H](C)O1	765404324	CJEFKQANUOOMLT-OTWHNJEPSA-N	410.002	3.717	10	20	HHCD	
CCS[C@@H](C)c1noc(CN(C)C(=O)NCCCSc2nccs2)n1	767096234	IGZJJGQZQZCMNQ-NSHDSACASA-N	401.583	3.664	10	20	HHCD	
COc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)cc(Cl)c1OCC(N)=O	768351805	KLMIBBGJACPIRW-UHFFFAOYSA-N	419.953	3.689	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1	768541920	AYEZGQDCVAQIKN-YLJYHZDGSA-N	421.557	3.930	10	20	HHCD	
C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCCCSc1nccs1	768691329	AAWPEXVNNUAKAH-GJZGRUSLSA-N	401.598	3.629	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-n2ccnc2)cc1	768915055	IHYGCDRHSAEAQG-LJQANCHMSA-N	410.905	3.626	10	20	HHCD	
CCCCn1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)n1	770226543	CKFXGJJNYINVSY-UHFFFAOYSA-N	406.477	3.992	10	20	HHCD	
COCc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1	774699704	HVYNECZWIAPQJJ-UHFFFAOYSA-N	408.476	3.905	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1O	774833342	OZELQLMELQGDOG-UHFFFAOYSA-N	421.494	3.673	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1O	774911459	GQEFQEXOOMMLMQ-AZUAARDMSA-N	411.502	3.796	10	20	HHCD	
NC(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1	775637968	UWQNBCZUDAQTCZ-UHFFFAOYSA-N	400.070	3.628	10	20	HHCD	
CC1CCN(Cc2csc(NC(=O)CN[C@@H](C)c3ccc(N(C)C)cc3)n2)CC1	775831993	WBMIYMSXDBOCGD-KRWDZBQOSA-N	415.607	3.730	10	20	HHCD	
COC(=O)C[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccn1	777345439	GTNUNGUTTBGGCX-HSZRJFAPSA-N	409.461	3.837	10	20	HHCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1	778750733	CJDSQIQYCFHMKM-GCJKJVERSA-N	421.557	3.570	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	779522076	QGESCACPVJXORH-IOMDMTNGSA-N	406.404	3.521	10	20	HHCD	
CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCN(C(=O)OC(C)(C)C)CC1	779533827	BKQBOSGPGOHESC-VQHVLOKHSA-N	404.507	3.749	10	20	HHCD	
O=C1/C(=C\c2cnn(Cc3ccc(F)cc3)c2)SC(=S)N1CCc1cccnc1	780142619	HEAOTMPOBRWOBP-VXLYETTFSA-N	424.526	3.909	10	20	HHCD	
CCC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1	784058102	KWPCQDSOUUZMOY-UHFFFAOYSA-N	408.502	3.922	10	20	HHCD	
COC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1	788731805	JTBNRASCPDXPCJ-QFIPXVFZSA-N	413.587	3.639	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cc1	793042283	HVJZXDLVTZRZFG-UHFFFAOYSA-N	400.466	3.855	10	20	HHCD	
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2)cs1	795613606	YWNZBNVZEPILKD-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
CCc1[nH]ccc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	796727907	JNJKOFNMRZARNL-LJQANCHMSA-N	400.523	3.639	10	20	HHCD	
CC(=O)NC1CCC(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	799913213	HPUGLKBAYRLGNL-MNNVXMFVSA-N	420.985	3.823	10	20	HHCD	
CN(C)c1ccc(CNc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1F	800312053	WAKTUCRGORGMQT-UHFFFAOYSA-N	411.525	3.685	10	20	HHCD	
CCn1nnnc1-c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	806289826	DZCZKIYHOSDVDZ-UHFFFAOYSA-N	407.261	3.694	10	20	HHCD	
COCCCOc1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1OC	806623932	ZOCZOYQDCGDMQB-CQSZACIVSA-N	404.463	3.707	10	20	HHCD	
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)NCc1cc(Cl)cc(Cl)c1O	807080927	KIIZIIULYZYPMF-JTQLQIEISA-N	406.310	3.802	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ccccn2)cc1	807672194	XIHDYIPRJFEOFA-WZONZLPQSA-N	416.525	3.539	10	20	HHCD	
C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(S(C)(=O)=O)cc1	807835947	NOBRPJRQCQVKFU-JTQLQIEISA-N	402.299	3.522	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3ccc(F)c4ccccc34)nc12	808768717	OZBYMKIGIZTDEO-CYBMUJFWSA-N	408.433	3.755	10	20	HHCD	
O=C(COc1cc(F)cc(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	810449268	DNYFDBRWKWUJQA-OAHLLOKOSA-N	412.383	3.730	10	20	HHCD	
CC[C@]1(C)NC(=O)N(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1=O	813547026	LIAYGZANQKXAJT-NRFANRHFSA-N	408.462	3.533	10	20	HHCD	
COC1(CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCC1	818015970	BPCRSZIZGSQVMT-FYWRMAATSA-N	424.613	3.805	10	20	HHCD	
O=C(Nc1ccccc1O)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	916587598	OZPJBADNFILEHW-UHFFFAOYSA-N	422.529	3.553	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	916671024	BTPKDEIBXCXWOZ-UHFFFAOYSA-N	423.492	3.787	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccn(-c4ccccc4)n3)cc2F)C[C@@H](C)O1	917712279	IITTZVKTMCNTTA-CALCHBBNSA-N	408.477	3.555	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)C2CC2)cc1	918064712	ISILOTMSXRJWBW-QHCPKHFHSA-N	420.557	3.790	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	918114157	CONGTCVEXLBMQM-UHFFFAOYSA-N	412.490	3.935	10	20	HHCD	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918222917	BEDMEABZJUDZJL-CQSZACIVSA-N	407.436	3.843	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1	918698835	JEAFLHFIUYVAOO-LJQANCHMSA-N	410.606	3.831	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	919368147	VERAXQIFNSEYMM-HOTGVXAUSA-N	400.441	3.623	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCOc2c(Cl)cccc21	919916660	ZYGGZQNSBDDSNI-FQEVSTJZSA-N	415.921	3.842	10	20	HHCD	
C[C@@H](C(=O)NCc1ccco1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	1324184298	PFWWMQNOLGSQMA-INIZCTEOSA-N	413.518	3.762	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1	7096643	YEMVXTRKRLRBNM-UHFFFAOYSA-N	412.505	3.905	10	20	HHCD	biogenic
CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1ncc(-c2ccccc2)n1C	7210806	BCJZTTWKSMHUFJ-UHFFFAOYSA-N	423.538	3.999	10	20	HHCD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccc(N2CCSCC2)cc1	54035437	UYHQOURJQXWBHW-UHFFFAOYSA-N	414.619	3.958	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccn3C)cc2F)C[C@@H](C)O1	227111724	VVDNQYNLNWHLJR-YVHKJVDXSA-N	414.525	3.825	10	20	HHCD	
C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	302984683	WCAZTHNGZTWQSA-MRXNPFEDSA-N	402.922	3.632	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCOc3cc(C)ccc3C)cc2F)CC1	303291132	KYWOOLPYQCAEEL-UHFFFAOYSA-N	413.537	3.670	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	303904855	LSEYPBOQKHJLMT-UHFFFAOYSA-N	423.557	3.571	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(CC(F)(F)F)CC3)ccc21	486752139	KSTVCEZMHNLWSA-UHFFFAOYSA-N	411.468	3.615	10	20	HHCD	
COc1ccc2ccccc2c1CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C	559662551	FPMYDPCWLPYJFB-UHFFFAOYSA-N	415.493	3.581	10	20	HHCD	
CCCNC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726695307	HXJOROROFJZPAZ-UHFFFAOYSA-N	410.518	3.626	10	20	HHCD	
O=C1/C(=C/c2ccc(N3CCOCC3)c(F)c2)NC(=S)N1c1ccccc1Cl	727263972	KFSBGBRHMCBLKM-VBKFSLOCSA-N	417.893	3.578	10	20	HHCD	
O=C(Cc1ccccc1C(F)(F)F)NCc1ccc(N2CCC(O)CC2)c(F)c1	729523020	CTYULPNXKZJOTB-UHFFFAOYSA-N	410.411	3.665	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCCNC(=O)NC2CCCCC2)cc1F	731345802	JIRLPZPFINTWCJ-UHFFFAOYSA-N	406.546	3.700	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCOc1cccc(Br)c1	734521608	ZIPNFVZGRPHQCY-UHFFFAOYSA-N	406.324	3.702	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCS[C@@H](c2ccccc2)C1	735581433	HXVBOBYIRUAJEZ-OAQYLSRUSA-N	415.534	3.662	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1csc(Nc2ccccn2)n1	736071410	FHERQCGBEIKTLR-UHFFFAOYSA-N	411.556	3.765	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCN(CC2CCOCC2)CC1	736282730	XVBDGSHRZZSXJQ-UHFFFAOYSA-N	419.363	3.852	10	20	HHCD	
COc1ccc(N(CC(=O)N[C@H](Cc2ccccc2)C(C)=O)Cc2ccco2)cc1F	739925846	CELXGAUCFABAQA-JOCHJYFZSA-N	424.472	3.750	10	20	HHCD	
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	741702526	HTHDLHDUYYQVML-QHCPKHFHSA-N	414.509	3.663	10	20	HHCD	
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	741712462	WIWDCOLYTDSKLL-GHTZIAJQSA-N	400.567	3.513	10	20	HHCD	
CC1(C)[C@@H]2CN(C(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)C[C@H]21	741978311	DDDKDAOTYRKWME-OMZQKGCKSA-N	406.598	3.844	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C	742334724	RYMSGWBSBVOFQR-INIZCTEOSA-N	410.486	3.852	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=NO[C@H](c2ccccc2)C1	742797475	CSWDIFLXTZLSRW-UZLBHIALSA-N	415.440	3.891	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(-n2cccn2)cc1	743555351	WIJMOFZXNMUIIJ-SFHVURJKSA-N	421.570	3.986	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCc4c[nH]nc4C3)c2C)c1	745628608	WPEJAVHHGLLUFB-GOSISDBHSA-N	405.498	3.965	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)/C=C\c1cnc(C(C)(C)C)s1	745677295	NIQQRJKFBFTBNF-QXMHVHEDSA-N	415.559	3.722	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)CC2)cc1	747210689	RRVCWJDCDHLMGO-QHCPKHFHSA-N	411.521	3.538	10	20	HHCD	
C[C@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc2ccccc2c1O	756577933	STAFBTHSGCCSPG-ZDUSSCGKSA-N	416.465	3.758	10	20	HHCD	
C[C@H]1C[C@H](NCc2ccc(C(=O)NCCN3CCCC3)cc2)c2c(O)ccc(F)c21	756731755	BLLBBRYCWKHADZ-JXFKEZNVSA-N	411.521	3.695	10	20	HHCD	
C[C@H](NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc(Br)c(F)cc1O	756764344	GQPPHXKJIMJRAR-JBBXEZCESA-N	415.347	3.712	10	20	HHCD	
C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O	757676681	VSNRKEIBPYBTMZ-AWEZNQCLSA-N	400.456	3.578	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)CN(C)c2ccc(OC)c(Cl)c2)cc1	757856739	GFMAIUHPAHAYQQ-UHFFFAOYSA-N	403.910	3.906	10	20	HHCD	
Cc1cc(Cc2nc([C@H]3CCS(=O)(=O)C3)no2)c(C)n1-c1ccc(Cl)cc1	761626859	MUTOJXOHJHKEGK-AWEZNQCLSA-N	405.907	3.623	10	20	HHCD	
O=C(c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1F)N1CCCC1	763389856	PEOSAWUZRICXBS-UHFFFAOYSA-N	421.475	3.579	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1cccc(Br)c1O	764763316	KFUMWLCAVCJKCW-UHFFFAOYSA-N	404.308	3.754	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(C)ccc2Br)c1	765687124	QUVYOQNGKQNQBK-LLVKDONJSA-N	400.294	3.511	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3cccc(Cn4ccnc4)c3)c2)CC1	767880576	BVIDZJSJENJTER-UHFFFAOYSA-N	403.530	3.714	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCOC4(CCOCC4)C3)c2C)cc1	767906843	SGJUGHGSXIGPOY-UHFFFAOYSA-N	412.530	3.557	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)C(C)C)c2)cc1	769804178	QAECVRLPWNPXRR-UHFFFAOYSA-N	402.560	3.987	10	20	HHCD	
COc1ccc(N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1F	770299947	GMVBKXKCSVVURX-UHFFFAOYSA-N	424.270	3.827	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3ncn(-c4ccccc4)n3)ccc21	770963728	ADJIZARPZICZJR-UHFFFAOYSA-N	404.470	3.842	10	20	HHCD	
Cc1cc(C(=O)NCc2nc(COc3ccccc3)n[nH]2)c(C)n1-c1ccc(F)cc1	771571302	RNLVFVLYCXXIHT-UHFFFAOYSA-N	419.460	3.860	10	20	HHCD	
CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1	773098651	NZWUNPXXGHOUMW-IEBWSBKVSA-N	420.550	3.565	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1	773741962	NRIUZNAOVKBLHM-VIFPVBQESA-N	403.328	3.662	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc(N(C)C)cc1	773857380	NEPRRAIEIYESMK-QGZVFWFLSA-N	402.498	3.554	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC2C[C@@H]3CC[C@H](C2)N3C)NC(=O)OC(C)(C)C)cc1	774303071	REQIKTOLAHYTJT-VCYXJBJXSA-N	402.583	3.533	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)CCN1C(=O)OC(C)(C)C	774910515	CFJPSMWGJFKSCJ-ZIAGYGMSSA-N	414.597	3.713	10	20	HHCD	
Cc1ccc([C@H](NC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)cc1	775255966	SOFGUZXNLILQKA-CLOONOSVSA-N	407.558	3.750	10	20	HHCD	
COc1cccc(CN[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1O	776948716	GZLOLAAUNNWYNC-QGZVFWFLSA-N	408.420	3.700	10	20	HHCD	
Cc1ccncc1/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	783912909	NRYUPZVPKSTZAR-HYXAFXHYSA-N	405.420	3.575	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H]3CCC[C@H](c4ccnn4C)C3)cc2F)C[C@@H](C)O1	790486595	DEYUQDRHCIIQGD-KVPLUYHFSA-N	400.542	3.989	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1Cl	790489722	GITGYTMIXVJWNB-UHFFFAOYSA-N	424.932	3.855	10	20	HHCD	
CCOC(=O)c1csc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	790502252	LMTROYMPCCSDNE-KDOFPFPSSA-N	416.547	3.994	10	20	HHCD	
COCCN(C)c1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	790972794	IUUQSKPUWCXASC-SFHVURJKSA-N	420.504	3.524	10	20	HHCD	
CCOCN(C(=O)CN[C@H](C)c1cc(OC)ccc1O)c1c(C)cccc1CC	801528326	GUJLXRKKPNGOSU-QGZVFWFLSA-N	400.519	3.949	10	20	HHCD	
O=C(NCc1ccccc1CN1CCCC1=O)NCc1cc(Cl)cc(Cl)c1O	804894954	UZRYVECBASNQDD-UHFFFAOYSA-N	422.312	3.821	10	20	HHCD	
CCS[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	805019795	KHJDBXPLXXMIFY-CTNGQTDRSA-N	417.619	3.720	10	20	HHCD	
CCS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	805025686	UAJCMXKRKNMULZ-NHCUHLMSSA-N	417.619	3.672	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1	806459688	XNXIZHAMMPRICZ-GOEBONIOSA-N	400.441	3.616	10	20	HHCD	
CC(=O)c1cc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)ccc1F	806832615	BHNIFTDDNSHPDM-UHFFFAOYSA-N	421.472	3.733	10	20	HHCD	
CN(C)CCN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(F)cc1F	809737829	MEAYWFMQLRMAEF-UHFFFAOYSA-N	407.480	3.504	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F	810343370	VNXIVILYGPCXTL-UHFFFAOYSA-N	407.417	3.579	10	20	HHCD	
CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(N(C)C)nc3)n2)cc1	811822618	KQLXKQURMYEHBX-UHFFFAOYSA-N	406.558	3.794	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21	812649823	GTCUEASRCTZKCC-BBRMVZONSA-N	408.545	3.683	10	20	HHCD	
CCc1nc(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1	815710298	IJYPAZIVFYKWNF-QGZVFWFLSA-N	416.522	3.607	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc4oc(S)nc4c3)cc2F)C[C@@H](C)O1	816891107	IICOOESMQNCEHJ-CHWSQXEVSA-N	415.490	3.799	10	20	HHCD	
C[C@H](CCc1ccco1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	918187147	WGPIZZHNCLJPCH-BRWVUGGUSA-N	403.498	3.853	10	20	HHCD	
O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccc(N2CCC(CO)CC2)cc1	919970188	SSCFPTGQVHDZQB-UHFFFAOYSA-N	420.553	3.663	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1N1CCN(C)CC1	920938747	AOCLEHNROCBNCU-UHFFFAOYSA-N	409.578	3.947	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](c2ccccc2)c2cnn(C)c2)cc1F	1116539729	CYOUTRHOCOMBBE-QFIPXVFZSA-N	409.509	3.994	10	20	HHCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1320126604	JDCCLYIJLUMBGN-APWZRJJASA-N	404.894	3.540	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-n3cccn3)cc2)cc1	69694038	UQRZRGIJRVNBQE-HSZRJFAPSA-N	404.514	3.760	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nnnn3CC(F)(F)F)c2C)c1	72067909	YJLSXZXFLVXWLZ-UHFFFAOYSA-N	409.437	3.926	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)cc1	303829389	OJVYULKKZOZHCR-UHFFFAOYSA-N	415.490	3.736	10	20	HHCD	
Cc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	726104171	QFVNMAKJSIHNAE-LJQANCHMSA-N	411.521	3.794	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(-c2ccco2)[nH]n1	726568082	VNMWMUBYEJBQQW-UHFFFAOYSA-N	402.401	3.670	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC(C)(C)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1	726613225	PBEXYHLFPQGESG-KDURUIRLSA-N	416.610	3.720	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3cccc(F)c3)cc2F)CC1	730194302	HEBAQRISZCVGDH-KRWDZBQOSA-N	401.501	3.602	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(OCC(=O)OC)c2)cc1F	731403018	QXZZMZBCZUEDGG-UHFFFAOYSA-N	403.454	3.545	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1	734405697	XHGPGGJSKBWAEJ-UHFFFAOYSA-N	422.550	3.965	10	20	HHCD	
CCOC(=O)N1[C@H](C(=O)NCc2ccc(N(C)C)cc2C)CC[C@H]1c1ccc(C)o1	736486331	SLMAMPGVDXNHHL-PMACEKPBSA-N	413.518	3.941	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(OCc3cccc(C)c3)c2)c1O	737278279	HIBFZCHDFFLIEH-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
CCOC(=O)c1ccc(N2CCCN(Cc3c(O)ccc4ccccc34)CC2)nc1	738109185	IONBKNSMRDXHLK-UHFFFAOYSA-N	405.498	3.829	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)cc2nc[nH]c12	742800318	IBIOTAWFDYWTTR-CYBMUJFWSA-N	404.392	3.702	10	20	HHCD	
Cc1cccc2c(CCC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c[nH]c12	743313295	IHGXDOSAKDFNLY-UHFFFAOYSA-N	409.505	3.826	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(c2cccc(F)c2)CCC1	746011718	ZTEUDKJSEFMXKB-UHFFFAOYSA-N	400.469	3.664	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCCC3CCN(CC(F)(F)F)CC3)ccc21	748961887	XZOBVJUIWFBLBV-UHFFFAOYSA-N	412.500	3.533	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(F)c2I)c1	750537731	UHKLFFOMWOFRCK-SECBINFHSA-N	415.202	3.636	10	20	HHCD	
O=C1CCCCN1Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	752156373	PMFIIXUKCPJFTB-JOCHJYFZSA-N	422.525	3.726	10	20	HHCD	
O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	752467420	PJBKPSFAQQOKIJ-XMMPIXPASA-N	414.465	3.991	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2cc[nH]n2)c(C)n1-c1cccc(C(F)(F)F)c1	753891886	SWGDWPIRZSHILC-UHFFFAOYSA-N	405.376	3.805	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC(C)(C)CN(C)Cc3ccccc3)CC2)cc1	754643147	RZAIOWOKTONNLI-UHFFFAOYSA-N	424.589	3.874	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1	756709940	QTTVRWSESBMVMI-SJCJKPOMSA-N	422.403	3.654	10	20	HHCD	
C[C@H](N[C@@H]1CCc2n[nH]cc2C1)c1cc(Br)cc(Br)c1O	756760299	NPTIPDOUFGDXEN-GZMMTYOYSA-N	415.129	3.848	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccco3)CC2)cc1	758739494	IVQAFSNDRYGHEI-PZJWPPBQSA-N	413.518	3.555	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(CNCc2ccc(N3CCC(CO)CC3)cc2)CC1	760661015	ANFOYGJXLONQCD-UHFFFAOYSA-N	417.594	3.632	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	761752566	YSVZRGPCVIOITI-OAHLLOKOSA-N	421.266	3.768	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1OCC(F)F	762219425	BAHQYVQLISGVFX-UHFFFAOYSA-N	409.408	3.628	10	20	HHCD	
COc1cc2c(cc1CN[C@H](C)c1ccc(N3CCOCC3)c(F)c1)O[C@@H](C)C2	764841389	PDVAYDFLOFJZLD-JKSUJKDBSA-N	400.494	3.845	10	20	HHCD	
C[C@H](NC[C@H](C)N1CCc2sccc2C1)c1ccc(N2CCOCC2)c(F)c1	765376802	PBWPNHJTKZRRPT-IRXDYDNUSA-N	403.567	3.821	10	20	HHCD	
Cc1nc(C)c(C(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)o1	767245303	BLQJEVRTWZTKPT-UHFFFAOYSA-N	423.808	3.760	10	20	HHCD	
CCc1nc(-c2ccc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc2)n[nH]1	770857111	IEARQVKJMUZWFE-UHFFFAOYSA-N	407.543	3.517	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccnc(OC2CCCCC2)c1	771601700	QWHAJCUKPSQMDS-UHFFFAOYSA-N	409.530	3.902	10	20	HHCD	
COc1cccc([C@@H]2[C@@H](C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC(=O)N2C2CC2)c1	773013360	XHEURKNNSFSVFZ-CFJRQAHESA-N	421.541	3.691	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(OC)cc1	775223273	VCDBAZZGDLZCRE-NRFANRHFSA-N	422.481	3.790	10	20	HHCD	
CC(C)(C)OC(=O)Nc1cccc2c1N(CCN1C(=O)c3ccccc3C1=O)CC2	775774451	WOCOUNFRDCFMFJ-UHFFFAOYSA-N	407.470	3.692	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)cc1	776903895	AHRKWVFYTQHODF-QGZVFWFLSA-N	404.555	3.541	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)c1	778913845	FVYLZFHJXQBPME-UHFFFAOYSA-N	421.222	3.887	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ncccn2)cc1C	784027874	OJTWZYNIMFNNLJ-UHFFFAOYSA-N	420.469	3.660	10	20	HHCD	
Cn1ccnc1-c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	784061631	RGJHGQVYHXEQLF-UHFFFAOYSA-N	417.513	3.974	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)cc1F	784157174	QZNJZSJCMFUQGG-UHFFFAOYSA-N	400.347	3.955	10	20	HHCD	
O=C(COC(=O)c1cc(Cl)cc(Br)c1F)c1ccc(O)c(O)c1	785016957	HPLMZUPHQGVEMY-UHFFFAOYSA-N	403.587	3.693	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(C)c(F)c1	785193645	YSNIFVKANHQDKO-UHFFFAOYSA-N	409.255	3.589	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccc(Br)n1)c1ccc(N2CCOCC2)cc1	786144095	HNLFITZMLLGMEA-CYBMUJFWSA-N	405.296	3.563	10	20	HHCD	
Cc1ccc([C@@H]2CSCCN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788937014	MHFNXIAOOONWHJ-QFIPXVFZSA-N	423.582	3.528	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC2(CCOCC2)O1	790504012	FMERAXKQSQANLZ-IBGZPJMESA-N	415.578	3.935	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(F)cc2nc[nH]c12	791246399	OBFBIHONJWWRDD-UHFFFAOYSA-N	412.465	3.704	10	20	HHCD	
CCc1cccc2c1OCC[C@H]2N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	794784403	CTPKSMTWFNAZPH-QGZVFWFLSA-N	400.862	3.896	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(OCC2CC2)cc1	797744917	YWXKANWCITWKSD-UHFFFAOYSA-N	404.850	3.953	10	20	HHCD	
Cn1cc(N2CC[C@@H](Nc3ccc(Cl)cc3C(=O)c3ccccc3F)C2=O)cn1	799968072	VUWQLMZPWNMEFZ-LJQANCHMSA-N	412.852	3.661	10	20	HHCD	
COCCn1cc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c(C)n1	800344814	VVWJZJQMRKZBPZ-HNNXBMFYSA-N	404.942	3.658	10	20	HHCD	
Cc1cc(C)nc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1	800636101	DZKOBHSYVYHDMX-AWEZNQCLSA-N	414.937	3.843	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CCCOc2ccccc21	804063758	AKKZGFNWVPGBJJ-JOCHJYFZSA-N	421.541	3.665	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C	807101028	SBTZRUJZPAOVNO-MRXNPFEDSA-N	416.591	3.785	10	20	HHCD	
CS[C@@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1	807202410	CUFUVHGAIULEMQ-PKOBYXMFSA-N	404.576	3.844	10	20	HHCD	
Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C	807407415	OKTAYYSFYFCJEW-GBXCKJPGSA-N	424.589	3.664	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1c(C)noc1C	809617455	AOHISFOEBREPQM-LJQANCHMSA-N	413.518	3.926	10	20	HHCD	
CC[C@H](NCC(=O)NCCc1ccccc1OC)c1ccc(C(F)(F)F)cc1O	810239161	XHBIUDBQMWDGFP-KRWDZBQOSA-N	410.436	3.819	10	20	HHCD	
CCOCCNC(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814771513	VNBGVMHXRKYINB-DHDCSXOGSA-N	406.554	3.758	10	20	HHCD	
O=C1NCCCN(Cc2ccc(OCc3ccccc3)cc2O)[C@@H]1Cc1ccccc1	816640883	ABAWAPXJQSUXCV-XMMPIXPASA-N	416.521	3.904	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3nc4c(cc3=O)CCCC4)c2C)cc1	831769446	NPBBOIAONYQFSP-UHFFFAOYSA-N	405.498	3.811	10	20	HHCD	
CCN(CCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1	913635723	DTZWSCIISNLPCF-UHFFFAOYSA-N	410.562	3.581	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1OC	914577144	JJQXVSXTHTYZJT-UHFFFAOYSA-N	412.439	3.906	10	20	HHCD	
CSc1nc(C)c(CCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(O)n1	914840456	CUSUREHJBLTSMQ-UHFFFAOYSA-N	402.564	3.648	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccnc(OC4CCCC4)c3)CC2)cc1	918007062	XSGFAYHFLOOYRG-UHFFFAOYSA-N	424.545	3.834	10	20	HHCD	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918221604	ZIPZZNNRWWYKGG-AWEZNQCLSA-N	421.463	3.968	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(=O)N(C)Cc1ccccc1O	918444998	ZKGCCCZIDZXURC-UHFFFAOYSA-N	417.465	3.550	10	20	HHCD	
COCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)oc2ccccc12	919969075	WFTHTVRELCDXBF-UHFFFAOYSA-N	408.498	3.718	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnn4ccncc34)c2C)cc1	1321565284	RKWGZIVDYLGKJQ-UHFFFAOYSA-N	418.453	3.575	10	20	HHCD	
COc1ccccc1O[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1327419173	QQYFEFXSUSEYHM-FQEVSTJZSA-N	413.537	3.630	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)c3ccccc3)CCC2)cc1)c1cc(O)nc(O)c1	1788427797	RTIAWBPKENSHPN-UHFFFAOYSA-N	403.438	3.554	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)COC(C)C)cc1	1792688771	AAROHLPHTRBESD-UADZTWIMSA-N	423.557	3.771	10	20	HHCD	
Cc1cc(CN2CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)on1	22243979	UEXLZBCSOPIEMG-UHFFFAOYSA-N	416.319	3.922	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1c1c(F)cccc1F	303714075	ZPNRUJGXAUWRSC-RTBURBONSA-N	400.469	3.593	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(SC)ccc3C)cc2F)CC1	303332001	ULFAEUOZLPJUBO-UHFFFAOYSA-N	401.551	3.928	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)c2ccccc2)cc1	97041947	VMTABSJXZBVHHE-UHFFFAOYSA-N	417.509	3.724	10	20	HHCD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21	475940130	RDEUJPGBROSPDI-UHFFFAOYSA-N	410.499	3.872	10	20	HHCD	
COc1ccc(CNC(=O)Nc2nc(-c3ccc(SC)cc3)ns2)c(O)c1	809931733	NXGNSYQQATZTHO-UHFFFAOYSA-N	402.501	3.963	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1Cl	806848503	VJJBPOOGYCXQEZ-NRFANRHFSA-N	411.933	3.846	10	20	HHCD	
CCCN(C)[C@@H](CNC(=O)NCc1cccc(OC)c1O)c1ccc(Cl)cc1	807411165	IHYKLDGDRVFMBC-SFHVURJKSA-N	405.926	3.937	10	20	HHCD	
Cc1cc(=O)n(C)cc1NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800547037	UFAWDKIXOPJZER-CQSZACIVSA-N	402.926	3.905	10	20	HHCD	
COCc1nc(NC(=O)c2sccc2-n2c(C)ccc2C)sc1C(=O)OC	807527350	NCNALOREZFSDJM-UHFFFAOYSA-N	405.501	3.797	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCc2cn(CCOC)nc21	802294183	DRJIFUFRUYTDJK-IBGZPJMESA-N	400.523	3.624	10	20	HHCD	
COc1cc(O)c(CN2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1OC	811517507	UPODRYABWLQUOF-QGZVFWFLSA-N	420.550	3.878	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2cccc(Br)c2)ccc1O	811705311	SCFPTOIQXPBQMY-UHFFFAOYSA-N	400.294	3.881	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3cc(C)nc(N4CCCC4)n3)c2C)cc1	814167286	TUPHZUOJDBQKKI-UHFFFAOYSA-N	419.529	3.731	10	20	HHCD	
Cc1ccc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)cc1	812383525	OUOAUDNQPZRGLV-GOSISDBHSA-N	408.502	3.544	10	20	HHCD	
Cc1nc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)ccc1-c1ccccc1	810358777	LSEYLKYOYSMZTE-UHFFFAOYSA-N	414.509	3.694	10	20	HHCD	
C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2F)C1)c1ccc(N2CCOCC2)cc1	727478478	STULSYADBDPEKK-VGOFRKELSA-N	413.493	3.506	10	20	HHCD	
COc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1OCC(F)(F)F	729550905	BSHDRTKFFIAVPS-UHFFFAOYSA-N	400.353	3.672	10	20	HHCD	
CN(C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)Cc1ccccc1	726088107	ZKAZEGSAJOYNDK-NRFANRHFSA-N	407.514	3.870	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(CN4CCCC4=O)cc3)CC2)cc1	726695238	ODIZGOPLBIQQII-UHFFFAOYSA-N	422.529	3.608	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(C)n(Cc4ccccn4)c3C)CC2)cc1	726563810	SIVVELSQRIPIFK-UHFFFAOYSA-N	418.541	3.956	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1cc(Br)ccc1F	733900229	WDMSKPIOKDRTFF-UHFFFAOYSA-N	411.343	3.505	10	20	HHCD	
Cc1c(CNC(=O)Nc2cc(F)c(F)cc2N2CCOCC2)n(C)c2ccccc12	492911352	KRFHQWTYPCXFLA-UHFFFAOYSA-N	414.456	3.923	10	20	HHCD	
COc1ccccc1C/C(C)=C/C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	736195501	HTNWVZJDAXYGCZ-KNTRCKAVSA-N	408.542	3.709	10	20	HHCD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1	735682500	VSIUSHVLOQEJOO-AZUAARDMSA-N	405.608	3.880	10	20	HHCD	
CCOc1cccc(CN[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1O	738438979	HPVSKSAJJSZWQB-JOCHJYFZSA-N	404.510	3.808	10	20	HHCD	
COc1ccc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl	732917174	FZLJPZOVRWAIGA-QAPCUYQASA-N	401.938	3.901	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCCC(=O)N2Cc3ccccc3C2)C2CC2)cc1	732474492	PCFKDKSJXSCERF-UHFFFAOYSA-N	420.557	3.749	10	20	HHCD	
CN(CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1ccc(N2CCOCC2)cc1	738300627	ZCMCCOOPZACLOY-JOCHJYFZSA-N	415.603	3.920	10	20	HHCD	
CCOC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	915688614	TYWTXIRRCCAPKJ-UHFFFAOYSA-N	412.490	3.756	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1	747757929	ZSGJZEKJQHECOR-UHFFFAOYSA-N	400.356	3.731	10	20	HHCD	
C[C@@H](C1CC1)N(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CC1	914841005	BGEVYUBJEDFEIP-LBPRGKRZSA-N	404.422	3.773	10	20	HHCD	
CC(C)(C)CNC(=O)c1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	743338235	BHERPNZTALSOLW-OAQYLSRUSA-N	424.541	3.990	10	20	HHCD	
CCOc1ccc([C@@H]2NC3(CCCC3)C(=O)N2c2ccc(OC)c(OC)c2)c(O)c1	747441736	YTUVZLORTLPCJY-OAQYLSRUSA-N	412.486	3.756	10	20	HHCD	
Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970822	DPKAOHPTYGGFDK-UHFFFAOYSA-N	421.516	3.811	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c(F)c1	917850264	XLHLWBKUKSSIPX-UHFFFAOYSA-N	407.404	3.551	10	20	HHCD	
Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	918245819	GRCNTABGPQPMNF-UHFFFAOYSA-N	424.726	3.732	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1	914577119	GXZUFQTZNZGZQK-UHFFFAOYSA-N	404.513	3.945	10	20	HHCD	
CCOCCCN1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[C@H](C)C1	745826397	ALOXILMWACWDPV-NFBKMPQASA-N	418.626	3.810	10	20	HHCD	
Oc1ccccc1CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3	748307215	JMSPFCVBCYRKAX-UHFFFAOYSA-N	410.543	3.720	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCSC2(CCCCC2)C1	751081404	BWTVJUAKCUOSFP-UHFFFAOYSA-N	407.555	3.624	10	20	HHCD	
Cc1cc(CCNCc2ccccc2OCC(=O)N(C)C)c(C)n1-c1ccccc1	920175309	BXSMCXDRKFLAOQ-UHFFFAOYSA-N	405.542	3.893	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)c1ccccc1	759588893	PCXOKCDIADNPKN-ZISLFAKRSA-N	417.461	3.754	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)c1nccs1	756448657	RPESNEQOWQAIOR-UHFFFAOYSA-N	403.401	3.622	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CCN1Cc1ccccc1	759585206	QJVDJUHWLLMRKF-WMZOPIPTSA-N	404.605	3.978	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(Br)sc2C)c1	751318348	MTOYSSPJZLDVOU-MRVPVSSYSA-N	406.323	3.573	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC[C@@H]1Cn1cnc2ccccc21	756729328	VMXHSAKJTMYHNZ-OAHLLOKOSA-N	401.561	3.849	10	20	HHCD	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	751783751	VSFORGVFXXIOLS-DYESRHJHSA-N	411.521	3.874	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	755268291	GXDNHDJHAFMUFP-PKTZIBPZSA-N	413.537	3.702	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN(C)C2CCN(C(=O)c3ccccc3)CC2)c1O	750045676	VGWMGZKVWJZTBM-UHFFFAOYSA-N	400.906	3.985	10	20	HHCD	
Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1C	751993018	DLBMZUFSGIVDOO-UHFFFAOYSA-N	401.532	3.584	10	20	HHCD	
CC(C)[C@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccnc1	751612092	MOXQSUBQFUNWEG-QHCPKHFHSA-N	410.562	3.529	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2ccccc2OC(F)F)cc1	752759564	NMMDJVIGQSPJII-UHFFFAOYSA-N	419.472	3.523	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4nccnc4c3)c2C)cc1F	759817594	GZDPCYTUKQMLML-UHFFFAOYSA-N	418.428	3.920	10	20	HHCD	
CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1	751795643	CTSWSYYRSSXQDL-LJQANCHMSA-N	416.566	3.801	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(N2CCOCC2)cc1	769061132	DLZAFBGEQQGOEH-QGZVFWFLSA-N	424.501	3.867	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccc(I)c1	760545789	PWNCTQJIZCVIMP-UHFFFAOYSA-N	408.283	3.525	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cccc(CN2CCCC2)c1	761001750	ZISPVFGSZDFBFS-UHFFFAOYSA-N	413.905	3.606	10	20	HHCD	
C[C@@H](NC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1	761240457	RUAOXDZEPZAXRV-OAHLLOKOSA-N	415.921	3.939	10	20	HHCD	
CCOc1cccc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1O	769203761	PZRGAMOKCUNIQR-INIZCTEOSA-N	401.482	3.964	10	20	HHCD	
O=C(CN1CCCC[C@H]1c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	762635820	VPAQYZUPIQVVQC-QFIPXVFZSA-N	411.521	3.506	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(I)c1	760319418	LJUHMWWWXCEBFO-UHFFFAOYSA-N	408.283	3.558	10	20	HHCD	
C[C@H](NS(=O)(=O)/C=C\c1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1	768811380	DHDOEKKYNNTMRJ-MBSJSRAVSA-N	406.935	3.828	10	20	HHCD	
CN(Cc1ccc([S@](C)=O)cc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	769506586	YJVJYYJAEXXANB-NDEPHWFRSA-N	401.532	3.955	10	20	HHCD	
COC(=O)[C@@H](CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C)Cc1ccncc1	1116025681	QTBHSWJYRSNMKF-HXUWFJFHSA-N	405.498	3.559	10	20	HHCD	
COc1ccc(Nc2cc(NCc3ccc(N4CCOCC4)cc3)ncn2)c(OC)c1	766934174	MPUKZBGYQVDQGT-UHFFFAOYSA-N	421.501	3.686	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H]1CCCCN1Cc1ccc(F)cc1	765763584	DVYWTAWDOVYHDK-GOSISDBHSA-N	421.310	3.965	10	20	HHCD	
COC(=O)C(C)(C)[C@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	771633425	URIDWMJXXASKGL-KRWDZBQOSA-N	411.498	3.740	10	20	HHCD	
Cc1nn2cc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)cnc2c1Cl	776083343	PZBFWXGVVDGZFJ-UHFFFAOYSA-N	423.882	3.755	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C(F)(F)F)c1	773849484	VHNFJDCZCFJSJL-LBPRGKRZSA-N	409.408	3.596	10	20	HHCD	
CS(=O)(=O)Cc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	770543430	HJWFSIHNGKNIPK-UHFFFAOYSA-N	403.504	3.742	10	20	HHCD	
CC[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1cc(Br)ccc1O	775524546	BUAIMHUGUOIIHG-MRXNPFEDSA-N	410.333	3.725	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2c(C)cc(C)cc2Br)c1	770261344	VIZHVTNTLVOZER-GFCCVEGCSA-N	421.291	3.596	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCCC[C@@H]1C1OCCO1	775675228	URSGFQRQBQROCL-CYBMUJFWSA-N	421.129	3.645	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	782836520	AYWMJASJNAQWOY-HUUCEWRRSA-N	416.453	3.978	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cc(C)c4ncccc4c3)CC2)cc1	784496906	YXECULVCDOJDIY-UHFFFAOYSA-N	404.558	3.854	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)ncn2C)c1ccc(N)cc1	783484595	FNDMLXWWGKOSSU-INIZCTEOSA-N	413.481	3.888	10	20	HHCD	
C[C@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cc(Cl)cc(F)c3O)c2)C1=O	793608237	WKPWNSVGYZNHCM-OAQYLSRUSA-N	417.868	3.699	10	20	HHCD	
CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1	795555131	RKOVXUDRTBRXGE-UHFFFAOYSA-N	420.512	3.926	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)Cc3cc4ccccc4[nH]3)cc2F)CC1	1322418646	OPPUECUFZCMOFD-UHFFFAOYSA-N	423.536	3.791	10	20	HHCD	
Cc1cc(-c2nnc(CN3C(=O)[C@H]4CCCC[C@H]4C3=O)o2)c(C)n1-c1ccccc1	1322093305	LSBZDEPBOLPNPD-HDICACEKSA-N	404.470	3.819	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NC2CC2)c(C)n1-c1ccc(Br)cc1	14365265	LRANJQRDSPKIJO-ZDUSSCGKSA-N	405.292	3.681	10	20	HHCD	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc(=O)n(C)n4)n3)c2C)cc1	15651475	NVAFVKVGOIRFMW-UHFFFAOYSA-N	419.510	3.872	10	20	HHCD	
Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1-c1ccc(OC(F)F)cc1	16374921	ANNDVYKWAFNQED-UHFFFAOYSA-N	419.457	3.992	10	20	HHCD	
CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(CC(=O)O)C1=O	59180641	BLEBKUVVBZWDRA-KPKJPENVSA-N	416.318	3.524	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)NCc2ccc(N3CCSCC3)cc2)C1	108011229	GYLGZPRCLXUCKW-BGYRXZFFSA-N	418.651	3.797	10	20	HHCD	
COc1ccc(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)c(F)c1	445564378	OJNNSEIFKCBFGY-UHFFFAOYSA-N	409.442	3.691	10	20	HHCD	
Cc1ccc(Cc2nnc(NC(=O)N3CCOc4cc(N(C)C)ccc43)s2)cc1	542954245	DUWAROSDKPCNFM-UHFFFAOYSA-N	409.515	3.934	10	20	HHCD	
COc1cc(CNCc2cc(-c3ccccc3)ccc2O)ccc1OCC(=O)N(C)C	725849415	HEQVOMOONPJLFR-UHFFFAOYSA-N	420.509	3.825	10	20	HHCD	
CCc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	726247446	UBAVRIGUTWTAEX-JTSKRJEESA-N	409.530	3.970	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccco1	726708029	FNABWUYWSMLLTA-NRFANRHFSA-N	414.550	3.639	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCCc3nc(C)cs3)CC2)cc1	727175623	XNTWTQQOPXICBK-UHFFFAOYSA-N	402.564	3.751	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c1O	729556639	ZJKNOXCGWGDDAT-UHFFFAOYSA-N	404.316	3.925	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1nc(C)cs1	729596901	FOFXFWFVUYDSMM-IBGZPJMESA-N	402.564	3.611	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(C(=O)NC(C)C)c(C)c3)CC2)cc1	731282980	SDSYLSALYSKMAQ-UHFFFAOYSA-N	424.545	3.932	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(CC(=O)N3CCCC3)CC2)cc1F	731363810	AUBDUZKLAJZMRA-UHFFFAOYSA-N	418.557	3.606	10	20	HHCD	
Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN(C)Cc2ccccc2O)cc1	731842805	GMZAZAJIYDJTIR-UHFFFAOYSA-N	417.509	3.701	10	20	HHCD	
COCC1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	732779707	ZLBDDMHVTKZVLF-FOWTUZBSSA-N	424.613	3.615	10	20	HHCD	
CCOCCOc1ccc(Br)cc1CNCc1cccc(OC)c1O	733901008	XOFTWEIFTJAOJK-UHFFFAOYSA-N	410.308	3.868	10	20	HHCD	
CCCCCCn1nc(C(=O)NCc2cc(OC)ccc2O)c2ccccc2c1=O	734014894	JYDZOLYDTHOJMS-UHFFFAOYSA-N	409.486	3.621	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c(Cl)c1Cl	743050580	UZRSOEBVZQQIIJ-UHFFFAOYSA-N	419.315	3.660	10	20	HHCD	
O=C(OCc1ccccc1)N1CCO[C@H](c2nc(-c3ccc(O)c(O)c3)cs2)C1	743052187	GGHNKSQKNNGONG-IBGZPJMESA-N	412.467	3.931	10	20	HHCD	
Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nnn1-c1ccc(F)c(Cl)c1	743719882	YKGDWUXGERFDMY-UHFFFAOYSA-N	414.868	3.883	10	20	HHCD	
O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)Nc1ccc(N=Nc2ccccc2)cc1	744349232	DJYZYZBDAFJYSI-QCFAMHMHSA-N	418.453	3.593	10	20	HHCD	
CCCC(O)(CCC)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905833	RNRKPSUHQHIYEB-MRXNPFEDSA-N	413.509	3.887	10	20	HHCD	
CCOC(=O)c1c(C)[nH]c(C(=O)CN(Cc2ccco2)Cc2ccccc2O)c1C	746751092	HSYULMHKPSGPMX-UHFFFAOYSA-N	410.470	3.992	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3c(-c4cccnc4)noc3=O)c2C)cc1C	749357852	JWIVQJPUQMMAOY-UHFFFAOYSA-N	402.454	3.806	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(C)(C)CS(C)(=O)=O	750543604	YUYJRIPXFBYDFI-UHFFFAOYSA-N	410.561	3.504	10	20	HHCD	
COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F	751360541	IRQPKMKGYBLXNG-INIZCTEOSA-N	414.477	3.511	10	20	HHCD	
COc1ccc(N(C)CC(=O)NCc2ccc(F)cc2C(F)(F)F)c(OC)c1	752111210	MRJLUHRGSCSQFN-UHFFFAOYSA-N	400.372	3.614	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C[C@H](C)Cc3ccccc3OC)CC2)cc1F	753739839	ZAASQJPGMUJMDE-QGZVFWFLSA-N	400.494	3.760	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3ccc(Br)cc3O)cn2)CCO1	756428826	BTYIIBCSVKJUKU-UONOGXRCSA-N	406.324	3.626	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cc(F)cc(F)c1O	756432297	PLISRUWTUPTVIN-CABCVRRESA-N	424.513	3.942	10	20	HHCD	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1	758445392	AKCLPSRFMKXRFS-UHFFFAOYSA-N	418.541	3.936	10	20	HHCD	
COc1cc(N2CCN(C(=O)C3(c4cccc(C)c4)CCC3)CC2)cc(OC)c1OC	759222002	VSTWKSHNWHALEL-UHFFFAOYSA-N	424.541	3.791	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2C[C@H](O)C[C@H]2C)sc(C)c1-c1ccccc1	761105528	OEDGLFNAFHGREM-RHSMWYFYSA-N	416.543	3.684	10	20	HHCD	
O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCCc1ccc(O)c(O)c1	762260845	AEAFGFDSBQDRFL-UHFFFAOYSA-N	417.531	3.582	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3cccc(Br)c3)C2=O)c1	763729456	GIJHIOZDLNASIP-PXAZEXFGSA-N	405.292	3.619	10	20	HHCD	
CCc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc(N3CCOCC3)cc1)CCC2	764357457	XYLRUUMUWUEXHK-LJQANCHMSA-N	414.575	3.761	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3nc(Br)sc3C)CC2)cc1	764470270	GQISWQAQCSTINK-UHFFFAOYSA-N	410.337	3.621	10	20	HHCD	
CC(C)Oc1cncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	765386691	VKWZYZPQTCCHHL-UHFFFAOYSA-N	405.445	3.869	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NC2CCN(Cc3ccncc3)CC2)C1	765991691	FTWLGLIZBMIYTP-QFIPXVFZSA-N	414.981	3.659	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)CCCC(F)(F)F)c(C)n1-c1ccc(F)cc1	766672922	CSAIIKHDOGCREG-UHFFFAOYSA-N	406.401	3.635	10	20	HHCD	
O=S(=O)(NCc1ccccc1O)c1cc(Br)c(Cl)cc1Cl	770251587	CQTLFDGSOMJXJA-UHFFFAOYSA-N	411.104	3.940	10	20	HHCD	
COc1ccccc1COC1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1	770278576	AEVMPADASDHSMS-UHFFFAOYSA-N	411.546	3.960	10	20	HHCD	
COc1ccc(N2CCN(Cc3cc(Br)c(OC)s3)CC2)cc1F	770303973	ZOVNUOSTZZPRIQ-UHFFFAOYSA-N	415.328	3.989	10	20	HHCD	
COc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ncccc12	771282212	PEGMCOJHQXDLPW-MRXNPFEDSA-N	406.486	3.963	10	20	HHCD	
COc1ccc([C@H](C)NC(=O)Cc2noc(-c3ccc(-n4cccc4)cc3)n2)cc1	771721940	BAIACRLMKHYSCG-INIZCTEOSA-N	402.454	3.956	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(N(C)C)cc1	773628253	PTALKGCRGASIDQ-BXWFABGCSA-N	404.555	3.758	10	20	HHCD	
Cc1ccc(S(=O)(=O)CCCN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	774679954	NBWFJLSIUYPNBH-FQEVSTJZSA-N	403.544	3.546	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cc(-c3cccnc3)nn2CCO)c1C	775115227	IKELZTMGPLPFIN-UHFFFAOYSA-N	415.497	3.906	10	20	HHCD	
CC(C)C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	775193768	BFMIMUNZHRVGGN-CVDCTZTESA-N	423.557	3.604	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c(C)c1O	775292315	YBAAECWFUFUZLW-UHFFFAOYSA-N	415.265	3.789	10	20	HHCD	
OCCCN(Cc1cc(Br)cc(Br)c1O)CC(F)(F)F	775678686	IELQZZJXKHPJGY-UHFFFAOYSA-N	421.051	3.664	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1	776862146	QVWLXNWEKKJHGM-HZPDHXFCSA-N	409.958	3.694	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1SCCc2ccccc21	777825874	AKHCXZFYELYAPC-IBGZPJMESA-N	405.903	3.578	10	20	HHCD	
COc1ccc([C@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)C(F)(F)F)cc1	780406647	QPHKMIBGIFTWRK-FQEVSTJZSA-N	409.452	3.613	10	20	HHCD	
Cn1ccnc1[C@H](NCc1ccc(N2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1	780763405	BGIGKDLYPJHYKU-OAQYLSRUSA-N	423.542	3.761	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(c2ccccc2)CCC1	785821531	NRSAODQTHUHIGC-UHFFFAOYSA-N	407.558	3.728	10	20	HHCD	
Fc1cc(CNCc2cc3ccccc3[nH]2)ccc1N1CCN(c2ncccn2)CC1	788508584	ZYOQWLSQMQDMQI-UHFFFAOYSA-N	416.504	3.713	10	20	HHCD	
CCc1c(NC(=O)NCCc2ccc(O)c(O)c2)cnn1-c1cccc(Cl)c1	792488082	LMFJGGSNXKVZEM-UHFFFAOYSA-N	400.866	3.864	10	20	HHCD	
COC(=O)Cn1ncc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C	793852838	ZSQQKRQYUUVDAR-UHFFFAOYSA-N	400.866	3.678	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)Cc1ccc(C)cc1F	795129328	LTLFWHJLGGGYEX-UHFFFAOYSA-N	416.312	3.954	10	20	HHCD	
CCN(Cc1ccncc1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803677519	PSJNDTJFAZAOFJ-UHFFFAOYSA-N	408.546	3.515	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccccc2F)cc1F	804851436	CCXAOTOVCYRVTJ-OAHLLOKOSA-N	403.473	3.647	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3nccn3-c3ccccc3)CC2)cc1	806068764	PHUOBRCKKNAGBG-SFHVURJKSA-N	419.529	3.910	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2ccc(OCC(F)(F)F)cc2)c1O	809688819	PVANRSVNHSRTFA-UHFFFAOYSA-N	400.353	3.882	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(OC)c3ncccc3c2)cc1	815371131	JROKTFJNPUOBGY-UHFFFAOYSA-N	420.513	3.687	10	20	HHCD	
CC(=O)c1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	821739603	KVGDEFZDBQWNIE-UHFFFAOYSA-N	414.373	3.825	10	20	HHCD	
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	916677064	OAGCXPQLTVMGGD-OAQYLSRUSA-N	423.513	3.841	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl	917927860	IRHJZKNOMBTFPI-UHFFFAOYSA-N	410.923	3.704	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1nn(-c2ccccc2)c2c1CCC2	918234568	FCHXEISTBRMJAG-UHFFFAOYSA-N	415.541	3.961	10	20	HHCD	
O=C(CSCc1ccc(F)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	919969175	XWPRTZOWPLREEX-UHFFFAOYSA-N	402.535	3.584	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc(N(C)C)cc1	1330234258	FNPQOKQYQRLRII-UHFFFAOYSA-N	420.351	3.995	10	20	HHCD	
C/C=C(/C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830739884	FAEYONJVPBXFTH-UDTCEQKLSA-N	420.937	3.951	10	20	HHCD	
Cc1nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c(=S)n1-c1ccccc1	7317483	LFCXXCUPGHHFDW-UHFFFAOYSA-N	409.559	3.638	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1	27156786	VJOLFGZZZTVWLI-UHFFFAOYSA-N	405.498	3.603	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3[nH]nc(C(C)C)c3Br)CC2)cc1	111161456	GYQUUQIZIYEDHZ-UHFFFAOYSA-N	421.339	3.657	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)cc1Cl	409516642	XLZHQFMACQEZAR-UHFFFAOYSA-N	417.314	3.656	10	20	HHCD	
COc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1OCc1cccnc1	139987223	OITAQYVWESPFTG-UHFFFAOYSA-N	419.525	3.796	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)ccc21	195738989	VBLOUAPLQNSNIT-UHFFFAOYSA-N	421.928	3.862	10	20	HHCD	
C[C@H](NC(=O)NCCCCOc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	140961408	SNBHOTVZJGZVLA-SFHVURJKSA-N	415.509	3.882	10	20	HHCD	
CCCN(Cc1ccc(C)cc1)C(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	804316299	AOCTVTVSPROMKJ-UHFFFAOYSA-N	423.557	3.527	10	20	HHCD	
CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807289045	HFORXMVQAPRCJR-HSZRJFAPSA-N	419.569	3.857	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(S(=O)(=O)C(F)F)cc1	807835874	BGBFBDHIOUMAKY-UHFFFAOYSA-N	410.225	3.625	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)c1	806792444	NNJGPLPXUQGLFL-SNVBAGLBSA-N	407.348	3.961	10	20	HHCD	
Cc1ccc([C@H]2CCCCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)o1	807291763	NAMRXHXNGZTYHE-OAQYLSRUSA-N	407.514	3.724	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1	802300708	USSGFDPGNRNTMS-QZTJIDSGSA-N	405.539	3.961	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1	807754240	ZMKPQHJNIOICGF-GOSISDBHSA-N	420.513	3.584	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21	807291537	YCRKZABUSXOYIR-DEOSSOPVSA-N	415.537	3.748	10	20	HHCD	
Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nc(-c2cnn(C)c2)cs1	800925823	NQKFAPPTCCDTBB-UHFFFAOYSA-N	402.423	3.672	10	20	HHCD	
O=C(C1CCC(OC[C@H]2CCCO2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1	815860615	TWPWWHWQBVNBCZ-QZRMGYTESA-N	417.546	3.654	10	20	HHCD	
CC[C@@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1ccc(C(F)(F)F)cc1O	810226170	VKCFUCKOAZEOAQ-LJQANCHMSA-N	423.479	3.943	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c([N+](=O)[O-])c1	817954506	YHWPQGJXWVFAHG-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCCOC2=O)cc1	814302869	KVCSTVVSYXMPID-LJQANCHMSA-N	408.546	3.636	10	20	HHCD	
O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(Cc2ccccc2O)CC1	812809993	OTCPEVGOWFQPLH-VWLOTQADSA-N	415.537	3.568	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC=C(COC)CC1	812093410	BDFYLJYXCQDIOP-UHFFFAOYSA-N	421.545	3.782	10	20	HHCD	
COCCOc1cccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1	727177225	XVOSBQCVULQCSR-ATVHPVEESA-N	408.589	3.501	10	20	HHCD	
O=C(CSCc1ccccn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726567855	UNMAJVVJUMRSMZ-UHFFFAOYSA-N	407.486	3.701	10	20	HHCD	
Cc1cc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)c(C)n1-c1cccc(C(C)C)c1	727389372	SZIBJOFQVVZXHO-UHFFFAOYSA-N	407.518	3.755	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)cc1	727938972	VIHQQVQXWLELEO-UHFFFAOYSA-N	411.485	3.620	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3nc(O)c4ccccc4n3)ccc21	728458266	HXRKYFXFCBKRJZ-UHFFFAOYSA-N	418.497	3.826	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N[C@@H]3CCCC[C@@H]3C)ccc21	728636803	AYDHNNHESQHQQS-MGPUTAFESA-N	400.519	3.756	10	20	HHCD	
CC[C@@H]1CCCCN1CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	733351583	KIYPMNLNFMOIDN-CMKODMSKSA-N	420.573	3.503	10	20	HHCD	
CC(C)(C)c1ccccc1NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	738884040	CNJASUMULFBULY-UHFFFAOYSA-N	415.559	3.541	10	20	HHCD	
S=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)Nc1ccc2c(c1)OCO2	735238276	MCLPVXUQRGLRKE-UHFFFAOYSA-N	410.543	3.756	10	20	HHCD	
O=S(=O)(Cc1ccc(F)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742335247	ZEZYOZJRXJTIJU-INIZCTEOSA-N	414.449	3.516	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)n2)s1	749737728	KIOMTYXTDIKOIE-UHFFFAOYSA-N	410.546	3.529	10	20	HHCD	
CCOc1cc(C)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	918308579	MOMCAIBELJARSK-UHFFFAOYSA-N	409.530	3.981	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)[nH]1	914966124	JOZIEVHIRBORJN-CQSZACIVSA-N	416.433	3.591	10	20	HHCD	
O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	912754009	FEAXZQWZYBBVKW-GZTJUZNOSA-N	422.397	3.838	10	20	HHCD	
Cc1cc(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c(C)n1-c1ccccc1	917569814	WJZSJDILCDHVBL-UHFFFAOYSA-N	403.236	3.844	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC[S@@](=O)C(C)(C)C)cc1	741412059	KNZMUTDDNZENJN-MUUNZHRXSA-N	405.564	3.605	10	20	HHCD	
CC(C)c1ccc(OCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	921282856	RBJLKGFDWZERHT-OAQYLSRUSA-N	423.557	3.597	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1	754154945	DMLAIIRVAJGFRI-HNNXBMFYSA-N	401.438	3.585	10	20	HHCD	
C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)cc(Cl)c1O	756711595	LMLKTQHNQOZCBH-HQJQHLMTSA-N	415.637	3.622	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](C)c3cccc(-n4cccn4)c3)CC2)cc1F	753918301	KTGINCPFKZJNFF-QGZVFWFLSA-N	423.492	3.613	10	20	HHCD	
CC(C)[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N1CCSc2ccccc21	759591012	BSSFOOMHYAPNQJ-IZUALYBUSA-N	413.495	3.818	10	20	HHCD	
O=C(N[C@@H]1COc2c(Cl)cccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	757813530	GTZUWKSVOOHQRN-MAUKXSAKSA-N	402.878	3.870	10	20	HHCD	
Cn1c(Cl)nc(Cl)c1CN[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	752264258	MAAJOCLQGQDTMV-ZDUSSCGKSA-N	403.741	3.840	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccc3nonc23)c1	753923560	LUTTZHOFNHKAJT-UHFFFAOYSA-N	408.411	3.510	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cc3ccccc3o2)cs1)c1cnn([C@@H]2CCOC2)c1	751587000	BBILTTWRQXWMGV-CYBMUJFWSA-N	416.484	3.515	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCCOc3ccc(C(C)=O)cc3)CC2)cc1F	753738906	MURICRSCYSQAFK-UHFFFAOYSA-N	414.477	3.545	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(C)CCN(Cc2ccccc2)CC1	753778655	HDTWIKFAUSUIAR-UHFFFAOYSA-N	421.585	3.784	10	20	HHCD	
COC(=O)c1oc([C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1C	751946004	VCWDJEODJYSXAD-GFCCVEGCSA-N	400.456	3.922	10	20	HHCD	
COc1ccc(N(C)CC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1Cl	757857865	RALKXAPXTUBBAX-UHFFFAOYSA-N	410.301	3.535	10	20	HHCD	
COc1c(Br)cccc1CNCc1ccc(N2CCOCC2)c(F)c1	752266374	QDVWLXDJHPIQKM-UHFFFAOYSA-N	409.299	3.723	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)c1	764998485	BUJCOPVNWJSTFI-UGSOOPFHSA-N	419.319	3.928	10	20	HHCD	
C[C@H]1C[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccsc2S1	765978268	NLBPSNVQNVHRQI-KSSFIOAISA-N	408.614	3.698	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)CC(F)F)c(C)n1-c1ccccc1Br	760678164	OVTXBHZAHYNPKL-GFCCVEGCSA-N	401.251	3.603	10	20	HHCD	
CCc1ccc(CS(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	768818498	YCBFRJPWFZGKPH-CALCHBBNSA-N	420.550	3.621	10	20	HHCD	
CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1	769209909	ONEFNULIAPVNIJ-KBPBESRZSA-N	413.356	3.680	10	20	HHCD	
CCOc1ccc(N(CC)Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)cc1	766864396	OBLZSPJLUAWEBQ-UHFFFAOYSA-N	409.412	3.967	10	20	HHCD	
CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccncc1	769907271	JHHBWIYZDGOOKA-INIZCTEOSA-N	417.512	3.531	10	20	HHCD	
CCS(=O)(=O)C1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	767379052	PTFRTWUMXLPQLT-UHFFFAOYSA-N	422.978	3.716	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)c2C)cc1	764463936	AILJLVSFOWYRCK-CJFMBICVSA-N	422.617	3.543	10	20	HHCD	
C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C)c1ccc(N2CCOCC2)cc1	765331500	GKSVSLLTLXDLNS-HOTGVXAUSA-N	402.926	3.640	10	20	HHCD	
CCN(CC)C(=O)COc1ccc(NCc2cc3c(cc2O)OCO3)cc1Cl	770489112	DESZSAAEZZUSOS-UHFFFAOYSA-N	406.866	3.634	10	20	HHCD	
COc1c(Br)cccc1/C=C1/SC(=S)N(Cc2ccon2)C1=O	773900616	RTMSEAAHOOCUSY-KPKJPENVSA-N	411.302	3.847	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@H]1CCN(C)C1=O	772230307	INUGZMPNSGZKCP-SJLPKXTDSA-N	419.447	3.776	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc3oc(=O)n(CCN(C)C)c3c2)cc1F	777495574	YTCOVMYDZSPAQO-UHFFFAOYSA-N	400.498	3.754	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3ncc(C(C)(C)C)o3)cc2F)C[C@@H](C)O1	776340930	KEPXYVYUKLOPJQ-IYBDPMFKSA-N	417.525	3.974	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F	777794721	QFRYIXPFZCEADA-KRWDZBQOSA-N	407.530	3.935	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1O	774907911	IUIBWDPKUBSQRY-CQSZACIVSA-N	405.882	3.841	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCCC1)c1ccc(N(C)C)cc1	789756439	RBRRUYZNGIRGOK-QGZVFWFLSA-N	411.521	3.697	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3ncc(Br)cc3c2)c1	780937750	YIPPEHIVFFPOJU-SNVBAGLBSA-N	402.248	3.598	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	781459961	JOOGQMPQDXJNLR-QGZVFWFLSA-N	405.502	3.900	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccc(F)cc2)CCCC1	789754808	GSTUNIGRHDCHSV-UHFFFAOYSA-N	412.505	3.898	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C	792228186	DMCXWYMCSCJUDE-UHFFFAOYSA-N	410.301	3.631	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(C(C3CC3)C3CC3)C2=O)cn1	790107727	JQDQOIOCFXNRTE-LFIBNONCSA-N	403.573	3.554	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c(F)c1	795605769	JAJZTYSBPBXDBS-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
Cc1c(C(=O)Nc2c(Cl)ccc3nonc23)nnn1-c1cccc2cccnc12	1323484439	WCDZUAIAOATSIQ-UHFFFAOYSA-N	405.805	3.566	10	20	HHCD	
COc1ccccc1[C@H](CNCc1ccc(N2CCN(C)CC2)c(F)c1)OC(C)C	1321283626	JNJKBHVJWKJYGK-DEOSSOPVSA-N	415.553	3.842	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc4cnn(C(C)C)c4nc3C)CC2)cc1	110353910	BXPRAOAQHHSHGW-UHFFFAOYSA-N	407.518	3.728	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](CNC(=O)C(C)C)C3)c2C)cc1	726170011	URCDRJNIIISVMK-LJQANCHMSA-N	411.546	3.727	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=S)Nc3ccc(Cl)nc3)cc2F)C[C@@H](C)O1	727077198	FDCBBTMAOUQHDJ-BETUJISGSA-N	408.930	3.974	10	20	HHCD	
COc1cccc(CCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1OC	731049051	YYOBXSVBQJCDIQ-UHFFFAOYSA-N	411.546	3.982	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c(C)n1-c1cccc(Cl)c1	732560079	JUMCMTJYYIEOQL-INIZCTEOSA-N	413.827	3.641	10	20	HHCD	
C[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	733098142	XNDJNWJWYNLRRW-HNAYVOBHSA-N	414.468	3.754	10	20	HHCD	
CC[C@H](C(=O)NCCCSc1nccs1)n1nnc(-c2ccc(Cl)cc2)n1	733883943	HUHFVOAPEFTIOZ-CQSZACIVSA-N	422.967	3.700	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1	734935555	YWJOBYLWZARTGX-UHFFFAOYSA-N	410.495	3.829	10	20	HHCD	
CC(C)COc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cn1	735191231	OHCQBNYDQJOXJJ-UHFFFAOYSA-N	423.469	3.583	10	20	HHCD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	735762916	SEWISXSABPHIGY-SLYNCCJLSA-N	404.551	3.924	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](CSc2ccccc2)C1	743561273	ZUOUAKBIDFRXNJ-HXUWFJFHSA-N	411.571	3.847	10	20	HHCD	
C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1Cc1ccccc1	743622977	CGWIHGCRZBIHGF-NRFANRHFSA-N	404.558	3.869	10	20	HHCD	
COc1ccc(N2CCCN(Cn3sc4nc(C)c(C)c(C)c4c3=O)CC2)cc1	744433106	USVSCOOYYQODNT-UHFFFAOYSA-N	412.559	3.562	10	20	HHCD	
CC(C)[C@H](CNC(=O)N(Cc1ccccc1O)C1CCCCC1)N1CCOCC1	745426680	LZBHZVMBTIHKJD-NRFANRHFSA-N	403.567	3.593	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)c1O	745483996	XCNREKFSYOIJGE-ROUUACIJSA-N	411.546	3.878	10	20	HHCD	
C[C@H](c1ccccc1)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1	746115201	POFNNGOFDQEHTG-GOSISDBHSA-N	411.521	3.504	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)CS(C)(=O)=O)c(C)n1-c1ccc(C(C)C)cc1	747075831	NJKCBROVYZIXFC-OAHLLOKOSA-N	419.543	3.624	10	20	HHCD	
CC1CCC(N(C)C(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1	751930922	KLSJHUUCLMGBGC-UHFFFAOYSA-N	401.532	3.510	10	20	HHCD	
COc1cc(Br)ccc1CCCNC(=O)NCc1cccc(OC)c1O	753386679	VITXKCPEADQHSR-UHFFFAOYSA-N	423.307	3.604	10	20	HHCD	
Cc1ccc(-n2ncc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2C(F)(F)F)cc1	753635099	BMPFPDVTWYDNST-ZDUSSCGKSA-N	419.403	3.972	10	20	HHCD	
Cc1sc(Br)cc1S(=O)(=O)NCCCSc1nccs1	756169191	GQWNAOYNMSWADF-UHFFFAOYSA-N	413.409	3.736	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(c3ccc(Cl)nc3)C1=O)OCO2	758818576	GWSXNGACUFLZJM-RZNTYIFUSA-N	406.872	3.878	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(Cc1ccccc1)CC(F)F	759569598	PSYGKAHIGAUDCJ-UHFFFAOYSA-N	421.463	3.764	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(COCC(F)(F)C(F)F)c1	761618893	AAILDUDRLWXGOZ-UHFFFAOYSA-N	416.371	3.879	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)c1	761980374	BMSFMBRINNURJO-MRXNPFEDSA-N	417.527	3.673	10	20	HHCD	
COc1cccc(C(C)(C)CNC(=O)NCc2cccc(Br)c2O)c1	764800715	QZULCABJHNIJRO-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(N2CCCCC2)c(F)c1	765347617	DSSORYFGQSGHRE-SFHVURJKSA-N	419.566	3.586	10	20	HHCD	
Cc1c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1CC(C)C	766529991	KJCMVLSFJGVNNA-IYBDPMFKSA-N	417.529	3.922	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCOCC2)cc1Cl	766605196	SBWXAVVPLVRFKB-SJLPKXTDSA-N	405.970	3.618	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1	769290899	LDPVCENKPLPHDM-UHFFFAOYSA-N	422.522	3.661	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(OCC(F)(F)F)c3)CC2)cc1F	770189285	CPWYDPKJFKCYCZ-UHFFFAOYSA-N	412.383	3.738	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(F)c(Br)cc1C	770744023	JTUSOHMKCCJFQB-UHFFFAOYSA-N	422.298	3.526	10	20	HHCD	
Cc1cc(CC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c(C)n1-c1ccc(Cl)cc1	770915022	QVZXDLZCVAJHLJ-DENIHFKCSA-N	402.922	3.744	10	20	HHCD	
CCC(CC)n1ccc(CSCC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1	771111228	TYMQLFPRGZJSHN-UHFFFAOYSA-N	416.591	3.835	10	20	HHCD	
C[C@@H](NC(=O)/C=C\c1ccc(I)o1)c1ccc(N(C)C)cc1	773001412	UFRVOYRVXGTACP-UCQJPZFISA-N	410.255	3.841	10	20	HHCD	
CC(C)C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1nccs1	773147768	GPIBOHIGELZDCT-YJBOKZPZSA-N	420.554	3.823	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1	773741554	KLSJRJFDZBLHOW-ZBFHGGJFSA-N	411.527	3.671	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1	773743655	GCPYYUVKCXIHIC-HXOBKFHXSA-N	421.493	3.848	10	20	HHCD	
Cc1nc2ccccc2c(C)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	773976619	BOSMEKKYHXHBKB-UHFFFAOYSA-N	403.526	3.990	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1	774923852	NCPPDLAMZHQZOK-HNNXBMFYSA-N	421.463	3.997	10	20	HHCD	
C[C@](O)(CNCc1cc(Br)cc(Br)c1O)c1cccs1	776208890	JOUXBEXTSDBFPS-AWEZNQCLSA-N	421.154	3.976	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cnc(Br)c(C)c3)CC2)cc1	783099333	BCVXUIUTHMLPNV-UHFFFAOYSA-N	419.323	3.905	10	20	HHCD	
CCCc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)n(C)n1	783487174	VLZRQISDARKGNO-INIZCTEOSA-N	405.502	3.688	10	20	HHCD	
Cc1nc(COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)sc1C	785412653	KMLCTBCFKHKTDS-UHFFFAOYSA-N	424.525	3.685	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc([C@@H]4C[C@H]4C)o3)cc2)CC1	787330382	VUQJHEIOMKTDNN-DYESRHJHSA-N	409.530	3.572	10	20	HHCD	
CC(C)C[C@]1(CO)CCCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	788744599	UQFHVJIIRYHZND-IXFSTUDKSA-N	421.557	3.522	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1	790673441	OPAJELTVUOIEDJ-QGZVFWFLSA-N	417.575	3.887	10	20	HHCD	
CCOc1ccc(NCc2cc(C)c(C)cc2O)cc1S(=O)(=O)N1CCCC1	796395987	JKPVYOJQKUYYNY-UHFFFAOYSA-N	404.532	3.804	10	20	HHCD	
CC(C)(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(=O)c1ccccc1	799411292	LEAUYZMXQPNMTI-UHFFFAOYSA-N	412.505	3.968	10	20	HHCD	
COCCO[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	801004210	ZIKHZBUDAJMKFK-JOCHJYFZSA-N	403.567	3.793	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1cc(-c2ccccc2)on1	801548869	UVUADGVEVDPXIY-UHFFFAOYSA-N	407.470	3.606	10	20	HHCD	
Cc1cccc(C(C)(C)CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	803702376	LZBZXNZFDUCLPY-UHFFFAOYSA-N	420.509	3.916	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1)c1ccc(N(C)C)cc1	804542966	OWJPECWKYTWLAE-HARLFGEKSA-N	407.558	3.848	10	20	HHCD	
COCC(C)(C)CCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	804970496	XNGJBJCFYWDBTL-CALCHBBNSA-N	409.546	3.691	10	20	HHCD	
Cc1ccc(F)c(CN(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	805022820	FHBFOXDHMXSOLS-UHFFFAOYSA-N	411.521	3.645	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)cc2)CC1	806766149	NOKIDMIXXAWXAP-IEBWSBKVSA-N	413.484	3.625	10	20	HHCD	
C[C@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	807274447	RCMGOKNLZVJOLP-AWEZNQCLSA-N	408.951	3.836	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](Cc1ccccc1OC)C(C)C	808335161	RQGXWVJSSUISTA-FQEVSTJZSA-N	412.530	3.523	10	20	HHCD	
Cc1noc([C@@H]2CCCN2Cc2cc(Br)cc(Br)c2O)n1	809721058	LWZLBNANKBUIHP-LBPRGKRZSA-N	417.101	3.946	10	20	HHCD	
COc1cc(O)c(CN2CCCC[C@H]2COC(=O)NC2CCCCC2)cc1OC	809780029	IKCSQLNYKQPFIM-SFHVURJKSA-N	406.523	3.823	10	20	HHCD	
COCC[C@@H]1COCCN1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	813159369	ZSOJQTHKSMHSOZ-FUHWJXTLSA-N	409.958	3.523	10	20	HHCD	
C[C@@H](NS(=O)(=O)Cc1ccc(C(F)F)cc1)c1ccc(N2CCOCC2)cc1	815001000	SDHVCVHVXSHRSH-OAHLLOKOSA-N	410.486	3.641	10	20	HHCD	
CO[C@@H]1CCC[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1	815710871	XWCMQCLERONYSM-MISYRCLQSA-N	419.566	3.640	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COCCc1ccccc1	819519103	NYPZLLXBDBXEGZ-UHFFFAOYSA-N	412.530	3.634	10	20	HHCD	
O=C(NCc1cc(Cl)ccc1O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1	857547780	TWSDIQLDIUUPTG-UHFFFAOYSA-N	413.827	3.992	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)c(C)n1-c1ccccn1	914903934	VLEMPXBGNNFCOK-GOSISDBHSA-N	403.482	3.619	10	20	HHCD	
CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCSCC3)cc2)cc1	916027783	MUBBPNRRAMYUNN-UHFFFAOYSA-N	415.584	3.903	10	20	HHCD	
CC(C)Cc1nnc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	916668717	IUWIVWQVWHSUBI-KBPBESRZSA-N	421.542	3.811	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N[C@@H](C)c3ccccc3Cl)CC2)cc1	917089912	OOFYCLSWSSQVQZ-KRWDZBQOSA-N	401.938	3.738	10	20	HHCD	
Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc(C)c1Cl	917240278	YXEAUPIAAQVOAM-UHFFFAOYSA-N	406.885	3.628	10	20	HHCD	
C[C@@H]1CN([C@H](CNCc2ccc3c(c2)CCO3)c2c(F)cccc2Cl)CCO1	917395642	WXHYBXUCQRDVAA-FOIQADDNSA-N	404.913	3.966	10	20	HHCD	
Cc1cccc(Oc2ncccc2NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1C	918245715	CIRUIXADCDFGJU-UHFFFAOYSA-N	418.497	3.812	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)SC2=S)CC1	920473219	MEUNHTLOEVJUML-CYVLTUHYSA-N	401.601	3.972	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	920870238	OBSLPRZYRZMXSX-KRWDZBQOSA-N	402.560	3.860	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC3CCC4(CCOCC4)CC3)CC2)cc1	1319016985	RNKXNLLWNYOMBU-UHFFFAOYSA-N	401.551	3.703	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCCC(=O)N1CCN(c2ccccc2)CC1	1320133565	PZWLBPKEXQJCRR-PZJWPPBQSA-N	407.558	3.968	10	20	HHCD	
O=C(/C=C\c1ccc(I)o1)Nc1c(Cl)ccc2nonc12	1332620189	AXSVSCHESQULNK-KXFIGUGUSA-N	415.574	3.726	10	20	HHCD	
CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1	1826242414	WHUMEFXWHUCXPV-QGZVFWFLSA-N	420.937	3.785	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(C2CC2)nc2ccccc12	7099077	RVLMRDARRGOVRX-UHFFFAOYSA-N	417.509	3.994	10	20	HHCD	
Cc1cc2occ(CC(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c2cc1C	19060914	BIBWEXZIQJTCRB-UHFFFAOYSA-N	408.498	3.860	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]1c1ccc(Br)cc1	109772865	OJVXTDBPRFHBNP-PMACEKPBSA-N	415.331	3.706	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1)C1CCCCC1	303061659	LYUHVFISDDZUJM-SIKLNZKXSA-N	401.576	3.526	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)ccc21	472441719	BRTACFYNSGEUCV-UHFFFAOYSA-N	405.498	3.785	10	20	HHCD	
O=C(NC1CCN(CC(F)(F)F)CC1)N(Cc1ccco1)Cc1ccccc1O	726249724	ZUVNTDIPLLBDHU-UHFFFAOYSA-N	411.424	3.724	10	20	HHCD	
CCOC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1	727251100	VIESZQIZXGTFTI-UHFFFAOYSA-N	406.460	3.927	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F	727375593	HFVGUHGJBFDAFF-HXUWFJFHSA-N	403.473	3.647	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC1CCOCC1	727976330	KFQANIFHMXJGPQ-UHFFFAOYSA-N	424.364	3.720	10	20	HHCD	
COCCc1noc(CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)n1	728928519	XFQRSAMDQAIMQX-VMPITWQZSA-N	407.470	3.750	10	20	HHCD	
O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NCc1ccc(N2CCOCC2)cc1	729338848	ZCOQOFJJLCDZPE-UHFFFAOYSA-N	411.889	3.691	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1O	729558990	KTLFDICIQVJBAE-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2sccc2S(=O)(=O)C(F)F)cc1	730964703	XGGPQYOEZYLYFS-UHFFFAOYSA-N	402.488	3.521	10	20	HHCD	
CC(C)N(C)c1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	731754807	GACBSQNFZHKLGC-IBGZPJMESA-N	423.561	3.555	10	20	HHCD	
CC[C@@H](Sc1ccccc1)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	732064782	ZEPZCFAVSJHXDM-JOCHJYFZSA-N	413.587	3.504	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNc1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl	734482691	SOHUDNCNXUDGEH-UHFFFAOYSA-N	408.893	3.749	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1	740070971	XELGFWUZUGYZBU-UHFFFAOYSA-N	404.555	3.696	10	20	HHCD	
O=S(=O)(Cc1ccccc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742334845	URXPXYZWSDLBJX-OAHLLOKOSA-N	414.449	3.516	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC(NC(=O)C3CC3)CC2)cc1)C1CCCCC1	742758646	GNYUAVPCXMZVDL-UHFFFAOYSA-N	412.578	3.656	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1	742807630	NOZCXBSMHIZCPR-HDICACEKSA-N	410.514	3.521	10	20	HHCD	
CN1C(=O)C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)[C@@H]1c1cccc(Cl)c1	743719639	MUJNTBRIUICAHQ-AVRDEDQJSA-N	412.917	3.760	10	20	HHCD	
CCCC(=O)N1CCC[C@@H](C(=O)N(CC)Cc2cc(Br)ccc2O)C1	743807764	FQYJRERAZBBOFD-CQSZACIVSA-N	411.340	3.542	10	20	HHCD	
O=C(NCCOc1ncccc1C(F)(F)F)NCc1ccc(N2CCCC2)cc1	746714928	PKJDJDNJZJMURS-UHFFFAOYSA-N	408.424	3.579	10	20	HHCD	
C[C@@H](CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)N(C)Cc1ccccc1	746758881	ZJPXDAQZQBXVKX-LEWJYISDSA-N	424.589	3.794	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCC(=O)N(C)C3CCCCC3)cc2)CC1	748666844	RDMVYAYLKGSELK-UHFFFAOYSA-N	400.567	3.513	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3cc(F)cc(F)c3)cc2F)C[C@H](C)O1	748827835	UGVXNSCOCSSKGV-GJZGRUSLSA-N	421.463	3.759	10	20	HHCD	
CC[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1ccccc1F	748978419	YMCCHQSDDOUHBT-HXUWFJFHSA-N	415.509	3.661	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCN1C1CCCC1	749255484	CKOOHBMIEWAAEZ-OXJNMPFZSA-N	407.505	3.780	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(-c4nccc(C)n4)cc3)CC2)cc1F	753883423	KUBHJYLHRMHTFE-UHFFFAOYSA-N	421.476	3.954	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCc3nc(C(C)(C)C)cs3)CC2)cc1F	753903279	UIHQSHWPHNCUEK-UHFFFAOYSA-N	420.554	3.663	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](c3ncc(C)s3)C3CC3)CC2)cc1F	753941326	RWPHQHCMEVTNKL-SFHVURJKSA-N	404.511	3.582	10	20	HHCD	
C[C@H](CSc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	755200325	JPCABMYKWYSALL-OAHLLOKOSA-N	406.498	3.846	10	20	HHCD	
C[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)cc(F)c1O	756355028	FWDFQVLYCXYKBF-YOEHRIQHSA-N	423.326	3.845	10	20	HHCD	
C[C@H](NC[C@H](CO)Cc1ccc(F)cc1)c1cc(Br)c(F)cc1O	756459953	QKEBTASFVDWXNG-WCQYABFASA-N	400.263	3.935	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CN1Cc1ccccc1	757624085	TTZLEVNXFWSODP-UGKGYDQZSA-N	424.614	3.702	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1[N+](=O)[O-]	757675079	FEQKFXGPMCYYLO-CYBMUJFWSA-N	409.364	3.734	10	20	HHCD	
COc1cccc(C2=CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)C2)c1	758366517	VPPBXJYJTWMLFM-UHFFFAOYSA-N	409.555	3.857	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCNC(=O)C2)c(C)n1-c1cc(Cl)cc(Cl)c1	761212029	GOZOZYOXZFJTLO-CYBMUJFWSA-N	423.296	3.653	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)ccc21	763565827	NFXPNFZOKXSYTJ-IBGZPJMESA-N	413.562	3.722	10	20	HHCD	
COc1ccc(N2CCN(CCCNC3CCN(C4CCCCC4)CC3)CC2)cc1	764676689	SPOBEBFRFXXYFC-UHFFFAOYSA-N	414.638	3.594	10	20	HHCD	
CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2cccc(Br)c2O)c1	764763493	WNFYBZCONGBLNO-NSHDSACASA-N	406.280	3.674	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@](C)(O)c3cccc(Cl)c3)CC2)cc1	765883031	OREGICALLQPRKL-QFIPXVFZSA-N	417.937	3.524	10	20	HHCD	
Fc1cccc(Cl)c1CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	768192782	DKOHFSCOWTXYHQ-UHFFFAOYSA-N	403.929	3.634	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cccc4ncccc34)cc2F)C[C@H](C)O1	768521305	ICDVOGHIKNXCGC-IRXDYDNUSA-N	423.488	3.683	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(C4C[C@@H](C)C[C@H](C)C4)n3)CC2)cc1	771057519	OOQYMTZCHKKBHL-IRXDYDNUSA-N	412.534	3.509	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1F	775049801	DMBFUHFKRALJIR-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
Cn1cc([C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)c2ccc(F)cc2)cn1	776196090	FPIJQGISJNOKME-QFIPXVFZSA-N	408.477	3.732	10	20	HHCD	
COC(=O)N1CCC([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1	776862148	QVWLXNWEKKJHGM-JKSUJKDBSA-N	409.958	3.694	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccc3cc[nH]c3n2)NC(=O)OC(C)(C)C)cc1	779523416	BGROSKFFPCJWGL-IBGZPJMESA-N	423.517	3.625	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ncnc4cccc([N+](=O)[O-])c34)cc2F)C[C@H](C)O1	780911064	HSLXMJLKJGWJCS-KBPBESRZSA-N	411.437	3.903	10	20	HHCD	
CSC1(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCC1	787395465	DBWWGFZIHJINGH-QGZVFWFLSA-N	407.580	3.720	10	20	HHCD	
COc1ccc(O)c(CNc2ccc(N3CCN(C)CC3)c(Br)c2)c1	787441001	RFCCXHKXJWTWPX-UHFFFAOYSA-N	406.324	3.527	10	20	HHCD	
O=C(OCCOCC(F)(F)C(F)F)c1cccc2c1C(=O)c1ccccc1C2=O	787566632	TWHJFVSUUBWKCW-UHFFFAOYSA-N	410.319	3.536	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CC1CCC2(CC1)OCCO2	788516927	JFVSXMCWNVKMTL-UHFFFAOYSA-N	412.324	3.827	10	20	HHCD	
C[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1cccc(C(F)(F)F)c1O	788752370	VOYFSUPDQVGVAZ-CQSZACIVSA-N	408.420	3.734	10	20	HHCD	
Cc1cc(C)c(N2CC[C@@H](N(C)Cc3ccc(N4CCOCC4)cc3)C2=O)c(C)c1	789307526	ZMYQTNKEXSRFCF-HSZRJFAPSA-N	407.558	3.686	10	20	HHCD	
O=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1cccc(O)c1O	790618284	IWXBUFQKYCFGBN-UHFFFAOYSA-N	402.450	3.872	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c(F)c1	790640223	ZARSIEZVLOZUPA-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cc(N(C)C)ccc1Br	792701986	KROZZENZZAHYFC-UHFFFAOYSA-N	417.350	3.743	10	20	HHCD	
CCOc1ccccc1Oc1ccc(CNC(=O)NCc2ccc(OC)cc2O)cn1	792813635	ZVNCTXFCWAFBMI-UHFFFAOYSA-N	423.469	3.986	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(I)cc(C)c2C)c(O)c1	794390046	FURQAFGLGRHTIW-UHFFFAOYSA-N	411.239	3.552	10	20	HHCD	
O=C(NCc1c(F)cc(F)c(F)c1F)N(Cc1ccccc1O)C[C@@H]1CCCO1	797520783	LBGHZCVCJXMZLE-ZDUSSCGKSA-N	412.383	3.839	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc(SCc2ccccc2)ns1	797636183	KDZPRUZCRJZXBS-LBPRGKRZSA-N	416.528	3.994	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(O[C@@H]4CCN(C)C4=O)cc3C)CC2)cc1	798938632	HGZAIBCNVUVTDA-HSZRJFAPSA-N	409.530	3.694	10	20	HHCD	
Cc1cc(NC(=O)CNc2ccc(Cl)cc2C(=O)c2ccc(F)cc2)n(C)n1	799967732	MJJBERJMJMLULT-UHFFFAOYSA-N	400.841	3.803	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccc3S(C)(=O)=O)cc2Cl)C1	800047172	HHTSPAYNDYIAEC-OAHLLOKOSA-N	420.962	3.910	10	20	HHCD	
Cc1cc(-c2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2C)c(C)n1-c1ccccc1	800742319	GOSKVHBNLUJEDD-UUOWRZLLSA-N	421.545	3.664	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnn(CCO[C@@H]2CCCCO2)c1C	801546430	PAIMKYIVXJHSFA-JOCHJYFZSA-N	415.534	3.883	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H](O)c1cccc(Br)c1)c1ccc(N(C)C)cc1	801762968	CXSNZKGYTZOMKZ-SCLBCKFNSA-N	406.324	3.609	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O	802303778	RAVILRAOSVOTTA-OAQYLSRUSA-N	409.530	3.813	10	20	HHCD	
COc1cc2c(cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O)NC(=O)CC2	806428372	UAPIKFLMJUMDJW-UHFFFAOYSA-N	410.257	3.914	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1CC	807386747	HMFPMXPJBRGYTE-UHFFFAOYSA-N	405.292	3.534	10	20	HHCD	
CC(C)Oc1ccc([C@H](CNCc2ccc(N3CCOCC3)c(F)c2)N(C)C)cc1	808428395	WBIIAWLBIGFELQ-DEOSSOPVSA-N	415.553	3.842	10	20	HHCD	
Cc1nc(COc2ccccc2C(=O)NCc2cc(Cl)cc(Cl)c2O)no1	813683041	QZCVBFCRXRWMNJ-UHFFFAOYSA-N	408.241	3.899	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)CCS(C)(=O)=O)n2)c(C)n1-c1ccc(F)cc1	915136418	ZKQJDLQCBGKVOP-UHFFFAOYSA-N	421.519	3.730	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1	916678126	KIKHDZPXDYSSAV-NRFANRHFSA-N	410.518	3.972	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)cc1	1340946809	YOFACOHCCWAABT-UHFFFAOYSA-N	410.474	3.530	10	20	HHCD	
CC(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1826304770	CKDUQZHYNWQINV-QGZVFWFLSA-N	408.926	3.641	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(-c2ccc(Cl)cc2)c1	302968510	HPYZVTCCGRJRDK-UHFFFAOYSA-N	424.932	3.664	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCCCc1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1	803169600	IAHRXLGNOYSQHW-OAHLLOKOSA-N	421.463	3.698	10	20	HHCD	
Cc1cc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C)c(C)n1-c1ccccc1	800747662	NPCCPLVBTBGRIW-UHFFFAOYSA-N	420.561	3.584	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(C4OCCO4)CC3)cc2Cl)C1	800719101	GVUFZSIJIKPDID-MRXNPFEDSA-N	421.969	3.871	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(C)c(F)cc3Cl)CC2)cc1	806883585	XKGMMUWJILFENN-UHFFFAOYSA-N	419.884	3.520	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2nnco2)ccc1C	802609890	NQWVXMTVHNTVLJ-UHFFFAOYSA-N	408.458	3.518	10	20	HHCD	
Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)on1	803677048	DTVAFXUIGPNDQL-NRFANRHFSA-N	424.545	3.732	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NCc1cc(Cl)cc(Cl)c1O	807837888	FEGXTBJIIXRHGJ-LLVKDONJSA-N	413.248	3.864	10	20	HHCD	
Cc1cc(-c2nnc(N3CCC(O[C@@H]4CCOC4)CC3)n2C)c(C)n1-c1ccccc1	800731877	YYYGFVJCTSLATF-OAQYLSRUSA-N	421.545	3.664	10	20	HHCD	
COc1ccc(CN(Cc2ccc3ccccc3c2O)[C@@H]2CCS(=O)(=O)C2)cc1	816490190	NTUCZYPJWGTNEK-HXUWFJFHSA-N	411.523	3.743	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnc4c(F)ccc(F)c4c3)CC2)cc1F	815773540	RBNKOOSSFWECON-UHFFFAOYSA-N	401.388	3.623	10	20	HHCD	
CCOC(=O)Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)[nH]c2ccccc12	816910940	XFUUPTYBUPJRLI-UHFFFAOYSA-N	405.498	3.586	10	20	HHCD	
C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cc(Cl)c(F)cc1O	816574558	MBGGYBYTGDXYIX-CYBMUJFWSA-N	412.914	3.918	10	20	HHCD	
O=S(=O)(NC1CCN(Cc2ccc3ccccc3c2O)CC1)c1cccs1	816483379	QHSQRRHISXEMPZ-UHFFFAOYSA-N	402.541	3.550	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cc1	727861333	RLFFMJLYLHRRFQ-RVDMUPIBSA-N	409.579	3.596	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)NCc3cccs3)ccc21	728637570	NNPNBBBNAWVAMQ-INIZCTEOSA-N	414.527	3.828	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(-c3ccncc3)ccc2C)c1	729061967	MRYABAXKTLQCLY-OAHLLOKOSA-N	405.454	3.587	10	20	HHCD	
COc1ccc(N(CC(=O)N2CCc3cc(OC)c(OC)cc3C2)C(C)C)cc1F	725816328	QEGIRAXSDNMHCM-UHFFFAOYSA-N	416.493	3.651	10	20	HHCD	
O=C(Nc1cccc(-n2cccc2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	737111251	UXGKJQNXTPWPOH-UHFFFAOYSA-N	415.449	3.943	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1	730119735	OMIJSLFMFYMVSJ-SFHVURJKSA-N	402.489	3.889	10	20	HHCD	
CCOC(=O)Cc1cccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	738961111	SPTCVKCUAUQNOR-UHFFFAOYSA-N	411.502	3.591	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(c4ncc(C)s4)CC3)c2C)cc1	735816043	ZTYNSJMLAKBRLG-UHFFFAOYSA-N	410.543	3.830	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cccnc2-n2ccnc2C)cc1	919780199	QUQNLTHEKXRAMO-UHFFFAOYSA-N	406.534	3.764	10	20	HHCD	
CC(C)(C)c1ncc(/C=C/C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	749405169	DJLUVDUBWOWUJB-FNORWQNLSA-N	417.550	3.870	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C(N)=O)cc2F)cc1	747550400	LOPCRCGJGBQANW-UHFFFAOYSA-N	410.449	3.818	10	20	HHCD	
O=C(CCN(Cc1ccccc1O)C[C@H]1CCCO1)N[C@@H]1CCCc2ccccc21	749294975	AHEGZCHBEXCFAT-FYYLOGMGSA-N	408.542	3.957	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C2CC2)cc1	918456969	XAFKXZSFRAOHQZ-UHFFFAOYSA-N	405.420	3.901	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccccc2N2CCOCC2)cc1	744887655	UMGVWNLAQMXTAS-UHFFFAOYSA-N	410.562	3.711	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1[N+](=O)[O-]	917709122	DQMOWHYMEUIUBR-HUUCEWRRSA-N	401.438	3.586	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c1C	747917115	XAUFIMDRFYKKCM-NRFANRHFSA-N	410.539	3.918	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1	915297021	WAKNVTMMDNWGSU-UHFFFAOYSA-N	409.511	3.886	10	20	HHCD	
O=C1N[C@@H](c2cc(-c3ccccc3)ccc2O)Nc2ccc(N3CCOCC3)cc21	749703027	WTIWUUQXXHPOCV-QHCPKHFHSA-N	401.466	3.750	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1F	743665323	JUJCIVGBONJLBN-SJLPKXTDSA-N	422.545	3.774	10	20	HHCD	
CCSc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccn1	919692986	WAXYLRRHJZESFV-HUUCEWRRSA-N	403.523	3.876	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cnc4ccccc4c3C)cc2F)CC1	748709449	OUQJKZYLDYHJMS-UHFFFAOYSA-N	406.505	3.754	10	20	HHCD	
CCN(Cc1ccncc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	918222274	UYPFGUHRYAKDKO-CALCHBBNSA-N	400.498	3.566	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3nc(C(F)(F)F)[nH]c4ncnc3-4)cc2F)C[C@@H](C)O1	917086486	KUOXFHUICGPWOX-PHIMTYICSA-N	424.402	3.688	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)n2)c(F)cc1F	749009285	DYWYVJUBQQNCFL-UHFFFAOYSA-N	423.466	3.605	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1F	746864364	GEBMMPOCCRBXKZ-INIZCTEOSA-N	416.472	3.591	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1	740647494	BXVRXGBDJHVSAA-UHFFFAOYSA-N	424.513	3.729	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)ccn2)NC(=O)OC(C)(C)C)cc1	742752791	HEENPSXUJCCOQE-GOSISDBHSA-N	418.925	3.797	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(Cl)c2cccnc12	749729944	GCYNJYUMBAKKKW-UHFFFAOYSA-N	406.920	3.582	10	20	HHCD	
CCCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	741080416	JHDORQXJKIRLKQ-XYEHWOGUSA-N	415.578	3.819	10	20	HHCD	
CC[C@H](NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)s1	754334234	PGOVHIDMDUUDPF-MJGOQNOKSA-N	424.010	3.634	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccccc1)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751946420	ZNIIDJSDFSWUPA-IBGZPJMESA-N	410.495	3.647	10	20	HHCD	
CN(Cc1cccc(F)c1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751058786	KYKPESIBKNLFLT-UHFFFAOYSA-N	420.487	3.666	10	20	HHCD	
CCOc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(OCC)c1OCC	753640966	WQAWDVRTEDJGGK-AWEZNQCLSA-N	403.475	3.655	10	20	HHCD	
CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCC[C@H](C)C1	751945991	UOEINNIFYQEUCW-MGPUTAFESA-N	415.559	3.756	10	20	HHCD	
CSc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)nc1	751067138	SXDHBAUFAWDTEM-UHFFFAOYSA-N	421.525	3.624	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)cc1	756457972	IQQKEYRZJYAXFJ-KRWDZBQOSA-N	416.587	3.950	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC3CCC(N4CCCCC4)CC3)CC2)cc1	751111394	WCKZSHSGRKIVRO-UHFFFAOYSA-N	414.594	3.714	10	20	HHCD	
COc1ccc(-c2noc([C@@H](C)N(C)Cc3ccc(N4CCOCC4)cc3)n2)cc1	764143713	UNOVMFQHJCFUGU-QGZVFWFLSA-N	408.502	3.775	10	20	HHCD	
Cc1ccc(Cl)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	762415977	LHTKGLOXFDQEFU-INIZCTEOSA-N	402.878	3.500	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(O)c(Br)c2)c(C)n1-c1ccccn1	768294176	VTDZIXDEIWEHOT-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc([N+](=O)[O-])c2cccnc12	765735972	JMXXDTPYMRFADC-UHFFFAOYSA-N	402.204	3.541	10	20	HHCD	
Cc1nn2cc(S(=O)(=O)N(Cc3ccccc3O)C3CCCC3)cnc2c1Cl	766819167	QHURYEFKWLMYEB-UHFFFAOYSA-N	420.922	3.530	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2cnnn2)cc1	766238719	XUFOHFIZIPCSBV-NVXWUHKLSA-N	414.460	3.583	10	20	HHCD	
C[C@@H](NCc1ccc(I)cc1)c1ccc(N2CCOCC2)cc1	775258163	RXKUTDZBYMXHHE-OAHLLOKOSA-N	422.310	3.979	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2cc(Cl)cc(F)c2O)C(C)C)cc1	775680217	DRVSPJGWOBHFBV-GOSISDBHSA-N	424.900	3.793	10	20	HHCD	
Cc1ccc2[nH]c3c(c2c1)C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)CC3	779020955	VQPPOCKXGQSPFS-WOJBJXKFSA-N	416.569	3.825	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c1O	779036720	QTGAJLSFXYVMJI-GDIGMMSISA-N	411.384	3.882	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](c2ccc(F)cc2F)C1	777453797	RMKBYIOWEWKHOF-NRFANRHFSA-N	401.457	3.848	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)cc1	772475380	RPTFYRRYLHRAIL-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
CC[C@H](C)n1nc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C	776043067	VYBXOLPTDOOWCJ-KRWDZBQOSA-N	411.550	3.750	10	20	HHCD	
CCCN(C(=O)c1cccs1)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779537363	OOCSXUHNMREXJL-VURMDHGXSA-N	414.527	3.716	10	20	HHCD	
CC(C)C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCO1	776896557	OIHDDQIUVTULKT-PIKOESSRSA-N	421.557	3.832	10	20	HHCD	
CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788913259	WMKGFBGVVIGBLL-ISKFKSNPSA-N	419.569	3.979	10	20	HHCD	
Oc1ccccc1CN(Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C[C@@H]1CCCO1	782949820	MWPSLOXRBJKAMW-SFHVURJKSA-N	416.884	3.947	10	20	HHCD	
COCN1C(=O)CCc2cc(NCc3cc(Br)cc(C)c3O)ccc21	789562011	HZTSKJAZIVCYET-UHFFFAOYSA-N	405.292	3.958	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(C)c(Cl)c3F)CC2)cc(OC)c1OC	788767961	HPJDESXBHJARCB-UHFFFAOYSA-N	422.884	3.776	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1Cc1ccc(F)cc1	784810377	CSQDHJBLTSOBNF-UHFFFAOYSA-N	407.493	3.558	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1-c1ccc2c(c1)OCCO2	792642414	HXBZMAXLQZXZNN-UHFFFAOYSA-N	421.478	3.520	10	20	HHCD	
CC[C@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	793100276	BIYPMQXTRGXKBV-MAUKXSAKSA-N	416.484	3.736	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3ccccc3-n3ccnn3)cc2F)C[C@@H](C)O1	796695127	NVRAFPIFWVMRGU-FGTMMUONSA-N	409.509	3.871	10	20	HHCD	
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	799739954	SIIRAPRHGCTEMU-IBGZPJMESA-N	403.567	3.650	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(Br)cn1	792951483	GMARSNZGGMBMCX-ZDUSSCGKSA-N	403.324	3.787	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccco4)C3=O)c2C)cc1F	16401631	QHZATUPMQWOLNC-HSZRJFAPSA-N	423.444	3.785	10	20	HHCD	
COc1ccc(N(CCOc2cccc(S(C)(=O)=O)c2)Cc2ccco2)cc1F	303862673	UDDDEWKLLGGDQI-UHFFFAOYSA-N	419.474	3.916	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)sc2c1CCCCC2	302995926	YJUNDDFURNJXAB-ZDUSSCGKSA-N	404.532	3.533	10	20	HHCD	
Cc1c(CNC(=O)NCc2nnc(CCc3ccccc3)o2)n(C)c2ccccc12	503379506	ZKRPHTNWRJYLFK-UHFFFAOYSA-N	403.486	3.654	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccn1Cc1cccs1	195641101	BIHAIAMDONPQBZ-UHFFFAOYSA-N	413.518	3.628	10	20	HHCD	
COC(=O)c1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)oc1C	237074511	QJMGMOBCKPGCMM-UHFFFAOYSA-N	412.408	3.520	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCNS(=O)(=O)c1ccccc1Cl	802658058	GRHJZEXHGLIJRR-UHFFFAOYSA-N	424.950	3.543	10	20	HHCD	
COc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)c1OC	804460353	JHLHFPZSPJHEPR-KRWDZBQOSA-N	418.921	3.766	10	20	HHCD	
CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800636523	KPBQPTFUTMLBSG-CYBMUJFWSA-N	418.925	3.690	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CS[C@H](C)C(=O)Nc1cc(C)on1	801549350	KVUBUPZQVOBTFC-OAHLLOKOSA-N	405.520	3.578	10	20	HHCD	
CC(C)n1nccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800636299	ISXWWWPRKFXMIQ-HNNXBMFYSA-N	417.941	3.609	10	20	HHCD	
Cc1cc(-c2nnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)n2C)c(C)n1-c1ccccc1	800742318	GOSKVHBNLUJEDD-MHECFPHRSA-N	421.545	3.664	10	20	HHCD	
Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3O)n2Cc2ccccc2)n1	812053348	SRZUCLTVLZZFLJ-UHFFFAOYSA-N	402.502	3.530	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1	726625523	JBQSRTQKPOQMBH-LZYBPNLTSA-N	418.452	3.723	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@@H](c2cccc(F)c2)C1	727475870	CXUOYZMHPUAARD-OAQYLSRUSA-N	415.534	3.662	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2ccco2)c(C)n1-c1cccc(Br)c1	725883686	GHSLMBZCWUWQBC-QGZVFWFLSA-N	403.276	3.913	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(NC(=O)NC(C)C)c3)CC2)cc1	726563631	PKHFNDOSMYSJRY-UHFFFAOYSA-N	410.518	3.624	10	20	HHCD	
Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)c(O)c2O)ccc1Br	727005034	DGCQMPKQAYQCQE-LLVKDONJSA-N	408.248	3.661	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1	916504878	IOKQNSMMAQLHAU-UHFFFAOYSA-N	403.473	3.637	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccsc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	917949817	MFNCKQGUFOMGHX-HJWRWDBZSA-N	417.442	3.719	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	917926834	MVCLKDLXGRKUPO-UHFFFAOYSA-N	409.895	3.668	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1	918460537	BGWXWKXUDOHGPV-UHFFFAOYSA-N	409.530	3.804	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1	746238120	VIDVDEFMCSKABF-UHFFFAOYSA-N	401.551	3.796	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)n1-c1cccc(Cl)c1	919970055	MPYRQNOBAZIMNM-UHFFFAOYSA-N	403.891	3.647	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1	743182027	XLVOKBFOJGHPSI-UHFFFAOYSA-N	404.536	3.534	10	20	HHCD	
Cc1noc(C)c1CSCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	917711409	SPJOZDVBNCITDO-ZIAGYGMSSA-N	421.538	3.594	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4F)o3)cc2)C1	917832872	IZZBBFWSTIUJRD-QGZVFWFLSA-N	421.472	3.717	10	20	HHCD	
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	915702145	UOZNNUSGBAKZNU-UHFFFAOYSA-N	422.529	3.844	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1F	746866875	URTNCJXQWHPMBW-AWEZNQCLSA-N	424.303	3.868	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2F)cc1	918430336	XUSMCWCBEVSBLH-UHFFFAOYSA-N	422.298	3.689	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1	918081884	IBEIUXZVEIUGBK-UHFFFAOYSA-N	400.542	3.945	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)CC2)cc1	741144789	CFQKRRRYDHQQJO-DEOSSOPVSA-N	407.558	3.835	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCc3c(O)ccc4c3CCCC4)ccc2NC1=O	745929453	DZEGEEMBDVJFNI-QKKBWIMNSA-N	423.513	3.941	10	20	HHCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	744014403	OAEVRNNGINDFPY-GXTWGEPZSA-N	420.351	3.890	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)ccc1F	742334221	GQLWDOKJSSLAML-ZDUSSCGKSA-N	418.412	3.514	10	20	HHCD	
COc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)sc(C)c1Br	753640137	KGLZFCAKKIBCEM-QMMMGPOBSA-N	400.294	3.600	10	20	HHCD	
COc1ccc(Br)c(CNC(=O)NCCCSc2nccs2)c1	759568365	MTKXGAWHKDXSMH-UHFFFAOYSA-N	416.366	3.896	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	756710042	SZABUQIKDULMDK-BZNIZROVSA-N	409.364	3.775	10	20	HHCD	
Cc1noc(C)c1[C@H](C)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	754154896	DIRYOTROCRJDHO-JSGCOSHPSA-N	417.465	3.745	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)OC[C@@H]2CCCCO2)c(C)n1-c1cccc(F)c1	921221128	DVRUWXHJHGIRCG-PXNSSMCTSA-N	417.477	3.933	10	20	HHCD	
Cc1cc(C(=O)O[C@@H]2CCN(c3c(F)cccc3F)C2=O)c(C)n1-c1ccccn1	756374501	SVYYVHMHNVDZNL-GOSISDBHSA-N	411.408	3.730	10	20	HHCD	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1OCC	753741475	GNFPRBBPNHGKGU-UHFFFAOYSA-N	402.466	3.594	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C(\C)c3ccc(F)cc3)CC2)cc(OC)c1OC	759241305	WEFBDMFSXAEVLV-DTQAZKPQSA-N	414.477	3.604	10	20	HHCD	
CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	759598390	WRYZYDXHBPSXEN-CHOZFAJLSA-N	409.394	3.630	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Cl)cc1OC(F)F	762663301	DENIJSVVUJRZSS-UHFFFAOYSA-N	424.831	3.781	10	20	HHCD	
C[C@H](N[C@H](CO)CC(F)F)c1cc(Br)cc(Br)c1O	760048696	DGPJGQWOVDCJDL-XPUUQOCRSA-N	403.061	3.584	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1	760808550	MIKJZEAIBVWRTQ-UHFFFAOYSA-N	408.458	3.718	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N3CCC(C)CC3)cc2)cc1	765870934	BLGWPMMUWUJHIV-GOSISDBHSA-N	401.576	3.682	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCC(O)(C(F)(F)F)CC3)cc2F)C[C@H](C)O1	765125492	GDABEHKAPZHPEE-BRMQNCDRSA-N	404.448	3.765	10	20	HHCD	
Cc1ccc([C@@H](C)NC(=O)NCc2cccc(Br)c2O)cc1[N+](=O)[O-]	764790973	LENJLZANVBMEIO-LLVKDONJSA-N	408.252	3.932	10	20	HHCD	
CC[C@@H](C)n1ncc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1C1CC1	760625659	HOEBFSZNDQTXNF-MRXNPFEDSA-N	412.534	3.613	10	20	HHCD	
CO[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1cccc(Cl)c1	761568718	LJSLPYDUEPDOEW-KRWDZBQOSA-N	409.269	3.851	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1	773121117	PPSXYUKCMMPKKE-XMSQKQJNSA-N	411.521	3.504	10	20	HHCD	
COc1cccc(O)c1CNc1ccc(CCn2nnc(-c3ccccc3)n2)cc1	770553827	XYSLBFOQTSRLIX-UHFFFAOYSA-N	401.470	3.909	10	20	HHCD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(Cl)cc(F)c1O	775643622	SXPJSMLJNHOJHC-QGZVFWFLSA-N	423.868	3.864	10	20	HHCD	
C[C@H](NCc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccc(N(C)C)cc1	775833457	JJPGFMUXOCYIBZ-AWEZNQCLSA-N	413.522	3.524	10	20	HHCD	
Cn1cc(CNCc2cccc(Br)c2O)c(-c2ccc([N+](=O)[O-])cc2)n1	775147549	VYQMWSHZYHFASV-UHFFFAOYSA-N	417.263	3.753	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCCCNC(=O)c2cccc(O)c2)c1O	779016493	FZWXARKVFDTQGQ-ZDUSSCGKSA-N	407.308	3.639	10	20	HHCD	
COCc1nnc(-c2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)o1	776300765	FLOLMHBFBGSFNZ-UHFFFAOYSA-N	406.486	3.754	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/c1nc2ccccc2s1	777828990	RYORZHDBHGTCTQ-CMDGGOBGSA-N	416.886	3.870	10	20	HHCD	
Cc1cc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c2[nH]c(C)c(C)c2c1	788913690	YDTOUXCIRQPTOT-UHFFFAOYSA-N	418.541	3.626	10	20	HHCD	
NC(=O)[C@H]1CCC[C@@H](C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	787819471	FACYAYSRPPGYKI-JKSUJKDBSA-N	408.458	3.875	10	20	HHCD	
COC(=O)c1ccc(C)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1	784112930	PZEDWCVBIDAZIC-UHFFFAOYSA-N	409.486	3.526	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cn1	781646261	JTRLFZFHLYOVGA-UHFFFAOYSA-N	420.472	3.621	10	20	HHCD	
CO[C@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1	783561810	CJRBOSRJADHDKK-DSDLTIFZSA-N	424.613	3.757	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1nc2c(s1)CCCC2	789371380	YMCKPCXYQHZMLM-UHFFFAOYSA-N	412.559	3.609	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3c(C(F)(F)F)nn(C)c3Cl)CC2)cc1	1137950974	PFQLTDMGDOOFJO-UHFFFAOYSA-N	402.848	3.813	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)NCc1ccc(OC)cc1O)c1ccccc1Cl	792790438	QZHLOAHWYNTQAB-LJQANCHMSA-N	405.926	3.937	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3cscc3Br)SC2=S)CC1	794681096	RMSWHYVWYYPXMF-WUXMJOGZSA-N	403.392	3.806	10	20	HHCD	
CS(=O)(=O)CC1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	795252400	IOPWZEJSTKYXMI-UHFFFAOYSA-N	414.531	3.797	10	20	HHCD	
C[C@H](O)C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	790703501	ZZUFXFAKVUHFEV-YJBOKZPZSA-N	411.493	3.592	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C/c2c(F)cccc2OC(F)(F)F)SC1=S	790586278	IRNNRZJSMGSQEJ-XFFZJAGNSA-N	409.382	3.790	10	20	HHCD	
CC[C@H](C)NC(=O)CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799888022	IMSCUHKSOXRIEO-CVEARBPZSA-N	408.974	3.680	10	20	HHCD	
Cc1ccccc1OCCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	1337685671	FGWNTCAUNGMMTD-HDICACEKSA-N	400.494	3.833	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sc2ccccc2c1Cl	1342435624	VZJMFRHFTSAIGG-ZDUSSCGKSA-N	419.886	3.870	10	20	HHCD	
CCOC(=O)c1csc(N(C)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1	471111644	GADZEKBUOVUGNN-UHFFFAOYSA-N	415.515	3.814	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)c2C)c1	7370773	IHZUBTIPHKVWOM-SFHVURJKSA-N	408.502	3.937	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(CCN3CCOCC3)CC2)c1C	109529457	UXZUSYTXEZJGKX-UHFFFAOYSA-N	409.574	3.977	10	20	HHCD	
O=S(=O)(NCc1ccccc1O)c1c(Cl)cc(Br)cc1Cl	158577205	FAPQQQKPMVZNOF-UHFFFAOYSA-N	411.104	3.940	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3csc(-c4cccc(F)c4)n3)CC2)cc1	301638848	XJQQIQCHOHIFDN-UHFFFAOYSA-N	411.502	3.849	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC(C)(C)O[C@]4(CCCOC4)C3)ccc21	482827149	GBXBAZBDDCJFNM-XMMPIXPASA-N	414.546	3.705	10	20	HHCD	
COc1ccc(OC)c(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	726483255	UFROSSXWYMLPKK-OAHLLOKOSA-N	401.532	3.588	10	20	HHCD	
CC(C)(C)N1CCC(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	726612389	DVDAKMKIXVBFPJ-UHFFFAOYSA-N	424.536	3.819	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c1	726796981	MUQWUQRBHRITOC-JOCHJYFZSA-N	402.450	3.988	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(O)c1O	727005124	GZMHDMYDTYDPLJ-UHFFFAOYSA-N	407.422	3.781	10	20	HHCD	
COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1	727242342	YHRCWJBNZCLJJA-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1	727984921	APRXDVHDWFFHJF-MESSXYGASA-N	403.592	3.749	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3cccc(OC)c3)ccc21	728637689	OWEVDVWKQCBHAL-UHFFFAOYSA-N	410.470	3.709	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCOc3ccc(Cl)cc3)cc2F)CC1	730193891	GDZSYHWTXNWBSP-UHFFFAOYSA-N	419.928	3.706	10	20	HHCD	
O=Cc1ccc(OCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	731627306	RLQONRFDPSYSKZ-UHFFFAOYSA-N	418.440	3.655	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)Nc2cccc(CSc3ccccn3)c2)c(O)c1O	733477267	YALLJFMIZOWVSR-UHFFFAOYSA-N	424.478	3.889	10	20	HHCD	
CN(C(=O)c1ccco1)c1ccccc1C(=O)NCCCSc1nccs1	733975191	ZMEFWDDFVMMVNC-UHFFFAOYSA-N	401.513	3.925	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1	734701882	MWZLYXLRHZVXOA-UHFFFAOYSA-N	408.527	3.803	10	20	HHCD	
Oc1ccc(Br)cc1CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	734843295	ITMLEINTRIUAFA-GDBMZVCRSA-N	404.226	3.779	10	20	HHCD	
C[C@H]1[C@@H](C)SCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	735682811	YHKOKNGDJCYFTC-UONOGXRCSA-N	417.497	3.577	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	741737014	XMMKFMIHEBUWLJ-UHFFFAOYSA-N	417.937	3.564	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1C	743046651	ITSYVTCOQHTVJR-UHFFFAOYSA-N	402.516	3.963	10	20	HHCD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	743313594	LXXCUQMVWBXEAU-PERKRYKHSA-N	406.542	3.777	10	20	HHCD	
O=C(NCCCc1ccc(O)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745830962	DKNMZAGWSVXCLX-KRWDZBQOSA-N	419.472	3.894	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)nc2)cc1	746594629	FNPZENJNBGGNBZ-SFHVURJKSA-N	418.335	3.732	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)N1CCc2ccccc21	746878297	VDWUDGWLNLLMFJ-KURKYZTESA-N	411.521	3.507	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)c1cc(S(=O)(=O)N2CCC2)ccc1Cl	748699249	YXGVRKUBVWOOMN-UHFFFAOYSA-N	419.934	3.587	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c1O	750817233	KTMJPIYAWOJIBN-HNNXBMFYSA-N	424.476	3.663	10	20	HHCD	
CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	751229130	UPSBLMCNFWIWRH-INIZCTEOSA-N	420.550	3.779	10	20	HHCD	
O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(OCc4ccccc4)cc3O)C2)nc1	753545748	GNZJNFVFMIDBFO-LJQANCHMSA-N	420.469	3.961	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC(C)(CN4CCN(C)CC4)CC3)c2C)c1	754540754	XABUMIBYKGBRKM-UHFFFAOYSA-N	422.617	3.892	10	20	HHCD	
COc1ccccc1N1CC[C@H](N[C@H](C)c2cc(Br)ccc2O)C1=O	756741558	GOGIQXJNFSVLBD-DOMZBBRYSA-N	405.292	3.619	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(F)c4cccnc34)SC2=S)cc1	759117117	KQPRCBKMMAQEMM-YBEGLDIGSA-N	409.467	3.879	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1C	760659674	YHMGMJVMRRATFX-LEWJYISDSA-N	402.560	3.830	10	20	HHCD	
Cc1c(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cccc1C(F)(F)F	761073065	FURCTPPLECXGKV-UHFFFAOYSA-N	405.420	3.651	10	20	HHCD	
CCCn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C1CC1	765648346	UFVRIZIQHBUEJS-HOTGVXAUSA-N	414.525	3.853	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnn(Cc2ccccc2)c1	768916315	PAINPUMDSAOSMC-NRFANRHFSA-N	424.932	3.685	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	769389361	KZARZYYQMLVMIM-INIZCTEOSA-N	411.493	3.856	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nccn3c(Br)cnc23)cc1	769633253	FVYNVGWUTBFIKA-UHFFFAOYSA-N	416.323	3.610	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1	772082027	ZRKGFBFVKWWILE-JOCHJYFZSA-N	415.497	3.994	10	20	HHCD	
CC[C@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(N(C)C)cc1	773000239	NSKNQVDKRYFJLQ-QHCPKHFHSA-N	415.603	3.788	10	20	HHCD	
COc1cccc(O)c1CNC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1	775319165	QSMLTTXHXCVOTK-UHFFFAOYSA-N	408.420	3.814	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@]4(C3)C(=O)Nc3ccccc34)cc2)CC1	777511531	YEZLQYJVKRWHDB-RUZDIDTESA-N	418.541	3.728	10	20	HHCD	
O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCc1ccc(O)c(O)c1	778918552	SEXHGVRKJYEFTH-UHFFFAOYSA-N	416.433	3.955	10	20	HHCD	
CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CCN(C(=O)c2ccccc2)CC1	779482371	YEYDBZDIAVEVIO-LUAWRHEFSA-N	408.498	3.654	10	20	HHCD	
Cc1ccc(CNC(=O)c2ccccc2NC(=O)/C=C\c2ccc(O)c(O)c2)cc1	779494314	XKQQXXGHWLFAHA-QBFSEMIESA-N	402.450	3.988	10	20	HHCD	
CCOC(=O)c1cc(NCc2ccc(N3CCC(CO)CC3)cc2)ncc1Cl	779707287	BWZAHWKVDZBWIQ-UHFFFAOYSA-N	403.910	3.733	10	20	HHCD	
CCN(CC)C(=O)CCC1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	782725964	OYXLSKSDVPMYDJ-UHFFFAOYSA-N	410.562	3.990	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	783712928	OVTVYRBOZXWDEB-UHFFFAOYSA-N	403.485	3.561	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1	784562560	XXLANXFUEPNEIL-UHFFFAOYSA-N	418.493	3.904	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl	785305505	YVBIZRZRFRLLLA-QMMMGPOBSA-N	417.676	3.744	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccccc2)c1	785993400	WUPIJAYRAJJWTJ-UHFFFAOYSA-N	410.857	3.976	10	20	HHCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1ccc(C2CCC2)cc1	786230676	UGGJNMAQXMPPGR-UHFFFAOYSA-N	413.543	3.511	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCN(c2ccccc2)C1	788874785	OAWYDWHEZDAFDL-NRFANRHFSA-N	424.614	3.956	10	20	HHCD	
CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1	788937859	NKVPEKUHLCERCY-UHFFFAOYSA-N	413.949	3.650	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1	793037088	UJXBXRZFEIXGHG-UHFFFAOYSA-N	413.474	3.975	10	20	HHCD	
Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	797022989	WVOPNSLZQKFCGZ-KRWDZBQOSA-N	402.498	3.939	10	20	HHCD	
Cc1nccn1CCCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799882552	VSGSUSCLINSGOS-INIZCTEOSA-N	403.958	3.971	10	20	HHCD	
COC(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1	800048611	GPVLUHNDTWPTCP-AWEZNQCLSA-N	401.894	3.688	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1nc(CN2CCOCC2)cs1	800913800	MZNHSCZRAQJZDV-UHFFFAOYSA-N	404.536	3.515	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1	801618672	VJOLYBWISQMSPK-UHFFFAOYSA-N	411.502	3.699	10	20	HHCD	
C[C@@H](CCC1CCCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	803308747	JHAGJSSYIWVACY-OALUTQOASA-N	415.578	3.566	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	804358903	BIIHUVBTRQWZBP-BETUJISGSA-N	404.398	3.868	10	20	HHCD	
Cc1ccc(C[C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)c1	805179156	SNQRDAMFWAQNCQ-OAQYLSRUSA-N	421.585	4.000	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc(Cl)c1O	806160633	JUBMGPLYSKEILY-QGZVFWFLSA-N	412.914	3.966	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1	807090189	ODAPRYFEWJQHND-QHCPKHFHSA-N	424.541	3.805	10	20	HHCD	
COC(=O)c1cccc(NC(=O)C[C@@H](C)NCc2cc(Cl)cc(Cl)c2O)c1	809776222	ZAPBYTRZVOWFNL-LLVKDONJSA-N	411.285	3.993	10	20	HHCD	
Cc1cc(Br)cc(CNCc2ccncc2OC[C@@H]2CCOC2)c1O	809783444	CWXDIVBFSXROHC-CQSZACIVSA-N	407.308	3.563	10	20	HHCD	
Cc1nnc(CCN[C@H](C)c2cc(Br)cc(Br)c2O)s1	810242914	JANSTAPCVQAABV-SSDOTTSWSA-N	421.158	3.970	10	20	HHCD	
Cc1cc(Cn2nnc(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)c2C)on1	814106879	NYMOKJKKTWHGHN-UHFFFAOYSA-N	422.533	3.630	10	20	HHCD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NCc1ccc(N2CCC(CO)CC2)cc1	815655544	VUJYJGQJCKTQGA-UHFFFAOYSA-N	411.933	3.889	10	20	HHCD	
COc1cccc(C(=O)CCCC(=O)NCc2cccc(Br)c2O)c1	816496232	BFMAUQPTBXEOFZ-UHFFFAOYSA-N	406.276	3.833	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(-n4c(O)nnc4O)cc3)c2C)c1	819787249	JQRXGJXXYGWPSN-UHFFFAOYSA-N	403.442	3.647	10	20	HHCD	
CC[C@](O)(C(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1cccc(Cl)c1	857439479	AMJHOXPTRHMARZ-JOCHJYFZSA-N	402.922	3.685	10	20	HHCD	
Cc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccn1	914848598	ITDHUALZASKVLN-UHFFFAOYSA-N	403.408	3.745	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1	914857615	KOMHXCOQBLIFCZ-UHFFFAOYSA-N	421.585	3.973	10	20	HHCD	
Cc1ccc(CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)o1	915182678	BYXVTQDCJZBNLD-VBKFSLOCSA-N	420.581	3.990	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c2)cs1	915778559	LBQHGIKWZDXBBO-UHFFFAOYSA-N	420.538	3.974	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c[nH]nc1-c1ccc(Cl)cc1	919968886	MZNAVOYDRJTMJF-UHFFFAOYSA-N	424.932	3.869	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	921120966	KXKSLVXOMKFTQS-KRWDZBQOSA-N	402.489	3.699	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccn(C2CCCCC2)n1	1320860054	QTJKTMWDCVNMFY-UHFFFAOYSA-N	401.486	3.686	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCCc4cn(C(C)C)nc43)CC2)cc1	1323972512	ZPHAYRRGHBXLBX-NRFANRHFSA-N	411.550	3.772	10	20	HHCD	
Cc1c(C(=O)Nc2c(Cl)ccc3nonc23)nnn1-c1cccc2cnccc12	1325345137	KGMQFKVHXVZXLK-UHFFFAOYSA-N	405.805	3.566	10	20	HHCD	
O=C(NCCOc1ccc2c(c1)CCC2)NCc1cccc(Br)c1O	1343738945	OFJVCSLEINQROT-UHFFFAOYSA-N	405.292	3.522	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@H](C(=O)N(C)C)C2)c(C)n1-c1ccc(Cl)cc1	1348064244	PGNFRUGAYPSQSQ-KRWDZBQOSA-N	401.938	3.617	10	20	HHCD	
CN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)SC1=S	6574746	YAPZIQCVCHLLCR-XBXARRHUSA-N	409.124	3.748	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)oc2c1C(=O)CCC2	109701453	PCTJXUKCGSYWGW-IBGZPJMESA-N	410.514	3.994	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]1c1ccc(Br)cc1	109772857	OJVXTDBPRFHBNP-WOJBJXKFSA-N	415.331	3.706	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(Cl)c4cccnc34)ccc21	138477208	XXDWKDDROMYSRC-UHFFFAOYSA-N	408.889	3.526	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCN(C4CCCC4)CC3)c2C)cc1	97205588	LOYZSFZQQSGIMN-UHFFFAOYSA-N	423.557	3.624	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)c1OC	804328846	ZOKKDKKQWMVDDR-HXUWFJFHSA-N	412.530	3.900	10	20	HHCD	
O=C(N[C@H](c1ccccc1)C1CCC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	804683328	SPMOLEQHOUXDPY-JTHBVZDNSA-N	422.525	3.557	10	20	HHCD	
CC(C)(C)OC(=O)NC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1	807103119	ZTDBGMYKKXRHMG-UHFFFAOYSA-N	418.321	3.946	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1	802008698	HUQTTWGIUJEECH-HXUWFJFHSA-N	420.561	3.677	10	20	HHCD	
CNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800720583	UXVQLWWQUWABMK-YJBOKZPZSA-N	408.974	3.536	10	20	HHCD	
Cc1cc(-c2nnc(N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)n2C)c(C)n1-c1ccccc1	800742616	XIFGXGZTGFJQEC-PDOGEWKWSA-N	421.545	3.662	10	20	HHCD	
CS[C@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1	807202407	CUFUVHGAIULEMQ-HKUYNNGSSA-N	404.576	3.844	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(C3CC3)n2)cc1	815406460	IUVHMERFZPNLCS-UHFFFAOYSA-N	418.497	3.786	10	20	HHCD	
O=C1/C(=C/c2cnn(-c3ccc(F)cc3)c2)SC(=S)N1CCc1cccnc1	728311896	AOHHHZWYNYCHNU-ZDLGFXPLSA-N	410.499	3.850	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)cc1	729172759	XOALERGZTATGMH-QGZVFWFLSA-N	420.550	3.883	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)c1	728978928	WSDZGULSKIWASV-GFCCVEGCSA-N	416.474	3.616	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)n(C)c2ccccc12	583773464	YPHFYQXGIWRGSD-IEBWSBKVSA-N	407.489	3.695	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1F	731364238	UVBZDKUTMGSYSR-UHFFFAOYSA-N	406.546	3.508	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1	734018629	XWXYKNRMYHULAI-UHFFFAOYSA-N	418.493	3.723	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc([N+](=O)[O-])cc1Br	739730877	JEXJQVOPDYHJCH-UHFFFAOYSA-N	402.295	3.726	10	20	HHCD	
COc1ccccc1CC(C)(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	736196772	VVKZVRIUUHYLFY-UHFFFAOYSA-N	410.558	3.789	10	20	HHCD	
COC(=O)[C@@H](CNC(=O)c1sccc1-n1c(C)ccc1C)Cc1ccc(O)cc1	733151469	YIZPOPUYAILJOG-QGZVFWFLSA-N	412.511	3.623	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3c(nc2O)CCCCC3)cc1	737819888	FEZOOUMIHYHWHV-NRFANRHFSA-N	423.557	3.944	10	20	HHCD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cc2C[C@@H]1C	917897707	HNOLBDOAHOOTTQ-NSHDSACASA-N	403.485	3.501	10	20	HHCD	
C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@@H]1C[C@H]2CC[C@H]1C2	916828512	BXVVLQCBRYVVDJ-BZIRYSOJSA-N	418.449	3.925	10	20	HHCD	
Cc1sc2nc(CCC(=O)NCc3c(O)ccc4c3CCCC4)nc(O)c2c1C	743715940	FTBABUHBPNRXTG-UHFFFAOYSA-N	411.527	3.847	10	20	HHCD	
Cc1cc(C)n(-c2ccccc2NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	915346860	ZNIGVVYZPXVUGE-UHFFFAOYSA-N	419.529	3.990	10	20	HHCD	
Cc1cccn2cc(CC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nc12	742800025	FFKCADARZGIRHW-MRXNPFEDSA-N	414.456	3.572	10	20	HHCD	
COC(=O)[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1	743485726	TXBNBNMFDAAXKD-APWZRJJASA-N	408.420	3.900	10	20	HHCD	
O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(N2CC=CC2)cc1	740915754	SLCGDCMBOUGOHU-UHFFFAOYSA-N	423.904	3.808	10	20	HHCD	
Cc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1Cl	743046820	MDYWVXWSCIJMQU-UHFFFAOYSA-N	403.316	3.960	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(N(C)CC(F)F)CC3)c2C)cc1	742237981	SAKZYXKIBKTVJV-UHFFFAOYSA-N	405.489	3.904	10	20	HHCD	
Cc1cc(C)c(NC(=O)CNC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c(C)c1	917418141	YAGNGPNUSKBNII-UHFFFAOYSA-N	424.589	3.643	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1	744885510	VBVLOFFNLSCFRS-KRWDZBQOSA-N	419.481	3.685	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3cccc(OC(F)(F)F)c3)CC2)cc1	747846678	PWGQXYWSJGMPTC-UHFFFAOYSA-N	408.420	3.922	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCOC3CCCCC3)cc2F)C[C@@H](C)O1	918198388	IMFYYRCDUXUKCY-HDICACEKSA-N	421.557	3.978	10	20	HHCD	
COC(=O)CC1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	743346572	FILSDCVLPMFDOE-UHFFFAOYSA-N	401.551	3.940	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(Br)o2)cc1	758994519	VHNXJYDOZWYLBM-UHFFFAOYSA-N	401.326	3.709	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)cc1	756442607	FJLBWRKJVAJGQP-NSHDSACASA-N	403.331	3.599	10	20	HHCD	
CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1	758164914	VFYQBROHVYVWND-UHFFFAOYSA-N	408.234	3.816	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c2C)c1	754652238	MBKXTHPDOGMSCD-RDJZCZTQSA-N	422.616	3.752	10	20	HHCD	
C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	752180161	KIQUOFDVTJXHFU-MJGOQNOKSA-N	414.550	3.508	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1csc([C@H]2CCCO2)n1	756791350	AWPAEMCCYUOBEW-MAUKXSAKSA-N	421.950	3.748	10	20	HHCD	
CCCn1nc(C)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C	759719471	YSDWLXBQEWVORH-GJZGRUSLSA-N	402.514	3.593	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CN1Cc1ccccc1	757624083	TTZLEVNXFWSODP-KNQAVFIVSA-N	424.614	3.702	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cc(F)cc(F)c1O	756479271	LGMRQQLUFWMWPN-KFWWJZLASA-N	404.457	3.771	10	20	HHCD	
C[C@@H](NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1cc(Cl)ccc1O	756465638	JYVTTYYPZDFYTD-CRAIPNDOSA-N	418.921	3.570	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCN1C(=O)c2ccccc2C1=O	754165686	VUGNYRXXDABAIO-UHFFFAOYSA-N	407.495	3.524	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccnc2-c2ccccc2)C2CC2)cc1	755066603	WGWQWXAMAQWBDU-UHFFFAOYSA-N	414.509	3.944	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@]2(CCc3ccccc32)C1	753043165	QEPHBXNIMWDWSZ-XMMPIXPASA-N	423.582	3.623	10	20	HHCD	
Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cnc1O	757572705	QLFOLODWGXRVPI-NTEUORMPSA-N	419.553	3.777	10	20	HHCD	
C[C@H](c1ccccc1)N(CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccccc1O	765492616	NURNQFRFQLNKRD-GOSISDBHSA-N	407.514	3.820	10	20	HHCD	
COCCC1(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCCC1	760744067	PNXITUCUABUMGI-QZTJIDSGSA-N	421.557	3.835	10	20	HHCD	
CC[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CN(Cc2ccccc2)CCO1	760898350	KIBQDLCRLCMLIE-DNQXCXABSA-N	424.589	3.574	10	20	HHCD	
C[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Oc1ccc(Cl)cc1	761486968	RONBUJYJRPOVRE-LBPRGKRZSA-N	409.269	3.931	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1	764156586	GDNCWWJWNCMKSN-WMLDXEAASA-N	404.507	3.615	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3CCOC4(CCOCC4)C3)ccc21	765682817	ZINPLKQFBLLUHI-LJQANCHMSA-N	401.503	3.790	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)C(C)(C)C(N)=O	767654815	BJBRLOPGERIIRL-INIZCTEOSA-N	407.436	3.810	10	20	HHCD	
CCCCc1nnc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)s1	766838412	ROJVKLJDUNPZQE-UHFFFAOYSA-N	401.580	3.942	10	20	HHCD	
CC(C)Oc1ccc([C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	766041799	MTHAMPWFFKQISN-HXOBKFHXSA-N	402.510	3.834	10	20	HHCD	
C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl	765359849	RZUQKHLVUBTIJG-QGZVFWFLSA-N	422.978	3.691	10	20	HHCD	
CC[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1cc(Br)ccc1O	775500069	NOVBNCVCJDPOEP-KRWDZBQOSA-N	412.349	3.940	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(C(F)(F)F)c1	774922060	HCKYATJYRYOFKZ-AWEZNQCLSA-N	419.447	3.581	10	20	HHCD	
OCCN(Cc1ccccc1)Cc1cc(Br)cc(Br)c1O	775638602	LRYXLYTZTNBPBR-UHFFFAOYSA-N	415.125	3.912	10	20	HHCD	
CS(=O)(=O)[C@@H]1CCCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	770001582	ODQJJHPUOMGBFJ-HXUWFJFHSA-N	414.531	3.940	10	20	HHCD	
Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2C)c1	773858505	QSXJQWUUPNPFOY-KRWDZBQOSA-N	419.529	3.679	10	20	HHCD	
COc1cc(OC)c(NC(=O)NCc2cccc(OC)c2O)cc1Br	779505781	RRYYQSBGLHBOJY-UHFFFAOYSA-N	411.252	3.502	10	20	HHCD	
COc1ccc(OC)c2c1CN(Cc1cc(Br)cc(C)c1O)C[C@@H]2O	775647435	VODRQMYJLARMHY-HNNXBMFYSA-N	408.292	3.530	10	20	HHCD	
COC[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(Cl)cc1	787374791	VUWONJFWEBGIJP-OAHLLOKOSA-N	413.699	3.995	10	20	HHCD	
CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	785296223	MEJOSCXZSGWRPB-LBPRGKRZSA-N	422.934	3.938	10	20	HHCD	
O=C(Nc1cnc2c(c1)CCCC2)C(=O)N(Cc1ccccc1O)C1CCCCC1	782895474	DVQNMUAPOUYKDG-UHFFFAOYSA-N	407.514	3.966	10	20	HHCD	
COc1ccccc1COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785413987	SEXYEPQKYUSSNU-UHFFFAOYSA-N	419.480	3.620	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccnn2-c2ccc(F)cc2)SC1=S	794870635	WYRKNKNPUWRBSU-VBKFSLOCSA-N	419.503	3.858	10	20	HHCD	
CC[C@H](NCCCSc1nccs1)c1ccc(Cl)c(S(=O)(=O)NC)c1	795794704	AQAKLIVFCXCVFS-AWEZNQCLSA-N	420.025	3.928	10	20	HHCD	
O=C(NCCOc1ccc2c(c1)CCC2)NCc1ccc(N2CCSCC2)cc1	1317911428	HIDOZHJKSMIWMV-UHFFFAOYSA-N	411.571	3.607	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(NCc3ccccc3)s2)cc1	7152510	JBYOTSYJSGEKIS-UHFFFAOYSA-N	413.572	3.625	10	20	HHCD	
CCOc1ccccc1OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	55529616	FFPFBFSWTAXIBS-IAGOWNOFSA-N	416.493	3.533	10	20	HHCD	
COc1ccc(N2CCCN(Cn3nc(C)n(Cc4ccccc4)c3=S)CC2)cc1	108219030	OCWMKQMKPOUBGK-UHFFFAOYSA-N	423.586	3.949	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806951050	ZKGRVDLXACFEPZ-OAHLLOKOSA-N	412.477	3.743	10	20	HHCD	
COC(=O)CC1(CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CCOCC1	803573940	IOOGWTQJOFPCRO-UHFFFAOYSA-N	412.530	3.801	10	20	HHCD	
CC[C@H](NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1O	806134433	KSQMDFYSQDKKSO-FQEVSTJZSA-N	419.928	3.964	10	20	HHCD	
C[C@@H]1CN(C(=O)COC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCO1	807455042	VOHROKBSLRQIER-MRXNPFEDSA-N	410.474	3.572	10	20	HHCD	
C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)C1=O	807836886	SSKYYKNLWYOZJF-NSHDSACASA-N	409.269	3.519	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCC(=O)N1CCN(c2ccccc2)CC1	801546637	WUGKBWRQIMRBBA-UHFFFAOYSA-N	423.557	3.650	10	20	HHCD	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807291467	WGTUMUPEETXJBF-UHFFFAOYSA-N	418.324	3.644	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(SC)cc1OC	802610449	AEGHYKNCTSVIGV-UHFFFAOYSA-N	402.516	3.890	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)n(C)c2ccccc12	472238451	JFAWLEPCTHDSHO-UHFFFAOYSA-N	410.562	3.667	10	20	HHCD	
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807289046	HFORXMVQAPRCJR-QHCPKHFHSA-N	419.569	3.857	10	20	HHCD	
C[C@@H](NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1ccccc1O	800991774	BYYMUKJTIGHUIL-PBHICJAKSA-N	417.472	3.526	10	20	HHCD	
CCn1cc(-c2nn(C)cc2C(=O)N2CCOc3cc(Cl)c(Cl)cc32)cn1	484631778	JMLRMJUBVVTDND-UHFFFAOYSA-N	406.273	3.650	10	20	HHCD	
COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)cc1	814270102	WFXAPSBINDBSAD-GZTJUZNOSA-N	415.492	3.754	10	20	HHCD	
CCOC1(C)CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	813590329	KSZZVNJWTWFSIL-CALCHBBNSA-N	407.530	3.540	10	20	HHCD	
CC[C@@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@H]1CCCO1	812306725	BTNBSWCQSSDZMQ-WIYYLYMNSA-N	413.566	3.696	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1OCCc2sccc21	814319775	QMETXTGIWZRACE-YWZLYKJASA-N	402.585	3.868	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)cn1	727245164	FEBATOBADHQTQH-UHFFFAOYSA-N	414.459	3.737	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c1O	729565144	CFTXQOAUTZUFLZ-UHFFFAOYSA-N	407.923	3.929	10	20	HHCD	
O=C(CCOCc1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565656	JNNSYOOSOLQZAX-UHFFFAOYSA-N	404.457	3.980	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1	727170509	RLLGYQOTQGQSMV-IBGZPJMESA-N	420.513	3.560	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(OC)c(OC)c3)CC2)cc1	726714891	AZPJHQJESOQMJD-UHFFFAOYSA-N	413.518	3.523	10	20	HHCD	
CCOc1ccc(N(C)C(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1	739772459	ZXQHTFMDBLBZAF-CJLVFECKSA-N	401.466	3.914	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	735886716	INZYHVHLZQQSET-UHFFFAOYSA-N	410.562	3.721	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c(C)n1-c1ccccn1	733267177	KURAZYXPZUEJMH-UHFFFAOYSA-N	417.513	3.831	10	20	HHCD	
CC(C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccco1)Cc1ccccc1O	732202436	QCOQBUAOBRJUCI-UHFFFAOYSA-N	421.497	3.764	10	20	HHCD	
COC(=O)CCc1nc(CSCC(=O)c2cc(C)n(-c3ccccc3)c2C)no1	732227903	HFQDNPCUFQQGIW-UHFFFAOYSA-N	413.499	3.699	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccn(-c3cccc(Br)c3)n2)cc1F	730177282	HZNHLLAGROHWEX-UHFFFAOYSA-N	417.282	3.770	10	20	HHCD	
CCS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	732535669	GHIVQBRDMKDUGR-UHFFFAOYSA-N	406.523	3.736	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1	918309405	GUBDRNCYLWSYSQ-UHFFFAOYSA-N	424.545	3.724	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC)cc1	918187222	ZLSWVMWPEZVQLO-FQEVSTJZSA-N	401.482	3.621	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C[C@H]3CN(Cc4ccccc4)CCO3)cc2)CC1	743339537	STIWXSWIOPWULN-VWLOTQADSA-N	421.585	3.830	10	20	HHCD	
CN(C)c1ccc(CN(CCCOc2ccc(S(C)(=O)=O)cc2)C2CC2)cc1	745261502	YONRZTWUNZRCGT-UHFFFAOYSA-N	402.560	3.590	10	20	HHCD	
O=C(COc1ccc2ccccc2c1)NCc1ccc(N2CCC(CO)CC2)cc1	919968472	RXIPSQZUHIFKAJ-UHFFFAOYSA-N	404.510	3.744	10	20	HHCD	
CCN(CCC(F)(F)F)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	748461851	RRUDCXUTYLBJHA-KBPBESRZSA-N	405.436	3.923	10	20	HHCD	
C[C@@H](NC(=O)c1c(F)cccc1Br)c1ccc(N2CCOCC2)cc1	749358278	DYRKNYIZYAVZLM-CYBMUJFWSA-N	407.283	3.916	10	20	HHCD	
CN(C)c1ccc(N2CCC(NC(=O)NCc3ccc(N4CC=CC4)cc3)CC2)cc1	743623151	GTRCJLNKJUYCPT-UHFFFAOYSA-N	419.573	3.597	10	20	HHCD	
CC1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cc2)CC1	741097278	NKGPXLLJBKWHIW-UHFFFAOYSA-N	418.541	3.554	10	20	HHCD	
C[C@H](Cc1cccs1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	914742309	CNLKBIPVKFDDRD-GFCCVEGCSA-N	420.446	3.793	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1	746699271	NRGSWQMMTGJIDU-UHFFFAOYSA-N	412.559	3.598	10	20	HHCD	
CC(C)Oc1ncccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	916684664	RFDALZLPYBYVQT-HOTGVXAUSA-N	416.497	3.943	10	20	HHCD	
COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1	753918507	HTCCMIJSRAYOCH-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
Cc1cc(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c(C)n1-c1ccc(F)cc1	752333705	LVNPWJUNIXAKCZ-KRWDZBQOSA-N	423.452	3.528	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4C)c3C)CC2)cc1F	753732273	SLAPTOVBMBIUKH-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
O=C(NCCCSc1nccs1)NCC1CCN(Cc2ccccc2)CC1	759571676	XCWSYSHIHACWGO-UHFFFAOYSA-N	404.605	3.837	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2C)c1	751316889	DBGWAZYLQKFHKS-LLVKDONJSA-N	400.294	3.511	10	20	HHCD	
COC(=O)c1sc2[nH]c(/C(Cl)=C\c3ccc4c(c3)CCN4C)nc(=O)c2c1C	751525573	XHJWKWDWOAFSOR-UKTHLTGXSA-N	415.902	3.809	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NCC1CCCCC1	751937755	WDZYUBWXWNFBFZ-AWEZNQCLSA-N	401.532	3.558	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cccnc2I)C2CC2)cc1	757794371	PLRSUSFTZSKJOB-UHFFFAOYSA-N	421.282	3.557	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1O	758527184	HDUWNMQNSVLXAH-QFBILLFUSA-N	410.283	3.558	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O	750661826	SGAIWHYJGMMDJO-HSZRJFAPSA-N	422.573	3.518	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1	761225700	HCWFXCUQTDJLKL-QFIPXVFZSA-N	419.529	3.538	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(O)c(Br)c1	765800457	RSPJRVMYJVSFMM-UHFFFAOYSA-N	402.292	3.530	10	20	HHCD	
O=C1CN(Cc2ccccc2)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761635148	JXWRORQOELZSJT-SFHVURJKSA-N	415.440	3.721	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccnc1N1CCCC1	761751294	CCFXOZKQVDZZHR-UHFFFAOYSA-N	404.308	3.812	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4ccco4)s3)cc2)C1	764968436	HZQXJIBDWPRZSD-INIZCTEOSA-N	409.511	3.640	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)cc1	760064280	IJWQQDXXAGESTI-UHFFFAOYSA-N	421.538	3.880	10	20	HHCD	
CCOc1ccc(CN2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1	773615890	YXDVHXJHFWEMIA-IBGZPJMESA-N	410.562	3.740	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCSc1nccs1	772624425	QACIVIRUUDZJCB-KGLIPLIRSA-N	414.597	3.713	10	20	HHCD	
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773746036	TXNGCQOQAMTUEK-HNNXBMFYSA-N	409.438	3.752	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\SC(=S)N([C@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)CC1	771513425	KUNQLFFPINFVHF-IAGAKYPASA-N	413.612	3.828	10	20	HHCD	
C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc(Cl)c(Cl)cc1O	774118663	YCTFMXIDDMFRDH-LLVKDONJSA-N	403.331	3.800	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1C(=O)OC(C)(C)C	772476336	DTIJBHQEFXPGJD-DOTOQJQBSA-N	417.550	3.858	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(Br)c(C)n3)CC2)cc1	775780675	ZHZVNUJGQNDYBX-UHFFFAOYSA-N	419.323	3.952	10	20	HHCD	
O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)N(Cc1ccco1)Cc1ccccc1O	772545914	GCTZEMLOLNGIBY-GOSISDBHSA-N	411.502	3.631	10	20	HHCD	
Cc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)C2=O)cc1	773014544	IMAKYDDGKICSPE-JTSKRJEESA-N	413.949	3.941	10	20	HHCD	
COC(=O)COc1ccc(CN(C)Cc2cc(OC)cc(C(C)(C)C)c2O)cc1	774570313	VXWNMWAQVQWQFI-UHFFFAOYSA-N	401.503	3.882	10	20	HHCD	
CCOC(=O)c1ccc(N2CC(NCc3cc(-c4ccccc4)ccc3O)C2)nc1	784626316	ZISQUCNOCDVKIB-UHFFFAOYSA-N	403.482	3.609	10	20	HHCD	
Cn1ccnc1[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1	780763546	JPZYPVOHUWVJTE-NRFANRHFSA-N	423.542	3.761	10	20	HHCD	
COc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1O	781083933	IXVJIINGFYKXAF-TZTLJZABSA-N	410.514	3.688	10	20	HHCD	
CCOC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	782896050	LPRAPFSYYVFHFS-UHFFFAOYSA-N	424.497	3.869	10	20	HHCD	
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)C(=O)Nc1ccccc1C	787330591	ZUDSBZKUPAOPFX-OAHLLOKOSA-N	401.463	3.857	10	20	HHCD	
COc1cccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1	786760195	LRUJNWFQRGCLIY-SFHVURJKSA-N	423.557	3.958	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(N2CCOCC2)cc1	781373702	ULHIFAFREXPDQQ-IRFCIJBXSA-N	414.594	3.536	10	20	HHCD	
C[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1cccc(C(F)(F)F)c1O	788752369	VOYFSUPDQVGVAZ-AWEZNQCLSA-N	408.420	3.734	10	20	HHCD	
Cc1ccccc1-c1noc(C)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	796213137	FLAQGQGUGGNYRV-UHFFFAOYSA-N	421.497	3.840	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	793576258	ODBOTFBBZNHYMC-SJORKVTESA-N	420.550	3.868	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCN1C1CCCCC1	798057355	MZYPTUWWCJQCFY-QFIPXVFZSA-N	416.635	3.836	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(OC)cc2O)nnn1-c1cccc(Cl)c1	794378354	DTFSECYKDRCCOI-UHFFFAOYSA-N	400.866	3.517	10	20	HHCD	
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1cccc(Br)c1O	798501284	IHCUKOSJVNREJA-KRWDZBQOSA-N	405.292	3.685	10	20	HHCD	
C[C@H](NC(=O)Nc1c(Cl)ccc2c1CCO2)c1ccc(N2CCOCC2)cc1	797666542	WHGVROBKHUDWSF-AWEZNQCLSA-N	401.894	3.994	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)C3(c4ccc(F)cc4)CCOCC3)CC2)cc1	1324300571	YMWUDCWGPIBQJK-UHFFFAOYSA-N	412.505	3.621	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COC(=O)c3c(Cl)cccc3Cl)CC2)cc1	3555500	QSDUSIKJYJAYGX-UHFFFAOYSA-N	423.296	3.508	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CSc1ccccc1Cl	27494619	VOGVQCOPFWKYPY-UHFFFAOYSA-N	406.935	3.700	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3nnc(C(F)F)s3)cc2F)C[C@H](C)O1	148425784	CLWOIXGBKVFRGD-UWVGGRQHSA-N	415.441	3.550	10	20	HHCD	
CN(Cc1ccccc1O)c1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3	301894132	WVIVLBZQERFLPA-UHFFFAOYSA-N	424.570	3.744	10	20	HHCD	
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)NCc2c(C)c3ccccc3n2C)cc1	471547943	OGWIQVDLQSRULV-JOCHJYFZSA-N	420.557	3.668	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(C(=O)C(C)(C)C)CC3)ccc21	590701542	IJSGDDWTGDAMMF-UHFFFAOYSA-N	413.562	3.671	10	20	HHCD	
O=C(NCCOc1ccc2c(c1)OCO2)N(Cc1ccco1)Cc1ccccc1O	726243198	HXMWMIQIDNWBQD-UHFFFAOYSA-N	410.426	3.505	10	20	HHCD	
C[C@H]1CCCN(C[C@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	726708749	QFFDJGCHMDIWBT-IRXDYDNUSA-N	424.536	3.676	10	20	HHCD	
COCc1cccc(S(=O)(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c1	727246304	LVAYESKLIIWEHV-UHFFFAOYSA-N	420.512	3.775	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cc(F)ccc3Cl)cc2)C1	728122670	VQRJBSDNTHRHQW-CQSZACIVSA-N	404.873	3.503	10	20	HHCD	
CC1(C)CN([C@@H](CNC(=O)NCc2ccccc2O)c2ccc(Cl)cc2)CCO1	729049340	MSYNWZNAQFWXSV-IBGZPJMESA-N	417.937	3.697	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3ccccc3Br)CC2)cc1	729359756	JMPSJDJYFCMJEP-UHFFFAOYSA-N	403.320	3.785	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1nc(C)cs1	729596903	FOFXFWFVUYDSMM-LJQANCHMSA-N	402.564	3.611	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc4ccccc4c3)cc2)C1	729599735	SHWGXDGMEOZETI-JOCHJYFZSA-N	416.525	3.541	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccccc3OCC3CC3)cc2F)CC1	730194627	RVZSFZSKTSSHRW-UHFFFAOYSA-N	411.521	3.686	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCCCCN3CCCCC3)CC2)cc1	732253347	FETQBDKLCIFTMI-UHFFFAOYSA-N	402.583	3.573	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N(C)C)cc1C	734405052	RSDIAVYFYDIMLA-HXOBKFHXSA-N	407.558	3.677	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(COc2ccccc2)c1	734702348	YAGNLYSQWASPSR-UHFFFAOYSA-N	417.509	3.895	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)ccc1C	737381819	NOMZHOFXQFOYJW-UHFFFAOYSA-N	415.496	3.770	10	20	HHCD	
CCN(CC)c1ccc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)cc1F	740167848	NMSUOGNCCODTQT-FOWTUZBSSA-N	410.536	3.826	10	20	HHCD	
CO[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	743657318	QBLJNVLFKKCIFH-OAQYLSRUSA-N	417.937	3.706	10	20	HHCD	
CC(C)N(CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)C	745267621	ULRNHBHTGHIMCL-KRWDZBQOSA-N	412.525	3.675	10	20	HHCD	
COC(=O)c1sc2[nH]c(CN(CC(C)C)c3ccc(OC)cc3)nc(=O)c2c1C	746171129	PQRKULQGSYHPTM-UHFFFAOYSA-N	415.515	3.751	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)ccc21	746986372	ZXGNFLKLQYFMSO-NRFANRHFSA-N	407.514	3.887	10	20	HHCD	
CSc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1Cl	749730459	QOBTYFWVWBREFC-UHFFFAOYSA-N	401.966	3.756	10	20	HHCD	
CCc1csc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1	751061170	SJAGKHZTBAPZRW-UHFFFAOYSA-N	409.514	3.526	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnn(-c4cccc(C)c4)c3C)CC2)cc1F	753741536	KBDPXZLTFMJBIT-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F	755580993	RZTUTFVFGFBMRE-YOEHRIQHSA-N	402.422	3.751	10	20	HHCD	
Cc1cc(CC(=O)NCc2nnc3n2CCCCC3)c(C)n1-c1ccc(Cl)cc1	756674316	PWBIPURUCDRNKB-UHFFFAOYSA-N	411.937	3.924	10	20	HHCD	
COc1ccc(C(=O)N2CCC(N[C@@H](C)c3ccc(F)cc3O)CC2)cc1OC	756731781	CDJZVWXHBZTCIW-AWEZNQCLSA-N	402.466	3.504	10	20	HHCD	
O=C1CCCc2cc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)ccc2N1	758162918	IBSBSLUMIZPTBX-UHFFFAOYSA-N	401.271	3.775	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccco3)CC2)cc1	758739487	IVQAFSNDRYGHEI-CTNGQTDRSA-N	413.518	3.555	10	20	HHCD	
COc1cc2c(cc1CNC1CCN(c3ccc(OC(F)F)cc3)CC1)OCO2	759146482	NIEYWQRHRXWHOH-UHFFFAOYSA-N	406.429	3.784	10	20	HHCD	
COc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)n1	760081143	VFVAQMYMCJVMGR-AWEZNQCLSA-N	406.433	3.791	10	20	HHCD	
CCOCCC1(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCCC1	760811835	MCUBJKVDAFLIDJ-UHFFFAOYSA-N	403.567	3.904	10	20	HHCD	
Cc1cc(=O)n(CC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cn1	762201397	HFFCTDLAIQQEIO-UHFFFAOYSA-N	400.276	3.605	10	20	HHCD	
O=C(NC1Cc2ccccc2C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	762584950	PLZMDIFKPLCYAL-QGZVFWFLSA-N	401.457	3.723	10	20	HHCD	
O=S(=O)(c1cccc2nonc12)N(Cc1cccnc1)c1ccc(Cl)cc1	765167522	LURSVADBWLWMDO-UHFFFAOYSA-N	400.847	3.667	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(OC)c(C4CC4)c3)CC2)cc1	766366294	AGFRGWGFRJWRMY-UHFFFAOYSA-N	423.557	3.523	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2cnc(Cl)c(OC)c2)n1	767675774	NJNMDMRLTGUNFA-UHFFFAOYSA-N	411.892	3.677	10	20	HHCD	
CCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ncccc12	767934878	IWXSQQYHBGTLCJ-UHFFFAOYSA-N	424.476	3.931	10	20	HHCD	
COc1cc(O)c(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1OC	768446354	JSPLWHUVDQRGCA-UHFFFAOYSA-N	409.404	3.922	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4cccc(F)c43)cc2F)C[C@@H](C)O1	769033277	LORGLSPOMFYULQ-HUUCEWRRSA-N	401.457	3.851	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1	769317893	SRTVVCRPWKECBD-UYAOXDASSA-N	401.576	3.653	10	20	HHCD	
CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769665964	GONGJVOTEBYSHB-UHFFFAOYSA-N	408.495	3.735	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)NCc3c(O)ccc4c3CCCC4)c2)CC1	771274716	ZMPVAYIFXYRFKJ-UHFFFAOYSA-N	408.546	3.735	10	20	HHCD	
CCOC(=O)Nc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	771878908	ARFJRQNCBXIFDO-UHFFFAOYSA-N	403.822	3.583	10	20	HHCD	
C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl	772951581	UIWFUMUKOCGUEI-HTAPYJJXSA-N	413.949	3.628	10	20	HHCD	
CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccn1	773820920	DXXSHRMLPGHBKA-UHFFFAOYSA-N	407.436	3.531	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(Br)nc3C)CC2)cc1	774059093	WLDRPPUDARSVKO-UHFFFAOYSA-N	419.323	3.952	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccccc2CN(C)Cc2ccco2)c1O	775025440	VPYOUVOPSSDCTQ-UHFFFAOYSA-N	411.458	3.824	10	20	HHCD	
C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	775630193	IVBSCSUYUOTWRT-IAGOWNOFSA-N	424.513	3.709	10	20	HHCD	
O=S(=O)(c1cccc(F)c1)N(CCCNCc1cccc(Cl)c1O)C1CC1	776254493	XLQYHWBOWQKJDU-UHFFFAOYSA-N	412.914	3.518	10	20	HHCD	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn(CC(F)F)c3)n2)cc1C	777665396	HNXAUINYYWTZAU-UHFFFAOYSA-N	412.487	3.998	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(F)cc1	777821984	AEZCVQVUDGGVGZ-QGZVFWFLSA-N	406.457	3.938	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H](C)c1cccc(OC)c1	777827343	ZRMLDCKIIICQLP-AWEZNQCLSA-N	405.878	3.750	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccc(NC(=O)C3CC3)c2)C2CCCCC2)cc1	784061929	HNNWTFIMVSCVCZ-UHFFFAOYSA-N	420.513	3.922	10	20	HHCD	
CC[C@@H](Sc1ccccc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	785920546	CBRNOUYOBQMEPH-HXUWFJFHSA-N	400.544	3.825	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1	786074890	PCOGRUIJWCRVMQ-LJQANCHMSA-N	405.901	3.675	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1OC(F)F	787873168	VEUGVFBDHITSDE-SFHVURJKSA-N	419.472	3.546	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1	791246405	ODXSRFYBZPHNRB-UHFFFAOYSA-N	413.474	3.905	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	792272302	BYNKFOCURYMIGQ-NSHDSACASA-N	410.301	3.884	10	20	HHCD	
CCOc1cccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	793827123	JGFPQZASGSKRFL-IBGZPJMESA-N	423.557	3.911	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1	793954637	IQWGTNIGRXDEQG-UHFFFAOYSA-N	417.918	3.710	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	797637696	HSXACGQOQYJWNI-VIFPVBQESA-N	410.224	3.521	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c(O)c1	797647952	QQXLYGVBYHQKQL-UHFFFAOYSA-N	404.829	3.760	10	20	HHCD	
COC(=O)c1cc(F)c(Br)cc1NC(=O)N(C)Cc1ccccc1O	797671411	QLBOCIYKTUJMDW-UHFFFAOYSA-N	411.227	3.744	10	20	HHCD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	798082756	CRZBLUUHUFCTSA-BJKOFHAPSA-N	423.557	3.649	10	20	HHCD	
COC(=O)N1CCC(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	799914147	DVQAKTYRCLNOCL-OAHLLOKOSA-N	422.957	3.606	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(NC(N)=O)cc3)cc2Cl)C1	800343896	HMBQHVPDLFGRMB-AWEZNQCLSA-N	400.910	3.997	10	20	HHCD	
COc1ccc(CNC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)c(O)c1	800560207	OXEQKTUZAVATFU-UHFFFAOYSA-N	402.447	3.910	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1	809154132	NRYKTSTWONLNSX-ZSOIEALJSA-N	422.076	3.673	10	20	HHCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1OCCCO	812783685	BERINOIFZHVSOB-AWEZNQCLSA-N	406.320	3.996	10	20	HHCD	
COc1ccc(N2CCCN([C@@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)CC2)cc1	815021140	CQALMBWYWVJNEH-WZONZLPQSA-N	411.521	3.709	10	20	HHCD	
CN(C)CCOc1ccccc1N1CCN(Cc2ccc3ccccc3c2O)CC1	816511310	UEPMSRHVVBCLSY-UHFFFAOYSA-N	405.542	3.808	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1c(C)nc2c(c(C)nn2C)c1C	842479367	HGLUVMMTROFLSS-UHFFFAOYSA-N	407.562	3.941	10	20	HHCD	
CC(C)NC(=O)c1ccc(Cl)c(NCc2ccc(N3CCN(C)CC3)cc2)c1	863998622	JXXRJCDODVBDOX-UHFFFAOYSA-N	400.954	3.842	10	20	HHCD	
Cc1nc(C)c(CCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(O)n1	914491582	LIQNAVARPTVQAG-UHFFFAOYSA-N	408.502	3.620	10	20	HHCD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCSCC4)cc3)c12	917386887	MDKFQEDNFHMQRN-UHFFFAOYSA-N	421.570	3.637	10	20	HHCD	
O=C(Nc1ccc2ccccc2c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918295920	TWCCYTGJKFRAQE-OAQYLSRUSA-N	404.466	3.692	10	20	HHCD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	918305577	LGIVBFDTTCPNKP-UHFFFAOYSA-N	403.910	3.792	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(CCC(C)=O)cc3)CC2)cc1	1319734354	XTNNXTCPBZXADD-HXUWFJFHSA-N	424.541	3.723	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)COC(C)(C)C)C3)cc1	1845397974	LVJBWIAXWBVDIA-UHFFFAOYSA-N	423.557	3.726	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc4c5c(cccc35)CC4)CC2)cc1	105357154	NWAMPULEXKLZSU-UHFFFAOYSA-N	401.510	3.708	10	20	HHCD	
O=S(=O)(c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)cc1)C(F)F	52446754	DPTOBOKOUMYRKD-UHFFFAOYSA-N	410.486	3.504	10	20	HHCD	
CC(C)[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)n1nnc(-c2ccccc2)n1	116033893	OPZDJRKVVBCURO-JOCHJYFZSA-N	418.545	3.844	10	20	HHCD	
COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)cc1	63473899	DIWFNMVPOHGDMP-UHFFFAOYSA-N	419.481	3.558	10	20	HHCD	
CC1CCN(c2ccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)CC1	301930074	KCGKVKZCGVFOHD-UHFFFAOYSA-N	409.533	3.908	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1	145667531	ZPJUIFRNFHIBNQ-MRXNPFEDSA-N	408.477	3.647	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1	809145031	LXYONLIMAGSYMK-UHFFFAOYSA-N	414.571	3.888	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc(Cl)ccc3O)C2=O)c(OC)c1	806169430	FTZNWFBKZNPOMH-SCLBCKFNSA-N	404.894	3.515	10	20	HHCD	
CC(C)[C@@H](NC1CCOCC1)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800696330	OVTALTOYWUEPJT-VGOFRKELSA-N	422.013	3.986	10	20	HHCD	
C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	806496292	SXVDQJLDHMNGQD-AAIMPIBUSA-N	420.557	3.681	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1	809968723	GTVILNOQKQCVND-VQTJNVASSA-N	401.551	3.652	10	20	HHCD	
CN(CCc1nc(-c2ccccc2)no1)C(=O)NCc1ccc(N2CCCC2)cc1	804967189	KFSLNJIAKIWNCP-UHFFFAOYSA-N	405.502	3.721	10	20	HHCD	
C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCCCSc1nccs1	806958494	ITNKLIVBJVDDHV-CYBMUJFWSA-N	406.581	3.661	10	20	HHCD	
CC(C)n1ncc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cnc21	812033139	XWVIAZJRPSXIOP-QFIPXVFZSA-N	421.545	3.900	10	20	HHCD	
Cc1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Br)s1	816922124	RNEDBZITBXVWAS-ZDUSSCGKSA-N	411.321	3.741	10	20	HHCD	
Cc1cc(-c2nnc(Nc3cnn(C)c3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1	812426096	XFASVQYSMLSLNY-GOSISDBHSA-N	417.517	3.866	10	20	HHCD	
COc1cc(N2CCN(C[C@H](O)c3cccc4ccccc34)CC2)cc(OC)c1OC	815092432	GTKZBLGKZFKNGZ-QFIPXVFZSA-N	422.525	3.721	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1	729063974	MTHQMKZQESMNGX-LLVKDONJSA-N	411.483	3.704	10	20	HHCD	
NC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1	815857995	CEKDYPDFAARHLQ-FQEVSTJZSA-N	415.453	3.773	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cccc(CN4CCCC4)c3)CC2)cc1	726614252	SGOUNNQKYNAKJP-UHFFFAOYSA-N	422.573	3.759	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCCS(C)(=O)=O)c(C)n1-c1ccc(C(C)C)cc1	731260206	XOEKWVSKUXGRCL-UHFFFAOYSA-N	419.543	3.768	10	20	HHCD	
COC(=O)CN(CC(=O)Nc1ccccc1C(C)C)Cc1cc(Cl)ccc1O	731844727	IGPLIEDMYXNOHW-UHFFFAOYSA-N	404.894	3.783	10	20	HHCD	
CCc1cccc(NC(=S)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1	730597254	GCLGPXVLKCVPNN-UHFFFAOYSA-N	412.603	3.756	10	20	HHCD	
Cc1cc(C(=O)CN(C)Cc2ccccc2O)c(C)n1Cc1ccc2c(c1)OCO2	732203299	WGXBCLOUSXVNAZ-UHFFFAOYSA-N	406.482	3.902	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCC(=O)Nc1ccc(Cl)cc1	734659365	ASAILSNRJWIACS-UHFFFAOYSA-N	402.926	3.933	10	20	HHCD	
O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc(NC[C@H]4CCCO4)c(F)c3)cc2N1	739898893	PSISJYFUHUBRGS-CQSZACIVSA-N	400.410	3.953	10	20	HHCD	
Cc1ccnc(-c2cccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)c2)n1	734651923	RVDKQRCGRXWCEF-UHFFFAOYSA-N	403.486	3.610	10	20	HHCD	
C[C@H]1Cc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)cc(Cl)c2O1	736325753	MMBSZAWWBZRBAY-AWEZNQCLSA-N	406.935	3.742	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCOCc3ccccc3)cc2F)C[C@@H](C)O1	918161979	QHZYCZHSRZVGAZ-QZTJIDSGSA-N	400.494	3.662	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2cnc3c(cnn3C)c2)c1C	747739030	UHULDBYSBNQJBR-UHFFFAOYSA-N	402.454	3.724	10	20	HHCD	
CNC(=O)c1cc(Oc2cc(NC(=O)NCc3ccccc3O)ccc2C)ccn1	748947784	HQVRHEGGGLQKKO-UHFFFAOYSA-N	406.442	3.569	10	20	HHCD	
O=C(CCCNC(=O)NCc1ccc(N2CC=CC2)cc1)Nc1ccc(Cl)cc1	740920057	PYMQUSJEUDGIFV-UHFFFAOYSA-N	412.921	3.934	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	741211042	HBAUXSFRNLQGGE-OAQYLSRUSA-N	414.594	3.713	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1	741416325	PSLDVHNVSGLWDL-UHFFFAOYSA-N	422.508	3.943	10	20	HHCD	
CC(C)C(=O)Nc1nc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cs1	916045737	BPARNIWALOWCMM-UHFFFAOYSA-N	400.548	3.537	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1[N+](=O)[O-]	742798464	NYTRBJDFQDDVDM-OAHLLOKOSA-N	405.401	3.903	10	20	HHCD	
COc1csc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	746835345	XETULZHNQGXOHQ-UHFFFAOYSA-N	400.422	3.542	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCC2CCN(CC(F)(F)F)CC2)cc1	748959254	KWMOTZCPMOXLQS-UHFFFAOYSA-N	414.516	3.996	10	20	HHCD	
COc1cc(CN2CCN(Cc3c(O)ccc4ccccc34)CC2)cc(OC)c1OC	749970075	ZAKNEHVGLUBLSH-UHFFFAOYSA-N	422.525	3.889	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)cc1	915317621	MQTMTPBPCOZFFK-UHFFFAOYSA-N	422.529	3.675	10	20	HHCD	
CCCOc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	918205918	XBSAJGJNIOQZGW-UHFFFAOYSA-N	415.509	3.575	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1	842760214	WZUTWDQAIMMNLO-UHFFFAOYSA-N	411.546	3.838	10	20	HHCD	
Cc1cc(CC(=O)O[C@H](C)C(=O)NCC(F)(F)F)c(C)n1-c1ccc(Cl)cc1	749986025	UAMBXYYUUHTEAG-CYBMUJFWSA-N	416.827	3.900	10	20	HHCD	
Cc1ccc(N2CC[C@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2=O)cc1	745852215	MYMQYOXLCDSRLO-QFIPXVFZSA-N	408.546	3.787	10	20	HHCD	
CCN(CC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C)[C@@H]1CCS(=O)(=O)C1	747100464	ZSIVKOZUKILHFH-GOSISDBHSA-N	420.600	3.508	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2CN2C(=O)CCC2=O)cc1	920343538	RWCZFERBLLHZFI-UHFFFAOYSA-N	408.502	3.504	10	20	HHCD	
C[C@H]1CN(C(C)(C)CN[C@@H](C)c2cc(Br)cc(F)c2O)C[C@@H](C)O1	756367522	NEYHKOOYYSSDSM-XQQFMLRXSA-N	403.336	3.832	10	20	HHCD	
O=C(NCCCSc1nccs1)N(Cc1ccccc1O)C[C@H]1CCCO1	759602290	SUFXSVKIDDCOCN-MRXNPFEDSA-N	407.561	3.722	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1CN1CCNC1=O	757923395	HFXQFVHXDRGZBC-UHFFFAOYSA-N	421.545	3.866	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@@H]1CCCS1	756979841	JQALKIWOMKCUEV-ODUNQGDFSA-N	412.627	3.741	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)c(C)o1	754696006	XKGIJSIPZMWQED-UHFFFAOYSA-N	410.448	3.746	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(Br)cc1Cl	753639710	ACQLCXNLPJWCHW-SNVBAGLBSA-N	414.683	3.640	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cnn(-c3ccccc3Br)c2)c1O	756499698	BTMIFVCLFLDXQY-UHFFFAOYSA-N	417.263	3.671	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(Br)c1O	764784499	PJDCLCDOAMAONZ-UHFFFAOYSA-N	402.292	3.530	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1C	764065977	BIWAEEMKPNSVEO-CVDCTZTESA-N	408.590	3.501	10	20	HHCD	
O=C(COC(=O)c1ccoc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	768963828	OQSYQDLALXQTBE-UHFFFAOYSA-N	409.781	3.504	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNC1CCN(c2ccccn2)CC1	765078519	LNYBWFOHWMUAHZ-UHFFFAOYSA-N	420.479	3.696	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NCc1cc(Cl)cc2c1OCC2	764806779	QSZZOLQCTWMRCY-UHFFFAOYSA-N	411.683	3.742	10	20	HHCD	
O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1	769482545	GHLVOHQDKHUHHP-UHFFFAOYSA-N	415.465	3.614	10	20	HHCD	
COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(O)cc1OC(C)C	762002051	ZQZWOKRQUNBANM-UHFFFAOYSA-N	421.496	3.982	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C/c3sccc3Br)SC2=S)CC1	764884922	ISHILKKOMNQINF-WQLSENKSSA-N	403.392	3.806	10	20	HHCD	
O=C(Nc1cccnc1OCC(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1	766501420	ILYMNDQJTLFNIC-HNNXBMFYSA-N	407.417	3.644	10	20	HHCD	
COc1cc(O)c(CN2CCO[C@H](c3ccccc3Br)C2)cc1OC	768445035	PWFMCOGTWQNSCM-IBGZPJMESA-N	408.292	3.745	10	20	HHCD	
COc1ccc([C@@H](C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	774858170	WFQYEYHIJDLOMM-OAHLLOKOSA-N	414.461	3.760	10	20	HHCD	
CN1C(=O)CCc2cc(CN[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc21	775310099	FHGXZGVECJVYIJ-SFHVURJKSA-N	415.484	3.956	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3c(Cl)nc4ccccn34)no2)cc1)C1=S=CC=C1	771333055	ONQHKLLAXRRODW-UHFFFAOYSA-N	421.869	3.921	10	20	HHCD	
Cc1nccn1C[C@@H](C)CNCc1cc(Br)cc(Br)c1O	775906096	LSEKHFHKHLVRQU-JTQLQIEISA-N	417.145	3.848	10	20	HHCD	
Cc1cc(C(=O)NCCc2cncn2C)c(C)n1-c1ccccc1Br	773831591	YJNVMMRBQMAGNX-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cccc4ccsc34)CC2)cc1	778393803	MGVDWASHUDVFJU-MDZDMXLPSA-N	421.522	3.753	10	20	HHCD	
CS(=O)(=O)c1ccc(N(Cc2ccco2)Cc2ccccc2O)c([N+](=O)[O-])c1	775482011	HALMLRRYEUOFJK-UHFFFAOYSA-N	402.428	3.504	10	20	HHCD	
O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc(N3CCSCC3)cc2)n1	774131836	OQGQLWMWBJKLFX-RBUKOAKNSA-N	401.536	3.618	10	20	HHCD	
CCC1(CC)CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1	777238971	MHIGWPQXXCDHBX-LJQANCHMSA-N	400.567	3.500	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1O	774927149	LMGXMNDRJSEAOK-CHWSQXEVSA-N	405.426	3.674	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)c1	789463969	MSQRHXKCSGDLGC-WFGGJUAMSA-N	415.515	3.577	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC[S@](=O)c2cc(Cl)ccc2Cl)cc1	784560264	KXOCJZMLFCIMHW-SANMLTNESA-N	416.326	3.789	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1C	789725734	AWHXFIDBVLNXKF-UHFFFAOYSA-N	412.924	3.682	10	20	HHCD	
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1	782261605	QMHSFHNJFLOGFB-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CC(C)(C)[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	788234874	OVEJZVMNRHZYPX-RBBKRZOGSA-N	424.541	3.803	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc2ccccc2n1C(F)F	781920624	PLWJKONQLZHVFL-HNNXBMFYSA-N	415.488	3.807	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1OC(F)F	787869688	MYGVSYLLGKQEGT-KSSFIOAISA-N	419.472	3.799	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(C(F)(F)F)n2)cc1	786427312	SVQJOEUJXCPUQT-UHFFFAOYSA-N	406.408	3.845	10	20	HHCD	
COCCN(CCOC)C1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1	795716389	IMFKFBHUNLSSFX-UHFFFAOYSA-N	416.562	3.576	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC2(CCC2)c2ccccc21	790220902	XZYGSCPGVZMKHB-UHFFFAOYSA-N	409.505	3.938	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1c(F)cc(Br)cc1F	797630437	DROCXZGZIDMRNK-MRVPVSSYSA-N	401.207	3.891	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Br)cc1C(F)(F)F	794938661	MZJKEWOXFSMAQD-KPKJPENVSA-N	421.238	3.770	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nnc(CNC(=O)c4cccs4)o3)ccc21	1257930871	MCJVQYURAXMCJM-UHFFFAOYSA-N	410.499	3.946	10	20	HHCD	
Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)c1	1788427784	QQLPLIRBLXQZAZ-UHFFFAOYSA-N	417.465	3.863	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccon2)cc1	1795303010	FVVFRQVKOCTRGJ-NUZGMZIFSA-N	418.497	3.648	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1	9932400	GKZDJQAJIGOUJM-UHFFFAOYSA-N	412.559	3.580	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(CN4CCCC4=O)o3)c2C)cc1	58302986	REYOUIYKYLGCHP-UHFFFAOYSA-N	424.526	3.883	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	145604183	LHYVPJCOMXGOCE-HOYKHHGWSA-N	419.525	3.665	10	20	HHCD	
CN1CCCc2cc(CNC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)ccc21	217169386	LLODDAGVEJOXBT-JWGURIENSA-N	415.493	3.749	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]3CC(=O)c3cnn(C)c3)ccc21	447994943	YHTGLPMYDXCVDO-FQEVSTJZSA-N	422.529	3.516	10	20	HHCD	
COc1cc(Br)cc(CNCc2ccccc2Cn2ccnc2)c1O	725845085	JQHUKJUYKLIJSK-UHFFFAOYSA-N	402.292	3.698	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1ccc2c(c1)OCCCO2	727250722	QFJNZBBQTOFDBZ-UHFFFAOYSA-N	406.460	3.911	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1csc(COc2ccc(Cl)cc2)n1	728697538	RIFAYQZZRQTYIU-YVLHZVERSA-N	411.870	3.837	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)nc1)N(Cc1ccccc1O)C1CCCCC1	729492258	YPBDLRWJPMJSJF-UHFFFAOYSA-N	424.545	3.668	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)c1	729535940	WXKVOQIJNIUKDK-GJZGRUSLSA-N	402.516	3.647	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1F	731398947	XXZMGYIFDSVYPD-CYBMUJFWSA-N	400.454	3.713	10	20	HHCD	
Cc1sc(NC(=O)[C@@H](C)S(C)(=O)=O)c(C(=O)OC(C)C)c1-c1ccccc1	733092276	CYOZIGLNULBJJB-CYBMUJFWSA-N	409.529	3.660	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1O	733638828	GKGNWFPQXVSWKN-UHFFFAOYSA-N	400.822	3.958	10	20	HHCD	
Cc1cc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c(C)n1-c1cccc(Cl)c1	734453216	OGTWTLCVILDECO-NRFANRHFSA-N	414.981	3.600	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCCN(c2ccccc2)C1	734526841	VTBGOICVSXKWGE-HXUWFJFHSA-N	410.587	3.708	10	20	HHCD	
COc1ccccc1[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1C)N1CCCC1	734654277	SRPMGQLQTRQPKE-JOCHJYFZSA-N	410.562	3.706	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2c(ccn2CC(C)C)c1	737207847	BHGOOYCIENHPIB-UHFFFAOYSA-N	406.530	3.927	10	20	HHCD	
COc1ccc(CNC(=S)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743016682	ZBEXIDIOJRYFGM-MRXNPFEDSA-N	421.513	3.930	10	20	HHCD	
C[S@@](=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743150699	GSKQLCVDSWNVCC-MHTXLSKPSA-N	423.485	3.816	10	20	HHCD	
CN(C[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)OC(C)(C)C	745788584	NEDHYPVAEZVLNQ-IBGZPJMESA-N	416.566	3.610	10	20	HHCD	
COc1cccc(CNC(=O)NCC2(c3ccccc3Cl)CCOCC2)c1O	745810173	XWEDYGVQNFJWDW-UHFFFAOYSA-N	404.894	3.602	10	20	HHCD	
O=C(NCCCc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)c(F)c1	746231870	SZJXWAPBUBFPQL-UHFFFAOYSA-N	405.901	3.748	10	20	HHCD	
COC(=O)[C@@H](c1cccnc1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	746514108	STHJJNVLQCYDHQ-HXUWFJFHSA-N	411.502	3.773	10	20	HHCD	
COc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC	746979442	KIDZVYLXZHRKSL-GOSISDBHSA-N	401.482	3.956	10	20	HHCD	
CCc1ncsc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	747373783	AGDIOCYQQCUQIX-UHFFFAOYSA-N	414.453	3.883	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1	749615554	WWWCYOUJHABGKP-QZTJIDSGSA-N	414.619	3.786	10	20	HHCD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	751664627	QFIKSQDRPWYTAG-INIZCTEOSA-N	424.932	3.761	10	20	HHCD	
O=C(C[C@H]1CSCCS1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	752016748	UEAGVTBBMQXAIC-CJNGLKHVSA-N	402.532	3.612	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](c3ccc(F)cc3)c3cccnc3)cc2)C1	753626139	PNTNBZMEHXUYRX-QPPBQGQZSA-N	418.516	3.802	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)c([N+](=O)[O-])c1	753977748	KAMWQUGADFIBJY-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1	754182658	GUJWIJMYODDJAQ-UHFFFAOYSA-N	407.436	3.845	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755362178	HPLDRIOGXLGYLH-ZDUSSCGKSA-N	421.400	3.604	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1	756382189	AALWKVKJJASIMR-BZSNNMDCSA-N	412.530	3.639	10	20	HHCD	
COCCCN(C)CCN[C@H](C)c1cc(Br)cc(Br)c1O	756608400	AWGFDHBGNGVSOV-LLVKDONJSA-N	424.177	3.536	10	20	HHCD	
Cc1noc(C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2)n1	758365988	FDLLRWOBIFSEQP-OAQYLSRUSA-N	405.502	3.761	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1	760522925	LGQSWCWVNZOGDM-UHFFFAOYSA-N	415.559	3.583	10	20	HHCD	
C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(N2CCCCC2)cc1	765820533	LSWIZGBTZFNEBB-OFVILXPXSA-N	421.585	3.798	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H](O)C(F)(F)F	765888955	OYOCYUCNOMXBRT-CVEARBPZSA-N	408.380	3.859	10	20	HHCD	
Cc1ccc(C(=O)N2CCN(Cc3cc(Br)ccc3O)CC2)cc1F	768251774	KBYFZOGCSWFRDM-UHFFFAOYSA-N	407.283	3.560	10	20	HHCD	
CC(C)OCCCNC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	768317022	WNDRYIBSBMLQMA-UHFFFAOYSA-N	403.350	3.842	10	20	HHCD	
COc1ccc(CCC(=O)N2CCN(Cc3cc4c(cc3O)CCCC4)CC2)cc1	768439499	IDSNPRLKYPNYTL-UHFFFAOYSA-N	408.542	3.557	10	20	HHCD	
COc1cc(O)c(CN2CCO[C@@H](c3ccc(Br)cc3)C2)cc1OC	768441606	DXNMLTMRWTVJBM-LJQANCHMSA-N	408.292	3.745	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc2c(c1)COC2	768923031	WDUXBFVCSIXABL-UHFFFAOYSA-N	421.419	3.894	10	20	HHCD	
O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cccc(Br)c2O)C1	769201392	HAIFEKOTZVAERK-HNNXBMFYSA-N	408.271	3.690	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cccnc3Br)CC2)cc1	770282715	XVNPQFMPQKJMSG-UHFFFAOYSA-N	405.296	3.597	10	20	HHCD	
C[C@@H](NC(=O)c1occc1CN1C(=O)Cc2ccccc21)c1ccc(N(C)C)cc1	773011077	VTDPRSARGDRAIU-MRXNPFEDSA-N	403.482	3.926	10	20	HHCD	
CC(C)(C)OCc1ccccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	773264211	RDJCJKDFXYTIRQ-UHFFFAOYSA-N	400.494	3.907	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1	773318560	SQDHKJFMBAOGHR-UHFFFAOYSA-N	416.566	3.685	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)c1ccc(N(C)C)cc1	773848161	UTWBOMKGYCSCAE-NSHDSACASA-N	411.836	3.823	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@@H](c3ccc4nc(O)oc4c3)C(C)C)CC2)cc1	774399005	NTSJSUVICPHLIF-HSZRJFAPSA-N	424.545	3.651	10	20	HHCD	
CCOC1CC(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)(N2CCOCC2)C1	774475913	JSFZBDTYGJVFKP-CDJWAVJASA-N	403.350	3.620	10	20	HHCD	
CO[C@@H]1CCC[C@@H]1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	775518741	XZHALDKCSUDPKA-KIWKMNIMSA-N	424.613	3.661	10	20	HHCD	
COc1ncc(/C=C/C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cn1	775849990	NMVDDGFMEAYESM-QPJJXVBHSA-N	409.467	3.565	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1	776036930	BUZYESYITKTMNH-UHFFFAOYSA-N	411.474	3.724	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1	778620931	TYTGSMNMBYXBEI-IEBWSBKVSA-N	418.582	3.978	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2CC2)cc1	781600967	GTOKXZLFAOQZRU-UHFFFAOYSA-N	412.446	3.693	10	20	HHCD	
Cn1cc(-c2ccc(F)c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)cn1	782753439	DCPSLRQIQBBPHF-LJQANCHMSA-N	409.461	3.753	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(c3ccccc3Br)CC1)[C@H](O)CO2	783984624	PPKAWYIRYWAGKC-LJQANCHMSA-N	404.304	3.960	10	20	HHCD	
Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)cc1	784217528	BJTSGWQKLJIDHV-UHFFFAOYSA-N	410.587	3.580	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3c(F)ccc(O)c3O)cc2)cc1	790070431	RPUOEVHHQGNHQI-UHFFFAOYSA-N	416.430	3.598	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@@H](c4ccnn4C)C3)cc2F)C[C@@H](C)O1	790486593	DEYUQDRHCIIQGD-HNBVOPMISA-N	400.542	3.989	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2occ3c2CCC3)NC(=O)OC(C)(C)C)cc1	796725370	BFDSLWVMZAOSJP-LJQANCHMSA-N	413.518	3.830	10	20	HHCD	
CCOc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c1	800540574	KCMCQANNWPYJAK-HXUWFJFHSA-N	413.518	3.980	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(F)c3)cc2Cl)C1	800636826	OWHVJZAPYOZTPP-AWEZNQCLSA-N	403.885	3.970	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1	801551739	QNLNNWLFEAZQBO-LJQANCHMSA-N	401.551	3.885	10	20	HHCD	
C[C@H](CCNS(=O)(=O)c1ccccc1)NCc1cc(-c2ccccc2)ccc1O	801734833	KARSSYGCMVDYHR-GOSISDBHSA-N	410.539	3.906	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)nn(-c2ccccc2)c1C	802610878	WOHFMXPQFKRODA-UHFFFAOYSA-N	420.513	3.962	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1)C1CCCCC1	803679455	SXUASEHVSJEFGW-QFIPXVFZSA-N	408.546	3.764	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)NCC(C)(C)C3CCCCC3)CC2)cc1	804315161	GDXLWPMFNZVOAL-UHFFFAOYSA-N	415.578	3.503	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccccn1	804702261	WMQYZEAOCOMDKV-JOCHJYFZSA-N	408.546	3.592	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccccc1CN1CCOCC1	806221906	BRTRQUVAXJTOBD-UHFFFAOYSA-N	410.301	3.853	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1C(=O)Cc1ccccc1	807840318	YUSYXDXVBCYKEW-KRWDZBQOSA-N	407.297	3.549	10	20	HHCD	
Cc1cnc(Br)c(NC(=O)NCc2cccc(Br)c2O)c1	813002194	RPPJKQTZBFUDFL-UHFFFAOYSA-N	415.085	3.942	10	20	HHCD	
Cc1cc(CCNC(=O)C[C@@H](NC(N)=O)c2ccccc2)c(C)n1-c1ccccc1	822093688	FRLAOZIANWTHEY-JOCHJYFZSA-N	404.514	3.553	10	20	HHCD	
CC(C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC(O)CC1	857472627	MVMNFYCCMGGVSR-AVAKVYKDSA-N	408.970	3.704	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	915082658	OQIDXFONPDBBHH-UHFFFAOYSA-N	402.498	3.588	10	20	HHCD	
Cc1ccc(OCCCCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	916508027	BCZUTHTXCOYOIJ-UHFFFAOYSA-N	411.546	3.832	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)c2C)cc1	916794017	UWDZWPMIYIJTBE-UHFFFAOYSA-N	416.474	3.502	10	20	HHCD	
Cc1ccccc1-c1csc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)n1	917885978	LDFBBQCNZDHSRA-UHFFFAOYSA-N	413.524	3.812	10	20	HHCD	
Cc1cc(C(=O)NCCCn2cccn2)c(C)n1-c1ccccc1Br	918068359	LLOYGKKXIVOJQE-UHFFFAOYSA-N	401.308	3.873	10	20	HHCD	
CCCCN(CC(N)=O)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	918133562	FZDSNDDZODIYBH-UHFFFAOYSA-N	406.324	3.584	10	20	HHCD	
C[C@H](Cc1ccccc1Cl)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918215719	KEHFLKYMFJMVFT-OAHLLOKOSA-N	419.928	3.871	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(COc3ccccc3)c2)cc1	918245678	AUKWMICNNICVMZ-UHFFFAOYSA-N	403.482	3.587	10	20	HHCD	
COc1ccc(N2CCCN(Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC2)cc1	919722373	ZDEHHUJLFLCDBW-UHFFFAOYSA-N	422.554	3.630	10	20	HHCD	
O=C(Nc1cc(C(F)(F)F)cnc1O)N(Cc1ccccc1O)C[C@H]1CCCO1	920061583	ZZQBMKVUTOFDCB-CQSZACIVSA-N	411.380	3.725	10	20	HHCD	
CCO[C@@H]1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1	920225597	FMYQEKHIJVNBCI-RGHBXIHOSA-N	424.613	3.757	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2c(C(C)C)noc2n1	920882504	RELQJFZAMAYSIJ-INIZCTEOSA-N	408.502	3.982	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cc1	921154024	MTILXMCKUKAPND-UHFFFAOYSA-N	419.500	3.760	10	20	HHCD	
O=C(/C=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788424310	VNCAWSIESCDFHY-CMDGGOBGSA-N	419.437	3.547	10	20	HHCD	
COc1ccccc1COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	10924994	IQTGKMPVWYEWBJ-UHFFFAOYSA-N	417.373	3.736	10	20	HHCD	
Cc1cc(Oc2ncccn2)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1	65481525	KILPCTFIHSERHV-UHFFFAOYSA-N	419.485	3.736	10	20	HHCD	
C[C@H](c1ccccc1)N(CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1O	216482786	BJOPWLAHEBKVGL-QGZVFWFLSA-N	407.470	3.574	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCN(C3CCCC3)C2)C1	444188435	UIWYJUGVUYKVOM-LJQANCHMSA-N	408.590	3.541	10	20	HHCD	
Cc1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cc1C(=O)N1CCOCC1	470129290	VKIJHAIPZYRIRR-UHFFFAOYSA-N	420.513	3.589	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc(N2CCOCC2)cc1	806542533	UVZPIQOWMBNVAR-SKPFHBQLSA-N	422.573	3.546	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CCCCN3CCOCC3)cc2Cl)C1	800571147	GBWBQJAOZVDOLQ-GOSISDBHSA-N	407.986	3.695	10	20	HHCD	
C[C@@H](Sc1ccccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(N)=O	801083920	QYELVOQKCSNMHP-QGZVFWFLSA-N	411.571	3.915	10	20	HHCD	
Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807512846	LORXQPUXBVYAKT-UHFFFAOYSA-N	410.301	3.637	10	20	HHCD	
Cc1cc(CC(=O)NCC2(S(C)(=O)=O)CCCC2)c(C)n1-c1ccc(Cl)cc1	804699038	CADLSOXYCWOGGA-UHFFFAOYSA-N	422.978	3.764	10	20	HHCD	
C[C@H](NCc1cccc(Br)c1O)c1ccc(N2CCCNC2=O)cc1	812801557	VNSYFBLVUQUXCR-ZDUSSCGKSA-N	404.308	3.925	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](O)c2ccc(Cl)cc2F)cc1	813428961	AABFEDUNXZNGCD-GHTZIAJQSA-N	420.912	3.786	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1	812941302	HSNXEJZFWOKTPF-QGZVFWFLSA-N	409.534	3.541	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ncn(C)n2)c(C)n1-c1cc(Cl)cc(Cl)c1	811356630	GCOXYPDNHYEYGV-UHFFFAOYSA-N	407.257	3.569	10	20	HHCD	
Cc1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c(C)o1	814504480	SSUQTJXYOBVJCJ-UHFFFAOYSA-N	410.426	3.510	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cn1	726986314	OKTFOODLLHFRKT-OQLLNIDSSA-N	418.496	3.522	10	20	HHCD	
C[C@@H](c1ccccc1)[C@@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(N)=O	813608156	CSDGTNZDZNQUDF-FDDCHVKYSA-N	422.573	3.912	10	20	HHCD	
Cc1nsc(NC2CC2)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	815835599	YTINNMPCONQPBW-MRXNPFEDSA-N	420.966	3.779	10	20	HHCD	
COC(=O)CSCc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1	728695490	CAEQOZDXFOGCCE-UHFFFAOYSA-N	405.495	3.620	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3(c4ccc(OC)cc4)CCOCC3)CC2)cc1	726562437	KFAAXHUYWHRATE-UHFFFAOYSA-N	424.541	3.537	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)CSC)c2C)cc1	731389529	JAIOYHKDAASYPY-CYBMUJFWSA-N	403.500	3.606	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(NC(=O)c2ccncc2)cc1	733847910	HAZFEKIJFOQNLW-INIZCTEOSA-N	404.470	3.942	10	20	HHCD	
CCCC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731404395	LEZNPABZGURZBS-SFHVURJKSA-N	406.546	3.510	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2)C1	918118235	PQMCNMSYDGLQTA-DOIPELPJSA-N	412.578	3.546	10	20	HHCD	
Cc1cc(CC(=O)NCc2ccc(-n3cncn3)nc2)c(C)n1-c1ccc(Cl)cc1	915631393	FWMAJYIVXQIGHV-UHFFFAOYSA-N	420.904	3.582	10	20	HHCD	
COC(=O)N(C)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	919914575	HMRNRXXGXIYEMY-LJQANCHMSA-N	413.474	3.808	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)CN1CCCC1=O	916438911	ZOVYSYVBNQWFSS-SFHVURJKSA-N	419.447	3.921	10	20	HHCD	
O=C(NCCc1cccc(O)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745798766	ATMAIVIUEWJRCN-MRXNPFEDSA-N	405.445	3.504	10	20	HHCD	
O=C(NCCCSc1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1	918175176	FDKKDCLNDPZCLQ-UHFFFAOYSA-N	413.587	3.877	10	20	HHCD	
O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742797496	DICNFEAVNLENAM-HNNXBMFYSA-N	405.401	3.524	10	20	HHCD	
Cc1cc(CCNC(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)n1-c1ccccc1	915328207	NJEAXAYSJQGFIN-UHFFFAOYSA-N	404.470	3.789	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C)cc1Br	918303362	GFKRIBMXRMKSGW-UHFFFAOYSA-N	418.335	3.811	10	20	HHCD	
CC(C)C[C@@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903252	FBTRDJWBCQBTDC-SJLPKXTDSA-N	411.493	3.713	10	20	HHCD	
CCN(Cc1ccncc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905779	QWOITYMKYXIOHT-QGZVFWFLSA-N	404.461	3.884	10	20	HHCD	
C[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	744280325	JNJYBXADHSOZAE-ZACQAIPSSA-N	400.498	3.737	10	20	HHCD	
CC(C)(C)c1ncc(/C=C\C(=O)N2CCCc3ccc(S(C)(=O)=O)cc32)s1	742610722	GCNFQUIDFUWYRV-NTMALXAHSA-N	404.557	3.837	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OCCC(C)C)cc2)c1	746038812	JMPRYTFCERNEAN-OAHLLOKOSA-N	400.475	3.642	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cccc(Cl)c3C)CC2)cc1	920251449	OTDIAYLHXDEFTL-KHPPLWFESA-N	413.905	3.501	10	20	HHCD	
COCCOC[C@H](C)N[C@H](C)c1cc(Br)cc(Br)c1O	756732069	GTBHLJVTYMIFLX-VHSXEESVSA-N	411.134	3.619	10	20	HHCD	
Cc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)n1	755640680	WMQXVQXXKYDTGX-UHFFFAOYSA-N	401.378	3.634	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)cc(OC)c1OC	759220738	MEYJFUTWOGQUPS-UHFFFAOYSA-N	410.514	3.554	10	20	HHCD	
C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cc(Br)cc(F)c1O	756634726	OKGFCTQOXIKPOA-LLVKDONJSA-N	416.312	3.689	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)c1	769972940	BBOHRLYBQZJMSB-NJBZPOFQSA-N	414.527	3.862	10	20	HHCD	
COc1ccc(N2CCC(NCC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1	765852199	SUITWAWYTQZTJH-GOSISDBHSA-N	403.567	3.901	10	20	HHCD	
COc1cc(Cl)cc(CN2CCCN(C(=O)CCc3ccccc3)CC2)c1O	761194708	FPMWBSSLRUXEQK-UHFFFAOYSA-N	402.922	3.721	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(C)c(=O)c2ccccc12	760440670	NAJAADZRSHMUIQ-UHFFFAOYSA-N	415.287	3.669	10	20	HHCD	
COC[C@H](C)NS(=O)(=O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1	863992324	VGJKHMIVQYLEGW-SFHVURJKSA-N	417.575	3.602	10	20	HHCD	
COc1cc(Cl)cc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1O	761192647	WLYPHPZUBLROQP-GFCCVEGCSA-N	410.301	3.953	10	20	HHCD	
Cc1cc(F)ccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769615026	NCVSGRARQWEALI-UHFFFAOYSA-N	406.460	3.954	10	20	HHCD	
CC(C)OC(=O)C[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	766088330	XORNVARSGPBQPO-LJQANCHMSA-N	419.591	3.503	10	20	HHCD	
Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	768067029	CSJPEKJDUCJYQH-UHFFFAOYSA-N	418.497	3.522	10	20	HHCD	
O=S(=O)(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cccc2nonc12	765058844	FXEQGLUODNWTJI-UHFFFAOYSA-N	416.846	3.651	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(Cc2cccnc2)CC1	770757476	UQCSFHXIDUDOMK-UHFFFAOYSA-N	410.587	3.799	10	20	HHCD	
Cc1ccc(C(=O)NCC2CC2)cc1NCc1ccc(N2CCN(C)CC2)c(F)c1	1116726955	YXBOFLJZXOSSLH-UHFFFAOYSA-N	410.537	3.638	10	20	HHCD	
COc1cccc(OC)c1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O	776190346	SDFKIMIVLBKGQL-MHWRWJLKSA-N	401.465	3.808	10	20	HHCD	
COc1cc(-c2noc(CN[C@@H](C)c3ccc(N(C)C)cc3)n2)cc(OC)c1OC	775833954	ILCPPNKAFOGNMT-AWEZNQCLSA-N	412.490	3.679	10	20	HHCD	
Fc1cc(CN2CCCN(CCCc3ccccc3)CC2)ccc1N1CCOCC1	1116438351	BZRSKPCEPCHGHU-UHFFFAOYSA-N	411.565	3.803	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1O	775031426	DJAUFTXEFOQHDM-QVKFZJNVSA-N	416.474	3.724	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC[C@H](N2CCCC2)C1	775658733	PSIOGCQCJCSBPL-AWEZNQCLSA-N	418.173	3.977	10	20	HHCD	
CO[C@@]1(C(F)(F)F)CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	780494655	AHRVVKGKAGSOSQ-FQEVSTJZSA-N	409.404	3.872	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCc2ccccc21	788931819	GWKJUQZWFFMSRU-HSZRJFAPSA-N	405.542	3.829	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1F	782896532	QNVQDCSHOMBYDE-UHFFFAOYSA-N	400.450	3.840	10	20	HHCD	
COC(=O)c1n[nH]c2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc12	782774791	HBQOTSCCGPBZPX-UHFFFAOYSA-N	409.490	3.858	10	20	HHCD	
COc1ccc2cc([C@@H](C)OC(=O)c3cc(NS(C)(=O)=O)ccc3O)ccc2c1	783152918	ROHFYTIXBAHQIU-CYBMUJFWSA-N	415.467	3.844	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1nc2c(s1)CCC2)c1ccc(N)cc1	789753140	ZUBCNIAOEFMDJA-CQSZACIVSA-N	406.511	3.947	10	20	HHCD	
Cc1ccc([C@H](CCn2cncn2)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	783221102	GINJAXJEBDEHAI-VWLOTQADSA-N	419.573	3.716	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1	791248430	PKNPZTRRTGFVOO-DEOSSOPVSA-N	424.541	3.996	10	20	HHCD	
CCn1ncc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C(F)(F)F	799237852	MZJNTNXIABQCDZ-CYBMUJFWSA-N	411.428	3.641	10	20	HHCD	
C[C@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)cc(F)c1O	797041280	COPKPYWCAGGVQE-JSGCOSHPSA-N	414.319	3.625	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c(O)c1	792818314	DPARFZMPKOVITQ-MRXNPFEDSA-N	407.470	3.935	10	20	HHCD	
COC(=O)[C@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccc(OC)c(O)c1	792181616	SPAZKIQWKIBPJV-HSZRJFAPSA-N	423.465	3.689	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ncccc3Br)cc2F)C[C@H](C)O1	793118799	RPQJUGLDFOTGBQ-STQMWFEESA-N	422.298	3.527	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1	1256581482	OWWGKOXHOUVWOV-UHFFFAOYSA-N	402.970	3.503	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1	17641924	UHLXTFKPFSDTBT-UHFFFAOYSA-N	400.482	3.909	10	20	HHCD	
CN(c1ccc(CNC(=O)CCc2nc(-c3ncccn3)no2)cc1)C1CCCCC1	72094488	UUPMOMYFVHHTHZ-UHFFFAOYSA-N	420.517	3.545	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCC[C@H]2OC(F)F)C1	501299986	IVIWMDZZYRMRDU-YLJYHZDGSA-N	405.489	3.684	10	20	HHCD	
COCCN(Cc1cncs1)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	468572933	AUQJYVMMKTVGQG-UHFFFAOYSA-N	401.532	3.650	10	20	HHCD	
Cc1c(CNC(=O)N[C@H](CO)c2cccc(Br)c2)n(C)c2ccccc12	472220770	JTPPAGNBKYFRBB-QGZVFWFLSA-N	416.319	3.782	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc(F)ccc1OC(F)F	807512617	AINUMPNGTPLXHP-UHFFFAOYSA-N	423.174	3.694	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1nc(-c2ccccc2)cs1	801182468	OXSROYFEASYTBZ-UHFFFAOYSA-N	416.886	3.985	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1	800836896	AZAZOXDAZUSSPL-UHFFFAOYSA-N	419.528	3.577	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCOC[C@@H]1CC(F)F	807384053	WHZSTSYZVJGWFD-KRWDZBQOSA-N	402.401	3.923	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCCCC1	803300613	UOMDNOOJPGJXPS-XMSQKQJNSA-N	415.578	3.566	10	20	HHCD	
CC(C)OC(=O)C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	809763521	OQOPLBXBRYSDMK-NRFANRHFSA-N	400.494	3.835	10	20	HHCD	
CC[C@H](NCC1CCN(S(=O)(=O)CC)CC1)c1ccc(C(F)(F)F)cc1O	810237429	SFEBYRSPHRWOSP-INIZCTEOSA-N	408.486	3.513	10	20	HHCD	
CO[C@@H]1CCC[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1	815710873	XWCMQCLERONYSM-SXLOBPIMSA-N	419.566	3.640	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1	728222239	BBKUWVUWFBCGIS-UHFFFAOYSA-N	407.474	3.899	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)C2CC2)cc1	729313967	CKZSKJPMZYRXGE-UHFFFAOYSA-N	419.447	3.692	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCN(c3ccc(Cl)cn3)CC2)c1O	728197923	ISYDDNDUHHQEHO-UHFFFAOYSA-N	423.900	3.699	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	726249495	HWVIITUAFSAJNZ-WBVHZDCISA-N	422.545	3.727	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H]2CCC(=O)N(C)C2)c(C)n1-c1cccc(Br)c1	820402371	JZMSRMMZIXPCNV-QGZVFWFLSA-N	418.335	3.549	10	20	HHCD	
CCS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731015995	AMICLYKPTPCDRV-UHFFFAOYSA-N	415.559	3.615	10	20	HHCD	
CC(C)N(C)c1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	731754808	GACBSQNFZHKLGC-LJQANCHMSA-N	423.561	3.555	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COc3c(OC)cccc3C(N)=O)c2C)cc1	836762692	CKGRFDOLBIAATQ-UHFFFAOYSA-N	422.481	3.862	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2nc(N3CCCC3)ncc2Cl)cc1F	731345796	JJYGQEGCTSSBTP-UHFFFAOYSA-N	405.905	3.646	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1	734468057	HJTAMMRJNDFPDO-HSZRJFAPSA-N	401.510	3.849	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3cc(Cl)cc(Cl)c3)nc12	917147411	IKQVZNLFLPGZGZ-UHFFFAOYSA-N	409.273	3.550	10	20	HHCD	
Cc1ncsc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742754552	PUBCOKZUZRBRRZ-MRXNPFEDSA-N	404.536	3.513	10	20	HHCD	
O=C(Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1)C1CC1	916678219	PVJZHYSTGNIOTR-FQEVSTJZSA-N	409.486	3.954	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](c3ccccc3)n3cccn3)cc2F)C[C@@H](C)O1	747643166	ZDFDOXKXECNMRO-PMAPCBKXSA-N	422.504	3.542	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(N4CCCNC4=O)CC3)c2C)cc1C	749544489	GWENGNRCEVBCIJ-UHFFFAOYSA-N	422.573	3.773	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2N(C)C)cc1	918433796	HNGDNFLKWVHAMQ-UHFFFAOYSA-N	402.926	3.507	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)C1	919964794	ZKMDSNFVYOWXLF-AWEZNQCLSA-N	422.407	3.927	10	20	HHCD	
O=C(NCCc1ccc(Cl)s1)NCc1ccc(N2CCC(O)CC2)c(F)c1	918215747	LFCYTVRCGDPJFD-UHFFFAOYSA-N	411.930	3.544	10	20	HHCD	
C[C@@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc2ccccc2c1O	756577930	STAFBTHSGCCSPG-CYBMUJFWSA-N	416.465	3.758	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc(F)c1F	758161411	FERWHPKBTQUCSJ-UHFFFAOYSA-N	412.197	3.565	10	20	HHCD	
CCS(=O)(=O)C[C@H](C)N(C)CC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C	754649378	CYIZVQILIPRUAY-INIZCTEOSA-N	422.616	3.754	10	20	HHCD	
CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)c1	757621321	BQLNJTCQUUEKLC-LSDHHAIUSA-N	420.531	3.570	10	20	HHCD	
Oc1ccccc1CN(C[C@@H](O)c1ccccc1Br)C[C@H]1CCCO1	752015300	LVXRYADPJFHBTD-OXQOHEQNSA-N	406.320	3.869	10	20	HHCD	
COCCC(C)(C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	752355618	PULWWVOBZBXYAK-OWBHPGMISA-N	412.602	3.661	10	20	HHCD	
Cc1ccc(Cl)c(OC[C@H](O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c1	754067738	PTQIUNNMYDEHKA-RTBURBONSA-N	405.922	3.775	10	20	HHCD	
COc1ccc([C@@H](NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C2CC2)cc1	753821660	XETWVAJMYDTHGM-QFIPXVFZSA-N	413.493	3.826	10	20	HHCD	
Cc1ccc([C@@H](C)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c(O)c1C	756462916	BICSAXGNKQBYQB-QUCCMNQESA-N	412.530	3.534	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1	756685975	PHWWMFRLHCTKAB-YWZLYKJASA-N	418.921	3.556	10	20	HHCD	
O=C1OC(c2ccccc2C(F)(F)F)=N/C1=C/c1ccc(N2CCOCC2)cc1	755032628	QAKYUJLYYVVAHU-QGOAFFKASA-N	402.372	3.887	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1	752022993	GZILVILLLQLJGZ-QGZVFWFLSA-N	412.490	3.895	10	20	HHCD	
CCc1cccc(CC)c1NC(=O)C(=O)NCc1cccc(Br)c1O	765926543	MSINVAPINQKCPD-UHFFFAOYSA-N	405.292	3.534	10	20	HHCD	
CN(Cc1cccc(Br)c1O)C1CCN(CCc2ccccn2)CC1	769184482	JLTGUNIAGNJWBR-UHFFFAOYSA-N	404.352	3.689	10	20	HHCD	
O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc([C@H]2CCCO2)no1	762246119	ZATNDESVNAFHQW-YGYTWAPGSA-N	407.542	3.817	10	20	HHCD	
Cc1coc(-c2cc(NC(=O)C(=O)NCCCSc3nccs3)ccc2C)n1	764267747	KKTBWQVWIFKMAH-UHFFFAOYSA-N	416.528	3.652	10	20	HHCD	
Cc1cncc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1	762145347	PHVQLDHPCPPUQK-SXGWCWSVSA-N	417.581	3.749	10	20	HHCD	
O=C1N[C@@H](c2cccs2)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	761154559	BRHLFHGDQWHESZ-INIZCTEOSA-N	407.442	3.611	10	20	HHCD	
C[C@@]1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO[C@@H]1C1CC1	767955971	RKXLYOHYQLGHMD-KNQAVFIVSA-N	423.504	3.761	10	20	HHCD	
Cc1ccc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1[N+](=O)[O-]	762020271	CDPLAPIYBYHANE-LBPRGKRZSA-N	403.822	3.788	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3OC(F)F)CC2)cc1F	760073027	VAVJZSOTZYTHEA-UHFFFAOYSA-N	413.371	3.929	10	20	HHCD	
COc1cccc(S(C)(=O)=O)c1NNC(=S)Nc1ccc(Cl)c(Cl)c1	767423222	HAOOYMLRZUQEPB-UHFFFAOYSA-N	420.343	3.719	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cccc(OCC(F)F)c1	761220094	AQEHRIZFUICYIN-UHFFFAOYSA-N	410.804	3.654	10	20	HHCD	
COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc(OC)ccc1O	764156847	GGGWOGMXWQXWCC-LBPRGKRZSA-N	406.460	3.539	10	20	HHCD	
CCOc1ccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1	1116409950	MJQQDRVKHMSROS-UHFFFAOYSA-N	414.449	3.615	10	20	HHCD	
COCCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C	777217291	KCAJECHKURKAJP-XZOQPEGZSA-N	414.546	3.768	10	20	HHCD	
CCO[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1	771064060	GYNXHOYLUYMAPC-CTNGQTDRSA-N	402.922	3.904	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc(N3CCCCC3)cc2)s1	773079283	YHLBQDXUXOZDAR-QGZVFWFLSA-N	407.605	3.676	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)c1	775370975	YIFMSMURRHKVDY-UONOGXRCSA-N	421.335	3.861	10	20	HHCD	
Cc1cc(C(=O)CN2CCC3(CC2)CNC(=O)O3)c(C)n1-c1ccc(F)c(Cl)c1	782000579	UQCWYLVKLBQFPV-UHFFFAOYSA-N	419.884	3.644	10	20	HHCD	
CC[C@H](CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1	785386039	HSDKQODNPBYABR-GOSISDBHSA-N	406.482	3.824	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(OCCC(C)C)cc3)cc2)CC1	786255270	MKTPBCVIADQINU-UHFFFAOYSA-N	423.557	3.710	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2sc(-c3ccccc3)nc2C)c1	784701020	DUCXLSCCPSIXEW-GFCCVEGCSA-N	411.483	3.649	10	20	HHCD	
Cc1cccc(CC2(O)CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)c1	793043628	SHEKLHSABBEKQC-UHFFFAOYSA-N	405.542	3.650	10	20	HHCD	
CCOc1ccc(NCc2ccc(N(C)C)cc2)cc1S(=O)(=O)N(CC)CC	796392716	AVXXIKJQEOGHEV-UHFFFAOYSA-N	405.564	3.794	10	20	HHCD	
COc1ccccc1-n1nccc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	797464776	GTSVKXQJIGLYJK-ROUUACIJSA-N	424.520	3.923	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c(Br)c1	794595904	VONFKCGKCWOBCO-UHFFFAOYSA-N	416.293	3.751	10	20	HHCD	
Cc1ncnc(O)c1CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	1321716463	FVVNYQJBFVIDCY-AWEZNQCLSA-N	402.926	3.629	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCc3cnn(-c4ccccc4)c3)CC2)cc1	1253443220	RYRDYZQRMYADGU-UHFFFAOYSA-N	404.514	3.552	10	20	HHCD	
Cc1cc(C(=O)CSc2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	5710516	IGKMAURNSTYWMK-UHFFFAOYSA-N	400.525	3.717	10	20	HHCD	
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cc2c(cc1[N+](=O)[O-])OCCO2	147622719	ASUJMLZNNZOXCH-XFFZJAGNSA-N	411.801	3.674	10	20	HHCD	
CS(=O)(=O)c1ccc(Nc2ccc(NC3CCCCC3)cc2)c(S(C)(=O)=O)c1	301146251	GMGGMBUKPIHWDH-UHFFFAOYSA-N	422.572	3.982	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1nc2ccc(F)cc2s1	302832370	HSNALLRATNIFKA-INIZCTEOSA-N	415.490	3.761	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1	303896169	VMORVGIEZGANFR-LJQANCHMSA-N	415.493	3.860	10	20	HHCD	
Cc1c(CNC(=O)NCCC2CCN(CC(F)(F)F)CC2)n(C)c2ccccc12	472000737	FIUPMIGGGLDVQZ-UHFFFAOYSA-N	410.484	3.950	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCn4c(nnc4C4CCCC4)C3)ccc21	533194035	UUOWLXQAXCFDJF-UHFFFAOYSA-N	421.545	3.810	10	20	HHCD	
Cn1cc(C(=O)N2CCc3cc(Br)cc(F)c32)c(-c2cccnc2)n1	675707464	DHJABZBGIMGLRR-UHFFFAOYSA-N	401.239	3.587	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2nccn2C(F)F)cc1	726708823	IBDXQMDVIZAPTP-UHFFFAOYSA-N	403.433	3.849	10	20	HHCD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	727724205	AKAKGBLFAFPLBF-HSZRJFAPSA-N	419.566	3.565	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	728022017	KNDCHSBJPWJVAS-UHFFFAOYSA-N	417.575	3.955	10	20	HHCD	
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	730074358	BNATYBMKVSMUBT-LJQANCHMSA-N	403.592	3.631	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1csc(I)c1	730771149	COTSYFKZOHYUIR-UHFFFAOYSA-N	412.296	3.883	10	20	HHCD	
COC1CCN(C2(CNC(=O)NCc3ccc(N4CCCC4)cc3)CCCC2)CC1	730900633	APGNFHAWNZDXQW-UHFFFAOYSA-N	414.594	3.510	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3cccc(Cn4cncn4)c3)cc2)CC1	731105891	OXZBAMRVVCGYHQ-UHFFFAOYSA-N	404.518	3.884	10	20	HHCD	
O=C(OCCOCC(F)(F)F)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	733385968	NAYZXHCHJFUSQY-UHFFFAOYSA-N	412.747	3.851	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@@H]1CCCCN1C(=O)OCc1ccccc1	733973562	PGJOGPVULZBKIE-KRWDZBQOSA-N	419.572	3.933	10	20	HHCD	
CC[C@H](C(=O)NCc1ccc(N(C)C)cc1C)n1nnc(-c2ccc(Cl)cc2)n1	734402064	FJGWVZIRQDPJAA-LJQANCHMSA-N	412.925	3.635	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C	734675191	GUIYLXBSEDOCRO-HXUWFJFHSA-N	404.505	3.865	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc2c(c1)OCCO2	740911550	KQWSACUQCQZATM-UHFFFAOYSA-N	407.514	3.611	10	20	HHCD	
COc1cc(N(C)CC(=O)N(Cc2ccco2)c2ccccc2)cc(OC)c1OC	741795295	IVJLNVZDNHMJRS-UHFFFAOYSA-N	410.470	3.975	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(C)C)c1	743910552	RGECFAHGTBWZGF-UHFFFAOYSA-N	408.907	3.810	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cn2ccsc2n1	745359318	LCALJUNNWQSROW-UHFFFAOYSA-N	409.309	3.596	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2NC(=O)NCc2ccc3c(c2)CCCN3C)C[C@H](C)O1	746764341	WCYBEVOLANPXGG-OALUTQOASA-N	422.573	4.000	10	20	HHCD	
CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	749576281	RSQHFULDMFVFJS-UHFFFAOYSA-N	404.558	3.869	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1CCC(C)C	749772280	VSYPUDHYEIPTEV-CALCHBBNSA-N	416.541	3.920	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1O	750817842	WHOMKYPWNDMZGX-CYBMUJFWSA-N	405.857	3.633	10	20	HHCD	
CCNC(=O)C1(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCC1	753113170	SPLUYXGWNUWMHY-UHFFFAOYSA-N	400.567	3.561	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1	753736312	UYQMSNPZCQAKRL-QPPBQGQZSA-N	423.557	3.833	10	20	HHCD	
COc1ccc(C(F)(F)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	755579484	RVLZSSXMUPXHRJ-GJZGRUSLSA-N	422.447	3.856	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1F	756065692	IYOIPYJIIDQQMO-OHZJNBGDSA-N	405.539	3.970	10	20	HHCD	
CC(C)(C)OCCCOC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	757024483	QLNYSLGEUPXEKX-UHFFFAOYSA-N	411.410	3.732	10	20	HHCD	
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)NCCCSc2nccs2)CC1	759602828	MUZNSRJUDCBKPE-UHFFFAOYSA-N	422.551	3.825	10	20	HHCD	
O[C@H](CNCc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccc2)c1	760704907	XCHPNHGMQHCKEC-AREMUKBSSA-N	418.537	3.925	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCCOCCc1ccccc1	761096874	GNNJRLHTBFPVRY-UHFFFAOYSA-N	416.905	3.849	10	20	HHCD	
CCOc1cc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc(Cl)c1O	762582648	QWEJPVXIXXJYRX-UHFFFAOYSA-N	404.894	3.805	10	20	HHCD	
CCCn1c(/C(Cl)=C/c2cncs2)nc2cc(S(=O)(=O)N(C)C)ccc21	767723588	XWTBRJIAYMLNJM-ZSOIEALJSA-N	410.952	3.890	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnn(CC(C)C)c3C3CC3)CC2)cc1F	768426836	UWGYFBBFXDEPJD-UHFFFAOYSA-N	400.498	3.527	10	20	HHCD	
CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc2c(cc1O)CCCC2	768443821	ULICQIBLPWOESY-UHFFFAOYSA-N	403.544	3.575	10	20	HHCD	
CC(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1	770223284	NSZGAHPJMNMPIF-UHFFFAOYSA-N	400.544	3.789	10	20	HHCD	
COC(=O)c1ccccc1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	770526378	YHMAFLYWRAROTG-UHFFFAOYSA-N	408.420	3.673	10	20	HHCD	
COc1ccccc1C1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	771054985	WSXUPANBQGWIIV-GOSISDBHSA-N	414.933	3.867	10	20	HHCD	
O=C(Cc1cc(F)c(F)cc1F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771055689	CKPHUZZJDRBRIY-OAHLLOKOSA-N	412.839	3.786	10	20	HHCD	
COc1cccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1F	771248843	OIOWPXMXBKBVAZ-ZIAGYGMSSA-N	405.445	3.909	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(OC)c4cccnc34)CC2)cc1F	771288573	TXCCTWZDXPPKNA-UHFFFAOYSA-N	410.449	3.745	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc(-c4ccc5nnc(C)n5c4)no3)ccc21	771547586	PKSQKNPDBINYKZ-UHFFFAOYSA-N	402.458	3.973	10	20	HHCD	
C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772117935	NCUVYFVWHROONG-HNNXBMFYSA-N	402.520	3.673	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2)oc1C	773843715	AJBHOBXJPOIBHM-HNNXBMFYSA-N	406.486	3.840	10	20	HHCD	
CCC(CC)n1nc(C)cc1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	775726175	QKDJZELIJKHKAI-UHFFFAOYSA-N	415.557	3.764	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	776078161	UXVVNIMWSJDABV-NRJQMVOHSA-N	416.493	3.998	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	776946893	CNTVRAPUCVKTGY-UHFFFAOYSA-N	417.531	3.669	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCCCc3ccc(C)cc3)cc2)CC1	786261374	CHTBCWKNQVRSAW-UHFFFAOYSA-N	407.558	3.693	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC1CCC(c2ccccc2)CC1	787319218	JUDUVGGPSSOEBB-UHFFFAOYSA-N	405.542	3.746	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(C)cnc3Cl)cc2F)CC1	787455763	IQBPRVRECXGEGK-UHFFFAOYSA-N	405.905	3.646	10	20	HHCD	
C[C@H](SCC(=O)c1ccc(O)c(O)c1)[C@H](C)SCC(=O)c1ccc(O)c(O)c1	790282360	KNPJPUZXNVSIHA-RYUDHWBXSA-N	422.524	3.818	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc(F)ccc1-n1cccn1	793185552	GZAYVABNRPHBBV-UHFFFAOYSA-N	419.504	3.796	10	20	HHCD	
COc1ccccc1C1(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCC1	793865537	USBKZTREUZLGTR-SFHVURJKSA-N	423.557	3.567	10	20	HHCD	
CNC(=O)COc1ccc(N[C@@H](C)c2cc(Br)c(F)cc2O)c(C)c1	794839639	HCEBNDMNARMOIN-NSHDSACASA-N	411.271	3.900	10	20	HHCD	
CC[C@@H](NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccc(F)cc1O	796674627	INKAVLJOBCMJHU-WOJBJXKFSA-N	418.509	3.663	10	20	HHCD	
Cc1cc(C(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c(C)n1-c1ccccn1	800683579	ZYPAFBCKSVKCIF-SFHVURJKSA-N	404.514	3.781	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(-c2cccc3cccnc23)n1C	800729090	MIOOJWVQAFIWBC-UHFFFAOYSA-N	414.513	3.503	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnc(Br)c(C)c1	802610848	VBNCIZWGRQPVCQ-UHFFFAOYSA-N	420.307	3.626	10	20	HHCD	
Cc1cc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1	803677433	OZXINQHQCXPLBG-JOCHJYFZSA-N	424.545	3.732	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N[C@H](c2cccnc2)C2CC2)cc1)C1CCCCC1	803677535	QIWXDQDWZZPQPJ-QHCPKHFHSA-N	420.557	3.734	10	20	HHCD	
Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C	807407425	OKTAYYSFYFCJEW-RDPSFJRHSA-N	424.589	3.664	10	20	HHCD	
COc1ccc(-c2nsc(NC(=O)NCc3ccc(N4CC=CC4)cc3)n2)cc1	809926924	WGAOLMMYYAJIPO-UHFFFAOYSA-N	407.499	3.912	10	20	HHCD	
Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	810391928	KSQXDUHWVZUOKC-UHFFFAOYSA-N	422.451	3.851	10	20	HHCD	
Cc1cc(CCNC(=O)c2ccc(N3CCNC3=O)cc2)c(C)n1-c1ccccc1	812617242	JMWUNALJYYZUKD-UHFFFAOYSA-N	402.498	3.596	10	20	HHCD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NCc1ccc(N2CCC(O)CC2)c(F)c1	815730536	JMOIEMHYBIZFDX-UHFFFAOYSA-N	415.896	3.780	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ncn(-c4ccccc4)n3)c2C)cc1	819186615	PYEPUJATXKCPFJ-UHFFFAOYSA-N	401.470	3.613	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnccc1C(F)(F)F	857472295	JRVBNXGVEYUPMT-AWEZNQCLSA-N	413.827	3.854	10	20	HHCD	
CCOc1ccc([C@H]2CCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1	916985250	ZKXLHULEANHFCC-XMMPIXPASA-N	423.557	3.580	10	20	HHCD	
CC(C)(C)c1cc(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c(O)c(C(C)(C)C)c1	917435322	ZBBSOIIOCJEXKF-UHFFFAOYSA-N	424.589	3.803	10	20	HHCD	
CC(=O)Nc1cccc(N2C(=O)/C(=C\c3cccc4c3OCCO4)SC2=S)c1	917644408	XOBBVTDEALMBPP-LICLKQGHSA-N	412.492	3.822	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc(OC)c1C	917709976	LGTIXTZBKDDNED-GJZGRUSLSA-N	416.493	3.695	10	20	HHCD	
Cn1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)c(-c2ccc([N+](=O)[O-])cc2)n1	920064550	FNDPUVJQDGIZQP-CXUHLZMHSA-N	423.479	3.796	10	20	HHCD	
CCCCn1c(N)c(N(Cc2ccccc2)Cc2ccc(N(C)C)cc2)c(O)nc1=O	920258833	XYEMOEAEZXLCOD-UHFFFAOYSA-N	421.545	3.604	10	20	HHCD	
O=C(Nc1ccc(-c2nc(Cc3nc4c(s3)CCCC4)no2)cc1)C1=S=CC=C1	1254836577	VBNWNOLMDCMDBD-UHFFFAOYSA-N	422.535	3.879	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1ccc(OC(F)(F)F)cc1	10735416	SBOWJHSFUZEVMC-UHFFFAOYSA-N	419.359	3.822	10	20	HHCD	
CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2O)[C@H]1c1ccccc1OC	109678741	ITUJNOOFNCPDQN-AUSIDOKSSA-N	410.514	3.797	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-c3ccco3)nc2O)cc1	303101854	HVFBIVKFIRCWAF-LJQANCHMSA-N	421.497	3.935	10	20	HHCD	
CCOc1c(OC)cc(CNC2CCN(c3ccc(OC)cc3)CC2)cc1OC	237049073	VNCPLTOOOXHFLE-UHFFFAOYSA-N	400.519	3.870	10	20	HHCD	
Cc1c(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cnn1-c1ccccc1F	804252863	BVLZFIXZMXBGTN-UHFFFAOYSA-N	414.824	3.648	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)c1	801173602	YNXYTXBUYIEFDK-APPDUMDISA-N	410.923	3.748	10	20	HHCD	
CC[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1O	806133247	KCTPAGBZBGCCDY-MLGOLLRUSA-N	414.285	3.908	10	20	HHCD	
CSc1cccc(F)c1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	805756767	KFVKEVRDRQFDJI-UHFFFAOYSA-N	421.513	3.647	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1nccs1	803677928	VGMQSSYOOUWCOT-LJQANCHMSA-N	414.575	3.796	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1Cl	806853040	HYZGIJNQJUFIQZ-UHFFFAOYSA-N	417.962	3.711	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1Br	802609921	OHTGCQSWXCFIRO-UHFFFAOYSA-N	405.292	3.922	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1	813844953	IGWRWTWPOGNOGV-FZMUQLTDSA-N	409.360	3.610	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H](c3nnc4n3CCC4)C2)c(C)n1-c1ccccc1	728914224	COOTXHVQWRRKFA-IBGZPJMESA-N	403.530	3.694	10	20	HHCD	
COc1ccc(N(C[C@H](O)COc2ccc(C(C)=O)cc2OC)C(C)C)cc1F	725816247	LVIXXFLGAXCLCE-SFHVURJKSA-N	405.466	3.700	10	20	HHCD	
O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCC1CC1	728764780	AQPBCHPEKDEQQN-NTUHNPAUSA-N	412.330	3.604	10	20	HHCD	
COC(=O)COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1	728838250	DUBTUNWMUCYHMB-UHFFFAOYSA-N	424.419	3.509	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)Nc3nc4ccc(C)cc4s3)CC2)cc1	728172121	BLZPIEROODHGJQ-UHFFFAOYSA-N	410.543	3.764	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=S)Nc3ccc(Cl)nc3)cc2F)C[C@@H](C)O1	727077208	FDCBBTMAOUQHDJ-CHWSQXEVSA-N	408.930	3.974	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)OCc3nc(-c4cccnc4)no3)c2C)cc1	823997479	YZOQADRCTILINE-UHFFFAOYSA-N	404.426	3.905	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1	728950538	RZPIOGBTYPRQQR-UONOGXRCSA-N	405.445	3.566	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccccc1Br)c1ccc(N2CCOCC2)cc1	726244701	FCNPLYSSCTUMIV-OAHLLOKOSA-N	418.335	3.846	10	20	HHCD	
CC(C)NS(=O)(=O)c1cccc(CNCc2cc(Cl)cc(Cl)c2O)c1	725847253	GSPITPULDGNUSW-UHFFFAOYSA-N	403.331	3.676	10	20	HHCD	
COc1ccccc1C[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	730480494	BDKNCSGPHLXEOJ-KRWDZBQOSA-N	400.494	3.556	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1nc2ccccc2s1	732918647	KAAPLKQHPXLIGE-CVEARBPZSA-N	410.543	3.811	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3nc(C)c(-c4ccccc4)o3)CC2)cc1	730161421	ZVGKYIMLYHSWMF-UHFFFAOYSA-N	405.498	3.940	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)Oc3ccccc3)cc2F)C[C@H](C)O1	733804054	WCWWUWCDSYHHKX-SQNIBIBYSA-N	415.509	3.706	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)/C=C(/C)c3ccccc3OC)cc2F)CC1	730194418	HNUMMELWOGEGDB-SDXDJHTJSA-N	411.521	3.696	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1	734866562	CIWPTWIMHIINSQ-XLIONFOSSA-N	401.457	3.798	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1	734006334	RRFARRPPRCENGL-UHFFFAOYSA-N	424.482	3.731	10	20	HHCD	
CC(=O)Nc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)SC2=S)c1	748358354	VMWWBMXYGCARQE-PXNMLYILSA-N	415.452	3.665	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OC[C@H]1CCCCO1	914083968	JETZQXSZUCYMSL-WDGDVPDHSA-N	411.570	3.842	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(-c4ccccc4OC)on3)CC2)cc1	918169066	JPIYWMZKWDJJEY-UHFFFAOYSA-N	407.470	3.711	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)c(C)n1-c1ccccn1	916806943	PMDKZWXDAGDBCE-UHFFFAOYSA-N	424.309	3.915	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2F)C[C@H](C)O1	917917821	IIYFAHQAGILMFA-KBPBESRZSA-N	412.914	3.571	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]3c3ccccc3)cc2F)C[C@@H](C)O1	748820376	QQGMGVYQELMHPM-KGVIQGDOSA-N	411.521	3.503	10	20	HHCD	
COc1cccc([C@H](C)N2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)c1	741089993	AKBGDZFCXSRXPA-FQEVSTJZSA-N	420.557	3.660	10	20	HHCD	
CC[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCS1	743555418	XZRDQMKUOAUBFA-INIZCTEOSA-N	417.497	3.579	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(C(F)F)c1Cl	755254938	LIRCXBIALKZWKO-UHFFFAOYSA-N	405.832	3.909	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1	756503837	NDTVJLWSKKQUKT-FOIQADDNSA-N	418.921	3.556	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](c1ccc(C)cc1)n1cncn1	756043794	BNSXWILILDSCOV-VWNXMTODSA-N	423.536	3.720	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(Cl)cc3C)CC2)cc(OC)c1OC	759221404	QBZCYJCPOLKZPN-UHFFFAOYSA-N	404.894	3.637	10	20	HHCD	
C[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)c(F)cc1O	757657144	MEYVAYHRCPUWDA-SJCJKPOMSA-N	422.298	3.531	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	758498447	WRBITASVCIWDSN-SJLPKXTDSA-N	404.555	3.587	10	20	HHCD	
CN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCN(CC(F)(F)F)C1=O	753547692	SHIGZDIOZJAHIT-SFHVURJKSA-N	408.420	3.566	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCCOc3cccc(C(C)=O)c3)CC2)cc1F	753746416	OWOSHVJVILSXHP-UHFFFAOYSA-N	414.477	3.545	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)c(C(F)(F)F)c(F)c1	757856818	KBARZFLKWMWCNZ-UHFFFAOYSA-N	418.337	3.889	10	20	HHCD	
CCCn1ccnc1CCCN(C)C(=O)NCc1ccc(N2CCSCC2)cc1	758366329	LRXYGZXOGACYML-UHFFFAOYSA-N	415.607	3.621	10	20	HHCD	
CN(Cc1nccn1Cc1ccccc1)C(=O)NCCCSc1nccs1	759590515	OKIGORNNENVWSH-UHFFFAOYSA-N	401.561	3.712	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](c2ccccn2)c2ccccc2OC)c1	760863759	UNUNXGPEBABQNK-NYHFZMIOSA-N	407.470	3.954	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCCc4sccc43)cc2F)CC1	768330627	NDERCFKOMILLHC-LJQANCHMSA-N	416.566	3.906	10	20	HHCD	
CCCCc1ccc(NC(=S)NNc2c(OC)cccc2S(C)(=O)=O)cc1	767427831	WZDGMLLZGSBGEP-UHFFFAOYSA-N	407.561	3.755	10	20	HHCD	
CCCSc1nsc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)n1	762951288	IXANKMONFDZODB-UHFFFAOYSA-N	407.565	3.839	10	20	HHCD	
O=[N+]([O-])c1cc(CNc2cc(CSCCO)ccn2)ccc1N1CCCCC1	763516227	LWGHYBYCEDGSKP-UHFFFAOYSA-N	402.520	3.818	10	20	HHCD	
CN(C)C1CCN(c2ccc(NCc3cc(Br)ccc3O)nc2)CC1	769413052	NGBNIMFQSMOKLE-UHFFFAOYSA-N	405.340	3.692	10	20	HHCD	
CC[C@@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1cc(Cl)ccc1O	775503226	DSAYNBKPDVKOOX-GHTZIAJQSA-N	415.965	3.984	10	20	HHCD	
COc1cc(OC)cc(OCCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	773059284	MWFNPWXISMHAQR-MRXNPFEDSA-N	420.937	3.923	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1	779513594	VRINIZJQNTXJRF-PKNBQFBNSA-N	400.390	3.550	10	20	HHCD	
C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1	773992891	GJUYCQMGAXMPIN-CQSZACIVSA-N	418.335	3.512	10	20	HHCD	
COC(=O)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1	779179871	YYWPIUGZHSRGSM-QHCPKHFHSA-N	408.473	3.819	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(OCC(F)(F)F)nc1	778078959	QJCJOBDFIZVIPX-UHFFFAOYSA-N	415.418	3.947	10	20	HHCD	
O=C(CNc1cc(Cl)ccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1	772901093	BDELWNUNWVSWCY-UHFFFAOYSA-N	412.292	3.697	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccc(S(=O)(=O)N(C)C)o1)Cc1ccccc1O	776009110	IIVWGCPPQHOKLH-QGZVFWFLSA-N	414.527	3.999	10	20	HHCD	
C[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	775407814	WUDOJBBYTJWYOU-JMMZKRSASA-N	403.482	3.994	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1	778986229	HBWVWAHTRAWAJC-UHFFFAOYSA-N	409.486	3.707	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H]3CCc4ccc(Cl)nc43)CC2)cc1	788507171	ORLNWOWKJZFSKE-FQEVSTJZSA-N	400.954	3.533	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)C3CCC(O)CC3)cc2F)C[C@H](C)O1	788287861	JUCRJVFSIWZPPK-XYCLOBBJSA-N	406.542	3.633	10	20	HHCD	
C[C@@H]1C(=O)CC[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1(C)C	780935825	LQQGWGNCNAQVGJ-JLSDUUJJSA-N	406.954	3.768	10	20	HHCD	
CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc(C)c(O)c3O)sc2C)s1	780935269	RRPKZJUSZNPUSI-UHFFFAOYSA-N	417.512	3.788	10	20	HHCD	
O=C(NCCCCCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)cc1	788932416	MSGAFLXDWLCKHO-UHFFFAOYSA-N	411.521	3.571	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c(O)c1	792872185	MWAPKEFPGXZTEY-UHFFFAOYSA-N	416.481	3.798	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F	792702920	IYWMYRLNMVCOMY-UHFFFAOYSA-N	422.862	3.805	10	20	HHCD	
COc1cccc(C2(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CC2)c1	795361678	YTRPRQFIWKVYLW-CALCHBBNSA-N	412.505	3.796	10	20	HHCD	
Cc1cc(C)c(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1C=O	793420236	MZWJWDILHUQZDG-UHFFFAOYSA-N	415.493	3.860	10	20	HHCD	
CCc1cc(CN2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)c(O)c(C(C)(C)C)c1	792717276	TYXIJLVWWVVADF-PIIWDFAUSA-N	403.592	3.774	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ncccc1Oc1ccccc1	799560173	WSFUEZMCGRMGKU-UHFFFAOYSA-N	419.481	3.755	10	20	HHCD	
COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1c(Cl)ccc2nonc12	1344042004	AALLZVIIPZUCEB-UHFFFAOYSA-N	403.822	3.885	10	20	HHCD	
COC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1793674755	CGGIQUKAODSAHC-UCMODRJZSA-N	423.557	3.628	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1cccc(C(F)(F)F)c1	3524681	MVEIKMXCXSXLMH-UHFFFAOYSA-N	403.360	3.943	10	20	HHCD	
Cc1cc(CSc2ncccc2C(=O)NCc2ccc3c(c2)CCCN3C)no1	60214956	LHXDOANAQLYCSR-UHFFFAOYSA-N	408.527	3.983	10	20	HHCD	
CC1CCN(C(=O)c2ccc(NCc3ccc(N4CCOCC4)c(F)c3)nc2)CC1	301251387	RXWZYJLITYWRAD-UHFFFAOYSA-N	412.509	3.542	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)ccc21	303204666	PGAIGRLXHWTJHJ-UHFFFAOYSA-N	407.495	3.851	10	20	HHCD	
COc1ccc(OCCN(C)Cc2c(O)ccc(C(=O)c3ccccc3)c2O)cc1	728196387	XDGKOLUOAHGDLV-UHFFFAOYSA-N	407.466	3.848	10	20	HHCD	
COc1ccc(O)c([C@H](C)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1	728908929	PSJMOFAIEHQZOF-VIFPVBQESA-N	420.365	3.776	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1	728953276	WQHRSYKGSPAGQM-HZPDHXFCSA-N	403.548	3.735	10	20	HHCD	
COC(=O)CCSCc1cccc(NC(=O)NCc2cccc(OC)c2O)c1	729572327	YEPILCLFRTXJHL-UHFFFAOYSA-N	404.488	3.519	10	20	HHCD	
Cc1cc(C(=O)CN2CCn3cnnc3C2)c(C)n1-c1cc(Cl)cc(Cl)c1	730006795	XVSXIFJONHZIQH-UHFFFAOYSA-N	404.301	3.691	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1	730385398	DCQVDYRFESIVHM-LLVKDONJSA-N	402.451	3.865	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(CN3CCN(C)CC3)CC2)c1	731883993	ULKVMFQACRMKNF-UHFFFAOYSA-N	408.590	3.502	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C(N)=O)c(F)c2)cc1	732431074	GJRNUZGYXGYSMH-UHFFFAOYSA-N	410.449	3.818	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Oc1ccccc1	733804052	WCWWUWCDSYHHKX-KZNAEPCWSA-N	415.509	3.706	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	734702666	BNFKQDRLLQQNPY-UHFFFAOYSA-N	413.827	3.988	10	20	HHCD	
COc1ccc(Br)cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	741543351	BKGWQESLTIKUOD-CQSZACIVSA-N	419.319	3.785	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)N2CCCC2)cc1	742710573	CUAMHYKOIRNTDJ-HSZRJFAPSA-N	423.557	3.916	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742800230	HDEJRAXETAVHGX-INIZCTEOSA-N	419.428	3.865	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(SC(F)F)c1	743956328	QSSKZPKMPJXFOS-UHFFFAOYSA-N	406.454	3.841	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(Cl)cc2cccnc12	743957801	ASUOAQXDXUCDHU-UHFFFAOYSA-N	409.873	3.728	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1cccc(Cl)c1Cl	746222983	PTKLVZKMYNLSFD-UHFFFAOYSA-N	412.292	3.969	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1	746295570	FWAIHJAVKYVMHM-OAQYLSRUSA-N	408.464	3.577	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(COc3ccccc3)c2C)c1O	746797167	FKJPYNTWCXERSX-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
CCOc1ccc([C@H]2NC3(CCCC3)C(=O)N2c2ccc(OC)c(OC)c2)c(O)c1	747441735	YTUVZLORTLPCJY-NRFANRHFSA-N	412.486	3.756	10	20	HHCD	
CCCCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1(C)C	748958475	FOIHBBWPZUYUQS-NHCUHLMSSA-N	421.557	3.570	10	20	HHCD	
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1	750578730	AKDOCRDUOSHTHV-SFHVURJKSA-N	401.492	3.648	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC1CCC(N2CCCCC2)CC1	751084274	PNMUWYSQLFKRAE-UHFFFAOYSA-N	416.635	3.836	10	20	HHCD	
CCCOCc1ccccc1CNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753844835	ZOMKTEMEOPZIHR-UHFFFAOYSA-N	415.509	3.793	10	20	HHCD	
C[C@H](NC(=O)NC(C)(C)CN(C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1	754581744	MOEKRTAEYQUVMY-FQEVSTJZSA-N	424.589	3.794	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1	756432322	QAFXMROERMUHNH-IRXDYDNUSA-N	418.559	3.672	10	20	HHCD	
CC(=O)N1CC[C@H](COC(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1	758551307	KEZBPECKDCPOPP-INIZCTEOSA-N	419.319	3.882	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCCCC3CCCC3)CC2)cc(OC)c1OC	759215458	FDPMVRJLPCBTRU-UHFFFAOYSA-N	405.539	3.514	10	20	HHCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	759589465	SHFPLFXBYBZYTG-LSSCYMHBSA-N	409.482	3.799	10	20	HHCD	
COc1cc(Cl)cc(CN(C)[C@H](CO)c2cccc(Br)c2)c1O	761206248	UQJXDCLAUYJAEC-OAHLLOKOSA-N	400.700	3.982	10	20	HHCD	
O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1N=Nc1ccc(O)cc1	761361699	HWBQZFWTHORUHW-UHFFFAOYSA-N	408.370	3.735	10	20	HHCD	
COc1cc(C)ccc1Oc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cn1	761621457	AUKSQNSCKJMQKG-UHFFFAOYSA-N	409.442	3.966	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cc1OC(F)F	762634802	ADJAXYUHMPJCFR-UHFFFAOYSA-N	423.847	3.797	10	20	HHCD	
Cc1ccc(F)c(N2CCC[C@@H](N(C)Cc3ccc(N4CCOCC4)cc3)C2=O)c1	764140506	JGXUDOFTLBAFMP-JOCHJYFZSA-N	411.521	3.598	10	20	HHCD	
COCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	764762948	PRTYMMSXUIFLRV-INIZCTEOSA-N	417.937	3.612	10	20	HHCD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)NCc1ccc(N3CCSCC3)cc1)CCC2	765228269	FJAIZUAJVAKHJT-FQEVSTJZSA-N	413.591	3.894	10	20	HHCD	
C[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCOCC2)cc1Cl	766605192	SBWXAVVPLVRFKB-AEFFLSMTSA-N	405.970	3.618	10	20	HHCD	
Cc1ccc(-n2ncc(C(=O)NCCc3ccc(O)c(O)c3)c2C(F)(F)F)cc1	768899683	LYYMAJNMSKNEPV-UHFFFAOYSA-N	405.376	3.583	10	20	HHCD	
O=C(N[C@H]1CCOC2(CCOCC2)C1)N(Cc1ccccc1O)C1CCCCC1	769206652	OQFSRYQDHKPKPU-IBGZPJMESA-N	402.535	3.965	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)c3c(F)cccc3F)c2C)cc1	771068395	AVNARFXHUBORNL-HXUWFJFHSA-N	400.425	3.844	10	20	HHCD	
O=C(N[C@H]1CC12CCCCC2)c1cc(NS(=O)(=O)c2cccs2)ccc1O	771283362	WMOMNFWTIIMTOY-INIZCTEOSA-N	406.529	3.707	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c1O	774841760	XHCJVWJVKKJJKN-HZPDHXFCSA-N	413.257	3.706	10	20	HHCD	
COc1cccc(CNCc2ccc(Cl)cc2I)c1O	775029116	WUXWUOHVLVLBAV-UHFFFAOYSA-N	403.647	3.949	10	20	HHCD	
COc1ccc(O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1	775679042	LPNWXRSAJIVWEZ-UHFFFAOYSA-N	411.380	3.650	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775701470	XXYBHPXVUJAYHP-TZIWHRDSSA-N	416.610	3.564	10	20	HHCD	
CC[C@@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccc(OC)cc1	775726261	RXNFQNLXYMZUSA-OAQYLSRUSA-N	413.537	3.786	10	20	HHCD	
CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1Br	776747397	CVDQYWSNZDDRDH-UHFFFAOYSA-N	413.293	3.531	10	20	HHCD	
COC(=O)Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	777488845	JSKAWFDNOAWUMT-UHFFFAOYSA-N	406.482	3.904	10	20	HHCD	
CCN(CCC(=O)N1CCc2ccccc2C1)Cc1cc(Br)ccc1O	781897889	DSKWQXZNFOSXAC-UHFFFAOYSA-N	417.347	3.952	10	20	HHCD	
Cc1cc(N2CCC(N[C@H](C)c3ccc(N4CCOCC4)cc3Cl)CC2)n[nH]1	784056761	QBNBJGBKVYADPG-MRXNPFEDSA-N	403.958	3.528	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccc(F)cc2F)C2CCCC2)cc1	785422348	KARBIKRMNHNXCB-UHFFFAOYSA-N	415.484	3.618	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCCC(=O)NC(C)C)c(C)n1-c1cccc(F)c1	785846938	GDNZNKSCPJKBQB-UHFFFAOYSA-N	402.466	3.654	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1	787864876	RIMHRWOVLKQIOJ-HNNXBMFYSA-N	419.472	3.580	10	20	HHCD	
CC1CCN(C(=O)c2ccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)CC1	789834594	BHXHGRZOPMQXHN-MRXNPFEDSA-N	411.502	3.723	10	20	HHCD	
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789861151	QAMCXAZOIOHHES-CTNGQTDRSA-N	417.619	3.577	10	20	HHCD	
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2O)[C@H](c2cccc(F)c2)C1	800646289	TUBYIVDMXSEQHN-KRWDZBQOSA-N	416.449	3.671	10	20	HHCD	
CCn1c(CCCc2ccccc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	801989563	CVGBLYIWASZYEX-UHFFFAOYSA-N	419.573	3.946	10	20	HHCD	
COC(=O)c1cnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C(F)(F)F	804378065	AFCSINRCUICNED-ZDUSSCGKSA-N	409.408	3.897	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	805312629	SPXCRUWGGBOYLN-RYUDHWBXSA-N	418.321	3.755	10	20	HHCD	
CC[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)S1(=O)=O	805772231	HGBBMKDMURMBEB-UZLBHIALSA-N	414.531	3.938	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(F)cc1F	806276125	IGIKUJHRIUEZRD-HNNXBMFYSA-N	413.515	3.677	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N1CCC[C@@H]1c1ccccc1Cl	806281111	NKFQWRKGWKUOEA-OAHLLOKOSA-N	409.964	3.759	10	20	HHCD	
O=C(Nc1nc(-c2ccco2)cs1)C(=O)N(Cc1ccco1)Cc1ccccc1O	806842991	CBBAYMWKWQJPIT-UHFFFAOYSA-N	423.450	3.869	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1C(F)(F)F	807512662	CKOGKDHETKANTO-UHFFFAOYSA-N	407.175	3.973	10	20	HHCD	
CN(Cc1cc(Br)cc(Br)c1O)C1CCC(CO)CC1	809765857	RAKTWTLVCHVREG-UHFFFAOYSA-N	407.146	3.900	10	20	HHCD	
COCC1(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CCOCC1	813772796	AHMRJMCHTDXQCK-UHFFFAOYSA-N	415.534	3.501	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)N[C@@H](C)COC)cc2)cc1F	863991674	KZXFPPBGKOHYFZ-INIZCTEOSA-N	423.554	3.597	10	20	HHCD	
COCc1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	916057301	NPNNSHMXRYSQNI-UHFFFAOYSA-N	416.389	3.769	10	20	HHCD	
O=C(C=c1nc(O)c(=Cc2ccc(N3CCCCC3)cc2)s1)c1ccc(Cl)cc1	916132169	SXIUXRPQMCARPC-UHFFFAOYSA-N	424.953	3.985	10	20	HHCD	
CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919971210	LFVKTBVEIULDEF-QGZVFWFLSA-N	414.521	3.996	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccc(F)cc3F)cc2F)CC1	1323164746	PLZDWCQREZVPPE-HNNXBMFYSA-N	405.464	3.666	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cc(OCC(F)F)ccn3)cc2)CC1	1337380110	COJZOZNDOXAKMO-UHFFFAOYSA-N	418.488	3.961	10	20	HHCD	
CN(CC(=O)Nc1ccccc1SC(F)F)Cc1ccc(N2CCOCC2)cc1	16387111	LAVXVFOONPBRQE-UHFFFAOYSA-N	421.513	3.908	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C3(c4ccc5c(c4)OCCO5)CCCC3)ccc21	116153687	PYZFKNHZEGQZJN-UHFFFAOYSA-N	406.526	3.968	10	20	HHCD	
C[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc(N2CCOCC2)cc1	145613954	YEEADPLQEYDIMV-SFHVURJKSA-N	416.525	3.689	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(C(=O)Nc3nncs3)cn2)cc1F	301419326	DIFIOHYWFVOEAY-UHFFFAOYSA-N	400.483	3.783	10	20	HHCD	
Cc1c(CNC(=O)NCCc2ccc(OCC(F)(F)F)nc2)n(C)c2ccccc12	472194828	VNQDKRPOBSEGFD-UHFFFAOYSA-N	420.435	3.865	10	20	HHCD	
CCOc1ccc(C(=O)CCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1F	474559155	PSRWRPNUEIYQON-UHFFFAOYSA-N	400.450	3.679	10	20	HHCD	
Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1	478799790	WOQFHCHGZAXVEY-UHFFFAOYSA-N	408.527	3.936	10	20	HHCD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	727155373	XJIRFUNKBSRJSM-UXHICEINSA-N	419.566	3.564	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCN(CCc2ccccc2)C1	728603946	UBMLKGFVDAMWFH-HSZRJFAPSA-N	406.574	3.651	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1	734016303	PTAUOABOMZYGNG-QGZVFWFLSA-N	423.296	3.629	10	20	HHCD	
CC(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1	742475399	LHKGGBKWAYEYAN-UHFFFAOYSA-N	400.544	3.789	10	20	HHCD	
O=C(COc1ccc(F)cc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801411	YZLGNLWQTZEFAE-CQSZACIVSA-N	412.383	3.730	10	20	HHCD	
CCN1CCN(C[C@@H](C)CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1	745863246	USWVOMJHTXGUSM-FQEVSTJZSA-N	416.610	3.510	10	20	HHCD	
Cc1cc(N2CCC(NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CC2)nc(C)n1	749615996	BGHOMVRWRZTAEX-UHFFFAOYSA-N	424.593	3.748	10	20	HHCD	
Cc1ccc(-n2cnc3c2CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C3)cc1	753445869	CZDDOMRGLKYLAC-UHFFFAOYSA-N	407.493	3.654	10	20	HHCD	
CC(C)[C@@H]1C[C@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CS1	754126273	ZINULWOWNAKLPI-RXVVDRJESA-N	415.582	3.562	10	20	HHCD	
O=C(Cc1ccc(F)cc1F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	755198379	MRTQBRVNRMIUFU-UHFFFAOYSA-N	414.374	3.679	10	20	HHCD	
CN(C)Cc1ccsc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	756097098	AGJCYLHNDCOVCF-OAHLLOKOSA-N	409.502	3.810	10	20	HHCD	
COc1ccc([C@H](CN[C@@H](C)c2ccc(C)c(C)c2O)N2CCOCC2)cc1OC	756365117	YNHHTCYFMHYQDJ-RXVVDRJESA-N	414.546	3.750	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1cc2c(cc1O)CCCC2	756542723	DDUIYONMRVJBQI-KRWDZBQOSA-N	416.587	3.950	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)[C@H](C)c3sc(C(C)C)nc3C)nc12	756644103	GQAAZMIEPDVIAM-CYBMUJFWSA-N	417.535	3.693	10	20	HHCD	
COCCN(Cc1cc(Br)cs1)C(=O)/C=C\c1ccc(O)c(O)c1	757642828	FSEMNKLNXCJKEC-HYXAFXHYSA-N	412.305	3.610	10	20	HHCD	
COc1ccc(-c2cncc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)cc1	758156751	ORIJGSDCGUPYNE-UHFFFAOYSA-N	417.509	3.866	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1ccc(Br)cc1	761003981	LZCGBNRIUZAMTR-UHFFFAOYSA-N	423.694	3.815	10	20	HHCD	
COc1cc(Cl)cc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1O	761195257	LMZPKEKRHLGLIF-UHFFFAOYSA-N	400.866	3.879	10	20	HHCD	
C[C@H](C(=O)Nc1nc2ccccc2s1)N(C)Cc1ccc(N2CCOCC2)cc1	764141043	TYCWLDNCRQDWIO-MRXNPFEDSA-N	410.543	3.592	10	20	HHCD	
CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C12CCC2	764354374	OPFBWSBAHFOUNQ-UXHICEINSA-N	403.592	3.729	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cnc3c(c2)NC(=O)CS3)cc1)C1CCCCC1	765480173	OARSIOKSEOVEAA-UHFFFAOYSA-N	410.543	3.825	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1	765908003	AUSWJVOFQKWOAY-CQSZACIVSA-N	411.365	3.640	10	20	HHCD	
C[C@@H](NC(=O)c1ccccc1COC1CCOCC1)c1ccc(N2CCOCC2)cc1	767898028	BULOJPSHGHGXBU-LJQANCHMSA-N	424.541	3.710	10	20	HHCD	
COc1cc(O)c(CN2CCO[C@@H](c3cccc(Br)c3)C2)cc1OC	768445893	VGNFVQMGTLNRCC-LJQANCHMSA-N	408.292	3.745	10	20	HHCD	
Oc1cc2c(cc1CN1CCC[C@H](c3nc(C(F)(F)F)cs3)C1)[C@H](O)CO2	768461388	CCLFZEKKJDWPHI-IINYFYTJSA-N	400.422	3.673	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	769751172	GZOPWKYPLLLESX-UHFFFAOYSA-N	417.531	3.589	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)c1	769972937	BBOHRLYBQZJMSB-BPOBUFBUSA-N	414.527	3.862	10	20	HHCD	
CCOC(=O)N(C)c1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	771925215	FVPNXGFYWGRNAN-UHFFFAOYSA-N	417.849	3.607	10	20	HHCD	
C[C@H](OC(=O)C1(F)CCCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	772793953	IWKXFILIGLTCBC-ZDUSSCGKSA-N	409.413	3.615	10	20	HHCD	
C[C@H](NCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc(N2CCOCC2)cc1	775259268	QFUPTYFTKYZLGG-VQTJNVASSA-N	421.585	3.930	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(OCCCC(=O)O)c(F)c2)c(C)c(C)c1O	775292180	UHDHQFGLRVSHQH-UHFFFAOYSA-N	411.451	3.501	10	20	HHCD	
CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O	775364158	OVDIELWOKULASQ-QWHCGFSZSA-N	406.504	3.625	10	20	HHCD	
COc1ccc(O)c(CNc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c1	775985094	XALWOJIEWLLLGL-UHFFFAOYSA-N	418.449	3.688	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCCCSc2nccs2)C1	779363353	DYMALUNRUDOOJZ-KBPBESRZSA-N	414.597	3.570	10	20	HHCD	
O=C(NCCCc1nc(-c2ccc(F)cc2)no1)NCc1c(O)ccc2c1CCCC2	784450838	APFQHSDXGZOFBQ-UHFFFAOYSA-N	424.476	3.892	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1	785296338	DJCZMVWKGJDIMP-HNNXBMFYSA-N	422.506	3.935	10	20	HHCD	
COc1ccc([C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C(C)C)cc1	785548842	YTLUPCDMSCQVBN-QHCPKHFHSA-N	423.557	3.766	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3cccc(Cl)c3Cl)cc2)C1	788743916	WRFCETMXUDQKHD-INIZCTEOSA-N	420.340	3.554	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1	788979257	VPBBGOONXCBGLB-UHFFFAOYSA-N	421.463	3.826	10	20	HHCD	
COCc1ccc(OC)c(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c1	795547549	MNNUIJBAAFXIMG-UHFFFAOYSA-N	418.496	3.658	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c(F)c1	795607977	RQNOGIAUGPZYRO-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
c1ccc(CN2CCc3cc(CNC4CCN(C[C@@H]5CCCO5)CC4)ccc32)cc1	796304557	KCVXBYDEVIYYDH-VWLOTQADSA-N	405.586	3.982	10	20	HHCD	
CC(C)(C)NS(=O)(=O)c1cccc(NCc2cccc(Br)c2O)c1	796404449	QUGMDTDLJOCPBH-UHFFFAOYSA-N	413.337	3.844	10	20	HHCD	
COc1c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cccc1[N+](=O)[O-]	796651098	PAUMTXSEGYVOHJ-UHFFFAOYSA-N	411.380	3.874	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC[C@H]1CCC(F)(F)C1	797430460	HVQUEKLVAFDTON-ZDUSSCGKSA-N	421.410	3.777	10	20	HHCD	
Cc1cc(Br)cc(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1O	797605224	KCOXOILETPNUCK-OAHLLOKOSA-N	403.320	3.948	10	20	HHCD	
Cc1cc(O)c(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1C	798190335	QKPXKBPSOYZARO-UHFFFAOYSA-N	412.559	3.871	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(CC(C)C)c1C(F)F	802609439	BVNAZSJEKXECHV-UHFFFAOYSA-N	422.476	3.950	10	20	HHCD	
Cc1cc(CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1-c1ccccc1	803660778	CTXCPDNCRSWKET-UHFFFAOYSA-N	419.500	3.800	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](CCO)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	806541267	IFINPMHVMOABSU-IIBYNOLFSA-N	417.937	3.661	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2cn(C)cn2)c(C)n1-c1ccc(OC(F)F)cc1	811227208	DUECJSCFSSBMBB-CQSZACIVSA-N	417.412	3.857	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](c3ccc(F)cc3)c3nc[nH]n3)cc2F)C[C@@H](C)O1	815561580	JTZYJXCQDZCHNS-VTJXTGGHSA-N	413.472	3.576	10	20	HHCD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)Cc1cc(Cl)c(F)cc1O	816481212	MQUBSYPYRNHLQR-UHFFFAOYSA-N	421.856	3.873	10	20	HHCD	
CCC[C@H](C)C(=O)NCCNCc1cc(Br)cc(Br)c1O	816625397	CMDNSCJWPVHYHO-JTQLQIEISA-N	422.161	3.559	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=N)Nc3cccc(C(C)C)c3)CC2)cc1	849055450	YSFXICCLTGAJQC-UHFFFAOYSA-N	409.578	3.967	10	20	HHCD	
CC(C)(C)NS(=O)(=O)CCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	915303518	GBJJLAJWBQMDFT-UHFFFAOYSA-N	403.508	3.941	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1	916504831	GDKLNLITTIWLMI-UHFFFAOYSA-N	411.527	3.658	10	20	HHCD	
O=C(CCc1ccc(OC(F)F)cc1)NCc1ccc(N2CCOCC2)c(F)c1	917709313	UARPGBIPSXDEHH-UHFFFAOYSA-N	408.420	3.513	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cc2F)C[C@H](C)O1	918140743	PHSMAFAJBWNITG-IRXDYDNUSA-N	424.520	3.955	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Br)ccc1C	918306881	HUNQFBJKPFBXKL-UHFFFAOYSA-N	418.335	3.811	10	20	HHCD	
CNS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	919975054	YEEHQENXZHOXEY-UHFFFAOYSA-N	417.918	3.908	10	20	HHCD	
CN1CCN(Cc2cccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)CC1	920183509	PXQCIGJZIQUCSL-UHFFFAOYSA-N	423.561	3.945	10	20	HHCD	
O=C(NCCc1c(F)cccc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1	1116272250	QELSTFZMGKNQCN-UHFFFAOYSA-N	423.891	3.621	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc([S@](C)=O)cc1	1318963978	KXGCFCXFUGAGMU-DEOSSOPVSA-N	411.321	3.946	10	20	HHCD	
CCN(Cc1ccc(N2CCCC2)cc1)Cc1nc(O)c2cc(OC)c(OC)cc2n1	1319681872	LGGMQSYSMPLGPC-UHFFFAOYSA-N	422.529	3.975	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(N3CCCC3)cc2)s1	1319836402	LRYBCRIIEUWQAC-UHFFFAOYSA-N	407.605	3.669	10	20	HHCD	
CN1CCN(c2ccc(CN(Cc3cccs3)C[C@@H]3CCCO3)cc2F)CC1	1324724423	FIECBYDNVSSTET-IBGZPJMESA-N	403.567	3.820	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Cc1csc(NC(=O)c2ccoc2C)n1	303109123	KIVJTTSGXLSGBL-UHFFFAOYSA-N	413.499	3.984	10	20	HHCD	
COc1ccc(O)c(CNc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1	809680645	POPREIYHUKGCGM-UHFFFAOYSA-N	404.532	3.886	10	20	HHCD	
COC(=O)[C@]1(C)CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	800719776	NORMADFDKCFXDY-QVKFZJNVSA-N	407.942	3.671	10	20	HHCD	
COCCOCc1ccc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	808390213	PJYAXXRRHNPLNX-QFIPXVFZSA-N	418.965	3.963	10	20	HHCD	
COc1ccc(NCc2cccc(Cl)c2O)cc1S(=O)(=O)N1CCCCC1	809679556	IGPQCMZNIYPEMN-UHFFFAOYSA-N	410.923	3.841	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CS(=O)(=O)C3CCCC3)cc2Cl)C1	800046670	BFLBSIAAUHDIQQ-HNNXBMFYSA-N	412.983	3.550	10	20	HHCD	
COCCOCc1ccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)cc1	809144873	SYSZZMKZTRXYHN-XMHGGMMESA-N	414.552	3.689	10	20	HHCD	
C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(N2CCCNC2=O)cc1	812802018	VUFUUXLWLDJXGF-LBPRGKRZSA-N	404.854	3.724	10	20	HHCD	
CCc1nc(C)c(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1	813661117	BDQBVSUOTVUFGJ-CQSZACIVSA-N	408.449	3.615	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1	728981523	CDUQFQPQOKTWCS-MSOLQXFVSA-N	410.514	3.747	10	20	HHCD	
COc1cccc(CNC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)c1O	727762246	HTJFOHCGZZINQP-UHFFFAOYSA-N	403.841	3.677	10	20	HHCD	
COc1ccc(-n2ccnc2SCC(=O)NCc2ccc(N(C)C)cc2C)cc1	734468225	RAXBYQXOBFSBOB-UHFFFAOYSA-N	410.543	3.664	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2OC(C)C)cc1F	731409550	WKCYJHRVJRGSAA-UHFFFAOYSA-N	419.472	3.853	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3nc4ccccc4o3)cc2F)C[C@H](C)O1	917709846	GOPCEDGXORRISO-HOTGVXAUSA-N	411.477	3.830	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1[N+](=O)[O-]	917710030	LXDHIPSERDKLOC-GJZGRUSLSA-N	401.438	3.586	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1C(N)=O	914791008	GSKDYNNXRAYLNQ-UHFFFAOYSA-N	413.480	3.764	10	20	HHCD	
CCN(CC)CCO[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	746758824	ATDTURIFUUFXPJ-QHCPKHFHSA-N	416.610	3.565	10	20	HHCD	
CC(C)N(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(N(C)C)cc1	917075547	ZMOFAPLVJNSBDZ-UHFFFAOYSA-N	408.546	3.729	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)s1	917902176	BDXKHYNLQVAYSH-UHFFFAOYSA-N	415.543	3.532	10	20	HHCD	
Cc1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1	915291011	LNGUPCBVUMSRLJ-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	746758678	NZJGXNQXUOMHTA-NQIIRXRSSA-N	411.521	3.825	10	20	HHCD	
CCN(CC(=O)N(C)Cc1ccccc1F)Cc1cc(Br)ccc1O	743871027	MXWNKOQTZADFFN-UHFFFAOYSA-N	409.299	3.774	10	20	HHCD	
C[C@@H](COc1ccc(F)cc1F)NC(=O)NCc1ccc(N2CCSCC2)cc1	919921519	DMBPOSWUOIRYOY-HNNXBMFYSA-N	421.513	3.785	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CC(c2ccccc2)=NO1	742801799	SMLAYLQMYHCTHI-OXQOHEQNSA-N	415.440	3.566	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)CCCOC(C)C)c([N+](=O)[O-])c1Br	740870850	KEZGBKDZTBDLAC-UHFFFAOYSA-N	406.233	3.525	10	20	HHCD	
COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)c1	753976872	DAOJQQNZONZSIV-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2nc(N3CCOCC3)oc2c1	757897238	GZQZHZFJPNBTJL-UHFFFAOYSA-N	421.501	3.586	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1ccc(=O)n(Cc2ccccc2)c1	758579298	VCRWWFGPOLYEMV-UHFFFAOYSA-N	400.529	3.657	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(N2CCOCC2)cc1	920920564	NKSSPJNMFVSUNR-RDPSFJRHSA-N	422.573	3.721	10	20	HHCD	
C[C@H](NC(=O)N1CCO[C@](C)(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	759731947	QIAZLFFXUIXCMR-CYFREDJKSA-N	409.530	3.541	10	20	HHCD	
C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	750447281	WHYIWIOUXNRWKV-SFHVURJKSA-N	418.582	3.979	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2CCC(F)(F)F)c1	757259598	HWZPUBCXDZROCR-GFCCVEGCSA-N	410.392	3.712	10	20	HHCD	
C[C@@H](NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cc(F)ccc1O	756774818	LGPWCDFDCNACKU-LLVKDONJSA-N	407.385	3.554	10	20	HHCD	
COC(=O)c1cccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1Br	755506505	CRBLVJXRUWAFPW-JTQLQIEISA-N	423.263	3.833	10	20	HHCD	
C[C@H](CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCCC1	753155536	UWZMINHFURXFCJ-QGZVFWFLSA-N	424.536	3.821	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1	756816979	USUAUGGOODZHPU-KRWDZBQOSA-N	409.530	3.884	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1	759161257	TZPUJSHWPXTTQF-UHFFFAOYSA-N	421.456	3.536	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1SCCc2ccccc21	761581642	BGBWOFMFQVOYKS-GOSISDBHSA-N	402.903	3.840	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(F)c1F	766553418	SCGFSCDVMIANDH-CYBMUJFWSA-N	407.436	3.625	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1	760040060	SBBFVIAXTSAUPK-PNDGYVOYSA-N	401.478	3.742	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(OC[C@@H]2CCOC2)c(F)c1	767677094	XFBQQTDZALJSMA-GFCCVEGCSA-N	424.475	3.758	10	20	HHCD	
COc1cc(N[C@@H]2CCCN(Cc3cc(F)cc(C(C)=O)c3O)C2)cc(OC)c1	768552296	MGUXGVDPKWLZNZ-QGZVFWFLSA-N	402.466	3.828	10	20	HHCD	
Cc1ccnn1-c1ccccc1NC(=O)NCc1cccc(Br)c1O	765344676	NVAMVGADUJAXPN-UHFFFAOYSA-N	401.264	3.971	10	20	HHCD	
Fc1cccc(CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]2CCCO2)c1	769192394	QOXVTSSAFKGMPQ-NRFANRHFSA-N	402.485	3.983	10	20	HHCD	
COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1Cl	766522294	ZAJXYAJTXZEJOM-GFCCVEGCSA-N	411.836	3.744	10	20	HHCD	
COc1cc(F)cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	1116266472	UJAXCJWDWRQWHO-ZIAGYGMSSA-N	405.445	3.909	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cccc(OCC(F)(F)F)c1	770136156	XVGKXIQLEGJBEU-UHFFFAOYSA-N	424.419	3.509	10	20	HHCD	
C[C@@H](NC(=O)Cc1ccc(F)cc1Br)c1ccc(N2CCOCC2)cc1	776797447	FWRKTPARIZDLAI-CQSZACIVSA-N	421.310	3.845	10	20	HHCD	
CCC[C@@](C)(NCc1cc(Br)cc(Br)c1O)C(=O)OC	779431945	UZUDESRSHBOTOR-CQSZACIVSA-N	409.118	3.739	10	20	HHCD	
COc1cc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1C	773240382	DWXPRUJOPHTAQA-UHFFFAOYSA-N	409.530	3.803	10	20	HHCD	
COc1cc(Br)cc(CNCc2cccc(Br)c2O)c1O	775146183	LXTARDGXIQBPMR-UHFFFAOYSA-N	417.097	3.921	10	20	HHCD	
O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779519398	CSQRKCFLAVOYSW-KXFIGUGUSA-N	418.852	3.781	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(N(C)C)cc1	773299310	RGKXMPINTURAIX-RDJZCZTQSA-N	418.488	3.993	10	20	HHCD	
C[C@H](NC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1	776245711	NDVOBNBOBHOKOC-JKSUJKDBSA-N	423.479	3.983	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)cc3C(F)(F)F)c2)CC1	781271519	ZGJSENMJICLQMX-UHFFFAOYSA-N	409.383	3.765	10	20	HHCD	
CS(=O)(=O)c1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)ccc1Cl	788301563	OCIYFBRZEYYVQT-UHFFFAOYSA-N	408.907	3.650	10	20	HHCD	
CC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1	783483145	OANJGAJHXJMGET-INIZCTEOSA-N	416.481	3.960	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1	784107244	RDLDPALTPDDFQR-NRFANRHFSA-N	418.541	3.808	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c1	790787761	LXNOYAQKBCRVCW-KUHUBIRLSA-N	423.296	3.543	10	20	HHCD	
CO[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	796500258	KCEVESUJZXCIGO-LMKMVOKYSA-N	420.509	3.680	10	20	HHCD	
Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1N1CCSCC1	797620351	FVZQMBOLCBURAD-HNNXBMFYSA-N	401.532	3.712	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc4[nH]ccc4c3)cc2F)C[C@H](C)O1	799365106	UFTZLECXDAFWAE-IRXDYDNUSA-N	424.520	3.963	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c(O)c1	792827060	MIBHZAPJUKMBSU-LJQANCHMSA-N	403.910	3.691	10	20	HHCD	
COc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c(O)c1	794381086	KMMOAIUUCDPNKB-JOCHJYFZSA-N	418.493	3.887	10	20	HHCD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1	796170545	AOSSNPQPEFVVFX-UHFFFAOYSA-N	401.415	3.793	10	20	HHCD	
Cc1ccc(CS(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(F)c1	795075453	ZIIBNNGIXDWLNL-HOTGVXAUSA-N	424.513	3.506	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnn(CC(C)C)c1	791249818	JAFWDXDMBJZYTN-UHFFFAOYSA-N	400.523	3.541	10	20	HHCD	
COc1ccc(-c2ccncc2)cc1CNc1cc(CS(C)(=O)=O)ccc1OC	796467872	AILWRGFAMIORKH-UHFFFAOYSA-N	412.511	3.923	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3F)n2)cc1	1318212537	CXLIZSNUUGLQIJ-UHFFFAOYSA-N	419.503	3.695	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC3CCC4(CCOCC4)CC3)CC2)cc1	1319491251	FZWVBNMMNJDGIX-UHFFFAOYSA-N	401.551	3.656	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(-n2cccc2)ccc1F	1322839971	SRLFWXIVFLMEHD-UHFFFAOYSA-N	412.440	3.914	10	20	HHCD	
Cc1cc(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)[nH]1	1340394637	QIFRLJKYMLZDKT-SFHVURJKSA-N	400.523	3.693	10	20	HHCD	
Cc1cc(C(=O)CSc2nnc(CN3CCCC3=O)o2)c(C)n1-c1ccccc1	58302982	XXWKTDLXBBZILB-UHFFFAOYSA-N	410.499	3.575	10	20	HHCD	
CSc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C	108058788	SITGNLOFQQCSCE-UHFFFAOYSA-N	408.527	3.922	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@H](CCC(N)=O)C3)c2C)c1	110628458	PYRCBJYEUIJCQT-GOSISDBHSA-N	413.587	3.976	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(CN4CCCCC4=O)CC3)c2C)cc1	303699901	NWVTUXLYOXQLBO-UHFFFAOYSA-N	423.557	3.967	10	20	HHCD	
C[C@@H]1[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCN1C(=O)OC(C)(C)C	807840758	JABMJCSPXMHASE-ZWNOBZJWSA-N	403.306	3.961	10	20	HHCD	
Cc1ccccc1[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C	805877830	UNPDLNHAMFTFLH-NZQKXSOJSA-N	424.541	3.722	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCC2(CCO2)CC1	800654258	LSPIQVZDKMNYDD-FYWRMAATSA-N	422.597	3.511	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1O	808682019	LMVVKOWNFLNVRQ-OAHLLOKOSA-N	408.951	3.989	10	20	HHCD	
Cc1ccccc1-n1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1	808385241	KUVPVOYTHKBUSP-UHFFFAOYSA-N	413.472	3.936	10	20	HHCD	
CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	803662294	ARDWOIZYZDFYAC-HNNXBMFYSA-N	417.550	3.886	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1conc1Cc1ccccc1	816506432	CGFYKLVWUVUNCT-UHFFFAOYSA-N	400.862	3.800	10	20	HHCD	
Cc1cnccc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	814804883	IZEWHKXWJURMHK-HOTGVXAUSA-N	403.523	3.551	10	20	HHCD	
COCc1nc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cs1	812553155	OHRJGSKIJAVGCV-UHFFFAOYSA-N	414.531	3.861	10	20	HHCD	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C)c(O)c2O)c(Br)c1	727005061	DYMDBIJFILJAQW-NSHDSACASA-N	408.248	3.661	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(C(=O)NCC(C)C)cc3)CC2)cc1	726694683	ANSYQGOZJHVZPP-UHFFFAOYSA-N	424.545	3.872	10	20	HHCD	
Cc1nc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cs1	726609621	DAKMMNRXNXNXBB-UHFFFAOYSA-N	410.490	3.564	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)CC2)cc1	726562806	WHHLVVAPHXHWSK-CQSZACIVSA-N	411.527	3.527	10	20	HHCD	
COc1ccc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726608986	IHBLCLDPBSFYEF-UHFFFAOYSA-N	419.472	3.807	10	20	HHCD	
COCCN(CCN(C)C)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	729431106	GSNKAIKMXJGACM-UHFFFAOYSA-N	422.367	3.507	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)ccc21	491137764	MUEBZBBKFCHHFL-GCJKJVERSA-N	402.560	3.689	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3csc(C(C)(C)C)n3)cc2F)CC1	730192634	IZJKNOBNDYXYQH-UHFFFAOYSA-N	418.582	3.581	10	20	HHCD	
CCOc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC	734069836	SLRGJDCJIHDTMY-LJQANCHMSA-N	414.502	3.690	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)NC(=O)c2ccoc2)cc1	732114513	GASOFUBKTUKUJD-QGZVFWFLSA-N	421.497	3.706	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1	917906840	KXXMLTXXSMZVDH-UHFFFAOYSA-N	418.496	3.781	10	20	HHCD	
CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1C	743046451	ITLNUEFAMNZFHC-UHFFFAOYSA-N	421.504	3.661	10	20	HHCD	
CCC(CC)[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)N1CCCC1	918202112	JTNZOXQXOBBGJX-JOCHJYFZSA-N	418.651	3.940	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)c3ccoc3)c2C)c1	919481607	ZMZVKYJIIPPASP-KRWDZBQOSA-N	422.481	3.848	10	20	HHCD	
CC(C)n1ncc2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc21	746770793	SQZMJLGHSPHKCP-UHFFFAOYSA-N	411.481	3.915	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)ccc21	746879848	HHHYTJBEMGKYQO-UHFFFAOYSA-N	408.498	3.510	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)c2cnsn2)c(C)n1-c1ccc(OC(F)F)cc1	919483783	WEOIOIXHAPJSJN-LBPRGKRZSA-N	421.425	3.975	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc(N4CCOC4=O)c3C)CC2)cc1	743247248	FCVQAJMKPYLXPZ-UHFFFAOYSA-N	424.501	3.751	10	20	HHCD	
CN(C)C1(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Cc2ccccc2C1	742373947	WOIQTHKSRKXICF-UHFFFAOYSA-N	408.546	3.774	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H](c2ccccc2)c2nccn2C)C2CC2)cc1	918063116	RIYUXMMMHXBUFT-JOCHJYFZSA-N	403.530	3.950	10	20	HHCD	
Cc1ncc(CN(C)CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)s1	917152119	WGHPQZCTDUWWPK-UHFFFAOYSA-N	411.527	3.945	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cccc(OC)c2O)c(OC2CCCC2)c1	747961479	SJILJWVZZKQOAA-UHFFFAOYSA-N	400.475	3.730	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1	742619520	SVMBJMIRZNDRPW-IBGZPJMESA-N	417.550	3.570	10	20	HHCD	
CC(=O)NCCc1ccc(C(=O)COC(=O)c2sccc2-n2c(C)ccc2C)cc1	919566986	YMGDRBIAAOZNKK-UHFFFAOYSA-N	424.522	3.874	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1	918234362	ILZPZEMPYZBTMC-UHFFFAOYSA-N	416.516	3.837	10	20	HHCD	
COc1ccc(N(C)CC(=O)NC2CCN(Cc3ccccc3C)CC2)cc1Cl	757856018	IRNUMRGHCAKVHW-UHFFFAOYSA-N	415.965	3.874	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@H]1CSCCN1Cc1ccccc1	759000940	DUZFBZLKQWBLOT-QGZVFWFLSA-N	422.645	3.542	10	20	HHCD	
C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)ccc1O	756356128	YZHNTCJNPLSLML-MAUKXSAKSA-N	405.336	3.706	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)CC2)cc1	758739499	IVQAFSNDRYGHEI-TZIWHRDSSA-N	413.518	3.555	10	20	HHCD	
C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)c(Cl)c1	920637451	GKVSKZMTDXXZOT-SECBINFHSA-N	404.271	3.989	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)c1	756422908	OAFOXBJCPVUVAV-HNNXBMFYSA-N	408.454	3.553	10	20	HHCD	
CCOC(=O)c1sc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nc1C	750670201	GOQJGDKKENWVHQ-UHFFFAOYSA-N	416.547	3.568	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1	765298518	VOYVEMYHOUXHTE-VWNXMTODSA-N	406.574	3.949	10	20	HHCD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1C1CC1	763120294	VVXWYWJQQOEWJF-MRXNPFEDSA-N	409.534	3.587	10	20	HHCD	
O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1cccc(Br)c1O	764935603	ZOPFQSGMBZOMBZ-UHFFFAOYSA-N	406.236	3.567	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCSCC(F)(F)F)cc2F)C[C@@H](C)O1	769711973	JYJMJPPSFJWEFB-CHWSQXEVSA-N	423.476	3.534	10	20	HHCD	
CC(C)(C)OC(=O)C1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1	769714754	XHXJBSKQZOSTQE-UHFFFAOYSA-N	401.551	3.987	10	20	HHCD	
C[C@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C	769124435	KUODUBFFETXRKD-AJHXJQRKSA-N	414.481	3.745	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1C1CCCC1	765685041	MHBMSDKFCXFDEB-OAHLLOKOSA-N	404.461	3.998	10	20	HHCD	
Cc1cn2ccnc(C(=O)OCC(=O)c3cc(C)n(-c4ccccc4C)c3C)c2n1	763592787	LCRVRXLHNKDKLD-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1	768911041	MNSNATMMGDVHIN-OAHLLOKOSA-N	414.527	3.606	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)cc(C(F)(F)F)c1	762262129	PTJFLYHFJXSMEZ-UHFFFAOYSA-N	404.182	3.852	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1NCc1ccc2c(c1)CCO2	762742761	AGHBMYCEHWHDOX-XUVXKRRUSA-N	402.535	3.516	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NC[C@@H](O)COc2ccc(F)c(F)c2)c1O	779022276	QJNZPJRFRGUQBV-DGCLKSJQSA-N	416.262	3.832	10	20	HHCD	
Cn1nc(Br)cc1/C=C1\SC(=S)N(c2ccc(F)cc2F)C1=O	778244938	DXNHGUJOTCUVBC-WZUFQYTHSA-N	416.272	3.867	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@]1(C)CCCc2ccccc21	774767142	YDEXQDGILGLOET-RUZDIDTESA-N	407.558	3.959	10	20	HHCD	
CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1Cl	775293747	DBMZPXCIKLAXNY-UHFFFAOYSA-N	400.859	3.869	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccccc1I)c1ccc(N(C)C)cc1	775836669	PATQLQAONCVUPT-ZDUSSCGKSA-N	423.298	3.647	10	20	HHCD	
COc1ccc(C[C@@H](C)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC	781351249	MANHODZFLIPRHS-YLJYHZDGSA-N	413.514	3.796	10	20	HHCD	
CCOc1ccccc1NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O	785193377	YGRNKDGSFOIYFA-UHFFFAOYSA-N	421.291	3.541	10	20	HHCD	
CC(=O)c1cc(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1F	795280826	TZYKDTCAUBSKCJ-UHFFFAOYSA-N	416.408	3.854	10	20	HHCD	
C/C(=C/Cl)CSCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	797813248	ZNYWJENIVYYZLJ-XFXZXTDPSA-N	412.964	3.800	10	20	HHCD	
Cc1ccc(NC(=S)/C(=C(/O)C2=S=CC=C2)n2ccc(=[N+](C)C)cc2)cc1C	1318442920	ZVPAXIXXKBTCGA-UHFFFAOYSA-O	410.588	3.580	10	20	HHCD	
Cn1ncc2cc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)cnc21	1320445254	BKHZFPFYBWFFKJ-UHFFFAOYSA-N	405.892	3.546	10	20	HHCD	
CC(C)n1ncc2c1[C@@H](NC(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CCC2	1323971396	MZFVPLAPVLZDFT-NRFANRHFSA-N	411.550	3.520	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1cccc(NC(=O)CCN2CCOCC2)c1	1320244160	BMGSJNBMCJJWPU-NQIIRXRSSA-N	423.557	3.700	10	20	HHCD	
C[C@H](NC(=O)c1cc(Br)cnc1Cl)c1ccc(N2CCOCC2)cc1	110224076	DDMNOGDRDHHZQH-LBPRGKRZSA-N	424.726	3.825	10	20	HHCD	
COc1cc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])cc1OC	302136801	DHMLBNJBRKRJRA-NSHDSACASA-N	400.357	3.669	10	20	HHCD	
C[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1	65434376	VWHZHUTXFDBPBP-HTAPYJJXSA-N	413.493	3.506	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCCOc2ccc(F)cc21)c1ccc(N2CCOCC2)cc1	140929953	RMBOUVXEENQLST-IERDGZPVSA-N	413.493	3.936	10	20	HHCD	
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1cc(Cl)cc(Cl)c1O	807837075	ABRKDYWPLBCRIF-GOSISDBHSA-N	407.297	3.851	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)ccc1Br	472786423	IGIDNAAQGUSSHX-UHFFFAOYSA-N	414.303	3.813	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1	801611835	DUBKSGWRNMGTNG-UHFFFAOYSA-N	409.486	3.875	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1	808839897	BRSRQEDSHOITGB-JOCHJYFZSA-N	411.521	3.816	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCc2ccccc2Oc2ccccc2)cc1F	803645228	FPXTWTQJBMKOBX-UHFFFAOYSA-N	421.472	3.617	10	20	HHCD	
COc1ccc(-c2nc(C)c(C(=O)NCCc3ccc(O)c(O)c3)s2)c(F)c1	800518872	JIZKDWODJGBKQB-UHFFFAOYSA-N	402.447	3.650	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3ccc(NC(N)=O)cc3)ccc21	484672587	YOPOLYCXDIXDBU-OAHLLOKOSA-N	408.502	3.886	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1	815652710	OEJFQQKVXOVYKD-BXTJHSDWSA-N	414.477	3.721	10	20	HHCD	
Cc1ccoc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	816983038	GDPXQYBPKCTXFW-GDNBJRDFSA-N	406.554	3.947	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)c1	728954980	AOPBJCWGUCCUBB-HIFRSBDPSA-N	419.909	3.702	10	20	HHCD	
Cc1c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cccc1OCC(F)(F)F	727946163	ATBMTMPCYSLEFI-UHFFFAOYSA-N	423.435	3.599	10	20	HHCD	
CCOc1ccc(CNCCC(=O)Nc2ccc(Br)cc2C)c(O)c1	726189632	HCJQYAUIGOPAMR-UHFFFAOYSA-N	407.308	3.980	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(OC)c(Br)c(OC)c2)c1	728980014	TVONBYTYFNFZEJ-SNVBAGLBSA-N	410.264	3.672	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1	728984713	SFOGGQPULSCNSK-GDBMZVCRSA-N	416.905	3.784	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)c1O	727836752	FXYXRRORZXETEU-MRXNPFEDSA-N	420.225	3.703	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1	734060706	GFXIKZSTZHULJS-UHFFFAOYSA-N	419.481	3.695	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(OCCOC)CC3)c2C)cc1	735078033	UEXFFNLHFBMYOB-UHFFFAOYSA-N	414.546	3.803	10	20	HHCD	
C[C@H]1CSCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	737713295	WKGZWZAXRYDNKH-GVIGZQTCSA-N	412.627	3.693	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H](C(C)C)N3C[C@H](C)O[C@H](C)C3)cc2)CC1	731017375	XTZQQFDJVVTXKY-ZRCGQRJVSA-N	401.595	3.673	10	20	HHCD	
CC[C@@H]1CCCCN1CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	733351585	KIYPMNLNFMOIDN-QWFCFKBJSA-N	420.573	3.503	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cc1	732892498	CTSLHYJQJBKEHL-FQEVSTJZSA-N	412.509	3.619	10	20	HHCD	
Cc1ccc(-c2nnco2)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	736986372	OAKJISXKWCJQSC-MRXNPFEDSA-N	407.474	3.764	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H]3c3ccc(Cl)cc3)nc12	917097072	VROANXLDLHXOEC-KRWDZBQOSA-N	400.866	3.602	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1Cl	742334608	QCYHOFIRYBJWHY-ZDUSSCGKSA-N	416.877	3.889	10	20	HHCD	
COc1cc(C)cc(CN2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1O	915837353	RZMGFAFLSDIERO-UHFFFAOYSA-N	402.363	3.727	10	20	HHCD	
CC(C)=CC(=O)NCc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	743339526	SKRKKOLEOYPVIT-JOCHJYFZSA-N	422.525	3.796	10	20	HHCD	
CN(c1ccc(CNC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1)C1CCCCC1	742416514	AAIFYPYZJJOAEF-JOCHJYFZSA-N	407.514	3.862	10	20	HHCD	
COc1cc(Br)cc(CNCCOc2ncccc2C(F)(F)F)c1O	746753049	ARDXCIIHSGEWMM-UHFFFAOYSA-N	421.213	3.746	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1c(F)cccc1Cl	746223813	YWUBAQZIZVNJLX-UHFFFAOYSA-N	405.901	3.687	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C	743666791	RAGWRESBNBBRND-AZUAARDMSA-N	418.582	3.944	10	20	HHCD	
O=C(NCCN1CCCc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1	749214397	VXYAPANSXSGVTL-OAQYLSRUSA-N	409.530	3.536	10	20	HHCD	
CC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1	742026470	FGVLOVOOFCKORX-UHFFFAOYSA-N	416.952	3.810	10	20	HHCD	
COc1cccc(CN(C[C@H]2CCCO2)C(=O)NCc2ccc(N3CC=CC3)cc2)c1	741090095	BUQLTVBUWLHUCI-XMMPIXPASA-N	421.541	3.962	10	20	HHCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC	743870220	LZIZGOCXPYCEHS-IAGOWNOFSA-N	400.519	3.887	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](c3c(F)cccc3Cl)N(C)C)CC2)cc1	740741244	UHAQTNDYGZNASV-OAQYLSRUSA-N	419.928	3.829	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F	742334029	CXKGZNRVZOJAIE-CQSZACIVSA-N	414.449	3.683	10	20	HHCD	
CC1CCC(N2C[C@@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)CC2=O)CC1	751307321	IYEQJNKTYQROOC-ADKAHSJRSA-N	417.513	3.762	10	20	HHCD	
CC(C)c1nc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2s1	921204806	UTXKUKOBLMVLPL-UHFFFAOYSA-N	405.501	3.749	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc([N+](=O)[O-])ccc1O	756539008	GXTRNOHFRGRAGX-GXTWGEPZSA-N	406.280	3.992	10	20	HHCD	
CC(C)C[C@@H](C)OCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	755197835	KAOXBUNVKJXPSE-MRXNPFEDSA-N	416.484	4.000	10	20	HHCD	
C[C@H](NCCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(Br)cc(F)c1O	756482146	GZRAABIHWKIDHY-MCIONIFRSA-N	403.336	3.834	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc(C)cc(N)n3)c2C)cc1	920425757	UYZCYDXYMPYGSU-UHFFFAOYSA-N	410.499	3.536	10	20	HHCD	
CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCCSc1nccs1	759591597	YGOFPNJAXGQLST-UHFFFAOYSA-N	414.547	3.677	10	20	HHCD	
CCNC(=O)COc1ccc(CN[C@H](C)c2ccc3ccccc3c2O)cc1OC	756432916	LBTCHOCTEHXJRE-MRXNPFEDSA-N	408.498	3.920	10	20	HHCD	
COc1cc2nc(CN(Cc3ccco3)Cc3ccccc3O)nc(O)c2cc1OC	756319768	PGNKVYONVNZQIN-UHFFFAOYSA-N	421.453	3.854	10	20	HHCD	
CCOc1ccc(O)c(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1	767190998	KQFIWUUDFGETSR-MRXNPFEDSA-N	408.420	3.700	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(OC)c(OC(C)C)c3)CC2)cc1F	760958349	GKTSLLTWBAHWGE-UHFFFAOYSA-N	417.481	3.984	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	768684792	DGLCBAFXFDAMBP-ICSRJNTNSA-N	403.567	3.648	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2F)C[C@H](C)O1	763423985	ASKQSXYCKVUOOM-RYUDHWBXSA-N	423.391	3.556	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCNC(=O)OCc1ccccc1	760578842	VGTXAKIWPUGZTQ-UHFFFAOYSA-N	411.502	3.575	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1OCCOC	761752237	FYROOQRKAGNHLT-UHFFFAOYSA-N	408.292	3.842	10	20	HHCD	
C[C@H](NCCN1CCc2sccc2C1)c1ccc(N2CCOCC2)cc1Cl	765281095	QBDKXAKQOIJOQT-INIZCTEOSA-N	405.995	3.947	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC(=O)N(C)c2ccccc21	1116309751	RIGJHVSKDSPUJW-INIZCTEOSA-N	417.303	3.654	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C(C)(C)c3ccc(OC)cc3)cc2F)CC1	765436084	CFYKZHPAWKKMML-UHFFFAOYSA-N	413.537	3.570	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)cc1	765264644	APQRLXKSNKKYNB-LJQANCHMSA-N	415.603	3.967	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(CN(C)C)on2)cc1	1116527573	CELHBRSQEIQEHS-UHFFFAOYSA-N	408.502	3.658	10	20	HHCD	
Oc1ccc(F)cc1CNc1ccccc1N1CCN(CCc2ccncc2)CC1	779036437	WAUIKAMCTDIIJT-UHFFFAOYSA-N	406.505	3.903	10	20	HHCD	
COC1(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCCCC1	773238764	WWALQYWNMULRPN-IAGOWNOFSA-N	407.530	3.588	10	20	HHCD	
Cc1c(I)cccc1NC(=O)NCc1ccc(N(C)C)cc1	1116521403	OFSZKQCZUJSAFU-UHFFFAOYSA-N	409.271	3.987	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3cc(Br)nn3C)SC2=S)cc1	779800739	WMLONVAKQAUTDK-JYRVWZFOSA-N	423.361	3.654	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(OC(C)C)c(OC)c1	777829478	YFFCXFROPVDHDN-UHFFFAOYSA-N	421.877	3.657	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1	775516361	IKXNNLGEIFYQBZ-UHFFFAOYSA-N	417.531	3.585	10	20	HHCD	
Cc1nc([C@@H](NCc2ccc(N3CCN(C)CC3)cc2)c2ccc(Cl)cc2)no1	771871600	GCOJYVQQXBUIHO-NRFANRHFSA-N	411.937	3.662	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	776864024	HNHYYOQAIIVSIJ-AOIWGVFYSA-N	407.530	3.570	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(OC(C)(C)C)nc3)CC2)cc1	778797028	XFQDPXCZQBJYAD-UHFFFAOYSA-N	412.534	3.736	10	20	HHCD	
COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1OC	789725873	FUSRKQYYWUJPCC-UHFFFAOYSA-N	424.906	3.536	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2cccc(N(C)C)c2)cc1	789963727	LMRXYAJWVCTARH-DEOSSOPVSA-N	409.574	3.959	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cn(-c4ccccc4)nc3C)CC2)cc1	781471571	VPHDNYRKYLUKSN-UHFFFAOYSA-N	405.502	3.980	10	20	HHCD	
Cc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1-c1nnnn1C1CC1	784674961	IKMYVKJLSNGHKM-UHFFFAOYSA-N	408.481	3.571	10	20	HHCD	
COc1ccc2[nH]c3c(c2c1)C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)CC3	782757961	LVRDSQLIFPNNDR-QGZVFWFLSA-N	423.532	3.924	10	20	HHCD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)s1	782517337	VRGQXUUMTGGOJK-UHFFFAOYSA-N	412.490	3.579	10	20	HHCD	
CN(CC(=O)Nc1ccc2nc(O)[nH]c2c1)c1ccc(OCc2ccccc2)cc1	781962995	GLOHFSMONSQPSK-UHFFFAOYSA-N	402.454	3.922	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1cccc(Cl)c1Cl	789246754	WDZJOMKETFMEOL-UHFFFAOYSA-N	409.313	3.804	10	20	HHCD	
CCOc1ccccc1[C@@](N)(C(=O)NCCCSc1nccs1)C(F)(F)F	788000377	RWBOJBNGVCDOTK-MRXNPFEDSA-N	419.494	3.557	10	20	HHCD	
C[C@H](NC(=O)N(C)CCCOCc1ccccc1)c1ccc(N2CCOCC2)cc1	798387863	LOCNUZYZLSOPJM-FQEVSTJZSA-N	411.546	3.833	10	20	HHCD	
CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)s1	797140899	OJFCBGGXQWZLCX-MCIONIFRSA-N	402.564	3.999	10	20	HHCD	
Cc1cc(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)c(C)n1-c1cccc(Br)c1	791182100	MLXYKJDSJTZOPP-ZIAGYGMSSA-N	423.376	3.838	10	20	HHCD	
COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c(O)c1	794382282	UGKUYYULUCMHSV-QGZVFWFLSA-N	423.296	3.629	10	20	HHCD	
CC[C@H](NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccc(C)cc1O	794795547	QGLRUMJLSRHQEX-LEWJYISDSA-N	414.546	3.832	10	20	HHCD	
CC(C)n1cnc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	798971527	TVWWUZBODXTARG-GOSISDBHSA-N	415.538	3.526	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccc3nsnc23)c1	799184558	RGFXOGQCBZNYHK-UHFFFAOYSA-N	424.479	3.978	10	20	HHCD	
CCOCc1ccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1	1318887867	LXJWIGBZXJFEKP-UHFFFAOYSA-N	414.525	3.826	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc4nc(C(F)F)[nH]c4c3)CC2)cc1	1336533621	JGUAMDKDXAXGKG-UHFFFAOYSA-N	400.429	3.862	10	20	HHCD	
Cc1ccc(-n2cnn(CN(C)Cc3ccc(N4CCOCC4)cc3)c2=S)c(C)c1	16878821	MGIYJEQDAZZHIB-UHFFFAOYSA-N	423.586	3.946	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)c2ccc(C)o2)OCCO3)cc1	4244693	WGGBZCOOSYXGSB-UHFFFAOYSA-N	413.451	3.699	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1Cl	28257016	ZZRJCRCZIIIDJT-UHFFFAOYSA-N	410.904	3.666	10	20	HHCD	
CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N	29033579	GIQPCJUEZABZIB-ZDUSSCGKSA-N	411.483	3.882	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)nn4cccnc34)c2C)cc1F	109131490	WVDJVAITEJABSP-UHFFFAOYSA-N	420.444	3.932	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(OC)c(C(=O)OC)c3)ccc21	482624071	OKOXXZOXARBHIK-UHFFFAOYSA-N	424.497	3.630	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)n(C)c2ccccc12	527454066	JZOZOAMDGHPUSR-YADARESESA-N	420.557	3.575	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2ccccc2nc1O	726564733	SCRYYBMUOQFICM-UHFFFAOYSA-N	413.424	3.941	10	20	HHCD	
COCc1cccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726611513	RCSCNRNTYHJMFV-UHFFFAOYSA-N	419.472	3.903	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)cc1	729512847	UIMHCHUORHUBRA-XMMPIXPASA-N	409.574	3.689	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC[C@H](C3OCCO3)C2)cc1)C1CCCCC1	729601710	UHQCTOMKMFTQGW-IBGZPJMESA-N	401.551	3.750	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccc(Br)cc3)CC2)cc1	730131446	LVIUJMQBOLAUFH-UHFFFAOYSA-N	418.335	3.880	10	20	HHCD	
COc1cccc(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)c1O	730832144	BQZGUAGSVNVEAO-UHFFFAOYSA-N	408.792	3.503	10	20	HHCD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1	732250355	ZEMZCYQKCRZFJD-FQEVSTJZSA-N	416.610	3.818	10	20	HHCD	
COCc1nc(OC)c2c(C)c(C(=O)NCCCSc3nccs3)sc2n1	733972430	RFJOAMLHOHWRDI-UHFFFAOYSA-N	424.573	3.523	10	20	HHCD	
Cc1noc(-c2ccccc2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	741909432	QDFZZKAGPURKRY-GASCZTMLSA-N	424.476	3.728	10	20	HHCD	
Cc1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1	743045651	RURNFAUPPHSXMX-UHFFFAOYSA-N	406.460	3.830	10	20	HHCD	
CCC(CC)c1cc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)on1	743564149	DWGQSCCFZYGHQM-MRXNPFEDSA-N	400.523	3.975	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@@H](c3ccccc3F)c3nccn3C)ccc21	746986131	XPWFGGFLXOORCS-NRFANRHFSA-N	407.493	3.530	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(CCC(F)(F)F)cc1	753561030	XFWORACIYMNIKL-UHFFFAOYSA-N	417.431	3.813	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2c(Br)cccc2[N+](=O)[O-])cc1	753590937	GWNNXHQWCYAUQU-UHFFFAOYSA-N	409.236	3.546	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cnn(CCC(C)C)c2C(C)C)c1	753829624	UDQKXYQMXFYQPZ-HNNXBMFYSA-N	416.522	3.583	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@@H](c3cccnc3)C(C)C)CC2)cc1F	753911353	LYJPAYUMSVEFIZ-LJQANCHMSA-N	400.498	3.501	10	20	HHCD	
C[C@H](NCCCSc1nccs1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	753966453	YCJFESXJVNUYER-WMZOPIPTSA-N	421.588	3.641	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCc2cc3c(OC)cc(OC)cc3[nH]2)c1	756639760	CVXAYBSDFGEKAL-AWEZNQCLSA-N	412.486	3.961	10	20	HHCD	
O=C(OCc1ccnc(-c2ccc(Br)cc2)n1)c1cccc(O)c1O	758558072	NEDDHXPYABXQHZ-UHFFFAOYSA-N	401.216	3.674	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccc(F)cc1)C1CCCC1	759590818	XSMDUDXMSYBERD-XQVAWMAZSA-N	413.445	3.841	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(c2ccccc2Cl)CC1	763476995	IXTGHLINWVFZIY-UHFFFAOYSA-N	417.912	3.847	10	20	HHCD	
O=[N+]([O-])c1cc(Br)cnc1NCc1cccc(Br)c1O	764935602	ZMNZYLPAMYHAGM-UHFFFAOYSA-N	403.030	3.833	10	20	HHCD	
Cc1cccc(S(=O)(=O)CCCOC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	766189458	VZGUHGYYFNYCTA-UHFFFAOYSA-N	412.511	3.818	10	20	HHCD	
COC[C@H]1CCCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	768384666	PBUBDGHPOJIODX-DLBZAZTESA-N	411.493	3.715	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)cc1	770821298	XZPGDYSDBOWFCG-OALUTQOASA-N	410.562	3.814	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	771066305	QWIIEFLTHKOVIP-MRXNPFEDSA-N	403.866	3.657	10	20	HHCD	
C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCOc2cc(N(C)C)ccc21	774754659	WOUHSVOAOJBLIB-GOSISDBHSA-N	408.546	3.969	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3cc(Cl)ccc3Cl)nc12	774872541	CPDROJGOXRFMPB-SNVBAGLBSA-N	409.273	3.769	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1F	775058471	ZLUJHYPVXNMPCP-UHFFFAOYSA-N	406.479	3.649	10	20	HHCD	
CN1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1	779540326	QUECZJDLSYJAMD-YYQKXRDQSA-N	404.869	3.713	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCc2cc(F)ccc2F)cc1)C1CCCCC1	787035097	AFKHSRQKQAUXDA-UHFFFAOYSA-N	415.484	3.666	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1cccc(OC(F)F)c1	787864877	RIMHRWOVLKQIOJ-OAHLLOKOSA-N	419.472	3.580	10	20	HHCD	
CC(C)C[C@]1(CO)CCCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	788744597	UQFHVJIIRYHZND-BSRJHKFKSA-N	421.557	3.522	10	20	HHCD	
C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	791985724	YYTAPYYNMBGUPM-NSHDSACASA-N	422.824	3.628	10	20	HHCD	
C[C@@H](CCOCc1ccccc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	806673482	JEPKKEFQUBYUTK-HNNXBMFYSA-N	402.878	3.805	10	20	HHCD	
C[C@H]1CC(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C[C@H](C)C1	806899334	DCQPHZNFKXSAGK-QZTJIDSGSA-N	411.546	3.815	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1OCC1CC1	807512040	IXSQISGGGFOBHI-UHFFFAOYSA-N	409.269	3.743	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](OC)c1ccc(Cl)cc1	807597499	JUHPWBFAPMQANV-FQEVSTJZSA-N	418.921	3.678	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)c1ccc(N(C)C)cc1	807672988	LCFRTMYJJXQAMN-CQSZACIVSA-N	422.356	3.986	10	20	HHCD	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807676008	BVLBDKZVKPBHSW-VGOFRKELSA-N	413.537	3.795	10	20	HHCD	
CCCNc1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	807845884	BATXLURVUVVTBD-UHFFFAOYSA-N	421.497	3.652	10	20	HHCD	
CC(=O)C(=O)CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1	808014486	KVYWLCGBPKFYLI-UHFFFAOYSA-N	401.875	3.750	10	20	HHCD	
COc1cc(N2CCN(C/C=C\c3ccc(F)c(F)c3)CC2)cc(OC)c1OC	809639271	JYTZEOIEJVLUMD-PLNGDYQASA-N	404.457	3.826	10	20	HHCD	
Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)c1	812394889	ZKFDUSAMHYCOHP-LJQANCHMSA-N	422.529	3.852	10	20	HHCD	
Cc1cc(O)c(CN2CCC(NS(=O)(=O)c3cccs3)CC2)cc1C(C)C	813151959	CUQRWCVEWNHSIF-UHFFFAOYSA-N	408.589	3.828	10	20	HHCD	
Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2	813589779	DQMFHTAOBNMABD-JOCHJYFZSA-N	411.521	3.972	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(Cc2ccccc2Br)CC1	816028611	KESWKUPRSQDSPT-ZDUSSCGKSA-N	404.304	3.930	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	915307574	KTMYJSALAWIICN-UHFFFAOYSA-N	404.854	3.749	10	20	HHCD	
COc1ccc(N2CCN(Cc3nc(O)c4ccc(C(F)(F)F)cc4n3)CC2)cc1	915877608	XGILUUQXAVCAJA-UHFFFAOYSA-N	418.419	3.685	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCc2c(cnn2-c2ccccc2)C1	916587633	RHPNIWSWNYDNIE-UHFFFAOYSA-N	401.514	3.740	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(F)c(Cl)cc3Cl)cc2)C1	917834275	WHVIUUXVADBITJ-CYBMUJFWSA-N	424.303	3.764	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2cnc3ccccc3c2)c(C)n1-c1ccccc1	918249588	BNFNWHCRPGCSIQ-UHFFFAOYSA-N	412.493	3.940	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c2ncccc12	918304714	VMJYFYYBSKNMCB-UHFFFAOYSA-N	410.905	3.941	10	20	HHCD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	921151172	JVSLRHMVIYUNSJ-GCJKJVERSA-N	400.519	3.849	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(CS(C)(=O)=O)CC2)c1	1117728392	ZTBQQDHYBQNSMZ-UHFFFAOYSA-N	408.951	3.644	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c(C)n1-c1ccccn1	1322274038	ICCUOXHRVDKDMG-HXUWFJFHSA-N	402.498	3.524	10	20	HHCD	
Cc1cc([C@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)o1	1323796599	MDYHIMCHMQSGFI-BBWFWOEESA-N	417.525	3.616	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(S(=O)(=O)CC)c2)cc1	1328736433	JCCQKMFKKUFQCP-UHFFFAOYSA-N	403.548	3.990	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3n[nH]cc3Br)cc2Cl)C1	1351934979	LSKDLTQPZUPSQX-LLVKDONJSA-N	411.731	3.992	10	20	HHCD	
C/C=C(\C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821294880	VDLIIFLDAOTWFJ-MTDDYQMPSA-N	418.881	3.746	10	20	HHCD	
CCOc1ccc(O)c(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1	13262469	RNKYWQVYFCXHOR-YBEGLDIGSA-N	401.465	3.895	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(Cl)c3)CC2)cc1	18176749	CYXBXYNUTDCWLC-UHFFFAOYSA-N	402.926	3.682	10	20	HHCD	
COc1ccccc1-c1nnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1	27446586	GLNQMJUYZDQJQN-UHFFFAOYSA-N	412.515	3.562	10	20	HHCD	
C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	109184598	NGEFUHOYDFBSNW-HNNXBMFYSA-N	408.420	3.798	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)ccc21	116167067	JWXALSMRKPKGGB-XMMPIXPASA-N	413.521	3.857	10	20	HHCD	
COc1ccc([C@H](NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)C(C)C)cc1	567762436	MKHINLOJUDNHHE-JOCHJYFZSA-N	407.514	3.625	10	20	HHCD	
COc1ccc2[nH]cc(C3=CCN(c4ccccc4S(=O)(=O)N(C)C)CC3)c2c1	647857920	SUPYGBYTDYJKNQ-UHFFFAOYSA-N	411.527	3.721	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(OC3CCCCC3)nc2)cc1F	726249279	HQCYQNOVLHKSPW-UHFFFAOYSA-N	400.498	3.998	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(Br)c3O)CC2)cc1	730284371	ULPMGSZBYBTVRC-UHFFFAOYSA-N	405.292	3.562	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCNC(=O)OC)sc(C)c1-c1ccc(F)cc1	730742390	LSWOLHYGTLEXKG-UHFFFAOYSA-N	408.451	3.724	10	20	HHCD	
CC[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C[C@@H](C)O1	732149921	RHWLMSFTFGHMRL-PJMOXLGBSA-N	424.613	3.755	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1	734407337	OFMUXPBUTSDZHN-UHFFFAOYSA-N	422.550	3.965	10	20	HHCD	
O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc(N2CCCS2(=O)=O)c1	740801288	USWHDIRUMPNDAU-UHFFFAOYSA-N	413.543	3.859	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1	740813248	ZSLGLWIFZPEDKS-UHFFFAOYSA-N	420.915	3.822	10	20	HHCD	
Cc1ccsc1S(=O)(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742335162	XJFNKEQXKFMDDT-CYBMUJFWSA-N	402.488	3.605	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1	742476242	PKZWOXSNDQBBLG-HSZRJFAPSA-N	422.573	3.817	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CCN(CCc2ccccc2)C1	743588134	RIBTZYHLLAXSJN-FQEVSTJZSA-N	407.558	3.635	10	20	HHCD	
CC(C)(C)OC(=O)NC1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1	743625740	OADNZWLURXCBAD-UHFFFAOYSA-N	417.550	3.906	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1	745289366	IIYITHARDXWFNL-DEOSSOPVSA-N	424.589	3.574	10	20	HHCD	
C[C@@H](OC(=O)[C@@H](C)C(F)(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	745617647	BFTQDNBRJGMUMP-GHMZBOCLSA-N	419.355	3.531	10	20	HHCD	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	749508393	LBYBQUKUGLCZRB-UHFFFAOYSA-N	406.486	3.842	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3occc3Br)cc2F)C[C@@H](C)O1	751238368	FXEWEBOXIGWRHL-VXGBXAGGSA-N	411.271	3.725	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CC(c2cccc(F)c2)=NO1	751306606	WXAZSAURJRVJLP-GOSISDBHSA-N	401.401	3.667	10	20	HHCD	
COc1ccc2c(ccn2CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	751406369	PUZIDRWBXDUUMF-QHCPKHFHSA-N	421.541	3.924	10	20	HHCD	
Cc1cc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl	752404800	XLKFLKMQXLNTGF-UHFFFAOYSA-N	404.297	3.933	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(F)cc3Cl)CC2)cc1F	753856519	CEYQUOIVXUGCCI-CYBMUJFWSA-N	409.864	3.776	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3OC(F)F)CC2)cc1F	753862264	WLGPNGNPKLXGAW-AWEZNQCLSA-N	423.435	3.585	10	20	HHCD	
Cc1c([N+](=O)[O-])cnc(N(Cc2ccccc2O)C[C@H]2CCCO2)c1Br	754061072	RYDFFGRVQDGHAF-CQSZACIVSA-N	422.279	3.952	10	20	HHCD	
CCC1(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCCC1	757141168	UDVZWMNTMGILHD-IAGOWNOFSA-N	420.525	3.569	10	20	HHCD	
CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	758150674	DPZYHVLDDKRBKD-CQSZACIVSA-N	423.435	3.827	10	20	HHCD	
OC[C@@H](CNCc1c(O)ccc(Cl)c1F)Cc1ccccc1Br	758526685	JMABHRODWUXFGG-LLVKDONJSA-N	402.691	3.888	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnn(-c2cnc3ccccc3n2)c1	760035237	SOJWUFOWTSXUKC-UHFFFAOYSA-N	401.474	3.512	10	20	HHCD	
COc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)n1	760080958	FHBBXUXINPDSDV-UHFFFAOYSA-N	406.433	3.791	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccn(C4CCCC4)n3)cc2F)C[C@H](C)O1	763281255	LUZDAZXTZZLWCQ-HOTGVXAUSA-N	400.498	3.681	10	20	HHCD	
CCC(CC)(CNC(=O)NCc1cc(OC)ccc1O)c1ccc(OC)c(OC)c1	764726016	CZDVMAUUQRLLPO-UHFFFAOYSA-N	416.518	3.975	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccnn3C3CCCC3)cc2F)C[C@@H](C)O1	764927365	ZALGEQOEVSIFPK-IYBDPMFKSA-N	400.498	3.681	10	20	HHCD	
CC(=O)OCCc1cccc(NC(=O)NCc2cccc(Br)c2O)c1	765343488	UBKXAHOOAAJAHC-UHFFFAOYSA-N	407.264	3.582	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](C)[C@H]3CN(Cc4ccccc4)CCO3)CC2)cc1	765638725	OIASRWMKCSIEED-CJFMBICVSA-N	409.574	3.543	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	765894457	SDCIMSKZNNBIES-UEVCKROQSA-N	423.557	3.603	10	20	HHCD	
CSc1ccc(S(=O)(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1	768013760	VDXQSLIYTUKBHE-UHFFFAOYSA-N	417.600	3.741	10	20	HHCD	
C[C@@H](NCc1cc(Br)cc(Br)c1O)C(=O)OC(C)(C)C	769555110	FPPNYYWMQFXSOG-MRVPVSSYSA-N	409.118	3.737	10	20	HHCD	
Cc1ccncc1[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	771421074	KLUBWSWKENESKQ-BBWFWOEESA-N	400.498	3.703	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F	773764231	YEVDUQLCXFMADD-LLVKDONJSA-N	423.366	3.802	10	20	HHCD	
C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1cc(Cl)c(Cl)cc1O	774304735	XJNJZWBGDSNDIH-LIRRHRJNSA-N	424.372	3.639	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(OCCN3CCCCC3)cc2)c1O	774936383	SEPBARQIJQBJNE-UHFFFAOYSA-N	401.463	3.786	10	20	HHCD	
COc1ccc(O)c(CNCc2ccc(Cl)cc2I)c1	775202793	VPHLJGMRTLAOBQ-UHFFFAOYSA-N	403.647	3.949	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	775776009	BFYMLEHILGVVAY-VGSWGCGISA-N	415.509	3.580	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1Oc1ccccc1	776116471	CHOUCFLTRVXMFV-ZRBLBEILSA-N	409.530	3.711	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	777749574	ZYDWGIKJMZCSDO-UHFFFAOYSA-N	417.575	3.666	10	20	HHCD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1	777826479	OCIFHFXIPCAUSU-INIZCTEOSA-N	408.458	3.985	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC(=O)c1ccc(C)cc1	777828109	HZRQQBPHMPZZHJ-UHFFFAOYSA-N	403.862	3.519	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(Br)cc1Br	778920177	ZEASMLNREJBZMC-UHFFFAOYSA-N	401.054	3.553	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccc(N)cc1	783482775	KFBWMPYCGVXTCU-OAHLLOKOSA-N	403.438	3.730	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(Br)nc2)C2CCCCC2)cc1	784062498	NTXBYABVNWXHPJ-UHFFFAOYSA-N	417.307	3.731	10	20	HHCD	
COC(=O)N(C)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1	784107265	RMFNCVCCCDDZCE-UHFFFAOYSA-N	424.501	3.633	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC3(CC2)COC(=O)N3)cc1	784416968	PFLDGEUIDIZMSH-UHFFFAOYSA-N	407.474	3.883	10	20	HHCD	
CC(=O)Nc1cccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C	785533243	TYEMRFODHWVJRW-HUUCEWRRSA-N	413.493	3.636	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@H]1/C=C\c1ccccc1	788931084	DREMHTOSRXYCRG-MMIRBSHRSA-N	403.526	3.607	10	20	HHCD	
O=C1NCCN(Cc2c(O)ccc3ccncc23)[C@H]1c1ccc(OC(F)(F)F)cc1	790458996	CMPYVYKSJCEYCG-IBGZPJMESA-N	417.387	3.512	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(I)c(C)cc2C)c(O)c1	794390951	RYDFQBVDGWTJSF-UHFFFAOYSA-N	411.239	3.552	10	20	HHCD	
Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	802568115	ODQSEUBMVUZOAC-GOSISDBHSA-N	416.525	3.863	10	20	HHCD	
CN(C)c1c(Cl)cccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807512766	IEBIOSBLYHNBLH-UHFFFAOYSA-N	416.692	3.673	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1O	809658186	GVESJVFLUHPPMA-JTQLQIEISA-N	404.810	3.863	10	20	HHCD	
COc1cc(Br)cc(CNCc2cc(C)nc(N3CCCC3)c2)c1O	810168534	GSFAPTPBYHMKCS-UHFFFAOYSA-N	406.324	3.757	10	20	HHCD	
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	813682765	JGXZWQVXAUEBIX-LBPRGKRZSA-N	407.319	3.625	10	20	HHCD	
COc1ccc(-n2cc(O)c(C(=O)NCc3cc(Cl)cc(Cl)c3O)n2)cc1	813684175	LQEQGPHTMNPERC-UHFFFAOYSA-N	408.241	3.529	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)nc1	814940243	SBUPYDFLBSUQSO-UHFFFAOYSA-N	407.470	3.760	10	20	HHCD	
Cc1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cccc1-c1ncco1	815399675	HMBAAIQBJGLRER-UHFFFAOYSA-N	418.497	3.846	10	20	HHCD	
Cc1ccc([C@H](NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1	857758437	HLNPNELLNSKCRZ-VWLOTQADSA-N	407.558	3.531	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccnc3Cl)n2)cc1	861504006	ABEAVXYFXLZGBI-UHFFFAOYSA-N	408.892	3.618	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(OCC(F)(F)F)cc1	914754851	XTVBVHBUUWHJRA-UHFFFAOYSA-N	408.420	3.737	10	20	HHCD	
Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccccn1	914849687	QGTWYCBYAZUWJG-GOSISDBHSA-N	418.497	3.650	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1	915222781	ZBOKFHYXTNAYPV-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2)n1	918067312	BFAUBMIGCIUEBG-UHFFFAOYSA-N	418.545	3.824	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1cc2c(s1)CCCC2	918220680	JCTDUZDMJQXLFC-UHFFFAOYSA-N	417.550	3.727	10	20	HHCD	
CC(C)(C)c1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918295932	UDSONXBSUWMSNE-SFHVURJKSA-N	410.514	3.836	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1	918433932	JGJAPTFBMNWHFU-UHFFFAOYSA-N	406.486	3.806	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]3C(=O)NCc3ccco3)c2C)cc1	918675633	DVUQNYFTOUNNBG-JOCHJYFZSA-N	421.497	3.617	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)Oc3ccccc3)cc2F)C[C@@H](C)O1	1318798009	UUFPSPKREXSUEF-CALCHBBNSA-N	400.494	3.913	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)c1	1324911995	OAXZDGAHBWZXIQ-PGRDOPGGSA-N	412.917	3.962	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)c(Br)[nH]2)c1	1337104911	SXKBXKUUOOXPQQ-SSDOTTSWSA-N	418.085	3.745	10	20	HHCD	
C/C=C(/C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2	1783082372	OEQWLNILEJLTDW-SRVWLLSISA-N	421.541	3.504	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1cc(Cl)cc(Cl)c1	302943138	KJBUWQDNYYGWQL-UHFFFAOYSA-N	409.313	3.867	10	20	HHCD	
Cc1c(CNC(=O)c2nnn(-c3ccc4ncccc4c3)c2C)n(C)c2ccccc12	471223048	BURPXYPRQSBXSU-UHFFFAOYSA-N	410.481	3.854	10	20	HHCD	
CSc1cccc(F)c1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	805757138	VKFYPAQMYGRQCD-UHFFFAOYSA-N	403.523	3.726	10	20	HHCD	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806685567	UYQGLJIBKYTHKD-APWZRJJASA-N	422.520	3.525	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2cc3ccccc3o2)cc1F	804852995	QXYRUBBTNCELOP-UHFFFAOYSA-N	411.477	3.693	10	20	HHCD	
COc1ccc(N2CCN(CN3C[C@H](c4cccc(Cl)c4)CC3=O)CC2)cc1F	812284674	IUQFPWJIYLMPOI-QGZVFWFLSA-N	417.912	3.583	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1O	811703902	KTTKDZCDGFYVDE-UHFFFAOYSA-N	400.840	3.680	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2ccccc2Cl)cc1C	727358601	YZVUDZCXOPJPGD-KHPPLWFESA-N	414.936	3.823	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(-c2ccccc2)c(C)n1	810364839	JQOWTUQFPQUUFJ-UHFFFAOYSA-N	402.498	3.686	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc2scnc2c1	726077256	STMFLFHWTSSXCR-UHFFFAOYSA-N	400.479	3.718	10	20	HHCD	
Cc1ncsc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	729405830	FUVHBKVAJAAPSN-JYRVWZFOSA-N	423.610	3.811	10	20	HHCD	
Cc1ccccc1CN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1	727599722	AYBLOZLVDGJAHQ-NRFANRHFSA-N	420.557	3.571	10	20	HHCD	
C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)COCc1ccccc1	726236459	DKDLNJKGUVDSEK-PMACEKPBSA-N	411.546	3.736	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1	731678559	PVTIQMVGJRGGRX-HSZRJFAPSA-N	416.525	3.802	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(C)CC(=O)N(C)C3CCCCC3)cc2)CC1	731049543	AYFJZJGGTRZKSV-UHFFFAOYSA-N	414.594	3.855	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc21	730230717	VQBLBIQHNZJXDJ-GOSISDBHSA-N	415.534	3.644	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](c3nnc(S)n3C)C2)c(C)n1-c1ccc(F)cc1	730089577	GSDOGOKCEXIHJS-HNNXBMFYSA-N	413.522	3.670	10	20	HHCD	
Cc1cc(CC(=O)NCCCN2CCCCC2=O)c(C)n1-c1ccc(Cl)cc1	730184892	VTVDHHJZFYHVNG-UHFFFAOYSA-N	401.938	3.809	10	20	HHCD	
Cc1cc(CC(=O)O[C@H](C)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	734180061	IGPWSNZTPSRMCM-OXQOHEQNSA-N	418.921	3.517	10	20	HHCD	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	736653796	UIPJKSXCRGZYDU-APWZRJJASA-N	415.484	3.889	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2cnn(-c3ccccc3)c2)cc1F	731363477	GYHBNGCUTZDPKI-UHFFFAOYSA-N	409.509	3.900	10	20	HHCD	
COc1ccc(N2CCCN([C@H](C)C(=O)NCc3ccccc3Cl)CC2)cc1	917088380	UAHWKXLWJALKBN-QGZVFWFLSA-N	401.938	3.566	10	20	HHCD	
CCOc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])cc1OC	742476053	UEUBWYSVABHARO-UHFFFAOYSA-N	413.474	3.922	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-]	916667333	VCYNFKJILRXRRU-GASCZTMLSA-N	416.453	3.978	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCN1C(=O)c2ccccc2C1=O	918024185	YFFZKUAYDMBYTM-UHFFFAOYSA-N	421.478	3.687	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CCCC3)cc2)C1	917833018	KIUMLVIZXCVLFJ-LJQANCHMSA-N	423.532	3.656	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC(=O)N1CCCCCC1	748463616	YNKVGGJBSBYYHK-UHFFFAOYSA-N	400.567	3.611	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	914507062	ZAPBIQNBQHXHLV-UHFFFAOYSA-N	400.435	3.928	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1	916392349	OHZIOIIYWBEPCM-OAQYLSRUSA-N	424.545	3.668	10	20	HHCD	
CCc1cc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)on1	741190580	IVIMJJYYTJICIO-XNTDXEJSSA-N	421.569	3.596	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](NC(=O)NCc3c(O)ccc4c3CCCC4)C2=O)cc1	745879334	QUYRCSIVUDXBEW-OAQYLSRUSA-N	407.514	3.574	10	20	HHCD	
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3O)c2)cc1	917309031	CIWZTHNHWKGKRU-UHFFFAOYSA-N	424.522	3.798	10	20	HHCD	
O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1	919969196	YGPHHULOAVPNGP-UHFFFAOYSA-N	423.340	3.897	10	20	HHCD	
CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C	919472328	RGNSIEJPJAEOIB-OAQYLSRUSA-N	410.514	3.920	10	20	HHCD	
Cc1ccc(NC(=O)C2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)nc1	918209481	MSYFFYNFPFSAPO-UHFFFAOYSA-N	421.545	3.551	10	20	HHCD	
CS[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	743554310	ATTFEVWWRFNUFS-HOCLYGCPSA-N	417.497	3.625	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C(F)(F)F)cn2)cc1	844271169	VXBKXNKJLSZSMQ-SFHVURJKSA-N	407.436	3.988	10	20	HHCD	
C[C@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(Br)cc1O	756536088	PIGBPBGTBILGEL-JXFKEZNVSA-N	418.379	3.794	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	758002342	GYBYRPDCFZUCIP-ILXRZTDVSA-N	402.514	3.589	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c(C)n1-c1cccc(Cl)c1	920429160	JFHFVWWMXXLMBM-HXUWFJFHSA-N	401.938	3.684	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cn(-c3ccc(Br)cc3)cn2)c1	756765589	DHLRTWONNADIQA-LBPRGKRZSA-N	416.275	3.840	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(F)cc3Cl)CC2)cc1F	753856521	CEYQUOIVXUGCCI-ZDUSSCGKSA-N	409.864	3.776	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cnccc1-c1cccc(F)c1	753559810	QGEJRUNJAXAIKT-UHFFFAOYSA-N	406.461	3.517	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCC1(C3CC3)CCC1)c2[N+](=O)[O-]	752866428	XNBLMJWRGUBTDZ-UHFFFAOYSA-N	404.422	3.680	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CCn2cc([N+](=O)[O-])nc2C)c1C	920906651	MTBSGAHMDAQFAK-UHFFFAOYSA-N	424.457	3.632	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)c1c(F)cccc1F	757008186	IMBRKZWSGFHRDG-UHFFFAOYSA-N	410.411	3.582	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(N2CCSCC2)c(Cl)c1	755020577	WVAJNUXPQHTDEI-UHFFFAOYSA-N	407.923	3.669	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)cc1Cl	766564212	SEZSMKUQOALCEN-HZPDHXFCSA-N	404.917	3.640	10	20	HHCD	
Cc1nn(CC(=O)NCc2ccc(N3CCSCC3)cc2)cc1-c1ccccc1	767657640	MEDWNPWZVUVODM-UHFFFAOYSA-N	406.555	3.728	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(NC(C)=O)cc(C(F)(F)F)c3)CC2)cc1	760264298	KTMPTHKUTKSLIS-UHFFFAOYSA-N	421.419	3.635	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCC3(c4ccc(F)cc4F)CC3)CC2)cc1	761815424	BIFJJLQIGGEPFG-UHFFFAOYSA-N	415.484	3.927	10	20	HHCD	
CC[C@@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O	761091873	PELQQGHVEAOMGC-FQEVSTJZSA-N	411.477	3.578	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)N(C)CCO2	764608162	FIQYBZRTQGHCFO-UHFFFAOYSA-N	405.292	3.646	10	20	HHCD	
C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCCCSc1nccs1	768691328	AAWPEXVNNUAKAH-CABCVRRESA-N	401.598	3.629	10	20	HHCD	
Cc1onc(-c2ccncc2)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	764923921	GJIQJPUNHRUCMH-GASCZTMLSA-N	424.476	3.728	10	20	HHCD	
O=S(=O)(/C=C\c1cccc(Cl)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	768845418	FCYJMLSGEWPNPB-FLIBITNWSA-N	424.925	3.531	10	20	HHCD	
C[C@@H]1CN(Cc2cccc(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)CCO1	773244864	IITLLXZTJZZNLG-RTBURBONSA-N	410.562	3.534	10	20	HHCD	
Cc1cc(-c2nnc(C3CCN(c4ncccn4)CC3)o2)c(C)n1-c1ccccn1	1117230648	UBIRQQJUYZAGSI-UHFFFAOYSA-N	401.474	3.713	10	20	HHCD	
CCOc1ccc(CN2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)c(O)c1	770287803	CFFPAONYKZKPSK-MRXNPFEDSA-N	405.564	3.663	10	20	HHCD	
CC(C)COc1cccc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	772792666	XMXLJDVKTYMXSR-UHFFFAOYSA-N	412.530	3.595	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCCCS(=O)(=O)c2ccccc2)c1O	779012034	XUAKCCMNTVXUSA-AWEZNQCLSA-N	412.349	3.978	10	20	HHCD	
O=C(N[C@H]1CCc2ccccc2C1)C(=O)N(Cc1ccccc1O)C1CCCCC1	775124332	XQPORMAREWBAOD-NRFANRHFSA-N	406.526	3.727	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	777308085	AWFXFQIHWMLINF-INIZCTEOSA-N	422.978	3.821	10	20	HHCD	
CC[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)ccc1O	775555980	TZOKXPFNUXXQIE-VQTJNVASSA-N	402.922	3.556	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1Cc2cccc(Br)c2C1	770352009	PUZWDPXFNCGQMM-UHFFFAOYSA-N	416.319	3.511	10	20	HHCD	
CN(C)C(=O)CC1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	781540752	LPITZZVQYMFASW-UHFFFAOYSA-N	421.501	3.757	10	20	HHCD	
COC1(C(=O)OCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)CCOCC1	792730296	OWADRSBTFOEJRQ-UHFFFAOYSA-N	417.527	3.738	10	20	HHCD	
CC[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1O	796677871	XNXYZVYOHVNCNW-FQEVSTJZSA-N	406.523	3.947	10	20	HHCD	
Cc1cc(C(=O)COC(=O)/C=C/c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2	6862289	FWGRWFSRUZGDRE-SOFGYWHQSA-N	407.422	3.898	10	20	HHCD	
CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)NCc1ccccc1O	806644846	KUJMUEDMERNFQS-IBGZPJMESA-N	411.502	3.726	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1N1CCCCC1	809697202	DFPOOOMHXQLCEQ-JKSUJKDBSA-N	401.429	3.578	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C3(c4cccnc4)CCCC3)cc2F)C[C@@H](C)O1	808281693	ODMZDAGVJSRDGA-QZTJIDSGSA-N	411.521	3.963	10	20	HHCD	
Cc1c(CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n(C)c2ccccc12	471234260	ICBBHONPQZBVCG-LJQANCHMSA-N	421.516	3.723	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1OC1CCOCC1	806646756	YRZSCSHTFJZVNE-CYBMUJFWSA-N	404.438	3.547	10	20	HHCD	
O=S(=O)(CCC1Cc2ccccc2C1)N(Cc1ccccc1O)C[C@H]1CCCO1	809818416	IEDBGVBXOTWYCK-JOCHJYFZSA-N	415.555	3.508	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c(C)c1OC	806549613	RHUAGNRIFUZOEC-YBEGLDIGSA-N	414.508	3.517	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc(N(C)C)nc3)n2)c(F)cc1F	811824160	KVWQDYFEHJBHNL-UHFFFAOYSA-N	410.471	3.659	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@](C)(O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	815062655	NAMPNLROQHPYLX-HLFMIMNKSA-N	420.912	3.617	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3ncc(C)c(-c4ccccc4F)n3)cc2)CC1	814879560	FSRLQSKWQASZBC-UHFFFAOYSA-N	419.504	3.872	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccn(CCc4ccncc4)n3)ccc21	483663561	BQGNZDIRABYYAK-UHFFFAOYSA-N	417.513	3.991	10	20	HHCD	
COC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	728861882	RGTCNMQTXHKHDY-KRWDZBQOSA-N	405.292	3.634	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](c3nc[nH]n3)C3CCCCC3)cc2F)C[C@@H](C)O1	813854852	GFZLGUCAVLCRMG-ZOCZFRKYSA-N	401.530	3.969	10	20	HHCD	
CC(C)(C)c1ccnc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1	814828432	CCLMAAZKEOGVLE-UHFFFAOYSA-N	421.524	3.642	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(Cc3cccnc3)C3CC3)cc2F)C[C@H](C)O1	728745496	ASPYCNJPJAMHRV-IRXDYDNUSA-N	412.509	3.709	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N[C@@H]3CCCC[C@H]3C)ccc21	728636802	AYDHNNHESQHQQS-FOIQADDNSA-N	400.519	3.756	10	20	HHCD	
C[C@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccc(N2CCOCC2)cc1	727477905	LCMSXLMVMIHGNY-HTAPYJJXSA-N	413.493	3.506	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CSCN1C(=O)C(C)(C)C	728151894	ZEIBFMIKTRJZGF-LJQANCHMSA-N	403.592	3.583	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCC4)n2)c[nH]1	727247794	NLCYLJRRDFVTMT-UHFFFAOYSA-N	417.512	3.604	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H](OC1CCCC1)c1ccccc1	727015074	HLCYNHFAFRRQQC-XMMPIXPASA-N	424.541	3.955	10	20	HHCD	
Cc1ccc(CC(=O)N2CCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2)cc1	725744529	PLPVGIVZOZOGIL-UHFFFAOYSA-N	421.566	3.991	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCCC[C@@H]3c3ccco3)cc2)C1	737036813	LPNGZAAUJODTSE-PZJWPPBQSA-N	424.545	3.808	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCCNC(=O)c2ccc(F)cc2)cc1	732248690	HBNKQSZCLAOGFK-UHFFFAOYSA-N	414.525	3.633	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O	733367452	BXEYWIWFJCDPIK-UHFFFAOYSA-N	418.419	3.935	10	20	HHCD	
CC(C)(C)c1cccc(OCCNC(=O)NCc2ccc(N3CCOCC3)cc2)c1	733801924	RGBMHFIFFSNAHE-UHFFFAOYSA-N	411.546	3.699	10	20	HHCD	
COC(=O)[C@@](C)(NC(=O)c1cc(C)n(-c2ccccc2Br)c1C)C1CC1	736256371	CFRFIWPFQSUDIR-FQEVSTJZSA-N	419.319	3.928	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(-n3cccn3)c2)cc1	735037922	OFSIESFFMCXNIO-HSZRJFAPSA-N	404.514	3.760	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2F)CC1	730133175	KMIDTVCGFNBGOB-UHFFFAOYSA-N	415.469	3.506	10	20	HHCD	
O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)n2)cc1	731844202	CNTXBAAYLXNESZ-SFHVURJKSA-N	410.430	3.532	10	20	HHCD	
Cc1cc2c(cc1C)O[C@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)C2	742556292	FYIHDPNJWWJONJ-QQMNAOGKSA-N	412.505	3.676	10	20	HHCD	
CC(C)Nc1ncccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743734811	AAWIMLQZFIIZFI-HNNXBMFYSA-N	404.461	3.902	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-]	916667335	VCYNFKJILRXRRU-HUUCEWRRSA-N	416.453	3.978	10	20	HHCD	
O=C1CCCN1Cc1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	915228837	JOBRLURFXMAFIZ-UHFFFAOYSA-N	422.529	3.997	10	20	HHCD	
Cc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC2=O)cc1F	742476247	PMWVGFNLKMFOJE-LJQANCHMSA-N	409.505	3.794	10	20	HHCD	
CN(c1ccc(CNC(=O)NCCC(=O)NCc2ccccc2)cc1)C1CCCCC1	748329927	RHJSGYMVXMVZQP-UHFFFAOYSA-N	422.573	3.961	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-n2cncn2)c(C)c1	743808374	QQXYFSYHNWVDPA-UHFFFAOYSA-N	415.291	3.706	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1	746159521	VOHDGXRSDXTCNI-UHFFFAOYSA-N	403.910	3.662	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccnn1Cc1cccs1	741784432	IEWMGENZJOKLEJ-UHFFFAOYSA-N	422.510	3.932	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)ccc1C(F)(F)F	743900780	PXNKZFHOFYWGHJ-UHFFFAOYSA-N	405.420	3.651	10	20	HHCD	
CN(CC(=O)NCCCN(C)c1ccccc1)Cc1ccc(N2CCCCC2)cc1	741712813	XSFJNCWUMMKBFR-UHFFFAOYSA-N	408.590	3.751	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)CCc3cccs3)cc2F)C[C@H](C)O1	743554445	FEADUPYWQONTOE-HOTGVXAUSA-N	405.539	3.885	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743974638	BRSVABOTFUXZQW-QGZVFWFLSA-N	417.456	3.574	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(OC[C@@H]4CCCO4)CC3)ccc21	751335397	CVUQFWSDRDNGCN-NRFANRHFSA-N	414.546	3.705	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CCC[C@H]1CO)c1cc(Br)ccc1O	757637565	HWFWHZSPEYJPDB-BEFAXECRSA-N	419.363	3.962	10	20	HHCD	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)n2)cc1C	751589416	RJLQHGSPTHTHKP-OAHLLOKOSA-N	418.544	3.694	10	20	HHCD	
COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1	758161467	FVAACWOCAFZVFF-UHFFFAOYSA-N	410.662	3.940	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCOC2CCOCC2)cc1	753299779	SWFOIXSPANDDQX-UHFFFAOYSA-N	412.530	3.880	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccc(N2CCOCC2)cc1	920870728	BKUCCUXLDAFPRJ-GOSISDBHSA-N	409.534	3.791	10	20	HHCD	
O=C(NCc1cc(Cl)cc2c1OCC2)N(Cc1ccccc1O)C[C@H]1CCCO1	758695812	PJKSFWBMTSYELK-LJQANCHMSA-N	416.905	3.871	10	20	HHCD	
CCOC(=O)c1cc(NCc2ccc(N3CCC(CO)CC3)cc2)ccc1[N+](=O)[O-]	751260236	NYNAWLIWLLODFC-UHFFFAOYSA-N	413.474	3.592	10	20	HHCD	
COCCN(Cc1cc2c(cc1Br)OCO2)c1ccc(OC)c(OC)c1	864013198	QDYWHBWJHGBWTF-UHFFFAOYSA-N	424.291	3.848	10	20	HHCD	
CCOc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ncccc12	767934840	IGZGSUXGGJRPPS-UHFFFAOYSA-N	406.486	3.996	10	20	HHCD	
COCCOc1ccc(NC(=O)NCc2cccc(Br)c2O)c(C)c1	765250812	FVFJAZPNUZEXLM-UHFFFAOYSA-N	409.280	3.810	10	20	HHCD	
COc1cc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(O)cc1C	768438658	DHSVDYTXTJIIMU-UHFFFAOYSA-N	408.420	3.686	10	20	HHCD	
Cc1ccc(C(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c(O)c1O	768574139	UGLFRAZRUALYFM-UHFFFAOYSA-N	400.475	3.573	10	20	HHCD	
O=C(NCc1nnc(-c2ccccc2)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1	760193732	WCERKSKKEYYOIU-SFHVURJKSA-N	424.526	3.802	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1	764817520	IYLMHYIMTNJGRQ-GOSISDBHSA-N	401.576	3.565	10	20	HHCD	
Fc1cc(CN[C@H]2CCc3ccccc32)ccc1N1CCN(c2ncccn2)CC1	765281969	QWEUKTUPKSWONT-QFIPXVFZSA-N	403.505	3.719	10	20	HHCD	
C[C@@H](NCCNC(=O)c1ccccc1Cl)c1ccc(N2CCOCC2)cc1Cl	765975379	DVNJLFQBXVVLEY-OAHLLOKOSA-N	422.356	3.911	10	20	HHCD	
Cc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)c(Br)c1	762064915	BLIDRCJPPTYUPU-UHFFFAOYSA-N	424.276	3.552	10	20	HHCD	
CC[C@H](c1ccccc1)N1CC(=O)N([C@H](C)c2ccc(N3CCOCC3)cc2)C1=O	761162736	WBBDDNGTOFHUMQ-XMSQKQJNSA-N	407.514	4.000	10	20	HHCD	
C[C@H](NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1	760039870	GNLVUQNJRBKTAR-LERMDLETSA-N	402.485	3.618	10	20	HHCD	
O=C(Nc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1Cl)c1ccco1	765063317	XKHSDNINOJFKGS-UHFFFAOYSA-N	418.818	3.522	10	20	HHCD	
CCc1ccccc1S(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	777934481	VZJVOKKSSRIBLY-UHFFFAOYSA-N	410.486	3.798	10	20	HHCD	
CC(C)N(C[C@H](O)COc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1	770230910	QPFBRNMHIIAGDU-QFIPXVFZSA-N	411.546	3.647	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1O	776766796	VGCMNAUBOKQDQU-DEOSSOPVSA-N	407.441	3.561	10	20	HHCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCO1	778751046	CZKBAUVUPWSHEN-UWJYYQICSA-N	407.530	3.650	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1CC	775138600	OUDQKYAZUWBXSF-NRFANRHFSA-N	410.514	3.663	10	20	HHCD	
Cc1cc(Br)cc(CNCCCCN2C(=O)c3ccccc3C2=O)c1O	776174793	ATPOFFJYBVWMIR-UHFFFAOYSA-N	417.303	3.629	10	20	HHCD	
C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(Br)cc1O	774488658	FNAHOANWSGRDTR-LBPRGKRZSA-N	417.311	3.500	10	20	HHCD	
CCNc1nc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1	771056622	FNAMQFSESOKKCD-HNNXBMFYSA-N	408.955	3.637	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)c1O	779005701	YDAPUDOWBIGTOK-CABCVRRESA-N	420.351	3.934	10	20	HHCD	
C[C@H](CN(C)Cc1ccccc1)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	776080401	IMULUZUMSSSEEU-DENIHFKCSA-N	411.546	3.603	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC4(CC3)CNC(=O)O4)c2C)c1	781999739	OKLSDIUVUQOXSL-UHFFFAOYSA-N	413.543	3.573	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	788955359	QFHDSGYXTBBGRT-IRXDYDNUSA-N	413.484	3.634	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(CCO)C2CCC2)sc(C)c1-c1ccccc1	784392517	ICSFQIRJKNLMCS-UHFFFAOYSA-N	416.543	3.686	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c[nH]cc1-c1ccccc1F	787376593	AFBVIWAELZDMJR-UHFFFAOYSA-N	407.489	3.960	10	20	HHCD	
Cc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(I)cc2)c1	793569313	MYESSPPBLSQUHI-GFCCVEGCSA-N	410.255	3.595	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	799201128	RIDOYZUXEVAVCB-XYOKQWHBSA-N	418.309	3.743	10	20	HHCD	
CO[C@H]1CCOc2c(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cccc21	790566846	AFWNGDYFMRKFRO-KKSFZXQISA-N	411.502	3.876	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(NC(=O)N(C)C)cc2)cc1	793500293	RALMHVFCDRTYFW-UHFFFAOYSA-N	411.550	3.968	10	20	HHCD	
Fc1cc(CNCc2ccsc2Cl)ccc1N1CCN(c2ncccn2)CC1	790953749	BHTXKDBXUFCGJL-UHFFFAOYSA-N	417.941	3.947	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCO[C@@]4(CCO[C@@H]4C)C3)cc2Cl)C1	799995351	YYRTYIKQNGAXKZ-YVHKJVDXSA-N	421.969	3.666	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1	1321799184	XWJNTBMZVQSBIY-UHFFFAOYSA-N	410.561	3.855	10	20	HHCD	
C/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1831343891	PMPRTZGHGOUAIF-QHKMVGIOSA-N	420.937	3.951	10	20	HHCD	
C[C@H](Sc1nnc(C2CC2)[nH]1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	11472849	GBCRRJONGCGQPL-NSHDSACASA-N	418.478	3.577	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nc(-c2ccc(OC)cc2)no1	55207482	GUDLRJPENAAMDP-UHFFFAOYSA-N	408.502	3.793	10	20	HHCD	
C[C@@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)c1ccc(N2CCOCC2)cc1	65280442	RGFYVHSXOQXKSU-MRXNPFEDSA-N	418.476	3.940	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)c3cccc(S(C)(=O)=O)c3)ccc21	500509712	GYQPIICZQJFVPK-UHFFFAOYSA-N	414.527	3.585	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cccc(N4CCCCC4=O)c3)CC2)cc1	195546818	GKGIKCTVEIEYMM-UHFFFAOYSA-N	422.529	3.956	10	20	HHCD	
Cc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1-n1cncn1	237763726	GRXDZXROHJEMKF-GOSISDBHSA-N	413.472	3.936	10	20	HHCD	
CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290350	VJEKMIJUMIJJJS-UHFFFAOYSA-N	418.324	3.644	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(CN2CCOC2=O)c1	806204461	JFINCWXULWYQIC-UHFFFAOYSA-N	410.257	3.973	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCc3occc3C1)c2[N+](=O)[O-]	809390544	BXKRHCRBPIWEIW-UHFFFAOYSA-N	416.389	3.552	10	20	HHCD	
Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)N(C)C	806541219	GXUOQQTYRWGNFS-REHUZNOOSA-N	424.589	3.883	10	20	HHCD	
CC[C@@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1O	806164526	VTRFTNYSCLLKDC-QGZVFWFLSA-N	400.903	3.546	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)cc2Cl)C1	800720675	VNDIPUZXNIQOTN-LSDHHAIUSA-N	408.974	3.679	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3nnn(Cc4noc(C)n4)c3C)c2C)c1	803562269	SNAHZKRUDYVSMT-UHFFFAOYSA-N	419.489	3.603	10	20	HHCD	
CC(C)(C)OC(=O)Nc1cc2c(cc1NCc1cc3c(cc1O)OCO3)OCO2	816603029	WOEKTWYMGDGNOO-UHFFFAOYSA-N	402.403	3.809	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccccc2O)cc(C(=O)N(C)Cc2ccccc2O)c1	813479577	AMGUABOUOURFMC-UHFFFAOYSA-N	418.493	3.951	10	20	HHCD	
COc1ccncc1CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	814329868	ZVTSROHKOYJGBP-HNNXBMFYSA-N	402.926	3.979	10	20	HHCD	
C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1	813606585	UIAYYSGNSGOGOO-MRXNPFEDSA-N	412.490	3.727	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cnn(Cc4ccccc4)c3)SC2=S)cn1	726986324	ORFDVKHDAYOYFO-MFOYZWKCSA-N	408.508	3.741	10	20	HHCD	
COc1cccc2c1OC[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C2	728400216	TZKQSTZTKZFDBV-GOSISDBHSA-N	408.454	3.709	10	20	HHCD	
CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1cc(O)cs1	732353218	ODDKSLVXEQOQBN-UHFFFAOYSA-N	411.501	3.686	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2cnn(C(C)C)c2n1	735519692	SDZUJLLQVLKLGT-GOSISDBHSA-N	408.502	3.848	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1C	731299681	XGHQNVXNPRNHMA-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC(F)F	734222203	KBFHNZLRILAXCU-UHFFFAOYSA-N	417.456	3.792	10	20	HHCD	
COc1cccc(N2CCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)c1	731049053	ZFUPFJVVRONKNJ-UHFFFAOYSA-N	422.573	3.963	10	20	HHCD	
CC(C)[C@H]1CCCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	735311892	XYXCCDYKDKIRPO-DBXWQHBBSA-N	405.558	3.566	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F	734701534	CXKKCDOQNFIRJQ-UHFFFAOYSA-N	411.449	3.928	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2nnn(-c3cccc4cnccc34)c2C)cc1	731166547	RUOZTTIGHXEUDS-UHFFFAOYSA-N	414.513	3.900	10	20	HHCD	
CC[C@@H]1c2ccccc2CCN1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	738243058	MXJKDMHAMNWLNE-XMMPIXPASA-N	408.542	3.936	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@H](c3ccccc3)C[C@H]2C)c1	734477926	VKPADRMCSKFRFQ-XMSQKQJNSA-N	408.542	3.805	10	20	HHCD	
COc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(OC)c1OC	918083828	MYRJGGLGEYGHSI-UHFFFAOYSA-N	413.518	3.653	10	20	HHCD	
CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1	918311753	UOOCJJFOAWDPLD-UHFFFAOYSA-N	424.545	3.787	10	20	HHCD	
Cc1noc(C(F)(F)F)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	746018117	VWFSKTXPQYOQQN-PHIMTYICSA-N	415.387	3.685	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)cc1	916699880	BQUJJWJTLDEZCP-UHFFFAOYSA-N	404.396	3.674	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	916662764	BGVUHFYYDAFSDY-IUXPMGMMSA-N	401.465	3.838	10	20	HHCD	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2cccs2)cs1	916102235	GYZVUUBDXQDOIP-UHFFFAOYSA-N	409.514	3.639	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C	743974978	JVWXZCXVSVATJJ-QGZVFWFLSA-N	417.456	3.629	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)CCOc3ccccc3)cc2F)CC1	744506981	YLKKWEXYAVOWHY-IBGZPJMESA-N	413.537	3.689	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc(N(C)C)cc3C)ccc2NC1=O	745932736	RSWNQJXNCLRBAF-QRWLVFNGSA-N	410.518	3.731	10	20	HHCD	
CCOc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC2=O)cc1	742483051	DWQXWINJGXCYLM-HXUWFJFHSA-N	421.541	3.745	10	20	HHCD	
CCCCCC(=O)NC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	748336699	WMOIKAUTDIXVCR-UHFFFAOYSA-N	400.567	3.657	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)cs2)c[nH]1	743045420	JNMJVIFCTIPXNU-UHFFFAOYSA-N	413.480	3.879	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCn4c(Cc5ccccc5)nnc4C3)c2c1	742155037	IQMIYMFEDSAOEK-UHFFFAOYSA-N	400.482	3.752	10	20	HHCD	
CO[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	743564519	MXAMJDGZMLQYGC-IIBYNOLFSA-N	417.937	3.925	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(NC(=O)CN(C)C)cc3)c2C)cc1	744755891	OBABRRDZRUZYRG-UHFFFAOYSA-N	420.513	3.855	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4ccc(F)cc43)cc2F)C[C@H](C)O1	746946232	LGJYRYCNNYUMNB-GJZGRUSLSA-N	401.457	3.851	10	20	HHCD	
CCC(CC)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CC1	920409839	OIFDWMIXBSIHEN-CALCHBBNSA-N	405.558	3.709	10	20	HHCD	
COCCOc1ccccc1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O	751446640	MTJOXBRVWFVRLW-ATVHPVEESA-N	415.492	3.816	10	20	HHCD	
CN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O	753544529	NILOHYFSFGSOBS-UNMCSNQZSA-N	403.544	3.759	10	20	HHCD	
C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	752180158	KIQUOFDVTJXHFU-IEBWSBKVSA-N	414.550	3.508	10	20	HHCD	
CCCn1nc(C)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C	759719469	YSDWLXBQEWVORH-GASCZTMLSA-N	402.514	3.593	10	20	HHCD	
Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2ccc(OCc3ccccc3)cc2O)cn1	753550209	VDFPIMBPBBRJJH-JTHBVZDNSA-N	407.514	3.793	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1F	753742603	SFRDXAUVTLRSTK-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)C[C@@H](O)c3ccc(F)cc3)CC2)cc1	766939296	JXCCBZLKYCGRCU-OPAMFIHVSA-N	415.509	3.615	10	20	HHCD	
COc1ccccc1N1CC[C@@H](CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	765545589	LMVCBZMYVUYXHJ-OALUTQOASA-N	413.537	3.848	10	20	HHCD	
Cc1ccc(I)cc1C(=O)NCCCSc1nccs1	763387306	UBZKHOYIDFCMHE-UHFFFAOYSA-N	418.325	3.968	10	20	HHCD	
CCSCCSCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	760515930	NDZJZHSIUKIZNE-GASCZTMLSA-N	400.585	3.542	10	20	HHCD	
CCOCCC1(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCC1	765677719	GVQGANKDYAKVPJ-ROUUACIJSA-N	421.557	3.835	10	20	HHCD	
C[C@H](NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	765505038	YMPLQDXXTVBESK-YWZLYKJASA-N	410.436	3.806	10	20	HHCD	
C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	768815853	LKMDFBOYLYFCFH-QGZVFWFLSA-N	409.509	3.821	10	20	HHCD	
Cc1ccn2ncc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2c1	766850558	MSSAZCISDYQSJZ-OAHLLOKOSA-N	400.429	3.643	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncoc1[C@H]1CCCO1	1116143054	JWTXWDWSSIBIFK-XJKSGUPXSA-N	407.417	3.526	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(OC)c(Cl)c3)CC2)cc1	765955179	SLWBELAQIIRSHE-UHFFFAOYSA-N	403.910	3.825	10	20	HHCD	
O=C(CN1CC[C@@H](NC(=O)NC2CC2)C1)Nc1ccc(N=Nc2ccccc2)cc1	760895728	CROQWUGZZNLONQ-HXUWFJFHSA-N	406.490	3.576	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(CS(=O)(=O)NC(C)C)cc1	1116588609	IDGNEKJAIJICSS-APWZRJJASA-N	402.560	3.867	10	20	HHCD	
O=C(c1ccoc1)N1CCC(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	766238611	VOBJGFVROQLYSV-SFHVURJKSA-N	419.472	3.744	10	20	HHCD	
O=C(c1ccoc1)N1CCC(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	766238610	VOBJGFVROQLYSV-GOSISDBHSA-N	419.472	3.744	10	20	HHCD	
CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1cc2c(cc1O)OCO2	768182880	KAPVPSWWXVWBBN-UHFFFAOYSA-N	401.850	3.835	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2cc(Br)ccc2O)cc1	775565234	GMLYTIPMPNKZDD-ZIAGYGMSSA-N	412.349	3.976	10	20	HHCD	
C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	774541247	VZQBTDVXMJIXQW-FQEVSTJZSA-N	407.558	3.773	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1	773741434	ZCRSVEUZSXTNQP-HOTGVXAUSA-N	420.550	3.818	10	20	HHCD	
C[C@@H](NC(=O)N1CCc2c(cccc2N2CCOC2=O)C1)c1ccc(N(C)C)cc1	773619281	RXDVOZNAMRQVHP-MRXNPFEDSA-N	408.502	3.538	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1	773762692	NVGYPEVBAOVVMY-INIZCTEOSA-N	404.466	3.735	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnn(C3CCCC3)c2C)cc1F	773245256	WUMCTVFUIBLXTC-UHFFFAOYSA-N	415.513	3.547	10	20	HHCD	
COCC[C@@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(C)o1	778757767	KVZFHDNNAKBADE-HXUWFJFHSA-N	401.507	3.642	10	20	HHCD	
COCCn1ccc2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc21	771468025	XGPGVCUMIJNPJI-UHFFFAOYSA-N	422.529	3.788	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1	773742342	SYYHKTYBVMWBAF-LLVKDONJSA-N	406.269	3.951	10	20	HHCD	
CC(C)CN(Cc1ccccc1F)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788913249	WFLJHILUESURFT-UHFFFAOYSA-N	411.521	3.727	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C	785293207	DKKHTHVURGPDOX-CQSZACIVSA-N	410.514	3.743	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)nn1[C@H](C)C1CC1	784643222	IUOBLNRWNQVVGB-MRXNPFEDSA-N	422.485	3.629	10	20	HHCD	
O=C(CCc1ncc(-c2ccccc2Cl)o1)OCC(=O)c1ccc(O)c(O)c1	782653861	XYKBBDRTDIRJLJ-UHFFFAOYSA-N	401.802	3.765	10	20	HHCD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCOc2cc(N(C)C)ccc21	782318314	XVIQTOAUIAARIQ-UHFFFAOYSA-N	418.519	3.904	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)c1	797744310	OFAFSRXORKOIRH-LJQANCHMSA-N	400.475	3.591	10	20	HHCD	
CCOCCOc1ccc(Cl)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	797623695	ZAPBRTCZHCTBLU-CYBMUJFWSA-N	408.882	3.919	10	20	HHCD	
COc1ccc(CNC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1	794380364	BABQAEYIYCPOLA-NVXWUHKLSA-N	406.523	3.690	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c(O)c1	794377223	PFYDPMFFOHIVEF-JOCHJYFZSA-N	403.434	3.785	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H]1CC2(CCC2)C(=O)O1	792222339	VIZSHWBLQDSMTA-SFHVURJKSA-N	400.519	3.950	10	20	HHCD	
Cc1cc(-c2nnc(CCNS(=O)(=O)c3ccccc3)o2)c(C)n1-c1ccccc1	1322661516	XWSJPZMYNYDMDD-UHFFFAOYSA-N	422.510	3.665	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1	1325023237	LESZWQVGRHASIA-NZQKXSOJSA-N	410.581	3.578	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1	1342839664	JFELRWMHHKYWFQ-MRXNPFEDSA-N	402.970	3.503	10	20	HHCD	
CNC(=O)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1	5982231	VDWBYFOQPNYTKR-UHFFFAOYSA-N	414.918	3.800	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1	7166718	BWQDPYGZKCTTGK-PDGQHHTCSA-N	412.536	3.999	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1	15832829	HZWXYFWUMJJCTR-UHFFFAOYSA-N	424.551	3.569	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1	50554888	KUGPBGQGDBUVMZ-UHFFFAOYSA-N	400.544	3.741	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCc3nnc(-c4ccsc4)o3)CC2)cc1	110356195	FVQJDZXNKQXEDA-UHFFFAOYSA-N	412.515	3.525	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1F	116548126	GVGAGVSOBWQDJF-OAQYLSRUSA-N	423.454	3.963	10	20	HHCD	
CC(C)(C)c1cc(CNC2CCN(CCS(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1	236778179	HVZAPYSZWTWEOD-UHFFFAOYSA-N	424.651	3.586	10	20	HHCD	
Fc1cc(CNc2ncnc3ccc(Br)cc23)ccc1N1CCOCC1	261373894	LMEYVZCAKSZCTR-UHFFFAOYSA-N	417.282	3.980	10	20	HHCD	
CN(Cc1ccccc1O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1	302613379	FJRFKKHDRFAGLP-UHFFFAOYSA-N	405.426	3.503	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(-c2ccncc2)no1	728132543	RJVGRVWAJILQKU-HXUWFJFHSA-N	420.517	3.711	10	20	HHCD	
C[C@@H](NC(=O)NCc1nc(C(C)(C)C)cs1)c1ccc(N2CCOCC2)cc1	729498615	SUQRMGSMVPMZLW-OAHLLOKOSA-N	402.564	3.838	10	20	HHCD	
CCCC(=O)NC1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	731049799	PFDVVPVRRSAKNJ-UHFFFAOYSA-N	400.567	3.513	10	20	HHCD	
COC(=O)c1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)sc(C)c1C	731108427	QQLVDGWEUPOLNT-UHFFFAOYSA-N	417.531	3.652	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1Cl	731409090	KTCIHELRUVATLS-UHFFFAOYSA-N	421.900	3.979	10	20	HHCD	
Cc1cc(C(=O)N(C)CCCN2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1	731885512	RCTOVNMCLZEWSC-UHFFFAOYSA-N	410.606	3.927	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1nc2ccccc2s1	732918648	KAAPLKQHPXLIGE-HOTGVXAUSA-N	410.543	3.811	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	733797680	BPFURWRRSNBAAM-TZMCWYRMSA-N	417.465	3.745	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2sc(-c3cnn(C)c3)nc2C)cc1F	734437345	DKUWCGULVQAYKM-UHFFFAOYSA-N	401.511	3.767	10	20	HHCD	
COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c(Cl)c1Cl	742297797	CQWFSYNPFCBWOJ-UHFFFAOYSA-N	403.331	3.855	10	20	HHCD	
COC(=O)[C@@H](NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)c1ccccn1	742790319	GCXAFPPJXSGZPX-NRFANRHFSA-N	411.889	3.716	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H](c2ncc[nH]2)C1	745905103	XDRTZBCYMDGFES-HOTGVXAUSA-N	419.476	3.569	10	20	HHCD	
CC(C)(C)N1CCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745906188	YFOXTELVQQRXCO-KRWDZBQOSA-N	424.536	3.773	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)cc1	746837254	XOIPNVGYLBPYOK-SFHVURJKSA-N	415.481	3.754	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc3c(c2)CCCN3C)cc1	748536570	DWKLTGKWXWHKPR-GOSISDBHSA-N	415.603	3.950	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CC3(CCCC3)c3c(F)cccc32)cc1F	750362560	QWFHJNNQHIUWPK-UHFFFAOYSA-N	413.468	3.506	10	20	HHCD	
CC[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)Oc1cccc(F)c1	753343541	NRKUKXBYGOVAMO-LAUBAEHRSA-N	415.509	3.880	10	20	HHCD	
Cc1ccc([C@H](CN[C@@H](C)c2ccc(Br)cc2O)N2CCOCC2)o1	756363262	DMRDWYGLHRQNKU-YOEHRIQHSA-N	409.324	3.780	10	20	HHCD	
Cn1ccc([C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccc(Cl)cc2)n1	756424847	WNUFHIGDPBTLOL-QFIPXVFZSA-N	414.912	3.928	10	20	HHCD	
Cc1cc(CN[C@H](C)c2cc(Br)cc(Br)c2O)ncn1	756777570	ZWKHAPWBNZGJEL-SECBINFHSA-N	401.102	3.866	10	20	HHCD	
C[C@@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1(C)C	760132743	FTCIBIAXVOAKLZ-CYBMUJFWSA-N	408.545	3.763	10	20	HHCD	
CCOCCC1(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCCC1	760746725	VSMJWMLBFRVOIG-IBGZPJMESA-N	403.567	3.870	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc(OCC(F)F)cc3)CC2)cc(OC)c1OC	761218452	DKWQRFWXDNDBLE-UHFFFAOYSA-N	422.472	3.679	10	20	HHCD	
COc1ccc(N(C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1OC	761220491	DVTFNFOMCWOMCV-UHFFFAOYSA-N	409.486	3.902	10	20	HHCD	
Fc1cc(CNCc2cnc(C3CC3)s2)ccc1N1CCN(c2ncccn2)CC1	761960801	VUXQUFCZEDOUNW-UHFFFAOYSA-N	424.549	3.566	10	20	HHCD	
Cc1ccc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1[N+](=O)[O-]	762020270	CDPLAPIYBYHANE-GFCCVEGCSA-N	403.822	3.788	10	20	HHCD	
COc1cc2c(cc1CN[C@H](C)c1ccc(N3CCOCC3)c(F)c1)O[C@H](C)C2	764841388	PDVAYDFLOFJZLD-HZPDHXFCSA-N	400.494	3.845	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1F	765276292	FVKLYOFHSTYOEO-HXUWFJFHSA-N	413.493	3.672	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCO[C@@H](C2CC2)C1	765321029	KMCDWIWBWDPJPB-JTDSTZFVSA-N	409.477	3.514	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)/C=C\c3ccc4[nH]ccc4c3)CC2)cc1	765546766	FUDPYYIKPQMBFB-WMZJFQQLSA-N	418.541	3.518	10	20	HHCD	
COc1ccc(N2CCN(Cc3nc(-c4ccc(F)c(C)c4)no3)CC2)cc1F	766089564	BFBMFIYXUPRGPX-UHFFFAOYSA-N	400.429	3.654	10	20	HHCD	
Cc1cc(C(=O)COc2ccc(C)[n+]([O-])c2)c(C)n1-c1ccc(OC(F)F)cc1	768493846	ZVUWEDGZMHEQED-UHFFFAOYSA-N	402.397	3.899	10	20	HHCD	
COc1cc(Br)cc(CNc2cccc(-c3nnc(C)n3C)c2)c1O	772952192	IFISMVXOARNIFJ-UHFFFAOYSA-N	403.280	3.879	10	20	HHCD	
COc1ccc(CNCc2cccc(Br)c2O)c(Br)c1O	775152122	KIVAZBUDNFFSQQ-UHFFFAOYSA-N	417.097	3.921	10	20	HHCD	
O=C(NCc1ccc(OC(F)F)cn1)N(Cc1ccco1)Cc1ccccc1O	775215211	ZFRMJPFFBAWNLC-UHFFFAOYSA-N	403.385	3.894	10	20	HHCD	
CC[C@@H](NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccccc1O	775484598	GDICIQMQSNHSCI-WOJBJXKFSA-N	400.519	3.524	10	20	HHCD	
C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	775665968	PDTOVPQFMAOXBW-SIKLNZKXSA-N	407.558	3.664	10	20	HHCD	
COCCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	777211538	LXCSAPOHMVXXOJ-GOTSBHOMSA-N	414.546	3.768	10	20	HHCD	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	779023544	SZUAGLXJBIEZPW-OXJNMPFZSA-N	421.557	3.522	10	20	HHCD	
CN1CCN(c2ccc(CN3C[C@H](CCN4CCCC4=O)c4ccccc43)cc2)CC1	780779010	JRLBQTGOSIKJQT-QFIPXVFZSA-N	418.585	3.555	10	20	HHCD	
CO[C@@H]1Cc2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2C1	784106673	LYHUSDDMCYXSDR-JOCHJYFZSA-N	407.514	3.544	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1	786710434	GFYTUSWRDUDORJ-GOSISDBHSA-N	404.555	3.732	10	20	HHCD	
CCc1c(C(=O)N(CC)Cc2ccc(N(C)C)cc2)nnn1Cc1ccc(F)cc1	787249410	YVOVVTGTTGYJND-UHFFFAOYSA-N	409.509	3.756	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(O[C@H]2CCOC2)cc1	790948064	VWZLTEJMOANKPM-SFHVURJKSA-N	400.438	3.816	10	20	HHCD	
CCOC1(C)CCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	794639737	DBEDJFJHXKYDQQ-INIZCTEOSA-N	420.509	3.680	10	20	HHCD	
COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(Br)c1	795172322	FKNDCQJKLUWRHH-GFCCVEGCSA-N	413.337	3.563	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2ccccc2c(=O)o1	797731279	ADWGRZNPKNBCDN-HNNXBMFYSA-N	414.408	3.793	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]1c1cccc(Cl)c1	798057988	ZZXFPTJIOOSAHI-PKOBYXMFSA-N	403.885	3.671	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCc3cnn(C)c3C2)cc1	798962807	ZZRVFLMIPQLCST-IBGZPJMESA-N	418.541	3.833	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2Cl)C1	800718549	AUWNLXYUYJTLGQ-MGPUTAFESA-N	418.969	3.529	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	805119822	SAQIOYJFBPXDSB-ZDUSSCGKSA-N	418.321	3.898	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1Cl	806860653	UMQNQLMRFWBEMY-MGPUTAFESA-N	418.921	3.677	10	20	HHCD	
CSC[C@@H](C)C(=O)N1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	807836589	GSYGZVHTLQCAAU-LLVKDONJSA-N	419.374	3.553	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NCc1cc(Cl)cc(Cl)c1O	807837889	FEGXTBJIIXRHGJ-NSHDSACASA-N	413.248	3.864	10	20	HHCD	
CSCc1cccnc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	810318903	RJZCHEBTJQSWQY-UHFFFAOYSA-N	407.486	3.945	10	20	HHCD	
Cc1nn(C)c2cc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)ccc12	812984884	XWUBVGQWZVHMKC-UHFFFAOYSA-N	405.502	3.768	10	20	HHCD	
COc1cc(Br)cc(CNCCc2cc(C(F)(F)F)ccn2)c1O	815148821	LZTKUIKEQGJYIA-UHFFFAOYSA-N	405.214	3.909	10	20	HHCD	
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3cc(Cl)c(F)cc3O)cc21	816600372	VGZLYLGPIKXMFI-UHFFFAOYSA-N	418.900	3.978	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\c3ccccc3OC(F)(F)F)CC2)cc1	914748271	RQGDZVZUXIEJAC-WDZFZDKYSA-N	406.404	3.956	10	20	HHCD	
Cc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	915290968	FSKIJHVTLBLCOA-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1	1253676734	CPRKOIDEXHQGIH-UHFFFAOYSA-N	404.514	3.850	10	20	HHCD	
CS(=O)(=O)c1cc(CNCc2ccc(N3CCCC3)cc2)cc(C(F)(F)F)c1	1322315250	MVSYTWRWJTWZMS-UHFFFAOYSA-N	412.477	3.999	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1Oc1ccccc1	1325382598	WIGAWGWIBIZDGT-IBGZPJMESA-N	421.449	3.794	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)n3)CC2)cc1	1337319966	CIIDFMZZHAPPRJ-UHFFFAOYSA-N	408.477	3.681	10	20	HHCD	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1	28977715	RLIUQZRNNBJYJB-GZTJUZNOSA-N	416.480	3.753	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccccc2CN2CCSCC2)cc1F	61788801	IIIBUOHSSRHILV-UHFFFAOYSA-N	402.539	3.762	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)c2C)c1	107842127	UHDPBNVIPGOUOT-UHFFFAOYSA-N	416.437	3.904	10	20	HHCD	
CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1	486623017	CWVBYYGZZPVTQK-IBGZPJMESA-N	413.562	3.673	10	20	HHCD	
Oc1ccccc1CN(Cc1ccco1)C(=S)NCCc1ccc2c(c1)OCCO2	726745228	BEBXEVZDWDFBGN-UHFFFAOYSA-N	424.522	3.876	10	20	HHCD	
CCCn1c(CNCCCN2CCN(c3ccc(OC)cc3)CC2)nc2ccccc21	727644788	RMRVEAWDCKEEMS-UHFFFAOYSA-N	421.589	3.757	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(CCc3cccnc3)C1=O)O[C@H](C)C2	727864405	VKROEQDXPIWHDG-OTGIAGGSSA-N	412.536	3.858	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H]1CN1CCCC1	729611803	QFYRGWVVAKKRMG-IBGZPJMESA-N	422.520	3.527	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1C	731298433	HWYNCABUXJOXRN-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CCCNC(=O)c1cccc(CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)c1	731364577	SFWXNKGVWIOOEI-UHFFFAOYSA-N	414.525	3.811	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC(F)F	731857010	WEXIJAHVKZZZSU-MRXNPFEDSA-N	407.413	3.824	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)N1CCN(Cc2ccsc2)CC1	732204403	KLTZGBAWCWEOSB-UHFFFAOYSA-N	413.587	3.543	10	20	HHCD	
COc1ccc2[nH]cc(CCNCc3cc(Br)cc(OC)c3O)c2c1	733326666	SEVZCXDGBIZNEQ-UHFFFAOYSA-N	405.292	3.986	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1Cc1ccccc1	734702017	QBKUJOVSBBZXQF-UHFFFAOYSA-N	401.510	3.907	10	20	HHCD	
CSCC[C@@H](C)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	736061617	CDKSPSBWRZFZKT-GFCCVEGCSA-N	412.467	3.584	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl	741096722	DDSYNZQTGCRMPY-UHFFFAOYSA-N	413.905	3.758	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1	742202203	QVFXEXSLMVZDHM-UHFFFAOYSA-N	421.463	3.933	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)s1	742333946	AXTVSXHQEWTCTF-LLVKDONJSA-N	422.906	3.950	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](c2ccccc2F)N2CCOCC2)cc1	742497366	GUKQPBORNRDBAG-HSZRJFAPSA-N	413.537	3.704	10	20	HHCD	
O=C(NCc1ccnc(OCC(F)(F)F)c1)NCc1c(O)ccc2c1CCCC2	743535969	HLNXZOKZLKYDNZ-UHFFFAOYSA-N	409.408	3.607	10	20	HHCD	
Cc1ccc([C@H](NC(=O)c2cc(O)cs2)c2cccc(S(C)(=O)=O)c2)cc1	743753455	JQBRUZIXRMHOGD-IBGZPJMESA-N	401.509	3.685	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC1CCN(CC2CC2)CC1	745649673	DLVVAKCBLPFNMI-UHFFFAOYSA-N	410.356	3.561	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1	748441656	DTXFSIZCPSHDCW-UHFFFAOYSA-N	410.499	3.674	10	20	HHCD	
COC(=O)c1c(Br)ccc(NC(=O)N(C)Cc2ccccc2O)c1C	753228628	KUWFAYHFCUXPIO-UHFFFAOYSA-N	407.264	3.914	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1F	753920229	SPSWZYDMVLDHFA-RDTXWAMCSA-N	405.420	3.500	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)CC2)cc1F	753920566	XAXLPMZDFRBYCF-OXQOHEQNSA-N	407.530	3.507	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(-c2ncco2)c1	754484983	XYIBTFLMLXJHEN-UHFFFAOYSA-N	418.497	3.929	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc([C@H]2CCCO2)n1	755936976	QJIJZQFFSCOKOX-SUMWQHHRSA-N	423.485	3.995	10	20	HHCD	
COC(=O)CCSc1cccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	756482990	USQRVENGDOSCQZ-CYBMUJFWSA-N	404.488	3.939	10	20	HHCD	
C[C@@H](NCCNC(=O)c1c(F)cccc1F)c1cc(Br)cc(F)c1O	756707643	MCMBQERECDCNTA-SECBINFHSA-N	417.225	3.653	10	20	HHCD	
C[C@@H](NCCCN1C(=O)COc2ccccc21)c1ccc(Br)cc1O	756734425	WWTFDAJKWRASRY-CYBMUJFWSA-N	405.292	3.621	10	20	HHCD	
C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc2ccccc2c1O	756869414	VTOOHXOPIFLZOS-KRWDZBQOSA-N	405.498	3.989	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3csc(-c4ccc(C)n4C)n3)CC2)cc1	758969375	MFCSEQIAMPTTIF-UHFFFAOYSA-N	410.543	3.864	10	20	HHCD	
COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3sccc3OC)n2)c1	760304294	JEZLQAVSNZDXKX-UHFFFAOYSA-N	412.514	3.698	10	20	HHCD	
CC(C)CC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	761640582	FQDVDCKQCFSQMN-RBBKRZOGSA-N	414.594	3.889	10	20	HHCD	
O=C(NCc1ccc(OC(F)F)cc1)NCc1cccc(Br)c1O	765453131	INBJLTPWMFUDAQ-UHFFFAOYSA-N	401.207	3.756	10	20	HHCD	
CCCNc1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	765464464	HQPYSQMONPZPAD-UHFFFAOYSA-N	410.562	3.717	10	20	HHCD	
C[C@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1	765602308	MSNMMBSXINUIRB-ZWKOTPCHSA-N	421.557	3.960	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1O	765732154	QFKUPDFTJKUIRH-FZMZJTMJSA-N	415.328	3.710	10	20	HHCD	
Cc1cc(Br)cc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1	766510974	TVODBRCZXNZCJQ-UHFFFAOYSA-N	416.319	3.712	10	20	HHCD	
O=S1(=O)CCC(CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)CC1	767426354	PFVNZIQUTODDDM-QPJJXVBHSA-N	413.539	3.802	10	20	HHCD	
Cc1cc(CC(=O)N2CCCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	768120427	KPFORGGSVSAVRC-FQEVSTJZSA-N	422.978	3.716	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(-c3cc4ccccc4o3)o2)cc1	768400595	PQQVJYWWJHTVAY-UHFFFAOYSA-N	408.483	3.957	10	20	HHCD	
CCN(CC)c1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1F	769877762	QJTHZQHOZHQWJX-UHFFFAOYSA-N	401.485	3.657	10	20	HHCD	
CN(Cc1cccc(Br)c1O)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21	770383090	BSCBJZIVXUHMNF-AWEZNQCLSA-N	416.724	3.769	10	20	HHCD	
C[C@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1cc(Cl)c(Cl)cc1O	774115323	JTNMKWKEBVPDDA-LBPRGKRZSA-N	414.333	3.994	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)nc1-c1ccc(F)cc1	775144507	ZGHCFYPVIXBJNV-UHFFFAOYSA-N	420.413	3.817	10	20	HHCD	
Oc1c(F)cc(Cl)cc1CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1	775663518	DHPKJBMNUSYOHT-UHFFFAOYSA-N	409.292	3.804	10	20	HHCD	
COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(F)c1	776306594	MHYTWKHNXZIMKX-UHFFFAOYSA-N	403.365	3.640	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(c4nnc(C(F)(F)F)s4)CC3)c2c1	776776890	IDCNGDRWDBKNBK-UHFFFAOYSA-N	424.448	3.747	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(c2ccc(F)cc2F)CCC1	777405330	IODSHZTXJMYLRM-UHFFFAOYSA-N	418.459	3.803	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](O)[C@H](C)C2)c(C)n1-c1ccc(Br)cc1	778258460	KDTVLQPAFMXROO-YJYMSZOUSA-N	405.336	3.742	10	20	HHCD	
COc1ccc(OC)c([C@H](O)CN[C@@H](C)c2cc(Br)cc(C)c2O)c1	779003382	OSTRHQXXCPJTQI-YVEFUNNKSA-N	410.308	3.865	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NS(=O)(=O)Cc2ccc(Cl)nc2)c1C	779199355	CDOAICNAIKGAHH-UHFFFAOYSA-N	417.918	3.711	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@]23CCOC3=O)c(C)n1-c1cccc(Br)c1	779253432	HMXYAKMXJCPTPJ-FQEVSTJZSA-N	417.303	3.778	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCN(c2ccc(Br)cc2)C1	779499773	OICHRZVNCVQNAO-SDHLOXDLSA-N	417.303	3.516	10	20	HHCD	
C[C@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	781943077	LMUUPPRLVDMMLT-SFHVURJKSA-N	409.534	3.818	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(SC)c(F)c2)cc1	784665911	LXBDPESMLZUVGB-UHFFFAOYSA-N	407.486	3.788	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cccc(Br)n3)CC2)cc1	786146651	RTPVHZDDVJCXDD-UHFFFAOYSA-N	405.296	3.597	10	20	HHCD	
COC(=O)c1cccc(NC(=O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)n1	787274158	FHHDFZSNTVZPMC-QGZVFWFLSA-N	419.481	3.776	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H](c1ccccc1)C1CCCC1	788913700	YKFYCKARLOSONO-QHCPKHFHSA-N	405.542	3.951	10	20	HHCD	
Cc1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(C)n1-c1ccccn1	792578639	QESDWWJSYZXGSJ-SZPZYZBQSA-N	400.526	3.693	10	20	HHCD	
C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCO2	794357123	NAKZHKICZYIXOR-ZBFHGGJFSA-N	418.440	3.905	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2CCc3sccc3C2)nc1	797614349	YSGRNNGHZQZPQV-AWEZNQCLSA-N	424.526	3.870	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccnc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1	808281289	CRGIKIWZNLUTFZ-CHWSQXEVSA-N	411.399	3.783	10	20	HHCD	
COCCn1c(-c2ccccc2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812152874	ZBRSRCOVOOZPMV-UHFFFAOYSA-N	421.545	3.625	10	20	HHCD	
C[C@H](NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)c1ccc(N(C)C)cc1	813722426	SHPIFVNNUFECGA-KPZWWZAWSA-N	424.314	3.748	10	20	HHCD	
C[C@H](NCc1cc2ccccc2n(C)c1=O)c1cc(Br)c(F)cc1O	813883289	SELBUFTVSCVQNS-NSHDSACASA-N	405.267	3.997	10	20	HHCD	
O=C([C@@H]1CCCN(c2ccccc2)C1=O)N(Cc1ccco1)Cc1ccccc1O	815796636	FORJWBOCFPDNPX-NRFANRHFSA-N	404.466	3.957	10	20	HHCD	
O=C(CCCNC(=O)NC1CCCCC1)Nc1c(-c2ccccn2)nc2ccccn12	820006135	KCWVVYWMNXLYKB-UHFFFAOYSA-N	420.517	3.747	10	20	HHCD	
CC(C)n1ncc2cc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(Cl)nc21	873888114	DRTBDOFFAIOUNH-GHXNOFRVSA-N	424.935	3.732	10	20	HHCD	
Cc1ccc(N(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C	917073535	XIOITZWFAUCXQM-RTBURBONSA-N	413.537	3.809	10	20	HHCD	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1	918198908	JTQFUBNDFGFZLM-BOPFTXTBSA-N	417.533	3.699	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C(F)(F)c3ccc(F)cc3)cc2F)C[C@@H](C)O1	920844314	UISJEIBAZPAGOO-ZIAGYGMSSA-N	410.411	3.987	10	20	HHCD	
COc1nc(Cl)c(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)n1C	1116007861	IXVZHPNIVONZAJ-LCYFTJDESA-N	408.936	3.554	10	20	HHCD	
CCCNC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	1120822965	ULGQORCKMRJSHQ-CYBMUJFWSA-N	406.324	3.501	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC1CCN(S(=O)(=O)c2ccccc2)CC1	1320132567	YYNNJNMFEGNIPO-XLIONFOSSA-N	414.571	3.939	10	20	HHCD	
CCOc1ccc(N2CCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2)cc1	1324598594	DLUKNCOPNDOCDB-UHFFFAOYSA-N	401.514	3.753	10	20	HHCD	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NCc1ccc(N2CCSCC2)cc1	1326477291	PWKYMOBMURXQSF-UHFFFAOYSA-N	401.580	3.602	10	20	HHCD	
COc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC(F)F	109180934	FYWFDYAYHFAPJK-CQSZACIVSA-N	406.429	3.624	10	20	HHCD	
CCc1nc2cc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2o1	195565211	OXXDVQPHAAOURF-UHFFFAOYSA-N	408.502	3.921	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCOc4c(C(=O)OC)cccc43)ccc21	535132719	GBHFXMVKNFNJDP-UHFFFAOYSA-N	422.481	3.730	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](SC)[C@H](N4CCCC4)C3)ccc21	542769331	RFHBXMMYBYGNGP-FGZHOGPDSA-N	415.603	3.556	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)n(C)c2ccccc12	552195727	YZCIYIBJMKCZJS-UHFFFAOYSA-N	418.324	3.769	10	20	HHCD	
O=S(=O)(CC1CCCCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	725824171	MQCDDZVQANEWNW-UHFFFAOYSA-N	420.497	3.542	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCOc2ccccc21	728178181	CPOXEGAYDACMQW-GOSISDBHSA-N	420.431	3.725	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc3ncccc3c2)c1	728834494	YTYWQSUKLGXNOB-UHFFFAOYSA-N	410.477	3.979	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(OC)c(Br)c2)c1	728955260	NFVONNPFJWUNGM-LLVKDONJSA-N	409.280	3.732	10	20	HHCD	
CC1(c2ccccc2)CC(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	730029377	JCHCEJFNNTVIFV-UHFFFAOYSA-N	407.558	3.815	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)c(F)c3F)cc2)CC1	731131904	UYCGVFBOWUSGPB-UHFFFAOYSA-N	405.420	3.595	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)Cc2scnc2C)c([N+](=O)[O-])c1Br	731209506	ZCFMOWIPMRDCAM-UHFFFAOYSA-N	417.241	3.675	10	20	HHCD	
O=C(CCCN1CCN(c2ccccc2)CC1)NCc1ccc(N2CCCCC2)cc1	732278747	UXMFJWLWRVRIMD-UHFFFAOYSA-N	420.601	3.896	10	20	HHCD	
COc1ccc(CN2CC[C@@H](NC(=O)c3sccc3-n3c(C)ccc3C)C2=O)cc1	734467400	YJMYERPMODSCJS-LJQANCHMSA-N	423.538	3.695	10	20	HHCD	
CN(C)c1nc2sc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2s1	735519691	SBOOLKLEIKEJTB-CQSZACIVSA-N	417.556	3.951	10	20	HHCD	
Cc1cc(C(=O)OCc2cc(=O)c(O)co2)c(C)n1-c1ccccc1Br	736795548	YADBESVYYJXKSO-UHFFFAOYSA-N	418.243	3.872	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2)CC1	739598654	IMEDIPBVOQRUFT-UHFFFAOYSA-N	406.446	3.664	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COc2cccc(C(=O)NC[C@H](C)O)c2)c1C	740872215	IXJQSKHRLHGPJV-SFHVURJKSA-N	420.509	3.775	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cccc(N2CCCCCC2)c1	741136344	RTNMUGBATRCMRD-UHFFFAOYSA-N	402.516	3.963	10	20	HHCD	
O=C(NC1CC1)[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743485508	PKIYFHQWDKFHQU-RXVVDRJESA-N	415.484	3.866	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCNc3cc(Cl)ccc3OC)CC2)cc1	743869035	KJPLXOHMKADSIS-UHFFFAOYSA-N	417.937	3.898	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)c3cnn(C)c3)c2C)cc1	750557150	JBGXSYPHTRAVSP-MRXNPFEDSA-N	409.486	3.756	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1OC	751356825	WFQNGZLYZLLUKJ-UHFFFAOYSA-N	409.479	3.682	10	20	HHCD	
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)c1C	751930892	JKQURKJOSVLKJM-UHFFFAOYSA-N	411.483	3.503	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	753644331	KRIYKQJJXXQBRY-NPMXOYFQSA-N	417.461	3.913	10	20	HHCD	
C[C@@H](NCc1cccc(OCC(N)=O)c1)c1cc(Br)cc(Cl)c1O	756607352	CTLDMIWVGCFAPD-SNVBAGLBSA-N	413.699	3.523	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1O	756785545	VVWYJBOSLZPITO-RDTXWAMCSA-N	403.320	3.997	10	20	HHCD	
C[C@@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1ccc(Br)cc1O	756890307	BMUPPOGOAGGHFB-LLVKDONJSA-N	404.264	3.726	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCc3c(Br)ccc(F)c3C2)cc1	758318036	QWJLEKWEDZJFRI-UHFFFAOYSA-N	406.299	3.922	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C/c3ccc(Cl)s3)CC2)cc(OC)c1OC	759242028	LLACMKYSJMGCGO-FNORWQNLSA-N	422.934	3.789	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)NCCCSc2nccs2)C1	759573616	NABASOQXEQXFFH-AWEZNQCLSA-N	414.597	3.572	10	20	HHCD	
CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cc21	760305843	VBJSEBONKOTHMW-UHFFFAOYSA-N	405.526	3.902	10	20	HHCD	
NC(=O)[C@@H](Cc1ccc(Cl)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	760580647	SCLXNDXRLYOAAE-QFBILLFUSA-N	423.891	3.596	10	20	HHCD	
CCc1ccc([C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)N(C)C)cc1	760948361	HJXJLMIUXZGCNJ-LJQANCHMSA-N	415.921	3.675	10	20	HHCD	
COc1ccc([C@H](CO)N(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	764402278	SAQOCRQFDGQHHS-QHCPKHFHSA-N	411.546	3.807	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c(SC)cc1OC	764417137	MBOQQRPGHUXKRF-VIZOYTHASA-N	408.526	3.815	10	20	HHCD	
CC(C)(C)c1nc(CCNC(=O)NCc2cccc(Br)c2O)cs1	764799235	IYTWLJHEGQDFJX-UHFFFAOYSA-N	412.353	3.951	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)NCc1ccccc1	765390122	AIKYTKDAAMTGAT-SJORKVTESA-N	401.938	3.532	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1CCCN(C2CCC2)C1	765534942	FSLCLBZKCJRAGL-ZFWWWQNUSA-N	410.356	3.607	10	20	HHCD	
COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	765838461	IXBHNIRIDOHFOP-OAHLLOKOSA-N	402.800	3.971	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cn3cc(-c4ccccc4)c(C)n3)CC2)cc1	766432563	MOCOJCCGMAXPOG-UHFFFAOYSA-N	404.514	3.606	10	20	HHCD	
CCc1nc(-c2ccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)cc2)n[nH]1	767933890	PEYSFNTUKMOJRY-UHFFFAOYSA-N	418.545	3.817	10	20	HHCD	
COc1cc(O)c(CN2CCO[C@H](c3ccc(Br)cc3)C2)cc1OC	768441603	DXNMLTMRWTVJBM-IBGZPJMESA-N	408.292	3.745	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC2)cc1	769165417	AIVFHVUMTGDUEF-LJQANCHMSA-N	419.566	3.720	10	20	HHCD	
O=C(C[C@@H](O)c1cccc(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	772720790	UBEGPVPHNWTDOB-VQIMIIECSA-N	408.420	3.636	10	20	HHCD	
Nc1c(Cl)ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1Cl	773980909	ZONARSUGLSWINT-UHFFFAOYSA-N	408.329	3.714	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(COc3ccccc3)cc2)c1	774213526	NXJBXKUUSNLNQK-MRXNPFEDSA-N	420.465	3.796	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1O	774927142	LMGXMNDRJSEAOK-BETUJISGSA-N	405.426	3.674	10	20	HHCD	
C[C@H](CCc1ccco1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	775219913	MSUWMTVELFBCFV-GOSISDBHSA-N	423.513	3.605	10	20	HHCD	
CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1	778662071	WCNQXZVVHCBRAK-UHFFFAOYSA-N	412.489	3.988	10	20	HHCD	
Cn1cc([C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)c2cccc(F)c2)cn1	779022790	GQLHSZQXFCUWCC-DEOSSOPVSA-N	408.521	3.647	10	20	HHCD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	779023545	SZUAGLXJBIEZPW-OXQOHEQNSA-N	421.557	3.522	10	20	HHCD	
CC1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN(C(=O)OC(C)(C)C)CC1	779592331	YUUPDQYCRDBLLC-UHFFFAOYSA-N	414.550	3.652	10	20	HHCD	
C[C@H](NCC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)c(F)c1	783297313	DSQRLHZOKAKBTA-HNNXBMFYSA-N	403.464	3.587	10	20	HHCD	
Cc1ccc(Br)cc1CNC(=O)NCc1ccc(N2CCOCC2)cc1	784074998	KVVGPSFPHCETJI-UHFFFAOYSA-N	418.335	3.594	10	20	HHCD	
O=C(c1nn(-c2cccc(F)c2)cc1O)N(Cc1ccco1)Cc1ccccc1O	786330406	KQFNBYHNRYRWKM-UHFFFAOYSA-N	407.401	3.858	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2ccc(N3CCSCC3)cc2)c1	788089000	GSUVRVIOOAFJKC-FPOVZHCZSA-N	412.555	3.677	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc(CN(C)C)cc3)n2)s1	789726394	GOHSFCFKYNBXPB-UHFFFAOYSA-N	408.574	3.746	10	20	HHCD	
Cn1cc(-c2csc(NS(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)n2)cn1	790474994	KWVCEOUYSZYJJS-UHFFFAOYSA-N	406.386	3.502	10	20	HHCD	
CC(C)(C)OC(=O)CCc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1	791911484	XASJKDFOONAXMZ-UHFFFAOYSA-N	400.475	3.736	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1	793515622	QELYRMJJTUVTEA-UHFFFAOYSA-N	418.563	3.515	10	20	HHCD	
COc1ccc(CNC(=O)c2cnn(-c3cccc(Br)c3)c2C)c(O)c1	794378683	BNLJXGAKNNRNOB-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](CCO)c1ccc(Cl)cc1	806439877	GWBVYGLYQIIXAA-HXUWFJFHSA-N	419.978	3.816	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(Cc4ccccc4)[C@H]3C)CC2)cc1	806683191	BGDKZQUMLBFJKF-YADARESESA-N	422.573	3.626	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccco1)Cc1cccs1	807289402	TYTYMNYGORIHJX-UHFFFAOYSA-N	421.522	3.563	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(-c2cccnc2)c1	807685461	PJAXCXFZAMESBE-UHFFFAOYSA-N	403.482	3.509	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1O	808677276	SVRFWGDHGFPPCL-MRXNPFEDSA-N	401.938	3.592	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCCCC2=O)cc1	810179671	DNUNMYHMAMKCFI-HXUWFJFHSA-N	406.574	3.806	10	20	HHCD	
Cc1cc(-c2nnc(N3CCSCC3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1	812381132	OWJZDBMLWMYYLJ-LJQANCHMSA-N	423.586	3.942	10	20	HHCD	
CCOCc1nc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1	857472607	MMYBATZNQMHZDG-MRXNPFEDSA-N	423.966	3.741	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(C)n1-c1ccccn1	914847294	DRVLCWJQCQPGQJ-UHFFFAOYSA-N	422.916	3.741	10	20	HHCD	
CC(=O)Nc1cccc(NC(=S)NCc2ccc(N3CCSCC3)cc2)c1	916027870	PWFVTEBFJJJSFF-UHFFFAOYSA-N	400.573	3.685	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)sc2C)cc1	917850972	SYAIGNUNHRGFQU-UHFFFAOYSA-N	415.540	3.930	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)c(C)n1-c1ccc(Cl)cc1	918049075	BOPVFDHGBABBAM-UHFFFAOYSA-N	422.916	3.741	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3cccc(F)c3)cc2)C1	918123504	XWGMKOADFJHWNT-DENIHFKCSA-N	424.520	3.574	10	20	HHCD	
CC(=O)NCc1ccc(C(=O)COC(=O)c2sccc2-n2c(C)ccc2C)cc1	919566232	PGIRAXRKHPZKRM-UHFFFAOYSA-N	410.495	3.831	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)c3c([N+](=O)[O-])c(C)nn3C)c2C)c1	920659552	AJQHBSJHMYMAHP-UHFFFAOYSA-N	424.457	3.701	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c1	1328597626	IGTZEVZBANCFSX-INIZCTEOSA-N	408.951	3.644	10	20	HHCD	
C[C@H](OC(=O)Cc1ccsc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21458206	JJISGVYWAVKEKC-ZDUSSCGKSA-N	419.458	3.636	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccccc1Oc1cccnc1	109710909	SJUJJKSXQJFMJI-UHFFFAOYSA-N	419.481	3.755	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C/c2cnn(Cc3ccccc3Cl)c2)SC1=S	207196211	PJMGECLPHYNKTB-NVNXTCNLSA-N	421.931	3.651	10	20	HHCD	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1c(C)c2ccccc2n1C	467937819	KPESNZLVORKDFW-UHFFFAOYSA-N	408.502	3.909	10	20	HHCD	
COCCNC(=O)c1cccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1	579018153	OTSJMGKFWAHTLV-UHFFFAOYSA-N	423.513	3.533	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)NCc2ccc(Cl)cc2)cc1	727367188	ZJDIEIVQDZHEBR-UHFFFAOYSA-N	416.953	3.644	10	20	HHCD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	729064017	NOCZEZZBYDDOPZ-LBPRGKRZSA-N	406.866	3.659	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1	731345913	LKWRYBFMCZWZDS-YCZZBHQNSA-N	407.555	3.546	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)cc1	732235253	QFKMNXOLCWXDKK-INIZCTEOSA-N	417.351	3.593	10	20	HHCD	
COC(=O)CCc1nc(COC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)no1	733456945	RBMZYJLFAWJYQD-UHFFFAOYSA-N	417.849	3.593	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1	734017603	QANSOZBTZLSEJQ-DEOSSOPVSA-N	420.509	3.554	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)CCC[C@@H]3C)cc2F)C[C@H](C)O1	741796204	XASGQCTZKJUXCK-XWSJACJDSA-N	405.558	3.566	10	20	HHCD	
Cc1cccn2cc(CC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nc12	742800023	FFKCADARZGIRHW-INIZCTEOSA-N	414.456	3.572	10	20	HHCD	
COc1ccc(Cl)c(NC(=S)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	742988629	UYPRAAHZZZOOAL-UHFFFAOYSA-N	423.941	3.935	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1F	743665324	JUJCIVGBONJLBN-WMZOPIPTSA-N	422.545	3.774	10	20	HHCD	
CCOc1ccccc1[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)NC(C)=O	743717836	SCEWQIXEFLYJEN-NRFANRHFSA-N	410.514	3.553	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(CO)o2)c(C)n1-c1ccc(OC(F)F)cc1	745383859	RJIIQHISBFOEPN-UHFFFAOYSA-N	419.380	3.821	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1O	745923693	RTYDDNSSMIAKSK-NSHDSACASA-N	402.838	3.665	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc(F)c(F)cc2F)c1	746888211	OZSLALWEUJUXCS-UHFFFAOYSA-N	413.399	3.848	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(CCOC(C)C)CC2)cc1	747591335	QZCVTKOIYDSTEH-UHFFFAOYSA-N	404.599	3.564	10	20	HHCD	
CC1(O)CCC(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1	749446570	IYCNLOIYACZXMJ-QINSGFPZSA-N	424.613	3.539	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C	750447666	XPHUGNMYABBUBR-QGZVFWFLSA-N	406.571	3.833	10	20	HHCD	
CC(C)c1ccccc1OCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	751644512	FQVVSQJKSKTUII-UHFFFAOYSA-N	400.494	3.871	10	20	HHCD	
CCOC(=O)c1cc(C)sc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1	752714612	LYWBMQBQUFQGQF-UHFFFAOYSA-N	403.504	3.596	10	20	HHCD	
C[C@@H](NC(=O)N(CCc1ccccc1)[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1	752914997	LLESFAPIGSPSQR-HYBUGGRVSA-N	423.557	3.627	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1	753829274	PNEBPTMJYDQSRD-OAHLLOKOSA-N	422.485	3.526	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(-c4n[nH]c(C)n4)ccc3C)CC2)cc1	755827588	DFBKDIAVXDWKKC-UHFFFAOYSA-N	420.517	3.888	10	20	HHCD	
C[C@H]1CCN(CCN[C@H](C)c2cc(Br)cc(Br)c2O)C1	756630335	URMGQJFBXNAJLH-WDEREUQCSA-N	406.162	3.910	10	20	HHCD	
CCn1c(-c2ccc(N3CCOCC3)cc2)nc2cc(S(=O)(=O)C(F)F)ccc21	758470418	GBENYJQASJOMAM-UHFFFAOYSA-N	421.469	3.556	10	20	HHCD	
O=C(c1ccc(-c2nnc(S)o2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	758818426	WFOYLJVBGZQPNL-KRWDZBQOSA-N	411.483	3.552	10	20	HHCD	
CC(C)Oc1ccc(N(C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1	759913524	FEZYMVRXYDCEQK-UHFFFAOYSA-N	401.532	3.588	10	20	HHCD	
O=C(Nc1ccn(-c2ncccc2F)n1)N(Cc1ccco1)Cc1ccccc1O	760078683	FTTZOKBXJOQTBR-UHFFFAOYSA-N	407.405	3.939	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnc([C@H]2CCCO2)s1	760386817	NSASNWCGRYSRRT-MRXNPFEDSA-N	423.485	3.995	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)c1	761878746	QWRWNFXTCVTKTO-UHFFFAOYSA-N	424.438	3.668	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1	763280357	RURLNIMNABBPNG-AWEZNQCLSA-N	400.475	3.735	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3cccc(NC(C)=O)c3)CC2)cc1	764676177	OKAUBSJGLMKPRA-LJQANCHMSA-N	410.562	3.517	10	20	HHCD	
O=C1/C(=C\c2cc(Br)cc3c2OCC3)SC(=S)N1Cc1ccon1	764886146	NKHKPZPYLLTDMW-NTUHNPAUSA-N	423.313	3.773	10	20	HHCD	
O=[N+]([O-])c1ccc(N2CCC(NCc3ccc(N4CCSCC4)cc3)CC2)cc1	765090751	XAWXZGNKHGOWIN-UHFFFAOYSA-N	412.559	3.907	10	20	HHCD	
Cc1noc(C2CN(C(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)C2)n1	765655486	KMVQFNJPFNCPBE-UHFFFAOYSA-N	415.291	3.788	10	20	HHCD	
COCOc1ccc(OC)cc1CN[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	766469841	NABGBVYYKXMGAL-LJQANCHMSA-N	420.937	3.791	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(-n2cccn2)c1	768912090	MMSYUVGJWUXUMQ-IBGZPJMESA-N	410.905	3.626	10	20	HHCD	
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	769202431	RVVUNAYJDSLLPR-MRXNPFEDSA-N	408.271	3.690	10	20	HHCD	
COc1cc(Br)cc(CN(CCc2ccccc2)[C@H]2CCOC2)c1O	770306932	ZAOMZCNOPKXWDL-SFHVURJKSA-N	406.320	3.997	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H](C[C@H]2CCOC2)C1	773505034	KNZOTFWFMLZDTM-VQTJNVASSA-N	403.592	3.588	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	774363275	SPJPJVJRVLYLRH-UHFFFAOYSA-N	404.426	3.811	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	775258613	GMHPHTMRCZEUOZ-HNNXBMFYSA-N	407.436	3.831	10	20	HHCD	
C[C@H](NC(=O)c1cc2ccccc2cc1NS(C)(=O)=O)c1ccc(N(C)C)cc1	775411053	NWUKQFFCBVRZNT-HNNXBMFYSA-N	411.527	3.768	10	20	HHCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	775665697	JUBOISVSKAPIGX-QGZVFWFLSA-N	418.944	3.614	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCNCc2cc(Cl)cc(F)c2O)s1	776174996	UPDSGJIXLGJVEY-UHFFFAOYSA-N	420.959	3.609	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(C(=O)OC)CCC1	779343578	YNNQGZHLDBXGJQ-GOSISDBHSA-N	414.468	3.754	10	20	HHCD	
O=C(Nc1ccc(O)c(Cl)c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	780991534	BFFHGYDDGOVQEN-UHFFFAOYSA-N	424.887	3.866	10	20	HHCD	
CCN(C(=O)c1cc(NS(=O)(=O)c2cccc3nonc23)ccc1Cl)C(C)C	782525308	AUEKUJAZXPJZMN-UHFFFAOYSA-N	422.894	3.548	10	20	HHCD	
Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785086058	VFRXEQISLHBZBD-SFHVURJKSA-N	403.446	3.533	10	20	HHCD	
O=C(OCc1ccc(Cl)cn1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785408073	PNWVEKKXWWEFRQ-UHFFFAOYSA-N	424.887	3.660	10	20	HHCD	
COC(=O)c1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)cc1C	788314873	GXOASFMCMAAPTM-UHFFFAOYSA-N	411.502	3.591	10	20	HHCD	
COC(=O)c1sc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c(C)c1Cl	788489258	KDLCPBNWDODARV-UHFFFAOYSA-N	419.908	3.790	10	20	HHCD	
COCCC1(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCC1	794165478	UABHZSVSNCAFQL-FYWRMAATSA-N	424.613	3.805	10	20	HHCD	
COc1ccc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)c1OC	796700326	DQUCKSZPIVJYSO-MJGOQNOKSA-N	411.546	3.565	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CC[C@@H]1NC(=O)N(c2cccc(C)c2)C1=O	801545455	AGYGAVPNIDIJLB-FQEVSTJZSA-N	423.513	3.735	10	20	HHCD	
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(N3CCOCC3)cc2)C1=O	804145233	AYWLZQMGDROPQI-JOCHJYFZSA-N	413.905	3.534	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1cccc(COC(C)(C)C)c1)c1ccc(N(C)C)cc1	804244454	COSRKHIHJVCNKK-KRWDZBQOSA-N	411.546	3.561	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1	806432648	OROPYKTVSLXGEZ-PZJWPPBQSA-N	411.571	3.997	10	20	HHCD	
COCCNC(=O)c1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	806629160	REBPOJCGKVFOKA-UHFFFAOYSA-N	423.469	3.596	10	20	HHCD	
COc1ccc(N2CCC(NCc3cn4ccc(Br)cc4n3)CC2)cc1	810141748	JLTLQISYFDPDMH-UHFFFAOYSA-N	415.335	3.864	10	20	HHCD	
COc1ccccc1-c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1	812433736	LKCRBFKZTFVSSE-SFHVURJKSA-N	408.502	3.865	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccc(N2CCOCC2)cc1	812494143	HBPLVXGKHVJBAF-LBPRGKRZSA-N	420.478	3.643	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](O)c1ccc(Cl)cc1	813464946	IZGFUQSQYMZLQZ-YJBOKZPZSA-N	410.848	3.760	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)c(C)c1	906470860	IKAYNZMRYDQFOZ-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCNC(=O)c2ccc(Cl)cc2)C2CC2)cc1	918065305	WTDJINQTSGUQQO-UHFFFAOYSA-N	414.937	3.510	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1	920921335	BTIBSZYJWOANAZ-GBXCKJPGSA-N	423.557	3.975	10	20	HHCD	
Cc1c(C(=O)Nc2c(Cl)ccc3nonc23)nnn1-c1ccc2ncccc2c1	1342949186	AAWCJXBKLROJII-UHFFFAOYSA-N	405.805	3.566	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1-c1cc(Cl)cc(Cl)c1	10072700	RVHMAFQVMXXYIW-UHFFFAOYSA-N	419.268	3.813	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccccc3C(=O)c3cccs3)CC2)cc1	69834918	LLQJCGLCIOKIRB-UHFFFAOYSA-N	406.507	3.950	10	20	HHCD	
COc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc(OC)c1Br	437008136	NLKJHTWMLCBNTB-UHFFFAOYSA-N	421.291	3.572	10	20	HHCD	
CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCOc2cc(N(C)C)ccc21	437011328	VIUWQHZOGOYREL-UHFFFAOYSA-N	406.486	3.766	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)n(C)c2ccccc12	472222614	RCCNMCSJGYKOSD-HDICACEKSA-N	412.578	3.518	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)n(C)c2ccccc12	575017318	TZCOJUFISIAMSB-VQTJNVASSA-N	403.526	3.631	10	20	HHCD	
CCOc1ncccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726609101	KNABAIHXQTZPEX-UHFFFAOYSA-N	406.433	3.872	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1F	731363832	MLNCHHPKPIKNKI-UHFFFAOYSA-N	406.546	3.508	10	20	HHCD	
COc1ccc([C@@H]2[C@H](C(=O)NCc3ccc(N4CCCC4)cc3)CCC(=O)N2C)cc1	734422373	UQYDQMBLZFNWLI-ISKFKSNPSA-N	421.541	3.521	10	20	HHCD	
CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1	734942253	MGWZDTDFQRBFDL-WOJBJXKFSA-N	414.594	3.746	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc4nc(S)oc4c3)cc2F)C[C@H](C)O1	735853916	MTCKPWWNWGVNMD-STQMWFEESA-N	415.490	3.799	10	20	HHCD	
CC1(C)Cc2cccc(/C=C3/SC(=S)N(c4ccc(C(N)=O)cc4)C3=O)c2O1	738554964	RDPVQCOYYYJYMI-MHWRWJLKSA-N	410.520	3.905	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O	744349260	DSWXRFHOJNFTQU-WWYBLAPGSA-N	418.453	3.591	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)N1CCCC[C@H]1C	745494274	QPICRTORQLHCKV-CABCVRRESA-N	412.372	3.949	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	745827902	OOGHTJUTTKRTGZ-UHFFFAOYSA-N	412.490	3.722	10	20	HHCD	
CC(C)(C)NC(=O)CN1CCC(CNCc2cc(-c3ccccc3)ccc2O)CC1	751148292	RBUDHBGUQIPKHO-UHFFFAOYSA-N	409.574	3.776	10	20	HHCD	
Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	752007911	QXMDAYZVMMTUQH-SJORKVTESA-N	412.490	3.861	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1	752760876	YRWWGBSZMSKYIG-DEOSSOPVSA-N	420.557	3.720	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C3CC3)[C@@H](C)c3ccco3)cc2F)CC1	754918875	MWYDPKLECYSTAM-KRWDZBQOSA-N	414.525	3.996	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1	755174979	QEOHDDQHFTWNIS-KRWDZBQOSA-N	420.550	3.739	10	20	HHCD	
C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cc(Br)c(F)cc1O	756455740	KOYUKEXEIYPZCT-LBPRGKRZSA-N	416.312	3.559	10	20	HHCD	
CCC[C@@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)C(=O)N1CCc2sccc2C1	756536104	PNAYYLWIPYYWPR-KBXCAEBGSA-N	416.543	3.645	10	20	HHCD	
C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(Br)cc1O	756592075	ILZZHYNAJKBXQV-VPWXQRGCSA-N	419.363	3.688	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)c(C)n1Cc1ccco1	759596371	VAPZQWZOJXLFBZ-GQSKFBFOSA-N	409.438	3.985	10	20	HHCD	
COC(=O)c1cc(CN(Cc2ccco2)Cc2ccccc2O)cc(C(=O)OC)c1	766920413	VRMCFBTVNVVVEH-UHFFFAOYSA-N	409.438	3.761	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cncc(Br)c3)SC2=S)cn1	767358808	MNWRGFDWDDXVRX-XGICHPGQSA-N	408.302	3.654	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC[C@H]3[C@H]4c5ccccc5C[C@H]43)cc2F)C[C@@H](C)O1	767936203	IIQPUHGAYHYMOI-NGZAGFBYSA-N	423.532	3.824	10	20	HHCD	
CC(C)Cn1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C1CC1	768340811	FGENOPFNJAOGBH-UHFFFAOYSA-N	410.562	3.555	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@H]2CCOC3(CCOCC3)C2)cc1)C1CCCCC1	769085206	YSBYLFFABJLELC-FQEVSTJZSA-N	415.578	3.983	10	20	HHCD	
CC(C)(NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1	769733898	AQQUFMNAPHKDCJ-UHFFFAOYSA-N	416.524	3.920	10	20	HHCD	
C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772698839	YZHONFAJHKDWPF-HOTGVXAUSA-N	414.531	3.816	10	20	HHCD	
CSCCCCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	773236900	NFKOBHMNENNSNC-UHFFFAOYSA-N	419.513	3.875	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCCc3cccs3)cc2Cl)C1	775102009	ZAROKSQREMYCJX-OAHLLOKOSA-N	419.978	3.613	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccnn3-c3ccccc3C)CC2)cc1	775365006	UAMFVASGCCIOHJ-UHFFFAOYSA-N	405.502	3.980	10	20	HHCD	
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775572529	BJVRFHDPORCWTE-INIZCTEOSA-N	410.518	3.880	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(Cl)cc3)[C@@H]3C[C@H]3C)nc12	776026995	WORVAKXUZZBZHB-SMNXXWJPSA-N	414.893	3.752	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccncn2)c(C)n1-c1ccc(OC(F)F)cc1	778452865	XBABIEOMSROADE-CQSZACIVSA-N	415.396	3.914	10	20	HHCD	
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C\c2cc(Br)nn2C)SC1=S	779203459	IAZXMXXKKNVBHU-PIOLWEACSA-N	400.367	3.963	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCN(c2cccc(Br)c2)C1	779499170	LQBKMOVFTRSZJP-ZQMJAJRESA-N	417.303	3.516	10	20	HHCD	
CN1CCCc2cc(CNC3CCC(N4C(=O)c5ccccc5C4=O)CC3)ccc21	780517650	IHJWSHCRPHJIRJ-UHFFFAOYSA-N	403.526	3.766	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@@H]3CCCN(C4CCC4)C3)CC2)cc1	781401862	MWBDWULEYRCXCY-WOJBJXKFSA-N	414.594	3.570	10	20	HHCD	
COc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	786763640	YABNVJBVEDIAGE-GOSISDBHSA-N	423.557	3.958	10	20	HHCD	
CN(Cc1ccc2ccccc2c1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788930464	SSSFZIKPIDCNRG-UHFFFAOYSA-N	401.510	3.715	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccco2)cc1	788955034	OXEJKRXETPIROD-UHFFFAOYSA-N	409.486	3.564	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCC2(CCCCC2)O1	790198091	PNBDVZXGILEEMM-FQEVSTJZSA-N	403.592	3.921	10	20	HHCD	
CN1CCC(Oc2ccc(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)CC1	790928536	YBSVNDLDZFSTDX-UHFFFAOYSA-N	410.562	3.567	10	20	HHCD	
Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)c1	799186941	KEBRLVFHRLVRJJ-UHFFFAOYSA-N	414.512	3.897	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)nn1Cc1ccccc1	802609583	DWMBALXMPPOADK-UHFFFAOYSA-N	420.513	3.713	10	20	HHCD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCc1ccc(N2CCOCC2)cc1	805168699	LIBLGLLFBNBWEX-UHFFFAOYSA-N	406.482	3.639	10	20	HHCD	
CO[C@H](C)C(=O)Nc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	806232712	FLXPITCZWVOJPP-SNVBAGLBSA-N	412.273	3.994	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N(Cc1ccc(Cl)cc1)C1CC1	806278842	YWYAJSIOWNAEBB-UHFFFAOYSA-N	409.964	3.586	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1	807504922	FNHMKPHKFXFJCN-PZJWPPBQSA-N	411.521	3.693	10	20	HHCD	
Cc1nc(CC(C)C)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)s1	807512712	FWKAYMCOYLSLTE-UHFFFAOYSA-N	416.330	3.917	10	20	HHCD	
Cc1ccccc1-n1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1	808391312	JKCRQJVVFPQHDY-QGZVFWFLSA-N	413.472	3.936	10	20	HHCD	
CCN(CC)CC(=O)Nc1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c1	808434594	QLYJVMIIHAWFFA-UHFFFAOYSA-N	406.870	3.846	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(N2CCCNC2=O)cc1	812944580	NZWSTUOGJMVXIR-KRWDZBQOSA-N	421.545	3.549	10	20	HHCD	
Cc1cc(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)c(C)n1-c1ccccn1	813477995	AQTFRVUHTWALCQ-UHFFFAOYSA-N	411.469	3.790	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCCN1CCCCC1	914084169	WFVMDRYTCCIEBX-JQIJEIRASA-N	424.613	3.759	10	20	HHCD	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	914490656	AZKHDCGQHNXWET-WURKVNMJSA-N	406.438	3.925	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(N2CCOC2=O)c1	916624884	WPGLTMBVBKIRMW-UHFFFAOYSA-N	412.515	3.518	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)c(C)n1-c1ccccn1	917379820	JNQPHHPIHZKSCP-UHFFFAOYSA-N	403.530	3.883	10	20	HHCD	
CC(C)(C)c1ccc(CCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	917834568	ZNPSHDDNQWTUHX-OAQYLSRUSA-N	421.585	3.935	10	20	HHCD	
C[C@@H](OCCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	918196834	DDAAXJDALBOTAH-GOSISDBHSA-N	415.509	3.629	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[nH]c(C)c1C(C)=O	919970211	UCWPXHPIQMTKND-UHFFFAOYSA-N	411.546	3.617	10	20	HHCD	
CCC(CC)N(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1	920409840	OIFDWMIXBSIHEN-IAGOWNOFSA-N	405.558	3.709	10	20	HHCD	
COc1cccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1OC(C)C	920473144	KLWNPPLYEQARLD-SFQUDFHCSA-N	406.573	3.778	10	20	HHCD	
O=C(Nc1cnn(Cc2cccnc2)c1)N(Cc1ccco1)Cc1ccccc1O	1252503325	NOHIIOXMCBNPAR-UHFFFAOYSA-N	403.442	3.859	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	1325860189	NNVLKWAYVDFYEL-AWNIVKPZSA-N	413.307	3.940	10	20	HHCD	
O=C(NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1)c1cc(O)nc(O)c1	1786075429	MFAFIOJTBWJMGC-OAHLLOKOSA-N	407.470	3.597	10	20	HHCD	
CN(c1ccc(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1)C1CCCCC1	64114936	CBGFSVZUBDYHLL-UHFFFAOYSA-N	418.519	3.623	10	20	HHCD	
Cc1c(CNC(=O)c2nnn(Cc3ccc(F)cc3F)c2C)n(C)c2ccccc12	471223918	VAOIRHFMGIXFAS-UHFFFAOYSA-N	409.440	3.643	10	20	HHCD	
CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800636526	KPBQPTFUTMLBSG-ZDUSSCGKSA-N	418.925	3.690	10	20	HHCD	
CCC(=O)c1ccc(NCc2ccc(N3CCC(C)CC3)cc2)c(S(N)(=O)=O)c1	804442404	WGPUEUZHHLFBBS-UHFFFAOYSA-N	415.559	3.775	10	20	HHCD	
CCc1cc(N2CCC(NC(=O)NCc3cc(Cl)cc(Cl)c3O)CC2)ncn1	806907568	SDFJHKCPBCJGNS-UHFFFAOYSA-N	424.332	3.520	10	20	HHCD	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C(=O)NCCCSc1nccs1	806280514	PPNKLBXCJAEKPO-QGZVFWFLSA-N	423.579	3.606	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1	802610203	VIJFPNPBUJZAOG-UHFFFAOYSA-N	424.476	3.793	10	20	HHCD	
CNC(=O)c1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1Br	806734735	NOJLZHXWRLLRBM-UHFFFAOYSA-N	419.323	3.505	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3conc3Cc3ccccc3)cc2F)CC1	815124306	REQWAMOUSCXOFJ-UHFFFAOYSA-N	408.521	3.836	10	20	HHCD	
CC[C@@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1O	810209078	LKTSPJZWGYSJOD-UYAOXDASSA-N	408.464	3.871	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](CO)c3ccc(Br)c(F)c3)CC2)cc1	813791572	CWMSEYIEFVJAEN-HXUWFJFHSA-N	423.326	3.889	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(O)c1	810313749	MRAKKESOIWRRRG-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCc1c[nH]c2ccccc12	730912171	PLQVFIUWMJIVJN-UHFFFAOYSA-N	406.530	3.779	10	20	HHCD	
Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	734273736	ZYYLGHFQATZCED-NRFANRHFSA-N	424.589	3.666	10	20	HHCD	
CCCN(C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H]1CCS(=O)(=O)C1	731182156	JHWRTNUEAYKNHO-GOSISDBHSA-N	408.951	3.787	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C2CC2)cc1	739507217	JFJQDKXOUKCKOD-VQTJNVASSA-N	401.551	3.937	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1	734016569	SYCCVDZOBZAOJC-KRWDZBQOSA-N	423.296	3.629	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c1O	737286388	YHIJKPJHZONURC-MRXNPFEDSA-N	420.465	3.796	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CCCCCNC(=O)NC2CCCCC2)cc1F	734390991	UKZLJKZGHLDGDD-UHFFFAOYSA-N	406.546	3.700	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C2CC2)cc1	739507219	JFJQDKXOUKCKOD-WOJBJXKFSA-N	401.551	3.937	10	20	HHCD	
CCCCCn1nc(C(=O)NCc2ccc(N(C)C)cc2C)c2ccccc2c1=O	734408504	RIKRADFMNZMXEB-UHFFFAOYSA-N	406.530	3.891	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1F	918210910	AIHXKNYONVRQDZ-HUUCEWRRSA-N	419.472	3.586	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1nccs1	915155999	UZISJYGZXLJXNL-ZRDIBKRKSA-N	409.583	3.849	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4F)o3)cc2)C1	917832871	IZZBBFWSTIUJRD-KRWDZBQOSA-N	421.472	3.717	10	20	HHCD	
CC(C)(C)OC(=O)NCCCOC1CCN(Cc2c(O)ccc3ccncc23)CC1	749023078	VANWKUYEPUATCI-UHFFFAOYSA-N	415.534	3.836	10	20	HHCD	
COc1ccc(Br)c(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c1	747700258	YFUQZULKQRCAEL-NTUHNPAUSA-N	411.302	3.847	10	20	HHCD	
CCc1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)nn1-c1ccccc1	743432445	MCKALXGDJPZLKF-UHFFFAOYSA-N	402.454	3.971	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccccc2C)cs1	915290650	ZIKPFBBYOBZENJ-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCc4c(O)cccc43)cc2F)C[C@@H](C)O1	745648824	PNAPZPRFLPKRQJ-SXGZJXTBSA-N	413.493	3.632	10	20	HHCD	
Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	914903158	HBQDQIJWBSHKOM-LJQANCHMSA-N	405.498	3.702	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	746031333	NSJUPHWPYQVBCL-INIZCTEOSA-N	423.311	3.584	10	20	HHCD	
Cc1ccc2c(CCC(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c[nH]c2c1	745761194	ZQMUSOCRHQBWAL-UHFFFAOYSA-N	407.514	3.677	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	748067216	IQIUPBHPDFMASY-NRFANRHFSA-N	414.502	3.749	10	20	HHCD	
O=C(c1ccc(-c2nnc(S)o2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	758818429	WFOYLJVBGZQPNL-QGZVFWFLSA-N	411.483	3.552	10	20	HHCD	
CN1CCc2cc(/C=C3\NC(=S)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccc21	751525039	SAHBYSDOSLCEDJ-WJDWOHSUSA-N	419.428	3.840	10	20	HHCD	
C[C@@H]1C[C@H](NCCNC(=O)c2ccc(Br)cc2)c2c(O)ccc(F)c21	756459315	MOPBVNUZIWPVAT-ABAIWWIYSA-N	407.283	3.862	10	20	HHCD	
C[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(N2CCOCC2)cc1	754169774	OAJUWOGKVXZZAM-CABCVRRESA-N	401.438	3.551	10	20	HHCD	
CCCc1c(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)[nH]c(C)c1C(C)=O	753740123	ZXZLGQPUBSCEBA-UHFFFAOYSA-N	401.482	3.588	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](O)c1c(F)cccc1Cl	752916820	SGVIQLYXVFXODR-RNODOKPDSA-N	405.901	3.783	10	20	HHCD	
CCN(Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1)C(C)C	751095654	SAYGRMKGISXYQN-UHFFFAOYSA-N	413.537	3.823	10	20	HHCD	
Fc1ccc(CN2CCCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1	768231686	XTKRWTSZTGRGOP-UHFFFAOYSA-N	401.501	3.509	10	20	HHCD	
C[C@@H](NCc1nccn1CCc1ccccc1)c1ccc(N2CCOCC2)c(F)c1	766529675	RKQYRBOEPYTDLY-LJQANCHMSA-N	408.521	3.952	10	20	HHCD	
COc1cc(Br)cc(CN(C)CC(=O)Nc2cc(F)cc(F)c2)c1O	769317918	AAUCPZNKSYNHPN-UHFFFAOYSA-N	415.234	3.512	10	20	HHCD	
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(N3CCOCC3)c(F)c2)o1	768983843	SUSNDACLTHKLQR-JOCHJYFZSA-N	408.477	3.653	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(S(C)(=O)=O)CC3)c2C)c1	760932577	FTYBBRJTVCUJAK-UHFFFAOYSA-N	420.600	3.508	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@H]1CCNC(=O)C1	760384349	MDVSISIOEMQRKJ-KBXCAEBGSA-N	419.447	3.824	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@H](C)N(C)C[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	768771766	LHPBBQOHGMTCHE-JKSUJKDBSA-N	405.489	3.903	10	20	HHCD	
CC(C)CN(CC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)OC(C)(C)C	1116271573	UUOVQKXTFCCGMG-UHFFFAOYSA-N	421.607	3.749	10	20	HHCD	
COc1cc(NC(=O)CN(C)Cc2cc(Br)cc(C)c2O)cc(OC)c1	775737601	VPMHTXNFFSRNQH-UHFFFAOYSA-N	423.307	3.551	10	20	HHCD	
CCC[C@@]1(CO)CCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	770492917	LTVVYSJBTIPHJW-NRFANRHFSA-N	411.493	3.593	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)C2CC2)cc1	778428888	SGBONEIVLKUYEZ-HXUWFJFHSA-N	406.448	3.866	10	20	HHCD	
C[C@@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccc(N(C)C)cc1	773014903	MTMADLKIVXCHIZ-CQSZACIVSA-N	415.950	3.956	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2sc(C(=O)O)cc2Br)c(C)c(C)c1O	775291513	KLCRBPYZWIMCOZ-UHFFFAOYSA-N	420.306	3.640	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)OCc3ccccc3)cc2F)C[C@H](C)O1	779629188	OZPORFQDPAAXFM-IRXDYDNUSA-N	401.482	3.713	10	20	HHCD	
Cc1nc2ccccc2n1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	772258217	JDPPVEHAHCAZFS-IRXDYDNUSA-N	424.520	3.804	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C)[C@@H](C)[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	771459796	LPMRLRSVHHFNHT-JKSUJKDBSA-N	405.489	3.903	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)cc1	784108359	XSIBBZQJTSDYHJ-UHFFFAOYSA-N	403.486	3.616	10	20	HHCD	
CCN1CCc2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc21	784109472	TWIUMYMYXSIBTN-UHFFFAOYSA-N	406.530	3.813	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2ccccc2n1CC(F)(F)F	787149527	KBXLIQITGSBZBX-UHFFFAOYSA-N	417.431	3.970	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NCc1ccc(N2CCOCC2)cc1	788246818	NZVVJIAJHWPPRM-NHCUHLMSSA-N	403.567	3.839	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H](Oc2cccc(F)c2)C1	784224553	VBJIMVJTWQXIBB-OAQYLSRUSA-N	415.534	3.742	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc([C@H]3CCCOC3)nn2C)cc1F	790542958	SVHJLVZKDHOWIF-INIZCTEOSA-N	403.502	3.621	10	20	HHCD	
CCOCCCN1CC[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)C1	792976744	UGBSEWXNNJCJPW-JXFKEZNVSA-N	401.517	3.998	10	20	HHCD	
Cc1cc(NCc2ccc(N3CCOCC3)cc2)cc(N2CCN(C(C)C)CC2)c1	790995524	QKDKOAMNSONXIG-UHFFFAOYSA-N	408.590	3.974	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc(N2CCCC2)c(F)c1	797739206	ZURJIMMMNAHLFY-UHFFFAOYSA-N	421.856	3.904	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@H](CO)c2ccccc2OC(F)(F)F)c1O	796526261	SLSSRSUDFOTFEZ-OAHLLOKOSA-N	403.784	3.970	10	20	HHCD	
CNC(=O)COc1ccc(N[C@H](C)c2cc(Br)c(F)cc2O)c(C)c1	794839638	HCEBNDMNARMOIN-LLVKDONJSA-N	411.271	3.900	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(-c3ccccc3)ccc2Cl)c1	792339314	VNNNSNKJHZONFQ-UHFFFAOYSA-N	410.857	3.976	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCCC2)c(C)n1-c1ccccc1Br	799036721	NCAQEXGHKRNHST-AWEZNQCLSA-N	418.335	3.597	10	20	HHCD	
CN(C)c1ccc([C@H](CNCc2cccnc2N(C)C)NC(=O)OC(C)(C)C)cc1	1323379703	VVUWIKKYHTULJV-FQEVSTJZSA-N	413.566	3.569	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(C(=O)NCCN2CCCC2)cc1	1325357521	SWIHQGOOKAKTSG-NQIIRXRSSA-N	407.558	3.864	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)c(C)n1-c1cccc(Br)c1	109343332	DCCUYXXOSSMVMH-ZDUSSCGKSA-N	420.351	3.890	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)c2C)cc1	25471388	IMXLRTAGQAWCLV-UHFFFAOYSA-N	422.510	3.673	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1	110707846	ONOKUJIVCZFTND-VWLOTQADSA-N	416.569	3.813	10	20	HHCD	
COc1ccc(N2CCCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)CC2)cc1	301242167	ONHLUDXBYXGNCK-UHFFFAOYSA-N	408.546	3.679	10	20	HHCD	
Cc1noc(CCCNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n1	110561257	CHYHBGGKPYTGBH-UHFFFAOYSA-N	417.307	3.911	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	195565007	JIGBBWQGHBKNSL-UHFFFAOYSA-N	410.562	3.711	10	20	HHCD	
COc1cccc(CNCc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)c1O	809740362	VPVZTHIOAPSKMS-UHFFFAOYSA-N	400.910	3.904	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(F)cc2Br)n(C)c2ccccc12	472812265	RTMVRBDATYIEIS-UHFFFAOYSA-N	418.266	3.643	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cscc1Br	803031178	MWZGOWJVEMZCFF-UHFFFAOYSA-N	418.696	3.685	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N(CCC(C)C)C3CCCC3)CC2)cc1	804317595	JBXQDJYXBXDLOK-UHFFFAOYSA-N	415.578	3.598	10	20	HHCD	
O=C(NCc1noc2c1CCCC2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806878570	SRCVVTMZPWWAKY-CQSZACIVSA-N	420.460	3.623	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)n(C)c2ccccc12	471177997	MFXSMFAOHBHYJN-NRFANRHFSA-N	406.486	3.926	10	20	HHCD	
Cc1c(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c(=O)n(-c2ccccc2)n1C	806081381	UPHBDCOLTAZHGB-UHFFFAOYSA-N	421.284	3.819	10	20	HHCD	
CCC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800050115	NMRGHLLGJNVWQJ-JXFKEZNVSA-N	405.970	3.984	10	20	HHCD	
COCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1O	812123987	ZGQHXBCVTIMNJA-UHFFFAOYSA-N	423.336	3.758	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1	726182745	HTIZNIGYLMFHPL-SFHVURJKSA-N	401.482	3.930	10	20	HHCD	
NC(=O)[C@H]1CCCN(CCCNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	729546477	MPJORKPINOHVBL-KRWDZBQOSA-N	408.506	3.811	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NCc3ccccc3N3CCOCC3)CC2)cc1	727470153	FEVSNBODKZLFDD-UHFFFAOYSA-N	417.500	3.883	10	20	HHCD	
Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(C)c(O)c2O)cs1	727003598	BFZPUKFQKINEMX-UHFFFAOYSA-N	412.467	3.709	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1[N+](=O)[O-]	734740738	RTKUMBNZXKRBGR-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCCCSc1nccs1	733974219	KLAUAPLYAWDCHE-UHFFFAOYSA-N	401.344	3.939	10	20	HHCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1	732354897	VSKPQAYIZAHZPP-LLVKDONJSA-N	416.480	3.952	10	20	HHCD	
CCOC(=O)Cc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	738960375	LMTBPJSNRXMQCW-QGZVFWFLSA-N	411.502	3.512	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(OC(F)(F)F)cc3)c2)CC1	739767175	WWYZYOWASZNTDP-UHFFFAOYSA-N	407.392	3.539	10	20	HHCD	
CC[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C)cc1	737517304	LGUYPGQPUJYEAU-IRLDBZIGSA-N	407.558	3.897	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(N3CCSCC3)CCCCC2)c1	732702931	DOIOONBQLXAGFV-INIZCTEOSA-N	407.580	3.513	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)n3cnc4ccccc43)cc2F)C[C@@H](C)O1	918139377	AQYXJLQOAJOIGR-BBWFWOEESA-N	410.493	3.666	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)NCc3ccc(N(C)C)cc3C)n2)c1	743705625	UOQGOEJSUHQNIC-HNNXBMFYSA-N	409.490	3.680	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	743716487	PWYDAGUFYFWKOR-NRFANRHFSA-N	422.525	3.591	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(-n2cccn2)nc1	743098184	MYSQCEDOLSZPIF-UHFFFAOYSA-N	416.279	3.789	10	20	HHCD	
CC(C)CN1CCO[C@@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	745314545	AIKPCONAROCFLU-NRFANRHFSA-N	403.567	3.593	10	20	HHCD	
CCCOCc1ccccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	916640532	LUMPBQVSZAKLOB-UHFFFAOYSA-N	411.546	3.791	10	20	HHCD	
O=C1CCCN1Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	916682831	GVIFNKMSDDYTQL-OAQYLSRUSA-N	423.513	3.728	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCCN(C)c3ccccc3F)CC2)cc1	918130165	JSDVAGCJSZTGAU-UHFFFAOYSA-N	414.525	3.583	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccncc3)cc2F)C[C@@H](C)O1	918219652	DGMMGFHJSMBHIW-FVJLSDCUSA-N	412.509	3.881	10	20	HHCD	
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	915778634	MXGBQJBRIFTAMP-UHFFFAOYSA-N	422.529	3.526	10	20	HHCD	
CC(C)(C)c1nc2cc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)ccc2o1	743955881	MJYMQEJYWZPCNZ-UHFFFAOYSA-N	421.497	3.965	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]34CCCc3ccccc34)cc2F)CC1	743338920	GRGFEBODMYWRJA-ATIYNZHBSA-N	421.560	3.878	10	20	HHCD	
COc1ccccc1-c1nn(C)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	740647572	DVJBDEJTPLOZNH-UHFFFAOYSA-N	404.514	3.967	10	20	HHCD	
CC[C@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc(N(C)C)c(F)c3)ccc2NC1=O	745930277	JLMITYDUOMERSU-ORAYPTAESA-N	414.481	3.562	10	20	HHCD	
CC[C@@H](NC(=O)NCCCSc1nccs1)[C@@H](O)c1c(F)cccc1F	759588861	DWPMYLHCZUMVGY-UKRRQHHQSA-N	401.504	3.715	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CNC(C)(C)c3ccc(Cl)c(Cl)c3)nc12	750874589	BOQBGBWOSKIIMA-UHFFFAOYSA-N	423.300	3.943	10	20	HHCD	
CCC1(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCCC1	756915344	HRFADLDGGIVCDH-UHFFFAOYSA-N	411.525	3.529	10	20	HHCD	
C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1	753283402	UVABKDBORWGYNX-GOSISDBHSA-N	414.571	3.843	10	20	HHCD	
COc1cc(N(C)Cc2nc(N)c3c4c(sc3n2)CCCC4)cc(OC)c1OC	757088027	RQKAXSYKGDWJKQ-UHFFFAOYSA-N	414.531	3.815	10	20	HHCD	
CCNC(=O)COc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2O)cc1	756802227	GMNNXTFUXJJOJW-NSHDSACASA-N	411.271	3.982	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1	752640480	DVXWLGYBFRVGPO-MOPGFXCFSA-N	418.534	3.593	10	20	HHCD	
COc1ccc2cccc(CC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2c1	754061178	JUADJBJTAORYJG-UHFFFAOYSA-N	422.500	3.808	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c(OC[C@H]2CCCO2)c1	757665978	JARMPILZNSMRFB-LJQANCHMSA-N	415.509	3.757	10	20	HHCD	
CC[C@@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OC)cc1	751644764	JGFAPMOIIRKYEL-SFHVURJKSA-N	400.494	3.871	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ncc(C2CCCCC2)s1	756104559	SVVCMXZIIVAUBZ-UHFFFAOYSA-N	410.543	3.822	10	20	HHCD	
C[C@H](NCc1ccccc1CS(C)(=O)=O)c1cc(Br)c(F)cc1O	756632940	FIGOJCVZGWAATR-NSHDSACASA-N	416.312	3.689	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C	769292054	QMDLOBSFCOLBHB-HNNXBMFYSA-N	411.340	3.540	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)cc1F	766414914	OFQFFIFZTQLCEL-HUUCEWRRSA-N	408.395	3.704	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)cc2S(=O)(=O)CC)cc1	760016431	SNSZPGINAWLFLE-UHFFFAOYSA-N	407.511	3.787	10	20	HHCD	
CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1O	765927410	QZOBSVLDVGRHPF-UHFFFAOYSA-N	405.292	3.707	10	20	HHCD	
CCCCCCNC(=O)[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769202428	RTRYKTFXXYPTLV-FQEVSTJZSA-N	405.558	3.571	10	20	HHCD	
O=[S@@](Cc1cccc(NS(=O)(=O)c2cccc3nonc23)c1)C1CCCCC1	765089161	HAXXFWIVHFRLAQ-MHZLTWQESA-N	419.528	3.605	10	20	HHCD	
COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1[N+](=O)[O-]	766405637	MLZLAZJHHXJZPH-UHFFFAOYSA-N	402.362	3.631	10	20	HHCD	
CCN1CCN(c2ccc(CNC3CCC(C(=O)OC(C)(C)C)CC3)cc2F)CC1	768612101	GANHXXQPVMUHMZ-UHFFFAOYSA-N	419.585	3.958	10	20	HHCD	
CCCc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccccc1Cl	773761298	ARGBMHSLCJHWBJ-CYBMUJFWSA-N	414.893	3.645	10	20	HHCD	
COc1ccc(/C=C/C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1O	772724681	OTDHEQMYLNWHAC-YCRREMRBSA-N	418.440	3.801	10	20	HHCD	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn(CC(F)F)c3)n2)c(C)c1	777665638	NOOWCSHVBFWDIM-UHFFFAOYSA-N	412.487	3.998	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)cc1	778625905	CHBLTJJGKOSSJW-IERDGZPVSA-N	413.493	3.936	10	20	HHCD	
COc1cc(O)c(CN[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1OC	776252746	XDVFCGOLXSFBKR-QMHKHESXSA-N	401.503	3.824	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)C4CC4)CC3(C)C)c2C)cc1	776577768	QLBAZXMBLWDWBW-UHFFFAOYSA-N	409.530	3.576	10	20	HHCD	
C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N2CCOCC2)cc1Cl	777041122	GFRQLCOQIRNDFE-AWEZNQCLSA-N	400.910	3.540	10	20	HHCD	
CC(=O)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)nc1C	777173069	VKXJKAXYQFLJGL-GOSISDBHSA-N	415.921	3.654	10	20	HHCD	
O=C(O)c1ccoc1CSc1ccccc1C(=O)N1CCS[C@@H]2COCC[C@@H]21	776687786	YFENEFZDSBVHPF-MAUKXSAKSA-N	419.524	3.617	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1)c1ccc(N(C)C)cc1	776239791	VLVVKPFPHDILMR-RBUKOAKNSA-N	408.546	3.665	10	20	HHCD	
CN(C)c1ccc(CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)cc1	771790515	DBXCYZHHHYBJPF-UHFFFAOYSA-N	410.474	3.623	10	20	HHCD	
CCCC[C@H](NCc1cc(Br)cc(Br)c1O)C(=O)OC	775980562	REIGQBUTPOMUMW-LBPRGKRZSA-N	409.118	3.739	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/SC(=S)N(c4ccc(F)cc4)C3=O)cc2)CC1	771519761	HZMLDKAQABTRDI-XMHGGMMESA-N	413.543	3.983	10	20	HHCD	
COc1ccc2c(C)c(CCC(=O)N[C@H](C)c3ccc(N(C)C)cc3)c(=O)oc2c1	773991496	YUECEPSDBOIJSK-MRXNPFEDSA-N	408.498	3.986	10	20	HHCD	
CCCCCC(C)(C)c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	771055646	ICGOENZVPPHIQW-UHFFFAOYSA-N	414.550	3.827	10	20	HHCD	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1	782667340	ASUQAXGUUXDYJP-HNNXBMFYSA-N	408.420	3.626	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](CC(F)(F)F)C(C)C)cc2F)CC1	782969485	XBEKBRVCGMTLIK-KRWDZBQOSA-N	418.479	3.744	10	20	HHCD	
CN1CCN(c2ccc(NCc3ccc(N(C)C)cc3)cc2Br)CC1	786837097	RWLFFPZNMNKIHZ-UHFFFAOYSA-N	403.368	3.879	10	20	HHCD	
CN1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c2ccccc2C1=O	783277325	GXEXSBLJTXOFES-LJQANCHMSA-N	419.447	3.513	10	20	HHCD	
COc1cccc(CN(CC(C)C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	788913862	ZXLFGALBELSPLZ-UHFFFAOYSA-N	423.557	3.596	10	20	HHCD	
CCSCc1ccccc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	789091693	KUVSNMZOKOOSQD-UHFFFAOYSA-N	400.544	3.821	10	20	HHCD	
CO[C@H](C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C)c1cnn(C)c1	798774062	KJIBWLCNNDAYDU-QFIPXVFZSA-N	409.486	3.558	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1	797635775	IMDZBZYPYKRWLH-QGZVFWFLSA-N	413.518	3.715	10	20	HHCD	
CC[C@H]1NC(=O)N(c2cccc(NCc3cccc(Br)c3O)c2)C1=O	793356499	ICNKCKRQJXSEMW-OAHLLOKOSA-N	404.264	3.602	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C3CC(c4ccc(F)cc4)C3)cc2F)CC1	794298258	USPBZKSVTMWJOP-UHFFFAOYSA-N	413.512	3.917	10	20	HHCD	
CCOc1c(Cl)cccc1CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	791501984	CYGHTNZTAWUMQF-UHFFFAOYSA-N	418.921	3.549	10	20	HHCD	
Cc1nc(CSCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1	1317911139	DMOILYOFWFASKN-KBPBESRZSA-N	423.579	3.754	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cnn(Cc4cccnc4)c3)c2C)cc1	1321138411	CRVBWPVNPJZPCC-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1nc(NCc2ccco2)ncc1Cl	1325345977	QFDIPILMXPAJBW-UHFFFAOYSA-N	405.201	3.777	10	20	HHCD	
Cc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1	1321246628	MZEAPTZWRPONDX-AWEZNQCLSA-N	419.978	3.992	10	20	HHCD	
Cc1cc(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)[nH]1	1340394636	QIFRLJKYMLZDKT-GOSISDBHSA-N	400.523	3.693	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@@H]2C2CC2)cc1	1847480283	BLUORHXNQGKOKG-LWSSLDFYSA-N	417.553	3.956	10	20	HHCD	
COC(=O)C1CCN(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)CC1	8470662	NUGHFXHQUWPSNW-UHFFFAOYSA-N	400.544	3.884	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1	60881243	YKACABVDGVZQLD-UHFFFAOYSA-N	412.493	3.997	10	20	HHCD	
Cc1c(CNC(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n(C)c2ccccc12	472232605	NFQURWFIRHWCDA-AWEZNQCLSA-N	419.451	3.764	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cnc(-c4ccccc4)nc3)CC2)cc1	726608751	AQFQVMUAZXXPRP-UHFFFAOYSA-N	403.486	3.943	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)c2C)c1	726661275	KYNXZMPQGHOTQW-UHFFFAOYSA-N	424.457	3.668	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(Br)s2)cs1)c1cncc(F)c1	727245798	NWVGYSGJGPSMIU-UHFFFAOYSA-N	420.310	3.969	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	729053282	DTZMBFHJIFZTHU-JYJNAYRXSA-N	421.538	3.797	10	20	HHCD	
C[C@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)ccc2O1	730072660	HBUAONAXKQFFLP-NSHDSACASA-N	416.480	3.663	10	20	HHCD	
O=C(OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1cc(O)cs1	731911511	KKGBUGAHJLBELH-CYBMUJFWSA-N	402.453	3.643	10	20	HHCD	
Fc1cc(CN=c2cc[nH]c3ccccc23)ccc1N1CCN(c2ncccn2)CC1	731983939	UBGAIQKZASJIPP-UHFFFAOYSA-N	414.488	3.525	10	20	HHCD	
Cc1cc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c(C)n1-c1ccccn1	733183583	IJRGLPXWRBHRCI-IAGOWNOFSA-N	412.534	3.959	10	20	HHCD	
CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	735188000	USKPVMJYAWRRJU-KNQAVFIVSA-N	422.573	3.899	10	20	HHCD	
CC(C)c1nc2cc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)ccc2o1	737100828	VVYHNGYPYOIVDK-UHFFFAOYSA-N	406.486	3.806	10	20	HHCD	
CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1sccc1-n1c(C)ccc1C	743415908	NFHFQWBLRUJHFN-OAHLLOKOSA-N	406.548	3.834	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN(c2ncnc3sccc23)C1	743716977	DTITVMDRCJZTCE-MRXNPFEDSA-N	422.554	3.809	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Oc2ccccc2)ccn1	744465662	VRHYSAALUITWMH-UHFFFAOYSA-N	407.445	3.780	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccc4cccnc34)cc2F)C[C@@H](C)O1	745183652	XWGLPPHEVFUPLS-IAGOWNOFSA-N	422.504	3.987	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C(=O)N1c1ccccc1	745882076	MMMBOQUMXJFGGL-DYESRHJHSA-N	419.481	3.891	10	20	HHCD	
C[C@]1(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO[C@@H]1C1CC1	753154670	QASUGXOYHOBCFV-NQIIRXRSSA-N	409.477	3.514	10	20	HHCD	
O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(OCc4ccccc4)cc3O)C2)nc1	753545742	GNZJNFVFMIDBFO-IBGZPJMESA-N	420.469	3.961	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c(C)n1-c1ccccn1	754878456	QSOZEJWMLBWFTQ-UHFFFAOYSA-N	404.514	3.698	10	20	HHCD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(CN[C@@H](C)c3cc(F)cc(F)c3O)cc2)C1	756432298	PLISRUWTUPTVIN-GJZGRUSLSA-N	424.513	3.942	10	20	HHCD	
Cc1ccc([C@@H](C)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c(O)c1C	756433254	CLRXBINTGDEXAE-LJQANCHMSA-N	411.546	3.521	10	20	HHCD	
Cc1cc(N2CCC(N[C@@H](C)c3cc(Br)ccc3O)CC2)nc(C)n1	756635627	SAEAZYINGXHOFZ-ZDUSSCGKSA-N	405.340	3.881	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2Cc3cccc(O)c3C2)cc1	759455936	OGVJUHQJVQXYQF-LJQANCHMSA-N	405.498	3.930	10	20	HHCD	
COc1cc(Cl)cc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1O	761216400	QKWABEIELWJUJL-RBUKOAKNSA-N	411.329	3.869	10	20	HHCD	
CCO[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C12CCCCC2	761484533	UDFHOBLQRKGMAW-ROUUACIJSA-N	406.910	3.938	10	20	HHCD	
CCOC(=O)[C@H](Cc1cccc2ccccc12)NCc1cc(OC)c(OC)cc1O	763370493	LBCOIYSBHSTDSN-FQEVSTJZSA-N	409.482	3.827	10	20	HHCD	
Cn1ccc(N2CCC[C@@H](OC(=O)c3ccccc3N=Nc3ccc(O)cc3)C2=O)n1	764495241	JFDPXPQRAQSQQP-LJQANCHMSA-N	419.441	3.894	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCO[C@H](c2ccccc2)C1	764806925	UACLELUDZOBCCM-WBVHZDCISA-N	405.292	3.874	10	20	HHCD	
C[C@@H](NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1	765851104	NKKYWPPXTUZCEA-RTBURBONSA-N	403.567	3.821	10	20	HHCD	
COc1ccc2c(c1)CCCCN2Cc1nnnn1-c1ccccc1Br	766269405	JWVRLRIHMSTTEQ-UHFFFAOYSA-N	414.307	3.776	10	20	HHCD	
C[C@H](c1cccnc1)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	769425891	YGEZIMWKHILGFL-LJQANCHMSA-N	409.534	3.859	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)c1	769719708	LLBZKPMWKLIEER-UHFFFAOYSA-N	410.495	3.722	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1	770254280	GBHIXMGXFLAHCP-UHFFFAOYSA-N	413.493	3.810	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1OC)Cc1cc(Br)cc(OC)c1O	771929134	RMJGXIGTXPUFBZ-UHFFFAOYSA-N	423.307	3.633	10	20	HHCD	
CN(C)c1ccc([C@H](CNCc2nn(C)c3ccccc23)NC(=O)OC(C)(C)C)cc1	773408530	IBVSAYYBIOYYGX-FQEVSTJZSA-N	423.561	3.995	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC1CCCCCCC1	774576249	SYJVNFRTVZOMIK-UHFFFAOYSA-N	411.340	3.732	10	20	HHCD	
CC[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1cc(Br)ccc1O	775486754	GUCPJAOVKXFIBN-INIZCTEOSA-N	413.337	3.767	10	20	HHCD	
O=C(c1ccccc1OC(F)F)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775647888	GPJRSULNBARKSH-UHFFFAOYSA-N	414.811	3.744	10	20	HHCD	
CC1CCC2(CC1)OC[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)O2	777760675	JGXWYMVIGPPNDO-VSZUSUSQSA-N	401.551	3.748	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)OCC(F)(F)F	777823819	YIBRMGNQMDDJBG-AWEZNQCLSA-N	410.392	3.771	10	20	HHCD	
CSc1ccc(-c2csc(NS(=O)(=O)c3cn4c(n3)CCCC4)n2)cc1	779790907	CMQMXVOTOAKJSG-UHFFFAOYSA-N	406.558	3.866	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)Cc1ccc(F)cc1F	779904085	SAEWGXGARDHISW-UHFFFAOYSA-N	420.275	3.785	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)Cc3ccc(OC)c(OC)c3)CC2)cc1	781141468	IMQOVEYWBPLZQQ-SFHVURJKSA-N	412.530	3.630	10	20	HHCD	
CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)cc1	781322384	FSXTZZYUQVPSLM-UHFFFAOYSA-N	414.571	3.718	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ccc1NC(=O)OC(C)(C)C	784278363	IRMYKNQRWRQQDI-UHFFFAOYSA-N	401.415	3.793	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)cc2)CC1	786256287	CTNGVMGDUYQTQH-UHFFFAOYSA-N	413.949	3.648	10	20	HHCD	
COC[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1	787374338	QOHAAGNWBOSZAH-OAQYLSRUSA-N	417.937	3.958	10	20	HHCD	
Cc1cc(C(=O)NCCOCC(F)F)c(C)n1-c1ccc(Br)cc1	788260092	SPQUDJZWFJXMRG-UHFFFAOYSA-N	401.251	3.868	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cccc4ccn(C)c34)cc2F)CC1	788313941	BDXXLMVXPBVGGN-UHFFFAOYSA-N	409.509	3.781	10	20	HHCD	
CCn1cc(OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1	792590793	RRMHHVDUCNZSNV-NTEUORMPSA-N	407.542	3.552	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@H](CO)c1ccccc1OC(F)(F)F	793105009	UCYKXHFYQWEVDA-GFCCVEGCSA-N	421.466	3.557	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccccc1C(F)(F)F	793787072	WJFLLOSBLTXETC-UHFFFAOYSA-N	408.420	3.509	10	20	HHCD	
NC(=O)c1cc(Cl)cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c1	798439516	UWLZZXMTGIWOFF-UHFFFAOYSA-N	422.934	3.668	10	20	HHCD	
CN1C(=O)COc2cc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)ccc21	799246366	YYMYEINWNVEJGA-UHFFFAOYSA-N	407.426	3.575	10	20	HHCD	
COC[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[C@@H]1CCCO1	799984815	KSNUTTBGLIEAAU-BPAFIMBUSA-N	409.958	3.570	10	20	HHCD	
Cc1cc(-c2nnc(N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)n2C)c(C)n1-c1ccccc1	800742615	XIFGXGZTGFJQEC-KDLAUNOPSA-N	421.545	3.662	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(CCN2CCOCC2)cc1	806224551	LEWIJIOJZZJABR-UHFFFAOYSA-N	424.328	3.895	10	20	HHCD	
C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)NCCCSc1nccs1	806276228	LMTNXMAPIICQRF-WMLDXEAASA-N	403.573	3.571	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2cccnc2)cc1	807672663	FQPXIZZIVMIOBR-ROUUACIJSA-N	416.525	3.869	10	20	HHCD	
COc1ccc([C@H](O)C2CCN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1	812481763	PUUJLYPGWDEBGN-NRFANRHFSA-N	402.447	3.571	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C/c3cc(OC)c4c(c3)OCO4)SC2=S)c1	814276660	DRQZNVRGPNPTNQ-PXNMLYILSA-N	401.465	3.838	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ncccc2OC)cc1	857450279	QYKFWMQJAMNAPJ-UHFFFAOYSA-N	405.498	3.941	10	20	HHCD	
COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)c2ccccc2O1	913268300	ZHUQQMQSLCDIPT-QFIPXVFZSA-N	404.466	3.983	10	20	HHCD	
Cc1cc(C(=O)NCCCn2cccn2)c(C)n1-c1ccc(Br)cc1	914881150	RIZQJBSPKAGGDF-UHFFFAOYSA-N	401.308	3.873	10	20	HHCD	
CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1	917872645	NMKHKXDVQUFKFJ-UHFFFAOYSA-N	421.569	3.659	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccn1	920886991	VHTSWIKTFCRRML-GOSISDBHSA-N	404.514	3.817	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(Br)c(F)c3)CC2)cc1	921282628	LAXXLLOISAXBMD-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
CN1CCN(c2ccc(CN(CCc3ccccn3)Cc3cccnc3)cc2F)CC1	1116884528	PXBDXKYABWSVFL-UHFFFAOYSA-N	419.548	3.612	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c(C)n1-c1ccc(Cl)cc1	1324888495	LSJCASXCSKWDPN-KRWDZBQOSA-N	413.949	3.807	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1c1ccc(Br)cc1	109772863	OJVXTDBPRFHBNP-VQTJNVASSA-N	415.331	3.706	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1	802781945	JHOWYUJGSQWTEM-KXBFYZLASA-N	404.457	3.735	10	20	HHCD	
C[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccsc1	801439646	BGSBSASQJKPOAJ-NSHDSACASA-N	408.526	3.807	10	20	HHCD	
CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NCCCSc1nccs1	806278554	VGCPNRQKIFAUFC-UHFFFAOYSA-N	418.371	3.707	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cc(C)n(-c3nccs3)c2C)SC1=S	814268340	SVHPAAKWBGVPMC-UVTDQMKNSA-N	421.569	3.705	10	20	HHCD	
CCc1nc2ccc(Cl)cn2c1C(=O)N1CCCN(c2ccc(OC)cc2)CC1	812478220	QBIJENUXNHXPCV-UHFFFAOYSA-N	412.921	3.911	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1	728139123	LBQFKIXKZIUVQI-UHFFFAOYSA-N	411.399	3.946	10	20	HHCD	
O=S(=O)(C1CC1)N1CCC(N[C@@H](CCc2ccccc2)c2ccccc2O)CC1	815596476	VMFNNBAKEBAUEH-QFIPXVFZSA-N	414.571	3.612	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CSc1nnc(-c2ccco2)n1CC	727170188	JKUMUXYWGPIIDS-UHFFFAOYSA-N	400.504	3.795	10	20	HHCD	
Oc1ccc(CCNc2nc(C(F)(F)F)ccc2I)cc1O	811810751	ADZNAPRCQHJHGR-UHFFFAOYSA-N	424.160	3.771	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1	728979821	NVVUETZKJJAMHV-CYBMUJFWSA-N	411.483	3.530	10	20	HHCD	
CCOC(=O)c1cccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c1	727246111	IEZVRUIUBUNQPX-UHFFFAOYSA-N	416.480	3.680	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nncn4c3)c2C)cc1	725933799	ZTGQAZANCKGWFV-UHFFFAOYSA-N	418.453	3.575	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	726265228	CYENYSMIJYVGKD-SFHVURJKSA-N	404.555	3.541	10	20	HHCD	
Cc1cc(C(=O)NCc2cn(C(C)C)nn2)c(C)n1-c1ccccc1Br	820209264	MTUPSQASPIKOTP-UHFFFAOYSA-N	416.323	3.959	10	20	HHCD	
C[C@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	736322291	LDWIUVFMRNEINP-HOTGVXAUSA-N	400.504	3.548	10	20	HHCD	
CCCNC(=O)CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C	732353295	VAHPELXCUBCEPD-UHFFFAOYSA-N	402.466	3.574	10	20	HHCD	
O=C1CCCN1[C@@H]1CCCN(Cc2c(O)ccc3cc(Br)ccc23)C1	732186386	OGUDTZCCECQNSA-MRXNPFEDSA-N	403.320	3.895	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3nc(N4CCCC4)ncc3Cl)cc2)CC1	731015465	SSOWRWRLQRLHAZ-UHFFFAOYSA-N	413.953	3.897	10	20	HHCD	
Cc1cc(CC(=O)N2CCc3ccccc3[C@H]2C(N)=O)c(C)n1-c1ccc(Cl)cc1	730792727	IQRUWNYARRQICC-QHCPKHFHSA-N	421.928	3.901	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1	917852502	OPMNGSOWQSVIJI-UHFFFAOYSA-N	419.440	3.556	10	20	HHCD	
Cc1ccccc1OCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	918128721	WQLYBATYSSKZMR-HDICACEKSA-N	415.509	3.626	10	20	HHCD	
CN(CCCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)CC(F)(F)F	916581300	XXUAXXOODZXWCQ-UHFFFAOYSA-N	400.489	3.703	10	20	HHCD	
COc1ccc([C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C2CC2)cc1	918201886	USDIRWVQZIFDLO-DEOSSOPVSA-N	423.557	3.854	10	20	HHCD	
O=C(CN1CCCC2(CCCCCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1	743859595	DSVQPLOJNGPULX-UHFFFAOYSA-N	417.569	3.715	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1	914508056	UGRQRXQLSSBDRL-QFIPXVFZSA-N	409.530	3.921	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(Cc2ccc(C(=O)NC)cc2)C2CC2)cc1	918228282	HQKMXIUENJRWRA-UHFFFAOYSA-N	408.546	3.767	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(c4ncnc5sccc45)CC3)c2c1	914785102	NEEZZRQDVBNKTM-UHFFFAOYSA-N	406.511	3.881	10	20	HHCD	
O=C(N[C@H](Cn1cccn1)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1	741426791	PTYHEKYXQQGQRX-FGZHOGPDSA-N	420.513	3.721	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCN(c4ccc(C)cc4)C3)CC2)cc1	745889984	XSNKYYMHTCVQDL-OAQYLSRUSA-N	422.573	3.894	10	20	HHCD	
Cc1csc([C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)n1	743565360	VWNPQLMGGQVDOG-KXBFYZLASA-N	400.548	3.800	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc4ccccc4nc3O)cc2F)C[C@H](C)O1	918140719	ONIMAFMPCFYJON-GJZGRUSLSA-N	409.461	3.623	10	20	HHCD	
CCN(CC)CC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	916624855	VJGZUCYALIJITL-UHFFFAOYSA-N	404.624	3.503	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(N(C)C)cc1	743817347	UKGKUNXZTQTEPR-UHFFFAOYSA-N	406.324	3.952	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c(C)o1	754693544	KGHFHDAJSGGYNM-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cc(C)cc(C)c3O)C2)cc1	754730599	SZNNMPBRNDYPHV-IBGZPJMESA-N	402.560	3.508	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(Br)cc1O	756544758	VPEMGPRYLFKLJE-JQWIXIFHSA-N	402.235	3.523	10	20	HHCD	
Cc1ccc(O)c([C@H](C)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1	756775702	RICYLCNFBPDCDK-ZDUSSCGKSA-N	403.422	3.724	10	20	HHCD	
CC(C)[C@@H](O)C(C)(C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	754643114	RDPHXRKKXMGGPE-GOSISDBHSA-N	413.509	3.599	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1	753333699	IILGYPYWOORUDR-UHFFFAOYSA-N	404.555	3.732	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC2(CCCC2)c2c(F)cccc21	750345153	OVLSGXHSLZKKQT-UHFFFAOYSA-N	421.516	3.901	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/c3cnc(C(C)(C)C)s3)CC2)cc1F	753745546	OOCAZBZVESTTKJ-SOFGYWHQSA-N	403.523	3.950	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3nccn3CCCc3ccccc3)ccc21	751611123	ALWGLKVCMUUWPL-UHFFFAOYSA-N	417.557	3.898	10	20	HHCD	
C[C@@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1	764881409	REMRGQOQZFLMTJ-YJYMSZOUSA-N	409.313	3.741	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1NCc1ccco1	763937986	OABFVTQSZHGYQO-UHFFFAOYSA-N	409.461	3.797	10	20	HHCD	
COc1cc(OC)cc(OCCNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	764375573	XHHACCRRDSIYHA-UHFFFAOYSA-N	415.534	3.769	10	20	HHCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)CC1(c2ccc(Br)cc2)CC1	768446987	PWZBXAWAHBXBOI-SFHVURJKSA-N	404.304	3.744	10	20	HHCD	
CCNC(=O)COc1ccc(CN(Cc2ccccc2O)C2CCCC2)cc1OC	769391070	XTEXWSVIACRAHY-UHFFFAOYSA-N	412.530	3.861	10	20	HHCD	
CC(C)N(C)Cc1ccccc1CNC(=O)NCc1cccc(Br)c1O	764762614	IZGZSBZZKUWWLW-UHFFFAOYSA-N	420.351	3.994	10	20	HHCD	
COc1cccc([C@H](C)N2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)c1	769328807	SOXGBCMMCSSGOY-IBGZPJMESA-N	413.537	3.550	10	20	HHCD	
O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCc1ccc(O)c(O)c1	767776907	YUUHTWLASLPMBE-UHFFFAOYSA-N	418.902	3.688	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCc4sccc43)cc2F)CC1	771340726	XLTVGPNKXNFHOX-SFHVURJKSA-N	401.551	3.765	10	20	HHCD	
CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1	775259393	ISAHQZWNVHYKJA-LAUBAEHRSA-N	413.587	3.771	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(Br)cc(Br)c2)c1	773478066	YWXYAESHBVIFIB-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
C[C@]1(CCCO)CCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	776131350	ILLACMUJRPHRBX-OAQYLSRUSA-N	411.493	3.593	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1	777668208	UDHFVPRNDVOOQN-UHFFFAOYSA-N	419.484	3.798	10	20	HHCD	
CN(C)S(=O)(=O)c1cccc(NC(=S)NNc2ccc(C(C)(C)C)cc2)c1	779728968	ZCCCQUQSJDRBJO-UHFFFAOYSA-N	406.577	3.548	10	20	HHCD	
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	782896649	SFUMTRBWBXEKDN-UHFFFAOYSA-N	423.513	3.959	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	789459836	QYQZROJOIMORCM-QFIPXVFZSA-N	405.498	3.702	10	20	HHCD	
C[C@@H]1C(=O)CC[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1(C)C	780935827	LQQGWGNCNAQVGJ-ZTFGCOKTSA-N	406.954	3.768	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1	782189322	QLIHQCYPCHHVBG-RIYZIHGNSA-N	420.899	3.693	10	20	HHCD	
COc1ccc(CNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c(O)c1	794383297	KUPJYCUVTVBYRS-UHFFFAOYSA-N	417.531	3.843	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3ccncc3Cl)ccc21	791841582	GYOQQJQUDXJAMS-UHFFFAOYSA-N	400.862	3.993	10	20	HHCD	
Cc1cnn(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F	795588754	ZMHQXSCERZKCKM-UHFFFAOYSA-N	407.854	3.553	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CCN(C4CC4)C3)cc2Cl)C1	799940013	RLXJDNIVTOGYNW-WMZOPIPTSA-N	404.986	3.860	10	20	HHCD	
Cc1c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)sc2cccc(F)c12	1319127107	PGZRXTPXEJNEIW-UHFFFAOYSA-N	414.505	3.521	10	20	HHCD	
Cc1nc(N(C)C)sc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	1262174465	VNZBSXQCPBGYAK-UHFFFAOYSA-N	400.470	3.788	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2=COCC2)C3)cc1	1800514732	ASNKBHAIVAYNFB-UADZTWIMSA-N	419.525	3.650	10	20	HHCD	
COc1ccc(-n2ccnc2SCC(=O)NCc2ccc3c(c2)CCCN3C)cc1	116167088	HGIAEYHWDXPBSB-UHFFFAOYSA-N	422.554	3.672	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)SC1=S	40888688	PIKALXNOVMMFIR-WJDWOHSUSA-N	409.529	3.637	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc(OC)c1OC	803106057	UGLXNDKRJXYBCM-YSIASYRMSA-N	416.562	3.968	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H](Cn1ccccc1=O)c1ccccc1	800763077	QBXKAJKVIWZUJC-QFIPXVFZSA-N	417.509	3.673	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1	807671510	RRWGOELHJREDMA-HSZRJFAPSA-N	417.509	3.740	10	20	HHCD	
Cc1nc(Cl)ccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	808525701	FPNGHMBDGJGSLW-UHFFFAOYSA-N	410.864	3.876	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c(Br)c1	472790790	OUAGBPLVQYBZSH-UHFFFAOYSA-N	414.303	3.813	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccccc2CC(F)(F)F)n(C)c2ccccc12	472813040	VCPUXLDFNORHJB-UHFFFAOYSA-N	403.404	3.846	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1	801624210	FHIPRUOVZJNFKR-UHFFFAOYSA-N	420.531	3.650	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3nc(-c4cnn(C)c4)ccc3=O)c2C)cc1C	809966563	GIBIXECGIIPOJG-UHFFFAOYSA-N	415.497	3.551	10	20	HHCD	
Cc1cc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n(C)n1	803465642	IYELJSRFOYCHDN-UHFFFAOYSA-N	401.308	3.829	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)SCC(=O)N4)c2)CC1	810831002	JGMSIYCASZPNEA-UHFFFAOYSA-N	410.543	3.514	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3Cl)cc2F)C[C@@H](C)O1	816891161	KESYVIUUMXUBKO-BETUJISGSA-N	421.856	3.931	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCC2CCC(C(F)(F)F)CC2)n(C)c2ccccc12	488145536	NIGKIUMWIZLXSE-UHFFFAOYSA-N	409.452	3.588	10	20	HHCD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(Cl)c(F)cc1O	816482276	ZWKVIKKPXMLITP-KRWDZBQOSA-N	423.868	3.864	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(F)(F)[C@@H](CO)C1	813017357	KEGGOUYHNLNYHA-CQSZACIVSA-N	402.401	3.517	10	20	HHCD	
COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccc(OC)cc1	729385226	CTENKQVODIZAOA-NRFANRHFSA-N	410.445	3.886	10	20	HHCD	
CCC[C@@H](C)N1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1=O	728838842	PZKFQNJPIRSUKN-WBVHZDCISA-N	413.484	3.681	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3cnc(-c4ccccc4)nc3)SC2=S)cc1	726626920	IICIJAVULJJBPP-YVLHZVERSA-N	418.503	3.648	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1	728837109	OAIGCPGDHMEMKY-IBGZPJMESA-N	405.420	3.837	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(N3CCOCC3)cc2)cc1	728837639	VWQNWYSVWFYTHY-UHFFFAOYSA-N	421.463	3.794	10	20	HHCD	
O=C(NCCN1CCc2sccc2C1)N(Cc1ccco1)Cc1ccccc1O	726236028	BEHZDIXAERFWQD-UHFFFAOYSA-N	411.527	3.817	10	20	HHCD	
COC[C@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1	733178038	ZKWINIJFXUYOOX-HNDQUVLASA-N	424.613	3.615	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	735432356	KHURUVKVOSPDNF-UHFFFAOYSA-N	403.866	3.538	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)NCc3ccc(N4CC=CC4)cc3)n2)c1	743623124	GLIOJDNIAIAYJO-INIZCTEOSA-N	419.485	3.682	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cncn1-c1ccccc1	742799548	YZTMRAURKPYPMV-MRXNPFEDSA-N	412.440	3.873	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@@H](Cc3ccccc3)[C@H]2C)c1	747467616	KVHORNRUFMQELE-KNQAVFIVSA-N	422.569	3.880	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O	740483999	KCCSOLPDLDIFCP-SFHVURJKSA-N	401.894	3.773	10	20	HHCD	
CN1CCCc2cc(CN/C=C3\C(=O)N(c4ccccn4)C(=O)c4ccccc43)ccc21	746691374	VYUAMZRMPZICAY-XLNRJJMWSA-N	424.504	3.782	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cc2)C[C@H](C)O1	741065031	NPCPNGVJKZFXPZ-OALUTQOASA-N	406.530	3.998	10	20	HHCD	
Cc1nnc(-c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc2)o1	742246286	UHVVKYXRAUYBFN-GASCZTMLSA-N	424.476	3.728	10	20	HHCD	
Cc1ccc(F)c(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742335249	ZHFUJNHWWZVGEZ-AWEZNQCLSA-N	414.449	3.683	10	20	HHCD	
CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	746364067	MITCIPBTXQHHDI-QGZVFWFLSA-N	411.550	3.686	10	20	HHCD	
CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	747558323	FSIDKIUJCCKVML-UHFFFAOYSA-N	423.561	3.501	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(N2CCOCC2)cc1	741269250	FJNMEBKLKRKOTA-CVDCTZTESA-N	419.529	3.521	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(F)c1	748832475	KLFLVZSHPXLEMD-OAQYLSRUSA-N	400.494	3.686	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(Br)cc1O	756776249	AKBOLXBJXPUBNB-KBXCAEBGSA-N	403.320	3.997	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)cc(F)c1O	757654926	DEISHKIDVJOWHZ-YVEFUNNKSA-N	422.298	3.531	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@H]1CCCC[C@@H]1C	751918498	HFKZCLYNZYYHFU-ZQIUZPCESA-N	401.532	3.556	10	20	HHCD	
O=C(NCc1cc2c(cc1OC(F)F)OCO2)NCc1c(O)ccc2c1CCCC2	756961642	SCBCQAXUJCZGJJ-UHFFFAOYSA-N	420.412	3.601	10	20	HHCD	
CC1CCN(S(=O)(=O)Cc2ccccc2CNCc2cc(Cl)ccc2O)CC1	756043893	DNAPPJGYQMACNY-UHFFFAOYSA-N	422.978	3.897	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1[N+](=O)[O-]	757657795	XOFKNLCWFSUZMA-UHFFFAOYSA-N	409.364	3.734	10	20	HHCD	
COc1cc(C2=N/C(=C/c3ccc4c(c3)CCN4C)C(=O)O2)ccc1OC(F)F	751522751	INHDXQAVIYIZST-XNTDXEJSSA-N	400.381	3.633	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1c(F)cccc1F	751918954	JAAYQVLQACCFGG-NSHDSACASA-N	417.437	3.778	10	20	HHCD	
Cc1ccc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(O)c1	756447328	UMOZYCMIDQBFJC-SFHVURJKSA-N	421.520	3.807	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1	753024029	ANDFHQPFEPRUKI-JOCHJYFZSA-N	416.525	3.719	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(Cn2ccnn2)CC1	753478179	NEXXYXFSYALATP-UHFFFAOYSA-N	417.473	3.571	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccnc(OC2CCCC2)c1	760998615	GQTMAKVETVRKGI-UHFFFAOYSA-N	415.877	3.726	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H]3CSCCN3Cc3ccccc3)CC2)cc1	760015766	HDVSTXDDFHMONM-HSZRJFAPSA-N	411.615	3.871	10	20	HHCD	
COc1cc2c(cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)NC(=O)CC2	767951455	AALGZAIQHLDGAK-UHFFFAOYSA-N	408.502	3.842	10	20	HHCD	
CCOc1ccc(CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c(O)c1	768818901	ZOTFZTFUOFDTPB-KRWDZBQOSA-N	408.502	3.720	10	20	HHCD	
Cc1cc(O)c(CNCc2ccc(Br)cc2N2CCOCC2)cc1C	769928494	RLXBUXZHXJOEMU-UHFFFAOYSA-N	405.336	3.898	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)CC(F)(F)F)c(C)n1-c1ccc(Br)cc1	771194991	GGQJRNKEELJVHA-ZDUSSCGKSA-N	419.241	3.900	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1	773042041	DDZIEWXOEUGTOB-INIZCTEOSA-N	419.547	3.521	10	20	HHCD	
COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	776751321	SQTFLBOAYYNBOI-UHFFFAOYSA-N	406.685	3.926	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	774907673	DQIBSCGWWSPDQH-UHFFFAOYSA-N	410.224	3.993	10	20	HHCD	
C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1cc(Cl)c(Cl)cc1O	774169486	QUZSQOIJAZQFID-ZDUSSCGKSA-N	410.345	3.841	10	20	HHCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCO1	778750834	CSDMOMIUFQERPT-GMAHTHKFSA-N	417.594	3.678	10	20	HHCD	
CCN(CCC1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1)CC1CC1	771424592	WJFYSQGIHCYVGT-UHFFFAOYSA-N	404.574	3.935	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCSc2c(F)cccc21	788458722	FZFLOOULNYZCLB-KRWDZBQOSA-N	402.491	3.623	10	20	HHCD	
CCNC(=O)Nc1cccc(NC(=O)NCc2cccc(Br)c2O)c1C	788736617	YYHLJWWHBQHLJQ-UHFFFAOYSA-N	421.295	3.926	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1	788544677	DCMIDWHRTDFXNE-UHFFFAOYSA-N	422.554	3.635	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc1	788966416	UKAMPBRAFWNJCP-HNNXBMFYSA-N	403.473	3.647	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)c1ccco1	785550711	MXOHOTOXVWLMIB-JOCHJYFZSA-N	405.498	3.600	10	20	HHCD	
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c1	782261582	PNWRUBDQTQHYJH-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1CS(C)(=O)=O	782742619	FJOMBNNHEYRQSV-UHFFFAOYSA-N	403.548	3.740	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	798087699	PPEKUNXPSFZNJZ-IINYFYTJSA-N	415.209	3.927	10	20	HHCD	
CC(C)c1nccn1Cc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1	799184278	BQZBAIQORZFMGI-UHFFFAOYSA-N	413.528	3.860	10	20	HHCD	
O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1O)C[C@H]1CCCO1	790667454	BELSMLPKPVKNRD-OAHLLOKOSA-N	422.840	3.843	10	20	HHCD	
COc1ccc(-c2nc(Sc3ncc([N+](=O)[O-])s3)n[nH]2)cc1Br	799958665	JJBHAICVPXRBNL-UHFFFAOYSA-N	414.266	3.759	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(F)cc1C	790402056	BTVOLZKWWPYLCA-UHFFFAOYSA-N	402.241	3.606	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CC4(CCC4)c4ccccc43)cc2)C1	790237242	KLHVNRPXVKXCCY-IBGZPJMESA-N	418.541	3.540	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cl)cc1SCC	1320520480	ZQCBYUQMFPAJTQ-HNNXBMFYSA-N	423.918	3.767	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3CCCc4cnn(C(C)C)c43)CC2)cc1F	1254945587	UIUUNSYEFSVOHV-IBGZPJMESA-N	415.513	3.521	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c(O)c1O	110000706	JUEVCVIMQWHTOE-GOSISDBHSA-N	415.442	3.669	10	20	HHCD	
Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n(Cc2ccccc2)n1	65453752	VHRPWDXXTREESW-LJQANCHMSA-N	419.529	3.959	10	20	HHCD	
O=C(c1cccnc1NCc1ccc(N2CCC(CO)CC2)cc1)N1CCCCC1	301361180	ODPOFRXNTUNFMU-UHFFFAOYSA-N	408.546	3.529	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2oc(O)nc2c1	805186583	MPPLQADCPIWPPJ-ZDUSSCGKSA-N	403.385	3.534	10	20	HHCD	
O=C(NCCn1ccc2cc(Cl)ccc21)NCc1ccc(N2CCOCC2)cc1	804975160	HJPBGDGMHGYXBB-UHFFFAOYSA-N	412.921	3.631	10	20	HHCD	
CC[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1cc(Cl)cc(Cl)c1O	806133327	LEHJLYCSPNPQFD-WMZOPIPTSA-N	405.391	3.948	10	20	HHCD	
CC[C@H](NCCNS(=O)(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1O	806133510	AGXBIDCEKYABBY-INIZCTEOSA-N	403.331	3.718	10	20	HHCD	
NC(=O)c1ccc(NCc2cccc(Br)c2O)c(OCC(F)F)c1	811515739	GFRUXCRUNHLQKS-UHFFFAOYSA-N	401.207	3.510	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](N[C@H](c3nc[nH]n3)c3cccs3)C2)cc1	815584852	QRAKJFXAAYIDJZ-DYVFJYSZSA-N	405.474	3.816	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cnn(-c4ccc(F)cc4)c3)SC2=S)cn1	728312783	WLYCLKIFIWBUJM-LZYBPNLTSA-N	412.471	3.821	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3ccc(CSC)cc3)CC2)cc1	727595981	VPUNEKSRGKHAPL-UHFFFAOYSA-N	414.575	3.502	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cc1	727785539	FOXLLAAIGPGOOD-QGZVFWFLSA-N	415.456	3.655	10	20	HHCD	
COC(=O)Nc1ccccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	733145067	MZPKCPRZCMHWNB-UHFFFAOYSA-N	419.428	3.865	10	20	HHCD	
C[C@@H]1c2c(F)cccc2CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	738974347	GOKVKYRKAYDOHT-OAHLLOKOSA-N	415.484	3.755	10	20	HHCD	
COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cc(OC)ccc2O)cc1	734017346	DZGGDLMZSQKZAB-UHFFFAOYSA-N	406.438	3.592	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC(n4ccnc4)CC3)c2C)cc1	732204994	WYJXHRZMFPUANH-UHFFFAOYSA-N	420.513	3.597	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2[nH]ncc12	736993229	IVGUXAYEIDRKHU-HUUCEWRRSA-N	411.481	3.946	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(OC)c(NC(C)=O)c2)cc1F	731398166	BFPAVJSTVUFCLX-UHFFFAOYSA-N	402.470	3.961	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)NCC3(c4ccccc4)CCCC3)CC2)cc1	917088387	UCEGPAQGPZFTOC-UHFFFAOYSA-N	421.585	3.836	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(CC(F)(F)F)c1	743162009	VBRXWFKZVRLHOB-UHFFFAOYSA-N	421.217	3.968	10	20	HHCD	
COc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cc2)c1	918245758	DOALVCMISFIYFC-UHFFFAOYSA-N	419.481	3.808	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCN(c2ccncc2)CC1	918312980	UQTXGNATTXIWQQ-UHFFFAOYSA-N	414.469	3.784	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)CC2)cc1	918369026	FXYIVJRITSDWJJ-UHFFFAOYSA-N	409.530	3.839	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	915083998	UNQBBSBMNBLYDF-IBGZPJMESA-N	411.933	3.605	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(Br)c[nH]1	742801376	QHIGSHMTNVVDLZ-GFCCVEGCSA-N	414.250	3.777	10	20	HHCD	
CC(=O)N(C)CC(=O)OCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	914922734	QZRNUMCUUBXTEK-UHFFFAOYSA-N	411.285	3.605	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCCOc3cccc(C(C)=O)c3)CC2)cc1	746777793	WRHSYTWATQAAGC-UHFFFAOYSA-N	410.514	3.796	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2c(Cl)cccc2C1	740468647	MFSYSVPNLWXEHQ-UHFFFAOYSA-N	417.912	3.708	10	20	HHCD	
O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)NC(=O)c1ccccc1	744550139	FHYVPYCFFJAJNW-UHFFFAOYSA-N	403.394	3.921	10	20	HHCD	
COC(=O)COc1cccc(CN[C@H](C)c2cc(Br)c(F)cc2O)c1	756711428	JXUTZJSCBBXAGM-LLVKDONJSA-N	412.255	3.696	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1O	750817592	QIRCNKICDPSCMM-UHFFFAOYSA-N	424.394	3.711	10	20	HHCD	
C[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1O	756554869	JUSZXPOHZNDPNO-LLVKDONJSA-N	404.315	3.832	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@@H]1CCCC[C@H]1C	751918489	HFKZCLYNZYYHFU-JKIFEVAISA-N	401.532	3.556	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(OCCOC)c2ccccc2n1	758774869	HSQDLLOFQLCQJN-UHFFFAOYSA-N	407.514	3.988	10	20	HHCD	
CCN(CC(F)F)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	754537032	FQTUYTLAUUYTLM-XFXZXTDPSA-N	404.529	3.843	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)Cc3cc(Cl)cn3C)cc2F)C[C@@H](C)O1	757633462	AFOCYZQTPAMPAW-HUUCEWRRSA-N	422.932	3.773	10	20	HHCD	
COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	753830740	MUDCGLNDFFUJEZ-UHFFFAOYSA-N	424.950	3.792	10	20	HHCD	
C[C@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1	765602305	MSNMMBSXINUIRB-ROUUACIJSA-N	421.557	3.960	10	20	HHCD	
C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCOCC2)c(F)c1	765252987	UUUNGHUNORXITF-GOSISDBHSA-N	411.521	3.636	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)cc2)CC1	762291526	LRTPTJKQRBEYDN-NRFANRHFSA-N	412.578	3.513	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@H](c2ccccc2)N(C)C)cc1	764458873	BXAOXFYLXJYWSN-BJKOFHAPSA-N	409.574	3.953	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(I)ccc2F)c1	762537271	PDDPUSVUHXTNFF-SECBINFHSA-N	415.202	3.636	10	20	HHCD	
CCN(Cc1ccc(N(C)C)c(F)c1)Cc1nc(O)c2cc(OC)c(OC)cc2n1	768163913	UVTPVGVKRISWDW-UHFFFAOYSA-N	414.481	3.580	10	20	HHCD	
COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1	767714178	FPOYMOZSNYGZSO-UHFFFAOYSA-N	418.496	3.563	10	20	HHCD	
O=C(Cc1ccc(-n2cccn2)cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768915790	NBGMSOKIEWMAQI-FQEVSTJZSA-N	424.932	3.555	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC	762552600	KXVYZVMYTQEHOI-GOSISDBHSA-N	411.546	3.982	10	20	HHCD	
Cc1ccc(C)c(-n2ncc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2C)c1	772433767	KIDXBZUBHRWESE-UHFFFAOYSA-N	404.514	3.564	10	20	HHCD	
C[C@@H](CSCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	773038396	QCWVGZFHGNXBFC-KRWDZBQOSA-N	402.535	3.848	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)cc1	772918673	NZMGLOHXUJNMCO-UHFFFAOYSA-N	418.950	3.950	10	20	HHCD	
CCc1nc2ccccc2n1C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1	772378390	MNLKZKKNTXUITR-UHFFFAOYSA-N	419.573	3.618	10	20	HHCD	
C[C@H](c1ccccc1)N(CC1=Nc2ccccc2S(=O)(=O)N1)Cc1ccccc1O	776009423	JIHLXXOXGQAJHQ-QGZVFWFLSA-N	421.522	3.978	10	20	HHCD	
CCCNC(=O)CN1CCC(N[C@H](CC)c2ccc(Cl)c(Cl)c2O)CC1	775491963	JNYKVKXJEPTGTH-MRXNPFEDSA-N	402.366	3.730	10	20	HHCD	
C[C@@H](NCCOc1cccc(C(F)(F)F)n1)c1ccc(N2CCOCC2)c(F)c1	773113891	GQURLTUNZRDZHF-CQSZACIVSA-N	413.415	3.806	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F	783138022	OBRARYCFKGWCFE-INIZCTEOSA-N	417.437	3.923	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1nc2c(s1)CCC2)c1ccc(N)cc1	789753138	ZUBCNIAOEFMDJA-AWEZNQCLSA-N	406.511	3.947	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2	788768092	AMAGRCOQSYBYFG-LJQANCHMSA-N	401.551	3.747	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1c[nH]nc1-c1cc2ccccc2o1	780454886	RYXDMFZMLXQYID-UHFFFAOYSA-N	402.454	3.590	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	782189613	UKAHEDLVZDDEGG-IVGCHVNVSA-N	403.525	3.628	10	20	HHCD	
CC(C)(C)Cc1nc(-c2cccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c2)no1	783854546	GPPAAMURQSPIMN-UHFFFAOYSA-N	410.426	3.776	10	20	HHCD	
Cc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(N2CCCC2)cc1	793042430	NYSCTGTUULVCIH-UHFFFAOYSA-N	413.319	3.935	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@@H]2F)C3)cc1	1800512841	ALJQHYFRQMAGER-BLCKVISQSA-N	409.505	3.704	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc2sc3ccccc3n12	18473898	QGWBLUUUYZZABB-UHFFFAOYSA-N	411.556	3.761	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1	109109637	ZXSLTHBLEZSNKN-FQEVSTJZSA-N	401.938	3.684	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	116534085	UHGOQYHZGMADIM-UHFFFAOYSA-N	416.543	3.619	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCOC3CCCC3)cc2F)C[C@@H](C)O1	145256840	SFYWMENIEWKKKI-CALCHBBNSA-N	407.530	3.588	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1F	303338665	CSMOHLDRMJQNSM-UHFFFAOYSA-N	417.872	3.637	10	20	HHCD	
COC(=O)c1cc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1OC	726096042	NKKWAAZBUJWPPJ-UHFFFAOYSA-N	424.453	3.692	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)COc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1	726239655	NOXQGCRXGIBWMK-CVEARBPZSA-N	419.472	3.629	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)CC2)cc1	726710372	WSFVHIUFFOOBOW-DHIUTWEWSA-N	409.530	3.884	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCc1nnc2n1CCCCC2	727608012	YFGYHTXHAIHXOR-UHFFFAOYSA-N	424.593	3.769	10	20	HHCD	
CC(C)CC(=O)N1CCC(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	731049686	KGNDTXHDMCKYDJ-UHFFFAOYSA-N	414.594	3.759	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)c1	731366463	SGPVFHVREJPWON-AWEZNQCLSA-N	410.474	3.568	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1	732114382	GAIUQZKDOOQKDC-IBGZPJMESA-N	423.557	3.941	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1C	734405051	RSDIAVYFYDIMLA-GAJHUEQPSA-N	407.558	3.677	10	20	HHCD	
COc1ccccc1-c1nn(C)cc1C(=O)NCc1ccc(N2CCSCC2)cc1	740817162	BBMDYOIDRAEXGD-UHFFFAOYSA-N	422.554	3.579	10	20	HHCD	
C[C@@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCCC2	741736183	OQOLUEVFPRDSIU-HXUWFJFHSA-N	421.585	3.711	10	20	HHCD	
COc1cc2cc(C(=O)NCc3c(O)ccc4c3CCCC4)[nH]c2c(OC)c1OC	743718354	NFGRUHCSSHTCLC-UHFFFAOYSA-N	410.470	3.708	10	20	HHCD	
Cc1ccc(-c2nc(CNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)co2)cc1	745930827	QJYCCIQYOBEHRN-UHFFFAOYSA-N	420.513	3.828	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc2c(cnn2C(F)F)c1	747394236	LFDVDGHEEUHTMC-UHFFFAOYSA-N	401.417	3.590	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(Cl)cn1	751930765	JYMLZEJCCLCWTH-NSHDSACASA-N	416.890	3.549	10	20	HHCD	
CC[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OC)cc1	752026152	KQSAYFYATBRYHA-SFHVURJKSA-N	414.521	3.996	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc1C	754553181	RVPHKQOTDCFVPV-UHFFFAOYSA-N	414.417	3.594	10	20	HHCD	
CCc1nc([C@@H](C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1	754793377	PPKDMAKANMPWEQ-CYBMUJFWSA-N	419.506	3.770	10	20	HHCD	
C/C(=C/c1ccccc1Cl)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	755608668	MLDZWDMECRBRAT-XCTGESOMSA-N	411.933	3.761	10	20	HHCD	
CCCc1cnc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1	756077988	XOMGEIBSKUDCLR-UHFFFAOYSA-N	400.548	3.683	10	20	HHCD	
CC(C)[C@@H](CN[C@@H](C)c1cc(Br)cc(Cl)c1O)N1CCOCC1	756368692	RARUQXMGMHICFC-BLLLJJGKSA-N	405.764	3.816	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1cc(Br)cc(Br)c1O	756488254	MGDMLONEUXYILB-DTWKUNHWSA-N	422.161	3.871	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCCOc2ncc(C(F)(F)F)cc2Cl)c1	756734783	ZLKGVWSTXJQESZ-JTQLQIEISA-N	418.799	3.976	10	20	HHCD	
C[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccc(Br)cc1O	756852135	YIUWNVMNJQWHRC-UGSOOPFHSA-N	418.335	3.778	10	20	HHCD	
CS(=O)(=O)CCn1ccc(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	758497958	VCROUCUVHWPDCS-UHFFFAOYSA-N	412.475	3.987	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3ccc(Oc4ccccc4)nc3)CC2)cc1	762216129	HQZZAERVSGTQPD-UHFFFAOYSA-N	419.481	3.610	10	20	HHCD	
CCc1cccnc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	767049705	YYUSMKBJBSRGSW-LJQANCHMSA-N	412.534	3.706	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)c2C)cc1	768956562	MOJYXHFFQIVQPY-JTSKRJEESA-N	400.544	3.887	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(OC)ccc1OC(F)F	769382048	SYCRKVPZLBFBHJ-UHFFFAOYSA-N	415.820	3.831	10	20	HHCD	
CN(Cc1cc(Br)ccc1O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21	770390268	XQNCYUKCPBFDIB-CQSZACIVSA-N	416.724	3.769	10	20	HHCD	
Cc1nc(NC2CC2)sc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771064597	JMOYZLVTXSSFLA-MRXNPFEDSA-N	420.966	3.779	10	20	HHCD	
COC(=O)c1cc2cc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)ccc2o1	771921440	QTMDPFJRELFAOP-UHFFFAOYSA-N	414.801	3.547	10	20	HHCD	
CCc1ccc(-n2nc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c3c2CCC3)cc1	773764238	YMRQBMJOLBUERT-HNNXBMFYSA-N	405.498	3.696	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1)c1ccc(N(C)C)cc1	773845918	KUCBTULVXUGMPN-INIZCTEOSA-N	404.470	3.756	10	20	HHCD	
CCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)Nc1cccc(N2CCCC2)c1	776344689	XEURQDAOVIPCHI-LJQANCHMSA-N	411.502	3.625	10	20	HHCD	
O=C(Nc1ccccc1C(=O)NCCc1ccc(O)c(O)c1)OCc1ccccc1	782014396	MWJAOHIFAGWOGD-UHFFFAOYSA-N	406.438	3.819	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3cc(Br)ccc3O)cn2)CCO1	783647756	RPHDRVFYNGKGMM-ZIAGYGMSSA-N	406.324	3.626	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC([C@@H]2CCCO2)CC1	784497839	IPEJUAVPUHLCGN-FQEVSTJZSA-N	423.504	3.857	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H](c2ccccc2)c2ccco2)C2CC2)cc1	785550149	LLCWUANLMBUHKZ-HSZRJFAPSA-N	417.509	3.742	10	20	HHCD	
Cc1cc(Br)cc(CNc2cccc(S(=O)(=O)NC3CC3)c2)c1O	792174029	DAKUGWUGSPQUJM-UHFFFAOYSA-N	411.321	3.516	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cc(Br)cc2c1OCC2	792702081	LBNYZRIAODQAPT-UHFFFAOYSA-N	416.318	3.612	10	20	HHCD	
CCCCNS(=O)(=O)c1cccc(NCc2cccc(Br)c2O)c1	796402044	OCNWBWGSJGMEPY-UHFFFAOYSA-N	413.337	3.845	10	20	HHCD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	798082656	ZKHWPESATKPVKS-XZOQPEGZSA-N	409.530	3.918	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(Cl)c1Cl	803664005	DOYVSUCTIASKSJ-NSHDSACASA-N	412.292	3.692	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1	807504924	FNHMKPHKFXFJCN-TZIWHRDSSA-N	411.521	3.693	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1nc(C)cs1)C1CC1	807627548	UIPNAIQPMXELHZ-GOSISDBHSA-N	401.532	3.553	10	20	HHCD	
CNC(=O)[C@H](CCSC)NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	807904939	UHKIKNOFWVCKOW-FQEVSTJZSA-N	401.576	3.815	10	20	HHCD	
O=C(Oc1ccccc1)N1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)CC1	808680368	KSZZORLRKLUWEV-NRFANRHFSA-N	409.530	3.666	10	20	HHCD	
COC(=O)c1ccc(CNCc2cc(Br)cc(Br)c2O)o1	809743067	QGHHSZCDXKEFCM-UHFFFAOYSA-N	419.069	3.587	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1C(=O)OC(C)C	811703836	IIBIDUIGXGJPOD-UHFFFAOYSA-N	421.515	3.992	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1	813883007	OPNUMJFVPHMHBX-ABVMBDCKSA-N	404.507	3.558	10	20	HHCD	
C[C@H](NCc1cc(Br)cc(Br)c1O)c1ccnc(O)c1	816638940	CDFIJJFFDAPOGS-QMMMGPOBSA-N	402.086	3.869	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(C(=O)NC4CC4)cc3)SC2=S)c1	912775500	KUZXLGXAYOMSHX-YVLHZVERSA-N	424.503	3.683	10	20	HHCD	
CO[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1	916457597	HNVCWBYYELDGPV-IBGZPJMESA-N	408.420	3.546	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1	917417025	GBXGHKGOHPMWLQ-UHFFFAOYSA-N	402.882	3.917	10	20	HHCD	
O=C(Nc1cc(Cl)ccc1Cl)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918294345	FWYLEQFPPRAPDQ-OAHLLOKOSA-N	423.296	3.845	10	20	HHCD	
C[C@H](Cc1ccsc1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	918666427	VRGAABXYLCFIIV-GFCCVEGCSA-N	420.446	3.793	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)cc1	918743469	KDYYBGXFSXEHTP-HNNXBMFYSA-N	423.604	3.612	10	20	HHCD	
CN(CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)Cc1ccccc1	1116149728	XESKPFNMAPIJEP-SFHVURJKSA-N	403.473	3.505	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3c(F)cccc3F)n2)cc1	1251530413	BRBPGUGMXMLASE-UHFFFAOYSA-N	423.466	3.525	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cc(OC)ccc3OC)CC2)cc1	1338846150	PEONWOQFIYYFRR-IRLDBZIGSA-N	410.514	3.555	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)C1CC2(CCC2)C1	1800719279	GDPYMVUVXBUGJI-MUJYYYPQSA-N	418.921	3.583	10	20	HHCD	
Cc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(C#N)cc1	303193608	MRGXXBXTRJNJPD-UHFFFAOYSA-N	403.442	3.716	10	20	HHCD	
C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1	237540414	MFDVJEGDVBDEDT-SFHVURJKSA-N	401.576	3.778	10	20	HHCD	
COc1ccc(C(=O)CCC(=O)NCc2c(C)c3ccccc3n2C)c(OC)c1OC	473292677	INSIIYBJBQDCNW-UHFFFAOYSA-N	424.497	3.792	10	20	HHCD	
CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1cc(C)n(-c2ccccn2)c1C	801112800	WFNHBZOWOONQEJ-UHFFFAOYSA-N	410.543	3.638	10	20	HHCD	
CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	804135992	XUOFDBKYSTYPGX-QFIPXVFZSA-N	407.558	3.773	10	20	HHCD	
CC(C)CCN(CCC(C)C)C(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	803311044	MBTVPRDYZJGECF-FQEVSTJZSA-N	417.594	3.621	10	20	HHCD	
COCCOCc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc1	809144872	SYSZZMKZTRXYHN-RGEXLXHISA-N	414.552	3.689	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(-c3nnc(O)c4ccccc34)n2C)cc1	800763796	WACSFVRZDXSGIY-UHFFFAOYSA-N	417.517	3.614	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCC2(CCO2)CC1	800654259	LSPIQVZDKMNYDD-SQFISAMPSA-N	422.597	3.511	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)cc1F	813446206	VMLRSPZALFWIES-NRFANRHFSA-N	412.509	3.985	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c2c(c1)C[C@H](C)O2	727861067	PDZNOOXPHJABNM-CYUIRQCWSA-N	412.536	3.858	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)c1O	727839771	DHMOMFLOUYCERJ-UHFFFAOYSA-N	421.379	3.630	10	20	HHCD	
CN(C)S(=O)(=O)CCCSc1ncc(-c2ccccc2)n1Cc1ccco1	728441283	HHYOBNOWAZSKHL-UHFFFAOYSA-N	405.545	3.565	10	20	HHCD	
CC(=O)c1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1	731989719	RHBRKRRYVMMUEW-UHFFFAOYSA-N	401.466	3.633	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(CS(C)(=O)=O)cc2)cc1F	731399045	OTQWDMUHKGCUBK-UHFFFAOYSA-N	407.511	3.538	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(OC)c(OC)cc3F)CC2)cc1	730666583	FCMLYVNPHLMFGR-UHFFFAOYSA-N	403.454	3.642	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1F	731363615	JZDFREOVBXTIPP-OAQYLSRUSA-N	409.509	3.994	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)OC(C)(C)O4)cc2)CC1	731132028	YEBPPPHPYQJORO-UHFFFAOYSA-N	423.513	3.685	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(Cl)c1	736231134	KAOJSWLQNGVISQ-SFHVURJKSA-N	415.965	3.978	10	20	HHCD	
CC(C)OC1CCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	730571101	SBEFIAUATADGIP-MRXNPFEDSA-N	420.509	3.678	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2c(C)nc(C)nc2O)cc1	732115107	RHFBCTKKAWOBGP-UHFFFAOYSA-N	420.513	3.650	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)c1	734065192	QZPAVFINAFEQOI-NSHDSACASA-N	409.280	3.732	10	20	HHCD	
Cc1ccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)c1	917711719	UZHIAMIGBHYNJU-HDICACEKSA-N	400.494	3.751	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	734217838	MYKFFTJFNAJRQN-SFHVURJKSA-N	404.555	3.684	10	20	HHCD	
C[C@@H]1CCCN(C(=O)CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)C1	731035980	COHFIQFDVGQZBG-QGZVFWFLSA-N	401.551	3.722	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2F)C[C@H](C)O1	917713583	SJKLDOUCNSBHCW-STQMWFEESA-N	421.856	3.931	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)C2CC2)cc1	749632811	ITQHJWCBVLXWIE-UHFFFAOYSA-N	414.937	3.602	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1F	917998242	DYTMSJXYFPDNLQ-IYBDPMFKSA-N	403.473	3.886	10	20	HHCD	
O=C(c1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)c1cc[nH]c1	748849535	QBVLMIAEEWYHPU-OAQYLSRUSA-N	404.466	3.773	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)C2CC2)cc1	918456994	QNDSRPIITUYGCL-UHFFFAOYSA-N	418.497	3.901	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCn1c(S)nc2ccccc2c1=O	918659291	XXPBYSLWUCBUQG-UHFFFAOYSA-N	424.570	3.579	10	20	HHCD	
CC(C)C[C@@H](CCO)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	745800629	SIHJYADVUCSAMJ-MRXNPFEDSA-N	413.509	3.601	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Oc1ccccc1F	745891920	IQQVPHQZMQDCDA-AEFFLSMTSA-N	402.466	3.689	10	20	HHCD	
COc1cccc(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1O	742382973	QBGDEERAUWJXTB-NRFANRHFSA-N	415.486	3.823	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CC[C@@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCCO2	914972399	QQZSMEAYQIGPGF-SFHVURJKSA-N	413.470	3.550	10	20	HHCD	
COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	747858776	YVDQVYOGMSIDAD-OAHLLOKOSA-N	415.509	3.605	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1	917955107	SGFRFTRMPJYOTD-SFHVURJKSA-N	412.509	3.794	10	20	HHCD	
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1	743579567	VHMICLAJUNEDOB-KRWDZBQOSA-N	409.530	3.605	10	20	HHCD	
CC1(C)CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@H]1c1ccccc1	919911344	OYYIPVBEJHESOT-IRLDBZIGSA-N	420.557	3.681	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)cc1	741416204	FQYKFSKJXSVQEL-UHFFFAOYSA-N	422.533	3.668	10	20	HHCD	
CCCCO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1(C)C	748959195	JLFVFCFDAQNOLI-VXKWHMMOSA-N	417.594	3.678	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1	750861846	JHWGKSGHQBTYHF-MRXNPFEDSA-N	404.532	3.521	10	20	HHCD	
COc1ccc(C(F)(F)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	857473302	WJMUJCRIODFOPC-QGZVFWFLSA-N	424.875	3.927	10	20	HHCD	
COCCc1noc(CN(C)C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)n1	758854346	SHGMQPLMEIFOLZ-UHFFFAOYSA-N	416.909	3.521	10	20	HHCD	
CC(C)n1nnnc1-c1ccccc1NC(=O)NCc1c(O)ccc2c1CCCC2	753045342	BHGPIDZKEZKREB-UHFFFAOYSA-N	406.490	3.827	10	20	HHCD	
C[C@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1cc(Br)ccc1O	756535542	NKXZZANPDSCOIS-JXFKEZNVSA-N	418.379	3.794	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@@H](C)[S@](=O)CC3)c2C)c1	759867093	INUIBLGYRRNGEC-CHAGWJKLSA-N	404.601	3.842	10	20	HHCD	
C[C@@]1(NCc2cc(Br)cc(Br)c2O)CCO[C@@H]1C1CC1	753596084	SZZYDCNJWUVQOJ-HUUCEWRRSA-N	405.130	3.964	10	20	HHCD	
COc1cc(C)c(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OC	751292809	ZVZTUHAGGSQYBH-YVLHZVERSA-N	414.508	3.517	10	20	HHCD	
COC(=O)c1ccc(CCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1	751308219	SURKIAYXDSZDRI-UHFFFAOYSA-N	400.438	3.754	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1	756044586	GHEPFSOXNQKXEI-DNQXCXABSA-N	405.546	3.581	10	20	HHCD	
CCOc1ccc(CNCCc2cn3cc(Br)cc(C)c3n2)c(O)c1	757965283	PGBUWXTURUJKMA-UHFFFAOYSA-N	404.308	3.842	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnc1Cl	760093138	UJGUKWBKHRAMED-UHFFFAOYSA-N	400.910	3.631	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cn1	769665993	HABORUBRHDNLRN-UHFFFAOYSA-N	423.903	3.754	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)/C=C\c3ccc4[nH]ccc4c3)cc2F)CC1	765780512	AOHQQPAVLCTTIO-YVMONPNESA-N	406.505	3.779	10	20	HHCD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	763009747	LWBILBUUJKMIQJ-LLBVYWAGSA-N	420.557	3.511	10	20	HHCD	
C[C@@H](N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	766137552	LBHPIFGKXCGCBH-DNVCBOLYSA-N	407.530	3.616	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cn3cc(Br)cc(C)c3n2)c1	760881676	QVMVCVHRMVIOMB-LBPRGKRZSA-N	418.291	3.748	10	20	HHCD	
COc1cc(NC(=O)c2ccco2)c(C(=O)N(C)Cc2ccccc2O)cc1OC	769281263	VLEDJRYKUCQETE-UHFFFAOYSA-N	410.426	3.527	10	20	HHCD	
COc1ccc(C(=O)CCC(=O)NCc2cccc(Br)c2O)cc1F	765752491	WXDFVAKNESFANS-UHFFFAOYSA-N	410.239	3.582	10	20	HHCD	
CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C12CCC2	764357358	UDRVRXCTSWQIIM-JRGCBEDISA-N	401.551	3.573	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cc(I)ccc1F	762208947	YODCUSGXYNPVPN-UHFFFAOYSA-N	422.288	3.799	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1	769673862	JFYDEXBHRTVWBT-UHFFFAOYSA-N	413.455	3.548	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2ccc(F)cc2Br)SC1=S	767718320	SYMPRQWIVJOYHR-IZZDOVSWSA-N	404.282	3.654	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3CC(=O)c3ccco3)c2C)cc1	763002551	PWXMYWRQNXHOAO-LJQANCHMSA-N	422.481	3.810	10	20	HHCD	
COCc1ccc([C@@H]2CCCN2C(=O)NC2CCN(c3ccc(OC)cc3)CC2)o1	768325429	HCGVYRYPUGZZEJ-NRFANRHFSA-N	413.518	3.950	10	20	HHCD	
Cc1cc(Br)cn2cc(CN[C@@H](C)c3cc([N+](=O)[O-])ccc3O)nc12	760880426	JSENJFABPFGBBD-NSHDSACASA-N	405.252	3.870	10	20	HHCD	
OC[C@H](CNCc1ccc(N2CCCC2)cc1)Cc1ccc(Br)cc1	1116764148	AMKUWEBBXTYCSH-IBGZPJMESA-N	403.364	3.990	10	20	HHCD	
C[C@H](NC(=O)N1CCC(Cc2cccnc2)CC1)c1ccc(N2CCOCC2)cc1	770760436	GAERBWXJBNISTR-IBGZPJMESA-N	408.546	3.644	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N2CCOCC2)c(F)c1	773010443	KYBGXJDWLRLNIN-MGPUTAFESA-N	417.912	3.772	10	20	HHCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccncc2)cc1	779519885	FOOADRJXXUENRG-RUGXIKGKSA-N	403.438	3.636	10	20	HHCD	
COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)N2CCCC2)c1	776099692	CWDDTDFKAIHTAK-JPYJTQIMSA-N	410.562	3.959	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CCCCCC1)c1ccc(N(C)C)cc1	773848571	SOYHXRYAMNSOQE-GOSISDBHSA-N	408.546	3.949	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCc1cn2ccccc2n1	773740450	MFOPTJNRICJPFZ-MRXNPFEDSA-N	417.465	3.686	10	20	HHCD	
CS(=O)(=O)c1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)s1	786874238	KQGRJBUVBKNARM-UHFFFAOYSA-N	422.572	3.902	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)cc1	780783241	AWNTUPVIMOPNCX-JTHBVZDNSA-N	424.541	3.640	10	20	HHCD	
COc1ccc(O)c(CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c1	786852866	XLSMZECLXUPCKQ-UHFFFAOYSA-N	411.907	3.712	10	20	HHCD	
CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789861161	QAMCXAZOIOHHES-TZIWHRDSSA-N	417.619	3.577	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F	783134380	XTGSOSBLKAFCEV-CQSZACIVSA-N	416.453	3.723	10	20	HHCD	
CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788938458	RXMVJGYLWIRODU-UHFFFAOYSA-N	420.340	3.868	10	20	HHCD	
OC[C@H](C[C@@H](O)c1ccccc1)NCc1ccc2c(c1)CCN2Cc1ccccc1	796338831	PZWVKHJBFBYHJM-AZGAKELHSA-N	402.538	3.824	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C(=O)O)c2cc(F)ccc2F)cc1F	797720318	VQPRRZXSGJVSKH-SFHVURJKSA-N	409.408	3.575	10	20	HHCD	
Cc1ccc(CN(CCO)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)o1	797384130	LLZZXUJNTWPYKV-UHFFFAOYSA-N	406.442	3.963	10	20	HHCD	
COc1ccccc1-n1c(Sc2ncc([N+](=O)[O-])s2)nc2ccccc2c1=O	799924100	IIFPPRPZEAQZLA-UHFFFAOYSA-N	412.452	3.910	10	20	HHCD	
CC(C)N(C)c1ccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)cn1	790108812	VYERXBOZKKFHIM-MHWRWJLKSA-N	406.621	3.715	10	20	HHCD	
O=C(CSCCCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)c(O)c1	795241033	AZNWWNJHABOFPZ-UHFFFAOYSA-N	413.495	3.870	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cn1	790106337	DEUOVHSRWJXWHK-SFQUDFHCSA-N	415.540	3.579	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1341523442	UTLYURPKDIZHCG-UHFFFAOYSA-N	407.514	3.866	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H]3COc4ccc(Cl)cc4C3)CC2)cc1	108430925	FOIHAQJFBTVGJA-QGZVFWFLSA-N	400.906	3.639	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)c1cc(C(F)(F)F)nc2ncnn12	301716992	KMUBPWFGLYASMY-UHFFFAOYSA-N	416.201	3.638	10	20	HHCD	
COc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OCc1ccccc1	135722025	KAFLETJUSVQUQY-XSFVSMFZSA-N	410.495	3.577	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)ccc21	195737369	CMTUUGBETBCJIU-UHFFFAOYSA-N	420.557	3.695	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)n(C)c2ccccc12	527454063	JZOZOAMDGHPUSR-CYFREDJKSA-N	420.557	3.575	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(OC(F)(F)F)cc1	807513589	QGHQPPALDYXESB-UHFFFAOYSA-N	423.174	3.853	10	20	HHCD	
COc1cc(O)c(CN(CCN(C)C)Cc2ccc(Br)cc2)cc1OC	809736730	HIZOERNVCPQSIL-UHFFFAOYSA-N	423.351	3.736	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1Cc2ccccc2CO1	806442487	GGBXGCBGNQOMOR-UHFFFAOYSA-N	421.419	3.699	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1	801945413	GPHUZSAKJVUQTO-YADARESESA-N	421.545	3.757	10	20	HHCD	
O=C(Nc1cccc2c1COC2=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	808906102	KPZUTCZKMSXWBP-ZDUSSCGKSA-N	417.412	3.749	10	20	HHCD	
C[C@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	803120694	JQAUGRSDAROLKN-HNNXBMFYSA-N	408.951	3.837	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(C(F)(F)F)c1	808113742	IGCUTOUWOFLUPI-UHFFFAOYSA-N	414.720	3.913	10	20	HHCD	
Cc1cnn(C)c1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)c1ccc(F)cc1	808574887	FGWDPVXZIXEOBY-UHFFFAOYSA-N	407.854	3.553	10	20	HHCD	
O=S(=O)(c1ccc2c(c1)CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1	819427744	RWMYQXKFZVMQQY-HXUWFJFHSA-N	401.528	3.641	10	20	HHCD	
CCOc1ccc(OCCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	728300713	VIIBAEDKYYTAAK-UHFFFAOYSA-N	412.530	3.740	10	20	HHCD	
S=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc2c(c1)OCCCO2	727276831	FIRHUXGXGWZGGZ-UHFFFAOYSA-N	415.584	3.888	10	20	HHCD	
CO[C@](C)(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1	730174819	OXTAKVGGGFFVES-MFEFFIJZSA-N	400.494	3.617	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1	733134660	WYTCQOMONIHTJC-IBGZPJMESA-N	422.485	3.964	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c1	734018231	JVELOGWFMLEODI-UHFFFAOYSA-N	402.535	3.662	10	20	HHCD	
C[C@H]1CCCC[C@@H]1OCCNC(=O)CN(Cc1ccco1)Cc1ccccc1O	732202485	SPHBNPZTVXQYSS-AVRDEDQJSA-N	400.519	3.699	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1	735887108	MPUPQFZXTRUFDB-QGZVFWFLSA-N	400.489	3.557	10	20	HHCD	
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2F)n1	732637220	VFUXWUQDJSRYNK-SFHVURJKSA-N	422.504	3.956	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)CC1CCN(C(=O)OC(C)(C)C)CC1	733610454	VFZJXSPDSMLPNZ-UHFFFAOYSA-N	403.567	3.602	10	20	HHCD	
Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)no1	918222684	WMSPEDYXHJNZTE-QYWGDWMGSA-N	416.497	3.782	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc2c(cc1Cl)OCO2	915334885	AQFBEHKLNKZWHP-UHFFFAOYSA-N	403.866	3.569	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc(O)c(OC)c1	745823798	XTEUXVXAXCNSRK-UHFFFAOYSA-N	423.307	3.643	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cccc(F)c2C)nc1-c1ccccc1	743046769	QTPBJAKSRAOXIL-UHFFFAOYSA-N	420.487	3.774	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(Cc2ccccc2)no1	745782423	ZDGIMTFGOLYLLA-UHFFFAOYSA-N	407.518	3.847	10	20	HHCD	
Cc1noc(C)c1CSCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	917711403	SPJOZDVBNCITDO-KBPBESRZSA-N	421.538	3.594	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1	740919270	KZQYSRZZDYLDSW-QHCPKHFHSA-N	409.505	3.857	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)c1C	747211040	YZEBMAHTIOTSKM-LJQANCHMSA-N	403.530	3.960	10	20	HHCD	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	746692189	QZJWXGVCMVHCRN-FQEVSTJZSA-N	413.474	3.700	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	917087003	SCQBFENGMSYUAQ-BETUJISGSA-N	404.398	3.868	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(-c3nnnn3CC)c2)cc1	743178406	PLMMLYJAQWJSQF-UHFFFAOYSA-N	407.522	3.870	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)c1	917918920	VGXLKAPAOBBZNL-HDICACEKSA-N	420.550	3.843	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	742334041	DHDAGJNYPZEOJO-ZDUSSCGKSA-N	402.488	3.605	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)cc1	743891193	MSOHSDGNXUQWKJ-UHFFFAOYSA-N	422.298	3.689	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCCN(C(=O)Cc4cccc(F)c4)CC3)c2c1	749025280	YSBMSQWLGILJLX-UHFFFAOYSA-N	422.500	3.970	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N[C@@H](C)c3cc(OC)ccc3O)ccc2NC1=O	745933962	WOOACQCTFJPALL-NQCMUKECSA-N	413.474	3.632	10	20	HHCD	
CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc2c(c1)CCCN2C	745788202	GYASEXVLQLZBQO-JOCHJYFZSA-N	406.574	3.733	10	20	HHCD	
COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1	750732324	SCRFLEJTRYYZCW-AWEZNQCLSA-N	419.319	3.785	10	20	HHCD	
Cc1cc(C(=O)N2CCCC3(C2)OCCO3)c(C)n1-c1ccc(Br)cc1	759639683	SGLGGZYQYOVVNL-UHFFFAOYSA-N	419.319	3.836	10	20	HHCD	
CC[C@@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nc(C)cs1	754325396	ZEOMTNSVPATONL-LJQANCHMSA-N	419.506	3.906	10	20	HHCD	
CC[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)Oc1cccc(F)c1	753343544	NRKUKXBYGOVAMO-UTKZUKDTSA-N	415.509	3.880	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1ccc(NC(=O)NC2CC2)cc1	759561184	CYDMIBJZMGAADZ-ZDUSSCGKSA-N	419.576	3.970	10	20	HHCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cccc(COCC(F)(F)C(F)F)c1	758169061	LTKAAPMSHRAXPE-UHFFFAOYSA-N	411.348	3.749	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	759578826	KEGPSEDUAWWIHE-HWPRWLFBSA-N	405.834	3.652	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c(OCC2CC2)c1	755123478	VPLJLSJTFXQMLC-UHFFFAOYSA-N	409.530	3.620	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1F	757851616	OABXWXCTWGKDQH-GOSISDBHSA-N	402.466	3.651	10	20	HHCD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	753640412	NOWGUTCRKJTEOS-ZDUSSCGKSA-N	413.905	3.974	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)cc1F	753742573	RAZODBRGCZHWLL-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cccc4ccc(C)nc34)CC2)cc(OC)c1OC	759222984	OLVKVXGKSSNDHA-UHFFFAOYSA-N	421.497	3.531	10	20	HHCD	
CCc1cc(N2CCC[C@H](N[C@@H](C)c3cc(Br)cc(F)c3O)C2)ncn1	756713787	YPRVEHWYBROTFR-WFASDCNBSA-N	423.330	3.966	10	20	HHCD	
COCCC1(C)CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1	752912696	ODGHTZCTXRRDKR-RVDMUPIBSA-N	424.613	3.615	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1	754930574	VOWUBXFFWZXQND-UHFFFAOYSA-N	411.845	3.830	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)CC[C@H]2C)c(C)n1-c1ccc(C(C)C)cc1	762507516	KMQRIPOXWZPYSZ-MRXNPFEDSA-N	402.560	3.867	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(CCC(N)=O)CC3)c2C)cc1	767770882	AMMWSBLZVIMURH-UHFFFAOYSA-N	411.546	3.653	10	20	HHCD	
COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(O)ccc2c1CCCC2	764401760	QKSGVGYQFXXAMJ-UHFFFAOYSA-N	416.499	3.848	10	20	HHCD	
OC[C@H](CNCc1cc(Cl)cc(F)c1O)Cc1ccc(Br)cc1	763426704	XJCBIBLWUSWTJM-LBPRGKRZSA-N	402.691	3.888	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCN(c2cccc(Cl)c2)C1	761965658	NRRZOIQIYPPEBU-QGZVFWFLSA-N	420.296	3.742	10	20	HHCD	
O=C(Nc1ccc(F)cc1)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769304708	BTAYQJLITIYACI-UHFFFAOYSA-N	407.829	3.944	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN(CCO)Cc3cccnc3)c2C)c1	763565654	GOOPGRUYZWANGH-UHFFFAOYSA-N	409.555	3.888	10	20	HHCD	
CN(C)c1ccc(CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1	767236683	QNZSMDTYZXFLHA-UHFFFAOYSA-N	421.719	3.786	10	20	HHCD	
CCCNC(=O)c1cccc(NC(=O)NCc2cccc(Br)c2O)c1	765235871	YBIWWIJVBJTMHD-UHFFFAOYSA-N	406.280	3.616	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Oc1ccc(F)cc1Br	763279518	MADQKODJCBGOEA-QWRGUYRKSA-N	412.255	3.514	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c2ncccc12	766363622	PFRXJMKQKPYLJQ-UHFFFAOYSA-N	414.226	3.956	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)C	769126394	LLHUTJJFHHSOKK-GOSISDBHSA-N	421.607	3.795	10	20	HHCD	
CN(C)c1ccc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1F	769191591	AYWAEUUIHXPOLG-UHFFFAOYSA-N	420.326	3.612	10	20	HHCD	
COc1cc(NC(=O)C(C)(C)C)c(C(=O)N(C)Cc2ccccc2O)cc1OC	769281988	HGMYFMBGVLUHCP-UHFFFAOYSA-N	400.475	3.666	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CC[S@@](C)=O)c(C)n1-c1ccccc1Br	779215216	ICVWLLHDBVBQEC-FNODVLLQSA-N	411.365	3.744	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1	775616040	OJGHJTCEPHKMSI-OAHLLOKOSA-N	418.563	3.712	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(C)nc3Br)CC2)cc1	771505001	QNPYCFZUPMYAFJ-UHFFFAOYSA-N	405.296	3.515	10	20	HHCD	
Cc1ccc([C@@H](O)CNCc2cc(Br)cc(Br)c2O)o1	776215747	HFFUVNCDFBMSDM-LBPRGKRZSA-N	405.086	3.642	10	20	HHCD	
CC[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Br)ccc1O	775502200	PZFSCXVYUMUYDI-SJKOYZFVSA-N	416.262	3.914	10	20	HHCD	
CC[C@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Br)ccc1O	775503136	BZBYVVFRZCMGIX-PBHICJAKSA-N	418.335	3.573	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCSC4(CCOCC4)C3)cc2)CC1	770404645	CFACAHWYDACNMH-UHFFFAOYSA-N	403.592	3.731	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)c1O	774341522	ARLNHJYPAJGITP-KZULUSFZSA-N	423.307	3.739	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCN1C(=O)NC(C)(C)C1=O	777826964	VPIOFKNUAKYSGE-QGZVFWFLSA-N	423.513	3.593	10	20	HHCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(SC(F)(F)F)cc1	775286711	BYDLOUABUXUBAO-UHFFFAOYSA-N	407.391	3.592	10	20	HHCD	
COc1ccc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1F	770355361	LQKKCVDSDDNTCB-KRWDZBQOSA-N	406.885	3.517	10	20	HHCD	
C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCOc2cc(N(C)C)ccc21	774750214	HRUJZXCTWCFIAP-HNNXBMFYSA-N	410.543	3.608	10	20	HHCD	
O=C(NCc1ccc(F)cc1F)C(=O)N(Cc1ccccc1O)C1CCCCC1	786983437	ZLUXSCVYBXKXEP-UHFFFAOYSA-N	402.441	3.648	10	20	HHCD	
CC(C)(C)OC(=O)NCC1(CC(=O)OCC(=O)c2ccc(O)c(O)c2)CCCCC1	784733977	WQYSWSUUEMZYQJ-UHFFFAOYSA-N	421.490	3.689	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C	786052793	RTZMULIZFJAZRC-FQEVSTJZSA-N	401.938	3.844	10	20	HHCD	
O=C(NC[C@@H]1CCCc2ccccc21)C(=O)N(Cc1ccco1)Cc1ccccc1O	788484835	PGKNTWGLPWXATH-IBGZPJMESA-N	418.493	3.750	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1O	788906206	LSMKZMIHNHGIKJ-AWEZNQCLSA-N	410.301	3.786	10	20	HHCD	
COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1	795550686	YADWVUXJXQMIHE-UHFFFAOYSA-N	408.476	3.905	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCN3C3CCCCC3)CC2)cc1	798104503	GOFKURAATQMLOC-JOCHJYFZSA-N	414.594	3.760	10	20	HHCD	
O=C(NC[C@H]1CCC2(CCCCC2)O1)N(Cc1ccccc1O)C[C@@H]1CCCO1	790630086	JGJGDGWDWXZSPC-UXHICEINSA-N	402.535	3.965	10	20	HHCD	
COC(=O)CCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1	794950770	WVSPPNRAWDTDCF-UHFFFAOYSA-N	423.435	3.676	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnc(S)n3-c3ccccc3)CC2)cc1	1319869081	BXQUFNQTICJALK-UHFFFAOYSA-N	408.527	3.522	10	20	HHCD	
COc1cc(F)cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1	1252944751	NWESRNWPZZKBSJ-UHFFFAOYSA-N	420.352	3.770	10	20	HHCD	
O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1	1821290829	JOVAKIYDZFQRLN-HNNXBMFYSA-N	418.881	3.580	10	20	HHCD	
CCC[C@H]1NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1=O	14736883	IBFBYMNTZDGCTF-QGZVFWFLSA-N	419.428	3.599	10	20	HHCD	
COC(=O)[C@@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)Cc1ccc(O)cc1	303248757	MMHCEMVPJBUQEV-HXUWFJFHSA-N	406.482	3.561	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)c2c(c1)OCCO2	303060880	YEIRQFLVCTXABL-UHFFFAOYSA-N	405.292	3.559	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)n(C)c2ccccc12	519839691	KIHJIOLLWWZGTO-KRWDZBQOSA-N	417.431	3.913	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(NC(=O)N(C)C)c3)ccc21	525572474	MQRCKJIMJZERBM-UHFFFAOYSA-N	422.529	3.928	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCO[C@@H]3c3ccnn3C(C)C)ccc21	557242105	ASPLRKKMZIQYSR-REWPJTCUSA-N	424.545	3.942	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cccc3c2OCO3)nc1-c1cccc([N+](=O)[O-])c1	800926775	VIARLFACRRJOHM-UHFFFAOYSA-N	419.440	3.556	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)cc1OCCC(F)(F)F	800591924	GWVYVXKJKSTYQE-UHFFFAOYSA-N	402.344	3.932	10	20	HHCD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	801177282	MZIJTRGZHJQVBH-HXUWFJFHSA-N	409.461	3.847	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCCC12CCOCC2	800019433	IENDPGFMTJQNOH-IBGZPJMESA-N	423.504	3.905	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)ccc21	482382406	QLGMKWFEFHDTPM-UHFFFAOYSA-N	419.525	3.503	10	20	HHCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@H](O)COc1ccc2c(c1)OCO2	815565235	HDPUIWQMALFBLU-SIKLNZKXSA-N	421.493	3.824	10	20	HHCD	
COc1cccc(C2(CNC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1	811866302	GLVUOMAJMYRNMM-GOSISDBHSA-N	409.530	3.624	10	20	HHCD	
O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)N(Cc1ccco1)Cc1ccccc1O	813236991	SVJJVBIPEVLLPP-KRWDZBQOSA-N	423.444	3.642	10	20	HHCD	
Cc1cc(=O)cc(C)n1CCCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	813043275	CBNVWUZXMAXIQX-UHFFFAOYSA-N	401.470	3.594	10	20	HHCD	
COC(=O)c1ccc(Cl)c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	810318207	SJUDXAIRAKMDKP-UHFFFAOYSA-N	402.878	3.534	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)CC2)cc1	726710100	SBWHGAQRCGUETJ-DHIUTWEWSA-N	409.530	3.837	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CSc2nc(C)c(Cc3ccccc3)[nH]2)c1	728977758	CKDMBFGWTDHFBF-CQSZACIVSA-N	411.527	3.993	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nncn4c3)c2C)c1	725929438	DILSRKBCYLHLAY-UHFFFAOYSA-N	420.494	3.898	10	20	HHCD	
Cc1cc(C(=O)NCC2(C(N)=O)CCCC2)c(C)n1-c1cccc(Br)c1	734465079	VVKISGGXVLUZJC-UHFFFAOYSA-N	418.335	3.632	10	20	HHCD	
COc1cc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)ccc1OCCO	918637295	REPJOQQWGIVYTG-UHFFFAOYSA-N	408.498	3.712	10	20	HHCD	
Cc1ccc(OCCCCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	918208794	SFHCCMYOLNNKRD-UHFFFAOYSA-N	415.509	3.629	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)c3cc(C)n(-c4cc(C)on4)c3C)CC2)cc1	917210321	MYHWUCJPIVYEQN-UHFFFAOYSA-N	422.529	3.794	10	20	HHCD	
COc1ccc(Br)cc1CNC(=O)NCc1ccc(N2CC=CC2)cc1	740910895	AOZGVBRDASFIGC-UHFFFAOYSA-N	416.319	3.833	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc4nnc(C(F)(F)F)n4n3)cc2F)C[C@@H](C)O1	917085912	BELQWEBGDUJVDN-TXEJJXNPSA-N	424.402	3.508	10	20	HHCD	
COc1ccc(N2C[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CC2=O)cc1	914507709	RSLHZAZTHNVHBE-LJQANCHMSA-N	409.530	3.551	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1	743974755	HAWZGEMTOYMJHD-MRXNPFEDSA-N	417.456	3.629	10	20	HHCD	
CNC(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c1	745369591	DRVXCMBFTZNQAU-UHFFFAOYSA-N	408.429	3.633	10	20	HHCD	
Cc1cc(Br)c(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)s1	742285666	WRJKKWMLKMYHAH-UHFFFAOYSA-N	407.330	3.503	10	20	HHCD	
Cc1noc2ncc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12	742801028	WSBRBRPUBAHASC-AWEZNQCLSA-N	402.401	3.531	10	20	HHCD	
COC[C@](C)(O)C(=O)OCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	745319432	WOQLANCDWATECS-IBGZPJMESA-N	414.285	3.524	10	20	HHCD	
CCOc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OC	916671234	IRZUUAGKSGNXPF-UHFFFAOYSA-N	413.518	3.624	10	20	HHCD	
CS(=O)(=O)c1cccc([C@H](NC(=O)c2cc(O)cs2)c2ccc(F)c(F)c2)c1	743735339	GBCWDWTTWGEUMK-SFHVURJKSA-N	423.462	3.655	10	20	HHCD	
O=C(NCCOc1cccc(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743534845	BYFYHLGBTLNVRL-MRXNPFEDSA-N	423.435	3.774	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	752237067	AKQHFJFBOQBJKY-DEDYPNTBSA-N	401.378	3.849	10	20	HHCD	
Cc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c(OC[C@@H]2CCCO2)c1	757731936	JDIKYMJGSYWTQU-QFIPXVFZSA-N	411.546	3.960	10	20	HHCD	
COc1ccc2c(c1)C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)CO2	751402978	ATIGXQMRISZUMJ-NZQKXSOJSA-N	424.541	3.520	10	20	HHCD	
COc1ccc(Br)c(C(=O)NCCCN[C@H](C)c2cc(C)ccc2O)c1	756564474	UIPTZVJZFMFDKJ-CQSZACIVSA-N	421.335	3.942	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)c1ccccc1C(F)(F)F	921072293	LBKYJWUFVUOYEQ-LJQANCHMSA-N	407.436	3.838	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CSCCN1Cc1ccccc1	759329405	WMRPJZAEPLIUEW-NRFANRHFSA-N	413.587	3.931	10	20	HHCD	
Cc1cnc(C(C)(C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	751082309	IASRUSUOFNCVPO-OKILXGFUSA-N	420.554	3.939	10	20	HHCD	
COc1ccc2c(c1)C[C@H](C(=O)Nc1c(-c3ccccn3)nc3ccccn13)CO2	751307166	GJSYWMPIUVXHAC-INIZCTEOSA-N	400.438	3.595	10	20	HHCD	
Cc1c(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)oc2ccc(F)cc12	760537597	OEEYZCQXDRXKJE-UHFFFAOYSA-N	420.531	3.912	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)c(C)n1-c1ccc(C(C)C)cc1	760795483	XYOKWASMQOQRLH-QGZVFWFLSA-N	402.560	3.867	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1O	761197765	CUWDFUIKCBTDSS-GOSISDBHSA-N	411.329	3.871	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)ccc21	768489010	NOHGFEFDYMBGJF-UHFFFAOYSA-N	417.550	3.843	10	20	HHCD	
Cc1nn(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1-c1ccccc1	768096684	DPOHRLBXJGXTKS-OAQYLSRUSA-N	405.498	3.772	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1	765329777	WSWOUODVTLYOGF-NZQKXSOJSA-N	409.530	3.884	10	20	HHCD	
CCN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1	769681605	QTTVXRRTSQTHEM-UHFFFAOYSA-N	402.497	3.921	10	20	HHCD	
Cc1cc(=O)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c[nH]1	762902970	SQKKWOBQTDMLII-UHFFFAOYSA-N	416.836	3.923	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(NC2CC2)n1	769148146	WGQKXJSSEOLJFR-CYBMUJFWSA-N	408.474	3.718	10	20	HHCD	
COCCOc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(Cl)c1	770221679	XJGWSANGIUEULB-UHFFFAOYSA-N	420.962	3.848	10	20	HHCD	
COc1cc(O)c(CN2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)cc1OC	776777729	VXQSLCTVZRLAOD-OALUTQOASA-N	410.514	3.677	10	20	HHCD	
COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	778113094	DIUTZWYEGVQSDC-WIYYLYMNSA-N	424.501	3.961	10	20	HHCD	
C[C@@H](NCC(=O)N[C@H](C)c1ccccc1Cl)c1ccc(N2CCOCC2)cc1	775258917	CBZMEHPSPJMYTA-IAGOWNOFSA-N	401.938	3.705	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	775258768	AWBJTNZIUZVQAA-MRXNPFEDSA-N	417.937	3.783	10	20	HHCD	
C[C@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(N2CCOCC2)cc1	773789496	PMXPQSXLQNAKJX-INIZCTEOSA-N	406.461	3.610	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2ccc(C(C)=O)cc2)nc1-c1ccccc1	775209144	TWBFXEDMLXULEO-UHFFFAOYSA-N	415.496	3.772	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNc2cccc(C(=O)NCC(N)=O)c2)cc1	770521743	OMGHCPROKVOJAP-UHFFFAOYSA-N	416.525	3.540	10	20	HHCD	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	772002403	IWHBCIFQAHBLGV-ROUUACIJSA-N	414.550	3.602	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2cc3cc(Br)ccc3[nH]2)c1O	775071154	MMIXMDBFEKDGIF-UHFFFAOYSA-N	406.236	3.843	10	20	HHCD	
CCCc1sc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1CC	786259935	SSWJHZXHQURBOO-UHFFFAOYSA-N	413.587	3.862	10	20	HHCD	
Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	784693501	YYGVELHHPLHBCF-UHFFFAOYSA-N	412.490	3.579	10	20	HHCD	
COc1c(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)oc2ccccc12	788757170	QHZOIIAQGBFFQR-MRXNPFEDSA-N	409.486	3.838	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc([N+](=O)[O-])ccc1O	786952627	GHSPBTLNODNOFI-GXTWGEPZSA-N	406.280	3.992	10	20	HHCD	
Cc1ccc(F)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1Br	796681496	TVPGROMCYDQBQT-UHFFFAOYSA-N	422.298	3.560	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn(C(C)C)c2N)cc1	798962789	ZMYZQHJRDFKOGK-UHFFFAOYSA-N	407.518	3.968	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](CO)c1ccccc1OC(F)(F)F	792838082	HCMKAPLBAUEMMO-SFHVURJKSA-N	423.435	3.718	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)CC2)cc1F	798093928	YSYMQTRODCUHPP-SAABIXHNSA-N	401.457	3.751	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)Cc3cc(C(C)(C)C)on3)cc2)CC1	790183758	IABYHMQKKGAGOS-UHFFFAOYSA-N	405.564	3.828	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1	797648100	VOYUYAOIIFCGHT-CQSZACIVSA-N	415.490	3.875	10	20	HHCD	
CC(C)c1ocnc1COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	1319853117	CCIGRUHNZLXBHN-UHFFFAOYSA-N	420.377	3.839	10	20	HHCD	
CC1(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc(O)c(O)c4O)CCC3)cc2)CC1	1787603273	HBRKHVFXSRZVDA-ONNFQVAWSA-N	422.481	3.751	10	20	HHCD	
CC(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1	1787643205	QBSOERYSVOWSQA-VZUCSPMQSA-N	410.470	3.607	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)[C@@H]3CCCN3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	18409195	GCNMRIHGXSCWKT-KRWDZBQOSA-N	419.403	3.722	10	20	HHCD	
C[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc(N2CCOCC2)cc1	65561255	YEEADPLQEYDIMV-GOSISDBHSA-N	416.525	3.689	10	20	HHCD	
C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccc(N2CCOCC2)cc1	140405673	HPTOKRDSBFRPBG-QGZVFWFLSA-N	400.486	3.825	10	20	HHCD	
CC(=O)c1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl	807511955	GMXKZJRNCYWDTH-UHFFFAOYSA-N	415.660	3.810	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCCN1C(=O)COc2ccccc21	802193166	KFHDCGBSNTXFKE-UHFFFAOYSA-N	411.502	3.520	10	20	HHCD	
Cc1c(CNC(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)n(C)c2ccccc12	471731951	QHTGLWCTNVCGSV-SFHVURJKSA-N	420.557	3.707	10	20	HHCD	
COc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1Cl	807512722	GQNWUMBFYCDITR-UHFFFAOYSA-N	403.649	3.616	10	20	HHCD	
Cc1c(CNC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)n(C)c2ccccc12	472288679	XOUMRTDQULVCRK-LJQANCHMSA-N	406.534	3.851	10	20	HHCD	
COc1cc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1C	808918783	IHCCLTLGUYJTPO-UHFFFAOYSA-N	401.894	3.512	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1	802173010	QEPRRYLGECZEKY-UHFFFAOYSA-N	404.518	3.516	10	20	HHCD	
COc1ccc(N2CCCN(CN3C[C@H](c4cccc(Cl)c4)CC3=O)CC2)cc1	812280914	MAQDQHSLWZZWGW-LJQANCHMSA-N	413.949	3.834	10	20	HHCD	
Oc1cc(F)c(Cl)cc1CN1CCC(O)(c2scnc2Br)CC1	816597953	LFWBHRUJZGLXEM-UHFFFAOYSA-N	421.719	3.887	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(CC(C)(C)CN(C)C)C1=O)O[C@H](C)C2	727176438	KRVACQVBUKQIPL-CCOVPTLTSA-N	420.600	3.808	10	20	HHCD	
O=C(NCc1cccc(N2CCOC2=O)c1)N(Cc1ccco1)Cc1ccccc1O	726238359	WISQBKGDUMUKNM-UHFFFAOYSA-N	421.453	3.854	10	20	HHCD	
COc1cccc(O)c1CNC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1	725846098	UDUNDWLNNYGMDX-RDTXWAMCSA-N	408.901	3.745	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(CC(C)(C)CN(C)C)C1=O)O[C@@H](C)C2	727176443	KRVACQVBUKQIPL-SGPNVBEDSA-N	420.600	3.808	10	20	HHCD	
O=C(NCCN1CCc2ccccc2C1)N(Cc1ccco1)Cc1ccccc1O	726092150	FZRGVRKJYJOTFU-UHFFFAOYSA-N	405.498	3.755	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)c(C)c2)CC1	728938051	MDYBROSAYZCDFG-QGZVFWFLSA-N	412.534	3.734	10	20	HHCD	
CC(C)Nc1ncccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	735852215	BEZDENSIOBMCAE-IYBDPMFKSA-N	400.498	3.585	10	20	HHCD	
C[C@@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccs1	738795901	NLQJEAMZHUXALC-CYBMUJFWSA-N	419.458	3.809	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1	734665037	LISLDSGBOXEZDS-UHFFFAOYSA-N	404.555	3.507	10	20	HHCD	
O=C(NCCCOC[C@H]1CCOC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	741101151	HOJGUHMEVUKQPM-QGZVFWFLSA-N	410.474	3.600	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1C	918657838	AJQCYOLLBNSNCV-UHFFFAOYSA-N	410.539	3.877	10	20	HHCD	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742807303	ZKUIFRHCKIYFHS-SRXKAHCNSA-N	417.412	3.995	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F	918308066	DGTRXTZPQFXCQE-UHFFFAOYSA-N	413.493	3.812	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(Cl)c2N(C)C)cc1	918309459	HHPMRYYBJVOGPD-UHFFFAOYSA-N	416.953	3.849	10	20	HHCD	
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1	743957961	GBFOVHKBXGXQFZ-UHFFFAOYSA-N	423.513	3.511	10	20	HHCD	
COCCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	916677818	NSTZUSSAFXROBX-FQEVSTJZSA-N	400.475	3.631	10	20	HHCD	
COc1ccc([C@@H](O)CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1	916221044	LTVRXYVREYZPHC-QHCPKHFHSA-N	407.514	3.678	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)c2C)c1	918676032	HIMUJGTYKKVRER-QFIPXVFZSA-N	405.498	3.917	10	20	HHCD	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccccc2C)cs1	915222289	NCZCICAPVFVFHV-UHFFFAOYSA-N	417.512	3.886	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3CCCc4c3cnn4CCO)c2C)c1	749529158	DBCBPEZPBMZMNK-JOCHJYFZSA-N	406.530	3.707	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC[C@H](C)N3CCCC[C@H]3C)cc2F)C[C@@H](C)O1	918212415	UEXKKJFHHWCGNT-HCXYKTFWSA-N	420.573	3.501	10	20	HHCD	
C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)Cc1cccc(O)c1	748815921	ALFAHULUOFGMQN-OAHLLOKOSA-N	414.461	3.627	10	20	HHCD	
CC(C)(C)n1ccnc1SCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	752151725	MGMYZPQMYHITRG-KRWDZBQOSA-N	403.548	3.644	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc(SC)ccc3C)CC2)cc(OC)c1OC	759223088	QVANGRPSYJBSII-UHFFFAOYSA-N	416.543	3.705	10	20	HHCD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	750299128	LDZWIEMQXPZAOH-LEWJYISDSA-N	405.608	3.759	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccccc3-n3nccc3C)CC2)cc1F	753016732	CENZPAPPJSURFM-UHFFFAOYSA-N	409.465	3.683	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2cccc2)nc1	753232815	HQLYETBFHNFJGC-KRWDZBQOSA-N	412.440	3.873	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1	753643370	JJEVEDRJKITWEJ-XTZNXHDOSA-N	409.269	3.645	10	20	HHCD	
CCOc1cc(CN(C)c2ccc(OC(C)C)cc2)nc2nc(C(F)(F)F)nn12	759928552	MOIOVTPMKKKIIX-UHFFFAOYSA-N	409.412	3.965	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccn(-c3ccccc3F)n2)cc1	751406967	SKAWERDHXKGPOL-HXUWFJFHSA-N	422.504	3.899	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)Nc2cc(-n3cnnn3)ccc2Cl)s1	760415647	VKJDOKGNEYZOGW-UHFFFAOYSA-N	408.940	3.801	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(Br)n3)cc2F)C[C@@H](C)O1	765472448	QWQKBSHJVBNNMP-CHWSQXEVSA-N	422.298	3.527	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1cn(C)nc1-c1cccnc1	769538938	GZDJDGVZDLDAJJ-UHFFFAOYSA-N	401.308	3.972	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](C)[S@@](=O)CC2)c(C)n1-c1ccccc1Br	760651610	HCLOPRNOGJGINR-PWECECGKSA-N	423.376	3.840	10	20	HHCD	
CCCc1c(NCc2ccc(N3CCN(C)CC3)cc2)cnn1-c1cc(C)ccn1	760651806	DYVKNDOXGLGRRI-UHFFFAOYSA-N	404.562	3.892	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O	761356173	NSGNFURTGKDKBE-SFHVURJKSA-N	416.319	3.959	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccnc1OCC(F)F	766508384	RLRKFAXGOYMZDG-UHFFFAOYSA-N	408.474	3.600	10	20	HHCD	
O=C(CSc1nccc2ccccc12)NCc1ccc(N2CCC(CO)CC2)cc1	765596121	QYFPNXZMVAWFQN-UHFFFAOYSA-N	421.566	3.852	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)C2)cc1	761567733	CTFTWGUCPGKDCQ-LJQANCHMSA-N	413.905	3.787	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)c(C(F)(F)F)c2)c(C)c(C)c1O	775290099	YIQPKBMHEIMKQK-UHFFFAOYSA-N	403.378	3.835	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cn(C)nc3-c3ccccc3)CC2)cc1F	779627333	LMUKYFPGKHSKCJ-UHFFFAOYSA-N	409.465	3.589	10	20	HHCD	
COc1ccc(C(=O)N2CCC(N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1OC	773001970	VBFQXQKJNFOQGB-QGZVFWFLSA-N	411.546	3.725	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1Cl	772982549	WTJNWSNWKAKIEC-QRWLVFNGSA-N	417.912	3.772	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCS[C@@H]2COCC[C@@H]21	775737067	OIOHCTFAWAMWTK-QWHCGFSZSA-N	423.170	3.624	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(-c3nc[nH]n3)cc2)cc1	771138538	BPUMBTHJYMEWFG-UHFFFAOYSA-N	401.470	3.973	10	20	HHCD	
C[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(N2CCCCCC2)cc1	777676136	GYVUMBMIAHZFLA-GOSISDBHSA-N	408.546	3.845	10	20	HHCD	
COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl	788598651	GQCNWJVVVOFHSP-OAHLLOKOSA-N	424.950	3.533	10	20	HHCD	
Cc1cc(C(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)c(C)n1-c1ccccn1	781106950	UIGCHONZNINHOB-UHFFFAOYSA-N	408.433	3.701	10	20	HHCD	
CCN(CC)C(=O)CCC1CCN(C(=O)NCCCSc2nccs2)CC1	782733986	SOWILMUARANWRU-UHFFFAOYSA-N	412.625	3.696	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	784672767	UKZCYKCZDJTYGZ-MRXNPFEDSA-N	423.538	3.910	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc2c(cc1Cl)OCO2	783318390	XONFFRDAMPWRGI-UHFFFAOYSA-N	417.893	3.510	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccccc1C(F)(F)F	793787082	WLTQKUKXVJBVSH-UHFFFAOYSA-N	422.447	3.899	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(CN(C)C)c2)cc1	799252120	JOCBWIYPOYIVNC-UHFFFAOYSA-N	416.953	3.503	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H](CCO)c3ccc(Cl)c(Cl)c3)cc2)CC1	796481388	FVGHJRARYVBKBO-OAQYLSRUSA-N	408.373	3.959	10	20	HHCD	
Cc1nc2ccc(Br)cn2c1C(=O)NCCCSc1nccs1	793495162	GGKOUORKMUVZIR-UHFFFAOYSA-N	411.350	3.774	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C(C)C)n(C)n1	791251057	XPNQLIBRQPWJQT-UHFFFAOYSA-N	400.523	3.546	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)cc1	1318163427	ANXSBWDUUJPUMD-UHFFFAOYSA-N	412.534	3.777	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H](c3ccc4c(c3)OCCO4)C3CC3)cc2F)CC1	1318629773	LEOOIKBQRWRJHK-DEOSSOPVSA-N	411.521	3.590	10	20	HHCD	
C/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1831334058	DUIUTNGJPWIHLX-WAUBUAMCSA-N	406.910	3.561	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccncc3)C2)cc1	1842396919	GUOWIXWGHDZPHY-UHFFFAOYSA-N	414.509	3.620	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(Br)cc1	7216330	KUZNQKMLJRSKLQ-UHFFFAOYSA-N	404.352	3.606	10	20	HHCD	
Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65715780	IBROODBQNNJQLN-GOSISDBHSA-N	409.530	3.771	10	20	HHCD	
CCOC(=O)[C@@H]1CCCN(C(=O)CN(Cc2cccs2)c2ccc(OC)cc2)C1	302855109	JNIMAEZDFFUURS-QGZVFWFLSA-N	416.543	3.565	10	20	HHCD	
C[C@@H]1CN(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)C[C@@H](C)O1	303013649	KBTLUVSFVBLMQB-ZIAGYGMSSA-N	413.465	3.840	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1F	303306719	DUFVKDBKWCZMDF-UHFFFAOYSA-N	423.536	3.965	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cnn(CC(C)C)c2C(C)C)n(C)c2ccccc12	472813531	UOPYTNKCXJKQOD-UHFFFAOYSA-N	409.534	3.718	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)C(=O)NCC3CCCC3)ccc21	505290240	OQITWOCJFBBSGY-UHFFFAOYSA-N	413.562	3.719	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)CC2)cc1	728456553	SNXNADDEQXQXGG-UHFFFAOYSA-N	423.494	3.510	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(I)c(F)c1	729305514	MTDSPLVBUITFIT-UHFFFAOYSA-N	412.246	3.769	10	20	HHCD	
Cc1cc(CC(=O)NCc2nnc(S)n2C2CC2)c(C)n1-c1ccc(Cl)cc1	731230109	HARQCKWNORXITE-UHFFFAOYSA-N	415.950	3.822	10	20	HHCD	
C[C@@H](Oc1ccccc1Br)C(=O)NCc1ccc2c(c1)CCCN2C	732734884	GKLMANZIMCVPIF-CQSZACIVSA-N	403.320	3.915	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnc(-c3ccccc3)[nH]2)cc1	736073797	NPZIBXLKBZJNSM-OAQYLSRUSA-N	404.514	3.964	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1-n1cnnn1	742416001	IDCZXPKQIZGHJA-UHFFFAOYSA-N	404.518	3.670	10	20	HHCD	
COc1ccc(N2CCN(CCNCc3ccc(OCC(F)(F)F)cc3)CC2)cc1	742700485	NPPUXWOVNNXINS-UHFFFAOYSA-N	423.479	3.548	10	20	HHCD	
O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1CCCN1CCOCC1	743374012	XLHBRQJEFLDREK-XDJHFCHBSA-N	414.552	3.870	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1	745748251	HNOQQZISBAWINC-UHFFFAOYSA-N	410.562	3.709	10	20	HHCD	
Cc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)C2=O)cc1	745858931	OCGQIIXKISFHPP-QHCPKHFHSA-N	420.557	3.932	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C4CCOCC4)CC3)c2C)cc1C	747845585	QNLXDHHJQHJIMT-UHFFFAOYSA-N	409.574	3.690	10	20	HHCD	
CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1(CC)CC	749556152	XGZZYHBZAKHPGN-RTWAWAEBSA-N	421.557	3.570	10	20	HHCD	
O=C(COc1ccc(N2CCCC2)cc1)Nc1ccc(I)cc1	749795946	NOOWMPHRTXXVGP-UHFFFAOYSA-N	422.266	3.909	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NC[C@@H](C)c1ccccc1	751930894	JLKKILFYNPEZDM-CVEARBPZSA-N	423.538	3.781	10	20	HHCD	
CCC(C)(C)NC(=O)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)C	751938377	ZHKBTXLUOZNGIZ-GOSISDBHSA-N	403.548	3.802	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)c(C)n1-c1ccccn1	753702295	CKNXBSMTYVLDPA-PKOBYXMFSA-N	411.527	3.515	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OCc4cccnc4)cc3)CC2)cc1F	753742652	UZVSBUORTVYVFR-UHFFFAOYSA-N	421.472	3.771	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1	756155591	JVGKWPFNFRTHTJ-UHFFFAOYSA-N	424.726	3.766	10	20	HHCD	
C[C@H](NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756378428	DIMFZNJTWXMLGT-IFXJQAMLSA-N	405.882	3.678	10	20	HHCD	
C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cc(Br)cc(F)c1O	756459033	VYTYHVHUNNWZHA-LBPRGKRZSA-N	416.312	3.559	10	20	HHCD	
CCC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)N1CCc2sccc2C1	756535501	NIKZWHMPDYZKIE-CXAGYDPISA-N	403.504	3.766	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1	758342665	IWTGMRUFAMUBLI-LJQANCHMSA-N	403.320	3.950	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1cccn(Cc2ccc(F)cc2)c1=O	758627393	CQWRASQQSRHRBN-UHFFFAOYSA-N	418.519	3.796	10	20	HHCD	
CCOc1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	759498477	FISBKCNBHMWWLM-UHFFFAOYSA-N	415.921	3.934	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1nc(-c2cc(Br)cs2)no1	759578287	GVTHXWBISRSKRW-RQOWECAXSA-N	423.244	3.728	10	20	HHCD	
O=C(Nc1ccccc1)C1CCN(C(=O)NCCCSc2nccs2)CC1	759590689	QDOJYZIJETUGAI-UHFFFAOYSA-N	404.561	3.686	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	759600289	CVAWZDBSGRJLNL-CYBMUJFWSA-N	406.360	3.965	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)c2cncnc2)c(C)n1-c1ccc(OC(F)F)cc1	760800190	MVKQYQYEONZOCM-AWEZNQCLSA-N	415.396	3.914	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(C(F)(F)F)ccc1Br	762268674	QCCAFRCPKCSKGU-UHFFFAOYSA-N	404.182	3.852	10	20	HHCD	
O=C(COC(=O)c1cc2n(n1)CCCO2)Nc1ccc(N=Nc2ccccc2)cc1	763359619	KEKHBRKYAAHSPH-UHFFFAOYSA-N	405.414	3.877	10	20	HHCD	
COc1ccc(Cl)cc1[C@@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	765255039	OGZBHSBSNYYBNA-WBVHZDCISA-N	401.938	3.901	10	20	HHCD	
Cc1cccc(-n2ncc(C(=O)NCc3cccc(Br)c3O)c2C)c1	765757670	SOAJILWRBHFOKZ-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
COC(=O)COc1c(C)cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1C	768163105	UEMOLAGBPFMVIG-NRFANRHFSA-N	413.514	3.742	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	769397032	STEQLNBARYWPQU-JKSUJKDBSA-N	411.493	3.856	10	20	HHCD	
C[C@H]1CCC[C@H](N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	769674835	QTJMVJLEALARSC-ZFWWWQNUSA-N	408.545	3.905	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(-n4ncn(C)c4=O)cc3)c2C)c1	771290169	RNRGWZVBNVFIGG-UHFFFAOYSA-N	401.470	3.539	10	20	HHCD	
COc1cc(Br)ccc1CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773748536	LWEWQDCMTBRRAI-GFCCVEGCSA-N	408.292	3.549	10	20	HHCD	
CCN(C)c1ccc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1	773769944	BJGCJGZNZJMXEP-QGZVFWFLSA-N	421.541	3.957	10	20	HHCD	
C[C@@H](NCC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccc(N(C)C)cc1	775833998	NYPMGZPAXFXLEM-OAHLLOKOSA-N	409.452	3.661	10	20	HHCD	
C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)c1ccc(N(C)C)cc1	776238291	IMBXKFUDTACKIX-AVRDEDQJSA-N	408.546	3.808	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn1-c1cccc(Cl)c1	777287555	MBWCUONYNXXPJX-UHFFFAOYSA-N	424.932	3.943	10	20	HHCD	
COC(=O)[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)c(Cl)c1	779183256	ZTMFJQGEEUIDIE-NRFANRHFSA-N	418.921	3.830	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc3[nH]ccc23)cc1	782423603	CAGWIQDJNBVLRY-UHFFFAOYSA-N	416.481	3.994	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)c(SC)c(F)c1	784646528	LVHCYVGRVQFJCJ-UHFFFAOYSA-N	407.486	3.740	10	20	HHCD	
O=C1CC[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2ccccc21	786410179	RAAKVEMPPISNGT-PXNSSMCTSA-N	412.917	3.887	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CN(Cc2ccccc2)CCCO1)C[C@H]1CCCO1	788019617	LZIPHHOAODZRHG-RPWUZVMVSA-N	410.558	3.664	10	20	HHCD	
CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1F	789896236	SAUMYFPFROEIJC-JTQLQIEISA-N	412.820	3.617	10	20	HHCD	
COc1cncc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)n1	791696205	WNQOEBZTKKTNBI-UHFFFAOYSA-N	411.483	3.654	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CSc3ccc(Br)cc32)c(O)c1	793208415	ZRTYHRVOTFACNM-CQSZACIVSA-N	409.305	3.810	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1	793524566	HQCSQZBZMOZGBC-QFIPXVFZSA-N	411.521	3.898	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2C)c(O)c1	797387612	MLLVOUDUFLFMMU-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(OC)c(OC)c1OC	802007755	PNIIMZQGZQCUNS-UHFFFAOYSA-N	402.491	3.930	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1OCC(F)F	802610452	AGVQCWBRDDIXAI-UHFFFAOYSA-N	424.419	3.943	10	20	HHCD	
CC[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(Cl)cc(Cl)c1O	806128923	ZKVBVSUFOBNKBI-OAHLLOKOSA-N	414.333	3.994	10	20	HHCD	
Cc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)o1	807952166	FSZJIGCHTAMSOO-HNNXBMFYSA-N	417.937	3.753	10	20	HHCD	
COc1ccc(-c2nsc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)n2)cc1	809928229	MFMRSZQWBBHYFU-NSHDSACASA-N	400.460	3.811	10	20	HHCD	
COc1ccc(CNCc2c(Br)cncc2Br)c(O)c1	811498798	DBVFCDDPKGZYDH-UHFFFAOYSA-N	402.086	3.611	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1-c1ccncc1	815575628	WQBDCZYJFSZQDU-QGZVFWFLSA-N	402.498	3.939	10	20	HHCD	
C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3cc(Cl)c(F)cc3O)cc2)C1=O	816602813	NNTRUJLLUDFGFO-OAQYLSRUSA-N	417.868	3.699	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCOCC4)cn3)c2C)cc1	880744154	GPZJSGYTUQYNRY-UHFFFAOYSA-N	406.486	3.587	10	20	HHCD	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CCS(C)(=O)=O)n3)c2C)cc1	915135528	GTVMUSPIYAEBBD-UHFFFAOYSA-N	417.556	3.899	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)N2CCCC2)cc1	915681481	YLAMHESBESKYET-XMMPIXPASA-N	422.573	3.932	10	20	HHCD	
O=C(NC[C@@H](CO)Cc1ccco1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915758695	LGWZRURFKYWSNU-INIZCTEOSA-N	406.442	3.601	10	20	HHCD	
Cc1cc(CCNC(=O)N[C@H](C)c2nnc3ccccn23)c(C)n1-c1ccccc1	916221252	VEEOAZHRJMTOLH-QGZVFWFLSA-N	402.502	3.740	10	20	HHCD	
CN(C)c1ccc(/C=C2/NC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1	917608825	CDGMQGDHEFRLMZ-LFIBNONCSA-N	407.417	3.913	10	20	HHCD	
O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)n2)c1	917844953	KUAVHIFZGUYSAM-UHFFFAOYSA-N	424.391	3.566	10	20	HHCD	
COc1ccc(C(=O)N(C)C)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	918043698	LQIWLTHPVPZVTC-UHFFFAOYSA-N	410.518	3.660	10	20	HHCD	
CCS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1	1318930654	DLKABPJDWWUHAP-UHFFFAOYSA-N	414.527	3.950	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(Br)cn1	1321101336	TXBIYHXCJADBOD-CQSZACIVSA-N	407.331	3.586	10	20	HHCD	
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-n2c(C)ccc2C)cc1	10056451	WOUXGHMOYFJOQM-UHFFFAOYSA-N	400.482	3.993	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	10962638	CHEXJADPXFWKIM-UHFFFAOYSA-N	411.458	3.629	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccccc2SCC(N)=O)c(C)n1-c1ccccc1	16332938	NDVUQJSMVRHRSJ-UHFFFAOYSA-N	422.506	3.711	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)n(C)c2ccccc12	552164726	KDWAOLNKKTTXNO-NHCUHLMSSA-N	403.526	3.946	10	20	HHCD	
O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1C[C@H](CO)c2ccccc21	647153531	XQVPRUCVTNHIAG-HXUWFJFHSA-N	410.477	3.730	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	726715330	NFIKNIAWWZYPIY-UHFFFAOYSA-N	410.562	3.962	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1O	729859918	WMUYXBOBSJHGSP-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCCC(=O)N2Cc3ccccc3C2)cc1	732474863	XMCPQRUNVMOJHT-UHFFFAOYSA-N	422.573	3.997	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	741178514	UPHPNZJCDULNIU-HXUWFJFHSA-N	414.594	3.711	10	20	HHCD	
C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccc(N2CCOCC2)cc1	741732019	ASFMYTUREWLAJG-OAHLLOKOSA-N	405.901	3.775	10	20	HHCD	
Cc1cc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)c(C)n1-c1cccc(C(C)C)c1	742180197	XGYXPQZJHOBPEJ-FQEVSTJZSA-N	420.600	3.777	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccco1	743340572	HKGUKGOHYSMYGJ-WOJBJXKFSA-N	415.534	3.759	10	20	HHCD	
CN(C)Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743736634	REDHNIKSLSMAGI-SFHVURJKSA-N	403.473	3.748	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC[C@H]1c1ncc[nH]1	745902923	BDSSBADDVUGUSA-YJBOKZPZSA-N	419.476	3.917	10	20	HHCD	
CCOc1ccc(N(CC)Cc2cc(=O)n3cc(Br)ccc3n2)cc1	746158551	ARTYBTLOELQWSI-UHFFFAOYSA-N	402.292	3.882	10	20	HHCD	
Cc1nnc(-c2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)o1	747557710	BEWUWBYQKNSBDK-UHFFFAOYSA-N	407.474	3.546	10	20	HHCD	
CCOCc1cc(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)ccc1OC	747853972	LGGQDMIEJNMMIX-UHFFFAOYSA-N	420.575	3.598	10	20	HHCD	
COc1cccc(C2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1	748330564	HPPRJVYEWUFZFD-UHFFFAOYSA-N	409.530	3.621	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C12CCCCC2	750658376	UIYAWLKQSNRHCA-FCHUYYIVSA-N	415.578	3.793	10	20	HHCD	
CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C12CCCCC2	750658379	UIYAWLKQSNRHCA-YADHBBJMSA-N	415.578	3.793	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@H](OC)c3cccc(Cl)c3)CC2)cc1F	753941701	WUEVRZSJYUOTEB-FQEVSTJZSA-N	421.900	3.707	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c1	756756929	AOZNISKAPHHXTQ-ZIAGYGMSSA-N	411.420	3.699	10	20	HHCD	
Cc1ccc([C@H](NC(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)c2cccs2)cc1	759588864	OYGCDOGTWGAHER-TZCKBEDOSA-N	423.490	3.930	10	20	HHCD	
COc1cc(N2CCN(C/C=C\c3ccc(F)cc3F)CC2)cc(OC)c1OC	761220867	ZNGSSLXAXNJVEY-PLNGDYQASA-N	404.457	3.826	10	20	HHCD	
COc1ccc(C[C@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	761924280	SSEHAQVYFHZWTE-AWEZNQCLSA-N	402.878	3.697	10	20	HHCD	
O=C(/C=C\c1ccc(Cl)nc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761984099	WHJYIAULYFXKHJ-RLXIPRIJSA-N	406.313	3.888	10	20	HHCD	
COc1ccc2c(c1)[C@H](C(=O)N[C@@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CC2	762101399	WLFSLJXADAGASF-UYAOXDASSA-N	414.933	3.865	10	20	HHCD	
C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(N2CCOCC2)cc1	762443196	HXJWUJMMDMNONQ-HNNXBMFYSA-N	415.465	3.726	10	20	HHCD	
C[C@H](NCc1ccnc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)c(F)c1	764926329	JRWPBAXCZIYISI-AWEZNQCLSA-N	413.415	3.849	10	20	HHCD	
C[C@H](NCc1cccc(OCCN(C)C)c1)c1ccc(N2CCOCC2)cc1Cl	765058475	HUCXXIVJPQGITL-SFHVURJKSA-N	417.981	3.968	10	20	HHCD	
Oc1cc2c(cc1CN1CCN(C3c4ccccc4-c4ccccc43)CC1)[C@@H](O)CO2	768463698	VSUOUXXUVOXHFN-DEOSSOPVSA-N	414.505	3.706	10	20	HHCD	
Cc1noc(C)c1CSCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768915517	LOGIOJIBGAFCFT-QGZVFWFLSA-N	423.966	3.664	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCOc2ccccc21	768915952	OIZZTWCFTJNGMA-HKUYNNGSSA-N	400.906	3.693	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1	769507727	FAYMULUIJGUMPQ-KRWDZBQOSA-N	411.424	3.522	10	20	HHCD	
CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	771443030	GWQVLCZDKASJTJ-GOSISDBHSA-N	401.492	3.648	10	20	HHCD	
CC(C)(C)NC(=O)c1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	771881422	SZDQMUCKJAYRPV-UHFFFAOYSA-N	415.877	3.543	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(N(C)C)cc1	773213122	HBRBVCDMPRDNKU-QGZVFWFLSA-N	417.513	3.960	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1O	774841761	XHCJVWJVKKJJKN-JKSUJKDBSA-N	413.257	3.706	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1	776250574	VWOUKEZAWXJXNZ-SFTDATJTSA-N	424.589	3.746	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(Cl)cc1Cl	776750334	ANTHYXSFIHPBDJ-UHFFFAOYSA-N	410.662	3.940	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1	784026592	VQUXHOPYCJPLMV-UHFFFAOYSA-N	412.877	3.609	10	20	HHCD	
CCOc1ccc(OC)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784108691	KCOCROMJAOWBGK-UHFFFAOYSA-N	411.502	3.838	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCCc3ccc(O)c(F)c3)cc2F)C[C@@H](C)O1	786795399	KKGUEYXENJEOIZ-HZPDHXFCSA-N	418.484	3.923	10	20	HHCD	
Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788930459	AVGVERDJFYGLAO-UHFFFAOYSA-N	419.447	3.547	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(CN(C)C)cc2)n1	789728786	XPTCNSYUQBOXLA-UHFFFAOYSA-N	417.556	3.990	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1	789835379	FZNPMCXKNQVNRY-HOTGVXAUSA-N	411.502	3.865	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC	790416661	AIIAMOGUCZJVTE-UHFFFAOYSA-N	403.378	3.561	10	20	HHCD	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cccc(O)c3O)n2)cc1	790494764	GYKKIICLPQGLKH-UHFFFAOYSA-N	411.483	3.542	10	20	HHCD	
O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccc(N2CCSCC2)cc1	790540879	DYAYKWNZHFKMGW-UHFFFAOYSA-N	423.897	3.799	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CNCc2c(O)ccc(Cl)c2F)cc1	790947288	OOYLAJDKGWVOFV-UHFFFAOYSA-N	400.903	3.505	10	20	HHCD	
CCOC(=O)[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccc(O)c1	792175113	QVJSCPOASUARSY-OAQYLSRUSA-N	413.474	3.685	10	20	HHCD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C	792222253	RLTWEXJMAFNLJB-QGZVFWFLSA-N	411.550	3.654	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3C[C@H](C)c4c(C)cccc43)cc2)CC1	792606487	GDRVOEKTPPYUDV-UGKGYDQZSA-N	419.569	3.961	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)c(O)c1	792810988	DFZNNPXXXQNWEB-HDICACEKSA-N	411.546	3.878	10	20	HHCD	
Cc1cc(Br)cc(CNCCCCn2cc(Br)cn2)c1O	793207834	SCHSQECSVLJPHG-UHFFFAOYSA-N	417.145	3.992	10	20	HHCD	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1cc(Br)cc(OC)c1O	793259550	KBPVCOSKDUOGEO-GFCCVEGCSA-N	417.344	3.898	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cn1	795289275	FCTBYUKVQYSKTF-UHFFFAOYSA-N	413.480	3.873	10	20	HHCD	
COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(C)cc1C	796806310	UROKEGBYYYGCDH-UHFFFAOYSA-N	409.530	3.803	10	20	HHCD	
O=C(NCc1c(F)cc(F)c(F)c1F)N(Cc1ccccc1O)C[C@H]1CCCO1	797520782	LBGHZCVCJXMZLE-CYBMUJFWSA-N	412.383	3.839	10	20	HHCD	
O=C(NC[C@@H]1CCCN1C1CCCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	798120340	RAFNSGSCIAKHCH-VXKWHMMOSA-N	415.578	3.880	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c(C)n1-c1ccc(Cl)cc1	800650162	GWDCSUZGOCSHJH-IBGZPJMESA-N	415.965	3.932	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1	801619258	ICPHOCBCIBYVDD-UHFFFAOYSA-N	424.950	3.831	10	20	HHCD	
Cc1cc(C(=O)NCCC2(O)CCOCC2)c(C)n1-c1cccc(Br)c1	804330714	CJBWELDARTXJSN-UHFFFAOYSA-N	421.335	3.518	10	20	HHCD	
CCN(CC(=O)NC1CCN(c2ccc(OC)cc2)CC1)Cc1ccccc1Cl	806747270	UBXSBOHNAHYRHT-UHFFFAOYSA-N	415.965	3.956	10	20	HHCD	
Cc1ccc(-c2nnc(S)n2CC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807836216	SBQKMFNMNZVVOK-UHFFFAOYSA-N	423.325	3.871	10	20	HHCD	
O=C(CCC(=O)N1CCc2sccc2C1)NCc1cc(Cl)cc(Cl)c1O	807839400	DEXQJGVHNCEREW-UHFFFAOYSA-N	413.326	3.742	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)cc1F	808900888	ZPNMYIMOFCIMPO-UHFFFAOYSA-N	424.879	3.843	10	20	HHCD	
O=C(N1CCCC1)N1CCC[C@H](NCc2ccc(OCc3ccccc3)cc2O)C1	809697803	OTNKIWHAFDTGLT-NRFANRHFSA-N	409.530	3.741	10	20	HHCD	
O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	809707271	FFQOGPYEHPIBBY-HUUCEWRRSA-N	403.306	3.569	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(Cl)ncc3Br)CC2)cc1	810317744	CETMDHOIRSWTMV-UHFFFAOYSA-N	424.726	3.905	10	20	HHCD	
Brc1ccc2oc(CNCc3ccc(N4CCOCC4)cc3)nc2c1	813332005	OHLHXJITDUTDCE-UHFFFAOYSA-N	402.292	3.717	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(Cl)nn3)c2C)cc1	815434365	BKFBFRQOBRSWHK-UHFFFAOYSA-N	413.861	3.976	10	20	HHCD	
COc1cc(CNc2ccc(C(=O)N3CCOCC3)c(F)c2)c(O)c(C(C)(C)C)c1	864011516	ZBYQFVMYAVMVPS-UHFFFAOYSA-N	416.493	3.922	10	20	HHCD	
CNC(=O)c1cccc(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	914499639	ZDYJWNRQAUBZFQ-UHFFFAOYSA-N	409.917	3.966	10	20	HHCD	
COC(=O)N(C)CC(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1	915814912	QIMYKYKTAVFZCD-UHFFFAOYSA-N	416.478	3.993	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CNC(C)(C)CC(C)(C)C)cc2F)C[C@H](C)O1	917147187	AYXGTJGUKZBFKW-IRXDYDNUSA-N	407.574	3.860	10	20	HHCD	
COCc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	918212695	VTVUWDINPMHUMC-IRXDYDNUSA-N	415.509	3.585	10	20	HHCD	
O=C(Nc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)C1CC1	1317889413	MZUAZRALJFTAJT-NRFANRHFSA-N	423.513	3.632	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-n4cccn4)c(F)c3)c2)CC1	1319663126	VKUALIBQCPOKBL-UHFFFAOYSA-N	407.493	3.794	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1O	1320899491	MCXZABUXGHATRB-GOSISDBHSA-N	408.458	3.721	10	20	HHCD	
C[C@@H](OC(=O)Cc1ccsc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21458205	JJISGVYWAVKEKC-CYBMUJFWSA-N	419.458	3.636	10	20	HHCD	
CC(C)c1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1	28257143	CMIONRPBMBFORC-UHFFFAOYSA-N	402.925	3.636	10	20	HHCD	
O=C(COC(=O)/C=C\c1cccs1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	34868419	HKZBFKOKRLTKQY-NTMALXAHSA-N	417.442	3.719	10	20	HHCD	
COc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-]	237325578	SMOGPGXHRSEBQX-OAHLLOKOSA-N	407.417	3.963	10	20	HHCD	
CCOc1ccccc1C(=O)NCCCC(=O)NCc1c(C)c2ccccc2n1C	471232938	FRQCLJPKBOFVCP-UHFFFAOYSA-N	407.514	3.712	10	20	HHCD	
Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	472795377	ZRFOWVVBMQQOKY-UHFFFAOYSA-N	402.454	3.705	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCCNC(=O)c3cccs3)ccc21	483504947	XMTACFDTYGIUNI-UHFFFAOYSA-N	413.543	3.516	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	727170276	LCTLVLHVVZKYKK-GOSISDBHSA-N	400.906	3.833	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc2c(c1)CC(=O)N2C	728399941	JOKLULDVIZIOMC-MRXNPFEDSA-N	406.530	3.707	10	20	HHCD	
COc1ccc(O)c([C@@H](C)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1	728908928	PSJMOFAIEHQZOF-SECBINFHSA-N	420.365	3.776	10	20	HHCD	
COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccc(OC)cc1	729389639	PBONPYDJBFTOSX-QFIPXVFZSA-N	422.481	3.755	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC(C)(C)Cc3ccccc3OC)CC2)cc1	729610509	HIVGTMSAUCHEOY-UHFFFAOYSA-N	411.546	3.993	10	20	HHCD	
CCCN(C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H]1CCS(=O)(=O)C1	731182157	JHWRTNUEAYKNHO-SFHVURJKSA-N	408.951	3.787	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1	732115365	XVLHFBPJERQLOF-HXUWFJFHSA-N	423.557	3.799	10	20	HHCD	
CCOCCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1	732180365	HARZRSMUPRUWDQ-UHFFFAOYSA-N	422.525	3.628	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c1	735113709	RXQWDKRDWWFEGU-KBPBESRZSA-N	421.444	3.641	10	20	HHCD	
COCCn1c(C)cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1C	735328763	FGLGMYFKQGMXIU-NVMNQCDNSA-N	416.524	3.886	10	20	HHCD	
CC(C)(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1	736477165	YJRKOJYGTOYDMH-KRWDZBQOSA-N	413.949	3.636	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)Oc3ccc(SC)cc3)CC2)cc1	740650075	BNFDWKIKGMNNJP-KRWDZBQOSA-N	400.544	3.923	10	20	HHCD	
Cc1ccccc1[C@H](CC(=O)N(Cc1ccco1)Cc1ccccc1O)NC(N)=O	743430158	DXLJIKXIPMZRHR-FQEVSTJZSA-N	407.470	3.622	10	20	HHCD	
CC(C)N1CCC(NC(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)CC1	744550697	MROUNLNLNZJHEL-UHFFFAOYSA-N	424.501	3.953	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(CN2CCCC2=O)cc1	745702281	ZKLRVADXYLKCCH-UHFFFAOYSA-N	422.573	3.995	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1	745842143	XJOBQEDYQPKZLM-FQEVSTJZSA-N	418.582	3.976	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(OCC2CC2)CC1	745903408	FSKBELQUAGHZDQ-KRWDZBQOSA-N	423.504	3.857	10	20	HHCD	
COC(=O)CCOc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	747536370	NITBSGOFUWKBTR-UHFFFAOYSA-N	411.502	3.891	10	20	HHCD	
O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cncc(Br)c1	747859462	YFNBEWRNIDBYSK-UHFFFAOYSA-N	424.301	3.661	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)C3c4ccccc4-c4ccccc43)nc12	747970070	NCNGBNJUVPNYDT-UHFFFAOYSA-N	414.465	3.813	10	20	HHCD	
CCCCN1CCC(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	749212685	OCTJSNMTNDYYFQ-HDICACEKSA-N	420.573	3.503	10	20	HHCD	
CC(=O)c1cc(F)cc(CN(C)CC(=O)Nc2ccccc2Br)c1O	750819200	IEFSXBLQHRDBQR-UHFFFAOYSA-N	409.255	3.567	10	20	HHCD	
COc1ccc(N(C)CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c(OC)c1	752122721	OTEAGYDCBUCVAY-UHFFFAOYSA-N	408.498	3.960	10	20	HHCD	
COc1ccc2c(c1)CC[C@H](NC(=O)NCc1ccc(N3CCSCC3)cc1)C2	753105615	VWQSIOWIVUYWNX-FQEVSTJZSA-N	411.571	3.605	10	20	HHCD	
CC(C)c1c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnn1-c1ccccc1	753842559	UEDZTLDWSLTVJE-QGZVFWFLSA-N	419.529	3.878	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](c3ccc(F)cc3)C2)c1	755923898	MDBLXCABFHDXMV-IBGZPJMESA-N	412.505	3.556	10	20	HHCD	
C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)c(Cl)c1O	756448339	BFJGMRWWXNJKPD-LLVKDONJSA-N	403.331	3.800	10	20	HHCD	
C[C@H]1C[C@@H](NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c2c(O)ccc(F)c21	756689150	SALBEPFZPATHSX-HNAYVOBHSA-N	418.534	3.770	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)NCc2ccc(N3CCCC3=O)cc2)s1	759713001	DMHAIFFFAGQKGR-UHFFFAOYSA-N	403.573	3.976	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(Cl)c(F)c1	759853277	PZCKQOBUCIAHLG-KRWDZBQOSA-N	402.249	3.547	10	20	HHCD	
O=C([C@H]1CC(c2cc(F)ccc2F)=NO1)N(Cc1ccco1)Cc1ccccc1O	761745639	CVTZDRIRSZAIPC-OAQYLSRUSA-N	412.392	3.985	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@H](CO)Cc2cccc(Br)c2)c1O	763444167	NYNXKFCRMDPNDG-CYBMUJFWSA-N	414.727	3.758	10	20	HHCD	
CN(C)[C@H]1CCCN(Cc2cc(Br)cc(Br)c2O)CC1	763588066	GWLUBCBELXTIDE-ZDUSSCGKSA-N	406.162	3.833	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCCN3C(=O)OC(C)(C)C)ccc21	765334816	RIHCKJLVLMUOAX-UHFFFAOYSA-N	401.507	3.903	10	20	HHCD	
C[S@@](=O)C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1	765638960	QUTRWVFQJFHQLG-WHLCRQNOSA-N	401.532	3.795	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	770346965	DDMXLLRJYOEYPD-QFIPXVFZSA-N	403.434	3.525	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccncc1Br	771065556	NLOCSLPGOHMBRM-AWEZNQCLSA-N	424.726	3.598	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(OCC(F)(F)F)cc1	771834577	UMNVMRMKKWJTEQ-UHFFFAOYSA-N	414.767	3.956	10	20	HHCD	
CC(C)N(C)c1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1F	771907233	ZJTWCRDZKMLSFW-UHFFFAOYSA-N	405.857	3.998	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC(c4nc(N(C)C)n[nH]4)CC3)c2C)c1	773474067	VZIDUIHVNVANGS-UHFFFAOYSA-N	406.534	3.606	10	20	HHCD	
O=C1N[C@@H](c2cc(Cl)c3ccccc3c2O)Nc2ccc(N3CCOCC3)cc21	774546029	GHXCENLWESEPBL-NRFANRHFSA-N	409.873	3.890	10	20	HHCD	
COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CCC(=O)N2C)cc1	775402354	DEJNQNZLSPPWEI-FQQGMQMYSA-N	409.530	3.548	10	20	HHCD	
CS(=O)(=O)c1cccc(NNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1	776267614	LLNAYWAWFPBKJQ-UHFFFAOYSA-N	421.878	3.658	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1	781132136	JENDEYOBHVGILN-UHFFFAOYSA-N	416.587	3.914	10	20	HHCD	
COCc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	782429094	FBIFJXCJJXZSSM-UHFFFAOYSA-N	421.497	3.660	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1	784030310	NTDLHDVJXDXJQG-UHFFFAOYSA-N	405.454	3.957	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1	784112847	OVJQTZDPCHASCW-UHFFFAOYSA-N	420.513	3.779	10	20	HHCD	
C[C@H]1CN(CCN(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)O1	789795206	XLODWGMVIYADGU-HDICACEKSA-N	423.517	3.608	10	20	HHCD	
COc1ccc(OC)c2c1CN(Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H]2O	792772794	BOXMAUWHPWZRAS-QGZVFWFLSA-N	410.436	3.838	10	20	HHCD	
COc1cc(N2CCN([C@@H](C)c3noc(-c4ccccc4)n3)CC2)cc(OC)c1OC	792877335	JMICAUNPVBTLQC-INIZCTEOSA-N	424.501	3.646	10	20	HHCD	
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(N(C)C)cc1C(F)(F)F	792991348	GBJHHBWXSWTFOR-FQEVSTJZSA-N	418.463	3.700	10	20	HHCD	
CC1(c2cccc(Cl)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	794341662	MHUQYRQDIHBYST-UHFFFAOYSA-N	422.934	3.611	10	20	HHCD	
Cc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1I	798497779	AQQZRCWLOASREF-UHFFFAOYSA-N	422.310	3.726	10	20	HHCD	
CCOC(=O)c1ccccc1S(=O)(=O)N(C)Cc1ccc(N(CC)CC)cc1	799755069	HXAGPJMGYFLVRB-UHFFFAOYSA-N	404.532	3.530	10	20	HHCD	
O=C(O)c1cnc(-c2ccccc2)nc1/C=C\c1ccc(N2CCOCC2)c(F)c1	799892903	QHSVNUXJLRFADJ-VURMDHGXSA-N	405.429	3.988	10	20	HHCD	
Cc1nc(C)c(CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c(O)n1	800570564	RRSHJJXAVDXHCW-CYBMUJFWSA-N	402.926	3.548	10	20	HHCD	
COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1	800637383	XQOWBZGKSOXFDW-HNNXBMFYSA-N	415.921	3.840	10	20	HHCD	
C[C@H](NCCCn1cc(Br)cn1)c1cc(Br)ccc1O	806660040	OFJBTFNXDNOEPT-JTQLQIEISA-N	403.118	3.855	10	20	HHCD	
CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1	808078536	VMJPRLSYUVEXGN-PZJWPPBQSA-N	416.562	3.763	10	20	HHCD	
COCCc1nc(CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)no1	809960494	XPXOSKLOASYQAG-YVMONPNESA-N	407.470	3.750	10	20	HHCD	
CC[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(C(F)(F)F)cc1O	810228068	QTDJNECIVMZHDO-CQSZACIVSA-N	422.494	3.834	10	20	HHCD	
COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccccc1O	812098087	MFEJYDXPGSXIJB-UHFFFAOYSA-N	405.458	3.589	10	20	HHCD	
C[C@@H]1CCc2c(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)csc2C1	917833150	MIBCWMWAXCUXRD-WBVHZDCISA-N	411.571	3.505	10	20	HHCD	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc2[nH]c3c(c2c1)CCCC3	919839149	DCXDDVUYQUDPBN-UHFFFAOYSA-N	423.538	3.534	10	20	HHCD	
CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	920231641	JSNDZGAZQDUITM-GOSISDBHSA-N	401.492	3.648	10	20	HHCD	
COc1ccc(N2CCN(Cc3sc(N4CCCCC4)nc3C)CC2)cc1F	1254040052	LYHKPJDYDUNZEJ-UHFFFAOYSA-N	404.555	3.912	10	20	HHCD	
COc1ccc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2c1	1324143936	RVFPRAHQRLICOF-UHFFFAOYSA-N	408.473	3.879	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc(N(C)C)cc2)cc1Cl	7098008	WIMIRSZUDGGKFE-UHFFFAOYSA-N	415.950	3.704	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(Cl)cc3Cl)CC2)cc1	11853420	VALNQOIIUSDGOG-UHFFFAOYSA-N	422.356	3.944	10	20	HHCD	
CC(=O)N1CCCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1	27565304	OXXWBYGSICQTLX-UHFFFAOYSA-N	405.901	3.624	10	20	HHCD	
Cc1cc(O)c(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1C	28940897	UQHHZNZFXIGETF-UHFFFAOYSA-N	410.539	3.669	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)COc3cccc(C(F)(F)F)c3)CC2)cc1	110358803	AFHVMLPDIRORLS-UHFFFAOYSA-N	408.420	3.878	10	20	HHCD	
COc1ccc2cc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccc2n1	303157603	HCEZPWIPQMOKTB-UHFFFAOYSA-N	406.486	3.744	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCCC1	725868916	FYPVLTRJEZAVGX-CTNGQTDRSA-N	400.567	3.546	10	20	HHCD	
COc1cccnc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	726531598	MNCHUORNNALQPK-SDNWHVSQSA-N	419.553	3.772	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(OCC(F)F)c2)cc1	726855009	BZRUBWDUTWMZFU-UHFFFAOYSA-N	419.472	3.740	10	20	HHCD	
O=C(CSC[C@@H]1CCCCO1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	727382861	PRWKBZZISPCSHU-SFHVURJKSA-N	414.518	3.675	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccn(-c3cccc(Br)c3)n2)c1	730285524	VXQKTFTZBTZEAL-GFCCVEGCSA-N	416.275	3.840	10	20	HHCD	
O=C(CN(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2)NCc1cccnc1	732198996	DCRHJPRIRGFZQK-UITAMQMPSA-N	415.493	3.689	10	20	HHCD	
COc1cc(C(=O)NCCCSc2nccs2)cc(OC)c1Br	733879518	RZJHRZDNVYTPMQ-UHFFFAOYSA-N	417.350	3.835	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	734405602	UVDPJJGGNOLWTJ-NRFANRHFSA-N	411.546	3.813	10	20	HHCD	
COc1c(Cl)cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1Cl	734702314	WKOYSLUFVURWKX-UHFFFAOYSA-N	410.301	3.631	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1	740812986	MHLLJOPOYRIXSR-UHFFFAOYSA-N	410.561	3.954	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](CNC(C)=O)C3)c2C)cc1	742615642	VSMSYFPESMFUGD-FQEVSTJZSA-N	411.546	3.524	10	20	HHCD	
CC(C)Oc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	742805176	HSVRSZVCFVZAFZ-INIZCTEOSA-N	405.445	3.869	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1	743047505	XVHLDQMNVPVROB-UHFFFAOYSA-N	401.532	3.706	10	20	HHCD	
COC(=O)[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1	743485729	TXBNBNMFDAAXKD-VQIMIIECSA-N	408.420	3.900	10	20	HHCD	
O=C(NCCc1cccc(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743518797	UNIPUCWQGOXDIK-KRWDZBQOSA-N	407.436	3.938	10	20	HHCD	
CCc1nc(CCNC(=O)N(CC)Cc2cc(Br)ccc2O)cs1	745796423	QUXVGJBAZLCEFM-UHFFFAOYSA-N	412.353	3.948	10	20	HHCD	
CCC(=O)N1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1	748066696	JZSKKJZHQKDZGX-UHFFFAOYSA-N	420.509	3.918	10	20	HHCD	
Fc1ccc2c(c1)[C@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CC2	748269452	OZCVZCRZJDDSAC-JOCHJYFZSA-N	421.495	3.859	10	20	HHCD	
COCCOc1ccc(Cl)cc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1	748705137	QADJZAABDSZVJS-UHFFFAOYSA-N	418.921	3.726	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)CCC4)cc2F)CC1	750626443	BCWVXBKAIXKHRY-UHFFFAOYSA-N	424.520	3.808	10	20	HHCD	
CCO[C@@H](C)c1nc(CN2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)cs1	750826522	NQVZPPUDBCPVSV-HNNXBMFYSA-N	421.538	3.606	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)n3ccc(=NCC(F)(F)F)cc3)ccc21	752858012	WCQLCIOGXUYMQH-UHFFFAOYSA-N	405.420	3.858	10	20	HHCD	
Cc1cc(N2CCC(N[C@H](C)c3cc(Br)ccc3O)CC2)nc(C)n1	756635626	SAEAZYINGXHOFZ-CYBMUJFWSA-N	405.340	3.881	10	20	HHCD	
Cc1cc(CC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c(C)n1-c1ccc(Cl)cc1	757001401	WAUCWGXMULSMJX-LEWJYISDSA-N	402.922	3.696	10	20	HHCD	
CN(C)c1ccc(CN(CN2C[C@@](C)(c3ccccn3)CC2=O)CC(F)(F)F)cc1	758220433	PZUXXICHSLUHEE-NRFANRHFSA-N	420.479	3.660	10	20	HHCD	
COc1cc(CN2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c(O)c(C(C)(C)C)c1	758976177	ZQJPZBSGULOFMZ-QGZVFWFLSA-N	409.530	3.731	10	20	HHCD	
CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	760054100	SYTICYSCMUNRPS-OALUTQOASA-N	421.335	3.780	10	20	HHCD	
COc1cc(Cl)cc(CN2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1O	761198549	KCDKHFDCOSMMOY-SFHVURJKSA-N	411.329	3.559	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1c(-n2cccc2)sc2c1CCSC2	767770968	CLKSONVIPYEDGK-UHFFFAOYSA-N	400.525	3.712	10	20	HHCD	
C[C@]1(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	768252723	OZWYMOSHVWKSPG-XMMPIXPASA-N	411.521	3.969	10	20	HHCD	
CSC[C@H](CCO)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	768868348	MCFFGSOUOPQSRL-HNNXBMFYSA-N	411.365	3.700	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1cc(F)ccc1Br	771955345	SNCHXTCBTRRTLX-UHFFFAOYSA-N	411.343	3.505	10	20	HHCD	
C[C@H](NC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)c1ccc(N(C)C)cc1	773018244	YHWRFKGPOPPIBO-LSDHHAIUSA-N	403.523	3.829	10	20	HHCD	
CCCCOc1ccc(OC)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773845563	IDPACGJUDJWBLC-INIZCTEOSA-N	413.518	3.756	10	20	HHCD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C	775770792	ICVDDSXEVKXROA-DOPJRALCSA-N	411.493	3.616	10	20	HHCD	
COc1ccccc1[C@](N)(C(=O)NCc1ccc(N2CCCCC2)cc1)C(F)(F)F	776129019	QZOJKIRJVCRLLX-NRFANRHFSA-N	421.463	3.718	10	20	HHCD	
CCCn1c(/C(Cl)=C/c2ccc(F)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21	777467774	LJQGYVWFGFFXEB-GDNBJRDFSA-N	422.913	3.968	10	20	HHCD	
Cc1ccnc2c(S(=O)(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cccc12	777948717	FPKABZGJWJDRTJ-SFHVURJKSA-N	412.511	3.619	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(OCC2CC2)c(Cl)c1	785085310	MUHRGONTMULTHD-UHFFFAOYSA-N	415.921	3.633	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccccc2OC(C)C)cc1	787871993	JRFHTEATVSUGFC-GOSISDBHSA-N	411.546	3.814	10	20	HHCD	
CCCOc1cc(OC)ccc1C(=O)NCc1ccc(N2CCSCC2)cc1	789737050	LVNLLIYLLLICRA-UHFFFAOYSA-N	400.544	3.967	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(O[C@@H]3CCOC3)cc2)cc1	789918542	CSHSYZCDGJKFFU-DNQXCXABSA-N	424.541	3.742	10	20	HHCD	
CCOC(=O)c1csc([C@H]2CCCN2C(=O)NCc2ccc(N(C)C)c(F)c2)n1	790262360	TWLLLEPITWCGET-QGZVFWFLSA-N	420.510	3.572	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3cnc4ccccc4c3)cc2F)CC1	791573551	LULYSRGTDQOEHC-UHFFFAOYSA-N	420.532	3.765	10	20	HHCD	
COc1cccc(C2=NO[C@@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)C2)c1	792225447	IUHZHAYNGFWINZ-JOCHJYFZSA-N	406.438	3.716	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)ccc21	792511942	ZQWHYZKKQZDZSE-AWEZNQCLSA-N	403.523	3.548	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1	793752425	UQNXXYBXXBJPNI-NZQKXSOJSA-N	424.541	3.805	10	20	HHCD	
COc1ccc(CNC(=O)Nc2nc(SCc3ccccc3)ns2)c(O)c1	797636367	PLLRCSANJGASJU-UHFFFAOYSA-N	402.501	3.866	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc2c1CN(CCC)C2	802610651	JZKZVUAATHEWOK-UHFFFAOYSA-N	409.530	3.885	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cnn(-c2ccccc2Cl)c1	804235188	MTQHLLPGAMJNNF-UHFFFAOYSA-N	417.252	3.854	10	20	HHCD	
O=C(N[C@H](c1ccccc1)C1CCC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	804683324	SPMOLEQHOUXDPY-FYYLOGMGSA-N	422.525	3.557	10	20	HHCD	
COc1ccc2oc([C@@H](C)NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c(C)c2c1	804759209	TZAOISHEWRURSL-JKSUJKDBSA-N	423.513	3.870	10	20	HHCD	
CC(C)OCCCCNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	807465377	IRFRNYYSSMQGGE-QGZVFWFLSA-N	423.985	3.514	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C)cc1OCC1CC1	807862294	YQDUWNQCHBDUGQ-UHFFFAOYSA-N	410.514	3.544	10	20	HHCD	
COc1ccc(-c2ocnc2C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	809614562	NCCOPQYZPOJQQC-UHFFFAOYSA-N	409.511	3.833	10	20	HHCD	
O=C1CSc2cc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)ccc2N1	810198658	CGVKMSTWQUKGEL-UHFFFAOYSA-N	422.554	3.515	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)c1ccc(C(F)(F)F)nc1Cl	811157071	VEMFATFRXBPVEC-KXFIGUGUSA-N	401.724	3.604	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2noc(COC(C)C)n2)cc1F	811877899	UXVKZQBRRYDHHR-CQSZACIVSA-N	407.490	3.540	10	20	HHCD	
CCn1c(COCc2ccccc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812040985	NQCCYPKYFLRXFB-UHFFFAOYSA-N	421.545	3.740	10	20	HHCD	
COc1cc(Cl)c(F)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	857458615	YJRMSRPVKITIAF-UHFFFAOYSA-N	410.848	3.518	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1	916566170	PFBCUNUGRKOHMV-GUIXVQPWSA-N	409.486	3.882	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCOC2)c(C)n1-c1ccc(OC(F)(F)F)cc1	921214983	NKXXIBLMWZDKEW-CQSZACIVSA-N	411.376	3.755	10	20	HHCD	
CC(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1816768166	VJIAPKLTUSEVRR-HNNXBMFYSA-N	420.897	3.826	10	20	HHCD	
CCOc1c(Br)cc(C(=O)NCc2ccc(N(C)C)cc2)cc1OC	8171314	GYUOWYHENPEQLN-UHFFFAOYSA-N	407.308	3.852	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cc4c(C)cc(C)cc4[nH]3)CC2)cc1	28623545	JLNLFCBMNJAXJE-UHFFFAOYSA-N	420.557	3.735	10	20	HHCD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	45582099	UBCFFYBUFGOBOX-UHFFFAOYSA-N	422.504	3.737	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2cc(Br)ccc2o1	54284178	BDDRMTMIIJQFLY-UHFFFAOYSA-N	415.287	3.962	10	20	HHCD	
CSc1nnnn1-c1cccc(NC(=O)NCc2c(C)c3ccccc3n2C)c1	471170254	QHSHJEABBIOECV-UHFFFAOYSA-N	407.503	3.506	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)ccc1OC	726197553	UOYJWCDCZRQATE-QGOAFFKASA-N	400.525	3.933	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1	726275531	RANURDZYWWDUHH-UHFFFAOYSA-N	420.513	3.853	10	20	HHCD	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OC	726627612	OZDFOIXDSHGMTG-BOPFTXTBSA-N	414.508	3.599	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc(Br)cc3)CC2)cc1	726707537	DKFFRQMIJMJDQY-UHFFFAOYSA-N	418.379	3.760	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)Nc3ccc(Cl)nc3)cc2F)CC1	730157218	RAWSHOZPSQBACJ-UHFFFAOYSA-N	407.946	3.503	10	20	HHCD	
CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731039482	UCAQJKLFBQAVFQ-UHFFFAOYSA-N	415.559	3.750	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccccc1CN1CCN(CC)CC1	731280254	QGVZDWOPSWJXNF-UHFFFAOYSA-N	424.589	3.652	10	20	HHCD	
COC(=O)NCCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	733543106	PLDPNSBRPMKYDK-UHFFFAOYSA-N	424.856	3.749	10	20	HHCD	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)cc21	734740947	YOCNHOJFNRMAJJ-UHFFFAOYSA-N	413.524	3.828	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1	735887107	MPUPQFZXTRUFDB-KRWDZBQOSA-N	400.489	3.557	10	20	HHCD	
COCCCn1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1	737011685	ZJMKPJBEFNJSNK-UHFFFAOYSA-N	411.506	3.813	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccnc(N3CCCCC3)n2)c(C)n1-c1ccccc1	740315675	MOQYZCKRRNQAOL-UHFFFAOYSA-N	418.497	3.914	10	20	HHCD	
CCOc1ccc(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1OCC	740920435	ZIIQWRHOUVUFLC-UHFFFAOYSA-N	409.530	3.902	10	20	HHCD	
COc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1	742750735	PIDWWXVYBLMUFB-HXUWFJFHSA-N	413.518	3.757	10	20	HHCD	
COC(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1C(=O)OC	742915753	HHTGNNDNCGOMEB-UHFFFAOYSA-N	406.438	3.920	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@]34CCCc3ccccc34)cc2F)CC1	743338922	GRGFEBODMYWRJA-GJZUVCINSA-N	421.560	3.878	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cn1nc(C)c(Cl)c1C	743809460	XBLKSUUPPLFRQI-UHFFFAOYSA-N	400.704	3.670	10	20	HHCD	
CCN(CC(=O)N1c2ccccc2C[C@H]1C)Cc1cc(Br)ccc1O	743870914	HFQUDMLZESGNKS-CQSZACIVSA-N	403.320	3.954	10	20	HHCD	
CN(Cc1nccn1Cc1ccccc1)C(=O)NCc1ccc(N2CC=CC2)cc1	745836028	BHOGGVDAZZSPDT-UHFFFAOYSA-N	401.514	3.649	10	20	HHCD	
CC(=O)Nc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])c(O)c3)SC2=S)c1	748358352	VMWWBMXYGCARQE-LZYBPNLTSA-N	415.452	3.665	10	20	HHCD	
CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1cc(C)n(-c2ccccn2)c1C	748738540	FLUKFABJOLSHCP-UHFFFAOYSA-N	409.461	3.834	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3c(O)cc(Cl)cc3Cl)c2)CC1	751067501	MGAFQGFUCLEOMZ-UHFFFAOYSA-N	408.285	3.653	10	20	HHCD	
O=C(C[C@@H]1CSCCS1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	752016753	UEAGVTBBMQXAIC-XJKSGUPXSA-N	402.532	3.612	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCCc3ccc(OC)cc3OC)CC2)cc1	753950179	NMPQIKDNILJCIK-UHFFFAOYSA-N	412.530	3.774	10	20	HHCD	
C[C@H](NCCCS(=O)(=O)c1ccccc1)c1cc(Br)c(F)cc1O	756477828	ZKDAVMIPCVAMIQ-LBPRGKRZSA-N	416.312	3.808	10	20	HHCD	
C[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)c(Cl)c1O	756760835	OTPUUAKOXNEDIE-JTQLQIEISA-N	409.360	3.732	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)cc(OC)c1OC	759957951	WSXQIXBUAJTEMW-UHFFFAOYSA-N	423.872	3.859	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CC(F)(F)C1	760653064	ATHOLLIFOPNLKH-GHXNOFRVSA-N	402.513	3.643	10	20	HHCD	
COc1cccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1O	761991687	JMSURSYUCQOBQE-UHFFFAOYSA-N	416.474	3.631	10	20	HHCD	
Cc1c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cnn1-c1ccccn1	764526555	VUQFYSZNMQWFDG-UHFFFAOYSA-N	415.475	3.639	10	20	HHCD	
C[C@H](N[C@H](C)CC(=O)Nc1cccnc1Cl)c1ccc(N2CCOCC2)cc1	765331495	GKSVSLLTLXDLNS-CVEARBPZSA-N	402.926	3.640	10	20	HHCD	
CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1	767882181	RKUHZUBCEYFQAD-UHFFFAOYSA-N	403.935	3.782	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1[N+](=O)[O-]	771185567	JXMYAZFZAGXCHY-HUUCEWRRSA-N	416.453	3.978	10	20	HHCD	
CC(=O)Nc1ccc2c(CN(Cc3ccc(N(C)C)cc3)C3CC3)cc(=O)oc2c1	771790904	JQADOAGPMVYKKC-UHFFFAOYSA-N	405.498	3.982	10	20	HHCD	
CC(C)CO[C@H](C)c1noc(CN(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	773615767	YFRHQSVRTORJQD-HZPDHXFCSA-N	403.527	3.772	10	20	HHCD	
Cc1cccc(CN2CCN(Cc3nc(O)c4c5c(sc4n3)CCCC5)CC2)c1O	775643974	YTDXSZRGODUSDO-UHFFFAOYSA-N	424.570	3.608	10	20	HHCD	
COc1cc(O)c(CN[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1OC	776154658	WSCXCQCAZBUYTB-MRXNPFEDSA-N	413.518	3.517	10	20	HHCD	
O=C1N[C@H](c2ccccc2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	777666925	KCCPXQIGFKBYHU-SJLPKXTDSA-N	401.413	3.550	10	20	HHCD	
CSc1ccccc1S(=O)(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	780712880	DPLHOMLCEAVAPW-GASCZTMLSA-N	424.563	3.640	10	20	HHCD	
COc1cc(C)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782420624	RAIYNPPDIBYCNK-UHFFFAOYSA-N	421.497	3.830	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)cc1	785425179	XIJCOZSQLRWFGA-UWJYYQICSA-N	405.542	3.785	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCc2ccc(F)cc2F)cc1)C1CCCCC1	786981284	PNZZNYOXMZREEC-UHFFFAOYSA-N	415.484	3.666	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccccc1OC1CCCC1	787210833	YTUWVSATCGDNSG-UHFFFAOYSA-N	410.514	3.769	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCC1(c2ccccc2)CCCCC1	788932511	OKCIMESCIQEKDG-UHFFFAOYSA-N	419.569	3.921	10	20	HHCD	
CCn1ccc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	790218676	BZZRPHIMYWWZBQ-IRXDYDNUSA-N	402.514	3.602	10	20	HHCD	
CCN(CC)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cc1	796697508	XJMNZNKVMOEDGC-IOMROCGXSA-N	405.583	3.941	10	20	HHCD	
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	797624816	ZGXUBDYTXZWUNJ-CYBMUJFWSA-N	419.909	3.984	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCC(=O)NC(C)(C)C)cc2Cl)C1	799916973	PBGAAYBSIXVPGA-OAHLLOKOSA-N	408.974	3.680	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(OC(F)F)n(C)n3)cc2Cl)C1	800049187	HFGRTEHVULSPMC-LBPRGKRZSA-N	412.868	3.841	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1	801605504	CNIZZUITQRBPGL-UHFFFAOYSA-N	419.547	3.785	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c1	801918225	ZYHHBRIIYOCAAM-LBPRGKRZSA-N	423.872	3.913	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1	807098613	ZUAXQROOCYXZKL-IERDGZPVSA-N	409.530	3.585	10	20	HHCD	
CC(C)CN(CCc1ccc(F)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807673052	MLBLIGHKISLOCU-SFHVURJKSA-N	413.537	3.796	10	20	HHCD	
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1cc(Cl)cc(Cl)c1O	807837076	ABRKDYWPLBCRIF-SFHVURJKSA-N	407.297	3.851	10	20	HHCD	
COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc(NC(C)=O)c1OC	807838059	IAXRDISZDUURCZ-UHFFFAOYSA-N	413.257	3.605	10	20	HHCD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)s1	808527334	DKTYPSJVLBIKJS-UHFFFAOYSA-N	408.530	3.643	10	20	HHCD	
CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1	812479653	LPJSGSRLBIIYOM-OAQYLSRUSA-N	402.922	3.896	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	813646690	MISDEVAPVVLMTA-UYAOXDASSA-N	416.566	3.602	10	20	HHCD	
COc1ccc(C(F)(F)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	857473301	WJMUJCRIODFOPC-KRWDZBQOSA-N	424.875	3.927	10	20	HHCD	
Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c(Cl)c1	857758836	URCHDFVOYLOBSI-KRWDZBQOSA-N	401.938	3.944	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)n2)c(C)c1	861768003	UNKCOBQZWAOWOS-UHFFFAOYSA-N	415.496	3.559	10	20	HHCD	
CCNC(=O)c1cccc(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1	916221096	NTWFXAKOBQFOQO-UHFFFAOYSA-N	418.541	3.886	10	20	HHCD	
COc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	916456841	VKBRXRKXXHBHIE-UHFFFAOYSA-N	422.447	3.800	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2F)C[C@@H](C)O1	917713581	SJKLDOUCNSBHCW-CHWSQXEVSA-N	421.856	3.931	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1	918048389	YYWLUEMONAPCNP-QGZVFWFLSA-N	410.543	3.706	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CC3CCCCC3)cc2F)C[C@@H](C)O1	918834870	WRYKQLOMJKIBKW-IAGOWNOFSA-N	420.525	3.569	10	20	HHCD	
CCS(=O)(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	1118973911	WNSSEVUFTWEORW-UHFFFAOYSA-N	403.548	3.565	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]4CCCC[C@@H]4C3)cc2F)C[C@@H](C)O1	1317923758	IZAPOQKGGZPEJI-RMVXJAJNSA-N	417.569	3.568	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(Cl)c(O)c(OCC)c3)CC2)cc1	1320219788	WJYIUYQEBRAHEI-UHFFFAOYSA-N	404.894	3.805	10	20	HHCD	
CC(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1	1811263243	DEDVOUFOSFIAGF-LADGPHEKSA-N	416.525	3.829	10	20	HHCD	
C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	47293588	HXSWSHFIEDINLE-AWEZNQCLSA-N	406.885	3.524	10	20	HHCD	
COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C)c(O)c2O)c2ccccc2)c1	110524909	IECJVAIEUSBJOM-NRFANRHFSA-N	407.422	3.952	10	20	HHCD	
C[C@H]1CCCN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	303034062	UQMQZIYKDOQXMI-AZUAARDMSA-N	403.567	3.593	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccnc(OC3CCCCC3)c2)cc1F	303092913	IOAKPJXNVQTKRH-UHFFFAOYSA-N	400.498	3.998	10	20	HHCD	
Oc1c(Br)cccc1CNC[C@H]1CN(Cc2ccccc2)CCCO1	390889714	YZNPFXGPQKWOPP-SFHVURJKSA-N	405.336	3.535	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(C(=O)N=c3cc[nH]cc3)c2)c(C)n1-c1ccccn1	725717250	JKUQPKVFZMBRFK-UHFFFAOYSA-N	411.465	3.811	10	20	HHCD	
C[C@H]1c2cccn2CCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726719662	USCMRRVEZFWRRP-HNNXBMFYSA-N	404.461	3.845	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCO4)SC2=S)cn1	726986416	PNUQPPCRCSVZCZ-MLPAPPSSSA-N	406.872	3.878	10	20	HHCD	
CS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(N3CCCC3)c2)c1	728815600	KHILXRQLOSIFHN-UHFFFAOYSA-N	423.332	3.705	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1	729043276	CKELOKFQNYLDKT-JXFKEZNVSA-N	413.518	3.607	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1O	729561946	JYHJVXQDKBTOGU-HNNXBMFYSA-N	406.866	3.934	10	20	HHCD	
CC(C)OC1CCN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	730571526	WAKWWZHKFMUINW-INIZCTEOSA-N	420.509	3.678	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCn3cc(Br)cn3)cc2)CC1	731016261	FRIJHVFUKCHMLU-UHFFFAOYSA-N	405.340	3.588	10	20	HHCD	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)cc21	734739861	HDFJYJNTVQZJED-UHFFFAOYSA-N	417.487	3.659	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3c[nH]cc3-c3ccc4c(c3)OCCO4)ccc21	742058276	WESBXGBZEHZRMS-UHFFFAOYSA-N	403.482	3.765	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1F	742333940	AOSCLRMEACQMTQ-CYBMUJFWSA-N	418.412	3.514	10	20	HHCD	
Cc1nnc(-c2ccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)o1	747566528	RAWPQFVNIXUNHK-OAHLLOKOSA-N	407.474	3.764	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1	748099608	YZEWYCBNTOYIEJ-OFVILXPXSA-N	420.557	3.523	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CC(=O)N(c2ccccc2F)C1	751305895	MQFMLCHJARYABJ-HNNXBMFYSA-N	415.428	3.527	10	20	HHCD	
CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754541235	GBDJXAVYDDWFRO-HXUWFJFHSA-N	404.466	3.582	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3[nH]c(-c4cccc(OC)c4)nc3C)CC2)cc1	755841092	KPIWRMGJVTWIBS-UHFFFAOYSA-N	420.513	3.801	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccc(Cl)c(Cl)c2O)cc1	756480701	UCTSEKXJHLGUBU-LBPRGKRZSA-N	403.331	3.637	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cc(OC)c(OC)cc2Br)c1	756683276	HRUVHBDGURKBJW-NSHDSACASA-N	424.291	3.809	10	20	HHCD	
CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	757183168	VFNVXDPDNGBULX-KXBFYZLASA-N	415.519	3.941	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(C(=O)NC3CC3)cc2)cc1	757937158	NSINRQHZTAPUPC-UHFFFAOYSA-N	419.447	3.850	10	20	HHCD	
CC(=O)N1CC[C@H](COC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1	758556479	SPYQIIADUZKJEA-INIZCTEOSA-N	419.319	3.882	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCSCc1ccnc(Cl)c1	758584038	RWLSKBFYPIMCSC-UHFFFAOYSA-N	402.998	3.906	10	20	HHCD	
COc1cc(N2CCN(CCOc3ccc(F)cc3Cl)CC2)cc(OC)c1OC	759878269	KTCSUFHKQSDAKB-UHFFFAOYSA-N	424.900	3.706	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cc1	764677403	YGVSZQDMVLVCPB-LJQANCHMSA-N	412.534	3.775	10	20	HHCD	
COc1ccc(C[C@H](C)C(=O)NCc2cccc(Br)c2O)cc1OC	765752288	WCCGCZPNZDOMDY-LBPRGKRZSA-N	408.292	3.667	10	20	HHCD	
Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1NC(=O)c1ccccc1F	768898720	BOBREVDGZOFOGU-UHFFFAOYSA-N	408.429	3.770	10	20	HHCD	
COc1ccccc1OCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768910868	AQFQWASZVADEIN-SFHVURJKSA-N	418.921	3.604	10	20	HHCD	
O=C(CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)cn1	769614062	RHASYBBEQWXICM-QGZVFWFLSA-N	402.878	3.611	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3nc(C)no3)c2C)cc1	769974122	XFPPDYJDMAQSJD-UHFFFAOYSA-N	411.458	3.543	10	20	HHCD	
CCC(CC)n1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	771067642	VBQYUJWXQUMGDM-QGZVFWFLSA-N	404.942	3.998	10	20	HHCD	
CN(C)C(=O)Cn1cc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)cn1	772098090	KYZDAVNNKHKXME-UHFFFAOYSA-N	419.489	3.705	10	20	HHCD	
COc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F	773013262	JXQYYGVMJSDAJQ-NSHDSACASA-N	409.389	3.762	10	20	HHCD	
C[C@@H](NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1)c1ccc(N(C)C)cc1	773617501	DMCMPQHSLDWIPK-GOSISDBHSA-N	400.567	3.638	10	20	HHCD	
CCOC(=O)[C@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1	775632945	DMBPJOQBXLQZRI-JTQLQIEISA-N	421.129	3.692	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)c1ccc(N(C)C)cc1	776244149	FJMZYEXXKJJQBO-DNVCBOLYSA-N	413.497	3.558	10	20	HHCD	
C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	776324046	HKFNMEFIOFIYCX-ZWKOTPCHSA-N	414.550	3.602	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1nnc(-c2ccccc2)n1	777823796	XUGGIQAFEYNIHZ-SFHVURJKSA-N	413.481	3.836	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccnn3CCC(C)C)cc2F)CC1	779470897	KBVIWVQXEJNNTP-UHFFFAOYSA-N	416.545	3.532	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c1	779503577	RQYCFEOTPRZDFG-UHFFFAOYSA-N	401.463	3.747	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1	779511655	VJVLGRFXGVROBC-QCDXTXTGSA-N	406.413	3.819	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2nccnc2c1)c1ccc(N)cc1	783484185	AHXPBNFDZKBTDC-MRXNPFEDSA-N	411.465	3.945	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1	783933038	UUUIOJKEWRESCT-JOCHJYFZSA-N	404.555	3.589	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1F	785432715	HUTWBAPQJLPCQF-IBGZPJMESA-N	405.901	3.675	10	20	HHCD	
CCS(=O)(=O)c1ccc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	786053756	VCQCOCINNFWQAA-HOTGVXAUSA-N	406.523	3.845	10	20	HHCD	
CC(C)Oc1ccccc1CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	786858237	OJQRBWFXIFHYMG-UHFFFAOYSA-N	422.481	3.618	10	20	HHCD	
COC(=O)c1cncc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1	788547160	JBQZNJUGQUBQJB-UHFFFAOYSA-N	415.905	3.507	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(-c3cccnc3)cc2)cc1	788978193	VIQMWTLXKSLWGK-UHFFFAOYSA-N	416.525	3.527	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnc(Br)c(Cl)c3)CC2)cc1	790432877	FHUNHDCEDODFOK-UHFFFAOYSA-N	424.726	3.905	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1	791577892	PHXVKTWKOBHEKI-CQSZACIVSA-N	411.390	3.528	10	20	HHCD	
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1cc(Br)cc(C)c1O	798959100	VWSAVHRDUJPUDX-GOSISDBHSA-N	419.319	3.993	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1nc(C2CCC2)cs1	799447365	TZPFDOYEKLZXLD-UHFFFAOYSA-N	404.511	3.833	10	20	HHCD	
C[C@H]1C[C@H](C)CN(c2nnc(Sc3ncc([N+](=O)[O-])s3)n2Cc2ccco2)C1	799927661	DOBLUZHDCUAKPW-RYUDHWBXSA-N	420.520	3.918	10	20	HHCD	
COCCO[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	799995104	XYCDTMQCWYHKSQ-WMZOPIPTSA-N	409.958	3.523	10	20	HHCD	
C[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc2ccccc2c1O	800990390	RMJTZDXDVLHAJT-CYBMUJFWSA-N	422.909	3.967	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	801551582	OOEDTKIGYWZECF-LJQANCHMSA-N	420.550	3.937	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1	802306292	YTTFIOJPBBHULE-UHFFFAOYSA-N	424.950	3.961	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC(F)F)cc1F	802569195	CMDJPEVGYUNLIV-UHFFFAOYSA-N	423.435	3.869	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-]	804939869	WXVCPJABFFUJIQ-UHFFFAOYSA-N	400.218	3.615	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccccc2CN2CCOCC2)cc1	807167454	AXCZPILDKVAWMX-UHFFFAOYSA-N	424.589	3.707	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)C2CC2)cc1	807504404	ACGWLTMWLYRKNX-FPOVZHCZSA-N	423.532	3.835	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCCCS3)cc2Cl)C1	807954391	QQJFXVUTTNBUDY-DOTOQJQBSA-N	424.010	3.594	10	20	HHCD	
COC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	808244932	DUWWXSFZMMXMQZ-IERDGZPVSA-N	417.937	3.925	10	20	HHCD	
CC[C@@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C(F)(F)F)cc1O	810217321	AKDVAXBVNIHCJN-RHSMWYFYSA-N	407.436	3.830	10	20	HHCD	
CC(C)OCc1nc([C@@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)no1	811517921	DIFRMIMDYMXJJK-OAHLLOKOSA-N	403.483	3.744	10	20	HHCD	
OC[C@H](NCc1cc(Br)ccc1O)c1ccc(Br)c(F)c1	813792655	UCYVACPBGQNIDR-AWEZNQCLSA-N	419.088	3.880	10	20	HHCD	
Cc1nc(S[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[nH]c1C	814777133	MVXUNFNFKURNCJ-CYBMUJFWSA-N	405.479	3.921	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C1CCC(OC[C@@H]2CCCO2)CC1	815046220	MCKSDDUDIBYGJM-VTLFHKLASA-N	418.603	3.610	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@]23CCC(=O)N2c2ccccc2S3)C2CC2)cc1	914484451	MPDWUQZYNDEFDT-QHCPKHFHSA-N	407.539	3.873	10	20	HHCD	
CCc1ccccc1NC(=S)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1	914704050	UWBWJJHCGCOMIO-UHFFFAOYSA-N	403.451	3.856	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1-c1nccs1	915191757	MVOQUNWYKBNZAV-UHFFFAOYSA-N	410.543	3.659	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	915995325	XFJVKXZGNXNXEM-UHFFFAOYSA-N	417.513	3.718	10	20	HHCD	
COc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	916456288	CEFCEGAWLNMWFF-RUDMXATFSA-N	420.431	3.880	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N(C)[C@@H]3CCCc4ccccc43)CC2)cc1	917090011	SZJDPUBNRVIIMD-XMMPIXPASA-N	407.558	3.743	10	20	HHCD	
CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCCN(c2ccc(OC)cc2)CC1	917209220	XZUISHCGPVXIIY-HXUWFJFHSA-N	400.523	3.701	10	20	HHCD	
O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCc1ccc(O)c(O)c1	917356516	XKZUETWVHQCPJY-UHFFFAOYSA-N	401.466	3.728	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCc3ccc(N(C)C)cc3)cc2F)C[C@@H](C)O1	917710540	JVUBQAJFZKZCKV-QZTJIDSGSA-N	413.537	3.754	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(Cl)c1Cl	918439147	TWTULLRFCCCEIN-UHFFFAOYSA-N	424.353	3.802	10	20	HHCD	
O=C(CCCOc1cccc(F)c1)NCc1ccc(N2CCC(CO)CC2)cc1	919968430	NXIORMGNYSKRER-UHFFFAOYSA-N	400.494	3.510	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cnc(-c2ccccc2)nc1	920938477	KRCJJLNJARAGKA-UHFFFAOYSA-N	421.476	3.566	10	20	HHCD	
COCCCN1CCC(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1	1115964412	YHQOLXWDGBZQGD-UHFFFAOYSA-N	403.954	3.978	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(OCC(F)(F)F)cc3)CC2)cc1	1319624833	YMECOLPGJCIMBS-UHFFFAOYSA-N	408.420	3.989	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccnc(Cc2ccccc2)n1)c1ccc(N2CCOCC2)cc1	1320875310	WTKMVQXTVFQSBL-GOSISDBHSA-N	417.513	3.787	10	20	HHCD	
Cn1ncc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)s4)cs3)cnc21	1321447956	HSJQSDAHOQIBPN-UHFFFAOYSA-N	411.921	3.608	10	20	HHCD	
C[C@@H]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H](n2cncn2)C1	1321812260	YCRDWESSDCDTRZ-CDHQVMDDSA-N	423.483	3.653	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1C1CCCC1	1323149137	HVXYURNSWKMLSV-HOTGVXAUSA-N	414.525	3.989	10	20	HHCD	
C[C@H](OC(=O)c1cccc(F)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21458171	OLPMPKRKSGFKEF-ZDUSSCGKSA-N	417.392	3.785	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnnn2CC(F)(F)F)c1C	60350111	CZGLJBVQTDVBKU-UHFFFAOYSA-N	409.437	3.926	10	20	HHCD	
Fc1cc(CNCc2ccccc2OCc2cccnc2)ccc1N1CCOCC1	48748782	HQQNFWVILAPSID-UHFFFAOYSA-N	407.489	3.926	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1	237025769	RDCUNIJUWGNPJP-UHFFFAOYSA-N	415.603	3.997	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)CC2)cc1	247970152	CWMIVGWTKXFGEO-UHFFFAOYSA-N	419.529	3.861	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc([N+](=O)[O-])c1Cl	809913400	IPAAKBKZRQPZRK-UHFFFAOYSA-N	422.844	3.670	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC(F)(F)C2)cc1)C1CCCCC1	803678084	XOPWQRAMPXCOOV-QGZVFWFLSA-N	407.505	3.623	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@]1(Cc2ccc(Cl)cc2)CCOC1	800712397	PDRCWLKLSQNEHM-SFHVURJKSA-N	411.980	3.980	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cc(Br)cn(C)c1=O	801637949	NXOLSVSFQTXXPY-UHFFFAOYSA-N	408.296	3.688	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	806822348	XTWLAZDZQHNVHM-VWLOTQADSA-N	406.574	3.869	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1Br	808114734	GRTGVGLNEFEONZ-UHFFFAOYSA-N	410.648	3.757	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(OC(=O)N(C)C)CC2)c(C)n1-c1ccc(Cl)cc1	818659485	DFNMEEGUWFKVOH-UHFFFAOYSA-N	417.937	3.979	10	20	HHCD	
Cc1cc(C)c([C@H](C)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c(O)c1	815561984	UUILLXDEYRGGKN-IBGZPJMESA-N	411.546	3.521	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)Cc2occc2C)c([N+](=O)[O-])c1Br	813632278	BAGRMWSWKRYWFR-UHFFFAOYSA-N	400.185	3.812	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)CCC3CCOCC3)cc2Cl)C1	814276043	LRBJNFWCNBWMDO-MRXNPFEDSA-N	414.999	3.812	10	20	HHCD	
CC[C@H]1[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CCN1C(=O)OC(C)(C)C	813032911	WZWIYRBSVQZBCZ-SJORKVTESA-N	403.523	3.514	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(CC(=O)N(C)C)cc3)ccc21	482963676	YUCDZUQMODJBEN-UHFFFAOYSA-N	407.514	3.788	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3ccc4occc4c3=O)c2C)cc1	728287996	RLVKVBBBGUPHRT-UHFFFAOYSA-N	404.422	3.672	10	20	HHCD	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CCCN1CCOCC1	814284849	CBEYRQNTENSMGI-XNTDXEJSSA-N	417.383	3.917	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(N)c4ccccc4n3)ccc21	728636837	CFJSYQVUKVCNEK-UHFFFAOYSA-N	404.470	3.787	10	20	HHCD	
CC(C)c1nnc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)o1	726991523	ZIQVUVTWUZTWRL-UHFFFAOYSA-N	410.813	3.979	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCn2ccccc2=O)cc1	732114926	PWGDUAIQYVJEPD-UHFFFAOYSA-N	405.498	3.546	10	20	HHCD	
O=C(Cc1cc(Cl)c2c(c1)OCCO2)N(Cc1ccccc1O)C[C@H]1CCCO1	731857294	ZMUYBDYMURQRML-QGZVFWFLSA-N	417.889	3.567	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3nc(C(C)(C)C)ns3)cc2F)C[C@@H](C)O1	734932864	JRKABTRNNKIGNM-CHWSQXEVSA-N	421.542	3.910	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC(NC(C)C)CC3)c2C)cc1	731032145	UHHUFAOVWUESRX-UHFFFAOYSA-N	411.546	3.526	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccc3c(c2)OCCO3)cc1	914454781	RRNDURDXJFRBHI-UHFFFAOYSA-N	406.482	3.888	10	20	HHCD	
Cc1cc(C(=O)NCCCC(=O)N2Cc3ccccc3C2)c(C)n1-c1ccccn1	732164475	NPPBYLJJXQEUQB-UHFFFAOYSA-N	402.498	3.542	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCc2ccccc21	916622572	APWSNFPMXNFGOE-NQIIRXRSSA-N	409.530	3.534	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCOCc3ccccc3)cc2F)C[C@@H](C)O1	918161978	QHZYCZHSRZVGAZ-HDICACEKSA-N	400.494	3.662	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2)NC(=O)OC(C)(C)C)cc1	742751362	SRBGEYYJGVYMSC-IBGZPJMESA-N	401.482	3.888	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc(-c2nnc3n2CCC3)c1	915341526	XWTBNCVRLQICNH-UHFFFAOYSA-N	402.502	3.813	10	20	HHCD	
CCN(CC)C(=O)N1CCC(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1	915260861	GILOYIPPDDSPDN-UHFFFAOYSA-N	402.583	3.665	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1	745779698	QCSGGFBMSSXJSX-IFMALSPDSA-N	422.573	3.861	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)c(C)nc3O)CC2)cc1	749865336	JEPLHJDXZBSQHQ-UHFFFAOYSA-N	403.482	3.734	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(OC2CCCCC2)CC1	747860628	JVSBFLQERFLHAV-UHFFFAOYSA-N	401.551	3.547	10	20	HHCD	
O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1	741136078	CDVJBMLHWDULLI-UHFFFAOYSA-N	413.543	3.995	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)c1	749544130	OEDVDPCGNYPSBR-IBGZPJMESA-N	424.522	3.520	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1	741096404	ATSULCFUIJLJBI-UHFFFAOYSA-N	408.546	3.696	10	20	HHCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(CNC(=O)c2cccs2)cc1	918371489	IYPRIBZFJDCPGB-UHFFFAOYSA-N	421.522	3.767	10	20	HHCD	
O=C(NCc1coc(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	745847185	MPWKJDMOMLOHQL-HXUWFJFHSA-N	407.470	3.938	10	20	HHCD	
COc1cc(OC)c2cc(C(=O)NCc3c(O)ccc4c3CCCC4)[nH]c2c1OC	743719883	YKPUUNIVFXRFBC-UHFFFAOYSA-N	410.470	3.708	10	20	HHCD	
COC[C@@](C)(O)C(=O)OCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	745319433	WOQLANCDWATECS-LJQANCHMSA-N	414.285	3.524	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1	742468305	BJPGGJJGKUDZBY-QHCPKHFHSA-N	405.542	3.527	10	20	HHCD	
CCOC(=O)N1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	748462030	RDMHKYJZDLKMNF-UHFFFAOYSA-N	416.566	3.829	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1Cc2cc(F)ccc2O1	742799377	KCBCXYLSQXGYRP-KXBFYZLASA-N	406.404	3.516	10	20	HHCD	
Cc1ccc([C@@H](C)C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1	745663821	FWHABFUPYLBROZ-CQSZACIVSA-N	417.417	3.649	10	20	HHCD	
CC(C)(C)c1nc2cc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)ccc2o1	741100048	QSOKYABJAJJIDI-UHFFFAOYSA-N	418.497	3.756	10	20	HHCD	
CCCNS(=O)(=O)c1ccc(NC(=O)N(CCC)Cc2ccccc2O)cc1	743213766	OWOOROMQAMOQRC-UHFFFAOYSA-N	405.520	3.525	10	20	HHCD	
Cc1ccc(-n2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)nn2)cc1	754537477	PHYVZAJSSPRAHM-UHFFFAOYSA-N	408.417	3.603	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1	758778903	NFFHXQHOERVJQE-HKUYNNGSSA-N	418.582	3.896	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(Br)cc(F)c1O	756544730	VIGIBZDJHQVCEM-ONGXEEELSA-N	420.225	3.663	10	20	HHCD	
CC(C)N1CC[C@H](N[C@H](C)c2cc(Br)cc(Br)c2O)C1=O	756710122	UZVQXQQQOAIBGL-RNCFNFMXSA-N	420.145	3.577	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)cc1	758258790	DRWZYFCDCYMOGL-UHFFFAOYSA-N	418.563	3.593	10	20	HHCD	
C[C@H](NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cc(Br)cc(F)c1O	756367520	NEYHKOOYYSSDSM-UPJWGTAASA-N	403.336	3.832	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](c3ncccc3C)C(C)C)CC2)cc1F	753920298	VFRNTOVVSQHXNH-FQEVSTJZSA-N	400.498	3.767	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	757651740	FQBSDUVMCRQCTQ-SXWKCWPCSA-N	422.573	3.546	10	20	HHCD	
COc1ccccc1N1CC[C@@H](N[C@H](C)c2cc(Br)cc(F)c2O)C1=O	756741090	BTMFEWRQQAJVPE-IAQYHMDHSA-N	423.282	3.759	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1	759270767	BBJLMNQHSVHNOX-IBGZPJMESA-N	407.436	3.838	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@]1(C)CCO[C@@H]1C1CC1	768528905	LUXGLWXJTVEELK-MJGOQNOKSA-N	411.340	3.891	10	20	HHCD	
O=C(NCCCCOc1ccc(F)cc1)NCc1cccc(Br)c1O	764762361	QOIWRXGFHFIYTF-UHFFFAOYSA-N	411.271	3.952	10	20	HHCD	
CC1(C)C(=O)Nc2ccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)cc21	768975533	HSAIXGBFVHSMJL-UHFFFAOYSA-N	418.541	3.701	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc2nc(C(F)(F)F)cn2c1	765733166	USMJNZQNASXFHQ-UHFFFAOYSA-N	414.181	3.751	10	20	HHCD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Br)c1O	765731430	JBJRTFGSCMDNRT-CYBMUJFWSA-N	407.264	3.948	10	20	HHCD	
Cc1cc(C)n(-c2ccccc2CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1	761727489	UORPQNALTAOJLO-UHFFFAOYSA-N	424.888	3.813	10	20	HHCD	
COc1ccc(F)cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	768911815	CWPMXOYGLWNHED-KBPBESRZSA-N	405.445	3.909	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1csc(-c2ccccc2)n1	774813547	CZGWIYWTQWFOPI-UHFFFAOYSA-N	423.538	3.613	10	20	HHCD	
Cc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1	779154856	JKKHEBKBBPAIOO-UHFFFAOYSA-N	414.893	3.647	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(SC(F)F)nc2)C2CC2)cc1	771201824	OKLHCPUXVFAKMO-UHFFFAOYSA-N	420.485	3.592	10	20	HHCD	
CC(C)N1C(=O)C[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1	778929509	MKIUMYJKLOECRT-VBKZILBWSA-N	420.868	3.505	10	20	HHCD	
CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)cc1	777822189	DIKFOJICPOQNSJ-QGZVFWFLSA-N	424.522	3.704	10	20	HHCD	
C[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc2N1C(=O)/C=C\c1cccnc1	776972778	AXVRDACHVGRXFJ-KEKWGHABSA-N	410.477	3.972	10	20	HHCD	
CN1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c2ccccc2C1=O	782348982	WTZQUGJWKLJOEZ-HSZRJFAPSA-N	417.509	3.744	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(SC(F)F)nc1	783315425	DAYHDHUBMCJBTC-UHFFFAOYSA-N	422.501	3.838	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C3(C)CCCCC3)cc2F)C[C@H](C)O1	781268448	MEORIRYWXRXECP-IRXDYDNUSA-N	420.525	3.569	10	20	HHCD	
COc1ccc(NCc2c(O)ccc(Cl)c2F)cc1S(=O)(=O)N1CCCC1	796437927	ILXXPUPEZNXXCM-UHFFFAOYSA-N	414.886	3.590	10	20	HHCD	
COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c(O)c1	794373911	OMOGNEQKTNYAPS-UHFFFAOYSA-N	407.426	3.851	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3nncn3C(C)C)c2C)cc1	795636128	JUCNGLVSSGGXBN-UHFFFAOYSA-N	409.534	3.980	10	20	HHCD	
CC[C@H]1NC(=O)N(c2cccc(NCc3cc(Br)cc(C)c3O)c2)C1=O	793347752	QRFDJCRDQFYZDZ-MRXNPFEDSA-N	418.291	3.910	10	20	HHCD	
Cc1noc(-c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2)n1	1317928246	DQQVMZKWYIEVNO-HUUCEWRRSA-N	424.476	3.728	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(F)cc4)c3C)CC2)cc1	1319398017	XKUNBDNUFJHLNM-UHFFFAOYSA-N	408.477	3.681	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H]3OCCC[C@H]3C2)c(C)n1-c1ccc2c(c1)OCCO2	1319584808	UIAPFUNXNHGVDV-PGRDOPGGSA-N	410.514	3.549	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1	1325023236	LESZWQVGRHASIA-NFBKMPQASA-N	410.581	3.578	10	20	HHCD	
Cc1cc(-c2nnc(CS[C@H]3CCS(=O)(=O)C3)o2)c(C)n1-c1ccccc1	1322094246	UYMVACXCWOMERN-INIZCTEOSA-N	403.529	3.564	10	20	HHCD	
COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1320246285	LALGRGWKJHNANI-OAHLLOKOSA-N	402.800	3.971	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](CO)CC2CCOCC2)c(C)n1-c1ccc(Cl)cc1	1320876726	QGZDZRXRFMEIOD-SFHVURJKSA-N	404.938	3.903	10	20	HHCD	
C/C(=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1351550323	YQIYLDZTYSMJGP-RCWYCCQCSA-N	422.573	3.820	10	20	HHCD	
O=C(COC(=O)CCc1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	10624331	QRLBUYZNANAFIM-UHFFFAOYSA-N	413.429	3.577	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)(F)F)cc1	29211520	OMEYUFJZYXYSEL-UHFFFAOYSA-N	408.336	3.980	10	20	HHCD	
Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	302961301	GMRWICVFTUBMHI-UHFFFAOYSA-N	412.505	3.683	10	20	HHCD	
CN(Cc1ccccc1O)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1	303418836	XHTYUHADVIPYMY-QHCPKHFHSA-N	404.466	3.610	10	20	HHCD	
COc1ccc(N(C)Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1OC	140330282	XPZNBJZVCKRMEG-UHFFFAOYSA-N	402.451	3.583	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807837272	JLEXXUCACKLRFJ-NSHDSACASA-N	403.306	3.962	10	20	HHCD	
O=C(CN1CCC[C@@H](c2nc(O)n[nH]2)C1)Nc1ccc(N=Nc2ccccc2)cc1	808775864	LYYKXPCZWCBSRL-OAHLLOKOSA-N	405.462	3.744	10	20	HHCD	
Cc1c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccc(Cl)cc1	808916121	NRBLJQAOZQBQKD-LBPRGKRZSA-N	400.866	3.998	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1nn(C)cc1Br	814625731	UDLLHPQFPTVBBT-UHFFFAOYSA-N	403.118	3.673	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(-c3ccsc3)nn2C)ccc1NC(=O)C1=S=CC=C1	488317831	WGTJUAYMPPLCAE-UHFFFAOYSA-N	422.535	3.925	10	20	HHCD	
O=C(c1cccc(O)c1O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1	816819705	NDIVUCQIYZVQHH-NRFANRHFSA-N	417.509	3.800	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cccc(OC)c3OC(F)F)SC2=S)cn1	726197496	KWAMUGGAIPJLFK-NTUHNPAUSA-N	411.455	3.919	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1OCCc2sccc21	813583757	AYOOSIXDAQGKJH-MGPUTAFESA-N	417.600	3.803	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2Br)c1	728978120	MSVUENOPCKRUNQ-QWRGUYRKSA-N	412.255	3.947	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)CC2)cc1	726594545	QIBGTIOMRJBMBR-UHFFFAOYSA-N	410.474	3.577	10	20	HHCD	
CC(C)N(CCCNC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C	729051799	XXXQFEFNYMLZAI-UHFFFAOYSA-N	410.534	3.727	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)N2CC(C)(C)c3c(Cl)cccc32)c1	729062829	FMSWURIIAJFSCB-LBPRGKRZSA-N	402.878	3.556	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(N4CCCC4=O)CC3)c2C)cc1	729482277	MUAPYMVPRWNJBL-UHFFFAOYSA-N	423.557	3.762	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1F	729604468	ACKPPTZYMCTFHJ-UHFFFAOYSA-N	422.508	3.766	10	20	HHCD	
Cn1nc(C(C)(C)C)cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726567555	QKDSPEHAJHGMNT-UHFFFAOYSA-N	406.477	3.718	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(O)nc2ccc([N+](=O)[O-])cc12	732278339	IVMUISHQRLONMO-UHFFFAOYSA-N	406.442	3.769	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2ccc(-n3cncn3)c(F)c2)C1	733334327	GUTZAZMQJCISOZ-GOSISDBHSA-N	415.900	3.520	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccc(F)c(F)c3)cc2F)CC1	730133232	MTBDXBIGIFVZLT-UHFFFAOYSA-N	420.479	3.587	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1F	731347040	JRXKBBMKZPZBNP-UHFFFAOYSA-N	412.461	3.782	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCC(C)(C)c2cccc(Br)c2)c1	734068442	DWGYRJOORCWRCB-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl	735753736	ZOOIIEJPYDRXOW-CQSZACIVSA-N	417.893	3.846	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](NC(C)=O)Cc4ccccc43)ccc21	676678600	CHDGYIBGRLVKML-OAQYLSRUSA-N	419.525	3.612	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)s1	747773640	ASIZZBALJPGTAT-UHFFFAOYSA-N	422.554	3.894	10	20	HHCD	
COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1	747856465	UYMYXUWGPWIIIX-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
C[C@H](Oc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cn1)c1ccccc1	919765793	KBOLSHLSFKSZBU-IBGZPJMESA-N	417.509	3.988	10	20	HHCD	
O=C(CNc1ccccc1-n1cccn1)Nc1cccc2c1C(=O)c1ccccc1C2=O	917813804	JREYWMONTZRGPR-UHFFFAOYSA-N	422.444	3.698	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](c3c(F)cccc3Cl)N(C)C)CC2)cc1	740741243	UHAQTNDYGZNASV-NRFANRHFSA-N	419.928	3.829	10	20	HHCD	
CC[C@@H]1CCCCN1CCNC(=O)N(CC)Cc1cc(Br)ccc1O	745831167	TUHHNPASWWEKAF-QGZVFWFLSA-N	412.372	3.951	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O	744878497	YRUIVUSZWOUWNQ-QHCPKHFHSA-N	420.557	3.619	10	20	HHCD	
C[C@H](NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc(Br)c(F)cc1O	756764346	GQPPHXKJIMJRAR-UYHISHBKSA-N	415.347	3.712	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncoc1C(F)(F)F	857456171	KYDNPPFRKINAID-JTQLQIEISA-N	405.323	3.694	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1	920238126	RGIRDWDTSRLKIN-FQEVSTJZSA-N	424.589	3.753	10	20	HHCD	
C[C@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1ccc(N2CCOCC2)cc1	857758564	KTEVSIQBSZLJLW-GOSISDBHSA-N	404.514	3.530	10	20	HHCD	
C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1cc(Br)cc(F)c1O	756587204	ZWCZPSJEZJTFRO-MRVPVSSYSA-N	423.208	3.865	10	20	HHCD	
COCCN(C)CCOc1cccc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)c1	756539044	HDPGCGOPCWNNNF-OXJNMPFZSA-N	402.510	3.826	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1F	753740046	LSXKOVQQBZUUAK-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cncc(Cl)c3)n2)cc1[N+](=O)[O-]	754694130	MPRPCRRZPLEQBA-UHFFFAOYSA-N	410.864	3.876	10	20	HHCD	
Cc1cc(Cl)ncc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	769723049	IADBNKFTRBZBQT-UHFFFAOYSA-N	421.796	3.979	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3cc(F)ccc3Br)SC2=S)CC1	761180191	JCBVMJJKQWINGX-NTEUORMPSA-N	415.353	3.884	10	20	HHCD	
O=S(=O)(c1ccc(Cl)s1)N1CCCN(Cc2c(O)cccc2Cl)CC1	769244775	PCHMEQRFADCEPV-UHFFFAOYSA-N	421.371	3.657	10	20	HHCD	
CC(C)c1ccc(C[C@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1	764450371	PAJSZNMEBFHJIY-QGZVFWFLSA-N	416.543	3.592	10	20	HHCD	
CCc1ccc(C(=O)N2CCN(Cc3cccc(Br)c3O)CC2)cc1	768334965	SIBADYMDLPASJJ-UHFFFAOYSA-N	403.320	3.675	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H](C)c3ccc(C)s3)CC2)cc(OC)c1OC	760096360	REQUARPWXCCTBO-OAHLLOKOSA-N	419.547	3.675	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)cc1	762609793	LVMLVBDIDAFUIA-UHFFFAOYSA-N	404.555	3.541	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1	767796342	SMCUZYVUWQEUBS-UZLBHIALSA-N	414.502	3.919	10	20	HHCD	
CC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccc(Cl)c(Cl)c1O	775491776	JHHJDFHAVTYNML-HNNXBMFYSA-N	403.331	3.848	10	20	HHCD	
Cc1cc(CC(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)c(C)n1-c1ccc(Cl)cc1	779076029	NQFJOYSQVUJQDN-RTWAWAEBSA-N	414.933	3.887	10	20	HHCD	
CCO[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1	771064063	GYNXHOYLUYMAPC-FPOVZHCZSA-N	402.922	3.904	10	20	HHCD	
Cc1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1	772440551	KVJLSPNVPPQDLL-UHFFFAOYSA-N	405.502	3.681	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc(N(C)C)cc1	775479077	CILLGACHKMCTMB-CYBMUJFWSA-N	408.424	3.927	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\c1nc2ccccc2s1	777828991	RYORZHDBHGTCTQ-HJWRWDBZSA-N	416.886	3.870	10	20	HHCD	
COc1c(F)ccc(F)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771059472	RQKDBPARPSSPDY-CQSZACIVSA-N	410.848	3.727	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H](O)c1c(Cl)cccc1Cl	771844213	RIDFOAGHAXRHSU-VFNWGFHPSA-N	408.373	3.957	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccn(C2CCCC2)n1	771069482	ZBDKIASRHXSIGH-KRWDZBQOSA-N	402.926	3.752	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)cc1	785424066	DOGRKKBOUIZSLI-UHFFFAOYSA-N	422.356	3.770	10	20	HHCD	
CCOc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	785748711	CKZGZVFYQGVBIN-QGZVFWFLSA-N	409.530	3.520	10	20	HHCD	
COc1ccc(C[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	781149189	LKKNPYZYWMBVFK-QZTJIDSGSA-N	412.530	3.596	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cc(-c2ccccc2)ns1	784739681	OZHLOKMUVPSYBJ-UHFFFAOYSA-N	404.542	3.504	10	20	HHCD	
COc1ccc([C@@H](CN(C)C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	793574586	USQMEHBAXPJRRP-VGOFRKELSA-N	401.526	3.624	10	20	HHCD	
COCCOC[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	799992967	BKWZXQHJEOXTMA-HKUYNNGSSA-N	423.985	3.771	10	20	HHCD	
COc1ccc(CNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c(O)c1	794379642	UGANKYOMPVUJCV-UHFFFAOYSA-N	406.467	3.640	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3cncnc3)c2C)cc1	796164859	DTLPWUBVFYDUSW-UHFFFAOYSA-N	407.470	3.642	10	20	HHCD	
Cc1ccc(CCNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)c1	793759907	FXBVQPDSSFJTER-UHFFFAOYSA-N	407.558	3.611	10	20	HHCD	
CC[C@H]1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C[C@H](C)S1(=O)=O	1323306126	REMVECZNIFZGJC-RDJZCZTQSA-N	408.951	3.785	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3C[C@@H]3C3CC3)C2)cc1	1841273987	RHGOXFMSHDYYTK-DHIUTWEWSA-N	417.553	3.957	10	20	HHCD	
CC(C)CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1	1787664713	JCPSJMCSKFFYJO-VZUCSPMQSA-N	424.497	3.997	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)C2=COCCO2)c(C)n1-c1ccc(OC(F)F)cc1	3533444	NOSQZUKFXOTLKQ-CQSZACIVSA-N	421.396	3.698	10	20	HHCD	
COc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)ccc1OCCC(=O)O	210449480	ODSFSJTYKCBTEY-PDGQHHTCSA-N	412.467	3.940	10	20	HHCD	
COc1ccc(N2CCC(Nc3c(Br)cncc3[N+](=O)[O-])CC2)cc1	301849939	WKFKNWDPEWVBOY-UHFFFAOYSA-N	407.268	3.842	10	20	HHCD	
Cc1c(CNC(=O)CCCCN2C(=O)c3ccccc3C2=O)n(C)c2ccccc12	548100070	AJOQGMKYOOYVPR-UHFFFAOYSA-N	403.482	3.569	10	20	HHCD	
COc1cccc(-n2ccnc2SCC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	728977879	GOTNUVRJJRZDMO-AWEZNQCLSA-N	413.499	3.565	10	20	HHCD	
COC(=O)CN(Cc1coc(-c2ccc(OC)cc2)n1)Cc1cc(Cl)ccc1O	731844506	DLRCEMDVGSXWNK-UHFFFAOYSA-N	416.861	3.884	10	20	HHCD	
CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2cc(OC)ccc2O)CC1	734061365	NUTKIMKHZADXOS-UHFFFAOYSA-N	418.925	3.518	10	20	HHCD	
CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccc(N(C)C)cc3C)cc2)c1C	734402029	COYDAAAAGIKBMS-UHFFFAOYSA-N	420.513	3.662	10	20	HHCD	
CC(C)(C)Oc1ccccc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	734653841	MTTUAFKGZRJWMU-GOSISDBHSA-N	424.545	3.887	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cn3cc(-c4ccccc4)cn3)cc2F)C[C@@H](C)O1	735980415	ZFWYRQHYUYYHPZ-HDICACEKSA-N	422.504	3.619	10	20	HHCD	
Cc1cc(C(=O)Cn2ccc3occc3c2=O)c(C)n1-c1ccc2c(c1)OCCO2	737399345	MRZJLEVJPUQWGE-UHFFFAOYSA-N	404.422	3.656	10	20	HHCD	
CCc1ccccc1N1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CC1=O	742475618	HSHXBSBPPRBDAK-OAQYLSRUSA-N	405.542	3.909	10	20	HHCD	
CC(=O)NC[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1	742615616	VPBNYCCZJPMXSC-KRWDZBQOSA-N	419.928	3.917	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)NC(=O)OC(C)(C)C)cc1	742753849	LYZNJRJKUBRGEW-FQEVSTJZSA-N	415.509	3.816	10	20	HHCD	
O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806670	ULGAXAIOLBBFBM-QGZVFWFLSA-N	402.441	3.551	10	20	HHCD	
O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1c(O)ccc2c1CCCC2	743715984	GJYKJBSTZIAMGY-UHFFFAOYSA-N	400.862	3.539	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc(-n2cccn2)c1	745933573	ROOVJWKNIRRGEV-IBGZPJMESA-N	419.529	3.612	10	20	HHCD	
Cc1cc(C)c(N2C[C@H](C(=O)NCc3ccc4c(c3)CCCN4C)CC2=O)c(C)c1	746812726	JRRVWBZCDRKOOF-OAQYLSRUSA-N	405.542	3.664	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1F	746864622	NCRKARNTXFVSGQ-QFIPXVFZSA-N	405.473	3.679	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1	747150782	KJJGUOQKCBBLAO-UHFFFAOYSA-N	423.966	3.830	10	20	HHCD	
CCCCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C	748970488	NRYBPKGFBABADP-LEWJYISDSA-N	403.567	3.648	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)c1	749570508	KZVZZKOZTIKGOP-UHFFFAOYSA-N	402.454	3.711	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2	750253081	IKDLKTSLYAGTKX-UHFFFAOYSA-N	419.525	3.793	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCOc3ccccc3Cl)CC2)cc1	752227518	LRLRJEOECSYQQS-UHFFFAOYSA-N	403.910	3.649	10	20	HHCD	
C[C@@H](CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)N1CCCCC1	753108953	OUVQLICOYKMYNU-IPMKNSEASA-N	420.573	3.503	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c(C)n1-c1cccc(Cl)c1	753689535	KFTOJKODQGIXMK-UXHICEINSA-N	420.962	3.929	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1Cn1cnc2ccccc21	756072008	RWRRNDFUMLZKEJ-OAQYLSRUSA-N	401.514	3.787	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc2)CC1	758062505	KOPCDIMPHXMRMR-FQEVSTJZSA-N	421.585	3.974	10	20	HHCD	
Cc1c(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cnn1C	759763260	AUMZVEHGMOIRIJ-UHFFFAOYSA-N	401.308	3.829	10	20	HHCD	
CO[C@@](C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1F	760454574	LHVYIBBBFADPQB-HTAPYJJXSA-N	420.912	3.827	10	20	HHCD	
O=C1NC2(CCCCCC2)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	761162705	VEQHBEJUXOTXOG-UHFFFAOYSA-N	407.461	3.902	10	20	HHCD	
CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccc(Br)c1O	765751622	IAPXWIJCCKZEFB-UHFFFAOYSA-N	415.328	3.856	10	20	HHCD	
CCN(CCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)OC(C)(C)C	765754774	RRJOUZNOBVMLLK-QGZVFWFLSA-N	409.546	3.960	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)c1ccc(N2CCOCC2)cc1	766160197	BNSOVXCXPMHENF-HNNXBMFYSA-N	409.490	3.613	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NC3CCN(c4ccccn4)CC3)C2)cc1	766238691	WONQKKBZTCABLY-SFHVURJKSA-N	402.489	3.910	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1	766362960	UCHIOEUMVMTSCT-DOPJRALCSA-N	404.432	3.921	10	20	HHCD	
COc1cccc(CN2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1O	768532493	LCWQYJRYOFIPBC-QGZVFWFLSA-N	408.502	3.638	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(C)c1C(F)(F)F	769296490	IRSCWNNAAYKDMS-UHFFFAOYSA-N	406.202	3.569	10	20	HHCD	
C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769671211	IAHZLBNBXWWRIK-LLVKDONJSA-N	416.421	3.616	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(OC[C@H]2CCCO2)cc1	771878687	LVJQMRFEGUFPNA-GOSISDBHSA-N	416.861	3.572	10	20	HHCD	
C[C@H](NC(=O)c1ccc(Br)cc1-n1cncn1)c1ccc(N(C)C)cc1	773026432	RDFJYCAVQBGSNN-ZDUSSCGKSA-N	414.307	3.587	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccc(OCCN2CCCC2)cc1	774771905	WQEAAOZEWUJACP-UHFFFAOYSA-N	424.589	3.611	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1O	775061078	QJYWTNPXMKYLAX-VAMGGRTRSA-N	411.502	3.699	10	20	HHCD	
CC[C@@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)c(Cl)c1O	775500878	MCBKOCXSCRBWLW-QRWLVFNGSA-N	422.312	3.995	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@H](c4ccc(OC(F)F)cc4)C3)cc2)CC1	775676282	PBWKQTRDGBEXJQ-QFIPXVFZSA-N	417.500	3.613	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c1O	775998822	TVCQNCCNPQMTOZ-UHFFFAOYSA-N	424.310	3.872	10	20	HHCD	
COc1ccc(O)c(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1	776002954	WKQXLVMKKQSHAO-SFHVURJKSA-N	408.420	3.873	10	20	HHCD	
COC(=O)[C@H](NCc1cc(Br)cc(OC)c1O)c1ccc(C)c(C)c1	779179420	DOELYDSLQFDOFC-QGZVFWFLSA-N	408.292	3.784	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1	783113866	CWTKIDOMUXYHMW-UHFFFAOYSA-N	406.364	3.667	10	20	HHCD	
CC(C)(C)c1nsc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)n1	784060380	YEKYSFNXCRTSHM-UHFFFAOYSA-N	401.536	3.722	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)c(F)c1	784072505	ODGNMGMIJSLSBW-UHFFFAOYSA-N	400.347	3.750	10	20	HHCD	
CN1CCN(c2ccc(CNc3nnc(-c4cccc(OC(F)F)c4)o3)cc2)CC1	788865948	VLFZKIXTWLINFU-UHFFFAOYSA-N	415.444	3.702	10	20	HHCD	
COc1ccc(C)cc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	789376030	XVPSECSFVAFHCZ-UHFFFAOYSA-N	410.514	3.687	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCc3cc(Cl)ccc3C2)c1	790441286	ILJBTAQLQAZJFC-UHFFFAOYSA-N	414.933	3.639	10	20	HHCD	
OC[C@@H](C[C@H](O)c1ccccc1)NCc1ccc2c(c1)CCN2Cc1ccccc1	796338832	PZWVKHJBFBYHJM-RSXGOPAZSA-N	402.538	3.824	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1	796769640	NECACDOFYCZIRD-UHFFFAOYSA-N	421.400	3.789	10	20	HHCD	
Cc1c(NCc2cccc(Br)c2O)cccc1N1C(=O)CCNC1=O	800293713	IGBGMPKDKUAQHN-UHFFFAOYSA-N	404.264	3.522	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(OC)c(C(=O)OC)c1	801985725	FQRYMVCGQJEYTR-UHFFFAOYSA-N	400.475	3.699	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1	802079176	COURFFDATZHSQF-MHECFPHRSA-N	421.545	3.757	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nc2ccccc2s1	804166985	FYPHMFXQBIZOCG-HNNXBMFYSA-N	422.554	3.731	10	20	HHCD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1	806899336	DCQPHZNFKXSAGK-RUYXUALKSA-N	411.546	3.815	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)C2CC2)cc1	807177912	FUDPBMXGNLUKTB-XUZZJYLKSA-N	419.569	3.771	10	20	HHCD	
Cc1cccc([C@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	807468792	BGEJMJQTCGNBIO-HXUWFJFHSA-N	407.558	3.864	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@H]2CCNC(=O)OC(C)(C)C)c1O	809723306	FZGUDNTZSMHRTE-HNNXBMFYSA-N	409.483	3.578	10	20	HHCD	
COc1cccc(CN(CCN(C)C)Cc2cc(Br)cc(OC)c2O)c1	809751702	IRYNQWZKDNDZSS-UHFFFAOYSA-N	423.351	3.736	10	20	HHCD	
COc1ccc(C[C@@](C)(O)CNCc2cc(Br)cc(C)c2O)cc1OC	811515677	COQNROYUGWOTSP-HXUWFJFHSA-N	424.335	3.564	10	20	HHCD	
Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1Cl	811704997	IGWKLLIIFQZAML-UHFFFAOYSA-N	413.879	3.778	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCOC1	812381661	ZIHBIPBVPGALOT-INIZCTEOSA-N	403.486	3.805	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1cc(Cl)cc(Cl)c1O	813682399	CWEOIGGLGMQALJ-UHFFFAOYSA-N	405.285	3.764	10	20	HHCD	
C[C@H](NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21)c1ccc(N2CCOCC2)cc1	814112791	BQFAGZPQTBRVCR-QYWGDWMGSA-N	400.544	3.712	10	20	HHCD	
CC(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cs1	815046075	YNDUOCUWKZXGDH-UHFFFAOYSA-N	412.433	3.736	10	20	HHCD	
C[C@H](NCc1ccccc1OCCN1CCOCC1)c1cccc(C(F)(F)F)c1O	815568970	AROJYMXRGXUDOX-INIZCTEOSA-N	424.463	3.973	10	20	HHCD	
O=[S@@](c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1)C(F)(F)F	864007562	KTAQOEVVPYFRBW-MHZLTWQESA-N	402.413	3.902	10	20	HHCD	
Cc1cc(Br)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	916732471	LVFARBCJMWAMRU-UHFFFAOYSA-N	403.320	3.866	10	20	HHCD	
Cc1cc(C)cc(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	917709017	DABFSDZRBIYBSP-QZTJIDSGSA-N	400.494	3.751	10	20	HHCD	
C[C@@H](Cc1ccccc1Cl)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	918216493	RAWABXXVIZYFOZ-KRWDZBQOSA-N	415.965	3.979	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C	1318716719	IUQFYYUISZFPEK-KRWDZBQOSA-N	406.571	3.787	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4OC)on3)CC2)cc1	1319732308	GOQRBVSIRWVSRL-UHFFFAOYSA-N	407.470	3.711	10	20	HHCD	
O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCSCC2)cc1	111071916	IPJOLIIUIGQHNC-UHFFFAOYSA-N	409.477	3.987	10	20	HHCD	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1c(O)ccc2c1CCCC2	301441399	IWXZAQRJQJGOPZ-UHFFFAOYSA-N	412.414	3.788	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc2c(c1)COC2	64393417	XAAQRCDHBDXNFU-UHFFFAOYSA-N	406.404	3.502	10	20	HHCD	
CCc1nc(CN2CCN(C(=O)NCc3ccc(N(CC)CC)cc3)CC2)cs1	195635502	JXQKHIPEIUNVJL-UHFFFAOYSA-N	415.607	3.579	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccccn1	148478432	PLZMZLWZBSPGFE-IBGZPJMESA-N	418.541	3.876	10	20	HHCD	
COCCOCc1ccc(CNCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	808382185	VOCFSSLTABWENB-KDURUIRLSA-N	416.537	3.892	10	20	HHCD	
COc1cc(Br)cc(CNc2ccc(F)c(N3C(=O)CCC3=O)c2)c1O	809720785	HISZGBQGUVIIGF-UHFFFAOYSA-N	423.238	3.568	10	20	HHCD	
CN(Cc1cccc(F)c1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803677861	UTZVLWGHYVEGEG-UHFFFAOYSA-N	411.521	3.869	10	20	HHCD	
COC[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1cccc(Cl)c1	808373620	WBGDJAZFBKHHOM-OAQYLSRUSA-N	417.937	3.958	10	20	HHCD	
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135687	XHUONHWBNOAMDN-UHFFFAOYSA-N	411.650	3.739	10	20	HHCD	
COc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1	809723838	QRPHXVSFCPDUDO-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cn(C)nc1C1CC1)c1ccc(N)cc1	812983905	LRGGJBUXIRHSEW-HNNXBMFYSA-N	403.486	3.613	10	20	HHCD	
COC(=O)N1CCC[C@@H](NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	726548977	AWZAMIRZJPZWDW-GOSISDBHSA-N	403.910	3.637	10	20	HHCD	
CC1(C)CN([C@H](CNC(=O)NCc2ccccc2O)c2ccc(Cl)cc2)CCO1	729049341	MSYNWZNAQFWXSV-LJQANCHMSA-N	417.937	3.697	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)CC2)cc1	726628293	XCNMANYKOAJCNN-UHFFFAOYSA-N	423.542	3.504	10	20	HHCD	
CC(=O)c1cccc(OCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726566488	PSPPIKOSORVTIU-UHFFFAOYSA-N	418.440	3.655	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)SC2=S)cn1	726197570	UUNWWNXHMUTJOM-NBPJVQFTSA-N	416.572	3.906	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)NCc1ccc(Cl)cc1	727372674	KTBNJDZTTLLYTM-UHFFFAOYSA-N	416.953	3.642	10	20	HHCD	
CN(CCCNC(=S)Nc1cccc(C(=O)N=c2cc[nH]cc2)c1)c1ccccc1	726491346	YIXRDKUQTZCQRG-UHFFFAOYSA-N	419.554	3.569	10	20	HHCD	
COc1ccc(C(=O)NCCCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731015471	XYSZRWPFBYLSQG-UHFFFAOYSA-N	423.557	3.758	10	20	HHCD	
C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)c1cc(O)cs1)c1ccccc1	731910484	RWNTXKPJHANAAV-AWEZNQCLSA-N	424.478	3.740	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O	734688908	ULZAQRMBZPPVFP-HXUWFJFHSA-N	414.937	3.661	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](CCSC)c1nnc2ccccn12	731278500	DMTMGAYNWQLDKB-QGZVFWFLSA-N	413.547	3.851	10	20	HHCD	
CCOC(=O)N1[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1c1ccc(C)o1	736474782	LCQJSMMFSGOYBS-OALUTQOASA-N	417.481	3.772	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1	734064322	DOCYULQCMWTMNA-SFHVURJKSA-N	403.548	3.735	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)n(C)c2ccccc12	583773465	YPHFYQXGIWRGSD-MJGOQNOKSA-N	407.489	3.695	10	20	HHCD	
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCSc1nccs1	733974112	FXWZSXOYZQXBLS-JTQLQIEISA-N	401.897	3.771	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@@H]3CCC[C@@H](C)C3)cc2F)C[C@@H](C)O1	917058810	YOFYSSIVRKDXFC-FTEYMNFISA-N	405.558	3.566	10	20	HHCD	
Cc1ncc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	918219611	LWVNNBSBSWNHFS-KBPBESRZSA-N	406.527	3.546	10	20	HHCD	
Cc1cc(C)cc(N2CC[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)C2=O)c1	742468643	NVDCWSOILQZYSX-HSZRJFAPSA-N	405.542	3.963	10	20	HHCD	
COC(=O)c1ccnc(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)c1[N+](=O)[O-]	590574656	PUNACMAWUPLEPV-UHFFFAOYSA-N	408.414	3.560	10	20	HHCD	
Cc1cc(CC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	740802125	KISVKPRRFVNEJE-UYAOXDASSA-N	422.978	3.762	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](c2ccccc2OC)c2nccn2C)cc1	918200398	GJFZXYCKDQMGBK-JOCHJYFZSA-N	421.545	3.864	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3cnc(N4CCCC4)nc3)SC2=S)cc1	915984079	HJXWGQVWXFIRSB-GZTJUZNOSA-N	411.556	3.549	10	20	HHCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)[C@H](c1ccccc1)N1CCOCC1	749126049	LHZRBDQNWRTYIB-GBXCKJPGSA-N	411.615	3.791	10	20	HHCD	
O=C(N[C@@H](CN1CCCC1)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1	916468610	CBXGNZRMIDMIAH-PKTZIBPZSA-N	423.557	3.920	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)cc2F)CC1	745808947	OQOXJEOJULZPJQ-VAMGGRTRSA-N	402.558	3.736	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](CNC(C)=O)C3)c2C)c1	742615978	YOSHQAWNXNRREF-IBGZPJMESA-N	413.587	3.847	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3cccc(OC(C)C)c3)CC2)cc1F	753844081	POVJIVBPBSAJPR-UHFFFAOYSA-N	401.482	3.653	10	20	HHCD	
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	751084666	RPGFSSRJROGZHG-QRQCRPRQSA-N	415.484	3.924	10	20	HHCD	
O=C(CCN1CCN(c2ccccc2)CC1)N(Cc1ccco1)Cc1ccccc1O	752087437	QZNYSSGJUBUTBM-UHFFFAOYSA-N	419.525	3.726	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CCN(C)c3ccccc32)cc1	750728067	UMGATIUNNVIPHF-FYYLOGMGSA-N	407.558	3.884	10	20	HHCD	
CC(C)CN1C(=O)/C(=C\N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C(=O)NC1=S	920980334	JFLAEQFRYJATEF-ISAHRAOESA-N	418.321	3.566	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)c3ccccc3Br)CC2)cc1	751573583	FSRWATCHZAKPLK-HXUWFJFHSA-N	405.336	3.703	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	765894459	SDCIMSKZNNBIES-WTIAFYNJSA-N	423.557	3.603	10	20	HHCD	
COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)cc1C	764242387	GRQOPZXOCHFYEI-UHFFFAOYSA-N	403.504	3.638	10	20	HHCD	
COc1ccc2c(c1)CCCCN2CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1	766269547	LNYTXGQORKQYDH-UHFFFAOYSA-N	421.541	3.715	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](NC(=O)NCc1ccccc1)C(C)C	764894419	IAKBHRUQHQAJMS-QFIPXVFZSA-N	410.562	3.625	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2F)CC1	1116436829	BXYVPKUORDMYMH-UHFFFAOYSA-N	407.537	3.833	10	20	HHCD	
CC(C)COC[C@@H](c1ccco1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761163288	XEFINTPVIDDKGM-INIZCTEOSA-N	406.866	3.817	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H](O)COc3ccc(C(F)(F)F)cc3)CC2)cc1	765314465	PIXAWUSJKOMJKW-IBGZPJMESA-N	424.463	3.712	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](C)[S@](=O)CC2)c(C)n1-c1ccccc1Br	760651608	HCLOPRNOGJGINR-DLUDVSRJSA-N	423.376	3.840	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCCN1C(=O)C(C)C	769291323	MOLWWKYOSPQZKZ-MRXNPFEDSA-N	411.340	3.540	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cnccn4)n3C)c2C)cc1	768407061	NHZJABYQZPKHLU-UHFFFAOYSA-N	418.526	3.963	10	20	HHCD	
C[C@@H](NC(=O)N1CCSC[C@H]1c1nccs1)c1ccc(N2CCOCC2)cc1	771310547	MSTFDFRJFDLLFC-QAPCUYQASA-N	418.588	3.540	10	20	HHCD	
C[C@@H](NCCCC(=O)N1Cc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1	772982420	VLKWHLMRENGOAI-GOSISDBHSA-N	411.521	3.636	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3cnc(N4CCOCC4)s3)c2C)c1	787752675	ALFJFSRJFIUJIU-UHFFFAOYSA-N	424.570	3.934	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	789074585	ZKMPPVCMTXHKCR-VEJWIWHQSA-N	408.237	3.767	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(c3nccs3)CC2)cc1	798509076	BVTWSFPWDNEEMM-UHFFFAOYSA-N	401.580	3.800	10	20	HHCD	
C[C@@H](NC1CCN(c2nccs2)CC1)c1ccc(N2CCOCC2)cc1Cl	798938613	ZQVYEOSYWYIWLH-OAHLLOKOSA-N	406.983	3.953	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1Cc2cc(Br)ccc2O1	792244024	SPIDWLINWOJMAM-LJQANCHMSA-N	402.288	3.653	10	20	HHCD	
O=C(NCCCCn1cc(Br)cn1)NCc1c(O)ccc2c1CCCC2	792223616	PDFSUOOCNKJXMV-UHFFFAOYSA-N	421.339	3.510	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CNC(=O)c3c(F)ccc(O)c3O)c(C(F)(F)F)c2)n1	790069815	VRRMEZVEBDJXOI-UHFFFAOYSA-N	423.366	3.988	10	20	HHCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@H](C(N)=O)c1cccc(Br)c1	792175564	WFXFXSNSOPUZDT-HNNXBMFYSA-N	401.663	3.606	10	20	HHCD	
CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1318186534	CSNUGPTUNKLYJV-UHFFFAOYSA-N	420.416	3.637	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)COC(C)(C)C)C2)cc1	1841845546	PTWVPHKQBPYLLG-UHFFFAOYSA-N	423.557	3.726	10	20	HHCD	
CN(Cc1ccccc1O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-]	302659786	OSTSCCYHJOGWIL-UHFFFAOYSA-N	413.455	3.738	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CNC(=O)Cc2cccc3ccccc23)cc1F	303397604	ZIIFSRICZLAQFR-UHFFFAOYSA-N	421.516	3.800	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@@H](C)c4cccnc4)CC3)ccc21	514152493	VUEVABNDNFKTNY-FQEVSTJZSA-N	420.557	3.819	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]3CC(=O)c3cnn(C)c3)ccc21	447994944	YHTGLPMYDXCVDO-HXUWFJFHSA-N	422.529	3.516	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OC[C@@H]3CCN(C(=O)c4ccccc4)C3)cs2)cc1	801306386	AASGWYOANVESSX-QGZVFWFLSA-N	421.522	3.635	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC[C@H](C2CC2)C1	808239479	WVSGSWUXKBWKLC-KRWDZBQOSA-N	411.468	3.874	10	20	HHCD	
Cc1c(CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)n(C)c2ccccc12	473280493	WHDIXXDTHHSBBM-UHFFFAOYSA-N	404.297	3.840	10	20	HHCD	
CCOc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)c1	800026743	FJHNNSKLXLQCBM-UHFFFAOYSA-N	418.496	3.796	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)cc2OC2CCOCC2)c1	806645732	LOMDMHDNBKYAGD-ZDUSSCGKSA-N	404.438	3.980	10	20	HHCD	
CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccccc3O)sc2C1	806880331	QWMIWOZGZNTBHE-AWEZNQCLSA-N	401.532	3.645	10	20	HHCD	
CC[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(C(F)(F)F)cc1O	812740100	AQOAFSWPFSJUGZ-SFHVURJKSA-N	407.436	3.906	10	20	HHCD	
Oc1ccccc1[C@H](CCc1ccccc1)NC[C@H](O)COc1ccc2c(c1)OCO2	815565236	HDPUIWQMALFBLU-UGKGYDQZSA-N	421.493	3.824	10	20	HHCD	
Cc1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(Br)s1	816922123	RNEDBZITBXVWAS-CYBMUJFWSA-N	411.321	3.741	10	20	HHCD	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC)c(O)c3)SC2=S)cc1	814284646	UNZGWTXEPFCQAE-PDGQHHTCSA-N	401.509	3.853	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H](c2nccn2C)C(F)(F)F)cc1F	816922140	RZFKXLXBDYQCRH-CQSZACIVSA-N	400.420	3.758	10	20	HHCD	
COC(=O)CCc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	729578823	SBIBLKKYLRSVEF-HXUWFJFHSA-N	412.486	3.711	10	20	HHCD	
Cc1cc(C(=O)CN2CCCN(CC(F)(F)F)CC2)c(C)n1-c1cccc(F)c1	738318851	HKHILBFHYZBJCB-UHFFFAOYSA-N	411.443	3.986	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCOc3cccc(C)c3C)cc2F)CC1	730194286	FSLDXDGKTRYDKG-UHFFFAOYSA-N	413.537	3.670	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](CCN(C)C)C(C)(C)C)cc2F)C[C@@H](C)O1	734859086	VCDVEOHIUSILDZ-CBGDNZLLSA-N	422.589	3.605	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1	734062808	WQIPEQSOTYSLSO-UHFFFAOYSA-N	417.465	3.925	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	734665769	ROROBCKGIDRAIG-IEBWSBKVSA-N	418.582	3.896	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1nn(-c2ccc(F)cc2)c2c1CCC2	738297753	BCEXNWUIHWHKRF-UHFFFAOYSA-N	420.532	3.969	10	20	HHCD	
C[C@@H]1CN(Cc2ccc(C(=O)NCCCSc3nccs3)cc2)C[C@@H](C)O1	733883726	AJOIQGIZCPETJP-HZPDHXFCSA-N	405.589	3.665	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3cc(F)ccc3NS(C)(=O)=O)c2)CC1	739754777	VGTKJBCHZKKWTA-UHFFFAOYSA-N	405.495	3.686	10	20	HHCD	
COC(=O)CN(Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1cc(Cl)ccc1O	731844749	IRCIDRZWXRTXDK-UHFFFAOYSA-N	422.268	3.924	10	20	HHCD	
CCCN(C)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745906385	ZTMMHSQQLJKKFE-QZTJIDSGSA-N	424.536	3.630	10	20	HHCD	
COCCn1cc(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cn1	747752153	XLGANQNITCMOIT-UHFFFAOYSA-N	420.560	3.751	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1	914728035	AGDVIIKFKUJCNY-HXUWFJFHSA-N	417.509	3.928	10	20	HHCD	
Cc1occc1C(=O)NCC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	919480425	IGKDUYCUAAPXPQ-UHFFFAOYSA-N	420.425	3.915	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2c(cnn2C(F)F)c1	747387697	KMZIIXYQCNUPFT-UHFFFAOYSA-N	419.407	3.729	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2F)C[C@H](C)O1	918138325	KFTHUJFPFVUWNC-STQMWFEESA-N	421.856	3.931	10	20	HHCD	
Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)c2)cc1	743719717	PKXDSYWLAZWBLZ-UHFFFAOYSA-N	424.522	3.548	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(CN3CCCC3=O)c2)cc1	918207081	RDTYMBYCNUBKPS-UHFFFAOYSA-N	408.546	3.655	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1	740843392	SIGUVYNICWOFQA-UHFFFAOYSA-N	414.502	3.909	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCn2c(Cc3ccccc3)nnc2C1	741715444	UMANFIRUEJHRMF-UHFFFAOYSA-N	417.538	3.994	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	758965074	RHJYOLBWPYSGEG-KRWDZBQOSA-N	415.509	3.553	10	20	HHCD	
CC(C)[C@H](O)C(C)(C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	754643115	RDPHXRKKXMGGPE-SFHVURJKSA-N	413.509	3.599	10	20	HHCD	
CC(C)n1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1-c1ccccc1	754185867	PUPQAIOQGBPRGC-UHFFFAOYSA-N	404.514	3.898	10	20	HHCD	
C[C@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1cc(Br)ccc1O	756345293	WOWYHSNCGJRYQM-WMLDXEAASA-N	424.408	3.856	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O	750820295	OHSOYGXBCQQWQV-LJQANCHMSA-N	400.450	3.654	10	20	HHCD	
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	750134038	QUKLRBUDWZGSOQ-HPORLSDASA-N	402.560	3.912	10	20	HHCD	
C[C@H](NCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1O	756510269	QBCWBPURHKTOOD-IBGZPJMESA-N	403.526	3.935	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3nnc(-c4cccc(F)c4)o3)cs2)cc1	751931156	OEKUQGPNDLYMBC-UHFFFAOYSA-N	410.430	3.862	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc4ncccc4c3)cc2F)C[C@H](C)O1	768517000	JRHOBQKUPWKINO-IRXDYDNUSA-N	423.488	3.683	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	768916478	RHHIONPHRSBDGN-SFHVURJKSA-N	417.893	3.618	10	20	HHCD	
C[C@H](NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl	764746016	WJEHNIQCEGFDGI-KURKYZTESA-N	410.002	3.715	10	20	HHCD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	766415039	KCALEVQIPCSTEI-QGZVFWFLSA-N	408.473	3.899	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(Br)nc1)c1ccc(N2CCOCC2)cc1	766163468	UKIAOIUHNMGNRC-CYBMUJFWSA-N	405.296	3.563	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3CCC[C@H](C(C)C)C3)CC2)cc(OC)c1OC	760114134	NJOJHPIWLZDOMG-ZWKOTPCHSA-N	419.566	3.759	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1C	764467657	CDPASNNUDSAAKD-YKSBVNFPSA-N	422.617	3.543	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	766346004	IGFWQGWAUYJZRQ-QZTJIDSGSA-N	404.432	3.703	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(OCc2nccn2C)cc1	765280873	FCKOKYKVAPRECR-LJQANCHMSA-N	406.530	3.687	10	20	HHCD	
CN(C)c1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1F	769929355	YWSXLIKNLRXUQJ-UHFFFAOYSA-N	422.342	3.781	10	20	HHCD	
C[C@@H](NC[C@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	765699787	FXPZGPVMHVPLHS-IFMALSPDSA-N	411.565	3.878	10	20	HHCD	
Cn1cc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)nc1Cl	764524950	GXZPOKFIHYVHET-UHFFFAOYSA-N	420.850	3.599	10	20	HHCD	
CCC1(CC)CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCS1	768256979	LZQKDWVHHDYROK-UHFFFAOYSA-N	409.571	3.604	10	20	HHCD	
COc1cc(Cl)cc(CN(C)C[C@H](O)COc2ccccc2C(F)(F)F)c1O	761192562	RWMFFTLXXBGELM-AWEZNQCLSA-N	419.827	3.945	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1	763729460	GIJHIOZDLNASIP-SJKOYZFVSA-N	405.292	3.619	10	20	HHCD	
CC[C@@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccc(F)cc1	763465205	VNVPMEACWYDTQE-HXUWFJFHSA-N	401.501	3.917	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCN(c2cccc(F)c2)C1	761264747	BDCXKIGFFWIDCX-GOSISDBHSA-N	417.868	3.618	10	20	HHCD	
COc1ccc(N2CCC(NC3CCN(C(=O)c4ccccc4F)CC3)CC2)cc1	764927306	KJVMMJYJQHWWPR-UHFFFAOYSA-N	411.521	3.698	10	20	HHCD	
Cc1ccc(C(=O)N[C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2ccccc2)cc1	762261520	OBKUEJBUGHQZSJ-OAQYLSRUSA-N	418.493	3.626	10	20	HHCD	
CN(C)c1ccc(CN2C(=O)CN(Cc3cccc(Br)c3)C2=O)cc1F	761183199	RQAVNRUPSGIEPH-UHFFFAOYSA-N	420.282	3.619	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@@H]3C[C@H](O)c3cccs3)cc2F)CC1	1116448852	AVIORMHKQHFHHZ-NQIIRXRSSA-N	403.567	3.727	10	20	HHCD	
COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)o2)cc1	775402767	CKKSQXSQCHTPMF-AWEZNQCLSA-N	412.515	3.781	10	20	HHCD	
C[C@H](NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(N(C)C)cc1	773208387	JCCCCZRBNIMJDW-KRWDZBQOSA-N	403.530	3.987	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)CCN2CCCCC2)cc1	779511724	WYONUFKVWKWBQQ-VZUCSPMQSA-N	409.486	3.564	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1	787857654	VBNGDJNZVJZTQY-CQSZACIVSA-N	406.429	3.610	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	788921645	VGTLPTMIYHRKNF-ZADIZFFCSA-N	409.574	3.576	10	20	HHCD	
COc1cc(N2CCN(c3nccc(Oc4ccccc4)n3)CC2)cc(OC)c1OC	788550975	WGTDYMBXCWTTOC-UHFFFAOYSA-N	422.485	3.621	10	20	HHCD	
CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1	781805906	ATGRKSKFMWHALR-POHAHGRESA-N	412.486	3.764	10	20	HHCD	
COc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)c(O)c1	797761463	MIOSYFOUSVYDOT-LJQANCHMSA-N	400.475	3.591	10	20	HHCD	
Cc1cc(C(=O)N2CCC3(CN(C)C3)C2)c(C)n1-c1cccc(Br)c1	791250693	SZXIEKBOPCTZDI-UHFFFAOYSA-N	402.336	3.634	10	20	HHCD	
COc1ccc(CNC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)c(O)c1	794376111	ACTWPLBLRGAGQN-UHFFFAOYSA-N	400.866	3.688	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3cccc(Br)n3)cs2)cc1	795526827	QWJJSSIGVFEFND-UHFFFAOYSA-N	404.289	3.831	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccccc2CN(C)Cc2ccco2)c(O)c1	792955773	IECIUVMCSONAFC-UHFFFAOYSA-N	409.486	3.625	10	20	HHCD	
Cc1c(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)c2ccc(F)cc2)cnn1C	794041003	FVINLRAOJZVBFO-UHFFFAOYSA-N	407.854	3.553	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](c2cncc(Br)c2)C2CC2)c1O	793607074	ALTFCHSQVKBDGH-HNNXBMFYSA-N	408.252	3.707	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CC(C)C)CCO3)C2)cc1	1781752909	BPVSHICQYFGGKW-VWLOTQADSA-N	423.557	3.584	10	20	HHCD	
O=C(OCc1cc(F)cc2c1OCOC2)c1cccc2c1C(=O)c1ccccc1C2=O	16218513	ILWZLBIMLZSCGK-UHFFFAOYSA-N	418.376	3.825	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nnnn3C[C@H]3CCCO3)c2C)c1	71923810	BSNJFHXDBZUTSN-GOSISDBHSA-N	411.531	3.543	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cn(-c2ccccc2)nc1-c1cccs1	98074530	SIZRJKSNOSHMSU-UHFFFAOYSA-N	405.479	3.985	10	20	HHCD	
Cc1ccc2c(C3=CCN(c4cc(N5CCC[C@H](CO)C5)ncn4)CC3)c[nH]c2c1	521091387	MNCOMVZFKAKIAE-SFHVURJKSA-N	403.530	3.769	10	20	HHCD	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806878677	VCWNZJYGQKODLA-LMMKCTJWSA-N	422.520	3.525	10	20	HHCD	
COc1ccccc1CN(C)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803676158	AARIYOMBTXHABN-UHFFFAOYSA-N	423.557	3.739	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(C2CCCC2)nc1N	806967819	PLQCJTQVJLMIDP-UHFFFAOYSA-N	419.323	3.847	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(C4OCCO4)CC3)cc2Cl)C1	800719100	GVUFZSIJIKPDID-INIZCTEOSA-N	421.969	3.871	10	20	HHCD	
CCS(=O)(=O)NCCSC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814773011	LKBUHBMFUQPZRC-ZROIWOOFSA-N	412.583	3.544	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)CC2)cc1	726560915	WUCGXSVVTCNJRE-UHFFFAOYSA-N	409.530	3.886	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nnc4ccccc4n3)c2C)cc1	811312730	MJMIJGYDNMPIET-UHFFFAOYSA-N	400.438	3.780	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc3ccccc3c2)cc1	727362357	LNPROLXRKIBXOL-UHFFFAOYSA-N	406.511	3.951	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3OC)C[C@H](C)O4)SC2=S)cn1	726985626	CWYAHFFJRXDXNF-PKSBALPTSA-N	414.508	3.828	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc3ccc(C)nc23)cc1	727612264	CRHCHUZZONEKBO-UHFFFAOYSA-N	404.514	3.987	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c1	728977808	DPAIJXDWHVBMNC-SDMNGIDPSA-N	408.498	3.530	10	20	HHCD	
O=C(NCc1ccccc1O)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1	727853533	KQEWHQQMTVRIRW-UHFFFAOYSA-N	416.886	3.776	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)C[C@H]3OCCc4ccccc43)CC2)cc1	726714178	UNONLNQJTNICCZ-HSZRJFAPSA-N	409.530	3.619	10	20	HHCD	
CCc1cccc2c1OCC[C@H]2NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	726247444	UBAVRIGUTWTAEX-HTAPYJJXSA-N	409.530	3.970	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCOc2ccccc2OC)cc1F	731364095	LBCXIKJVYAECNL-UHFFFAOYSA-N	403.498	3.901	10	20	HHCD	
COC(=O)[C@@H](CNC(=O)c1cc(C)n(-c2ccccc2C)c1C)Cc1ccc(O)cc1	733150506	NQJBAHCWROREIB-HXUWFJFHSA-N	420.509	3.870	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1csc(NC(=O)c2cccs2)n1	734405874	KIMVODUKIMVZJX-UHFFFAOYSA-N	414.556	3.690	10	20	HHCD	
CC1CCC(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	917014036	NSDZASPTBLRASB-OYBTXZFASA-N	405.558	3.566	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CNC2(CO)CCCC2)sc(C)c1-c1ccccc1	749450463	VLSUMDRLQZGXPB-UHFFFAOYSA-N	416.543	3.733	10	20	HHCD	
CCc1nc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2nc1CC	919766551	DCVWQABSNOXSJD-UHFFFAOYSA-N	404.514	3.521	10	20	HHCD	
COc1c(F)cc(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1F	917831442	STBAOFOUROBWCE-UHFFFAOYSA-N	422.387	3.799	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)CCN2C(C)=O	743809500	YATWUVPJDKMDKZ-UHFFFAOYSA-N	417.303	3.726	10	20	HHCD	
COC(=O)c1cn(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c2ccccc12	914506077	WRTHCWFCJLPHFA-UHFFFAOYSA-N	407.514	3.931	10	20	HHCD	
O=[N+]([O-])c1cc(CNCc2cccc(CN3CCOCC3)c2)ccc1N1CCCCC1	916835747	XWIOZUCOIDWRNS-UHFFFAOYSA-N	424.545	3.707	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](CC(=O)N(C)C)c1ccccc1	745771603	DQWJBRAVUYXOBW-JOCHJYFZSA-N	410.562	3.892	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1F	918210906	AIHXKNYONVRQDZ-GASCZTMLSA-N	419.472	3.586	10	20	HHCD	
COc1ccc(N2CCN(CCNc3ccc(C(F)(F)F)c(Cl)n3)CC2)cc1	742928526	UZJCXNMEFVXWGS-UHFFFAOYSA-N	414.859	3.997	10	20	HHCD	
C[C@H](NC(=O)CCCOc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1	921283584	DTPVJYDIJHLNBP-INIZCTEOSA-N	404.457	3.838	10	20	HHCD	
Cc1ccc(N2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)cc1C	758733752	NEQTXJJRYVOJDN-OAQYLSRUSA-N	422.573	3.733	10	20	HHCD	
C[C@@H](NC(=O)N(CCCO)[C@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1	754366114	MFYBUGDCLRMPDL-DVECYGJZSA-N	423.557	3.666	10	20	HHCD	
CN(C)C(=O)C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1	920183438	NUJDMQQHAFYFCP-HXUWFJFHSA-N	410.518	3.894	10	20	HHCD	
Cc1cnc([C@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1	750224606	FFWZYHJAUALPSP-NSHDSACASA-N	421.434	3.626	10	20	HHCD	
CN(Cc1csc(Br)c1)C(=O)NCc1ccc(N2CCOCC2)cc1	920043479	JXPAUJLPXVUASF-UHFFFAOYSA-N	424.364	3.689	10	20	HHCD	
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	755234597	DXSIVMAZMPCREE-HNNXBMFYSA-N	414.502	3.922	10	20	HHCD	
CC(=O)N(c1nc(COC(=O)c2cccc(O)c2O)cs1)c1ccccc1F	758560548	MNBUJZGBMDWRTF-UHFFFAOYSA-N	402.403	3.735	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)CN(C)c3ccc(OC(C)C)cc3)cc2)CC1	759913413	ACNSQJWLNUQFLQ-UHFFFAOYSA-N	410.562	3.691	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1	752023377	IVYRRDFIONKLGX-INIZCTEOSA-N	412.490	3.941	10	20	HHCD	
CN1CCCN(c2ccc(-c3noc(-c4ccc(-n5cccc5)cc4)n3)cn2)CC1	761910865	MZCWUUYFGQFIEK-UHFFFAOYSA-N	400.486	3.731	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3cnc(C4CCC4)cc3=O)c2C)cc1	760329555	JWISHYVTJHGFIF-UHFFFAOYSA-N	419.481	3.588	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(OC(C)C)c2)cc1	761059500	AZFIEGUCKHDOPX-UHFFFAOYSA-N	413.518	3.584	10	20	HHCD	
Cc1ccc(Br)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	763428247	QWDXMUVXXYALDQ-UHFFFAOYSA-N	421.310	3.788	10	20	HHCD	
CCN(CC)C(=O)c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	764796734	LQXZNBDKFSPCNG-GOSISDBHSA-N	413.537	3.995	10	20	HHCD	
CCCn1c(C)nnc1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	760336340	XROWQHOVDZAJNX-UHFFFAOYSA-N	420.494	3.503	10	20	HHCD	
CN(C)c1cc(C(=O)NCc2cccc(Br)c2O)c2ccccc2n1	765730470	BNFDYFVYWVLLQQ-UHFFFAOYSA-N	400.276	3.699	10	20	HHCD	
CCN(CC)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1	767780673	YYDHEHMMKAGSDX-LJQANCHMSA-N	410.436	3.858	10	20	HHCD	
Cc1c([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)nnn1-c1ccccc1	765295025	CFEWAXSVTTYTDQ-GOSISDBHSA-N	405.546	3.635	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCOc1ccc(C(F)(F)F)cn1	761779662	RFCQLOVISUEVGR-UHFFFAOYSA-N	410.440	3.777	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2cc(C)c(C)cc2O)C(C)C)cc1	769353946	WXVIXTCYYBGGIW-OAQYLSRUSA-N	400.519	3.618	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(OCC(=O)NC2CC2)cc1	773621762	DSNUQTCRMSCVNJ-IRXDYDNUSA-N	424.545	3.531	10	20	HHCD	
C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)c1ccc(N(C)C)cc1	773993941	LLNKXBKPMMDUCI-NWDGAFQWSA-N	424.364	3.572	10	20	HHCD	
CCS(=O)(=O)c1c(Cl)cccc1CN(C)c1cc(OC)c(OC)c(OC)c1	775969341	SLOFDYZWLSGZLZ-UHFFFAOYSA-N	413.923	3.796	10	20	HHCD	
C[C@H](NC(=O)Nc1ccnc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	776491617	XDVUNXMCSKDZOU-AWEZNQCLSA-N	424.423	3.742	10	20	HHCD	
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1	779473459	PWPQPQUVDBRRGO-QBFSEMIESA-N	424.478	3.575	10	20	HHCD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c(F)ccc(O)c1O	789946279	HBUIGTPVVGOQGS-UHFFFAOYSA-N	401.221	3.645	10	20	HHCD	
CC1CCN(C(=O)c2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)CC1	789834588	BHXHGRZOPMQXHN-INIZCTEOSA-N	411.502	3.723	10	20	HHCD	
CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(C)c(O)c1O	780999591	FVQHNDVLXVZTJV-UHFFFAOYSA-N	409.236	3.989	10	20	HHCD	
Cn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(-c2ccc(Cl)s2)n1	789744781	ZIUHDOQOJDICFD-UHFFFAOYSA-N	416.934	3.569	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21	788831758	MOAMTFNIKMZABT-HXUWFJFHSA-N	411.546	3.832	10	20	HHCD	
COc1cc(Br)cc(CNc2ccc(C)c(N3CCNC3=O)c2)c1O	785552256	GEWRLLPJFRHPIX-UHFFFAOYSA-N	406.280	3.613	10	20	HHCD	
C[C@@](O)(CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	780953546	GOUFKIUVXQFUKN-HTAPYJJXSA-N	404.457	3.671	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C2CCN(C(=O)[C@H](C)CSC)CC2)cc1	799299958	DFMKMZIUPXPBBD-GOSISDBHSA-N	419.635	3.729	10	20	HHCD	
CC[C@@H](NCCc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccc(F)cc1O	796751942	CXJWDPZMFOGCGO-QGZVFWFLSA-N	414.568	3.907	10	20	HHCD	
CC[C@H](NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(C)cc1O	794790947	GMILGMYSRBKRAH-NRFANRHFSA-N	402.560	3.903	10	20	HHCD	
COc1cc(Br)cc(CNC[C@H]2CCN(Cc3ccccc3)C2)c1O	793207598	PPPHNTIDECFADL-MRXNPFEDSA-N	405.336	3.775	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)c1ccc(N2CCOCC2)cc1	798388177	PYXMRGXRBIQIRF-VHWBZUMISA-N	415.578	3.555	10	20	HHCD	
CCc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	793121006	YISWPUFGDJLYAH-UHFFFAOYSA-N	409.461	3.810	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccnn3-c3ccccc3OC)SC2=S)cn1	797399758	ZWPZVDZZHGVKDQ-BOPFTXTBSA-N	424.507	3.690	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)c(O)c1	794382753	GTTVWBLMFXCZQZ-MAODMQOUSA-N	422.525	3.801	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(-c4ccncc4)n(C4CC4)c3=S)CC2)cc1	7315342	YVSMLMSHXRKILF-UHFFFAOYSA-N	422.558	3.599	10	20	HHCD	
Cc1cnn(-c2ccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)cc2)c1	108898481	KTRXTEQSEHRPNH-UHFFFAOYSA-N	415.541	3.965	10	20	HHCD	
COc1ccccc1O[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	805145115	MQVOBLIDYVHHGU-NRFANRHFSA-N	407.514	3.824	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2nc(C3CC3)oc2c1	807513650	RJKCCMXBUYZWDS-UHFFFAOYSA-N	420.252	3.973	10	20	HHCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H](C)[S@]1=O	807331437	JSVFNQACYWVCBP-NTQMXBNMSA-N	412.515	3.799	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](N4CCCC4)C3)cc2Cl)C1	800720540	UOJVRMKIJBETQT-HKUYNNGSSA-N	404.986	3.956	10	20	HHCD	
C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)NCCCSc1nccs1	803573831	QHUAFBCNAYPYBY-OAHLLOKOSA-N	405.589	3.614	10	20	HHCD	
CCCn1cc(CN2CCCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)cn1	472285028	NSQFSIDRGSWSCQ-UHFFFAOYSA-N	422.577	3.511	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)n(C)c2ccccc12	478596893	ZMBJNFUGVCNEMH-CYBMUJFWSA-N	401.869	3.773	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](CC1CCC1)c1ccccc1	807291024	RWXKQKFWSGCVCC-QHCPKHFHSA-N	403.526	3.727	10	20	HHCD	
COC(=O)c1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc(Cl)c1F	562321397	LBAKQALWKSWVIE-UHFFFAOYSA-N	407.829	3.763	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC4(CCN(Cc5ccccc5)CC4)C3)cc2)CC1	816619668	PVAXPYNYNAMRQM-UHFFFAOYSA-N	418.629	3.927	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCCCC2=O)cc1	810179668	DNUNMYHMAMKCFI-FQEVSTJZSA-N	406.574	3.806	10	20	HHCD	
CCn1c(-c2ccccc2OC)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812034258	MCCMBNNEGNPXGA-UHFFFAOYSA-N	407.518	3.699	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@H]1CCCCC(F)(F)C1	813591503	YMXYSCUMWWTWFS-INIZCTEOSA-N	413.484	3.802	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)n(C)c2ccccc12	579273505	PVVYFEFMMXOYBZ-HNNXBMFYSA-N	411.933	3.846	10	20	HHCD	
Cc1ncc2n1CC[C@@H](C(=O)NCc1ccc(N3CCC[C@@H](C)C3)c(Cl)c1)C2	811495865	RXWKKJHSOLKKEP-CRAIPNDOSA-N	400.954	3.960	10	20	HHCD	
Cc1nc(C2(NCc3c(O)ccc(C(=O)c4ccccc4)c3O)CCCCC2)no1	729849063	BSXCNVJSXUQEAN-UHFFFAOYSA-N	407.470	3.969	10	20	HHCD	
Cc1cc(C(=O)NCCC(=O)NC(C)(C)C)c(C)n1-c1cccc(Br)c1	728029178	YJEJNIKOVCETMN-UHFFFAOYSA-N	420.351	3.891	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N3CCc4ccccc4C3)ccc21	728473681	UMVLYISTYSCXPX-UHFFFAOYSA-N	420.509	3.646	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F	726567507	PINADTXGNXLXSA-UHFFFAOYSA-N	409.364	3.734	10	20	HHCD	
O=C(CC1CCCC1)N1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	730823427	KIKXAFOKUFWMEI-UHFFFAOYSA-N	412.578	3.611	10	20	HHCD	
Cc1ccc(C2(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)CCOCC2)cc1	736196741	VLLPIFDIWRYYQM-UHFFFAOYSA-N	422.569	3.568	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4ncsc4c3)cc2)CC1	731132100	SONOGBZQWGYIML-UHFFFAOYSA-N	408.527	3.788	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1	734061431	XHMJMAJFBLARHT-UHFFFAOYSA-N	405.454	3.653	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	733100466	JZDDWNSYPKKHNJ-HUUCEWRRSA-N	406.885	3.960	10	20	HHCD	
CC(=O)N(Cc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1)C(C)C	735173733	BMQVLIBZTQDENJ-UHFFFAOYSA-N	400.498	3.970	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1	733851070	WUYNQCQGNWIVDI-UHFFFAOYSA-N	418.497	3.927	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)cc1F	731347047	KAQPVUKJOSWGNL-QHCPKHFHSA-N	411.521	3.824	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2c3c(nc4ccccc24)CCN(C)C3)cc1	916502800	WXEOFHDSSGEAQA-UHFFFAOYSA-N	402.542	3.999	10	20	HHCD	
Cc1cc(Br)ccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919969163	GMGUQYPYEYKNMR-UHFFFAOYSA-N	421.310	3.788	10	20	HHCD	
CS(=O)(=O)N1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	915303695	LSNOMBSZCOOJEX-UHFFFAOYSA-N	401.492	3.601	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cc2c(cc1Cl)OCO2	916625360	FTDXPCAXXPGWHS-UHFFFAOYSA-N	405.907	3.944	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3ccc4ccccc4c3)CC2)cc1	743279138	SHBJEBZKZPDXBL-UHFFFAOYSA-N	404.514	3.792	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1	743658853	AYCJYRTVPUGRSY-MPGHIAIKSA-N	421.538	3.845	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3ccc(N(C)C)cc3)cc2F)C[C@@H](C)O1	917710538	JVUBQAJFZKZCKV-HDICACEKSA-N	413.537	3.754	10	20	HHCD	
CCCNC(=O)CCNC(=O)c1cc(C)n(-c2ccccc2Br)c1C	918678651	MFHNNLAXDZCOJD-UHFFFAOYSA-N	406.324	3.503	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)cc1	918211306	ITMDAJIKGYPAKZ-XMMPIXPASA-N	424.589	3.714	10	20	HHCD	
C[C@@H](c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1)N1CCOCC1	741067666	FMVPWMGMTWASQP-IBGZPJMESA-N	406.530	3.778	10	20	HHCD	
Cc1c(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cccc1[N+](=O)[O-]	747843269	APBBJPXFVYORMY-UHFFFAOYSA-N	419.428	3.832	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CCSc2ccccc21	918184974	VWIHQRLCIHKYON-LJQANCHMSA-N	415.534	3.823	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)NC[C@@H](C)c3ccccc3)sc2n1	916525678	PMRSSGRTWCZPTC-UKRRQHHQSA-N	411.527	3.961	10	20	HHCD	
O=C(NCc1ccccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	748353043	JYQCFQSXAJXPBS-UHFFFAOYSA-N	422.934	3.540	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CC[C@@H](N4CC(=O)Nc5ccccc54)C3)c2c1	758975595	WTPWPIDKMBVKLI-QGZVFWFLSA-N	403.482	3.587	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(Br)c(F)cc1O	756543562	QIZPKYXSKDYCJI-ZJUUUORDSA-N	420.225	3.663	10	20	HHCD	
COc1ccc(CCC(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1	921054610	DZPSQCAWWQXTJF-UHFFFAOYSA-N	404.510	3.831	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C(=O)c3ccc(Cl)s3)cc2F)C[C@@H](C)O1	758092585	KCRWFHINJFNXEL-VXGBXAGGSA-N	410.898	3.653	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c(Br)cc1O	921258945	FHAUZDFNBVUATN-NSIKDUERSA-N	423.313	3.964	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	752149848	OMUSKUFQVZZMPV-ILXRZTDVSA-N	418.513	3.647	10	20	HHCD	
O=S1(=O)CCc2cc(CNCc3ccc(OCc4ccccc4)cc3O)ccc21	753572669	WAEJVTUONHVFDY-UHFFFAOYSA-N	409.507	3.591	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]nc1-c1cccc(Cl)c1	755081369	HOLRVXYKLAYPRK-UHFFFAOYSA-N	410.905	3.839	10	20	HHCD	
C[C@@H](C[C@H](O)c1ccco1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	759575930	VRPMIPPHCVOQOY-KSSFIOAISA-N	423.460	3.661	10	20	HHCD	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(N2CCCCC2)cc1	759597358	YEVKCIAZWQYNDE-VDTUPGDHSA-N	410.470	3.672	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3cccnc3)on2)cc1	750874765	NONIPRCTBGIYMO-HXUWFJFHSA-N	406.486	3.624	10	20	HHCD	
Cc1cc(F)ccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	754778251	FWQUREWULLMLGA-HOTGVXAUSA-N	404.457	3.582	10	20	HHCD	
C[C@@H](NC(=O)NCCCNc1cccc(F)c1)c1ccc(N2CCOCC2)cc1	753126536	GWGOAVMBDIRHPD-QGZVFWFLSA-N	400.498	3.525	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1nnc(-c2ccc(Br)s2)o1	759596306	UJBXISBWUVLUFI-KXFIGUGUSA-N	423.244	3.728	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1ccc(N2CCCCCC2)cc1	759596928	WSUDKUYUJOCFEP-SDQBBNPISA-N	410.470	3.673	10	20	HHCD	
CCc1nnc(O)c(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1CC	754655451	QYTRYZHMVJQDOY-UHFFFAOYSA-N	410.474	3.518	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1	763507433	BKAXFRDYKDZJSG-KRWDZBQOSA-N	414.912	3.933	10	20	HHCD	
C[C@@H](NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(N2CCOCC2)c(F)c1	766215970	CNGIJOXWAVRRNX-QGZVFWFLSA-N	412.484	3.880	10	20	HHCD	
C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2cc([N+](=O)[O-])ccc2O)c1	763495909	JXEZJXZVGFYXBX-CQSZACIVSA-N	416.453	3.865	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](c2c(F)cccc2F)C1	768923792	OHVKZGWATAMYIK-KRWDZBQOSA-N	401.457	3.501	10	20	HHCD	
CN1CCN(c2ccc(CNCCc3ccc(F)c(Br)c3)cc2F)CC1	1116013623	JOLYMPDKPQQEOF-UHFFFAOYSA-N	424.333	3.811	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O	761814631	BUUQYVCKSQPWIQ-FQEVSTJZSA-N	412.509	3.619	10	20	HHCD	
CCC[C@@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1	778222654	AFPNUJAFZNIWRK-HVMBHNBBSA-N	421.541	3.558	10	20	HHCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1O	775360504	GCCCSXZXCZFGLV-ZDUSSCGKSA-N	404.457	3.685	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2c(C)cc(C)cc2Br)c1	770261345	VIZHVTNTLVOZER-LBPRGKRZSA-N	421.291	3.596	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC(=O)N(C)c2ccccc21	1116309752	RIGJHVSKDSPUJW-MRXNPFEDSA-N	417.303	3.654	10	20	HHCD	
C[C@@H](NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1)c1ccc(N(C)C)cc1	773013316	KEBCWRQGVJPQFX-CYBMUJFWSA-N	404.536	3.725	10	20	HHCD	
C[C@H](NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccc(N(C)C)cc1	775403515	NUCGUBRGLGKMQL-INIZCTEOSA-N	407.470	3.854	10	20	HHCD	
COc1cc(O)c(CNc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1OC	775756236	BNHOTTJNOGHTCB-UHFFFAOYSA-N	421.497	3.513	10	20	HHCD	
CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773846303	JKCMEOLKBDPXSK-ZDUSSCGKSA-N	423.435	3.986	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1	773610003	BRFSAVGBDYBWCS-FZKQIMNGSA-N	411.424	3.745	10	20	HHCD	
COc1ccc([C@H]2CCCN2C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC	775836218	LIUDQQIFUVQPCS-DYESRHJHSA-N	411.546	3.784	10	20	HHCD	
Cc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c(-n2cc(Cl)cn2)n1	786835508	SWOOPSDGWTUHGZ-UHFFFAOYSA-N	412.925	3.637	10	20	HHCD	
COCCOc1ccc(F)cc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	786841544	MAACMKZCGPYGBZ-UHFFFAOYSA-N	424.538	3.516	10	20	HHCD	
CC(C)(C)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	786818624	VUXPHWFKDXPNFR-NRFANRHFSA-N	424.541	3.514	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1	782375328	RPSVZJYJTSGSDA-UHFFFAOYSA-N	401.875	3.766	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cnc(C(F)(F)F)cc3OC)CC2)cc1	792504170	LFCJVDPKMFCCNO-UHFFFAOYSA-N	424.423	3.862	10	20	HHCD	
COCc1nc(C)cc(NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n1	795226484	HHKQBKVIFQOSFD-SFHVURJKSA-N	415.538	3.675	10	20	HHCD	
C[C@@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1ccc(N(C)C)cc1	798941497	ZFTYVTVYEVTMJG-CQSZACIVSA-N	405.340	3.920	10	20	HHCD	
C[C@@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccnn1C	791934065	DYVMNEUKSDOHCE-PKVLTRFUSA-N	421.569	3.767	10	20	HHCD	
CCOc1ccc(CNc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)c(O)c1	796392818	BMIYYRQGGVIGKZ-UHFFFAOYSA-N	422.547	3.832	10	20	HHCD	
COc1cc(Br)cc(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1O	797605852	VWLXBVKJBYBWEK-AWEZNQCLSA-N	419.319	3.648	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c(O)c1	797612608	FTKDRVRDMMGRTN-HOTGVXAUSA-N	411.502	3.841	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@H](CO)c2ccc(Br)c(F)c2)c1O	795329760	BMGBQNVCEVKCQY-MRXNPFEDSA-N	416.674	3.973	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC(=O)N(C)CCc2ccccn2)c1	1325863357	BHPRDCBQHDQWBG-UHFFFAOYSA-N	424.932	3.573	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)c(Br)[nH]2)c1	1337104915	SXKBXKUUOOXPQQ-ZETCQYMHSA-N	418.085	3.745	10	20	HHCD	
Cc1cscc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1	1800715010	UKQQNTWUHBDWSP-BTTYYORXSA-N	420.918	3.687	10	20	HHCD	
C[C@@H]1C(=O)N(CN(C)Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1	14215444	QSNMYVYFJCSDTA-LJQANCHMSA-N	406.530	3.924	10	20	HHCD	
O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ccccc1O	769358977	SESIGMSQZGKVDC-UHFFFAOYSA-N	402.450	3.547	10	20	HHCD	
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(C)Cc1ccc(N(C)C)cc1	28494958	VWYYRTOCUGVBRT-NRFANRHFSA-N	414.525	3.518	10	20	HHCD	
O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1Cc1cccnc1	139540543	CXWODOXSQGDGEV-HSZRJFAPSA-N	400.482	3.685	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)N2CCCC2)c1	195741013	QGXKMYJSCVBCCY-JOCHJYFZSA-N	414.525	3.537	10	20	HHCD	
Cc1ccn(-c2ccc(N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nn2)n1	301469774	OCNBGAZSSVIUAJ-OAHLLOKOSA-N	400.433	3.653	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)n(C)c2ccccc12	472287652	QXTHVZYJERFTHH-KRWDZBQOSA-N	416.319	3.782	10	20	HHCD	
CCOC(=O)[C@@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1cccc(O)c1	494911925	VBWLYWYCQWCOLU-QFIPXVFZSA-N	424.497	3.644	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)c1	726627627	PFWZGYFDFACZCJ-ZDLGFXPLSA-N	415.492	3.881	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)ccc1OC	727176057	FLQJCBDNXLXRCE-GZTJUZNOSA-N	408.589	3.883	10	20	HHCD	
COCCOc1ccc(F)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	727591777	WGIJNANXSSARPZ-MRXNPFEDSA-N	417.481	3.570	10	20	HHCD	
CCN(C)C(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	729351793	GVBQICZRNQWBCQ-HSZRJFAPSA-N	423.557	3.666	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nccnc2-c2nc3ccccc3s2)c1	729536515	GWRIGRYRNKZAAN-GFCCVEGCSA-N	406.467	3.959	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(F)c(F)cc3F)cc2F)CC1	730384184	AHUJUYUDYWTHEN-UHFFFAOYSA-N	410.415	3.707	10	20	HHCD	
CCCO[C@H]1CCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	731117043	MYOHILIJXKAOIR-NSHGMRRFSA-N	421.557	3.930	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)cc2)CC1	731121130	NVPXXZXMNRAGDF-NRFANRHFSA-N	420.557	3.807	10	20	HHCD	
COc1ccc(-c2csc(NC(=O)CN(C)Cc3ccccc3O)n2)c(OC)c1	731843057	RBONZBCIMQGFBU-UHFFFAOYSA-N	413.499	3.603	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)NCc2ccc(N(C)C)cc2C)cc1Cl	734502960	PFGSAZKDGRADPM-UHFFFAOYSA-N	403.331	3.855	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)c2)cs1	734702080	UNUMBPDNBZICAH-UHFFFAOYSA-N	408.527	3.748	10	20	HHCD	
CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(N2CCOCC2)cc1	741729761	FDQJQUQIKAPDGF-UHFFFAOYSA-N	407.436	3.613	10	20	HHCD	
CN(C)[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	742800039	FHBAYEXGTATCJW-YLJYHZDGSA-N	403.473	3.676	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1	747316575	LFMZMVJDCONGIE-QGZVFWFLSA-N	419.407	3.793	10	20	HHCD	
CCOc1cc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)ccc1[N+](=O)[O-]	755569415	ZIYXTSXZZMMWGL-UHFFFAOYSA-N	413.455	3.980	10	20	HHCD	
C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)cc(F)c1O	756674144	IOFQMUZXDYNBGS-YVEFUNNKSA-N	407.283	3.746	10	20	HHCD	
COc1ccc(N[C@@H](C)c2cc(Br)cc(Cl)c2O)cc1-n1cnnn1	757610808	HYILNXMRPRVMRT-VIFPVBQESA-N	424.686	3.966	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O	759669076	GOUXUSGHOJYXPQ-ISKFKSNPSA-N	413.537	3.807	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](c3ccccc3OC)c3nccn3C)CC2)cc1	764817227	XHFKORIVIMGSJV-QHCPKHFHSA-N	406.530	3.785	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2	764894376	GOKYXTKNWVWPID-UHFFFAOYSA-N	407.470	3.841	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1	765240461	SSWLIOFRXZAJMY-HXUWFJFHSA-N	424.589	3.654	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CSc1nccc2ccccc12	767418769	BUGZPQGEJHFFGH-UHFFFAOYSA-N	423.538	3.595	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1c2ccccc2CC[C@H]1C	767816646	STQGHNDJOMXBEN-AABGKKOBSA-N	407.558	3.930	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CCSc2ncnc3sc(C)c(C)c23)c1	769540114	CCBCJSNJBKOFLK-UHFFFAOYSA-N	403.529	3.821	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](Cc2ccccc2)c2cccs2)c1	769873981	YJBQPXIOFRRNPN-QGZVFWFLSA-N	416.524	3.539	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(-c4cnn(C)c4)ccc3F)c2)CC1	770144201	SWTVOSQQGRDRCE-UHFFFAOYSA-N	407.493	3.620	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(Br)c1	770272789	KDCYBVZYSIIAOO-UHFFFAOYSA-N	418.335	3.695	10	20	HHCD	
CC(C)(NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)NCC1CCCC1	771206476	ZKVIEMDKARXNQU-UHFFFAOYSA-N	402.539	3.760	10	20	HHCD	
CCCCn1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C	772059282	WBDHATBIDDLNEE-HZPDHXFCSA-N	402.514	3.674	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(OC(F)F)cn2)cc1	772611054	LCUCCXYXPLDCSZ-GOSISDBHSA-N	405.445	3.570	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(SC)cc2OC)cc1	772937354	JCAKTTDPQSBXKU-UHFFFAOYSA-N	415.559	3.860	10	20	HHCD	
COc1ccc(Br)c2[nH]c(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc12	773741398	WNVXVEOCNLPJAW-SNVBAGLBSA-N	419.275	3.711	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl	774725864	RSWVLRBISMAJRS-UHFFFAOYSA-N	409.313	3.797	10	20	HHCD	
COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1Br	774955983	POKPATGNQSRRDQ-SNVBAGLBSA-N	411.252	3.931	10	20	HHCD	
CC(C)C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	775193772	BFMIMUNZHRVGGN-XXBNENTESA-N	423.557	3.604	10	20	HHCD	
CC[C@@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)c(Cl)c1O	775524507	AULZCHGKBUBUNT-OAHLLOKOSA-N	407.363	3.696	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)nc1C	776743921	NDOQBRYDTNNLFC-UHFFFAOYSA-N	414.512	3.995	10	20	HHCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	778113092	DIUTZWYEGVQSDC-NQIIRXRSSA-N	424.501	3.961	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccc(N3CCOCC3)nc2)c1O	779001285	ARKWVRPHEYEQPA-AWEZNQCLSA-N	406.324	3.546	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)C2CCCCC2)cc1	784061761	VBBCWDAOXBBWCT-UHFFFAOYSA-N	417.412	3.895	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cccc(Cl)c3C)CC2)cc(OC)c1OC	784799000	SUQDDYFGAWQVRD-UHFFFAOYSA-N	404.894	3.637	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@@H]1CCSC1	791110628	DWTUYDWELHRLFA-CJAAZZPWSA-N	412.627	3.599	10	20	HHCD	
C[C@H]1C[C@@H](N2CCOCC2)CN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	796376456	MVISXSLRLVXKRL-PGRDOPGGSA-N	407.518	3.836	10	20	HHCD	
CC[C@](O)(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	800460789	VPROFZLEGLOLAE-OPAMFIHVSA-N	402.922	3.652	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1	802551855	YLUROLGXKCSTCT-UHFFFAOYSA-N	401.875	3.766	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(=O)OC)c(C)cc1C	802610150	RXEGMSGWVLBINR-UHFFFAOYSA-N	412.486	3.563	10	20	HHCD	
O=C(N[C@@H]1CCCc2sccc21)C(=O)N(Cc1ccco1)Cc1ccccc1O	804384942	IVQNDCMYJHFGHS-GOSISDBHSA-N	410.495	3.769	10	20	HHCD	
CNC(=O)CCOc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	806259043	KUDHUMVJIWVEHQ-UHFFFAOYSA-N	412.273	3.536	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)CC2)cc1	806683938	OTRLFDAXLPPXFZ-MJGOQNOKSA-N	412.361	3.889	10	20	HHCD	
CCOCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1	810465449	HSOCZYKLVDOOED-AWEZNQCLSA-N	422.445	3.837	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	815835380	QWRXSTBYRIRDDT-LJQANCHMSA-N	418.969	3.763	10	20	HHCD	
Cc1ccnc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1	818440135	UFHYTVHBJNQOHK-WJDWOHSUSA-N	417.581	3.749	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCCC23OCCO3)cc1	857449800	JLARNFMVERWMOI-JOCHJYFZSA-N	410.514	3.838	10	20	HHCD	
O=C1c2ccccc2N[C@H](c2ccc(Br)cc2O)N1C[C@@H]1CCCO1	877844971	AZYHHCXEKBTRDU-UGSOOPFHSA-N	403.276	3.900	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COc1cccc(N2CCCC2=O)c1	914840767	SZLZSQXPQYUVOO-UHFFFAOYSA-N	409.530	3.695	10	20	HHCD	
COc1ccc(-c2noc(CCC(=O)NCc3ccc(N4CCCC4)cc3)n2)cc1	915082410	IAXDDYVTVLCIMV-UHFFFAOYSA-N	406.486	3.594	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@@H]1COCCO1	916438365	JSVNPVDXVDWSLB-HKUYNNGSSA-N	408.420	3.714	10	20	HHCD	
COc1ccccc1OCCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	916565389	BIGRPWOZNCSNBY-NRFANRHFSA-N	412.530	3.738	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C2CC2)cc1	917417038	GHSRTWOHACDYSE-UHFFFAOYSA-N	424.936	3.590	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)c4c(c3)OCO4)cc2F)C[C@@H](C)O1	917709066	DEFUWPPSYRSHNV-BETUJISGSA-N	420.868	3.751	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)cc1	917821575	UXNOZQIZARCODD-UHFFFAOYSA-N	401.488	3.678	10	20	HHCD	
CN(C)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)cc1	918090531	GYSWBOYAWZFJRR-SFTDATJTSA-N	415.509	3.525	10	20	HHCD	
CC1CCN(Cc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)CC1	918306319	YJAFQBXDMNVGEK-UHFFFAOYSA-N	422.573	3.582	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cnc2ccccc2c1	918309289	VXPUJMBMWPAUAI-UHFFFAOYSA-N	402.498	3.822	10	20	HHCD	
C[C@H](Cc1ccsc1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	918780732	OJXHYGAHHQKEDC-BZUAXINKSA-N	405.539	3.931	10	20	HHCD	
CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	919476467	UICWGTOHODGIAN-OAQYLSRUSA-N	410.514	3.920	10	20	HHCD	
C[C@@H]1CCC[C@@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	920010041	PJOZUUKOCRIGLV-ZIAGYGMSSA-N	406.438	3.926	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1	1320196432	FOTPVZFQMDXEBP-FQEVSTJZSA-N	403.473	3.876	10	20	HHCD	
Cc1nnc(O)c(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1C	1321384773	WHKLZUCVEWOIPZ-CYBMUJFWSA-N	417.941	3.688	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2ccc3c(c2)CCO3)cc1	1322460060	QNVPOVXODPRZHQ-QHCPKHFHSA-N	408.542	3.828	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cccc(Br)c3)CC2)cc1	110467544	VWSRPOPGQSNKBM-UHFFFAOYSA-N	418.335	3.926	10	20	HHCD	
CCCN(CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)Cc1ccccc1O	110738516	ATSICGCWUSUHQT-NRFANRHFSA-N	412.530	3.985	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1	170551166	MBGJOCJFBVQXJV-UHFFFAOYSA-N	421.931	3.900	10	20	HHCD	
COc1ccc(Br)cc1/C=C1/NC(=S)N(Cc2ccccc2)C1=O	302629350	CAPFRQOHHMHGKW-XNTDXEJSSA-N	403.301	3.716	10	20	HHCD	
C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	303325389	BPACFHUENJGBQT-UTKZUKDTSA-N	400.494	3.732	10	20	HHCD	
CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	303833941	PDFATQLBBQYSQK-UHFFFAOYSA-N	419.522	3.613	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1	437005816	GJJCYCMKVITNBU-UHFFFAOYSA-N	405.285	3.675	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	513668340	XHKXJRCHQIVSAQ-UHFFFAOYSA-N	416.403	3.996	10	20	HHCD	
Cc1cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)ccc1NC(=O)C1=S=CC=C1	536205077	PPRJZHDEMOBHIF-UHFFFAOYSA-N	418.522	3.990	10	20	HHCD	
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	726293145	DEEDOYPXLYZZCF-UHFFFAOYSA-N	414.509	3.694	10	20	HHCD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)c(O)c1O	727005057	DXFIWGAVUFSIRY-ZDUSSCGKSA-N	404.488	3.774	10	20	HHCD	
Cc1c(Br)cccc1NC(=O)NCc1ccc(N2CCOCC2)cc1	727030335	NEYVATIZAHTLTH-UHFFFAOYSA-N	404.308	3.916	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2c(F)cccc2F)nc1-c1ccccc1	727251464	ZNZBTWDVKJPOAL-UHFFFAOYSA-N	424.450	3.605	10	20	HHCD	
CCC(CC)N(CCOC)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	728220279	JWOASKXXFRJCJG-CALCHBBNSA-N	409.546	3.786	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1	729044093	CCLKXSOFDNMFGB-HNNXBMFYSA-N	408.502	3.823	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(Nc3ccc4nnc(C5CC5)n4n3)CC2)cc1	731662072	CSFLJGCIIOKSCS-UHFFFAOYSA-N	400.433	3.684	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)OCC(=O)NCC(=O)c3cccs3)c2C)c1	731691438	JHBVSRRGWNGSOV-UHFFFAOYSA-N	410.495	3.620	10	20	HHCD	
COc1ccc([C@@H](NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)cc1	732203104	LSOJLGBDHCWXCQ-DHLKQENFSA-N	424.541	3.649	10	20	HHCD	
Cc1cc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c(C)n1-c1cccc(Cl)c1	734453223	OGTWTLCVILDECO-OAQYLSRUSA-N	414.981	3.600	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(Cl)ccc1N(C)C	737009215	ORFPCRGADDTUHD-UHFFFAOYSA-N	402.926	3.907	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCC(C)(C)CC3)cc2F)C[C@@H](C)O1	741805773	VATZYLWJQLLUKS-QZTJIDSGSA-N	405.558	3.568	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1	742273839	SAYNOLRYXZAGKU-UHFFFAOYSA-N	416.522	3.678	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	742475312	FMQINRIVNNNBBL-QGZVFWFLSA-N	413.468	3.624	10	20	HHCD	
CC(C)c1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)on1	742754539	PPLQKVHKDKCKDK-GOSISDBHSA-N	416.522	3.860	10	20	HHCD	
COc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1-n1cnnn1	743193006	IBHQWYAGBATUJO-UHFFFAOYSA-N	422.489	3.743	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Oc2ccccn2)c1	743889109	KNWBZDOMVMUPTL-UHFFFAOYSA-N	418.497	3.927	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(-c2nccs2)c1	743956405	SVDYMINDODZTOO-UHFFFAOYSA-N	407.495	3.649	10	20	HHCD	
O=C(NCC1(O)CCCCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745904161	MSLLKXNGYWLZME-INIZCTEOSA-N	411.493	3.641	10	20	HHCD	
CN1CCc2nc3ccccc3c(C(=O)NCc3ccc4c(c3)CCCN4C)c2C1	746809279	RLJDOBXDBOSOJS-UHFFFAOYSA-N	400.526	3.535	10	20	HHCD	
CO[C@@H](C)c1noc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n1	747530457	WQBHPELZJYWVOT-AWEZNQCLSA-N	402.495	3.755	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C2CC2)cc1	747746527	ASYXCIGUWIRLMC-UHFFFAOYSA-N	407.848	3.814	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1F	747860253	QBGAVLFMZUMPOW-UHFFFAOYSA-N	406.479	3.649	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)Nc3ccccc3S2(=O)=O)c(C)n1-c1ccccc1	750006912	KTZAXEAJFDRWSE-UHFFFAOYSA-N	409.467	3.513	10	20	HHCD	
Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccc(OCc3ccccc3)cc2O)cn1	753550199	VDFPIMBPBBRJJH-FYYLOGMGSA-N	407.514	3.793	10	20	HHCD	
COCCc1noc(-c2cc(Cl)ccc2NC(=O)NCc2ccccc2O)n1	753559685	ZXKBNKJRZKBAMF-UHFFFAOYSA-N	402.838	3.606	10	20	HHCD	
CC(C)(C)S(=O)(=O)N1CCC(NCc2cc(-c3ccccc3)ccc2O)CC1	755219939	MBRZEJIDBBBRTD-UHFFFAOYSA-N	402.560	3.742	10	20	HHCD	
C/C(=C\c1ccccc1)CN(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	755592831	DKXUXBPLGBVLPX-SIWPHUPXSA-N	420.557	3.633	10	20	HHCD	
C[C@H](NCCCCN1CCC[C@@H]1CO)c1cc(Br)cc(Cl)c1O	756563849	OQYJMTZGCOZHRG-GXTWGEPZSA-N	405.764	3.696	10	20	HHCD	
CN(CCc1ccccn1)Cc1cc(Br)cc(Br)c1O	757884924	DXZJEEDTYMMZCD-UHFFFAOYSA-N	400.114	3.987	10	20	HHCD	
CN(C)[C@H](CNC(=O)NCCCSc1nccs1)c1c(F)cccc1F	759580560	POORLMDNSCZLRW-CQSZACIVSA-N	400.520	3.506	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1	761117765	AACLDWWGTCXWJR-ICSRJNTNSA-N	418.852	3.869	10	20	HHCD	
CCOC(=O)CSc1cncc(N(C)Cc2ccc(N3CCCCC3)cc2)n1	762634077	VZOOEWBZIXMAMI-UHFFFAOYSA-N	400.548	3.759	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(C(C)C)c1	764428834	LMDREUYCXJUTDL-HXUWFJFHSA-N	402.560	3.867	10	20	HHCD	
COc1ccc(N2CCC(NCCCN3CCN(C)C[C@@H]3c3ccccc3)CC2)cc1	764885626	ZUYSWUKDYXRATH-AREMUKBSSA-N	422.617	3.632	10	20	HHCD	
Cc1cnc(Br)cc1NC(=O)NCc1cccc(Br)c1O	765349089	RZZQANRFOKLQLF-UHFFFAOYSA-N	415.085	3.942	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H](O)C(F)(F)F	765888957	OYOCYUCNOMXBRT-HZPDHXFCSA-N	408.380	3.859	10	20	HHCD	
C[C@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl	766460920	INMUOVUQCYBLDW-INIZCTEOSA-N	422.978	3.572	10	20	HHCD	
CCc1ccc(C(=O)Nc2sccc2C(=O)NCCc2ccc(O)c(O)c2)cc1	767774030	PDJFPTCAWXDHIH-UHFFFAOYSA-N	410.495	3.947	10	20	HHCD	
CC(C)NC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	768123833	BKWSQOFSBFADRZ-UHFFFAOYSA-N	412.445	3.853	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c(Cl)nc2ccccn12	771063331	FJMRGAATAPDJRT-OAHLLOKOSA-N	419.312	3.741	10	20	HHCD	
CC(C)[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1	772113524	YYTJCKIOSKBWEU-VQIMIIECSA-N	411.493	3.760	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1	772826389	DKOMJKKEDABXGL-HXUWFJFHSA-N	408.464	3.830	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2c(O)cccc2F)NC(=O)OC(C)(C)C)cc1	773192255	PYNTYTYHQYNCAH-QGZVFWFLSA-N	417.481	3.593	10	20	HHCD	
COc1cc(OC)cc(OCCCN(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773616067	HCFUDEDSLLCWGK-QGZVFWFLSA-N	415.534	3.941	10	20	HHCD	
C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCOc2cc(N(C)C)ccc21	774752794	LYQFIFVIMFSHNX-SECBINFHSA-N	415.362	3.674	10	20	HHCD	
COc1cccc(CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C2CCC(O)CC2)c1	774874229	ABCJABXDEHDPIC-UHFFFAOYSA-N	416.474	3.623	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	775254507	JQBBSNUCMUEALX-NTKDMRAZSA-N	406.526	3.767	10	20	HHCD	
Cc1cccc(CNCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)c1O	776253149	SPGVQGASMZVUDE-UHFFFAOYSA-N	402.560	3.552	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(OCc2cn3ccccc3n2)cc1	779514381	LJDAVDNTIFFNKL-WZUFQYTHSA-N	401.422	3.976	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccc1	783912595	YWUMJAIQVTVQNT-UHFFFAOYSA-N	422.504	3.731	10	20	HHCD	
CCn1ncc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc21	784059998	USKOIPDNDXOSLV-UHFFFAOYSA-N	405.502	3.943	10	20	HHCD	
COC[C@H](NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)[C@H]1CCCO1	790278912	CGDLHCUYBXGWQE-RBUKOAKNSA-N	421.335	3.780	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(Oc3ccc(F)nc3)CC2)c1O	792182878	HCMBVCZLWDNXQZ-UHFFFAOYSA-N	411.271	3.741	10	20	HHCD	
COc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c(O)c1	794382159	ZCGMNSQYNGNRAH-GOSISDBHSA-N	420.893	3.936	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ccnn3-c3ccc(F)cc3)SC2=S)cc1	794859657	ZFFZBUNNFAVWCJ-BOPFTXTBSA-N	424.482	3.516	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1	797444075	SSVCGQXUUSDJST-ZDUSSCGKSA-N	415.342	3.870	10	20	HHCD	
CCCc1noc2nc(CC)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c12	800328552	QDFVUDHKELECJC-UHFFFAOYSA-N	408.502	3.504	10	20	HHCD	
COc1cc(Br)cc(CN(C)CC(=O)N(C)[C@H](C)c2ccccc2)c1O	800543462	CATSSYYEXOAXQZ-CQSZACIVSA-N	421.335	3.815	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1cccc(Br)c1	801549777	ABHMAXYKISPKJN-UHFFFAOYSA-N	419.319	3.713	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	807838045	HTNKKRVCOZHVIU-UHFFFAOYSA-N	407.213	3.723	10	20	HHCD	
COc1ccc(Br)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1	808114469	ZPQIEKUWQQYMBX-UHFFFAOYSA-N	410.648	3.757	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)OC2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	808884522	DJENGGKMYGVRJB-HNNXBMFYSA-N	417.412	3.749	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1	813732877	BNMVQCONCCEPJX-UHFFFAOYSA-N	424.589	3.830	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c(C)n1-c1ccccn1	914904679	BZADPOGPVWVJBF-VQIMIIECSA-N	405.498	3.954	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	917712995	YZXPWUPYJNTDAF-OAGGEKHMSA-N	404.457	3.662	10	20	HHCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(N2CCN(C)CC2)c(F)c1	1115862550	WKWQAAVZKJKIHF-SFQUDFHCSA-N	424.545	3.910	10	20	HHCD	
CN1CCN(C(C)(C)CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	1319535671	QBPVIHVWRGOXNP-UHFFFAOYSA-N	422.577	3.924	10	20	HHCD	
O=C1Cc2cc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)c(Cl)cc2N1	1322227020	VLJDBNCNWURXGV-UHFFFAOYSA-N	424.932	3.619	10	20	HHCD	
Cc1c(C(=O)Nc2c(Cl)ccc3nonc23)nnn1-c1ccc(OC(F)F)cc1	1324141725	MQDUSIGEPLLYFZ-UHFFFAOYSA-N	420.763	3.619	10	20	HHCD	
Cc1cccc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c1Br	1343413761	IXZONSLEMQUCLA-UHFFFAOYSA-N	406.343	3.938	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)c2C)c1	5924448	HNPFVRWWWRJHOJ-UHFFFAOYSA-N	417.465	3.545	10	20	HHCD	
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)ccc21	7323181	TXZPPPBGKPROJX-UHFFFAOYSA-N	413.524	3.910	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cc3c(cc2Br)OCCO3)cc1	53984066	IAISVQBOKGTSGS-UHFFFAOYSA-N	406.280	3.608	10	20	HHCD	
C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(N2CCOCC2)cc1	145617715	NRSLFVKDNSVQQS-SFHVURJKSA-N	405.498	3.988	10	20	HHCD	
Cn1cc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)c(-c2cccs2)n1	537652878	RHSAEUXDVSLSGA-FMIVXFBMSA-N	404.451	3.501	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1	726715730	YXRYZAYDZPFTIA-UHFFFAOYSA-N	422.573	3.813	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H](O)COCc1ccco1	726856828	OEJKCINQNOZRJB-INIZCTEOSA-N	416.499	3.604	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CCN(C(=O)c2ccccc2)CC1	727599576	HEJGOMFGFWEBMF-UHFFFAOYSA-N	420.557	3.733	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c1	728979330	UJQSQPWKCBGCMI-CQSZACIVSA-N	403.500	3.608	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cc(N4CCNC4=O)ccc3F)cc2)CC1	737844523	QHZPIEPKEBNQNA-UHFFFAOYSA-N	410.493	3.522	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1	740813204	XNMVIWVCACVSFZ-UHFFFAOYSA-N	420.915	3.822	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(N2CCCC2=O)c1	740910455	QOPXRJIQHWPSGX-GOSISDBHSA-N	404.514	3.750	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	742334040	DHDAGJNYPZEOJO-CYBMUJFWSA-N	402.488	3.605	10	20	HHCD	
O=C(COc1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1	742689931	LNNPMDARANACES-UHFFFAOYSA-N	423.340	3.897	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)Cc2ccsc2)NC(=O)OC(C)(C)C)cc1	742750621	ORJGAVNHUMUJIH-SFHVURJKSA-N	403.548	3.739	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	742951977	DVCVPKAJBLYIIP-UHFFFAOYSA-N	416.403	3.996	10	20	HHCD	
O=C(NCCSC(F)(F)F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743552042	PTZXGYWPYRHYNQ-LLVKDONJSA-N	413.412	3.809	10	20	HHCD	
Cc1ccc([C@H](NC(=O)c2cc(O)cs2)c2cccc(S(C)(=O)=O)c2)c(C)c1	743712567	UPRPKJQMIPARHV-HXUWFJFHSA-N	415.536	3.993	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1	746240415	PMTHHWFXKJJFNI-SFHVURJKSA-N	400.475	3.673	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cc(Cl)cc4cccnc34)ccc21	747017650	UKUZIBPPUNQVNZ-UHFFFAOYSA-N	408.889	3.526	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc4c(cnn4C(F)F)c3)CC2)cc1	747394289	MTJKRTXUXYMKLZ-UHFFFAOYSA-N	401.417	3.794	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCC1CCN(CC(F)(F)F)CC1	748971439	KPWPPKLBEVYRON-UHFFFAOYSA-N	400.489	3.525	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)c(C)n1-c1ccc(Br)cc1	749184293	FBTPPJDETJEQKK-AEFFLSMTSA-N	418.335	3.631	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cc(F)ccc1N1CCCCC1	749731550	SCWFVZSHBNAWFR-UHFFFAOYSA-N	422.551	3.510	10	20	HHCD	
CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	750069407	JQSMHPIYQASAQR-MRXNPFEDSA-N	400.494	3.894	10	20	HHCD	
COC(=O)[C@H]1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1	750826825	FGXOPOXPNNMFDP-CVEARBPZSA-N	400.441	3.623	10	20	HHCD	
CN(C)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c1	751136750	LZTHQCCWXVOUNV-UHFFFAOYSA-N	416.543	3.618	10	20	HHCD	
O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NCc1ccc(N2CCCC2)cc1	751329078	KWZNUSIOPSVSGH-UHFFFAOYSA-N	421.522	3.998	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3ncc(Br)cc3Cl)cc2)CC1	755032210	RSORDYGFTSVKQH-UHFFFAOYSA-N	423.742	3.778	10	20	HHCD	
C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1cc(Br)c(F)cc1O	756383640	YKUOWIVHXILCDC-GFCCVEGCSA-N	405.271	3.784	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(OCC(F)(F)F)c(OC)c2)c1	756394173	AQKJJVOFJOMYDO-LBPRGKRZSA-N	413.392	3.979	10	20	HHCD	
C[C@H](NCCCNC(=O)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O	756523959	FAMDTLQZPFMKGJ-LBPRGKRZSA-N	422.279	3.534	10	20	HHCD	
C[C@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1O	756642089	LGEGWDXAXCWZSH-ZDUSSCGKSA-N	416.393	3.976	10	20	HHCD	
CCC[C@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	758311969	ABWNECGSTGUVBB-AWEZNQCLSA-N	408.545	3.907	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	758962762	JKTPVMMMZDXDCE-IBGZPJMESA-N	411.546	3.552	10	20	HHCD	
O=C(CCSc1ccccn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761984476	ZGQNHEOHSNQLNY-QGZVFWFLSA-N	405.951	3.704	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1	764555806	ADAPRTCTSLECEY-LJQANCHMSA-N	404.555	3.587	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OCc2nccn2C)cc1	765119513	XVDYJSKDOMFIKO-SFHVURJKSA-N	424.520	3.826	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc([S@@](C)=O)cc3)cc2F)CC1	765851990	ILYRCLLBPRCOGQ-JYRCXFKTSA-N	403.567	3.556	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@H]3CCCOc4c(Cl)cccc43)cc2)CC1	765977762	IQCJFHRSVXSFPE-FQEVSTJZSA-N	420.962	3.578	10	20	HHCD	
Oc1cc2c(cc1CN1CCN(C(c3ccccc3)c3ccccc3)CC1)[C@H](O)CO2	768437706	DICFPEKXJZYIFO-XMMPIXPASA-N	416.521	3.725	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H](OC)c3ccc(F)cc3)CC2)cc1	770830002	KGCAARNGCVLDDK-OPAMFIHVSA-N	415.509	3.879	10	20	HHCD	
CCO[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1	771064066	GYNXHOYLUYMAPC-PZJWPPBQSA-N	402.922	3.904	10	20	HHCD	
CC(C)[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1	772113413	YYTJCKIOSKBWEU-APWZRJJASA-N	411.493	3.760	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(N2CCOCC2)cc1Cl	773069566	UVTGAWGNOYMEJI-IIBYNOLFSA-N	405.970	3.761	10	20	HHCD	
C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(N(C)C)cc1	773615405	XGHUPGNGWFMTBH-MRXNPFEDSA-N	414.937	3.635	10	20	HHCD	
CCCN(Cc1ccc(C)cc1)C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	775255165	POFXZZZTVDWVOJ-OAQYLSRUSA-N	409.574	3.921	10	20	HHCD	
CCc1ccc(NC(=O)c2nnc(CN[C@@H](C)c3cc(OC)ccc3O)s2)cc1	775371106	TYORUYUEVMLDJA-ZDUSSCGKSA-N	412.515	3.918	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2coc(C3CC3)n2)NC(=O)OC(C)(C)C)cc1	777258559	HXGOWLQUVBZHLJ-KRWDZBQOSA-N	414.506	3.614	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)nc(C(F)(F)F)n1	778989819	FPPKPENRZWGZLJ-UHFFFAOYSA-N	418.213	3.934	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H](c3ccccc3)c3ccccn3)cc2)C1	779020344	RAKWUXBLXUNBKD-XUZZJYLKSA-N	400.526	3.663	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1	779497333	CKLSDNFAWFSEBW-GPVYEGESSA-N	415.449	3.793	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1	779511317	USEXVHXICFCXHY-MXNSTGJPSA-N	416.518	3.892	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	783315724	HTCZWBFCSZWAQY-UHFFFAOYSA-N	418.881	3.690	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1	784031287	ZJBNVGKCTVWYRU-UHFFFAOYSA-N	406.486	3.572	10	20	HHCD	
O=C1C[C@H]([C@H]2CCCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CN1	785298693	LZWPSRFRTYTJCV-OXJNMPFZSA-N	419.485	3.558	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](c2ccccc2)c2ccco2)cc1	785544906	NHOFYEYCSIJGMP-QHCPKHFHSA-N	419.525	3.990	10	20	HHCD	
CC(C)Oc1cccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	786841041	OCECXGUPTHWYLI-UHFFFAOYSA-N	422.481	3.618	10	20	HHCD	
NC(=O)[C@H](NCc1cc(Cl)cc(Cl)c1O)c1cccc(Br)c1	793265752	JOORYMAKDJLEIQ-CYBMUJFWSA-N	404.091	3.778	10	20	HHCD	
Cc1ccccc1-n1nccc1/C=C1/SC(=S)N(c2ccc(C(N)=O)cc2)C1=O	794859165	LAYPBEHVRYZRJW-LDADJPATSA-N	420.519	3.685	10	20	HHCD	
O=S(=O)(CCc1cccc(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	795852156	WNIXOIFDEPDZLE-IBGZPJMESA-N	409.935	3.599	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCCC4)nn3)cc2Cl)C1	800047790	PRNYKSYNBBKCBO-MRXNPFEDSA-N	413.953	3.897	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](c1ccccc1F)C1CCCC1	807095931	CLESYVVXPJTXBC-JOCHJYFZSA-N	411.521	3.864	10	20	HHCD	
O=C(NCCn1cc(Br)cn1)N(Cc1ccccc1O)C1CCCCC1	807529818	FYKVNFVQLGIFKV-UHFFFAOYSA-N	421.339	3.896	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H](c1cccc(F)c1)N1CCOCC1	807837499	SAAHHJUDFWWGQP-KRWDZBQOSA-N	413.276	3.528	10	20	HHCD	
Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1	811706096	XNALUPSUDZMRGJ-UHFFFAOYSA-N	413.879	3.778	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCOC(C)(C)C1	812010057	UCCCHGGSACDBEM-SCTDSRPQSA-N	421.557	3.928	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)c(C)n1-c1ccccn1	914907690	VHVLNZSSYQWXEV-KRWDZBQOSA-N	406.486	3.739	10	20	HHCD	
Cc1occc1C(=O)Nc1nc(CC(=O)NCc2ccc(N3CCCC3)cc2)cs1	917116832	COGJNDBMNKBABB-UHFFFAOYSA-N	424.526	3.756	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)n2)c(C)c1	917853292	NYUCHBQRCPRREU-UHFFFAOYSA-N	415.540	3.930	10	20	HHCD	
Cc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	918117078	GHDAUCCHDLSAHN-JTHBVZDNSA-N	420.557	3.743	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1SC(F)(F)F	918305554	KCRLAGFIJJWZEB-UHFFFAOYSA-N	411.449	3.962	10	20	HHCD	
Cc1cc(C(=O)N2CCC(N3CCNC3=O)CC2)c(C)n1-c1cccc(C(C)C)c1	918357310	YVVAQYNTLMJMMQ-UHFFFAOYSA-N	408.546	3.847	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c(C)n1-c1ccc(F)cc1	918585242	RFKYMEAIEODDBP-KRWDZBQOSA-N	422.504	3.783	10	20	HHCD	
Cc1ccc2nc(CSCC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cn2c1	920889999	SPSDEJMXZWPMCZ-SFHVURJKSA-N	424.570	3.590	10	20	HHCD	
CC(C)c1ccc(NC(=S)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	920994984	OZSGOYXTNPQIFT-UHFFFAOYSA-N	417.600	3.531	10	20	HHCD	
Cc1cc(-c2nnc(CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)o2)c(C)n1-c1ccccc1	1117165263	PWRQVRBEPUBVTO-RTBURBONSA-N	418.497	3.862	10	20	HHCD	
COc1ccc(N2CCCN(c3cnn(Cc4ccccc4)c(=O)c3Cl)CC2)cc1	108094736	NOZTUWJUZOCFPC-UHFFFAOYSA-N	424.932	3.670	10	20	HHCD	
Cn1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2cccnc2)n1	237786897	DPAYULZLBLSPFM-SFHVURJKSA-N	413.472	3.842	10	20	HHCD	
CCCC(=O)Nc1cccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1C	472769048	IDVWPADHXQQSBA-UHFFFAOYSA-N	420.513	3.789	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1	808070812	AKJFBQOWVLDHOP-PZJWPPBQSA-N	404.551	3.621	10	20	HHCD	
O=C(NCCCC(=O)N1Cc2ccccc2C1)NCc1cc(Cl)cc(Cl)c1O	806786973	BFQCSDNQZXLTOV-UHFFFAOYSA-N	422.312	3.821	10	20	HHCD	
C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(F)(F)F	809300443	LQBXFEBUXHSSEQ-ANHFWZFOSA-N	408.492	3.797	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](n4cc(C)cn4)C3)c2C)cc1	810120695	NTIUICYPHXWRDD-OAQYLSRUSA-N	420.513	3.515	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1	728978831	PTQFNUBPEUAESR-GFCCVEGCSA-N	412.467	3.673	10	20	HHCD	
Cc1cc(C(=O)N2CC(CN3CCN(C)CC3)C2)c(C)n1-c1ccc(C(C)C)cc1	820458599	FZGWXGQCABDCNU-UHFFFAOYSA-N	408.590	3.537	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H](c1ccccc1)[C@H]1CCCO1	726707301	UREXJORBISDOKM-RPWUZVMVSA-N	423.557	3.615	10	20	HHCD	
Cc1cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc1F	729677965	KNQKCZYNTZFVLX-UHFFFAOYSA-N	409.484	3.680	10	20	HHCD	
COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1	725830773	GAKRMXGMJGNVOU-UHFFFAOYSA-N	423.897	3.580	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCO4)cc2F)C[C@@H](C)O1	735237626	HUJSBGXBIFZIGG-ZIAGYGMSSA-N	417.506	3.655	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(=O)oc2c(C)c(C)ccc12	732202979	KPIGTHPDXUBYHD-UHFFFAOYSA-N	415.873	3.944	10	20	HHCD	
COCCN(C(C)=O)c1nc(CSc2ncc(-c3ccccc3)n2C)cs1	733749745	WROSMUFICXUXDN-UHFFFAOYSA-N	402.545	3.835	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1	733973349	GBEJOGXVEDXUSR-CQSZACIVSA-N	422.551	3.825	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1	734066083	NZXMYTDEEUOJST-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3cc(-c4ccccc4)on3)cc2F)C[C@@H](C)O1	735853208	HAIDUQONDAPWAO-IAGOWNOFSA-N	423.488	3.953	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(Cl)ccc3OC)cc2F)CC1	730134845	NDIALESKCZTFSK-UHFFFAOYSA-N	420.916	3.951	10	20	HHCD	
NS(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2ncccc12	736592520	PHXLBOIJYYNWKO-UHFFFAOYSA-N	422.485	3.796	10	20	HHCD	
CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919971209	LFVKTBVEIULDEF-KRWDZBQOSA-N	414.521	3.996	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(OC)c1	740904512	GBAHCQOYVUWBMZ-DEOSSOPVSA-N	422.573	3.954	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1cccc(Cl)c1	919765918	PUBGIBJZPRTEEG-UHFFFAOYSA-N	424.932	3.855	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCCC[C@H]1c1ccncc1	918224208	NJFRYPWHKOHOEP-NRFANRHFSA-N	412.509	3.884	10	20	HHCD	
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	742573350	LCMICJJNIMHQPS-UHFFFAOYSA-N	413.493	3.577	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)CC[C@H](C)O)sc(C)c1-c1ccccc1	744406683	MMQHAZXQUWGERR-AWEZNQCLSA-N	404.532	3.541	10	20	HHCD	
CCN(C[C@H]1CCCO1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	743912056	QQFMXYNQBQGIKZ-RGHBXIHOSA-N	424.613	3.757	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1	745282180	JSUNXFKOYZLOEN-UHFFFAOYSA-N	404.461	3.590	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1c[nH]cc1-c1ccc(F)cc1	745268366	FCAOAEQSKKPIIH-UHFFFAOYSA-N	409.461	3.702	10	20	HHCD	
C[C@H]1CN([C@H](CNCc2ccc3c(c2)CCO3)c2c(F)cccc2Cl)CCO1	917395643	WXHYBXUCQRDVAA-MGPUTAFESA-N	404.913	3.966	10	20	HHCD	
C[C@@H]1CCC[C@H](N(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1	917058812	YOFYSSIVRKDXFC-MLYOOKFZSA-N	405.558	3.566	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)c1	743909445	BFVHSNWQEMZQCW-UHFFFAOYSA-N	413.499	3.563	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cc2cc3c(cc2O)OCO3)CC1	742558380	NPFZBTVVDALYSF-KRWDZBQOSA-N	404.507	3.732	10	20	HHCD	
CC[C@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc(N4CC=CC4)cc3)ccc2NC1=O	745929004	AJUXYULICGLCKV-HRAATJIYSA-N	420.513	3.733	10	20	HHCD	
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)CC[C@@H]1NC(=O)OC(C)(C)C	757647828	MWYOMFKVRHHXJI-PXNSSMCTSA-N	418.582	3.896	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	756542595	BPYBXRUVUWRPKT-RDTXWAMCSA-N	406.523	3.697	10	20	HHCD	
C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Br)cc1O	756355595	SUYSEFPNAFDRSQ-BBRMVZONSA-N	411.365	3.940	10	20	HHCD	
O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(Cl)cc(Cl)c1O	756379875	PEIXOJSUKYSBKW-INIZCTEOSA-N	424.240	3.874	10	20	HHCD	
Cc1nn(C)c2ncc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc12	750902235	VWUDWDSORBNPLQ-YVLHZVERSA-N	409.540	3.749	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cnn(CC(C)C)c3C(F)F)CC2)cc1	758572069	JOPJBABDKDFUQJ-UHFFFAOYSA-N	406.477	3.838	10	20	HHCD	
CCc1c(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cnn1Cc1ccccc1	753740563	RQXBZWIRCLATKD-UHFFFAOYSA-N	422.504	3.604	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(NC(=O)C4CC4)c3)CC2)cc1F	753878021	JGVLAEIHMCVOOX-UHFFFAOYSA-N	412.465	3.537	10	20	HHCD	
Cc1nc(C)n(-c2ccccc2NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	759973340	FNGIFLWJWWUSOL-INIZCTEOSA-N	420.517	3.603	10	20	HHCD	
Cc1cc(C(=O)NCC2(CS(C)(=O)=O)CC2)c(C)n1-c1ccc(C(C)C)cc1	752474837	WRSHHAVFZOQEOK-UHFFFAOYSA-N	402.560	3.772	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c1	751137400	QZCUINQLACMZHP-UHFFFAOYSA-N	403.500	3.702	10	20	HHCD	
C[C@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1ccc(Br)cc1O	756344913	UNQVUEGXNGNQJE-YOEHRIQHSA-N	424.408	3.856	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CCCC1=O)c1ccc(N2CCOCC2)c(F)c1	764864055	GGJUBKJLOSHAGE-GOSISDBHSA-N	411.521	3.636	10	20	HHCD	
COc1ccc([C@@H](OC)[C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	762286901	HIYJCUROKLUXTF-XCLFUZPHSA-N	418.877	3.595	10	20	HHCD	
Cc1ccc(C2(C(=O)NCc3cccc(Br)c3O)CCOCC2)cc1	765752481	WSFZADHTJZRFAR-UHFFFAOYSA-N	404.304	3.828	10	20	HHCD	
Fc1cc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)ccc1N1CCOCC1	769545251	NEULKMMWYPWMBW-OAQYLSRUSA-N	422.447	3.837	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1Cl	765283279	TYPBWHXSIARGEX-GOSISDBHSA-N	415.965	3.864	10	20	HHCD	
Cc1cc(Br)c(O)c(CNc2ccc(S(=O)(=O)NC(C)C)cc2)c1	863990174	MGHOCMQLAOIPGW-UHFFFAOYSA-N	413.337	3.762	10	20	HHCD	
CCOc1ccc(-c2nc(NS(=O)(=O)c3cn(C)c(Cl)n3)sc2C)cc1	764527435	SFDPAWVLXUDAHB-UHFFFAOYSA-N	412.924	3.705	10	20	HHCD	
CC[C@@H](c1ccccc1)N1CC(=O)N([C@H](C)c2ccc(N3CCOCC3)cc2)C1=O	761162734	WBBDDNGTOFHUMQ-GCJKJVERSA-N	407.514	4.000	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1	761668842	IILJJDMXBVZMMF-QFIPXVFZSA-N	408.546	3.523	10	20	HHCD	
CC(=O)c1ccc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	771059436	REVSDQNECAMBPA-HXUWFJFHSA-N	400.906	3.572	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3nc4c(s3)CCCC4)CC2)cc1	772444579	ROVQDHJPBSPASX-GOSISDBHSA-N	414.619	3.893	10	20	HHCD	
COc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1C(C)C	773857335	MPWZGFWCEOPLLV-OAHLLOKOSA-N	413.518	3.709	10	20	HHCD	
CCN(C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)CC(F)(F)F	776117987	XSZMZSNGTNUTEX-SFHVURJKSA-N	412.500	3.703	10	20	HHCD	
CCCc1nc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1	777131612	OLKLEEYNMVSDOZ-UHFFFAOYSA-N	414.575	3.895	10	20	HHCD	
COc1c(Br)cccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1	775305451	JEKHJXSGDBSELB-UHFFFAOYSA-N	423.326	3.848	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](C)Oc2cccc(Br)c2)c1O	775029456	MLRUHDLSOXEDHA-NSHDSACASA-N	411.252	3.629	10	20	HHCD	
CCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1	770151996	FDYQEHCGEQATBW-UHFFFAOYSA-N	422.573	3.953	10	20	HHCD	
Cc1cc(C(=O)CONC(=N)[C@H]2CCCO2)c(C)n1-c1ccc(OC(F)F)cc1	789612243	SSOLNDDFGIYVPA-GOSISDBHSA-N	407.417	3.556	10	20	HHCD	
O=C(COC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(O)c(O)c1	783542981	NYMTVPWJVAJWES-UHFFFAOYSA-N	407.209	3.630	10	20	HHCD	
CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	786659746	NFJWHSYLGTYWSH-JOCHJYFZSA-N	411.571	3.542	10	20	HHCD	
CCOc1cccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)c1	785192321	AWCYDRYQSSOWGH-UHFFFAOYSA-N	421.291	3.541	10	20	HHCD	
COC(=O)C[C@](C)(NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1cccc(OC)c1	781433053	FROMUMLZANDROH-DEOSSOPVSA-N	421.497	3.706	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(CC(C)(C)O)[C@H](C)C3)c2C)cc1F	782011921	KHRBNGQIHVUVMV-GOSISDBHSA-N	415.553	3.501	10	20	HHCD	
Cc1cccc(-n2ncc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c2C(F)(F)F)c1	782660412	RUBYJGOZSBFKID-UHFFFAOYSA-N	420.343	3.650	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c(O)c1	793083174	ABVMCFQLQYJYKQ-LLVKDONJSA-N	402.838	3.665	10	20	HHCD	
Fc1cc(CN[C@@H]2CCCc3cccnc32)ccc1N1CCN(c2ncccn2)CC1	798926220	IMXWNTWWXZIKNU-OAQYLSRUSA-N	418.520	3.505	10	20	HHCD	
CC[C@@H](NCc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccc(F)cc1O	796725986	FTRXVHRNRXQPQD-MRXNPFEDSA-N	400.541	3.864	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(N2CCOCC2)cc1Cl	797038214	CGCSGBDXLDSGPG-ZWKOTPCHSA-N	420.985	3.507	10	20	HHCD	
C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCO2	794357121	NAKZHKICZYIXOR-GOEBONIOSA-N	418.440	3.905	10	20	HHCD	
CCc1c(NC(=O)NCCc2ccc(O)c(O)c2)cnn1-c1ccc(Cl)cc1	792489688	XRJNIDOUURXQKG-UHFFFAOYSA-N	400.866	3.864	10	20	HHCD	
CC(C)[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1	797943323	PPTUYEHVFWCQPD-TZIWHRDSSA-N	401.938	3.961	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@H](c4ccc(Cl)s4)C3)cc2F)CC1	1324745959	ICSONPYLTABYPJ-SFHVURJKSA-N	409.958	3.866	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cc2F)CC1	1324716532	MPXKYSFXEAGTTP-LJQANCHMSA-N	407.537	3.833	10	20	HHCD	
CCn1cc(-c2n[nH]cc2C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cn1	1338425989	ZRMVWJIOBHOPJT-UHFFFAOYSA-N	404.499	3.928	10	20	HHCD	
COC(=O)c1sccc1NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	11193258	ZWKPIFXVGYOICQ-UHFFFAOYSA-N	401.532	3.596	10	20	HHCD	
O=c1cc(CN(Cc2cccs2)c2ccc3c(c2)OCCO3)nc2ccccn12	57642861	AESUPTNHXZIOPS-UHFFFAOYSA-N	405.479	3.734	10	20	HHCD	
CSc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1	303439590	HHCAYRSBCRNGOL-UHFFFAOYSA-N	400.422	3.787	10	20	HHCD	
O=C(Nc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1)c1cccs1	522827777	YXRKCPOZFCCXGA-UHFFFAOYSA-N	416.509	3.806	10	20	HHCD	
O=[N+]([O-])c1ccc(O)c(CNCc2ccc(I)c(Cl)c2)c1	800293975	QMANYBZQEGSPIH-UHFFFAOYSA-N	418.618	3.848	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN(C(=O)c2ccccc2)C1	807836587	GSDLWJNCGQDSTH-CQSZACIVSA-N	407.297	3.868	10	20	HHCD	
CC[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1cccc(Cl)c1O	806134480	ZBWZYAVRPSPKDK-NRFANRHFSA-N	404.938	3.998	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2F)C2CCCC2)cc1F	803663712	XTNPRFSXKRSUKX-OAQYLSRUSA-N	415.484	3.695	10	20	HHCD	
CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800049157	GMRUWVWXISGWRQ-UZLBHIALSA-N	405.970	3.984	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2cccc(Br)c2)c(C)n1-c1ccccn1	800584930	JWOQJLAAJHKBPT-SFHVURJKSA-N	414.303	3.715	10	20	HHCD	
Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809594216	TZHKYLQNMVJZKX-ZCYQVOJMSA-N	416.569	3.928	10	20	HHCD	
CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	803660895	IMFBGBPOOXGZPT-UHFFFAOYSA-N	423.891	3.739	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc(Br)cc2C(C)=O)c1	802782316	SAHKUVMARUPNFX-LLVKDONJSA-N	422.275	3.622	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCOC(C)(C)C1	812010058	UCCCHGGSACDBEM-ZIFCJYIRSA-N	421.557	3.928	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCN([C@@H]2CCSC2)CC1	816825898	QCVZTBVZQYUMEH-JOCHJYFZSA-N	401.620	3.853	10	20	HHCD	
COc1ccc(N2CCC(NCCc3ccc(OCCN4CCCC4)cc3)CC2)cc1	812842652	OPSHXZAUIVUPTE-UHFFFAOYSA-N	423.601	3.971	10	20	HHCD	
CCOC(=O)CN1C(=O)C(F)(F)c2cc(NCc3ccc(N(C)C)c(F)c3)ccc21	815142897	FBZVTYCIWQZCMX-UHFFFAOYSA-N	421.419	3.505	10	20	HHCD	
CCOc1ccc(OCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726566462	OMULABVDEJDCAY-UHFFFAOYSA-N	420.456	3.851	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1	729050124	WKUOQZAYNHBMGU-GJZGRUSLSA-N	407.511	3.551	10	20	HHCD	
COC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	820267761	HHXRSNQQSFDMKD-QFIPXVFZSA-N	405.498	3.620	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCOc3ccccc3Cl)cc2F)CC1	730194607	QRVSZUCCNPKXIE-UHFFFAOYSA-N	419.928	3.706	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1CCN(Cc2cccs2)CC1	734525745	ZUUSRHPWGQRQOT-UHFFFAOYSA-N	400.592	3.834	10	20	HHCD	
COc1ccc(CN(C)C(=O)CN(Cc2ccccc2O)C2CCCC2)cc1F	732204916	GHUMRUUEOJROAI-UHFFFAOYSA-N	400.494	3.943	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(CN2C(=O)CSC2=O)cc1	730381430	JGXSDMBISDLMHS-UHFFFAOYSA-N	424.526	3.804	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2nnc3ccccc3c2O)cc1	732269938	XHMYDRBBYQUHIF-UHFFFAOYSA-N	402.454	3.837	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)c2C)cc1	918697619	WEUCPQLKLCBIIS-INIZCTEOSA-N	409.452	3.717	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(OCCOC)nc1	743098073	NBKRQBMIRPTDCJ-UHFFFAOYSA-N	424.295	3.629	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccccc1OC(F)F	918310582	MJMHPWLPLUKBFW-UHFFFAOYSA-N	417.456	3.875	10	20	HHCD	
Cc1ccc(-c2noc(CCC(=O)NCc3ccc4c(c3)CCCN4C)n2)cc1F	746814863	ZDSWISNQUBSHKH-UHFFFAOYSA-N	408.477	3.816	10	20	HHCD	
CC[C@@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)Oc1ccccc1F	748969270	LXOOTJQJQOCKBF-IBGZPJMESA-N	415.509	3.960	10	20	HHCD	
Cc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)c(C)n1-c1cccc(Cl)c1	919983491	XIOSISUSBDIEOX-UHFFFAOYSA-N	415.965	3.932	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(Cl)c2N(C)C)C2CC2)cc1	918455848	FMCAMJXWVQTCGG-UHFFFAOYSA-N	414.937	3.602	10	20	HHCD	
COc1cc(C2(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CCC2)ccc1C	749564476	ZUBXKMVZEMBAJM-UHFFFAOYSA-N	408.542	3.921	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC[C@@H]1c1ncc[nH]1	745902920	BDSSBADDVUGUSA-CRAIPNDOSA-N	419.476	3.917	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)cc1F	753739320	XFYSWJOURVWWMA-UHFFFAOYSA-N	400.347	3.955	10	20	HHCD	
C[C@@H](NC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	754847495	LJOPLUCECJVGJA-VFNWGFHPSA-N	422.447	3.627	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1C	751356797	UPCZLBBATWDATP-UHFFFAOYSA-N	403.500	3.621	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3cc(Br)cc(F)c3O)cn2)CCO1	756430474	IOUWDFFPEYVJSG-QWHCGFSZSA-N	424.314	3.765	10	20	HHCD	
C[C@H]1C[C@H](NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c2c(O)ccc(F)c21	756689151	SALBEPFZPATHSX-KXBFYZLASA-N	418.534	3.770	10	20	HHCD	
CC[C@H](C)NC(=O)CCN[C@H](C)c1cc(Br)cc(Br)c1O	756458619	XUFTVDHZAXURTP-VHSXEESVSA-N	422.161	3.873	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3c(C)nn(C(C)(C)C)c3C)CC2)cc1	755997044	CSTRRSOYTWQCIH-UHFFFAOYSA-N	413.610	3.565	10	20	HHCD	
COc1ccccc1N1CC[C@H](N[C@H](C)c2cc(Br)c(F)cc2O)C1=O	756741084	BPZURTDOPUHMAH-ABAIWWIYSA-N	423.282	3.759	10	20	HHCD	
COc1ccccc1C1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCCC1	920056446	QXRQWCRKTDUWFE-UHFFFAOYSA-N	423.557	3.843	10	20	HHCD	
Cc1c(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cccc1-c1ccccn1	755134686	LZDIJWXBNZBMTC-UHFFFAOYSA-N	421.522	3.544	10	20	HHCD	
CCn1cnnc1-c1ccccc1NC(=O)NCc1ccc(N2CCSCC2)cc1	750598923	YWCQHYKSGRTKTA-UHFFFAOYSA-N	422.558	3.840	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(N[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1	756511030	KYQIKIAVSBHNLD-BEFAXECRSA-N	412.505	3.912	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)NCc1ccccc1)c1ccccc1	759595392	RBCNNHLJYXLPJV-KHMHUBCMSA-N	403.434	3.712	10	20	HHCD	
C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Br)cc1O	756798338	YKHSOGQNQISITF-LBPRGKRZSA-N	411.321	3.868	10	20	HHCD	
CCC[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccnc1	756447642	XFZCNKVOMSOMFX-QFIPXVFZSA-N	420.536	3.968	10	20	HHCD	
C[C@@]1(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO[C@H]1C1CC1	753154664	QASUGXOYHOBCFV-GHTZIAJQSA-N	409.477	3.514	10	20	HHCD	
COc1cc(O)c(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1OC	768533101	GMRDLNCGFVMDEN-UHFFFAOYSA-N	408.502	3.930	10	20	HHCD	
C[C@@H](NCc1ccc(OCCCN(C)C)cc1)c1ccc(N2CCOCC2)c(F)c1	765709495	UNCMHNNMFJLSCS-LJQANCHMSA-N	415.553	3.844	10	20	HHCD	
C[C@H](OC(=O)c1ccoc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	768953238	VEXHQHGVUCDPMB-NSHDSACASA-N	423.808	3.892	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cn1C	760603314	UYYKOIHYDPBJPH-UHFFFAOYSA-N	419.528	3.743	10	20	HHCD	
COC(=O)CCc1csc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1	769012145	HPWWDEPMXBVRTC-UHFFFAOYSA-N	402.520	3.511	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc2NC1=O	776155411	DIFHTVDGSFBVST-MDOVXXIYSA-N	410.518	3.984	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)cc1	770501490	NEFNWCNFRINPNL-UHFFFAOYSA-N	417.575	3.938	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@H](c3ccc4nc(O)oc4c3)C(C)C)CC2)cc1	774399007	NTSJSUVICPHLIF-QHCPKHFHSA-N	424.545	3.651	10	20	HHCD	
C[C@H](NC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	773009677	PUFGHGDFRBGINL-MAUKXSAKSA-N	407.580	3.672	10	20	HHCD	
CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n(C)c1	779334794	MZWNDRHZUUHQNW-UHFFFAOYSA-N	411.487	3.943	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3c3noc(C(C)C)n3)c2C)cc1	779692685	COAXVWAEPGCUJM-FQEVSTJZSA-N	424.501	3.823	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)c(C)c(C)c1O	775292390	ZINVETIYUFHVFB-UHFFFAOYSA-N	412.305	3.816	10	20	HHCD	
CCc1cnccc1[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	773506594	QQRTUSIEYMAHFY-ZACQAIPSSA-N	414.525	3.957	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CNCCc2ccc(OCC(F)(F)F)nc2)c1O	775363140	KNQIZOLQXQMLGM-UHFFFAOYSA-N	405.760	3.622	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(C(=O)NC2CCCCC2)CC1)c1ccc(N(C)C)cc1	773623305	GZWWAKSEMWLKGP-QGZVFWFLSA-N	400.567	3.684	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O	780575863	GGSBVRQWYFNJDX-IAQYHMDHSA-N	412.246	3.737	10	20	HHCD	
Cc1ccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c(O)c1O	780883233	RJPSGAKNRAIZPF-UHFFFAOYSA-N	401.260	3.849	10	20	HHCD	
O=C(OCc1ccccc1)[C@@H](CNCc1cc2c(cc1O)OCO2)c1ccccc1	786827745	MXSMVBBJYFOCNI-FQEVSTJZSA-N	405.450	3.738	10	20	HHCD	
CCOC(CCNCc1cc(Br)cc(Br)c1O)OCC	787433537	INIJRWUQWWRGQH-UHFFFAOYSA-N	411.134	3.796	10	20	HHCD	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788909804	HRMPQMJTDZTFRO-UHFFFAOYSA-N	419.447	3.580	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(NC(=O)OC(C)(C)C)CCCCC1	789649762	AEHJPCVMRATXHK-UHFFFAOYSA-N	403.523	3.706	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2)C2CCCCC2)cc1	784060387	YPVMFHDRHDOYOL-UHFFFAOYSA-N	403.486	3.759	10	20	HHCD	
CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1	794015438	FHHNTGCKWMLDTD-UHFFFAOYSA-N	422.484	3.527	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N(C)C)cc1	799975214	KTQOLJRBMSGGES-AVRDEDQJSA-N	404.514	3.716	10	20	HHCD	
COc1cc(C)c(Br)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	797645826	UWWPOPITRJOHMR-NSHDSACASA-N	409.280	3.930	10	20	HHCD	
CCC[C@@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)c1ccccc1	792067231	URVYUOCAJSGIBK-PKTZIBPZSA-N	411.546	3.866	10	20	HHCD	
CCOc1ccc(NCc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCCC1	796403963	JHISZRYBBNWHMR-UHFFFAOYSA-N	417.575	3.938	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cc(C)ccc2OCc2ccccc2)c(O)c1	799836209	BKRJTPZERMMWRG-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
COC(=O)c1cccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1OC(C)C	799246631	MXSXIPXKFPUYOI-ZDUSSCGKSA-N	402.447	3.857	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)c1	1322659711	FCAOAKKAHOBCSF-QGZVFWFLSA-N	408.951	3.787	10	20	HHCD	
Cc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2C)cc1	19138258	BQEVSIKJDAUFLN-UHFFFAOYSA-N	409.559	3.607	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C3CCCC3)CC2)c(C)n1-c1ccc2c(c1)OCCO2	105900523	QFHAJTVUSJHBRJ-UHFFFAOYSA-N	423.557	3.608	10	20	HHCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	109351922	NCJLFGAFITXTKV-GXTWGEPZSA-N	420.351	3.890	10	20	HHCD	
C[C@@H](Nc1ccc(C(=O)Nc2ccccc2)nn1)c1ccc(N2CCOCC2)cc1	301318039	BXHKJGYSKFCAHS-QGZVFWFLSA-N	403.486	3.739	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C(=O)OC)c3ccccc3)ccc21	461414655	UNQNWQMPGAPKHI-OAQYLSRUSA-N	408.498	3.591	10	20	HHCD	
CSc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	806782382	YHSDWZGJDADRNO-OKILXGFUSA-N	404.511	3.878	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2C(=O)OCC2(C)C)c(C)n1-c1cccc(Br)c1	808102950	LKQIEJFEYMFZCV-MRXNPFEDSA-N	405.292	3.538	10	20	HHCD	
C[C@](O)(CCc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	801148352	WGSINDICZKXERO-QHCPKHFHSA-N	418.484	3.757	10	20	HHCD	
CC[C@H](c1ccccc1)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C	800726964	UFFBMHVAWKVCFN-JOCHJYFZSA-N	405.546	3.830	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(N(C)C)cc1	803843903	YNWVDFXNAXTWFE-ACJLOTCBSA-N	417.962	3.937	10	20	HHCD	
COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])cc1OC	807838907	CGKIBFXNYUNARP-UHFFFAOYSA-N	401.202	3.554	10	20	HHCD	
Cc1cc([C@@H](C)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)nn1C	800488133	OMSXWXKLKIGRHK-UZLBHIALSA-N	401.555	3.711	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)nn1-c1ccccc1	802610727	NRAYUGAKLWKQML-UHFFFAOYSA-N	406.486	3.654	10	20	HHCD	
CCCN(CCN1CCCCC1)C(=O)NCc1ccc(N2CCSCC2)cc1	806438966	WZGCTRLCFNZOHD-UHFFFAOYSA-N	404.624	3.647	10	20	HHCD	
CCOC1(C)CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1	813608446	BKDQBYPUCOCISO-UHFFFAOYSA-N	418.244	3.670	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1OCCc2sccc21	815655455	SIAXJEIOMQYWFI-OPAMFIHVSA-N	414.571	3.523	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@@H](C3OCCO3)C2)c(C)n1-c1ccc(Cl)cc1	728076318	CQPJTFDTLMHOMM-QGZVFWFLSA-N	402.922	3.902	10	20	HHCD	
C[C@H](NC(=O)NCCCCN(C)c1ccccc1)c1ccc(N2CCOCC2)cc1	726238503	XPAZFVPOPOTIPA-FQEVSTJZSA-N	410.562	3.800	10	20	HHCD	
COc1ccc([C@H]2CCN(C(=O)NC3CCN(c4ccc(OC)cc4)CC3)C2)cc1	726714151	UAYZHCQMZQXXFY-IBGZPJMESA-N	409.530	3.872	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCCN(C(=O)C2CCC2)C2CC2)C2CC2)cc1	731404549	IIKKTDOODAALSA-UHFFFAOYSA-N	412.578	3.608	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc(F)c(S(=O)(=O)N(C)C)c3)c2)CC1	739598909	OKVPOKLILPKCBR-UHFFFAOYSA-N	419.522	3.565	10	20	HHCD	
CC[C@H](Cc1ccccc1)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	732729837	IXDYBPBZWNMHTH-JOCHJYFZSA-N	409.574	3.592	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(Cc3cscn3)CC2)cc1F	731364892	RPKIXQJMZWTEIP-UHFFFAOYSA-N	419.570	3.546	10	20	HHCD	
CC(C)N(C)c1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	731754751	CQTBYDOXNMANEU-UHFFFAOYSA-N	414.525	3.953	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[C@H]3C(=O)N3CCCC3)cc2)CC1	732767211	VYDKUWVKYYZFOO-DHIUTWEWSA-N	411.590	3.968	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c(C)n1-c1ccccn1	914903522	MZPGAGOBTRTZBI-KRWDZBQOSA-N	409.461	3.532	10	20	HHCD	
CCc1c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cnn1Cc1ccccc1	917822329	VIVWUJMFPJWYPV-UHFFFAOYSA-N	418.541	3.855	10	20	HHCD	
CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1	747089934	HHAUTRRLIMNTKZ-HSZRJFAPSA-N	414.477	3.526	10	20	HHCD	
Cc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1	919725023	KEQZZLIRLCELJN-UHFFFAOYSA-N	409.349	3.836	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)n2)cc1C	917844967	LFYHEODDPMBVJW-UHFFFAOYSA-N	400.481	3.898	10	20	HHCD	
COc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c([N+](=O)[O-])cc1OC(F)F	743717343	AVJMNNLSMAPSSW-UHFFFAOYSA-N	422.384	3.719	10	20	HHCD	
O=C(NCCCN1CCCCCC1=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915727030	HOVWDZDAPAGTNP-UHFFFAOYSA-N	421.501	3.949	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccc(C(F)(F)F)cc1	918201296	GFIBRNFWOMWIJB-UHFFFAOYSA-N	421.463	3.914	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)Cc1cccc(O)c1	748815919	ALFAHULUOFGMQN-HNNXBMFYSA-N	414.461	3.627	10	20	HHCD	
COc1ccncc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	748209022	SSAOACCXWIHCPL-XNTDXEJSSA-N	419.553	3.772	10	20	HHCD	
CC(=O)N[C@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(C)cc1	751302312	MJKXGUSYOLRRBH-HXUWFJFHSA-N	413.481	3.911	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1	753643372	JJEVEDRJKITWEJ-YPMLDQLKSA-N	409.269	3.645	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	920869459	YJMCGDROIMBNKI-GOSISDBHSA-N	424.545	3.888	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1c(SC(F)F)nc2ccccc21	753636188	KOBDXNHGZIGAFZ-LLVKDONJSA-N	407.442	3.510	10	20	HHCD	
CCc1cc(N2CCC[C@H](N[C@@H](C)c3ccc(Br)cc3O)C2)ncn1	756713023	UMVDIHJEYJPCSU-BBRMVZONSA-N	405.340	3.827	10	20	HHCD	
CCS(=O)(=O)N1CCC(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)CC1	757702544	DBLLHDNFGGCKTN-LJQANCHMSA-N	407.624	3.779	10	20	HHCD	
CC(=O)c1cc(CN(C)C/C(C)=C\c2ccccc2)c(O)c(CN2CCOCC2)c1	754862950	ORGMXROPOSXHNC-UYRXBGFRSA-N	408.542	3.962	10	20	HHCD	
COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1	753918028	CCRFKJJFTJJXMU-UHFFFAOYSA-N	404.878	3.705	10	20	HHCD	
CC(C)c1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(O)n1	857455528	DDFABADTBLNKPR-OAHLLOKOSA-N	405.445	3.911	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cccc(COC)c1	751467044	KULAWCACYSVWPZ-UHFFFAOYSA-N	414.321	3.512	10	20	HHCD	
Oc1c(Br)cccc1CNc1nnc([C@H]2COc3ccccc3O2)o1	758451108	XPECRRVDSHSMCY-CQSZACIVSA-N	404.220	3.662	10	20	HHCD	
C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1O	756572880	JPRPUOVVRFIEFP-ZIAGYGMSSA-N	403.454	3.812	10	20	HHCD	
CCCN(Cc1cc(OC)c(OC)cc1O)C1CCN(C(=O)c2ccccc2)CC1	768444025	LNFMUMOTWJCOOG-UHFFFAOYSA-N	412.530	3.926	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3c(Cl)cc(F)cc3Cl)cc2)C1	761600954	PPHLEZHMAFFVOS-ZDUSSCGKSA-N	424.303	3.764	10	20	HHCD	
COc1ccc(C[C@H](C)CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1F	769542318	ZKGWVXXKMRBQHX-FXAWDEMLSA-N	413.537	3.504	10	20	HHCD	
C[C@]1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO[C@@H]1C1CC1	767953497	NWEUVDJOGFKMRU-DKZVUGQWSA-N	423.504	3.761	10	20	HHCD	
Cc1ccc(C(=O)NCCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1F	764858344	RRWJIBKNCLXWFP-INIZCTEOSA-N	419.928	3.705	10	20	HHCD	
CCN(CC)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1F	777642925	GIIKSVCWQVOKST-FQEVSTJZSA-N	408.477	3.816	10	20	HHCD	
Cc1cc(C)cc(OCc2noc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)c1	775259807	LLEVTFKDTXKKKB-IBGZPJMESA-N	422.529	3.953	10	20	HHCD	
CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nc(-c2ccc(C)s2)cs1	778662317	YLXZVFYCMRUNBF-UHFFFAOYSA-N	412.514	3.923	10	20	HHCD	
O=C(NCc1ccc(Br)o1)N(Cc1ccccc1O)C[C@@H]1CCCO1	1116702299	JYGHWKZGSHHVLC-HNNXBMFYSA-N	409.280	3.639	10	20	HHCD	
Cc1ccc(C(=O)N2CCN(Cc3cc(Br)cc(C)c3O)CC2)s1	775663557	NKBSGYUSHJVLRT-UHFFFAOYSA-N	409.349	3.791	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1ccc(Cl)cc1	774654065	OHYGTXZHKKACGA-UHFFFAOYSA-N	401.938	3.502	10	20	HHCD	
CC(C)(C)OC(=O)NC1CCC(NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	779023524	SUMGUVJUFPIZAZ-UHFFFAOYSA-N	421.557	3.712	10	20	HHCD	
CS(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1C(F)F	776035737	MJPZJGVNWOPRRF-UHFFFAOYSA-N	421.469	3.726	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(CC(C)(C)C)cs1	789370738	TVORDQNOSGWAMN-UHFFFAOYSA-N	402.564	3.785	10	20	HHCD	
C[C@H](CN(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nccs1	784577442	ZXSVFNOLWFSMHP-CQSZACIVSA-N	419.506	3.593	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCOCC2(CCOCC2)C1	784043522	NOLLBBRDDRIQJF-UHFFFAOYSA-N	406.320	3.937	10	20	HHCD	
CCOC(=O)c1scnc1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O	794933110	GMEJMCPOQOAKCB-ZROIWOOFSA-N	419.553	3.792	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(F)cc1F	790411180	GOPANCWHNXVEER-UHFFFAOYSA-N	408.220	3.632	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl	797613009	OUZJFVVYMJJPCI-GFCCVEGCSA-N	403.866	3.631	10	20	HHCD	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)C1	798367055	SDAOVMUGWHMIAF-YCZSINBZSA-N	417.619	3.711	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NOCc1ccccc1OC	798537406	KDGBJYAEHNCIOZ-UHFFFAOYSA-N	409.280	3.827	10	20	HHCD	
COc1cccc2cc(CN3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)oc12	1320770916	ISQCRHNSMXNCBQ-UHFFFAOYSA-N	400.818	3.765	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1O	1320899492	MCXZABUXGHATRB-SFHVURJKSA-N	408.458	3.721	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1ccc(Cl)cc1	1348064249	PGNFRUGAYPSQSQ-QGZVFWFLSA-N	401.938	3.617	10	20	HHCD	
C/C=C(/C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821294879	VDLIIFLDAOTWFJ-JQVZVZTNSA-N	418.881	3.746	10	20	HHCD	
Cc1cc(C(=O)NCCCC(=O)NC2CC2)c(C)n1-c1ccccc1Br	195584290	MOMPGEVDQCHGJX-UHFFFAOYSA-N	418.335	3.645	10	20	HHCD	
C[C@H](Oc1cccc(Br)c1)C(=O)N1CCOc2cc(N(C)C)ccc21	437023674	YAEGYJHLEOLJDW-ZDUSSCGKSA-N	405.292	3.708	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3ccc([S@@](C)=O)cc3)ccc21	488103716	SDBYTHSVKZXPTO-GDLZYMKVSA-N	412.555	3.914	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)ccc21	591806394	VGEGJSQBTZJBPZ-UHFFFAOYSA-N	421.476	3.759	10	20	HHCD	
CN(CCCNC(=S)Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccccc1	726461526	UVPMMJCQWACAAP-UHFFFAOYSA-N	410.543	3.543	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c(Cl)nc2ccccn12	726566746	CQPZHNGUUXRTGN-UHFFFAOYSA-N	420.847	3.988	10	20	HHCD	
O=C(NCCOC1CCCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726709684	WZOQPAUSNAOEPC-UHFFFAOYSA-N	411.493	3.905	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(CCNCc2ccc(N3CCOCC3)cc2)CC1	727469545	WBCGUAXBQVRHLT-UHFFFAOYSA-N	403.567	3.650	10	20	HHCD	
COCCCOc1cccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c1	727864199	UFEWPFWKVWRJLE-RGEXLXHISA-N	414.552	3.941	10	20	HHCD	
COc1ccc(-c2noc(CCCC(=O)N[C@@H](C)c3cc(OC)ccc3O)n2)cc1	728977869	GGZJEOIEKVWFIT-AWEZNQCLSA-N	411.458	3.660	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c1	729037736	OMZCGXRBIVEKGJ-NSHDSACASA-N	411.380	3.576	10	20	HHCD	
Cc1cc(C(=O)NCc2nnnn2-c2ccccc2)c(C)n1-c1cccc(Cl)c1	730537348	PQTKWUODIQBUOI-UHFFFAOYSA-N	406.877	3.653	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1C	731298281	FAVFEFPMYVHQJG-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(Cc3ccccc3O)C3CCCC3)n21	731846151	VVWVEKJUXWNDQC-UHFFFAOYSA-N	417.513	3.540	10	20	HHCD	
COc1cccc([C@H](O)C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c1	731910936	MDSMHCBMOUUMQQ-QFIPXVFZSA-N	411.429	3.701	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCc3n[nH]cc3C2)c(C)n1-c1ccc(Br)cc1	733984878	ORFDSYNNLBJFIJ-INIZCTEOSA-N	413.319	3.867	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	740907964	RKULJOZDPIDHKS-QHCPKHFHSA-N	405.498	3.785	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1	740920100	SCDPYJASNQXTFH-NRFANRHFSA-N	404.558	3.869	10	20	HHCD	
Fc1cc(CNc2nccc3occc23)ccc1N1CCN(c2ncccn2)CC1	742396018	GALNIBAZLBOTQE-UHFFFAOYSA-N	404.449	3.696	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CSC(F)(F)F)NC(=O)OC(C)(C)C)cc1	742749114	CQQYLWLUZDJMEE-AWEZNQCLSA-N	421.485	3.688	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c(C)n1-c1ccccn1	742883006	ZBQUDGICGYBOOK-SFHVURJKSA-N	412.534	3.961	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1	745882825	PTUBKNRHEUBFCN-XMSQKQJNSA-N	408.546	3.868	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC[C@H]1c1ncc[nH]1	745902922	BDSSBADDVUGUSA-QAPCUYQASA-N	419.476	3.917	10	20	HHCD	
CC(C)CCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCC1	746949972	BYSKIIXRQSCGEY-HXUWFJFHSA-N	414.594	3.889	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3O)c2)c1	748353049	KLTWSCFSWRSYLY-UHFFFAOYSA-N	410.495	3.740	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ncn(C)c3Cl)n2)c(F)cc1F	749012123	YJFNJXXHPGULCP-UHFFFAOYSA-N	404.851	3.584	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCN1C1CCCC1	749224956	YOALQWXBXKFRDJ-FQEVSTJZSA-N	407.505	3.780	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1c[nH]nc1-c1ccc2c(c1)OCO2	751680494	ULLIBSSVAKPTTP-UHFFFAOYSA-N	404.470	3.726	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC[C@@H](C)N3CCCCC3)cc2F)C[C@@H](C)O1	753108954	OUVQLICOYKMYNU-QRVBRYPASA-N	420.573	3.503	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c[nH]1	753136236	CXSQBSDKMDLZHF-CIKBWMHTSA-N	400.481	3.526	10	20	HHCD	
Cc1cc(C)nc(N2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)n1	753570507	OGNWRMHBJHKJQG-UHFFFAOYSA-N	404.514	3.700	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	753736313	UYQMSNPZCQAKRL-URXFXBBRSA-N	423.557	3.833	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1O	756457853	GZFHNOMJQRQHJM-MNOVXSKESA-N	400.258	3.518	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1cccc(N2CCOC2=O)c1	759570433	OBXAUQTZSQZGCZ-ZDUSSCGKSA-N	406.533	3.642	10	20	HHCD	
C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[C@@H]1NC(=O)OC(C)(C)C	759603057	PUHPDKURZCPNLL-KGLIPLIRSA-N	414.597	3.570	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cccc4[nH]ccc34)CC2)cc(OC)c1OC	759963802	URMVOFFUOAJYEB-UHFFFAOYSA-N	410.474	3.548	10	20	HHCD	
CC[C@H](C)n1ncc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1C1CC1	760625655	HOEBFSZNDQTXNF-INIZCTEOSA-N	412.534	3.613	10	20	HHCD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761983506	SNTKILLHBOQFMG-AYPBNUJASA-N	416.949	3.681	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3cccc(NC(=O)NC4CC4)c3)c2)CC1	767930749	ICDVXFNHMPRUBX-UHFFFAOYSA-N	421.545	3.753	10	20	HHCD	
CCO[C@H](C)c1noc(CN(C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1	769503196	TWIIZDCMPHXBFF-OAHLLOKOSA-N	403.483	3.698	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1	769539695	TZMUKFQKJOLNAQ-SFHVURJKSA-N	420.893	3.936	10	20	HHCD	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769669294	WHFXOVFKBOENLT-SNVBAGLBSA-N	417.314	3.904	10	20	HHCD	
CC1(C)[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1OCc1ccccc1	770349914	ILFJHYAMNWKSGY-GOTSBHOMSA-N	423.557	3.706	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(C)(C)S(=O)(=O)CC3)c2C)cc1F	773959348	XBSFWKWMURNNCG-UHFFFAOYSA-N	420.550	3.623	10	20	HHCD	
C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	774818003	APGQGVJYLYRKLB-KRWDZBQOSA-N	421.520	3.860	10	20	HHCD	
CN1CCC[C@@H]2CN(Cc3cc(Br)cc(Br)c3O)CC[C@H]21	775741802	QRDWIFANZNTKBI-IAQYHMDHSA-N	418.173	3.833	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1cnn(CC(F)F)c1	777666232	WCADOTUJRMVKDK-UHFFFAOYSA-N	410.880	3.787	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1	778620933	TYTGSMNMBYXBEI-PKOBYXMFSA-N	418.582	3.978	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c1	779480095	NJLOGBQKOBMNKD-UHFFFAOYSA-N	404.829	3.760	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1	779498257	CMOZXJLSBBNLHK-UUILKARUSA-N	406.413	3.819	10	20	HHCD	
COc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	780607734	GREBLBIVJWZHIM-NSHDSACASA-N	409.280	3.930	10	20	HHCD	
COc1cc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)ccc1OCc1ccncc1	780895313	YTLWZJDDWZUFBN-OAHLLOKOSA-N	408.454	3.880	10	20	HHCD	
C[C@@H]1C(=O)CC[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1(C)C	780935436	LQQGWGNCNAQVGJ-FHLIZLRMSA-N	406.954	3.768	10	20	HHCD	
COCCO[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1	781699220	GTKVLQWBVQAEGH-SFHVURJKSA-N	421.335	3.734	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)C2CCCCC2)cc1	784061700	SNPJHVKOOLDVDC-UHFFFAOYSA-N	417.513	3.818	10	20	HHCD	
Cc1ccn(-c2ccccc2NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)n1	784112138	MXFWETCXJXUTIC-UHFFFAOYSA-N	417.513	3.925	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)cc1	790986459	RIANPRLAIYHMLY-HNNXBMFYSA-N	416.543	3.625	10	20	HHCD	
COc1ccc(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)c(O)c1	794376121	ANBUYDPCEPJUPS-UHFFFAOYSA-N	408.792	3.503	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(Br)c(C)cc3OC)CC2)cc1	794764368	UDFFRLWLQIHAPL-UHFFFAOYSA-N	419.319	3.737	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	795397545	WOISRXOFXLDINE-UHFFFAOYSA-N	405.546	3.939	10	20	HHCD	
CN(CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C(=O)OC(C)(C)C	795853739	CUDTWPBBQDOOCL-FQEVSTJZSA-N	419.566	3.517	10	20	HHCD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	800865306	IVMGCGIPJTWZNJ-KRWDZBQOSA-N	408.477	3.647	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)C[C@@H]2CCCOC2)c(C)n1-c1cccc(C(C)C)c1	803005519	MKJDWAKUSALWBV-GOSISDBHSA-N	418.559	3.704	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1	803168627	YVCMULZSRKEZKY-UHFFFAOYSA-N	422.356	3.767	10	20	HHCD	
Cc1ccccc1O[C@H](C)CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	807636532	XTEIGWJGWFCMLN-HXUWFJFHSA-N	423.557	3.527	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(Cc2ccccc2)CC1	807668689	DWPIHGCVOJPIHW-UHFFFAOYSA-N	407.558	3.629	10	20	HHCD	
Cc1cccc([C@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccn2)c1	807670319	CXYWVARTWWRCGB-MBSDFSHPSA-N	416.525	3.539	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cncc(C(F)(F)F)c2)cc1	809580410	NSYAVXFQHQMREF-IBGZPJMESA-N	407.436	3.988	10	20	HHCD	
COc1cc(N2CCN(C/C=C/c3ccc(F)c(F)c3)CC2)cc(OC)c1OC	809639281	JYTZEOIEJVLUMD-SNAWJCMRSA-N	404.457	3.826	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(-c2ccncc2)c(C)c1	815499564	GKJCXRODUITOBN-UHFFFAOYSA-N	402.498	3.686	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OC)c1	914533743	UHKVLVQRHUKSGD-QHCPKHFHSA-N	412.578	3.986	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c(C)n1-c1ccccn1	914848594	IMPKFSKVOHDOBK-HXUWFJFHSA-N	404.470	3.859	10	20	HHCD	
Cc1cc(CCNC(=O)NCc2cccnc2-n2cccn2)c(C)n1-c1ccccc1	916221016	KVKVFSNNVRGXNK-UHFFFAOYSA-N	414.513	3.717	10	20	HHCD	
COc1ccc(N2CCCN(Cn3ncn(-c4ccccc4F)c3=S)CC2)cc1	917487415	LMPQVOPOKXEALR-UHFFFAOYSA-N	413.522	3.721	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1	918303883	MPLUGRHXORHIQM-UHFFFAOYSA-N	409.408	3.638	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)s2)cc1	1351422587	ZNNNOYOMKQNQQW-UHFFFAOYSA-N	420.581	3.655	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(Oc4ccncc4)cc3)ccc21	51789331	QJURJEZQBFHDQW-UHFFFAOYSA-N	416.481	3.511	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(Cn4cncn4)c3)c2C)cc1	117738328	MBSOSJQNRRPDQE-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
CSC[C@H](C)C(=O)N1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	807836590	GSYGZVHTLQCAAU-NSHDSACASA-N	419.374	3.553	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	803659890	WGDRHGXCKZBELC-HUUCEWRRSA-N	419.928	3.812	10	20	HHCD	
Cc1ncc(-c2ccc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)cc2)o1	472810860	QGNBXJHHVMZBJY-UHFFFAOYSA-N	402.454	3.705	10	20	HHCD	
CC(=O)N[C@H](CC1CCC1)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800049292	HIHMITZWMUTDTM-FOIQADDNSA-N	405.970	3.887	10	20	HHCD	
COc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nc1Br	807839893	TYPAEIQSPVMLAG-UHFFFAOYSA-N	406.063	3.795	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3F)cc2Cl)C1	800636256	ICYBYSZHHROCTE-AWEZNQCLSA-N	403.885	3.970	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)c(Br)cc1F	807006824	UHLWNGGLPICIPY-UHFFFAOYSA-N	423.282	3.980	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1	802209748	MWIBEGDNAOTGRK-FSSWDIPSSA-N	421.541	3.861	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccn(CCc2ccncc2)n1	806301588	UWDKAPOOFRQBPJ-UHFFFAOYSA-N	406.273	3.855	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc2c1COC2=O)c1ccc(N)cc1	808938481	WOVVYRQZOJWZTD-HNNXBMFYSA-N	415.449	3.672	10	20	HHCD	
Cc1cc(C)n2nc(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)nc2n1	800048929	CSWNFFVCRDFIOI-ZDUSSCGKSA-N	412.925	3.561	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc4nccc(C)c4c3)CC2)cc(OC)c1OC	803105157	IYYCGSKXBXVDTD-UHFFFAOYSA-N	421.497	3.531	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccc(N(C)C)cc1	807677072	LDFOBBZWCKOICB-SFHVURJKSA-N	423.557	3.997	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1	807191245	DIRDEIZWFXHAJS-OFNKIYASSA-N	424.541	3.723	10	20	HHCD	
COC(=O)N1CCN(c2ccc(N[C@@H](C)c3cc4c(cc3O)CCCC4)cn2)CC1	815655357	PYHQOMSGSVWQHA-INIZCTEOSA-N	410.518	3.728	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)ccc21	482011663	CIKIDBDSIFDITF-IAGOWNOFSA-N	415.578	3.522	10	20	HHCD	
CCOCCCn1c([C@H](C)CC)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812198526	GPTMHRGXPOKANB-LJQANCHMSA-N	415.582	3.944	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3nc(-c4ccccc4)no3)ccc21	484867466	VFTGUPLWMYBVFR-UHFFFAOYSA-N	404.470	3.885	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@](C)(CC(=O)OC)c3ccncc3)ccc21	486591401	BZYUJGFHFAHBCJ-XMMPIXPASA-N	423.513	3.508	10	20	HHCD	
C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1=O	815155499	IWVMXMGOFGCSHR-WZONZLPQSA-N	411.521	3.504	10	20	HHCD	
COc1ccc([C@H](CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)N2CCCC2)cc1	729041419	RBEVQLJJFLOIFQ-KKSFZXQISA-N	413.518	3.607	10	20	HHCD	
CCCC(=O)Nc1cccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	726611868	UUNYRAKGCJTOSM-UHFFFAOYSA-N	424.545	3.902	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1	728308720	RXNVXCCCEXCCCL-QGZVFWFLSA-N	408.546	3.954	10	20	HHCD	
Cc1cc(CC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	733226875	FHBAZTABKBCFJW-GDBMZVCRSA-N	410.967	3.570	10	20	HHCD	
CCN(CC)C(=O)N1CCC(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	731015247	VIVWGFZWATXRPS-UHFFFAOYSA-N	414.594	3.713	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2c(Cl)nc3sccn23)cc1F	731356655	MPXHZJHFMBIGRF-UHFFFAOYSA-N	416.931	3.513	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)COc3ccc(Cl)c(C)c3)cc2F)CC1	730192943	SGNHCEILWIJCCQ-UHFFFAOYSA-N	419.928	3.625	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CCSCc3nc(O)c4ccccc4n3)ccc21	739712702	OUXNMMBXUFHJLX-UHFFFAOYSA-N	422.554	3.658	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H]3c3ccccc3OC)CC2)cc1	730063011	XXLWSZPTKVRLLQ-HSZRJFAPSA-N	423.557	3.580	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(-n4cccn4)c3)cc2F)C[C@@H](C)O1	735000814	HRJUELWTSDZQHA-CALCHBBNSA-N	408.477	3.555	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1	731281109	SPZBODROVJXXRV-FQEVSTJZSA-N	410.562	3.525	10	20	HHCD	
O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cc(O)cs1	732267138	VVKQPYXGCOSDGZ-UHFFFAOYSA-N	424.887	3.866	10	20	HHCD	
CC(C)CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	746038572	ASTFPAMLILJPKR-UHFFFAOYSA-N	409.530	3.967	10	20	HHCD	
CCCN(CC)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	749573758	ZTTMKAPCXXECPW-OAQYLSRUSA-N	422.573	3.555	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)C2CC2)cc1	918059696	HOEQYJKNYCYCGK-DEOSSOPVSA-N	422.573	3.500	10	20	HHCD	
C[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccco1	742748969	BQQBWHVEORIZMZ-MAUKXSAKSA-N	401.507	3.831	10	20	HHCD	
CCn1c(S)nc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)ccc2c1=O	918658652	QEBCCBGCKFGQRG-UHFFFAOYSA-N	424.570	3.822	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(OCCCN(C)C)CC3)c2C)cc1	748746600	HJVUUAYEUJQEJG-UHFFFAOYSA-N	413.562	3.676	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)cc3C)n2)cc1	917847618	UMXJSLATYZLILD-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
CCN(CC(=O)N[C@H]1CCOc2ccccc21)Cc1cc(Br)ccc1O	743871698	JDQLGOQVMTXESB-KRWDZBQOSA-N	419.319	3.617	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1-n1cccn1	742801459	ZNMQFQWCTOZVQE-MRXNPFEDSA-N	412.440	3.873	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccc(F)cc1	921089324	WAZIENLAIKUTII-SVMVAKDDSA-N	413.537	3.947	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](CCO)c2ccccc2Br)c1	757639468	PCBTURPZWGZBNF-YVEFUNNKSA-N	408.292	3.716	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N(CCS(C)(=O)=O)C2CC2)cc1	753745357	VDAJDBSNHVPJGH-UHFFFAOYSA-N	414.531	3.817	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C\c3ccc(Cl)cc3)CC2)cc(OC)c1OC	759220931	KMDJOYHIPBMPMM-TWGQIWQCSA-N	416.905	3.728	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1	754546051	PDRGKBGBEYYQNT-UHFFFAOYSA-N	414.619	3.645	10	20	HHCD	
CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC(C(C)(C)C)CC1	920090085	MOGMGUKURSSRFH-UHFFFAOYSA-N	419.585	3.815	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(Cc2ccccc2)no1	752900808	CAYSZKAEPMGWBC-INIZCTEOSA-N	405.502	3.603	10	20	HHCD	
CC(C)CO[C@H](C)c1noc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1	751946012	VPLCENGHHHSVAH-CYBMUJFWSA-N	416.503	3.790	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CC(=O)N(c2ccccc2F)C1	751305982	MQFMLCHJARYABJ-OAHLLOKOSA-N	415.428	3.527	10	20	HHCD	
Cc1c(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)oc2ccc(F)cc12	751136192	FNQSDSGOULFPIV-KRWDZBQOSA-N	419.474	3.956	10	20	HHCD	
CCCc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1	768401731	PUCTTYOEBUXAIT-LBPRGKRZSA-N	421.478	3.917	10	20	HHCD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)NCCc3ccc(O)c(O)c3)c12	762263237	CBVLJSGVQVECNT-UHFFFAOYSA-N	407.426	3.819	10	20	HHCD	
CCOC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(N2CCOCC2)cc1)C1CC1	769371887	URTKKVQOEZTRPM-XMMPIXPASA-N	408.542	3.662	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1	765659977	PWGLICCTFKGILR-MSOLQXFVSA-N	401.576	3.997	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1[N+](=O)[O-]	768911502	DRPAQOKHDCVGRY-QGZVFWFLSA-N	403.866	3.657	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4ccsc4C3)cc2F)C[C@@H](C)O1	760309207	XFUUJFWSGZZFDO-GASCZTMLSA-N	403.523	3.769	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C	773741777	YGYSOWCZJZEUQE-CCNLRDMRSA-N	418.534	3.713	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2C)cc1	777403297	BTKLELOUIBJSPF-UHFFFAOYSA-N	418.541	3.628	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1	779478506	JEMCGDHXYLXWRW-ZRDIBKRKSA-N	410.451	3.551	10	20	HHCD	
CCN(Cc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1)C(=O)C(F)(F)F	779515902	YDEWXCOLCIEGPB-CLFYSBASSA-N	408.376	3.661	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(C)noc2-c2ccccc2)cc1	773231354	CTCQNXQMFOUYKU-UHFFFAOYSA-N	406.486	3.751	10	20	HHCD	
C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(N2CCOCC2)cc1Cl	776844291	LBTPRAOWRMIGJB-OAHLLOKOSA-N	400.910	3.879	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1	775376446	WWQIKMJHJCFMCR-GOEBONIOSA-N	408.502	3.881	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(Br)cc(OC)c1O)c1ccc(C)c(C)c1	779179419	DOELYDSLQFDOFC-KRWDZBQOSA-N	408.292	3.784	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)c1ccc(N(C)C)cc1	774726671	VAQJBKNDXBOGEJ-CYBMUJFWSA-N	408.329	3.596	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	780620655	HKCYCVAWOMXCPM-AEFFLSMTSA-N	404.555	3.902	10	20	HHCD	
CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1	788909740	RSGMTCBCXMVMAQ-CDNPAEQRSA-N	411.546	3.642	10	20	HHCD	
CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@@H](C)C(F)(F)F	797354813	DMZIXGUNINNXPA-JTQLQIEISA-N	420.343	3.783	10	20	HHCD	
COC(=O)CCSc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	797638510	WPODDOBZYMDRJX-CYBMUJFWSA-N	404.488	3.506	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	792701887	GGBNXOGIZWLCDZ-UHFFFAOYSA-N	419.278	3.586	10	20	HHCD	
CCOc1ccc(NCc2c(O)cccc2OC)cc1S(=O)(=O)N1CCCCC1	796404151	MNBQVIYZCTWFDJ-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCc2ccc(F)cc21	792834312	GRRNRJCELZUQDR-HXUWFJFHSA-N	401.457	3.678	10	20	HHCD	
CN1CCN(c2ccc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)cc2F)CC1	1319160768	HRQYGEFBDVSSNJ-HSZRJFAPSA-N	420.488	3.937	10	20	HHCD	
CN1CCN(c2ccc(CNCCOc3ccc(C(F)(F)F)cc3)cc2F)CC1	1327191670	DIHKWBKOXHPEEZ-UHFFFAOYSA-N	411.443	3.765	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)cc2F)CC1	1326865748	IJYDOFMUQYSQIV-VQTJNVASSA-N	402.558	3.689	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]c(Br)c1	1323220872	BATSZFIEXMAAEX-GFCCVEGCSA-N	414.250	3.777	10	20	HHCD	
COc1cc2c(cc1NCC(=O)NC[C@@H]1COc3ccccc3O1)oc1ccccc12	24224136	VBEBKCFMDRSBTB-OAHLLOKOSA-N	418.449	3.963	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCc1ncc(-c2ccccc2)o1	28990732	RHQNQYGSRQWOGZ-UHFFFAOYSA-N	421.497	3.542	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1Cl	32627936	VXCYKZHLSSQJTE-UHFFFAOYSA-N	424.935	3.628	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1	139932270	IZKBORDFBNOVBI-PGRDOPGGSA-N	413.518	3.568	10	20	HHCD	
Cc1c(CNC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)n(C)c2ccccc12	468005083	OJRROQNPSWWMKR-UHFFFAOYSA-N	403.490	3.908	10	20	HHCD	
CC(C)COC(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	726140775	ZGUGOERSRFPBIH-UHFFFAOYSA-N	403.567	3.994	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1	726561734	OHOCQASEEIEZNY-UHFFFAOYSA-N	410.905	3.933	10	20	HHCD	
CC1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cn2)CC1	727103781	URVJQLBWAYQQJL-LJQANCHMSA-N	408.546	3.646	10	20	HHCD	
COc1ccccc1CC(C)(C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	729602683	PDRUCFKOIOZMFN-GOSISDBHSA-N	411.546	3.913	10	20	HHCD	
O=Cc1cccc(OCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	731626838	HLYGHOPMGTWEER-UHFFFAOYSA-N	418.440	3.655	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cnn(Cc3ccc(OC)cc3)c2)cc1F	731638622	JXYQRASVRUSJAX-UHFFFAOYSA-N	410.493	3.855	10	20	HHCD	
Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1N1C(=O)CCC1=O	733037226	UWBGRJHBXSUOHY-UHFFFAOYSA-N	420.513	3.911	10	20	HHCD	
CN(C)C(=O)C1(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCCC1	733670144	NOAGBADXZUJQCU-UHFFFAOYSA-N	421.501	3.805	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl	735753734	ZOOIIEJPYDRXOW-AWEZNQCLSA-N	417.893	3.846	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c(C)n1-c1ccc(F)cc1	739811429	ZRQJPFDAUOBJTH-QGZVFWFLSA-N	419.456	3.691	10	20	HHCD	
CSc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	740656301	YMQPWQSHUHIPCJ-IRXDYDNUSA-N	400.544	3.890	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC2(Cl)Cl)NC(=O)OC(C)(C)C)cc1	742750188	AXVSCDARJQQNEB-LSDHHAIUSA-N	416.349	3.628	10	20	HHCD	
O=C(CCOc1ccccc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800917	MTUOEUMBOCXXBM-OAHLLOKOSA-N	408.420	3.981	10	20	HHCD	
CC(C)(C)c1cnc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1	743221322	VNEWMWQLUVGNEG-UHFFFAOYSA-N	402.564	3.971	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@@H](COCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	743565381	WATMXSBQFQDELL-IFMALSPDSA-N	423.557	3.833	10	20	HHCD	
COCCOC[C@H]1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	743566583	JNMISKGEHBMSEY-FQEVSTJZSA-N	403.567	3.650	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1	745847522	OMTLFDGVYLKARA-SUMWQHHRSA-N	417.893	3.610	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](c2ncc[nH]2)C1	745905105	XDRTZBCYMDGFES-HZPDHXFCSA-N	419.476	3.569	10	20	HHCD	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3ccc4c(c3)CCCN4C)n2)n1	746879987	PZSBPMHFGZKLIQ-UHFFFAOYSA-N	409.921	3.850	10	20	HHCD	
CCN(Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)c1ccc(OC)c(OC)c1	750042018	SMDGOFOUHWXEPW-UHFFFAOYSA-N	414.531	3.564	10	20	HHCD	
COc1cccc([C@@H](C)CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	753317594	QSFWGDCKSPMJJC-INIZCTEOSA-N	400.494	3.605	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1F	753860962	KTKHDDXDMLFKRP-UHFFFAOYSA-N	412.292	3.902	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ncc(Cc2ccccc2)s1	756190839	USUOHFKSRZFBSP-UHFFFAOYSA-N	409.511	3.817	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CCOCC1)c1ccc(Br)cc1O	756362051	IUIYFOHBSKFVBZ-HNNXBMFYSA-N	405.336	3.838	10	20	HHCD	
COc1ccc(Br)c(C(=O)NCCCN[C@H](C)c2ccc(C)cc2O)c1	756565168	YHPJDALOEAIUPD-CQSZACIVSA-N	421.335	3.942	10	20	HHCD	
COc1ccccc1N1CC[C@H](N[C@H](C)c2cc(Br)cc(F)c2O)C1=O	756741089	BTMFEWRQQAJVPE-ABAIWWIYSA-N	423.282	3.759	10	20	HHCD	
CCN(CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1	760952344	ROUYLNKZPOGXLO-UHFFFAOYSA-N	401.894	3.726	10	20	HHCD	
COc1ccc(OCCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	761981062	FSHLNVAAHDRLFA-SFHVURJKSA-N	418.921	3.604	10	20	HHCD	
C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc([N+](=O)[O-])c1	762100693	SDWAKPRILFGRHH-KBXCAEBGSA-N	417.893	3.838	10	20	HHCD	
C[C@@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc(N2CCCCCC2)cc1	764847473	REDWDRFTVMPKNT-JOCHJYFZSA-N	422.621	3.720	10	20	HHCD	
Cc1c(NCc2cccc(Br)c2O)nn2c(C(F)(F)F)nnc2c1C	764933501	DKGOSFHABYZQTK-UHFFFAOYSA-N	416.201	3.840	10	20	HHCD	
C[C@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(N2CCCCC2)cc1	766514492	XLSSLRPUTDEVQH-FQEVSTJZSA-N	414.638	3.954	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c(C)n1-c1ccccc1	766946939	HKZMUAMYNCHBRT-JTHBVZDNSA-N	406.530	3.598	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Cn2ccnc2)cc1	768916677	SLVMYXYHEWUOMH-OAQYLSRUSA-N	424.932	3.685	10	20	HHCD	
CCOc1ccc(CN2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c(O)c1	769161161	LTTJLLOELFVEBQ-OAHLLOKOSA-N	414.531	3.781	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](c1ccccc1)n1cccn1	769292812	UPMSKZFKHYXIQV-LJQANCHMSA-N	414.303	3.989	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1	773229093	HDTXTXQHIYCNBM-GOSISDBHSA-N	417.575	3.503	10	20	HHCD	
COc1ccccc1[C@@H](CNCc1ccc([N+](=O)[O-])c(OC)c1O)N1CCCCC1	774976308	KRLBVXVOGNWYTE-LJQANCHMSA-N	415.490	3.634	10	20	HHCD	
C[C@@H]1CN(Cc2csc(NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)n2)C[C@@H](C)O1	775433025	SGRGHNMJCMUUDP-BZUAXINKSA-N	417.579	3.701	10	20	HHCD	
CCn1cc(-c2n[nH]cc2C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1	778608267	ZBJPLQGUAIYKCX-UHFFFAOYSA-N	406.534	3.992	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1	779499768	OICHRZVNCVQNAO-FTPZRKARSA-N	417.303	3.516	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1	780394079	QDBAMJAKCFURPO-WMZHIEFXSA-N	401.551	3.796	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](c3ccccc3)C3CCOCC3)CC2)cc1	782756139	HMKPFHGLQWOAJF-AREMUKBSSA-N	423.601	3.965	10	20	HHCD	
CCN(C(=O)c1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1Cl)C(C)C	786472702	WABMIOCMNIGBLH-UHFFFAOYSA-N	419.909	3.986	10	20	HHCD	
COCCOc1cc(OC)ccc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	788451346	ZUQHEBNIJAGVEX-UHFFFAOYSA-N	418.453	3.682	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)cc1	789720741	APKJFDMYURQKCG-GOSISDBHSA-N	403.324	3.861	10	20	HHCD	
Cc1ccc(CN2CC[C@@H](N[C@H](C)c3cc(Br)ccc3O)C2=O)cc1	790749411	WIPIIEKIUZRRNF-RDTXWAMCSA-N	403.320	3.915	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	792702865	GESJDJAOYJYVIX-UHFFFAOYSA-N	419.278	3.586	10	20	HHCD	
COCCO[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	801062364	WSCVTQHUCATGDT-PKOBYXMFSA-N	423.985	3.913	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC1CCN(c2cc(CC)ncn2)CC1	802222064	RDTJBLYZVBRZJA-UHFFFAOYSA-N	411.550	3.725	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1F	804853234	UOQXZPMATJQAHM-UHFFFAOYSA-N	415.484	3.618	10	20	HHCD	
C[C@@H](NCc1ccncc1OC[C@H]1CCOC1)c1ccc(Br)cc1O	806659843	HLAMBXLGXHDWMD-KGLIPLIRSA-N	407.308	3.816	10	20	HHCD	
CCc1cnccc1[C@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	809519792	UUBBJRPCWYLROY-KRWDZBQOSA-N	409.530	3.888	10	20	HHCD	
CC(C)(C)OC(=O)N(CCNCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C	809607358	XPTYENWQEQPWEC-UHFFFAOYSA-N	409.546	3.788	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1	809704361	AQZGBIQELLAIDD-RDGATRHJSA-N	420.557	3.666	10	20	HHCD	
CCS(=O)(=O)N1CCC([C@H](C)N(C)Cc2cc(Cl)cc(Cl)c2O)CC1	809785236	QHIOCYFNADUMCC-LBPRGKRZSA-N	409.379	3.581	10	20	HHCD	
NC(=O)C1CCN(CCc2ccc(NCc3cc(Cl)c(F)cc3O)cc2)CC1	816525783	ILHUVSPVQAGWDF-UHFFFAOYSA-N	405.901	3.537	10	20	HHCD	
COc1cccc(C2=N/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)O2)c1	912757638	AQHPGJUBWWQSAO-PDGQHHTCSA-N	407.426	3.938	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](CN1CCCC1)c1ccccc1	916469578	KYQGSDVMKAGQLY-QHCPKHFHSA-N	424.614	3.876	10	20	HHCD	
Cc1cccc(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C	917406369	ZPIVBRIZOFPPQS-ROUUACIJSA-N	413.537	3.809	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1C	917758437	YGGLVRCBMPBRMO-UHFFFAOYSA-N	410.561	3.791	10	20	HHCD	
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	918187629	HNEPWFVODQPIRP-UHFFFAOYSA-N	415.374	3.936	10	20	HHCD	
CC(C)c1ccc(OCCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	921282855	RBJLKGFDWZERHT-NRFANRHFSA-N	423.557	3.597	10	20	HHCD	
CCOC(=O)[C@H](NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)[C@H]1CCCOC1	1320804225	GEKCGTWXAVFHFV-OXJNMPFZSA-N	418.921	3.836	10	20	HHCD	
CC(C)c1ccc(-c2noc(CCC(=O)OCC(=O)c3ccc(O)c(O)c3)n2)cc1	1321026094	VCMZVLJTNXPRMW-UHFFFAOYSA-N	410.426	3.630	10	20	HHCD	
O=C(NCCc1c[nH]c2cc(F)ccc12)NCc1ccc(N2CCSCC2)cc1	51278745	SVWHKIINOLLJHV-UHFFFAOYSA-N	412.534	3.902	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(S)nnc1-c1ccc(C)cc1	105176090	PBQIGUJVUVBLGR-UHFFFAOYSA-N	409.559	3.657	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)N1CCc2ccccc2C1	303793403	QQJMFEDUKXAUPM-NLFFAJNJSA-N	421.585	3.707	10	20	HHCD	
COCCCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	142190850	NRIKVFIQANASNC-SFHVURJKSA-N	413.518	3.821	10	20	HHCD	
CCCCc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	141690161	XLIPNPBMIKSZGB-SFHVURJKSA-N	409.530	3.682	10	20	HHCD	
Cc1ccc(C2=S=C(C(=O)Nc3ccc(CS(=O)(=O)C(C)(C)C)cc3)C=C2)o1	514229169	BKMJJROAHNNEDL-UHFFFAOYSA-N	417.552	3.936	10	20	HHCD	
COC(=O)c1ccc([N+](=O)[O-])c(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)n1	439109208	UZUJODDKPTUDRL-UHFFFAOYSA-N	408.414	3.560	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(N3CCOCC3)cc2)C(C)(C)C1	800892421	BSLRFRSNCWVMTC-FQEVSTJZSA-N	403.567	3.648	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@H](c1ccccc1)N(C)C	807404251	JUEQQHXGXCCZRL-QTGUNEKASA-N	411.546	3.774	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](CN1CCOCC1)c1ccccc1	801968860	YJTDQCJPMKFMNJ-JOCHJYFZSA-N	411.546	3.777	10	20	HHCD	
Cc1c(CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)n(C)c2ccccc12	472049199	PVYTXJSRKJKIBO-FQEVSTJZSA-N	418.541	3.520	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(C(C)C)cc1	800471237	PUPVMEOUDSGEHF-HXUWFJFHSA-N	402.560	3.519	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1	808410036	YZVRUZPPRBUKDJ-QGZVFWFLSA-N	420.513	3.502	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H](c3ccccc3C)C(C)C)CC2)cc1	804315465	LXCMEFCEASXGTH-HSZRJFAPSA-N	423.557	3.602	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3	808009887	BTMZWEJHZWMPTK-GFCCVEGCSA-N	412.536	3.822	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1	806276214	LESQTBJOCXPIPB-IAGOWNOFSA-N	403.573	3.584	10	20	HHCD	
CC[C@@H]1CCCC[C@@H]1c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	809464802	LSOGDPSYSTXFLN-XLIONFOSSA-N	412.534	3.653	10	20	HHCD	
CC[C@@H](N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc(Cl)c1O	806147482	JLTKFMBHWWNIKN-RTBURBONSA-N	404.894	3.909	10	20	HHCD	
C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807289314	PQTOCBAISCYZFW-JPYJTQIMSA-N	403.526	3.509	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21	802610280	YFRNFVIXKDKKQV-LJQANCHMSA-N	407.514	3.537	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c([N+](=O)[O-])c1Br	814923468	ISYYYBJAGOPZMN-UKKRHICBSA-N	412.240	3.756	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2[nH]c3ccccc3c2CC(=O)OC)cc1F	816921807	HPPLCXCVFXYBIT-UHFFFAOYSA-N	411.477	3.799	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1	728946334	AHZDBEZUEXBWQS-AWEZNQCLSA-N	419.472	3.704	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2cc(C)oc2C)cs1	727249946	HFHQYLWGYVQFPD-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H](C)COCc3ccccc3)CC2)cc1	726614639	ZZWRCJUDZZZQMZ-LJQANCHMSA-N	411.546	3.816	10	20	HHCD	
COc1ccc(N2CCCN(C(=S)NCCCN(C)c3ccccc3)CC2)cc1	726471578	QRKHSKYKQQZTBI-UHFFFAOYSA-N	412.603	3.608	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1	734703629	RNEHKEPNCIRRDA-UHFFFAOYSA-N	418.497	3.812	10	20	HHCD	
CN(C)C(=O)CN1CCC(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	731762039	XTMBXMGMBXECJF-UHFFFAOYSA-N	408.506	3.776	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)n(C)c2ccccc12	583773466	YPHFYQXGIWRGSD-PKOBYXMFSA-N	407.489	3.695	10	20	HHCD	
Cc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2c(O)ccc3ccccc23)CC1	736585758	XNMVUBWFHDFXJH-IBGZPJMESA-N	404.510	3.966	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(C)C[C@@H]3COc4ccccc4O3)cc2)CC1	731049003	VZFJHGWOARECQG-OAQYLSRUSA-N	409.530	3.904	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc(F)c(Cl)c3)cc2F)C[C@@H](C)O1	917170013	SFFYZHRLQSANQY-ZIAGYGMSSA-N	424.875	3.927	10	20	HHCD	
CC[C@@H]1CO[C@@H](C)CN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	915276236	PQCAUBSXBPLVJA-ORDDCKFQSA-N	424.613	3.755	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN(C)CC3CCCCC3)cc2F)C[C@H](C)O1	916980350	KQDSISARKXAAOK-ROUUACIJSA-N	405.558	3.568	10	20	HHCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	744014404	OAEVRNNGINDFPY-JSGCOSHPSA-N	420.351	3.890	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)n[nH]2)o1	918633266	KSYVENVRFVVMGT-GASCZTMLSA-N	412.465	3.661	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1=Cc2ccccc2OC1	916458080	TXRXMFIFRJDJLV-UHFFFAOYSA-N	418.415	3.634	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@H](O)c1cc(OC)ccc1OC	743871313	BGAUILBYXHRUOU-SFHVURJKSA-N	410.308	3.727	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](c1ccccc1F)N1CCOCC1	742589050	KWQLBGZDFYNWRG-HSZRJFAPSA-N	411.521	3.506	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(CC(F)(F)F)CC2)cc1	742770901	ZLAQVVYDFQLUHY-UHFFFAOYSA-N	400.489	3.701	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1C(F)(F)F	749731843	ZMAPPDXHSCLMCO-UHFFFAOYSA-N	403.451	3.707	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1	756398297	UMTFTLVRDRUIKE-SECBINFHSA-N	400.788	3.967	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](CCO)CC(C)C	754376000	RYMSUEPBUIHVGL-CQSZACIVSA-N	401.345	3.731	10	20	HHCD	
CO[C@@H]1C[C@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1(C)C	753261208	NIIIBYIQYKSNCO-XEZFYOOLSA-N	424.613	3.659	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(Br)s1	756927238	NXMYJCLOFKSIOO-LLVKDONJSA-N	400.317	3.732	10	20	HHCD	
CC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCOCC1	753267754	JUQZUHKOFJPMDC-QINSGFPZSA-N	424.613	3.662	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)cc2F)C[C@H](C)O1	755201496	WNTPTQXVNXHDEJ-HOTGVXAUSA-N	415.465	3.597	10	20	HHCD	
CC(C)CC1(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1	757425549	NWCQYMFLYIOMQP-UHFFFAOYSA-N	406.438	3.926	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CSc2ncnn2C)sc(C)c1-c1ccccc1	758416690	UJLZGIMGRYMWEK-UHFFFAOYSA-N	416.528	3.760	10	20	HHCD	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	769471591	VZDBEUCLHBCMOT-UHFFFAOYSA-N	410.257	3.565	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	769302629	UKMCJBZTPQVCKV-MRXNPFEDSA-N	408.951	3.545	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCOC2(CCCCC2)C1	769021511	HFLRMJXHCUEONC-LJQANCHMSA-N	403.592	3.921	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2cccc(F)c21	769378787	KVJUVWZBZOYQKK-UHFFFAOYSA-N	418.471	3.597	10	20	HHCD	
Cc1nn(C)c(OCC(F)(F)F)c1CN(Cc1ccccc1O)C[C@H]1CCCO1	768161486	FRYVXCJXWHGIOM-MRXNPFEDSA-N	413.440	3.556	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NC2CCN(CC(F)(F)F)CC2)C1	765992345	IQXLBWWLHOBGDO-QGZVFWFLSA-N	405.892	3.626	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OC[C@@H]1CCCOC1	760743805	KXJUDBUYCKDZMT-NWFCWYBLSA-N	411.570	3.699	10	20	HHCD	
C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769912170	UDPHDZASYDTRCO-HNNXBMFYSA-N	402.516	3.767	10	20	HHCD	
COc1ccc(O)c(CNC(=O)/C(=C/c2ccc(O)c(OC)c2)c2ccccc2)c1	773401475	GWDLAKHJMAKSQZ-UDWIEESQSA-N	405.450	3.972	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1	773743654	GCPYYUVKCXIHIC-GAJHUEQPSA-N	421.493	3.848	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1	770586512	LUDMHRFYWKGTGH-UHFFFAOYSA-N	403.548	3.677	10	20	HHCD	
Cc1ccn(-c2cccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)c2)n1	1116436789	BIJABKNOVVKKOG-UHFFFAOYSA-N	403.530	3.963	10	20	HHCD	
CCOCCC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC1	770266321	SQFPRHFGVDBCIC-UHFFFAOYSA-N	414.468	3.755	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccn(C2CCCC2)n1	771069485	ZBDKIASRHXSIGH-QGZVFWFLSA-N	402.926	3.752	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)c1O	775049659	BMUNGCDZZKJVOU-HNNXBMFYSA-N	404.810	3.533	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(c4ccc(F)cn4)CC3)c2C)cc1	775214685	RKVNCOIOGFHQQN-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cccc(C)c3Cl)n2)c[nH]1	776083021	MZNAOJOVGAZPJX-UHFFFAOYSA-N	411.892	3.687	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1[N+](=O)[O-]	777638680	XWIKTMRZCDOJQP-UHFFFAOYSA-N	423.447	3.711	10	20	HHCD	
Cc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cccc([N+](=O)[O-])c2n1	776288016	FPAAQZJJLKBYKT-KRWDZBQOSA-N	419.485	3.765	10	20	HHCD	
CO[C@H](CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccc1	786658774	WMACWCSKMPBBQR-JOCHJYFZSA-N	410.514	3.557	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c(O)c1	797643255	QFCHBSCKIDREIP-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
Cc1c(C(=O)Nc2c(Cl)ccc3nonc23)nnn1-c1cccc2ncccc12	1323420269	UMGAIKALMYJDCK-UHFFFAOYSA-N	405.805	3.566	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H]4CCCC[C@H]4C3)cc2F)CC1	1326865746	IJYDOFMUQYSQIV-PMACEKPBSA-N	402.558	3.689	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(c1ccccc1)c1ccccc1	1320271710	DVQRMBJONNCRJQ-FQEVSTJZSA-N	419.477	3.520	10	20	HHCD	
O=[N+]([O-])c1ccc(NNC(=S)Nc2cccc(F)c2F)c(Br)c1	1255261236	DBCJPIQIFOFVRQ-UHFFFAOYSA-N	403.208	3.949	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Nc2ccccc2)c1	1342916396	OBUJJARDSGOJOX-FQEVSTJZSA-N	420.465	3.746	10	20	HHCD	
CC(C)NC(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1	23617655	WGUSXCDGQZIFOK-UHFFFAOYSA-N	405.458	3.903	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1SCC(=O)N1CCCC1	60678586	YWPBOFKKQVMHPO-UHFFFAOYSA-N	411.571	3.739	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2-n2ncc3c(=O)[nH]cnc32)cc1	106226705	LIFPZHICFKACCA-UHFFFAOYSA-N	424.464	3.769	10	20	HHCD	
O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NCc1ccccn1	110652320	LIJJCKPYAONJLD-IBGZPJMESA-N	408.527	3.533	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3coc(-c4ccccc4)n3)CC2)cc1	237275042	XITHSKKVQHDYNR-UHFFFAOYSA-N	406.530	3.652	10	20	HHCD	
OC1CCN(c2ccc(CNc3cncc(OC4CCCCC4)n3)cc2F)CC1	302256575	ZEUQBJSPNUMTPJ-UHFFFAOYSA-N	400.498	3.900	10	20	HHCD	
CCc1c(C(=O)NCc2c(C)c3ccccc3n2C)nnn1Cc1ccc(F)cc1	471233313	IRIMOQOSTPUYPN-UHFFFAOYSA-N	405.477	3.758	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)n(C)c2ccccc12	511444640	BUHOJDBONKBRHP-WOJBJXKFSA-N	403.526	3.946	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)n(C)c2ccccc12	511978363	UQCVIGQJSXEMNB-GOSISDBHSA-N	405.502	3.592	10	20	HHCD	
CNC(=O)c1ccc(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)c([N+](=O)[O-])c1	520323204	XOWNINYLPYMTRJ-UHFFFAOYSA-N	406.442	3.738	10	20	HHCD	
COc1cc(CNCc2ccc3c(c2)CCO3)c([N+](=O)[O-])cc1OCC(F)(F)F	725852506	BRYWRRZTSNNMGF-UHFFFAOYSA-N	412.364	3.769	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	726275665	YFQSQBXCGFXCJU-HKUYNNGSSA-N	418.582	3.930	10	20	HHCD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=S)NCCCN(C)c1ccccc1	726440320	IVUBOKUQNXRYQF-UHFFFAOYSA-N	411.619	3.560	10	20	HHCD	
O=C(CSCc1cccnc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565546	GAOUFICLEHMJDY-UHFFFAOYSA-N	407.486	3.701	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(Cc2cccc(F)c2)o1	727653829	KZGYHOYKBJEGJC-UHFFFAOYSA-N	414.506	3.616	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NCc3ccccc3F)ccc21	728638180	XUDYWZLCKHESLT-UHFFFAOYSA-N	412.461	3.517	10	20	HHCD	
CC(C)[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCC1	729611441	KJOXRDFDQUPIEA-FQEVSTJZSA-N	424.536	3.676	10	20	HHCD	
O=C(CCc1cc(Br)cs1)NCc1ccc(N2CCOCC2)cc1	730533852	ILGADJMGNLBODI-UHFFFAOYSA-N	409.349	3.596	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)o1	730933133	WYUUMBKKXFBRHB-UHFFFAOYSA-N	416.839	3.783	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1S(C)(=O)=O	731015988	AASFQQONKNNMSO-UHFFFAOYSA-N	400.544	3.565	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1F	731347142	MQHQSMVWGPGRQV-IAGOWNOFSA-N	414.525	3.611	10	20	HHCD	
COC(=O)CN(Cc1nnc(-c2cccc(Cl)c2)o1)Cc1cc(Cl)ccc1O	731844608	GOXFJSJWSRSSDU-UHFFFAOYSA-N	422.268	3.924	10	20	HHCD	
O=C(COc1ccc(F)cc1Br)NCCCSc1nccs1	733974709	KQDXKFUHAIEIIY-UHFFFAOYSA-N	405.314	3.722	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCN([C@H](C)c4cccnc4)CC3)cc2)CC1	734169879	CCNRJRFPUDKTEY-OAQYLSRUSA-N	421.589	3.906	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NC(=S)Nc3ccc4c(c3)OCO4)CC2)cc1	735240900	XEBLHTUVVZUPQE-UHFFFAOYSA-N	421.469	3.972	10	20	HHCD	
CCc1ccc([C@H]2COCCN2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1	736380977	SUVINLJQYMIFOQ-LAUBAEHRSA-N	413.518	3.523	10	20	HHCD	
O=C(NCCOc1ccccc1C(F)(F)F)NCc1ccc(N2CC=CC2)cc1	740914382	XASSRXVKKZTRSE-UHFFFAOYSA-N	405.420	3.960	10	20	HHCD	
Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1C(=O)N(C)C	741075199	SQYZSJFJSFRCJT-LJQANCHMSA-N	411.502	3.616	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)ccc1F	741136321	QIFIWLRLXUTAJI-UHFFFAOYSA-N	405.495	3.965	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)C2CC2)cc1	742524330	LGYUJACAJHOROL-UHFFFAOYSA-N	401.551	3.891	10	20	HHCD	
Cc1nc(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1	742755040	USGPEZXFPQKKEX-QGZVFWFLSA-N	418.563	3.822	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2cccc(N3CCCNC3=O)c2)C2CC2)cc1	743219789	HVFUHVVEBFJUBU-UHFFFAOYSA-N	407.518	3.869	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C(=O)N1c1ccccc1	745883031	RHMGRLZJILHWSV-VGSWGCGISA-N	406.530	3.621	10	20	HHCD	
C[C@H]1CCCN(Cc2csc(NC(=O)NCc3ccc(N(C)C)c(F)c3)n2)C1	746708237	NEZVBKKFZZIXQP-AWEZNQCLSA-N	405.543	3.902	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C2CC2)cc1	747150265	MIKNRDXRABJXQC-UHFFFAOYSA-N	421.950	3.582	10	20	HHCD	
O[C@](CNCc1ccc(N2CCOCC2)cc1)(c1ccc(Cl)cc1)C(F)(F)F	751507670	VYQCRUBAOVRMRY-LJQANCHMSA-N	414.855	3.716	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](OCCCc2ccccc2)C1	752016421	TYRAYGYVLNTRPM-DEOSSOPVSA-N	405.542	3.996	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccc(C(N)=O)cc3)c2C)cc1F	753477344	DNOCFLPMLHXFCY-UHFFFAOYSA-N	422.456	3.609	10	20	HHCD	
CC(C)CCn1ncc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C(C)C	753811705	NHLKPUXRHBGEJA-UHFFFAOYSA-N	413.566	3.716	10	20	HHCD	
C[C@@H](NC(=O)N1CCO[C@H](CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	754170764	YFZMJQRRFWXAJZ-HYBUGGRVSA-N	423.557	3.627	10	20	HHCD	
Cc1ccc(NC(=O)NC(=O)CN(Cc2ccco2)Cc2ccccc2O)c(C)c1	756328132	ZAUKDQGRTKKQHX-UHFFFAOYSA-N	407.470	3.953	10	20	HHCD	
C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(Br)cc1O	756355006	FEBFUDRIGUFYBK-MAUKXSAKSA-N	405.336	3.706	10	20	HHCD	
COCC(=O)Nc1cccc(CN[C@@H](C)c2cc(Br)c(F)cc2O)c1	756381111	WYXCNVWJVFYWJK-NSHDSACASA-N	411.271	3.730	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCCCCCN1C(=O)c2ccccc2C1=O	759594262	MWPTWQLCCYWYRS-BENRWUELSA-N	409.438	3.511	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	760309972	NVFKNTFEPGLGDZ-UGKGYDQZSA-N	424.541	3.835	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c(C)n1-c1ccccn1	760564384	ZQZZHPGZXJRYCI-QFIPXVFZSA-N	418.541	3.510	10	20	HHCD	
C[C@@H](Nc1cnn(CC2CC2)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	762549118	UWCSBPKNYNDJMH-CQSZACIVSA-N	414.465	3.508	10	20	HHCD	
CC1CCN(c2ccc(C(=O)NCc3cccc(Br)c3O)cn2)CC1	765766825	CFQBGABBHYOINE-UHFFFAOYSA-N	404.308	3.716	10	20	HHCD	
Oc1cc2c(cc1CN1CCc3c(Br)ccc(Cl)c3C1)[C@H](O)CO2	767475422	DMKSVHAVFFFYSX-QGZVFWFLSA-N	410.695	3.792	10	20	HHCD	
CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(Br)cc(OC)c1O	768171937	MOHUFQYRTIGRGH-UHFFFAOYSA-N	423.307	3.633	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc4ncccc4c3)cc2F)C[C@@H](C)O1	768516998	JRHOBQKUPWKINO-IAGOWNOFSA-N	423.488	3.683	10	20	HHCD	
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1c2ccccc2-c2ccccc21	769942312	YTRQWHCTEDTQKZ-UHFFFAOYSA-N	408.479	3.606	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccn(Cc4ccccc4)n3)cc2F)C[C@@H](C)O1	771931465	ZDLRZHRUIRRUTA-QZTJIDSGSA-N	422.504	3.614	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(N(C)C)cc1	773613312	PSPCWCATELBBSR-LIRRHRJNSA-N	400.910	3.572	10	20	HHCD	
CC[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1OCC(=O)N(C)C	775056817	RVFHTDNJRARYMP-IBGZPJMESA-N	418.921	3.956	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(c1ccccc1)c1ccccc1	775116666	UJGBBMJOHUTTGD-UHFFFAOYSA-N	415.537	3.659	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	775192448	MWFIKNLTAOHXQE-LEWJYISDSA-N	410.514	3.557	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c1	775369727	GJZMSJBBBREPMI-SNVBAGLBSA-N	408.380	3.585	10	20	HHCD	
COCC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccco1	780049473	XGUBMTZBYHCKDM-MAUKXSAKSA-N	423.460	3.927	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	782647682	FBOCDZUZWRCHOU-QZTJIDSGSA-N	404.555	3.696	10	20	HHCD	
C[C@H](NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1	783309664	LXQZEHQGGONLDE-QOKNQOGYSA-N	404.448	3.797	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C2CCCCC2)cc1	784057962	IMAQNTWCMWJNGX-UHFFFAOYSA-N	420.513	3.922	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C(F)(F)F)cc1	785621757	HEWZCSKXODPMTG-UHFFFAOYSA-N	408.420	3.856	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1	788911012	MQQIYKALPHWUGD-VWNXMTODSA-N	419.569	3.821	10	20	HHCD	
CCC[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)sc2C1	789535354	STAKOKUFDHYJGV-INIZCTEOSA-N	424.570	3.679	10	20	HHCD	
CCc1cc(CN2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)c(O)c(C(C)(C)C)c1	792717277	TYXIJLVWWVVADF-WTYVLRPYSA-N	403.592	3.774	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)cc2Cl)C1	800572206	UZTPSEAVZUMRHB-UZLBHIALSA-N	413.953	3.652	10	20	HHCD	
Cc1cc(C(=O)OC[C@]2(C)CNC(=O)C2)c(C)n1-c1ccccc1Br	802191922	PHUDIPSKVHWQIW-IBGZPJMESA-N	405.292	3.540	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1c(Cl)nc2sccn12	805135322	JJORWXXZZXIKAQ-UHFFFAOYSA-N	412.707	3.540	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CC[C@H](n4cc(C)cn4)C3)c2C)cc1	810120694	NTIUICYPHXWRDD-NRFANRHFSA-N	420.513	3.515	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H](O)c3ccc(Cl)cc3F)cc2F)C[C@@H](C)O1	813416349	OGSDXCRTEPVSJN-RDXCRGQUSA-N	424.875	3.582	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCC3=O)cc1	814378098	JJEOTYNOZJQRQO-UHFFFAOYSA-N	400.544	3.873	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc(C(F)(F)F)c1O	815559451	HCBXGBQHQCVKSA-OAHLLOKOSA-N	421.463	3.649	10	20	HHCD	
COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)c1	816484715	MLJFFKLJOPMIET-UHFFFAOYSA-N	406.482	3.521	10	20	HHCD	
COc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1[N+](=O)[O-]	819427051	FPWBHFLFRBCLBX-UHFFFAOYSA-N	420.487	3.833	10	20	HHCD	
O=S(=O)(NCC1CC1)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1	864044276	ZGDLUJAMVPCVEC-UHFFFAOYSA-N	401.315	3.999	10	20	HHCD	
Cc1ccc(C)c(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	917405984	VIRUCQOTLMGYIP-KDURUIRLSA-N	413.537	3.809	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccc(CCN3CCOCC3)cc2)C2CC2)cc1	918052766	PNENPNYGTMFRNL-UHFFFAOYSA-N	422.573	3.824	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NCC(F)(F)F)c(C)n1-c1cccc(Cl)c1	920662847	SGLXPJQSPUJOQE-GFCCVEGCSA-N	402.800	3.971	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)CCc3c(C)ncnc3O)c2C)c1	1318555939	KMQNMIIGKOSQRU-UHFFFAOYSA-N	421.497	3.874	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1	105052800	JJYPUUOAWGPAHG-IBGZPJMESA-N	409.505	3.828	10	20	HHCD	
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cc2c(cc1[N+](=O)[O-])OCCO2	63428162	ASUJMLZNNZOXCH-YRNVUSSQSA-N	411.801	3.674	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(C)cc3Br)CC2)cc1	302833247	MQBMBLYLCMNTNR-UHFFFAOYSA-N	418.335	3.527	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(O)c1O	110532732	UMZCRXKPTHLRIQ-UHFFFAOYSA-N	403.740	3.874	10	20	HHCD	
COc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC	48745145	BLZIVPZNHAQWIZ-UHFFFAOYSA-N	410.436	3.849	10	20	HHCD	
COc1ccc([C@H](NCc2cc(C)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1	237357182	WQMVBEPDVPMPNQ-QHCPKHFHSA-N	411.523	3.992	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	140129776	PHVRLHJYFRUZLG-CQSZACIVSA-N	414.449	3.582	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	437021926	UBAHYCZIXZYOOO-UHFFFAOYSA-N	424.451	3.744	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(-n4cnnc4O)c3C)ccc21	461092888	GWJUQXJZQUHGPU-UHFFFAOYSA-N	419.485	3.752	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccn1	807788420	AZYCQINCJAGFML-GOSISDBHSA-N	403.404	3.971	10	20	HHCD	
Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	801719268	KIFSJHKLCVEAHE-IAGOWNOFSA-N	423.536	3.927	10	20	HHCD	
COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	804369295	YXQRIIOWZHEQSG-HXUWFJFHSA-N	424.419	3.670	10	20	HHCD	
Cc1ncc(-c2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)o1	807511603	QHRYRCAWODGUPN-UHFFFAOYSA-N	420.252	3.917	10	20	HHCD	
Cn1ncc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1-c1ccccc1	807006897	UWSCHUJHLQOVGB-UHFFFAOYSA-N	417.513	3.831	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1c(C)noc1C	809618228	FVCRFDNLOLPERH-HXUWFJFHSA-N	412.534	3.508	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	800913540	IOPHLAHJPRKVFB-UHFFFAOYSA-N	414.458	3.800	10	20	HHCD	
CCOCc1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1	812016397	FJWDOMLJKKUPQO-MRXNPFEDSA-N	415.538	3.935	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCn1cc(Br)cn1	811583435	GXJUZAUFOXHMLO-UHFFFAOYSA-N	407.337	3.887	10	20	HHCD	
Cc1nc(Br)sc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	816921879	JXDSHCPUAUWBPK-CYBMUJFWSA-N	411.321	3.741	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ccc(C(F)(F)F)cn2)CC1	480810441	GCOVZWMIXOAGPC-UHFFFAOYSA-N	401.388	3.923	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cc(OC)c1OC	727864115	SFYSHDUSCDSTLR-GZTJUZNOSA-N	416.524	3.551	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2ccccc2c(O)n1	726565132	BWTDUPNBKICLPS-UHFFFAOYSA-N	413.424	3.941	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cc1	728593447	WFPMOLWDYZNRGZ-KRWDZBQOSA-N	417.351	3.593	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(Cc2c(O)ccc3ccccc23)C1)c1cccc(F)c1	729467725	JJENJONSXSNUMT-GOSISDBHSA-N	414.502	3.627	10	20	HHCD	
COc1cccc(OCCCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	739040244	YEZOIUOFSFOFBE-NRFANRHFSA-N	414.502	3.561	10	20	HHCD	
COC(=O)CSCc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1	734649442	GWRKIILYCVREBZ-UHFFFAOYSA-N	401.532	3.789	10	20	HHCD	
CCCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N(CC)CC)c(F)c1	731346271	UFKHFDOZEMFESV-UHFFFAOYSA-N	406.523	3.786	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1	734687532	GWHKGLSLIXKSMA-KRWDZBQOSA-N	416.516	3.928	10	20	HHCD	
Cc1cc2cc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2[nH]1	737110861	LAZRMOPTOGPQAO-UHFFFAOYSA-N	403.438	3.942	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c(F)c1	914793099	XCBNINVEADITNL-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)s1	917873416	YUFNGHXCAOQQSF-UHFFFAOYSA-N	419.553	3.873	10	20	HHCD	
COc1cccc([C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)N(C)C)c1	745295119	AICFJLVOBWLFFI-QHCPKHFHSA-N	412.578	3.984	10	20	HHCD	
COC(=O)NCC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	917691679	SKFVRDLFCGIOOY-MRXNPFEDSA-N	409.408	3.654	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3cnccn3)CC2)c(C)n1-c1cccc(C(C)C)c1	916159766	IIXBOGVGKQREHZ-UHFFFAOYSA-N	403.530	3.970	10	20	HHCD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801726	SEXLOBWBVVGCEE-XJKSGUPXSA-N	406.477	3.527	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)c1	918199089	MNJKAMTZNZLMBZ-MHWRWJLKSA-N	405.522	3.505	10	20	HHCD	
Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1	746457302	ODRWUATYMRYMFF-UHFFFAOYSA-N	402.542	3.948	10	20	HHCD	
COc1ccc2c(C)c(CCC(=O)N3CCOc4cc(N(C)C)ccc43)c(=O)oc2c1	742952270	JJDINFGBPLCQIE-UHFFFAOYSA-N	422.481	3.534	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1	920872501	UVMICWGRNDKTTN-GOSISDBHSA-N	422.529	3.528	10	20	HHCD	
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(N3CCCCCC3)c2)c1	740848703	YXZILJXJKAPUDA-UHFFFAOYSA-N	415.559	3.926	10	20	HHCD	
Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742334453	MLYOBVSETYZXDW-OAHLLOKOSA-N	414.449	3.683	10	20	HHCD	
COCCOc1ccc(Cl)cc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	748706544	HPGWUIRMIJKWTB-UHFFFAOYSA-N	418.921	3.773	10	20	HHCD	
CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)[C@@H]1CN(Cc2ccccc2)CCO1	756653355	DODKVUVDDQQWOU-FHZYATBESA-N	412.530	3.509	10	20	HHCD	
COc1ccc(N(C)Cc2nnnn2-c2ccccc2Br)cc1Cl	757857926	YJPOZCXEHREIGM-UHFFFAOYSA-N	408.687	3.723	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCC(Cn2ccnn2)CC1	753803161	CAEDBYTXIWBKAZ-UHFFFAOYSA-N	401.308	3.812	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1	758713516	GSMREJXZUDCVJS-GOSISDBHSA-N	413.587	3.926	10	20	HHCD	
CC(C)Cn1ncc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1C(F)F	758491038	ISNMPAMCAFHVTK-UHFFFAOYSA-N	408.518	3.960	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(OCCO)CC2)c(C)n1-c1ccc(F)c(Cl)c1	757131669	POYKJIPLJRFOSI-UHFFFAOYSA-N	408.901	3.543	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCS[C@H](C)CC2)c([N+](=O)[O-])c1Br	755053721	DILZLYYYHWDOCD-MRVPVSSYSA-N	406.258	3.606	10	20	HHCD	
C[C@H](NCCCCN1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1O	756533085	HSRQMXZDYZPVHI-HNNXBMFYSA-N	424.376	3.742	10	20	HHCD	
C[C@]1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO[C@H]1C1CC1	767953502	NWEUVDJOGFKMRU-XWFZLUIHSA-N	423.504	3.761	10	20	HHCD	
COC[C@@H]1CCCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	768326110	LRWLAKKWFZJWSA-MRXNPFEDSA-N	411.493	3.715	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(C(F)(F)F)ccc1F	760610004	LQUXEZOFQJSQQK-UHFFFAOYSA-N	410.411	3.983	10	20	HHCD	
C[C@H](COc1ccc(F)cc1F)NC(=O)NCc1cccc(Br)c1O	764766933	LVPCKMIUUKZQQG-SNVBAGLBSA-N	415.234	3.700	10	20	HHCD	
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	769741242	KDFNFRAUCXGXEL-HKUYNNGSSA-N	402.516	3.562	10	20	HHCD	
C[C@@H](NCc1nc(COc2ccccc2)n[nH]1)c1cc(Br)cc(F)c1O	769988168	RGQSLEZXNNXWQO-LLVKDONJSA-N	421.270	3.842	10	20	HHCD	
Cc1ccc(C)n1-c1nc(CC(=O)NCc2cccc(Br)c2O)cs1	765746295	FISMJEVXIZQJJK-UHFFFAOYSA-N	420.332	3.878	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	762344104	FNBPXBAPNPWASQ-MJGOQNOKSA-N	418.852	3.869	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(O)(c2ccccc2Cl)CC1	765497235	CRCULXNYKYYQJJ-UHFFFAOYSA-N	401.938	3.908	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)cc2)CC1	771513896	NRNHLBCSTBBTQS-RGEXLXHISA-N	413.543	3.983	10	20	HHCD	
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1	773611657	QRHGXWBXQKQHNQ-LJQANCHMSA-N	422.573	3.860	10	20	HHCD	
Cn1cnc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1Cl	776744645	YVEASZUCJGATEM-UHFFFAOYSA-N	420.903	3.857	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCn1ccc2ccccc21	777829007	SSWDOACOXASJRC-UHFFFAOYSA-N	400.862	3.592	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(OC(F)F)cn2)cc1	772611570	LCUCCXYXPLDCSZ-SFHVURJKSA-N	405.445	3.570	10	20	HHCD	
COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2cc3ccccc3o2)cs1	777666956	MVSZBUZOHQYZDN-UHFFFAOYSA-N	421.481	3.600	10	20	HHCD	
COc1ccc(N2CCC(N[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)CC2)cc1	779048625	QWZCAEBGCZTWOO-UTKZUKDTSA-N	403.567	3.899	10	20	HHCD	
CCOC(=O)N1CCC([C@@H](C)NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1	777683523	MCNPKQVSQDCJDW-GOSISDBHSA-N	418.582	3.931	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)CC3(c4ccccc4)CC3)cc2F)CC1	780417521	VBDKHENZDHDTRY-UHFFFAOYSA-N	424.564	3.841	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H]3C[C@@H]3c3cc(OC)ccc3OC)CC2)cc1	788088680	AOGFTTYHMTURJA-IRLDBZIGSA-N	410.514	3.555	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)c(Br)[nH]1	1120558606	HXDKBERIOXYJQJ-UHFFFAOYSA-N	415.129	3.878	10	20	HHCD	
COC(=O)c1ccsc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1	783486163	LUIIZSKYNXWJQD-CQSZACIVSA-N	423.494	3.850	10	20	HHCD	
CCc1cccc(S(=O)(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1	788089874	IUPVCGGJSFLUGO-UHFFFAOYSA-N	423.538	3.542	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	781597630	OCCGOXLRBALJQS-UHFFFAOYSA-N	400.435	3.550	10	20	HHCD	
CC(C)N(C)C(=O)[C@H](C)OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	781986997	HVSCETSIPBORMU-LBPRGKRZSA-N	413.857	3.528	10	20	HHCD	
Cc1nc(-c2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc2)n[nH]1	784062719	SYANOYOGEJUTNZ-UHFFFAOYSA-N	418.501	3.667	10	20	HHCD	
O=C(NC[C@H]1CCCN(c2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	789314377	IWDCTQZSJHXVHE-OFNKIYASSA-N	423.557	3.999	10	20	HHCD	
CN1C(=O)/C(=C\c2cnn(Cc3ccc(F)cc3)c2)c2cc(Br)cnc21	794878672	OUTYHJUJNMGGLV-FMQZQXMHSA-N	413.250	3.745	10	20	HHCD	
CCOC(=O)c1cccc(OC[C@H](O)CSc2ncc(-c3ccccc3)n2C)c1	798020490	AQNQQCWSDAJIGL-SFHVURJKSA-N	412.511	3.796	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCCC(F)(F)C1	799901466	DOPWKBFONZSBSI-ZDUSSCGKSA-N	406.395	3.984	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cncc(OCC(F)F)c1	1319290982	IPOWQHFXFCORIE-UHFFFAOYSA-N	415.234	3.856	10	20	HHCD	
O=C1Nc2ccccc2[C@@H]1C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	1337026940	YGUCBLYKWQCNLU-QHCPKHFHSA-N	409.505	3.610	10	20	HHCD	
CC(C)(C)OC(=O)Nc1cc(NS(=O)(=O)c2cccc3nonc23)ccc1F	1260441825	AMIMXKPVUFTCDH-UHFFFAOYSA-N	408.411	3.510	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCC1CCN(Cc2ccccc2)CC1	150183142	FRUOGXHJAJWRLT-UHFFFAOYSA-N	406.574	3.998	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(=O)n(CC)c(S)nc3c2)cc1	9932605	ZZYWMAFTQVCBBW-UHFFFAOYSA-N	424.570	3.824	10	20	HHCD	
COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(O)c(O)c(OC)c2)c(OC)c1	21360503	JNOPUSACGSCNMH-JOCHJYFZSA-N	422.437	3.895	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S	33739016	DIJHYAQHYOQTLJ-IXSXMTFLSA-N	406.485	3.997	10	20	HHCD	
COC(=O)[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc21	609511087	DAZGSEBYKGJGMM-HXUWFJFHSA-N	424.460	3.851	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)n(-c2ccccc2C)n1	472771362	CPGOVIVZJAWGNP-UHFFFAOYSA-N	415.497	3.544	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2cccnc2)nc1	802610399	XZZCLRLJXONQEH-UHFFFAOYSA-N	420.469	3.742	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)C2CC2)cc1	804682976	PXPMUYNVRWEUPI-HSZRJFAPSA-N	405.542	3.901	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(Cc2ccccc2)cs1	806846741	VYYCMYORMRXSNX-UHFFFAOYSA-N	422.554	3.787	10	20	HHCD	
CN(C)C(=O)CCN1CCC(N[C@H](CCc2ccccc2)c2ccccc2O)CC1	815578199	JPEUJKLJEFDYLH-HSZRJFAPSA-N	409.574	3.598	10	20	HHCD	
CN(C)c1ncn(-c2cccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)n1	810156483	IASKBGQFWIGMIY-UHFFFAOYSA-N	421.505	3.844	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1O	815562969	QNJBXXFPGXMPAZ-GDBMZVCRSA-N	421.463	3.964	10	20	HHCD	
COc1ncccc1CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	810487496	ZUPGOXVGAGDJCI-UHFFFAOYSA-N	403.442	3.803	10	20	HHCD	
COc1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c([N+](=O)[O-])cc1O	726607761	AAJAXCBIQMZJTN-UHFFFAOYSA-N	423.416	3.669	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(N3CCOC3=O)cc2)cc1	728837585	UEPQUQNEUNVCMC-UHFFFAOYSA-N	421.419	3.914	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3nc4c(s3)CCCC4)cc2F)CC1	730110914	WPVRKSMOMLZGAI-UHFFFAOYSA-N	417.554	3.625	10	20	HHCD	
CCCCCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	734688318	LWJPRJJCHDVEOR-FQEVSTJZSA-N	402.583	3.679	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc3ccc(C)nc23)cc1F	731408472	MLGSQGITUPFAQF-UHFFFAOYSA-N	408.477	3.783	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4ccccc4CC3)cc2F)C[C@H](C)O1	734942942	TTZGCFPIWFLJKN-ROUUACIJSA-N	411.521	3.750	10	20	HHCD	
Cc1cc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c(C)n1-c1ccccn1	914907214	SNRFRCRVJVBOAE-UHFFFAOYSA-N	408.845	3.507	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCNC(=O)c3cccc(C)c3)c2C)cc1	918679964	FYNGOKZOUJEHPB-UHFFFAOYSA-N	405.498	3.571	10	20	HHCD	
COc1ccc(-c2noc(CCCC(=O)NCc3c(O)ccc4c3CCCC4)n2)cc1	743717702	WUVDSESKCQPGSJ-UHFFFAOYSA-N	421.497	3.969	10	20	HHCD	
C[C@@H](c1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1)N1CCOCC1	741067188	IGBMNIVTYWUZBM-IBGZPJMESA-N	406.530	3.778	10	20	HHCD	
CN(Cc1cnn(C)c1)C(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1	917205220	QFLUIGJMNWOZPE-UHFFFAOYSA-N	421.526	3.676	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)cc1F	747754963	IXZUQEOYNXEKBT-UHFFFAOYSA-N	413.827	3.858	10	20	HHCD	
CCN(CCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1	918196810	GCZKFHXXLHNTNC-UHFFFAOYSA-N	424.589	3.611	10	20	HHCD	
Cc1cc(CCNC(=O)Nc2cccnc2N2CCOCC2)c(C)n1-c1ccccc1	919777319	IZKLRYLWSZCZCA-UHFFFAOYSA-N	419.529	3.690	10	20	HHCD	
CCc1nnc(-c2ccc(NC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)o1	747552769	CYNOVQLGEJWMBB-UHFFFAOYSA-N	407.474	3.662	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2F)C[C@@H](C)O1	758339106	QQCLSHJPXDNPCG-BETUJISGSA-N	420.416	3.808	10	20	HHCD	
CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751931054	LLSFWRHQVKHEQL-YOEHRIQHSA-N	401.532	3.653	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc(I)c1O	755494383	WHIWZHCZQQHUGR-UHFFFAOYSA-N	411.239	3.755	10	20	HHCD	
CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	757624121	QXZVMFKHFZQFQV-KGLIPLIRSA-N	407.492	3.691	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)c1O	750058871	ZIPMGLXZCQZJRV-MRXNPFEDSA-N	400.906	3.890	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1csc(-c2cnccn2)n1	754549224	WCUAMDVSYGPVMJ-UHFFFAOYSA-N	412.430	3.628	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(Br)c3F)c2)CC1	757962203	ZTIOPCJFXSWSOW-UHFFFAOYSA-N	420.282	3.542	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3SC)CC2)cc1F	753856144	AAUPPASELKBULF-HNNXBMFYSA-N	403.523	3.705	10	20	HHCD	
COCCCOc1cc(C)ccc1CNC(=O)N[C@H](C)c1cc(OC)ccc1O	755240796	LMJCHMNPABOFTL-MRXNPFEDSA-N	402.491	3.685	10	20	HHCD	
COCCCN(C)CCN[C@@H](C)c1cc(Br)cc(Br)c1O	756608402	AWGFDHBGNGVSOV-NSHDSACASA-N	424.177	3.536	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3OC)OCO4)SC2=S)cc1	758814417	FRKMUNTUWQOYEW-IUXPMGMMSA-N	401.465	3.838	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C(=O)c2ccc3c(c2)CCC3)cc1	751402982	AWDJWHXETPDDPF-HSZRJFAPSA-N	406.526	3.632	10	20	HHCD	
CC[C@H](OC1CCCCC1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	760521443	VHAURTYRKAAWDK-QFIPXVFZSA-N	405.558	3.712	10	20	HHCD	
COc1cccc(O)c1CN1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1	768532443	KCYAKGSIKUXNPH-KRWDZBQOSA-N	408.502	3.638	10	20	HHCD	
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3ccc(O)c(O)c3)cc12	768914820	LGZDTLBZIYEDIM-UHFFFAOYSA-N	411.458	3.935	10	20	HHCD	
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N(C)Cc2ccccc2O)cc1	768034885	PTUILJFEECFPHL-UHFFFAOYSA-N	420.513	3.781	10	20	HHCD	
CN(C)Cc1ccsc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761982477	MCFOUKSMGUQUNV-QGZVFWFLSA-N	407.967	3.563	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1C	764467656	CDPASNNUDSAAKD-RDPSFJRHSA-N	422.617	3.543	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CCCC(=O)c3ccc4c(c3)OCCO4)ccc21	766642625	YRGNTVVVNVBKQP-UHFFFAOYSA-N	408.498	3.510	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)c3ccc(F)cc3F)cc2)CC1	774923041	ZQSKVZHKJBIUAX-MRXNPFEDSA-N	415.484	3.695	10	20	HHCD	
COc1ccc(N2CCC3(CC2)Nc2ccc(Br)cc2C(=O)N3C)cc1	771100335	KDLMHHXAFLUNDI-UHFFFAOYSA-N	416.319	3.952	10	20	HHCD	
Cc1cc2c(N3CCC[C@H]3C(=O)NCc3ccc(N4CCCC4)cc3)ncnc2s1	770815793	GUKQQOHVTRGBKY-FQEVSTJZSA-N	421.570	3.885	10	20	HHCD	
CCN(CC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1)C(=O)OC(C)(C)C	779526436	ULHIPDUTPSXITB-CLFYSBASSA-N	404.507	3.607	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNc1ccccc1C(N)=O	774090807	UOPXULCSRGSGCB-KRWDZBQOSA-N	403.482	3.693	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)cc1	776900219	QIFMTARDGNKIKN-KKSFZXQISA-N	413.493	3.936	10	20	HHCD	
CN(C)[C@H]1CCN(c2ccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2)C1	772965962	WJEPXRUGWIFORC-FQEVSTJZSA-N	424.549	3.733	10	20	HHCD	
C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	775407810	WUDOJBBYTJWYOU-DBZAVIBRSA-N	403.482	3.994	10	20	HHCD	
CC[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(N(C)C)cc1	773002815	YXSWFCDZJQETGW-DEOSSOPVSA-N	408.590	3.819	10	20	HHCD	
Oc1cc2c(cc1CNCc1ccc(Cl)cc1I)OCO2	775028322	PIVNMDFIUGYKSF-UHFFFAOYSA-N	417.630	3.669	10	20	HHCD	
CC[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1cc(Cl)ccc1O	775489131	NENHGUSFGVOZEL-OAQYLSRUSA-N	404.938	3.998	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1	773747530	BAHZQRXKKAXYTR-INIZCTEOSA-N	404.466	3.735	10	20	HHCD	
COc1ccc(CN2C(=O)/C(=C\c3cc(Br)nn3C)SC2=S)cc1	779202343	AJQKZUQEFIGHFV-NTUHNPAUSA-N	424.345	3.593	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc(-c4cnc(C5CC5)nc4N)no3)ccc21	771459615	TYRGYGLJJLUILD-UHFFFAOYSA-N	404.474	3.871	10	20	HHCD	
Cc1ccc(CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)cc1C	788940567	XEDPOBPMGLIKMF-UHFFFAOYSA-N	405.542	3.711	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC1	780297066	GICGBGNDIIISTC-IBGZPJMESA-N	416.566	3.876	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2cccc(N(C)C)c2)cc1	789963728	LMRXYAJWVCTARH-XMMPIXPASA-N	409.574	3.959	10	20	HHCD	
CCC[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)sc2C1	789743012	BZAYBIUJJCMZII-GJZGRUSLSA-N	414.575	3.930	10	20	HHCD	
COc1ccc(CNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c(O)c1	794383367	LPKIGUXTSGCJKL-UHFFFAOYSA-N	424.457	3.779	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c(O)c1	797615447	HVWIEHUJMIZVEC-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
OC[C@@H](NCc1cc(Br)ccc1O)c1ccccc1OC(F)(F)F	793349174	QZBDYQNACGAWHM-CYBMUJFWSA-N	406.198	3.877	10	20	HHCD	
CC[C@H](NCc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccc(F)cc1O	796725985	FTRXVHRNRXQPQD-INIZCTEOSA-N	400.541	3.864	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1	793608620	JAUVUPWGGZFYPX-GOTSBHOMSA-N	423.557	3.526	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCc3ncnn3C(C)(C)C)cc2Cl)C1	799994976	SVQDCIVXMVGSGF-HNNXBMFYSA-N	418.973	3.922	10	20	HHCD	
COc1ccc(CNC(=O)NCCc2cc(Cl)ccc2Br)c(O)c1	793010369	QOHUXLJIVOQQIC-UHFFFAOYSA-N	413.699	3.859	10	20	HHCD	
COc1cccc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1F	795359952	IMBHPJRLYYYWLK-HOTGVXAUSA-N	418.484	3.836	10	20	HHCD	
CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc3oc4ccccc4c3cc2O)cn1	792716222	WHUUIXOOUSZBJA-XBBWARJSSA-N	409.511	3.814	10	20	HHCD	
Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1cccc(F)c1	15447832	FGIBGCFILVNSEM-UHFFFAOYSA-N	418.472	3.784	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccco4)C3=O)c2C)cc1F	16401629	QHZATUPMQWOLNC-QHCPKHFHSA-N	423.444	3.785	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F	109662850	CIBZRYHHHHCZGK-UHFFFAOYSA-N	421.398	3.763	10	20	HHCD	
O=C1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CN1Cc1ccccc1	98076257	CJAACTBCBDNEFV-HXUWFJFHSA-N	404.466	3.563	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc(N2CCOCC2)cc1	145724250	DEAXDZZPHWLNNQ-QGZVFWFLSA-N	419.481	3.860	10	20	HHCD	
Cc1cc(-c2nc(COCc3ccccc3)no2)ccc1NC(=O)C1=S=CC=C1	547067379	DNAVHTTXUUIJAV-UHFFFAOYSA-N	405.479	3.978	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1N1CCCCC1	807513361	MFZYBBPFARCITR-UHFFFAOYSA-N	422.312	3.944	10	20	HHCD	
CCSCc1cccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1	807385498	LVAMSTVWKOSKFW-UHFFFAOYSA-N	423.332	3.663	10	20	HHCD	
CC(C)CN(Cc1ccccc1F)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807291753	ZZHGDGAQMOMVSP-UHFFFAOYSA-N	409.505	3.503	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)c(C(F)(F)F)cc1F	804288992	KNHWRVHVEOMHDJ-UHFFFAOYSA-N	400.347	3.750	10	20	HHCD	
Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C(=O)NCCCSc2nccs2)cc1	806275927	ZSUUOOJJBGNXPA-QZTJIDSGSA-N	417.600	3.845	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(N2CCCNC2=O)cc1	812944717	NZWSTUOGJMVXIR-QGZVFWFLSA-N	421.545	3.549	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)[C@@H]1OCCc2sccc21	815952898	YLRGZDFDRHLTQB-BUXKBTBVSA-N	423.918	3.559	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc([C@H]4CCOC4)cc3)cc2)CC1	815480229	NOVGSJBBNVAJAC-NRFANRHFSA-N	421.541	3.682	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NCc1ccc(N2CCOCC2)c(F)c1	813787930	QZPZPYQMBHPGJX-HXUWFJFHSA-N	419.541	3.542	10	20	HHCD	
C[C@H](N[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)cc1	815082167	CCPKNCGSKIAVQD-YZZKKUAISA-N	411.521	3.675	10	20	HHCD	
COc1ccc([C@@H](O)C2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1	812876386	CRRJJRZRIYUMGR-XMMPIXPASA-N	423.557	3.951	10	20	HHCD	
O=C(C[C@H](c1ccccc1)c1ncc[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1	816922074	QEFYCULMZOXKLT-LEWJYISDSA-N	405.498	3.845	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1	727601238	OXNSSMXINQYYPU-UHFFFAOYSA-N	422.573	3.945	10	20	HHCD	
NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	727232130	XNRCPPKJGCGBCI-INIZCTEOSA-N	407.474	3.545	10	20	HHCD	
COCCN(CCN(C)C)C(=O)c1cc(C)n(-c2ccccc2Br)c1C	729433974	VJOCOSAWKSJSQA-UHFFFAOYSA-N	422.367	3.507	10	20	HHCD	
COc1cccc(CNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1O	729859094	IDAYHGHXGOSYOT-UHFFFAOYSA-N	409.339	3.674	10	20	HHCD	
COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1	727245982	FAVIBYDCMWWZNW-UHFFFAOYSA-N	420.537	3.948	10	20	HHCD	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)cc21	734740532	PCBZXEQAFJFXIT-UHFFFAOYSA-N	417.487	3.659	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	735112767	JFDFOUFVGMMTDO-QGZVFWFLSA-N	418.488	3.741	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1	734468232	RJQDYIAJGVVGGD-JCMHNJIXSA-N	403.482	3.741	10	20	HHCD	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	738300271	SXABNOOGBPKOSF-LJQANCHMSA-N	421.541	3.921	10	20	HHCD	
CNC(=O)CCOc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731109457	SGCJLNFUFWALOV-UHFFFAOYSA-N	424.545	3.760	10	20	HHCD	
O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)NCCCSc1nccs1	736680776	UJAWWVFYEPAUBR-UHFFFAOYSA-N	420.585	3.573	10	20	HHCD	
CN(C)c1ccc(CNCc2cccc(OCCN(C)C3CCOCC3)c2)cc1F	733327403	VVQINYANNOHDFF-UHFFFAOYSA-N	415.553	3.671	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2Cc2ccc(C)cc2)c1	733300215	LAKYTXWYRNXPLD-RUZDIDTESA-N	422.569	3.943	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cc(OC)c(OC)cc2OC)cc1	918186768	KCTSQWZUVMAZLM-UHFFFAOYSA-N	401.507	3.558	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cc2)C1	918118238	PQMCNMSYDGLQTA-XRXFAXGQSA-N	412.578	3.546	10	20	HHCD	
COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc2O1	913267516	CKPBORLUTQGZCM-NRFANRHFSA-N	408.429	3.814	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)N[C@@H](C)c3cc(OC)ccc3O)n2)c1	743706363	ZMULQHHNQAFGAL-STQMWFEESA-N	412.446	3.581	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cccc(OC(F)F)c3)CC2)cc1	747094292	FDUPYFULIWWBKF-UHFFFAOYSA-N	405.489	3.599	10	20	HHCD	
COc1ccc(NC(=S)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	743015625	LUZDXVPFTKHBSW-CQSZACIVSA-N	408.474	3.647	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1sccc1Br	746733266	REGKPORVXWQZFZ-UHFFFAOYSA-N	424.364	3.689	10	20	HHCD	
C[C@@H](CCc1cccn1C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743661166	WGUGUPNJIOQPEL-DLBZAZTESA-N	420.504	3.916	10	20	HHCD	
Cc1noc([C@H]2CCCN(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)C2)n1	747298538	FCCWNJKNOPNPCH-FQEVSTJZSA-N	407.518	3.917	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)cc2F)CC1	745808413	LHVNWKVWSMAICP-JPYJTQIMSA-N	410.537	3.870	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCO[C@@H]4C[C@@H](N(C)C)CC[C@H]43)c2C)cc1	749547754	ZAQYSMCYVPAJDC-QQKQFIJSSA-N	409.574	3.769	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)[C@@H](C)c3cccc(C(F)(F)F)c3)nc12	746125634	BDKYEACHPQAMPK-LBPRGKRZSA-N	422.407	3.823	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1c1ccccc1	743555458	YYYBCRRKICCCJS-WIYYLYMNSA-N	411.521	3.998	10	20	HHCD	
COC(C)(C)C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	743555042	OTALWEBXLFZKAL-AWEZNQCLSA-N	417.472	3.545	10	20	HHCD	
O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)NCc1ccc(N2CC=CC2)cc1	740902263	PQMIHHMUFAPLIB-UHFFFAOYSA-N	418.541	3.688	10	20	HHCD	
Cc1cc(O)c(CNCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1C	742367368	QKDVJVNEDIBMJA-INIZCTEOSA-N	402.560	3.719	10	20	HHCD	
CSCc1noc(CCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1	746822619	SDZZRTLLZHLYMR-UHFFFAOYSA-N	414.531	3.753	10	20	HHCD	
COC(=O)c1sc2nc(/C(Cl)=C\C3=S=C(C(C)C)N=C3)nc(O)c2c1C	758427285	XRISNBUQPLWMCX-BJMVGYQFSA-N	409.920	3.848	10	20	HHCD	
C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc(N2CCCC2)cc1	752148439	HPGCXIPMXOGITQ-HKUYNNGSSA-N	416.566	3.732	10	20	HHCD	
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1NC(=O)OC(C)(C)C	757634771	MSFGDYWXNVEQTB-WMZOPIPTSA-N	422.545	3.727	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	756191099	YIBKPQVDVZZUGV-UWJYYQICSA-N	407.514	3.758	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1C(=O)N(C)C	751555178	IHEPUMJQLAYWRA-UHFFFAOYSA-N	412.559	3.572	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@H](O)c1ccc(Cl)cc1Cl	759603261	SHFKMAODGHZSAC-CYBMUJFWSA-N	406.360	3.965	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(Br)cc2C)SC1=S	759116443	GOCAELXTWDCTPM-UKTHLTGXSA-N	414.346	3.912	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(N[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)CC1	756511032	KYQIKIAVSBHNLD-HNAYVOBHSA-N	412.505	3.912	10	20	HHCD	
COc1cc(C)cc(CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c1O	754726715	SCKUSZSDQVEOAJ-UHFFFAOYSA-N	409.313	3.974	10	20	HHCD	
COc1cc(N2CCN(Cc3c[nH]nc3-c3cccc(C)c3)CC2)cc(OC)c1OC	761219991	RCJBZSNOAOMJNE-UHFFFAOYSA-N	422.529	3.733	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1	765119698	ZPXRBMNWAMJHPG-BRWVUGGUSA-N	420.550	3.694	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCc2c(F)cc(F)cc2C1	765678546	LLLBNGSFIXSWHQ-UHFFFAOYSA-N	403.498	3.786	10	20	HHCD	
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)c(C)n1-c1ccc2c(c1)OCCO2	767063682	YBDSOFZIANDGCH-UHFFFAOYSA-N	422.441	3.730	10	20	HHCD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	765363038	OZPNGISMPFWBFB-HXUWFJFHSA-N	411.502	3.659	10	20	HHCD	
COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1O	764102716	UNGCHSVHBQLCNU-UHFFFAOYSA-N	407.426	3.851	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(C(F)(F)F)ccc1F	761251537	CTABYSJIEDMXOJ-UHFFFAOYSA-N	412.383	3.726	10	20	HHCD	
C[C@@H](N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1O	768279498	ZIYMSOPPLLVUCH-TZMCWYRMSA-N	423.391	3.771	10	20	HHCD	
Cc1cccc(CN2CCCC[C@H]2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	1116020224	KHCZBVIJHRPDOG-VWLOTQADSA-N	421.585	3.845	10	20	HHCD	
COc1ccc(CCC(=O)N2CCCN(Cc3cc4c(cc3O)CCCC4)CC2)cc1	768445687	SYWFNTHNZHXGMY-UHFFFAOYSA-N	422.569	3.947	10	20	HHCD	
CCC[C@]1(CO)CCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	770492918	LTVVYSJBTIPHJW-OAQYLSRUSA-N	411.493	3.593	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1	779502068	CCLCHYQEENISLC-YWEYNIOJSA-N	403.360	3.632	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1	776250572	VWOUKEZAWXJXNZ-NHCUHLMSSA-N	424.589	3.746	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccc(Cl)cc3)C3CCC3)nc12	775378936	NSYJEXAVVGCGPB-LJQANCHMSA-N	414.893	3.896	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1	773000467	PXGUNEDRZWBTEU-IBGZPJMESA-N	415.603	3.788	10	20	HHCD	
COc1ccc(CNCc2cc(Br)cc(Br)c2O)cc1O	776151449	NWWPSQWZEGVKKX-UHFFFAOYSA-N	417.097	3.921	10	20	HHCD	
C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccc(N2CCOCC2)cc1Cl	776805158	CUBVGTYSCVNOFV-MRXNPFEDSA-N	402.926	3.581	10	20	HHCD	
CSc1nc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2s1	773856635	JUNUCKOSGTUVSE-LBPRGKRZSA-N	414.556	3.900	10	20	HHCD	
CCO[C@@H]1C[C@](CO)(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1(C)C	773775464	HMHQINNDAOARNT-AUSIDOKSSA-N	424.501	3.723	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cn(C)nc3-c3ccccc3)cc2F)C[C@@H](C)O1	772240756	MMBBSYKDRZGFJM-CALCHBBNSA-N	422.504	3.770	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H](C)c2c(C)cc(C)cc2O)s1	788588431	MUEJPUPMQFFBDJ-INIZCTEOSA-N	410.605	3.994	10	20	HHCD	
CCC(CC)[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1	788232961	GQRDOTUVOJSWHB-QHCPKHFHSA-N	405.542	3.973	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@@H](c3ccccc3)C3CCOCC3)CC2)cc1	782762123	VATHBGDFOHPKNO-VWLOTQADSA-N	409.574	3.575	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ncccc3Br)cc2F)C[C@@H](C)O1	793118795	RPQJUGLDFOTGBQ-BETUJISGSA-N	422.298	3.527	10	20	HHCD	
CCCCCC[C@@](C)(NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)O	797714268	FWWZVEPNUYQCOT-VGOFRKELSA-N	405.539	3.697	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1c(C)nc2c3cccnc3nn2c1C	796502437	SIYPIPDABXXVBA-UHFFFAOYSA-N	416.529	3.518	10	20	HHCD	
Cc1ccc(N2CCOCC2)cc1NC(=O)NCc1cccc(Br)c1O	797688692	DFYFEYCRCABPMJ-UHFFFAOYSA-N	420.307	3.621	10	20	HHCD	
Cc1c(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1N1C(=O)CNC1=O	793352752	NHWXJGKPYJLAMT-UHFFFAOYSA-N	423.473	3.562	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCOCc1ccccc1	798248918	RDYXWLIMFFDFPF-UHFFFAOYSA-N	412.530	3.982	10	20	HHCD	
Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1c(Cl)ccc2nonc12	1327166032	CZVWIPGKJKCPNJ-UHFFFAOYSA-N	421.848	3.655	10	20	HHCD	
COC(=O)[C@H](CNC(=O)c1cc(C)n(-c2ccccc2C)c1C)Cc1ccncc1	1322666798	VKBFDUPTSYJLMB-FQEVSTJZSA-N	405.498	3.559	10	20	HHCD	
Cc1nc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)co1	1842456426	VDVRFUMHRLZXCY-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C	11577507	QTTPILXSKIZOIR-UHFFFAOYSA-N	414.461	3.947	10	20	HHCD	
O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCCc1ccc(O)c(O)c1	216545118	CSMMMBJJRIRQAB-SNEKZUEESA-N	408.336	3.881	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C	471228867	YFCRGOZOYKCRIQ-OAQYLSRUSA-N	419.525	3.806	10	20	HHCD	
Cc1c(CNC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)n(C)c2ccccc12	509410423	IWXXJFIYTLVUCH-UHFFFAOYSA-N	406.482	3.927	10	20	HHCD	
Cc1c(CNC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)n(C)c2ccccc12	527210553	FVYNDSCVGXGSMP-UHFFFAOYSA-N	420.538	3.935	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H]3C(=O)Nc4ccc(F)cc43)ccc21	555535250	SPAIRZYJFYUVLN-GOSISDBHSA-N	423.488	3.899	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cc(Cl)c4c(c3)OCCO4)SC2=S)cn1	726196954	HURYKZHOOIXCFZ-VGOFMYFVSA-N	407.904	3.733	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c(OC)c1OC	726197130	NHQOHXXPVUHQHK-VBKFSLOCSA-N	416.524	3.551	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	727177275	YOXDNJLSNCDHNA-MLPAPPSSSA-N	413.307	3.940	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1cnn(-c2ccccc2)c1	727249836	BXXXIVBPHQWQOK-UHFFFAOYSA-N	400.460	3.936	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)ccc21	728639343	PNOZKCHLYULXRG-JOCHJYFZSA-N	408.498	3.891	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3nc(C(C)(C)C)cs3)CC2)cc1	729507220	WNOKUAZFSZEHNL-UHFFFAOYSA-N	402.564	3.917	10	20	HHCD	
O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCC(CO)CC2)cc1	729523130	JPAVKUMEGPVLRN-UHFFFAOYSA-N	421.463	3.642	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1	729536215	XKAOIDHZJCAYAV-DNVCBOLYSA-N	414.502	3.714	10	20	HHCD	
CCN(CCc1ccccn1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	729596207	HOOVAUSVHJXKEQ-QZTJIDSGSA-N	414.525	3.609	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc(F)c(F)c4)n3)ccc2N1	731058949	IRJXODCRZZBDLZ-UHFFFAOYSA-N	421.450	3.774	10	20	HHCD	
COc1cccc([C@@H](O)C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c1	731912863	TWIMPJAFQPFZNR-HSZRJFAPSA-N	407.466	3.871	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cccc(C(N)=O)c2)cc1	732114901	PKDCCBXRWSLXOZ-UHFFFAOYSA-N	403.482	3.707	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(OCCNCc3cccc(OC)c3O)c2)cc1	732230595	TZHOCDJEITUKPI-UHFFFAOYSA-N	422.481	3.830	10	20	HHCD	
COC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)o1	734223355	NVUMRYVETNFTPZ-UHFFFAOYSA-N	406.398	3.737	10	20	HHCD	
CCN(C(C)=O)c1nc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cs1	734508830	DPPKSNBCVHRUDZ-UHFFFAOYSA-N	424.517	3.876	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(C)n1-c1ccc(C(C)C)cc1	736270615	LGFXKGNEPJKIPI-AEFFLSMTSA-N	402.560	3.865	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H]3CCCCN3Cc3ccccc3)CC2)cc1	741145796	MHOINIHITGRYMK-XMMPIXPASA-N	407.558	3.789	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C	742058053	ZCYMEURMWKJEDV-HXUWFJFHSA-N	419.566	3.517	10	20	HHCD	
Cc1ccc(-c2ocnc2C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	742080048	PCLFPMLCWZBDRN-UHFFFAOYSA-N	405.498	3.789	10	20	HHCD	
COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c2ccccc2O1	744093546	RJHBSNZRZGVHQT-QFIPXVFZSA-N	420.465	3.684	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Oc1ccc(F)cc1	745891889	HWAHEYPOHYFPCK-OXJNMPFZSA-N	402.466	3.689	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@H]3c3ccccc3)cc2F)C[C@@H](C)O1	748820377	QQGMGVYQELMHPM-SVMVAKDDSA-N	411.521	3.503	10	20	HHCD	
Cc1cc(-c2nnc(N3CCOCC3)n2C[C@@H]2CCCCO2)c(C)n1-c1ccccc1	752852245	FZSVDKNKWMHXNG-NRFANRHFSA-N	421.545	3.758	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1F	753149916	OCERXPPGUPYLRK-QFIPXVFZSA-N	422.545	3.728	10	20	HHCD	
CCN(CC)c1nc2sc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2s1	753639739	AWLYIYBGJLKPJP-NSHDSACASA-N	405.545	3.976	10	20	HHCD	
Clc1cccc(-n2cc(CNCc3ccc(N4CCOCC4)cc3)nn2)c1Cl	754822769	BVMNAJHWBCUYCC-UHFFFAOYSA-N	418.328	3.701	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)cc1	755082236	LRSAIEUMIHKEHC-QGZVFWFLSA-N	420.550	3.740	10	20	HHCD	
COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1	755738534	ZVTSZSYPAXZDGI-UHFFFAOYSA-N	423.541	3.779	10	20	HHCD	
COc1cc(CN[C@H](C)c2cc(Br)cc(F)c2O)ccc1OCCO	756440016	BWGNPPPNXACWBN-LLVKDONJSA-N	414.271	3.524	10	20	HHCD	
COc1cc(C)ccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	757634809	STEBNYAJBKKCJN-IRXDYDNUSA-N	415.509	3.756	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1COc2ccc(Br)cc21	759618041	LBCLASIWBCZRQU-KRWDZBQOSA-N	402.288	3.826	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cc(C)ccc3F)CC2)cc(OC)c1OC	759931456	CDOBQYVOSONUJB-UHFFFAOYSA-N	403.454	3.514	10	20	HHCD	
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C	762001625	UQMNUKDXSKQYNB-UHFFFAOYSA-N	420.531	3.852	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)n2)c(C)o1	764522548	AJGJRJUWLFPRDX-UHFFFAOYSA-N	415.500	3.710	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1nnc(Cc2ccccc2)s1	765218263	PMYUQPQNZDXLTR-UHFFFAOYSA-N	419.304	3.919	10	20	HHCD	
C[C@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1Cl	765359845	RZUQKHLVUBTIJG-KRWDZBQOSA-N	422.978	3.691	10	20	HHCD	
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1cccc(Br)c1O	765751767	SEBYFBSWYGZUHW-UHFFFAOYSA-N	422.229	3.857	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccc(OC)c(Cl)c3)CC2)cc1F	765951090	HTKKNFLPYKCVAO-UHFFFAOYSA-N	407.873	3.528	10	20	HHCD	
CN(C)c1nc2cc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc2o1	766160126	ABHHPCSEVOPFQQ-QGZVFWFLSA-N	410.474	3.813	10	20	HHCD	
O=S(=O)(Cc1ccccc1C(F)(F)F)NCc1cccc(Br)c1O	766200484	LVRSZVHNKRPAII-UHFFFAOYSA-N	424.238	3.793	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)c2)CC1	767382389	FIWFBPDGHAVVFU-UHFFFAOYSA-N	420.557	3.592	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12	770417617	GLIBRRBHXDIJOR-UHFFFAOYSA-N	408.458	3.637	10	20	HHCD	
Cc1cc(CC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c(C)n1-c1ccc(Cl)cc1	770915025	QVZXDLZCVAJHLJ-UGKGYDQZSA-N	402.922	3.744	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CNC(C)(C)COC)sc(C)c1-c1ccccc1	772743790	XBJKDRQIHQEOOK-UHFFFAOYSA-N	404.532	3.853	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(Br)c1	773848392	WLFIIEFCHAUAOH-ZDUSSCGKSA-N	404.308	3.639	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1	774307808	HWPUAZUODNYMQW-OAQYLSRUSA-N	413.518	3.743	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1O	774822696	NZTZKYLNEHZHLQ-UHFFFAOYSA-N	405.426	3.687	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1O	775030384	STHLYBJKLFHLOR-MRXNPFEDSA-N	420.771	3.502	10	20	HHCD	
CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775674725	FGBTXBGXDQSEPC-HOTGVXAUSA-N	418.563	3.712	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(C)n(-c4ccc(F)cc4)n3)CC2)cc1	776886513	ILNNEHSZOKPOAY-UHFFFAOYSA-N	408.477	3.727	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3nc(C)c(-c4ccccc4)[nH]3)CC2)cc1	777585309	BUYUSURJJDPTLF-UHFFFAOYSA-N	422.554	3.835	10	20	HHCD	
COCC(=O)N1CCc2cc(N[C@H](C)c3ccc(Br)cc3O)ccc21	779063656	HPICGWRQAMEXPJ-GFCCVEGCSA-N	405.292	3.863	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1	779518714	FZOYXVMYXDPNAM-YRNVUSSQSA-N	420.509	3.541	10	20	HHCD	
Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnc1Br	783100271	FJFFIMVLDIDUAK-AWEZNQCLSA-N	419.323	3.872	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC2CCC3(CC2)OCCO3)cc1	788446126	QUNPKBRIANOBNV-UHFFFAOYSA-N	414.468	3.967	10	20	HHCD	
CCC[C@H]1CCc2nc(NC(=O)C(=O)NCCCSc3nccs3)sc2C1	789610611	PAHZIMCVBLCDSF-LBPRGKRZSA-N	424.617	3.742	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(C(C)(C)C)cs1	789748283	QURQWSCITPZRNJ-UHFFFAOYSA-N	402.564	3.882	10	20	HHCD	
COCc1c(Br)cccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	789834343	GENKNKQQQUIGNR-LLVKDONJSA-N	409.280	3.759	10	20	HHCD	
CC(C)[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1	797943321	PPTUYEHVFWCQPD-FPOVZHCZSA-N	401.938	3.961	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@H](COC)C1	801862418	QXULORVDZZKHPJ-FXAWDEMLSA-N	409.534	3.613	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1Cc1ccc(F)cc1	802609507	DJUCGVGSGHSPBH-UHFFFAOYSA-N	424.476	3.544	10	20	HHCD	
COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	804365632	LKRBEWDTBANMFR-HXUWFJFHSA-N	408.420	3.970	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](C(F)(F)F)[C@H](CO)C3)c2C)cc1	804391739	RNLIPCWVPVXJBS-HNAYVOBHSA-N	410.436	3.736	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1	804542736	NEGQKMLYPBGJGB-UPVQGACJSA-N	417.553	3.597	10	20	HHCD	
Cc1ccc([C@H]2CCCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	807292194	NVPQLUALNLRSBU-HSZRJFAPSA-N	403.526	3.741	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1	807674501	LZOPPPVKOWOKJF-QTGUNEKASA-N	423.557	3.556	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2Cc3cccc(Cl)c3C2)c1	808205080	XRNPQBLGVGQGHA-UHFFFAOYSA-N	400.906	3.596	10	20	HHCD	
Cc1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1S(N)(=O)=O	808440412	JEAQOKKVSAURRZ-UHFFFAOYSA-N	407.539	3.817	10	20	HHCD	
CCOc1ccc(NCc2cccc(C)c2O)cc1S(=O)(=O)N1CCCCC1	809682554	SYZIAMPRXKENGS-UHFFFAOYSA-N	404.532	3.886	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc([N+](=O)[O-])c1Cl	809913119	VZWMPNJYQNRKPA-UHFFFAOYSA-N	418.881	3.779	10	20	HHCD	
Cc1cc(CCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1Cl	812876993	QBAVEQRYAXRLTM-UHFFFAOYSA-N	405.901	3.666	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@H]2CCCN(C(N)=O)C2)cc1	813650779	BKMHSKJWWWRSKX-MRXNPFEDSA-N	408.506	3.689	10	20	HHCD	
Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)nc(N2CCCC2)n1	813886047	UGFFDSVAYBOYKI-KRWDZBQOSA-N	415.969	3.726	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	814267551	CHDNXYAZTJGCPY-UHFFFAOYSA-N	416.515	3.914	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(Sc4ccccn4)o3)cc2)C1	814290984	VQCINCKVWJGDMS-GOSISDBHSA-N	422.554	3.817	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	916025950	RMXBOKKYWNUDMS-SUNYJGFJSA-N	413.509	3.695	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(OC2CCCC2)cc1	917759720	ZERUCSCTOGYZNK-UHFFFAOYSA-N	402.516	3.645	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1OC	917897709	HSBYHBPXZWNAIL-UHFFFAOYSA-N	424.475	3.776	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCOC3CCCCC3)cc2F)C[C@@H](C)O1	918134175	TWNIYNGYDKUPDY-CALCHBBNSA-N	407.530	3.588	10	20	HHCD	
O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)SC(=S)N1c1ccccc1	920387866	RVLHBAMLLKHBJJ-CXUHLZMHSA-N	400.437	3.772	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1	920926965	TUEPRXCALROVLU-ZDUSSCGKSA-N	422.312	3.646	10	20	HHCD	
COc1ccc(Cl)cc1CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	1116051728	DOTRCTKYQFRAQU-UHFFFAOYSA-N	417.937	3.569	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCCOCc3ccc(OC)cc3)CC2)cc1	1116421804	WZFNDZUZIKROFF-UHFFFAOYSA-N	412.530	3.740	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cccc(I)c2C)c1O	1116811588	ISIJJJKXKWJUEJ-UHFFFAOYSA-N	414.199	3.834	10	20	HHCD	
O=C(Nc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)C1CC1	1317889416	MZUAZRALJFTAJT-OAQYLSRUSA-N	423.513	3.632	10	20	HHCD	
CCc1cc(OCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Cl	1317978647	XGZIMCUGIDHTRL-UHFFFAOYSA-N	420.912	3.698	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc([N+](=O)[O-])ccc1NC	1324085905	BQPULXLLOAUXIK-UHFFFAOYSA-N	408.252	3.767	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2ccn(CCc3ccccc3)n2)cc1)C1=S=CC=C1	1434997748	SJINSNXZILMWBD-UHFFFAOYSA-N	416.506	3.594	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(F)cc2F)cc1	104990715	YLUALPBFUPAVGD-IBGZPJMESA-N	404.457	3.617	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCOc1ccc2c(c1)CCC(=O)N2	109770246	GMBJBKYPUNHHSZ-UHFFFAOYSA-N	409.530	3.845	10	20	HHCD	
CC(C)c1n[nH]c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1Br	111156236	VZOSGLGNOIADJS-CYBMUJFWSA-N	421.339	3.623	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(C)Cc2cccc(C(F)(F)F)c2)n(C)c2ccccc12	554643940	NIABUHFMGZCQBU-UHFFFAOYSA-N	417.431	3.780	10	20	HHCD	
C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCN(C)C(=O)C3)c2C(=O)OC(C)(C)C)C1	801710405	KLSHVYYIBQZNTO-OLZOCXBDSA-N	406.548	3.635	10	20	HHCD	
CC(=O)N(C)C1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	800719549	KZDJLGPYUMHDPU-MRXNPFEDSA-N	420.985	3.729	10	20	HHCD	
COc1cc(OC)c(OC)cc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O	805048192	LAPYPBCOJWBTCP-UHFFFAOYSA-N	415.273	3.724	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ncc(CNCc2ccc(N3CCOCC3)cc2)s1	800224020	GNSSGYWNUPIDLF-UHFFFAOYSA-N	404.536	3.617	10	20	HHCD	
Cc1c(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)n(C)c2ccccc12	471223847	KHIKUYYBQKRSOG-UHFFFAOYSA-N	402.498	3.520	10	20	HHCD	
C[C@H](NCc1ccncc1OC[C@H]1CCOC1)c1ccc(Br)cc1O	806659842	HLAMBXLGXHDWMD-KBPBESRZSA-N	407.308	3.816	10	20	HHCD	
Cc1cc(C(=O)N2CCC(n3cnnc3O)CC2)c(C)n1-c1cccc(C(C)C)c1	816473995	WYABFNSHFBQCGP-UHFFFAOYSA-N	407.518	3.992	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1	813883008	OPNUMJFVPHMHBX-UJAYYQANSA-N	404.507	3.558	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCCN1C(=O)c1ccccc1	729346265	NLSKMKISAJLWDL-HSZRJFAPSA-N	405.542	3.988	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1	729062764	DLZCEHCLFBIRDW-AWEZNQCLSA-N	402.450	3.788	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3C)c(C)n1-c1ccc(F)cc1	728938609	SPLXZMCQQXBEOJ-UHFFFAOYSA-N	420.440	3.792	10	20	HHCD	
CSCc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	731755424	NYSYNKGWWDGRKQ-GOSISDBHSA-N	412.559	3.573	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](CCSC)c1nnc2ccccn12	731278499	DMTMGAYNWQLDKB-KRWDZBQOSA-N	413.547	3.851	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(O)cc1	731037222	XOCMGSGOGQSZFL-UHFFFAOYSA-N	411.502	3.808	10	20	HHCD	
C[C@@H]([C@@H](C)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)S(C)(=O)=O	733311600	WLBCQCYSYFNHMM-CVEARBPZSA-N	402.520	3.794	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1	731345910	LKWRYBFMCZWZDS-IVWUANMUSA-N	407.555	3.546	10	20	HHCD	
COCCOc1cc(C)ccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	916696335	FTXBYZGRKDJXRW-LJQANCHMSA-N	414.502	3.939	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(C(=O)c2cc[nH]c2)cc1	748698776	RHULBGCUMGARCH-UHFFFAOYSA-N	405.523	3.729	10	20	HHCD	
CN(C)CCC1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745903969	KUUFMBVLOLXPGJ-SFHVURJKSA-N	424.536	3.630	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3F)C2=O)cc1	918198797	GVXSQYQYMAPHPC-NVNXTCNLSA-N	411.476	3.774	10	20	HHCD	
CCN(Cc1ccccc1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(C)=O	918034707	VXBFISIVDIYENV-UHFFFAOYSA-N	424.545	3.808	10	20	HHCD	
CCCC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2C)c1C	748379249	WIZYDWWKIUSFTK-NRFANRHFSA-N	410.514	3.920	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1	916699238	FJOZYPMVNUCNFB-UHFFFAOYSA-N	422.388	3.559	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1	748099610	YZEWYCBNTOYIEJ-SQJMNOBHSA-N	420.557	3.523	10	20	HHCD	
CCc1ccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	917713629	SVVFOCGAOCQYBS-IRXDYDNUSA-N	400.494	3.697	10	20	HHCD	
C[C@@H](OC(=O)Cc1ccsc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	917666920	QZRVFWFERXOHCY-CYBMUJFWSA-N	419.458	3.636	10	20	HHCD	
COc1ccccc1[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)N1CCCCC1	918000049	NJRONPZSHCEAJH-JOCHJYFZSA-N	410.562	3.788	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCNC(=O)c2cccs2)cc1	914455318	VETXRZCDQFJVOX-UHFFFAOYSA-N	411.527	3.756	10	20	HHCD	
CC(C)C[C@H]1CCCCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	741081171	MHFSCSVRRAUIHZ-RBBKRZOGSA-N	414.594	3.889	10	20	HHCD	
CCO[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2	745798747	ASFOFIKSRHRJKN-MOPGFXCFSA-N	423.504	3.904	10	20	HHCD	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)n2)c(C)c1	751590369	VBRHLQWGDPFPCF-HNNXBMFYSA-N	418.544	3.694	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1c(C)noc1C	757060979	OAGILIRYLSPGPR-LJQANCHMSA-N	417.529	3.523	10	20	HHCD	
Cc1nccn1CCN[C@@H](C)c1cc(Br)cc(Br)c1O	756507112	BCOMLMOKVJPRCO-VIFPVBQESA-N	403.118	3.773	10	20	HHCD	
C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(C)Cc1ccc(N2CCOCC2)cc1	857759001	WNXHJBIENMIPKA-HXUWFJFHSA-N	422.573	3.582	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CO[C@H]2CCOC2)c(C)n1-c1ccccc1Br	753785820	MHONZPZBORLTMX-CJNGLKHVSA-N	421.335	3.780	10	20	HHCD	
C[C@@H](NCCCn1cccn1)c1cc(Br)cc(Br)c1O	756397624	QVJLRHMASNNTNK-SNVBAGLBSA-N	403.118	3.855	10	20	HHCD	
COC(=O)c1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1Br	755509828	ZIHACRLFGFRAGN-UHFFFAOYSA-N	406.280	3.623	10	20	HHCD	
C[C@@H](NC(=O)NCc1cc(Cl)cc2c1OCC2)c1ccc(N2CCOCC2)cc1	754171169	ZXBSEENUDYUBFC-OAHLLOKOSA-N	415.921	3.672	10	20	HHCD	
CCN(C)C(=O)c1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	754552687	QFZIEHWWJKWEIB-UHFFFAOYSA-N	412.445	3.806	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	758729937	QXIPAZAKAVHNOF-WBVHZDCISA-N	422.545	3.727	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCCCOc3ccc([N+](=O)[O-])cc3)cs2)cc1	751945962	STPKHNQIHRCNNQ-UHFFFAOYSA-N	413.455	3.850	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(Cl)c4ccccc4n3C)CC2)cc1F	753738416	QURPTABWLOGPCZ-UHFFFAOYSA-N	401.869	3.942	10	20	HHCD	
COc1cc(N2CCN(C(=S)N[C@@H](C)c3cccs3)CC2)cc(OC)c1OC	758917882	MZWJCVFIBCKOPT-AWEZNQCLSA-N	421.588	3.532	10	20	HHCD	
COc1ccc(N[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)cc1OCC(=O)NC1CC1	756806239	YCFDQNNMZUZXQG-MLGOLLRUSA-N	400.450	3.858	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cc(Br)ccc1O	756371664	MKFRACKGIGOUJY-MRVPVSSYSA-N	403.198	3.861	10	20	HHCD	
C[C@H](NCCCCN1CCN(Cc2ccccc2)CC1)c1cc(F)cc(F)c1O	756430070	HIRLZRSFSGFYEO-SFHVURJKSA-N	403.517	3.919	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCn3cncc3C2)cc1	750878507	IRUYVBBHMAHHFA-IBGZPJMESA-N	404.514	3.754	10	20	HHCD	
Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ccc(OCc2ccccc2)cc1O	863949035	ZZAXNICXBWKDPR-DEOSSOPVSA-N	402.494	3.953	10	20	HHCD	
Cc1oc2ccc(NC(=O)C(=O)NCc3cccc(Br)c3O)cc2c1C	765903851	OCEVGZMYVGJTSI-UHFFFAOYSA-N	417.259	3.773	10	20	HHCD	
CNC(=O)Cn1nc(NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1C	767995079	MDXUOHSOASASGE-UHFFFAOYSA-N	407.518	3.721	10	20	HHCD	
CN(c1ccccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1	762461232	PHVGDIRJMVGNJX-UHFFFAOYSA-N	421.541	3.905	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O	761356169	NSGNFURTGKDKBE-GOSISDBHSA-N	416.319	3.959	10	20	HHCD	
CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)o1	769906988	UQZZPPANQRPJFY-QGZVFWFLSA-N	406.504	3.677	10	20	HHCD	
Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(Br)c3O)C2)nc1	768535885	DQYAVGSDCYTFTF-HNNXBMFYSA-N	404.308	3.709	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(-c2ccco2)on1	761982029	QAKQBKGSBJPXAI-OAHLLOKOSA-N	401.850	3.688	10	20	HHCD	
COc1cc(O)c(CNc2cc(N3CCOCC3)ccc2Br)cc1OC	864014256	JJLFCBCIDGXDTR-UHFFFAOYSA-N	423.307	3.621	10	20	HHCD	
COc1ccc(-c2ncc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)s2)cc1OC	768197088	NDUGAEOIWISATM-LBPRGKRZSA-N	414.483	3.600	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1	768909663	AFPJBHJVPCURDY-ZHRRBRCNSA-N	404.466	3.749	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1	769878069	ZPAANFUNGDVNDN-XUZZJYLKSA-N	419.569	3.881	10	20	HHCD	
O=C(Nc1ccccc1)NC1CCN(Cc2cc(Br)ccc2O)CC1	769106842	OQIUTWSKJNYQCM-UHFFFAOYSA-N	404.308	3.941	10	20	HHCD	
COc1ccc(C(=O)NCc2cccc(Br)c2O)cc1Br	765737676	VJMYHPQRFICBCW-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
C[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(N(C)C)cc1	766211910	BEEWTQBOWMHHAF-QGZVFWFLSA-N	421.632	3.882	10	20	HHCD	
O=C(Cc1cc(F)ccc1Br)NCc1cccc(Br)c1O	765729039	YACFGAJDQAFJNS-UHFFFAOYSA-N	417.072	3.915	10	20	HHCD	
CC(C)c1[nH]nc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1[N+](=O)[O-]	771255462	ZRXFZFVSUKIKJO-UHFFFAOYSA-N	411.462	3.943	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)Oc2ccccc2Br)c1O	775035403	ZEJAXNXDVRMZSJ-LLVKDONJSA-N	411.252	3.629	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ncccc12	771277053	IOKFKRITXJOBJM-UHFFFAOYSA-N	410.449	3.541	10	20	HHCD	
Cc1nc(CCCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cs1	770355858	MAVUKWIAQJOOGF-KRWDZBQOSA-N	407.967	3.914	10	20	HHCD	
CSc1nnc(CCCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1CC(C)C	776147605	NDOVGOGCBUEXTK-MRXNPFEDSA-N	418.611	3.715	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H]3CC[C@@H](C)C[C@H]3n3cncn3)cc2F)C[C@H](C)O1	1117039580	BXIPGVYQPUUFLP-ITIJKJFXSA-N	401.530	3.550	10	20	HHCD	
Cc1oc2c(CN(C)CCc3cnccn3)c(O)ccc2c(=O)c1-c1ccccc1	770661969	NVGFXTWRGABLQJ-UHFFFAOYSA-N	401.466	3.939	10	20	HHCD	
O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc(N3CCSCC3)cc2)n1	774131838	OQGQLWMWBJKLFX-RTBURBONSA-N	401.536	3.618	10	20	HHCD	
CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779545953	VOQHALQDYLKRFB-GOIHIGBJSA-N	406.276	3.766	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnc(OCC4CC4)c(Cl)c3)CC2)cc1	783956100	DCAKBNQEAUNCIZ-UHFFFAOYSA-N	415.921	3.931	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1Cl	789748449	VTHXNGOXPVJJHM-UHFFFAOYSA-N	403.910	3.790	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3cc(Br)ccc3O)cn2)CCO1	783647753	RPHDRVFYNGKGMM-UONOGXRCSA-N	406.324	3.626	10	20	HHCD	
CCc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N(CC)CC)cc2)s1	788952633	ZVPXIMCUEIMELE-MRXNPFEDSA-N	416.591	3.696	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)COc1ccc([N+](=O)[O-])c(C)c1	797737883	MKRHIFCMBGROLY-UHFFFAOYSA-N	423.263	3.799	10	20	HHCD	
CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)c2)C1=O	794261399	YVJHWLMCAFCHAC-LJQANCHMSA-N	417.469	3.576	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(O)c1	793104156	WJXMCMPVTBVWNU-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2cccc(C)c2)CCCC1	1320275741	XWSMTIQEYVMJNR-IBGZPJMESA-N	411.498	3.509	10	20	HHCD	
COc1ccc(C[C@H](C)N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	1320976190	QWSPEWQTWPSSGZ-RBUKOAKNSA-N	411.546	3.865	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(OC)c1O	207577716	FQLXQKPMKHHREZ-OVCLIPMQSA-N	417.464	3.513	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1	23745290	RVVKOGBSBDIEIZ-UHFFFAOYSA-N	409.917	3.888	10	20	HHCD	
COc1cc(Br)c(/C=C2/SC(N3CCCCC3)=NC2=O)cc1OC	211102136	KDQLQQLZJBFYPY-OQLLNIDSSA-N	411.321	3.923	10	20	HHCD	
COc1ccc(Br)cc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O	40938498	MRUMJWXOGBWVSQ-XYOKQWHBSA-N	416.318	3.524	10	20	HHCD	
C[C@H](NC(=O)NCCSCc1ccccc1F)c1ccc(N2CCOCC2)cc1	140951878	ZZMILQHENZNTMQ-KRWDZBQOSA-N	417.550	3.956	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccc(S(=O)(=O)N(C)C)c1	247986835	ZHVDQKBOADMVBU-UHFFFAOYSA-N	401.576	3.559	10	20	HHCD	
COc1cc(Br)cc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1O	809790222	CXABPVOULYDAEZ-HXUWFJFHSA-N	424.310	3.730	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1	801077747	KHCRYFDDRDMGCA-OAQYLSRUSA-N	423.561	3.981	10	20	HHCD	
CC[C@@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1	807165995	PTHAMZBBDDNCOJ-UYAOXDASSA-N	411.546	3.959	10	20	HHCD	
Cc1cccnc1[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(C)C	805025005	YYDFHDPSRDFXJQ-QFIPXVFZSA-N	422.573	3.756	10	20	HHCD	
CNC(=O)c1cc(Oc2cccc(NCc3ccc(N4CCOCC4)cc3)c2)ccn1	813791001	NCSKDQYGPFUQTP-UHFFFAOYSA-N	418.497	3.682	10	20	HHCD	
CC[C@@H]1[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C(=O)OC(C)(C)C	810112095	IHFGMUPWXMPUQL-WOJBJXKFSA-N	401.551	3.939	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@@H](CCc2ccccc2)c2ccccc2O)CC1	815558801	OOFXIKGLQXCDOD-QFIPXVFZSA-N	416.587	3.860	10	20	HHCD	
CCCN(CCN1CCCCCC1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	812014739	KHRRPZFWJWGKKK-NRFANRHFSA-N	416.610	3.882	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)/C=C\c3ccccc3Cl)CC2)cc1	727448433	KAOGDSCPSPWROY-WJDWOHSUSA-N	406.935	3.861	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)N2CCC(CO)CC2)c(C)n1-c1ccc(OC(F)F)cc1	728913257	PISFYEFSTJCLOI-MRXNPFEDSA-N	406.473	3.971	10	20	HHCD	
CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1F	727654063	HBYLEZYVZJIYLI-SXGWCWSVSA-N	402.472	3.996	10	20	HHCD	
COc1ccc(COCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1	728837089	NEGRMOYVLKPVBQ-UHFFFAOYSA-N	410.436	3.869	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2CN2CCOCC2)cc1F	731402712	GRAFXSNFPONQMD-UHFFFAOYSA-N	414.525	3.826	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCC(C(=O)NCCCOC(C)C)CC3)c2c1	738076748	OMAAZWPIWTYJFU-UHFFFAOYSA-N	414.546	3.697	10	20	HHCD	
CN(C)c1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1F	732959123	QWRZMPLNBSPDFC-ZHZULCJRSA-N	407.445	3.572	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1cnc(Cl)c(Cl)c1	738364481	ATBGKVOKURFBGW-UHFFFAOYSA-N	400.331	3.857	10	20	HHCD	
Cc1cccc2c1N(C(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)CC2	916407135	VDZZQJWCGVBNAZ-UHFFFAOYSA-N	412.401	3.882	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)cc1	746133072	CFJPEZBCQASLKP-IBGZPJMESA-N	400.567	3.513	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnn(Cc4ccccc4)c3)cc2F)C[C@@H](C)O1	918138066	GYHYIIWUOUIACW-HDICACEKSA-N	422.504	3.614	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OCc2ccncc2)cc1	918138824	WYDCBVZUJVWJFM-UHFFFAOYSA-N	421.472	3.566	10	20	HHCD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805059	FQUSIGNPHKZCLZ-AUSJPIAWSA-N	418.440	3.602	10	20	HHCD	
Cc1noc(C(F)(F)F)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	746018116	VWFSKTXPQYOQQN-GHMZBOCLSA-N	415.387	3.685	10	20	HHCD	
Cc1ccc(N2CC[C@H](NC(=O)N(Cc3ccco3)Cc3ccccc3O)C2=O)cc1	745859343	OIAPGOOMXZKGAO-NRFANRHFSA-N	419.481	3.811	10	20	HHCD	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1F	751930190	GEWOCONPYMSIBW-ZDUSSCGKSA-N	413.474	3.948	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)[nH]c2c1C(=O)CC(C)(C)C2	920887747	HXSSSOCFRDFBIH-MRXNPFEDSA-N	409.530	3.806	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	757287358	UKKBUXROSLQBEA-NRFANRHFSA-N	409.530	3.548	10	20	HHCD	
C[C@H](NCCc1cnccn1)c1cc(Br)cc(Br)c1O	756785998	HUTRILTZZNINIU-VIFPVBQESA-N	401.102	3.601	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)oc1C	751126215	IBKJVDIYJSSBKU-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1cc2cc(Cl)ccc2s1	751243861	YMBBRPGFMNKBKO-UHFFFAOYSA-N	422.959	3.870	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc2ccccc2c1	753202623	CKFGTFSTDUYFPB-JPYJTQIMSA-N	415.537	3.961	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755362177	HPLDRIOGXLGYLH-CYBMUJFWSA-N	421.400	3.604	10	20	HHCD	
C[C@H](NCCOC[C@@H]1CCOC1)c1cc(Br)cc(Br)c1O	756564194	RARFECGXBQFCAH-WDEREUQCSA-N	423.145	3.621	10	20	HHCD	
Cc1nc(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)sc1C	763635828	HIXSUUMJYUODCP-HNNXBMFYSA-N	424.517	3.872	10	20	HHCD	
CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H](Cc1ccc(F)cc1)C(C)C	769922632	IHXYGSAVAYGUOU-IBGZPJMESA-N	422.522	3.632	10	20	HHCD	
CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)cc1	765080298	NTCFJKAJESJUGM-QGZVFWFLSA-N	419.616	3.852	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl	765696566	LPZFGTNJJJODBV-OAHLLOKOSA-N	403.910	3.746	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	768684794	DGLCBAFXFDAMBP-QUCCMNQESA-N	403.567	3.648	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H](c1ccccc1)N1CCCC1	760943171	LLKSQJGYSXPARS-LJQANCHMSA-N	413.905	3.647	10	20	HHCD	
CC(C)C[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1nccs1	773147766	GPIBOHIGELZDCT-QAPCUYQASA-N	420.554	3.823	10	20	HHCD	
CCOc1ccc2nc(NC(=O)CN[C@H](C)c3cc(OC)ccc3O)sc2c1	775368676	DOWGVBSFKHCDHD-GFCCVEGCSA-N	401.488	3.699	10	20	HHCD	
Cc1cccc(C)c1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	773398993	AZBFUSXQMAVYOI-UHFFFAOYSA-N	405.521	3.849	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(Br)cc3nc(C)oc23)c1O	776295704	STNQXUGNGDANTI-UHFFFAOYSA-N	406.236	3.935	10	20	HHCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(F)c1	776832029	ADCAFDGYTNVZPW-KBPBESRZSA-N	402.441	3.711	10	20	HHCD	
CC(C)C(=O)Nc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	771864304	STFTXVLGCBAPAI-UHFFFAOYSA-N	401.850	3.609	10	20	HHCD	
CN1C(=O)CCc2cc(/C=C3\SC(=S)N(c4cccc(C(=O)O)c4)C3=O)ccc21	773909986	UFLFBSMLYXESIU-YVLHZVERSA-N	424.503	3.700	10	20	HHCD	
COc1ccc(CNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c(O)c1	794382521	CDPSTRINUXAQGZ-FOIQADDNSA-N	414.502	3.919	10	20	HHCD	
CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2cc(Br)ccc2O)c1	796428917	HVWZCVQSLNPHMR-GFCCVEGCSA-N	413.337	3.844	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cs1	796859818	BUESHQPUDGWIPU-UHFFFAOYSA-N	418.522	3.750	10	20	HHCD	
C[C@@H]1CC[C@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H](n2cncn2)C1	1322179602	YKWKEYZVWWDJPJ-GIYDNNGJSA-N	405.493	3.868	10	20	HHCD	
Cc1ccccc1-n1c(C)nnc1SCC(=O)N(C)Cc1ccc(N(C)C)cc1	7097579	HTQFTFINEQPJCJ-UHFFFAOYSA-N	409.559	3.701	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)NCCc3ccc(C(C)C)cc3)CC2)cc1	108092881	HXBMIQJVDOFHAX-UHFFFAOYSA-N	409.574	3.690	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SC[C@@H](O)Cn1cccn1	726072361	QGFRUFJQPXUOPS-HNNXBMFYSA-N	407.337	3.682	10	20	HHCD	
Cc1nc(-c2ccco2)ccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	726191892	WKQSHHRQOBCVEK-UHFFFAOYSA-N	409.461	3.680	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C[C@@H](C)c3ccccc3F)CC2)cc1	726768133	NFYHMOROBLQZEN-LJQANCHMSA-N	413.537	3.656	10	20	HHCD	
COCCn1c(C)cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1C	727176035	FCSDNKMJPOTZPH-GZTJUZNOSA-N	409.621	3.540	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3cccc(S(C)(=O)=O)c3)cc2)CC1	731104876	FJXSNNNGDQHYLZ-UHFFFAOYSA-N	401.532	3.648	10	20	HHCD	
CCc1cccc(C)c1NC(=O)CN(CC(=O)OC)Cc1cc(Cl)ccc1O	731845032	OFTZIAFGQGJORU-UHFFFAOYSA-N	404.894	3.530	10	20	HHCD	
Cc1cc(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)c(C)n1-c1ccc(F)cc1	734450862	IKCWPZJOZYUYNM-UHFFFAOYSA-N	419.500	3.893	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](CCN(C)C)C(C)(C)C)cc2F)C[C@@H](C)O1	734859088	VCDVEOHIUSILDZ-LLGFUMIMSA-N	422.589	3.605	10	20	HHCD	
Cn1cc(N2CC[C@H](NC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2=O)cn1	735566380	WOZSWTWSSQQQFP-IBGZPJMESA-N	403.446	3.763	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2)NC(=O)OC(C)(C)C)cc1	742751364	SRBGEYYJGVYMSC-LJQANCHMSA-N	401.482	3.888	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Nc1cc(F)c(F)cc1I	743229442	HXZMCPOZTPMDID-UHFFFAOYSA-N	418.181	3.939	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	743339766	YDBFYMJNPJZITI-RTBURBONSA-N	418.534	3.689	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN1c1ncnc2sccc12	743716994	FVTCKSBBLDIXCH-GOSISDBHSA-N	408.527	3.561	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cn2cccc(C)c2n1	743808805	FPEJGKADJVOLDO-UHFFFAOYSA-N	402.292	3.702	10	20	HHCD	
CCN(CC(=O)N[C@H](C)c1ccccc1OC)Cc1cc(Br)ccc1O	743870982	KOWBQQQIPNTNSO-CQSZACIVSA-N	421.335	3.863	10	20	HHCD	
CC(C)[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)NC(=O)OC(C)(C)C	745828135	OMBHFEBXJYIRNV-GOSISDBHSA-N	405.539	3.620	10	20	HHCD	
CCNC(=O)N1CCc2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cc21	746031959	JSXYIFYYLIRRSZ-UHFFFAOYSA-N	407.518	3.701	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1I)c1ccc(OC)cc1	746108741	AAFXGKMRUWPGHR-UHFFFAOYSA-N	410.255	3.765	10	20	HHCD	
CCO[C@H](CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCCC1	747513205	RSAGMAPQJSKNJI-HSZRJFAPSA-N	417.594	3.680	10	20	HHCD	
Cc1cc(CC(=O)Nc2cccnc2-n2cncn2)c(C)n1-c1ccc(Cl)cc1	747650756	ZPXJOCQSSVEPPV-UHFFFAOYSA-N	406.877	3.904	10	20	HHCD	
COC(=O)c1cc2c(/C=C3\SC(N4CCCCC4)=NC3=O)ccc(OC)c2o1	748997257	CBHACKRXONRQKD-YBEGLDIGSA-N	400.456	3.684	10	20	HHCD	
C[C@@H](NC(=O)N(CCO)[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	749557314	DFDLFRCSJJTLPQ-DVECYGJZSA-N	423.557	3.666	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1	755030153	NYMOUFXBMUBLQE-SECBINFHSA-N	410.224	3.954	10	20	HHCD	
C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(Br)cc1O	756592077	ILZZHYNAJKBXQV-XAUMDUMWSA-N	419.363	3.688	10	20	HHCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	758558037	MZBHFYMCJLNQGI-CYBMUJFWSA-N	413.426	3.713	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1F	758882158	RMMHYOMESIOKJG-JLTOFOAXSA-N	421.875	3.520	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1	764156584	GDNCWWJWNCMKSN-PBHICJAKSA-N	404.507	3.615	10	20	HHCD	
Cc1nccn1-c1ccc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	765257698	ZPKBYWOCGUKWAY-PGRDOPGGSA-N	417.557	3.733	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c(C)n1-c1ccccc1	766946938	HKZMUAMYNCHBRT-GMAHTHKFSA-N	406.530	3.598	10	20	HHCD	
Cc1ccc(CN(CC2CCS(=O)(=O)CC2)c2ccc3c(c2)OCCO3)s1	767425729	MLECHTVREGWYOU-UHFFFAOYSA-N	407.557	3.659	10	20	HHCD	
Oc1ccccc1CN(Cc1cn(-c2ccc(F)cc2Cl)nn1)C[C@H]1CCCO1	768163425	YXJCSQRQFRYQDP-GOSISDBHSA-N	416.884	3.947	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4cc(F)ccc4C3)cc2F)C[C@@H](C)O1	768701227	ANRBOMWLASQCEG-HZPDHXFCSA-N	415.484	3.846	10	20	HHCD	
COc1cc(F)cc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	769735451	UMHCHCZZIPMQJS-INIZCTEOSA-N	423.435	3.904	10	20	HHCD	
CC(C)(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)cc1F	769984549	VNMIOOOSYBTCBW-KRWDZBQOSA-N	412.458	3.559	10	20	HHCD	
Cc1cnc([C@H](C)OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)o1	770908256	IYRSSVPBIOJITN-NSHDSACASA-N	406.350	3.585	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1	771725260	XGRIVZVHSURTKF-UHFFFAOYSA-N	409.483	3.709	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cccc(CSC2CCCC2)c1	774362646	BRYXIWCOOMRTKG-UHFFFAOYSA-N	414.527	3.571	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCCC2)cc1	775256414	YTWSPBWGHGULTP-UXHICEINSA-N	422.573	3.801	10	20	HHCD	
CCOc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1O[C@H](C)C(=O)N(C)C	775365663	VRVSPCOSKDSWMH-ZWKOTPCHSA-N	413.562	3.858	10	20	HHCD	
Cc1cc(Br)cc(CNCCCC(=O)N2Cc3ccccc3C2)c1O	776189308	DQUIIKFRTUJJRH-UHFFFAOYSA-N	403.320	3.875	10	20	HHCD	
COc1ccc([C@@H](NCc2cccc(C)c2O)c2cccc(S(C)(=O)=O)c2)cc1	776219616	HEWSBJMDKPQTJX-JOCHJYFZSA-N	411.523	3.992	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)c2ccccc12	777982630	FQIZVAUZWMZMMK-UHFFFAOYSA-N	423.538	3.659	10	20	HHCD	
CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CCN(C(=O)OC(C)(C)C)CC1	779533825	BKQBOSGPGOHESC-CLFYSBASSA-N	404.507	3.749	10	20	HHCD	
CCN(Cc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1)C(C)C	781270404	KNFFWJDBYHSVJB-UHFFFAOYSA-N	422.573	3.838	10	20	HHCD	
CC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	782425186	QMUHFSPLFAMJFT-UHFFFAOYSA-N	419.481	3.716	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](c3ccc(F)cc3)c3ncc[nH]3)cc2F)CC1	783237187	AGKGHYYYJJXHLO-QFIPXVFZSA-N	411.500	3.709	10	20	HHCD	
C[C@@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccccc1O	783502260	AQGRJDUWMYOLQX-MRXNPFEDSA-N	414.502	3.861	10	20	HHCD	
COCCOc1cc(OC)ccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	788150810	BFYJBIAXWPJEGS-UHFFFAOYSA-N	412.530	3.983	10	20	HHCD	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788827855	POEIEZJJCCEUIO-FQEVSTJZSA-N	409.530	3.634	10	20	HHCD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	798083506	ZZMQKTZZPXKNAH-XZOQPEGZSA-N	409.530	3.619	10	20	HHCD	
CC(C)n1cnc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	798971528	TVWWUZBODXTARG-SFHVURJKSA-N	415.538	3.526	10	20	HHCD	
Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	803121026	NIFLRYJAFQHRHA-HNNXBMFYSA-N	416.529	3.770	10	20	HHCD	
O=C(NCc1cccc2cccnc12)C(=O)N(Cc1ccccc1O)C1CCCCC1	804006437	AZISUIHAAVGAPC-UHFFFAOYSA-N	417.509	3.918	10	20	HHCD	
CC(=O)Nc1c(C)ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1C	804225699	QERAURMSEFBJSF-UHFFFAOYSA-N	401.850	3.590	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1	804541028	LOMBIRWTGCEISO-ZWKOTPCHSA-N	417.600	3.659	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)c2nncn2C)c(C)n1-c1ccccc1Br	805418455	XFBCPVTVPWANEC-ZDUSSCGKSA-N	403.280	3.903	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3cccc(-n4ccnn4)c3)cc2F)C[C@@H](C)O1	806132400	VVMAJIIKHROGLH-KSZLIROESA-N	409.509	3.871	10	20	HHCD	
Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n(C2CCN(C)CC2)n1	806333713	MEJJZPFUCNHLJF-UHFFFAOYSA-N	412.321	3.792	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCCCOc1ccc2ccccc2c1)c1ccc(N(C)C)cc1	807678697	YHJVDQCPVFUVIK-SFHVURJKSA-N	419.525	3.668	10	20	HHCD	
CC(=O)C(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1	808484818	SZWZFEBFJMMMMB-UHFFFAOYSA-N	416.886	3.531	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C1(c2ccccc2)CC(=O)C1	810456346	MZKLWCMJYXCCGV-UHFFFAOYSA-N	402.288	3.804	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(C(=O)N(C)C)cc3)cc2F)CC1	813861515	UTUDZKGQOBREMJ-SFHVURJKSA-N	412.553	3.520	10	20	HHCD	
O=C(CCCNCc1ccc2ccccc2c1O)N1CCN(c2ccccc2)CC1	816563250	PVZDCQFLAZRPPP-UHFFFAOYSA-N	403.526	3.764	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1	915329723	IPPWAJHBDUFAJP-UHFFFAOYSA-N	403.548	3.909	10	20	HHCD	
CCOc1ccccc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	920180658	SYDXZUFWFFXGHR-UHFFFAOYSA-N	421.520	3.631	10	20	HHCD	
CN1C(=O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)c2cc(Br)ccc21	1115961526	WHHMTBCTEVGLCK-YBEGLDIGSA-N	417.278	3.942	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1	1116565468	RPPWFCKBWBGHMV-YZGWKJHDSA-N	424.541	3.713	10	20	HHCD	
COC(=O)c1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	1321560084	VUEBOVZYPJJGQZ-UHFFFAOYSA-N	408.420	3.618	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCCNC(=O)NC2CCCCC2)cc1	23354236	SVFIACIFZUDTIE-UHFFFAOYSA-N	402.583	3.903	10	20	HHCD	
C[C@@H](NC(=O)N(C)CCCOc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	141010354	AFOXSMFDBVQPBN-GOSISDBHSA-N	415.509	3.834	10	20	HHCD	
CCOc1cccc(CNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1O	236904397	BVXHRVIDGVRADB-IBGZPJMESA-N	424.463	3.973	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)c(C)n1-c1ccccn1	303613591	CCLAJRCXZGDIHC-NRFANRHFSA-N	402.498	3.757	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)ccc21	482432930	DVAIBAVJCVUQKU-UHFFFAOYSA-N	419.525	3.808	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)n(C)c2ccccc12	573530109	ROCCXYYNHOGGGR-UHFFFAOYSA-N	416.428	3.551	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3COc4c(cccc4OC)C3)ccc21	590676150	JFVMAQDIEZINEB-IBGZPJMESA-N	408.498	3.647	10	20	HHCD	
CC(C)c1cc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n2ncnc2n1	726594225	JZLFSTUOPQLQQN-UHFFFAOYSA-N	402.449	3.930	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1F	726629237	KMFSYFNAIOALMO-VIZOYTHASA-N	406.416	3.854	10	20	HHCD	
COc1ccc(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1	727167849	NFBBHVSTMYFMOL-UHFFFAOYSA-N	400.434	3.830	10	20	HHCD	
CCN(CC)c1ccc(CNCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	729684998	ZZUZVNQKGZCEPL-UHFFFAOYSA-N	415.603	3.723	10	20	HHCD	
CCCNC(=O)CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	732351634	LFTWDRMDOUXPOF-UHFFFAOYSA-N	422.884	3.919	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N(C)Cc1ccccc1	732469530	IBQRXULNMVBLKX-KNQAVFIVSA-N	411.546	3.603	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1	734018095	GOUQUNMJQHWOKT-KRWDZBQOSA-N	423.296	3.629	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3	734405389	FUDWULGGJJPWMW-UHFFFAOYSA-N	424.570	3.797	10	20	HHCD	
CCOc1cc(CNCc2ccc(N(C)C)cc2C)ccc1O[C@H](C)C(=O)N(C)C	734511847	JQVMAZQHYGPUDS-GOSISDBHSA-N	413.562	3.605	10	20	HHCD	
CCOC(=O)Cn1ccc2cc(NC(=O)NCc3ccc(N(C)C)cc3C)ccc21	734649794	LKWPNRDCFCPEMA-UHFFFAOYSA-N	408.502	3.901	10	20	HHCD	
Cc1cccc(-c2ccc(CNC(=O)C(=O)NCc3ccc(N(C)C)cc3)cc2)c1	737079893	UGTKFHRMUZXHDH-UHFFFAOYSA-N	401.510	3.661	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C2CC2)cc1	741428132	URDLSQGGPQUCGA-HXUWFJFHSA-N	416.566	3.730	10	20	HHCD	
Cc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(O)c1	743725140	FTFLMJCICZUZPU-LJQANCHMSA-N	413.518	3.762	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1O	745300394	XYYXOCUYWKPHSP-GOSISDBHSA-N	403.910	3.691	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCc4c[nH]nc4C3)c2C)cc1	745626995	FUOQGZZHXJEAOF-KRWDZBQOSA-N	421.497	3.747	10	20	HHCD	
CCCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	746214689	AFNSISLQTXUJNL-UHFFFAOYSA-N	415.509	3.793	10	20	HHCD	
CC[C@H](C)n1ncc2c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc(C)nc21	750720576	NMKHFMOGMBWORC-SFHVURJKSA-N	421.545	3.820	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)N3CCC[C@H]4CCCC[C@@H]43)cs2)cc1	751938394	ZUERNNOCTBIJTP-APWZRJJASA-N	413.543	3.654	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OCc4ccccc4)nc3)CC2)cc1F	753731228	KSQSPWDRMOYOHX-UHFFFAOYSA-N	421.472	3.771	10	20	HHCD	
C[C@@H](Sc1ccccn1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	754226436	FMFZBOSXXMCYCQ-CQSZACIVSA-N	407.486	3.949	10	20	HHCD	
CCCCn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1CC	758094967	ZQDDEXRPIZJRKM-CALCHBBNSA-N	416.541	3.928	10	20	HHCD	
C[C@H](NC(=O)CCc1cccc(OC(C)(C)C)n1)c1ccc(N2CCOCC2)cc1	758453985	VUNAYWSMMBWGLT-SFHVURJKSA-N	411.546	3.906	10	20	HHCD	
CC1(C)CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)Cc2ccccc21	759288269	UONPIEDBTGLTEY-UHFFFAOYSA-N	411.521	3.790	10	20	HHCD	
CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCCCSc3nccs3)ccc2NC1=O	759586196	ZVUGPYWOMHHJNK-IUODEOHRSA-N	420.560	3.795	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(-c4cccs4)on3)CC2)cc(OC)c1OC	759879469	WCJIXNXWJBOQHW-UHFFFAOYSA-N	415.515	3.751	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(-c4ccoc4)c3)cc2)C1	760377219	RNLDXEINNOVPMW-FQEVSTJZSA-N	403.482	3.578	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CC[C@@H](C(F)(F)F)C1	761047772	XAUUCTQNBLKWDA-QWHCGFSZSA-N	416.399	3.673	10	20	HHCD	
CC(C)CC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	761640581	FQDVDCKQCFSQMN-IRLDBZIGSA-N	414.594	3.889	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1ccc(Cl)cc1[N+](=O)[O-]	761677988	JVNYEHCBORZSLP-UHFFFAOYSA-N	424.240	3.614	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCOc1ncccc1Cl	761781919	YKLJMHHCFUFWJJ-UHFFFAOYSA-N	402.926	3.946	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl	762118351	GCPAMTIXFZAJGC-UHFFFAOYSA-N	410.213	3.572	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H]3CCCc4nc(C)sc43)CC2)cc1	764682884	IWFWSDWVQHONQM-FQEVSTJZSA-N	400.592	3.639	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H]1CCCN(Cc2cccc(F)c2)C1	765737689	VRAPTYLGZUNWCQ-INIZCTEOSA-N	421.310	3.822	10	20	HHCD	
CCCCCn1cc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1	767296841	IVPCRTHLGDLQRP-UHFFFAOYSA-N	413.566	3.560	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c1	769009433	QEYHOMLLLKUABW-NSHDSACASA-N	421.379	3.883	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771416400	GHPCVZQJZRNPSI-IBGZPJMESA-N	424.932	3.934	10	20	HHCD	
Cc1cc2ncc([C@@H](C)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c(C)n2n1	772446931	UHBSYBHKCSZGRO-IXDOHACOSA-N	411.525	3.950	10	20	HHCD	
COc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(I)c1	773013300	KCWAKVZRQPBXLG-GFCCVEGCSA-N	424.282	3.857	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)c1	773046910	HCYIYRMJFHAOCV-DOTOQJQBSA-N	408.502	3.886	10	20	HHCD	
C[C@H](NC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)c1ccc(N(C)C)cc1	773627625	PNGHLDXDKGDOFQ-INIZCTEOSA-N	414.937	3.521	10	20	HHCD	
O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	774504601	IGXAUZUCPIZRQB-LJQANCHMSA-N	408.458	3.842	10	20	HHCD	
C[C@@H](N[C@@H](c1ccc(F)cc1)c1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1	775566409	CSTJQNZMQGLTTG-MWTRTKDXSA-N	412.484	3.975	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@@H]([C@@H]2CCOC2)C1	775726735	YMVYVVXIEUCHTO-GHMZBOCLSA-N	405.130	3.776	10	20	HHCD	
C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)c1ccc(N(C)C)cc1	776240848	XEGYGFYAIADYJJ-INIZCTEOSA-N	404.505	3.865	10	20	HHCD	
CC[C@@H]1C[C@H](CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1	781604460	MAUBTGQFEMDOKO-CRAIPNDOSA-N	414.468	3.754	10	20	HHCD	
O=C(Nc1cccc2c1OCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	782651068	NRFOPTYQSTYZAW-UHFFFAOYSA-N	405.401	3.807	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1	782717649	RWEDPILMWOYDPT-UHFFFAOYSA-N	424.545	3.668	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(CC2CC2)c1)c1ccc(N)cc1	783485669	KDJVPNFMQHOQIF-MRXNPFEDSA-N	403.486	3.608	10	20	HHCD	
O=C(Nc1ccccc1C(=O)OCC(=O)c1ccc(O)c(O)c1)OCc1ccccc1	784631042	MBHXIULREDPWLZ-UHFFFAOYSA-N	421.405	3.886	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-]	791248300	NKPABVVHTDRDKG-UHFFFAOYSA-N	413.474	3.526	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1	798155210	DQGGPFVETKGGKS-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=S)NCC3CCN(C)CC3)cc2Cl)C1	799898872	XMJWUCUPTHXORB-INIZCTEOSA-N	409.043	3.882	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3cc(F)ccc3Cl)cc2F)C[C@@H](C)O1	800870813	WNDSKUGHZPLRTH-ZIAGYGMSSA-N	424.875	3.927	10	20	HHCD	
COC(=O)N1CCC(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	804685911	RTUCWXFQSGDRNW-UHFFFAOYSA-N	417.937	3.885	10	20	HHCD	
O=C(CN1CCC[C@H]1c1cccnc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	805746689	FWZFMMCOAHZDFN-NRFANRHFSA-N	411.461	3.633	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)CC2)cc1	806168185	WSSJGFATSTYIKT-QGZVFWFLSA-N	413.484	3.587	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)CCOCc3ccccc3)CC2)cc1	806683628	MFVMWRLEPXWSKW-LJQANCHMSA-N	411.546	3.959	10	20	HHCD	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806685570	UYQGLJIBKYTHKD-VQIMIIECSA-N	422.520	3.525	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COc1cc(C)ccc1F	807931550	UOKXQXOOKWAQPI-UHFFFAOYSA-N	416.493	3.902	10	20	HHCD	
C[C@H](NCc1ccncc1OCCCN(C)C)c1cc(Br)ccc1O	808718635	PTFGNZMFNSRMEA-AWEZNQCLSA-N	408.340	3.731	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(C(F)(F)F)ccc1Br	811689913	PFMMSCCOBZTYSJ-UKTHLTGXSA-N	411.177	3.929	10	20	HHCD	
CCN(C)c1ccc(CN2CCC(O)(c3scnc3Br)CC2)cc1	815105681	PQVSXPCBRWKILE-UHFFFAOYSA-N	410.381	3.845	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c[nH]c(C(F)(F)F)c1	815835387	RFGBMNJLMPMIQK-CQSZACIVSA-N	401.816	3.787	10	20	HHCD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	815860222	BECRZCXFYKMLEL-YLJYHZDGSA-N	405.498	3.722	10	20	HHCD	
CCC(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	916381803	UKPDISFWFFUHAE-HXUWFJFHSA-N	411.502	3.632	10	20	HHCD	
O=C(Nc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918296664	XMMJVJKJZVDPQF-HNNXBMFYSA-N	423.296	3.845	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CN2CCCC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	920032164	LGROFKUPHDUKHN-UHFFFAOYSA-N	423.296	3.749	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C(N)=O)cs3)c2C)cc1C	920602832	WIEGSZGUBOKTCZ-UHFFFAOYSA-N	410.495	3.911	10	20	HHCD	
COc1cc(CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)ccc1OC(F)F	1319798006	ZDKLNAAGOSSVQD-UHFFFAOYSA-N	423.479	3.820	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1cccc(CN2CCN(C)CC2)c1	1321263525	RTXSVSTVPGMPJZ-UHFFFAOYSA-N	424.589	3.652	10	20	HHCD	
CN(c1ccc(CNC(=O)NC[C@H](CO)CC2CCOCC2)cc1)C1CCCCC1	1324699557	GXVRZKFUCBKZEO-OAQYLSRUSA-N	417.594	3.680	10	20	HHCD	
CCc1c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cnn1-c1ccc(F)cc1	108432894	DUDYQJBGKMVSTC-UHFFFAOYSA-N	422.504	3.935	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(c4ccccc4O)CC3)c2C)cc1	216388147	KJUSXDOAJMRUSI-UHFFFAOYSA-N	405.498	3.771	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccccc1Br	302833486	NLLSTGHEPYVYIM-INIZCTEOSA-N	419.319	3.774	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](c4ccccc4)C3)cc2F)CC1	303322119	RNKUUJNHGTVDQB-NRFANRHFSA-N	410.537	3.667	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1csc(Cc2ccc(F)cc2)n1	437027318	RWFLMIVWUJJJSO-UHFFFAOYSA-N	411.502	3.907	10	20	HHCD	
COc1ccc(Cn2ncc(C)c2NC(=O)c2ccc(C3=S=CC=C3)o2)cc1OC	542163294	ZPRCEMOBXHHKRG-UHFFFAOYSA-N	423.494	3.728	10	20	HHCD	
COc1ccc(CN(C(=O)/C=C/c2cnn(C)c2)c2ccc3nc(C)[nH]c3c2)cc1	726878586	QFNFWMGMGMZHJN-IZZDOVSWSA-N	401.470	3.860	10	20	HHCD	
CCCN1Cc2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(CC)CC)cc3)c2C1	727613279	UBGIEZKNWQSSET-UHFFFAOYSA-N	422.573	3.856	10	20	HHCD	
C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(C(F)(F)F)cc1	728333042	HVVFGJGCUPVWLC-SNVBAGLBSA-N	403.378	3.701	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1	728979789	MXRUBPGNFNHBOD-INIZCTEOSA-N	420.465	3.800	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3nc(C(C)(C)C)cs3)CC2)cc1	729505908	CQNJAEXYMVPIJL-UHFFFAOYSA-N	416.591	3.914	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CCc4c(C)cccc43)CC2)cc1	729587489	UKHIJLSZNYXUPW-XMMPIXPASA-N	422.573	3.502	10	20	HHCD	
Cc1nc(C)c(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	731044098	MUSHHRSEUNHOKC-KBPBESRZSA-N	420.554	3.555	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2Br)cc1F	731408099	FGHCZXOUPVIUHH-UHFFFAOYSA-N	422.298	3.689	10	20	HHCD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN(C)Cc1ccccc1O	732202653	AOZWAENLZONZFZ-UHFFFAOYSA-N	412.408	3.507	10	20	HHCD	
COCCOC1CCN(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)CC1	735077669	DTEKISNPIWTARY-UHFFFAOYSA-N	402.510	3.852	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CN[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1	740740981	IPGZBSSTKXWZHJ-NRFANRHFSA-N	421.463	3.627	10	20	HHCD	
Cc1ccccc1CN1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	740908753	ZGUIJIWTCOEVPV-UHFFFAOYSA-N	404.558	3.835	10	20	HHCD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	741545338	SNZZVZFNPXRUMH-IBGZPJMESA-N	423.557	3.629	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c(C)n1-c1ccc(F)cc1	748067219	IQIUPBHPDFMASY-OAQYLSRUSA-N	414.502	3.749	10	20	HHCD	
CC[C@](C)(NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)C(=O)OC	748785778	FPOPVKLTLGOWOW-IBGZPJMESA-N	407.308	3.928	10	20	HHCD	
Cc1cc(C(=O)CN(C[C@H]2CCOC2)C2CC2)c(C)n1-c1ccc2c(c1)OCCO2	749835240	GDOWZECUZSLXRN-GOSISDBHSA-N	410.514	3.549	10	20	HHCD	
O=C1Cc2cc(CCCC(=O)Nc3c(-c4ccccn4)nc4ccccn34)ccc2N1	751299688	OINUBIXBAMGHAW-UHFFFAOYSA-N	411.465	3.852	10	20	HHCD	
Cn1cnc2cc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc21	753183026	MYJHAACPNAVJTF-OAHLLOKOSA-N	400.429	3.574	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(Oc4ccccc4)ccn3)CC2)cc1F	753737778	DJPYVJHKAOTQGK-UHFFFAOYSA-N	407.445	3.984	10	20	HHCD	
CCn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc(C)n(-c3ccccc3C)c2C)cn1	754450599	SMRKPSBTUIXDND-YKGWIAGDSA-N	424.570	3.565	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3cc([N+](=O)[O-])ccc3O)cc2F)C[C@@H](C)O1	756421275	HGLMOKXWPQLMEI-ZNMIVQPWSA-N	403.454	3.904	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)cc1	756470266	NOIHFVQXMSKPGO-RDTXWAMCSA-N	406.523	3.900	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2ccccc2c1O	756570936	CHSGMIFYAFNBAP-QGZVFWFLSA-N	410.539	3.631	10	20	HHCD	
Cc1c(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cccc1C(F)(F)F	761138320	ZLORNANWPVSISU-UHFFFAOYSA-N	403.404	3.645	10	20	HHCD	
COc1ccc(NCc2cc(Cl)cc(OC)c2O)cc1-n1nnnc1C1CC1	761201778	LJEQFMSXQWXXNE-UHFFFAOYSA-N	401.854	3.528	10	20	HHCD	
COc1cc(Br)cc(CN2CCN(CC(F)(F)F)CC2(C)C)c1O	761225989	LOEGXXZXSPUUFT-UHFFFAOYSA-N	411.262	3.622	10	20	HHCD	
C[C@H](c1noc(-c2ccccc2)n1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761800990	SJPXEOBBQHJGLC-GFCCVEGCSA-N	412.833	3.621	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(c2ccc(F)cc2F)CC1	762002568	VDQIQDYLUKBTFV-UHFFFAOYSA-N	406.816	3.820	10	20	HHCD	
COc1ccc([C@H](OC)[C@@H](C)NC(=O)NCc2cccc(Br)c2O)cc1	764805135	IRKMYANEPYFCIX-KZULUSFZSA-N	423.307	3.739	10	20	HHCD	
COc1ccccc1SCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	764854926	KIIURCUHNQAMFH-KRWDZBQOSA-N	420.962	3.927	10	20	HHCD	
COc1cccc2c(NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc(C)nc12	765472937	UARLDJYJCSAIFO-SFHVURJKSA-N	404.514	3.866	10	20	HHCD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)cc1C(C)=O	766048488	TZKRGFUDCKEYRX-UHFFFAOYSA-N	414.277	3.557	10	20	HHCD	
O=C(Nc1nnc(CC(F)(F)F)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1	766235395	UMMOIQKGYMXIPQ-LBPRGKRZSA-N	416.425	3.562	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(NC(C)=O)ccc3Cl)CC2)cc1	767940574	VOOXHWHKNMBJAN-UHFFFAOYSA-N	401.894	3.706	10	20	HHCD	
COc1cc(Br)cc(CN2CCN(c3ccc(Cl)cn3)CC2)c1O	768252767	OZXSWZBIQARCBB-UHFFFAOYSA-N	412.715	3.534	10	20	HHCD	
O=C(CCc1ccccc1)N1CCCN(Cc2cc(Br)ccc2O)CC1	769134493	MFZDNTGFOVPAJF-UHFFFAOYSA-N	417.347	3.822	10	20	HHCD	
CC(=O)Nc1ccc(F)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	771054992	WXAIZRXJGOFUGL-KRWDZBQOSA-N	419.884	3.538	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3cncc(OC4CCCCC4)n3)cc2)C1	771997323	KGKWSAIVUXOQJN-SFHVURJKSA-N	409.534	3.502	10	20	HHCD	
CSCC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn12	773620060	UNCZWNSDIAWIEI-QAPCUYQASA-N	412.563	3.650	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1O	774842775	ZPPPKCIJMSYYHK-HIFRSBDPSA-N	409.483	3.577	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1	782560655	WWNKXWLXYBPUMS-RTBURBONSA-N	416.566	3.922	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3nc(Cc4cccc(F)c4)no3)cs2)cc1	784672977	VTSMYLPJISABJW-UHFFFAOYSA-N	424.457	3.786	10	20	HHCD	
CN1C[C@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c2ccccc2C1=O	787248977	UZBJLDBCKKQXFB-QHCPKHFHSA-N	405.542	3.941	10	20	HHCD	
COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	788986857	GLRSJOGCYUWKFW-JPYJTQIMSA-N	407.558	3.909	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C(C)(C)C)n[nH]1	791246012	JGOPWPAMZGZRDS-UHFFFAOYSA-N	400.523	3.709	10	20	HHCD	
CCOC(=O)c1csc([C@@H]2CCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)n1	792195770	FKTZVNZFSRAMDM-ZDUSSCGKSA-N	411.867	3.924	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(F)cc1F	792702886	HEFOLWBJAGRAIV-UHFFFAOYSA-N	410.261	3.956	10	20	HHCD	
Cc1nc2ccccc2c(C)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	798297383	UWWSZBFPIWOJOL-UHFFFAOYSA-N	407.489	3.882	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CN[C@@H](Cc3ccc(F)cc3)C(N)=O)cc2Cl)C1	799979522	HBKJBLKNYIQJEH-YWZLYKJASA-N	403.929	3.902	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(C(N)=O)cc3)cc2Cl)C1	800001395	VCQWCQKTVFPHMB-AWEZNQCLSA-N	400.910	3.997	10	20	HHCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1	800047881	RRCNQBNMSWCAAA-UHFFFAOYSA-N	403.891	3.722	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H]3CCC[C@@H](c4cccnc4)C3)CC2)cc1	800218273	NQPNNLVNQZUNTF-FYYLOGMGSA-N	408.590	3.918	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1	800712396	PDRCWLKLSQNEHM-GOSISDBHSA-N	411.980	3.980	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](N4CCCC4)C3)cc2Cl)C1	800720543	UOJVRMKIJBETQT-IEBWSBKVSA-N	404.986	3.956	10	20	HHCD	
CC[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)cc(Cl)c1O	806148146	CVHIMXBXWWQSDK-FZMZJTMJSA-N	424.371	3.636	10	20	HHCD	
Cc1cnc([C@@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)s1	808484768	HEDINGPWKRUZNV-OAHLLOKOSA-N	401.532	3.696	10	20	HHCD	
COCCOCc1ccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1	809145204	ZBQCNYRLPPJXNU-PDGQHHTCSA-N	422.616	3.639	10	20	HHCD	
Cn1cccc1C(=O)N1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1	809543166	OZDUVYZANIBQDR-UHFFFAOYSA-N	414.553	3.546	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCCC3(C)C)cc1	810352968	PJRLZXLRRIFOKW-UHFFFAOYSA-N	414.575	3.858	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(C(F)(F)F)cc1	812829590	HOEWROWTPAHHRW-KRWDZBQOSA-N	417.811	3.773	10	20	HHCD	
CCOC1(C)CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	813590332	KSZZVNJWTWFSIL-IAGOWNOFSA-N	407.530	3.540	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(N2CCCOC2=O)cc1	814443940	QZZYHANHMJRIHD-HNNXBMFYSA-N	414.481	3.799	10	20	HHCD	
O=C(COc1cccc(Cl)c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472806	ODNLMCDMHMQHNI-QGZVFWFLSA-N	409.313	3.859	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCCc2nc(O)c3ccccc3n2)C2CC2)cc1	914437862	LHWVMAYZLHDYGK-UHFFFAOYSA-N	404.514	3.915	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1	916214730	UMWRLAGNLSUQRA-XMMPIXPASA-N	424.589	3.748	10	20	HHCD	
COc1ccc(N2CCCN([C@H](C)C(=O)Nc3nc4ccccc4s3)CC2)cc1	917210921	VRUJVMJBFGSBQM-MRXNPFEDSA-N	410.543	3.844	10	20	HHCD	
Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	917711093	PZZITNJCFOLLFR-OKZBNKHCSA-N	400.494	3.831	10	20	HHCD	
Cc1ccc(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)c1	917711721	UZHIAMIGBHYNJU-QZTJIDSGSA-N	400.494	3.751	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)n2nc(C)cc2n1	919530327	YZVXTLRRGBUGCA-UHFFFAOYSA-N	420.444	3.932	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(CN(C)C(=O)C(C)C)cc3)CC2)cc1	1116419230	BAYUNXLWLXUXDX-UHFFFAOYSA-N	423.557	3.662	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)cs2)cc1	1116546310	XHPGXPDHYPQYPL-UHFFFAOYSA-N	421.522	3.909	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1nc(-c2cccc(F)c2)no1	1320836074	IDWOHTOLYWTWLZ-HNNXBMFYSA-N	413.472	3.617	10	20	HHCD	
Cc1cc(-c2nnc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)o2)c(C)n1-c1ccccc1	1322093306	LSBZDEPBOLPNPD-QZTJIDSGSA-N	404.470	3.819	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cccc(F)c1I	1342953714	YVECMNKAJAXPGT-UHFFFAOYSA-N	417.565	3.872	10	20	HHCD	
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1	5452687	GAIAIZHLYUEDBS-UHFFFAOYSA-N	406.340	3.780	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=S)Nc3ccc(C)cc3C)CC2)cc1	18169105	PWKUPPJAYLDZSS-UHFFFAOYSA-N	412.603	3.811	10	20	HHCD	
Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	141688464	IBROODBQNNJQLN-SFHVURJKSA-N	409.530	3.771	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(C)n1Cc1ccco1	211652185	KBTNYGLAFLTDGB-MHWRWJLKSA-N	404.513	3.812	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	301750161	PFBCUNUGRKOHMV-UNJYKCMZSA-N	409.486	3.882	10	20	HHCD	
Cc1cc(O)c(CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1C(C)C	302936712	JLQLROXIRFAIJI-UHFFFAOYSA-N	420.550	3.906	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(C)nc1-c1ccc(Cl)s1	475941091	OHEQAWLCELWNJD-UHFFFAOYSA-N	402.907	3.907	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccccc3Br)CC2)cc1	726615030	YTGIREXRCXCYBK-UHFFFAOYSA-N	418.335	3.926	10	20	HHCD	
CCC[C@@H]1CCc2c(sc(=O)n2CN2CCCN(c3ccc(OC)cc3)CC2)C1	728045605	USHHUMBWDKRCCV-GOSISDBHSA-N	415.603	3.993	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3cccnc3Cl)ccc21	728638319	DDODIVNQZBQXOJ-UHFFFAOYSA-N	415.877	3.748	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1	729049224	IFMJFUJRYVHDSD-ZIAGYGMSSA-N	412.490	3.806	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H](C(C)C)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1	731017372	XTZQQFDJVVTXKY-JTAQYXEDSA-N	401.595	3.673	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)NCc1ccccc1	731036200	JEAZQVVSUBUJRN-UHFFFAOYSA-N	409.530	3.780	10	20	HHCD	
Cc1cc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c(C)n1-c1ccccn1	732103979	CSECZCNRVGSTRW-HSZRJFAPSA-N	412.534	3.912	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C/c2cccc(OCCCc3ccccc3)c2)SC1=S	732193468	LDRQHMXXFRUYPB-AQTBWJFISA-N	413.520	3.984	10	20	HHCD	
CCN(CC)c1ccc(CNCCNC(=O)c2cccc(Br)c2)cc1	733331639	FWYNWGLPDLGWFN-UHFFFAOYSA-N	404.352	3.815	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Oc2ccccn2)cc1	733849834	FOTPTSZFXIHWIX-UHFFFAOYSA-N	416.481	3.729	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(O)nc3cc(F)ccc23)cc1	739709133	RXWLZDPBXNCLMO-LJQANCHMSA-N	423.488	3.967	10	20	HHCD	
CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1	741136075	BYXCOPJZASPKKX-UHFFFAOYSA-N	415.559	3.546	10	20	HHCD	
O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)N(Cc1ccco1)Cc1ccccc1O	741417712	VYXINOXPRWZMAI-UHFFFAOYSA-N	421.432	3.821	10	20	HHCD	
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2ccc(N3CCCCC3)cc2)cc1	742588445	CATMSCCSHGJAGH-HSZRJFAPSA-N	405.542	3.793	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(N2CCCC2)nc1	742800862	VHUONYYGSUQHNQ-KRWDZBQOSA-N	416.472	3.682	10	20	HHCD	
CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805290	IQZRNIOFIFBEEF-APWZRJJASA-N	423.504	3.554	10	20	HHCD	
CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	743553707	QHACPBGAOVTYAU-NRFANRHFSA-N	417.500	3.868	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1csc(-c2cnn(C)c2)n1	743808778	DHUDITQVJBYNDJ-UHFFFAOYSA-N	421.320	3.674	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1C	744559684	QMWVIBMFFHQKSL-UHFFFAOYSA-N	404.514	3.815	10	20	HHCD	
Cc1csc([C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C2CC2)n1	745863370	JZUJYFJLQKQECS-IBGZPJMESA-N	400.548	3.581	10	20	HHCD	
CCOc1ccc(N(CC)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)cc1	746159467	RYZQQIWCOJGCDE-UHFFFAOYSA-N	401.488	3.505	10	20	HHCD	
Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	747752503	WXSGLZVTASGGDX-UHFFFAOYSA-N	415.509	3.770	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)o1	748091711	GNUAQDGTTDTXFU-UHFFFAOYSA-N	422.484	3.698	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccccc1Br	749186379	OZCSIYCVBOVDON-WMLDXEAASA-N	418.335	3.631	10	20	HHCD	
CCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	749256062	FZBNCCKZPCBTPZ-UHFFFAOYSA-N	404.532	3.529	10	20	HHCD	
CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N(C)C	756432613	JSZLXMKLEZCXSM-RDTXWAMCSA-N	401.463	3.569	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3ccc(C)cc3O)CC2)cc1	756496105	NOMPLZKESICKKN-KRWDZBQOSA-N	402.560	3.814	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CSCCN1Cc1ccccc1	758364859	BXNBAEYWJKFRFL-QHCPKHFHSA-N	424.614	3.704	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c2ccc(Br)cc2n1	762264469	YZSXHCODQWVFFG-UHFFFAOYSA-N	401.260	3.689	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H](O)c1ccc(Cl)c(F)c1	762553386	QTGZJYTVGWYZPC-IBGZPJMESA-N	423.941	3.565	10	20	HHCD	
CC(C)(NCc1ccc(N2CCOCC2)cc1)[C@H](O)c1ccc(Br)cc1	762788112	UOVVKKZXPBCZCS-HXUWFJFHSA-N	419.363	3.888	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1	764558797	RLQTVQKVUVGGPJ-HXUWFJFHSA-N	418.582	3.976	10	20	HHCD	
CCNC(=O)c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	764948158	FXWDPLNUPJZPMG-MRXNPFEDSA-N	401.938	3.777	10	20	HHCD	
NC(=O)CCOc1ccccc1NCc1ncc(-c2ccc(Br)cc2)[nH]1	770529265	SQJQHERTJIIZCA-UHFFFAOYSA-N	415.291	3.706	10	20	HHCD	
Cc1ccsc1CCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	773671112	UWTNPNVZRCKITN-UHFFFAOYSA-N	422.553	3.597	10	20	HHCD	
CC1CCN(S(=O)(=O)Cc2ccccc2CNCc2cccc(Cl)c2O)CC1	776253651	ZKAOPTOTACKKOJ-UHFFFAOYSA-N	422.978	3.897	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cn1	779026993	OGYLIZWEVWHEPW-FQEVSTJZSA-N	424.499	3.717	10	20	HHCD	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	779539245	XPFVFDNTJKECKJ-UGKGYDQZSA-N	411.546	3.567	10	20	HHCD	
C[C@@H](NC(=O)Nc1cn(C)nc1-c1ccccc1)c1ccc(N2CCOCC2)cc1	779626861	GRXOMOIQUVLJPH-QGZVFWFLSA-N	405.502	3.806	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1	780713979	UQCWMFGXEXSDJK-UHFFFAOYSA-N	408.527	3.563	10	20	HHCD	
CC(=O)c1ccc(=O)n(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)n1	783095340	KULZEHMXLOOQEW-UHFFFAOYSA-N	417.387	3.755	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OCCC(C)C	785296837	JFQJGONBCCWZRW-MRXNPFEDSA-N	414.502	3.517	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1	786410876	VHZQRAGAPNXBIH-SNVBAGLBSA-N	409.236	3.871	10	20	HHCD	
CCCN(CCCN(C)C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	786742870	FHYIWAKYTLIBLJ-UHFFFAOYSA-N	412.525	3.630	10	20	HHCD	
COC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1	786797062	QVUDPBURBFYWJV-RXVVDRJESA-N	401.938	3.519	10	20	HHCD	
O=C(OCCO[C@@H]1CCCCO1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	787579348	SYKWCDODIKRQPZ-QGZVFWFLSA-N	414.841	3.815	10	20	HHCD	
Cc1nc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc2o1	791524853	NTVHGQIXZJOTQW-UHFFFAOYSA-N	419.403	3.922	10	20	HHCD	
CCC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1	792052392	SEZGOSIZPWXEQD-OFAXGOBFSA-N	411.546	3.786	10	20	HHCD	
Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	792214830	HHBVLYHZNXUWKB-UHFFFAOYSA-N	419.529	3.895	10	20	HHCD	
CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1	793407196	WTGBZGRQJCFYDV-UHFFFAOYSA-N	421.515	3.948	10	20	HHCD	
COc1ccc(CNC(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)c(O)c1	794378135	XUKPNACVZKSHOB-HSZRJFAPSA-N	407.466	3.720	10	20	HHCD	
CS(=O)(=O)C1(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCC1	796191779	KNAZFLSNDOIVMX-UHFFFAOYSA-N	415.471	3.551	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1F	799564079	SZXKAHYFDZZFSR-MRXNPFEDSA-N	422.545	3.728	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C1CCN(C(=O)[C@@H](C)CSC)CC1	801546758	XSGWXSMBQIARCE-KRWDZBQOSA-N	406.592	3.759	10	20	HHCD	
CCc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	805025795	ULSKGSZCEQXDCK-UHFFFAOYSA-N	407.558	3.760	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21	806846473	PSAPJVGQYLDPSK-TZRRMPRUSA-N	403.526	3.777	10	20	HHCD	
COC(C)(C)C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	807605711	VVMIZVFDPRRKIS-CVEARBPZSA-N	423.985	3.512	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1	809704362	AQZGBIQELLAIDD-WIOPSUGQSA-N	420.557	3.666	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3nc4ccccc4cc3Cl)cc2)C1	810183530	ZTOFLKGFEYFZAW-QGZVFWFLSA-N	422.916	3.520	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)c1O	816659922	HRVQKGBVMXUCSE-UHFFFAOYSA-N	424.856	3.983	10	20	HHCD	
CC(C)Oc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccn1	857456858	QVAHAOQIOHKJHE-MRXNPFEDSA-N	405.445	3.869	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1	875930296	NFWOFWLLDSAZFS-UHFFFAOYSA-N	403.548	3.620	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCNC(=O)OC(C)(C)C)cc1	914455288	TWUZZWUXIYSMKM-UHFFFAOYSA-N	401.507	3.789	10	20	HHCD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)NCCc1cc(C)n(-c3ccccc3)c1C)C2	916220809	CBEPEUWJGRZJEY-OAQYLSRUSA-N	403.530	3.592	10	20	HHCD	
CC(C)CCOC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	916625758	OQXYAVBPVDYHAU-UHFFFAOYSA-N	405.608	3.977	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1OC(F)F	916668720	JAIQZXMDWAMANO-UHFFFAOYSA-N	409.408	3.710	10	20	HHCD	
CN(C)CCOc1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	916834909	UCJXURGZKJVLRY-UHFFFAOYSA-N	412.534	3.815	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1	917307684	RSGIWQWOEDDBRL-OAQYLSRUSA-N	419.481	3.943	10	20	HHCD	
COc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)cc(OC)c1Br	918374507	IVFHQSWDGRNGAV-UHFFFAOYSA-N	421.291	3.555	10	20	HHCD	
C[C@@H]1CCc2c(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)csc2C1	919970536	JZWSHNSOONVUKM-CQSZACIVSA-N	402.535	3.903	10	20	HHCD	
Cc1cccc(OCCCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	920027449	MQUGRNFLSBVHIQ-OAQYLSRUSA-N	423.557	3.562	10	20	HHCD	
COc1ccc(N2CCCN(Cc3cc(Br)c4c(c3)OCO4)CC2)cc1	920086609	DSYHSADLSMBFHD-UHFFFAOYSA-N	419.319	3.899	10	20	HHCD	
C[C@@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(N2CCOCC2)cc1	920866432	CIMKBYHUMYABIP-QGZVFWFLSA-N	404.510	3.969	10	20	HHCD	
O=C(/C=C/c1ccc(I)o1)Nc1c(Cl)ccc2nonc12	1332620332	AXSVSCHESQULNK-QHHAFSJGSA-N	415.574	3.726	10	20	HHCD	
CC(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821291024	OXCBHTIODIDXOX-OAHLLOKOSA-N	420.897	3.826	10	20	HHCD	
COc1ccccc1N(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	108135089	BTCLSNFJIXQYSG-UHFFFAOYSA-N	400.434	3.546	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C)c(C)n1-c1cccc(F)c1	25976743	LSVHSFYMVSMTSJ-AWEZNQCLSA-N	402.466	3.510	10	20	HHCD	
COc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1NS(C)(=O)=O	25599776	XDIVITQLBWMPQU-UHFFFAOYSA-N	413.499	3.727	10	20	HHCD	
CCOc1c(OC)cc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC	64654186	OZYCIHFMGZFANV-UHFFFAOYSA-N	401.507	3.510	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CCc4ccccc4C3)cc2F)CC1	303584265	PYVVZMPGCKRBDG-JOCHJYFZSA-N	424.564	3.667	10	20	HHCD	
Cc1cc(C(=O)NCCCn2ccnc2)c(C)n1-c1ccccc1Br	303512397	BMZBXIZRKFJJHV-UHFFFAOYSA-N	401.308	3.873	10	20	HHCD	
COc1ccc(CCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1OC	303379430	MFEYQJIMCMRXCH-UHFFFAOYSA-N	411.546	3.982	10	20	HHCD	
COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	72083431	ZXKDMBIKSWDOLD-SFHVURJKSA-N	416.953	3.835	10	20	HHCD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccc(O)c(O)c2)o1	216545848	SWXQZKRMOATZMD-UHFFFAOYSA-N	403.438	3.824	10	20	HHCD	
CCCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	142126484	COVHSYQDUPRGQF-QGZVFWFLSA-N	410.518	3.546	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cn[nH]c3-c3cccc(C)c3)CC2)cc1	237274104	HLNCJBHGAMSDBQ-UHFFFAOYSA-N	419.573	3.696	10	20	HHCD	
O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccccc1O	247310139	IDFPKRNZUHMZBT-UHFFFAOYSA-N	418.409	3.922	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)NC(=O)c4ccccc43)ccc21	542149523	DPCGLPHQMOFYGP-HNNXBMFYSA-N	405.498	3.683	10	20	HHCD	
O=C(COC(=O)c1cnc2[nH]c(O)nc2c1)Nc1ccc(N=Nc2ccccc2)cc1	808634927	JOSGKBPZXOJZJD-UHFFFAOYSA-N	416.397	3.874	10	20	HHCD	
COc1ccc2cc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)ccc2c1	806921123	QJTPYJNNHGOZCJ-UHFFFAOYSA-N	404.466	3.688	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1	801551581	OOEDTKIGYWZECF-IBGZPJMESA-N	420.550	3.937	10	20	HHCD	
O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1C[C@@H](CO)c2ccccc21	647153523	XQVPRUCVTNHIAG-FQEVSTJZSA-N	410.477	3.730	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C3CC3)[C@@H](C)C3CC3)cc2Cl)C1	807952833	QELQZQARWJJNKY-HOTGVXAUSA-N	417.981	3.982	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(Br)cc2nc(O)[nH]c12	816914530	UIFZFHPNOSOEOL-UHFFFAOYSA-N	404.264	3.789	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cccc(Cl)c2)nc1-c1ccccc1	727251139	RYEDIRDOUSVRAW-UHFFFAOYSA-N	422.915	3.980	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCS(=O)(=O)c1ccccc1	735887795	WDAMBYKCGAZTFT-UHFFFAOYSA-N	417.575	3.537	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(c3nccs3)CC2)cc1F	731363960	FJPALQUTTSOUEX-UHFFFAOYSA-N	405.543	3.550	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)c1cccc(C(F)(F)F)c1	730823205	GWLNHQOZMPBRGX-IBGZPJMESA-N	407.436	3.838	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)c1	731285546	ZXEKRIVPLONMJB-QGZVFWFLSA-N	419.566	3.575	10	20	HHCD	
O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc(N2CCC(CO)CC2)cc1	919968676	NVOJDHRVKQRIFV-UHFFFAOYSA-N	419.525	3.799	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc4ccccc4c(O)n3)cc2F)C[C@@H](C)O1	918632944	FOTKFUMBQDOBSR-GASCZTMLSA-N	409.461	3.623	10	20	HHCD	
O=C(NCCc1ccc2ccccc2c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	918213551	FTILTCMRYBZHSR-UHFFFAOYSA-N	421.516	3.982	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1	917418157	YVMZZTZZSSHLBU-UHFFFAOYSA-N	402.882	3.917	10	20	HHCD	
COc1cccc([C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)c2nccn2C)c1	914849159	HGGIBZPSSLFADS-QFIPXVFZSA-N	415.497	3.751	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)c2C)c1	749387463	HIAREZDWYANKAF-GOSISDBHSA-N	407.436	3.604	10	20	HHCD	
CCN(CC)CCS[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	742220512	PARMXBWTFBCXEY-HNNXBMFYSA-N	410.539	3.864	10	20	HHCD	
COC[C@H](C)n1c(C)cc(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c1C	916644927	DAYLBCLDEMXHKS-GHTZIAJQSA-N	414.546	3.882	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(F)cc1C(F)(F)F	743958295	QFAABBRLUNCGIS-UHFFFAOYSA-N	410.367	3.684	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c(C)n1-c1cccc(Br)c1	749181137	KNDHPQNPIFKHFH-WMZOPIPTSA-N	418.335	3.631	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(C(=O)NC)c1C	743089075	JOVIGDGFSKCKDO-UHFFFAOYSA-N	420.307	3.877	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OC(C)C)c(OC)c3)CC2)cc1F	753739139	QQFRMGLPFWBKRP-UHFFFAOYSA-N	402.466	3.593	10	20	HHCD	
O=C(COc1ccc2ccc(=O)oc2c1)N(Cc1ccco1)Cc1ccccc1O	920495319	YZXZCYVQOBMRAK-UHFFFAOYSA-N	405.406	3.699	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc(C)cc3F)CC2)cc(OC)c1OC	759929586	XRKQJJBLIJCQCF-UHFFFAOYSA-N	403.454	3.514	10	20	HHCD	
COc1cc(N(C)CC(=O)c2cc(C)n(-c3nccs3)c2C)cc(OC)c1OC	754659021	MRWIQJDJEPRRPE-UHFFFAOYSA-N	415.515	3.896	10	20	HHCD	
C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1O	756481689	FLBJUTNLPNWPRM-NSHDSACASA-N	418.740	3.933	10	20	HHCD	
Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1	753548732	MXMHEYAOHYTMGC-OFNKIYASSA-N	407.514	3.650	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1O	750819638	SHBQGYQIDSSFNW-UHFFFAOYSA-N	404.869	3.735	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1cccn(Cc2ccccc2)c1=O	758627388	CDJYKLVKGPMWJV-UHFFFAOYSA-N	400.529	3.657	10	20	HHCD	
O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754539965	JBEAQMIBUKZCJU-UHFFFAOYSA-N	407.429	3.829	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1O	750817807	VIKTWFGOKXSJTM-UHFFFAOYSA-N	405.539	3.806	10	20	HHCD	
CC[C@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1ccc(OC)cc1	753933616	ORGZFKXURYSPKQ-FQEVSTJZSA-N	401.482	3.826	10	20	HHCD	
Cc1cc(C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(F)cc1	751908228	DHDAGYKIKBREGY-GOSISDBHSA-N	400.494	3.891	10	20	HHCD	
Cc1ccccc1C1(C(=O)NCc2cccc(Br)c2O)CCOCC1	765747463	NYAYTHQOJKHEJF-UHFFFAOYSA-N	404.304	3.828	10	20	HHCD	
COc1cc(Br)cc(CNC[C@](C)(O)c2ccccc2Cl)c1O	764979903	LENINVYDODJEQH-KRWDZBQOSA-N	400.700	3.814	10	20	HHCD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(N(C)C)c(F)c1	768180749	OUYGTNIOAOKAHE-HXUWFJFHSA-N	416.493	3.571	10	20	HHCD	
C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc(N2CCSCC2)cc1	766872700	PJXXIDNMQZNARA-KKSFZXQISA-N	417.550	3.690	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)NCc1ccc(N2CCCC2)cc1	763547261	DOMGTGMOBJHRNP-FQEVSTJZSA-N	413.562	3.940	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)NCc1cccc(Br)c1O	764805221	JJIKDKVNRJQAIT-DIFFPNOSSA-N	411.271	3.869	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1nc(-c2ccccc2)ns1	765254324	WGCDWAOXYDGWQI-UHFFFAOYSA-N	405.277	3.995	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](C)[C@H]3CN(Cc4ccccc4)CCO3)CC2)cc1	765638727	OIASRWMKCSIEED-NBGIEHNGSA-N	409.574	3.543	10	20	HHCD	
COC[C@H]1CCCCN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1	767940286	KORPOTJAUNSVNN-IRXDYDNUSA-N	420.509	3.538	10	20	HHCD	
COc1cc(Cl)cc(CNCc2cccc(C(=O)NCc3ccco3)c2)c1O	761198479	QARNHSUNCBCABN-UHFFFAOYSA-N	400.862	3.867	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC4(CC3)OCCc3ccsc34)ccc21	779344293	VSZZQKYNHQWRBP-UHFFFAOYSA-N	411.571	3.904	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	771984041	BGSCEEMTQDXXJN-HKUYNNGSSA-N	414.550	3.650	10	20	HHCD	
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Br)nn2C)SC1=S	779203454	IAZXMXXKKNVBHU-BMDHIFEQSA-N	400.367	3.963	10	20	HHCD	
CCNC(=O)N1CCc2ccc(N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)cc21	777698050	ZDMHUVSEZIJJHL-MRXNPFEDSA-N	412.509	3.927	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1-c1ccc(OC(C)C)cc1	773994310	MSDKWFUFECNZMW-MRXNPFEDSA-N	407.518	3.920	10	20	HHCD	
COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3cccc(OC)c3O)c2C)c1	779614922	VOGYJBLQEZQCEI-OAQYLSRUSA-N	423.513	3.785	10	20	HHCD	
C[C@@H](NC(=O)NCCc1cn(C)c2cc(F)ccc12)c1ccc(N2CCOCC2)cc1	770357667	GGGFQELOKIBRPC-QGZVFWFLSA-N	424.520	3.757	10	20	HHCD	
O=C1N[C@H](C2CCCCC2)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	777667013	MNMVYZJMZHYOPK-FUHWJXTLSA-N	407.461	3.758	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N(C)C)cc1	776118950	XJZUKSVXSSZIBG-KRWDZBQOSA-N	420.513	3.836	10	20	HHCD	
COc1cccc(CN(C)Cc2cccc(Br)c2OCC(C)(C)O)c1O	786579977	ZGEXXYQMDDXCIJ-UHFFFAOYSA-N	424.335	3.945	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1	783504571	ORNFLCFJCRVRIG-UYAOXDASSA-N	403.567	3.963	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ncnc4cccc([N+](=O)[O-])c34)cc2F)C[C@@H](C)O1	780911067	HSLXMJLKJGWJCS-OKILXGFUSA-N	411.437	3.903	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN(C)Cc2ncnn2CC(F)F)c1C	786207779	PXBTYAGZJRAHRR-UHFFFAOYSA-N	401.461	3.574	10	20	HHCD	
COc1ccc(N[C@H](C)c2cccc(C(F)(F)F)c2O)cc1NS(C)(=O)=O	788717726	HLZUHBSHTJBQAS-SNVBAGLBSA-N	404.410	3.964	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(S(=O)(=O)CC)s2)cc1	792217908	MJGOIGLPHQAMAU-UHFFFAOYSA-N	423.604	3.730	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(N2CCOCC2)cc1Cl	797038211	CGCSGBDXLDSGPG-MSOLQXFVSA-N	420.985	3.507	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1O	796072010	IDPKCUZQEBSQJG-NRFANRHFSA-N	412.505	3.837	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)cc(F)c1O	797041284	COPKPYWCAGGVQE-TZMCWYRMSA-N	414.319	3.625	10	20	HHCD	
C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)CCC(F)(F)F	1319928908	ONZQXMMBTOEQLJ-GFCCVEGCSA-N	404.388	3.673	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(OC)c(OC)c1	1327875537	MGXHZCHWFNJDPI-FQEVSTJZSA-N	401.526	3.836	10	20	HHCD	
COc1ccc([C@@H]2CCCN2C(=O)CN(C)c2ccc(OC)c(OC)c2)c(OC)c1	140340185	GSUHHIGGSRIWAB-IBGZPJMESA-N	414.502	3.521	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(OCc2ccccn2)cc1	507987587	SKYDSMJUYMSZHR-UHFFFAOYSA-N	403.482	3.695	10	20	HHCD	
CN(C)c1ccc(CN(C(=S)NCCc2ccc3c(c2)OCCO3)C2CC2)cc1	726749461	PXUCEBJOBJWEIH-UHFFFAOYSA-N	411.571	3.605	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	728519498	JJFMUIZWHSRRMV-OAQYLSRUSA-N	411.502	3.752	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2COc2ccccc2)c1	729061944	MLUUROWAUOURBD-INIZCTEOSA-N	420.465	3.796	10	20	HHCD	
CNC(=O)CCOc1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	729443508	SSXAYCBAIJXBFJ-UHFFFAOYSA-N	421.497	3.870	10	20	HHCD	
COc1ccc(N2CCN(CCCNc3nc(-c4ccccc4)ns3)CC2)cc1	729629926	POAUNBBUNNOYNJ-UHFFFAOYSA-N	409.559	3.838	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)NCCc1c(F)cccc1F	731844199	CNGLGLCXRSAZEB-UHFFFAOYSA-N	400.425	3.625	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c1	734067241	MGOUGTMDQCVTPE-UHFFFAOYSA-N	411.502	3.919	10	20	HHCD	
CC(C)OC(=O)NCc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1	735179053	MMNOQSYLFUQDDX-UHFFFAOYSA-N	402.470	3.848	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCCN(C[C@H]4CCCO4)CC3)c2C)cc1	738316709	FRNRJGIBXYGGGQ-HSZRJFAPSA-N	409.574	3.772	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(CN2C(=O)CSC2=O)cc1	741064657	UCFOZCUSUJYBBJ-UHFFFAOYSA-N	422.510	3.580	10	20	HHCD	
C[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)Oc1cccc(Br)c1	742387516	MQWMSCZJFSVSDS-OAHLLOKOSA-N	423.326	3.982	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)Cc2ccccc2F)NC(=O)OC(C)(C)C)cc1	742750375	MJPNJLWNIDEIHK-FQEVSTJZSA-N	415.509	3.816	10	20	HHCD	
Cc1nn(C)c2sc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12	742802189	WJOLVNKQWCQPBK-ZDUSSCGKSA-N	420.485	3.943	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1N1CCNC1=O	743429413	NOEPLPQZTRVFTH-UHFFFAOYSA-N	405.454	3.666	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743814278	AHYCJHJHYQZBQH-KRWDZBQOSA-N	418.488	3.822	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cccc(C)c3Cl)CC2)cc1	746035970	XIRNAYNQFHMZRP-UHFFFAOYSA-N	416.953	3.991	10	20	HHCD	
Cc1cc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c(C)n1-c1ccccn1	746638025	KYXQZVKEVLAKSD-OAQYLSRUSA-N	416.525	3.914	10	20	HHCD	
Cc1nn(C)c2ncc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc12	750902226	VWUDWDSORBNPLQ-LICLKQGHSA-N	409.540	3.749	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)cc1F	753742622	SUXZVWPCSPZGNF-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
CC(=O)N1CC[C@H](CN(C)CC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)C1	755040809	CKWHJTZEHUYANW-HXUWFJFHSA-N	407.558	3.566	10	20	HHCD	
Cc1ccc([C@@H](C)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)c(O)c1	756775944	NJTVPDHRRXFMDP-MRXNPFEDSA-N	406.523	3.734	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1	756831871	BFDKFLAYRFTROH-FDDCHVKYSA-N	404.510	3.979	10	20	HHCD	
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccc(Cl)c(Cl)c1O	756857789	QOPLUZDKBQQDNJ-KDOFPFPSSA-N	424.372	3.639	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1	759597457	SEWZWXKTSPTMPW-QHHAFSJGSA-N	406.316	3.522	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@H](C)[S@@](=O)CC3)c2C)cc1	759865065	BZNOLAAKGYHRCQ-HPGBDJQBSA-N	402.560	3.518	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1nc(-c2ccccc2)no1	760306436	LAYXDRQYWPXXMQ-KRWDZBQOSA-N	405.502	3.940	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(Oc4cccnc4)nc3)CC2)cc1	760809344	PUCPMOCWOWHNOT-UHFFFAOYSA-N	405.458	3.632	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(C)sc4c3)CC2)cc1	761418668	GVJYVTMFINUIGM-UHFFFAOYSA-N	424.570	3.555	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1	761522526	SBHNADJJBYGDGU-UHFFFAOYSA-N	418.925	3.559	10	20	HHCD	
C[C@@H](NCc1ccccc1N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl	765394592	CJLFRDKDSLKROS-GOSISDBHSA-N	415.965	3.864	10	20	HHCD	
C[C@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCC2)cc1	765625072	VQEMAOIGDCICTP-BXKMTCNYSA-N	406.530	3.582	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	765720217	XJBPYOGUBZRANZ-TWVWUCKLSA-N	404.501	3.712	10	20	HHCD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CCC2	765920732	MOZQWGLRNIJKKD-UXHICEINSA-N	412.534	3.938	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3ncnc4c3cnn4C(C)(C)C)cc2F)C[C@@H](C)O1	766403715	VPJCFJINPXYVRA-HUUCEWRRSA-N	412.513	3.946	10	20	HHCD	
COCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	766560365	RKNQANUDANREGR-SFHVURJKSA-N	402.510	3.847	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(C)n(-c4ccc(OC)cc4)n3)CC2)cc1	770718049	COEDRPIRYRGSIV-UHFFFAOYSA-N	420.513	3.597	10	20	HHCD	
C[C@@H](NCCNC(=O)CC1CCCCC1)c1ccc(N2CCOCC2)cc1Cl	772986038	MWLRWDMTDFTUNA-QGZVFWFLSA-N	407.986	3.914	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2nn(C(C)C)cc2c1	774126510	MLBUANUWIGNYLW-UHFFFAOYSA-N	407.518	3.670	10	20	HHCD	
COc1cc(O)c(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)cc1OC	775121115	OLPSDKJTHHKJMJ-UHFFFAOYSA-N	411.420	3.912	10	20	HHCD	
CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775402446	BBBOUBJKKGIFDO-SBUREZEXSA-N	420.557	3.795	10	20	HHCD	
CC[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cc(Br)ccc1O	775490344	CAUGAYAKHVQVRP-SFHVURJKSA-N	421.335	3.863	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1F	776652061	NOOQTGMWYWFSTF-HNNXBMFYSA-N	407.530	3.791	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3C3CCOCC3)cc2F)C[C@@H](C)O1	776897112	SJNUEOUGLRVETK-LLGFUMIMSA-N	419.541	3.540	10	20	HHCD	
CCCc1nc(C)c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)s1	777130311	PVNRSSXAIKCMSQ-UHFFFAOYSA-N	413.499	3.870	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1	778727416	PWZDLGGPZSNLEJ-OLZOCXBDSA-N	407.873	3.832	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1	779574467	HMJXRHHJPBNULO-UHFFFAOYSA-N	404.555	3.650	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3ccn(-c4ccccc4F)n3)cs2)cc1	782310304	YRRXCAVIAGSTNV-UHFFFAOYSA-N	408.458	3.998	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc2c1OCO2)c1ccc(N)cc1	783485156	HECOBNVGLUZKRM-OAHLLOKOSA-N	403.438	3.730	10	20	HHCD	
CCOCN(C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)c1c(C)cccc1CC	784286063	JCRHZDXSBUGZFL-BENRWUELSA-N	413.470	3.552	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c(OC)c1	785543104	IORJKRKHVHFJFY-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c(OCc2ccccc2)c1	785984012	BLLZEWSSKNRSRU-UHFFFAOYSA-N	420.465	3.577	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3cc(C)c(Cl)s3)CC2)cc1	788885137	KEMLMISOPZFUPW-UHFFFAOYSA-N	400.953	3.620	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1	790787759	LXNOYAQKBCRVCW-AUUYWEPGSA-N	423.296	3.543	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccnn1-c1ccccc1	791579912	VIYWCPMNZIIDLQ-UHFFFAOYSA-N	412.440	3.873	10	20	HHCD	
CCc1cc(CN2CC[S@](=O)C[C@H]2c2cnn(CC)c2)c(O)c(C(C)(C)C)c1	792716889	TYXIJLVWWVVADF-MMTVBGGISA-N	403.592	3.774	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c(O)c1	792818313	DPARFZMPKOVITQ-INIZCTEOSA-N	407.470	3.935	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCC34CCOCC4)cc2F)C[C@@H](C)O1	799887468	ZIOCJKXBTJMADO-CBGDNZLLSA-N	419.541	3.588	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1	801249502	KXEGTTUMMIFOLF-FNORWQNLSA-N	423.387	3.520	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1	802609522	DVGUGVZKWYSDOX-UHFFFAOYSA-N	424.476	3.793	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCC(C)(C)c1ccccc1Cl)c1ccc(N(C)C)cc1	804523781	AVYHVWRGRJTWAC-HNNXBMFYSA-N	401.938	3.677	10	20	HHCD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	806870005	CXBLHFZRHMLSEV-WOJBJXKFSA-N	407.558	3.944	10	20	HHCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CCO1	808069479	WVALHDBPOOIWQK-IRLDBZIGSA-N	417.594	3.590	10	20	HHCD	
COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1SC	808112239	OPBOQAZNBFVQHP-UHFFFAOYSA-N	416.908	3.535	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1cc(C(F)(F)F)ccc1Br	811688960	UPVKPOUQAFYJAF-XYOKQWHBSA-N	421.238	3.770	10	20	HHCD	
C[C@](O)(CSc1cccc(F)c1)C(=O)NCc1cc(Cl)cc(Cl)c1O	813685299	VQFPZIGOSFAHLX-KRWDZBQOSA-N	404.290	3.998	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3csc(Br)c3)CC2)cc1	915223814	LMICNNCHFYSKIA-UHFFFAOYSA-N	424.408	3.821	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	915779204	YCCPJXURHWIUOV-UHFFFAOYSA-N	421.497	3.583	10	20	HHCD	
C[C@H](OCCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	918196835	DDAAXJDALBOTAH-SFHVURJKSA-N	415.509	3.629	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1	918214030	TYQSFTNJSWWCGQ-OAHLLOKOSA-N	400.504	3.708	10	20	HHCD	
Cn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(-c2ccncc2)n1	920064108	ACCVPVJVXORIQV-MHWRWJLKSA-N	422.491	3.586	10	20	HHCD	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	920887730	HWBPYGIBKOBDHH-INIZCTEOSA-N	422.504	3.956	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncoc1[C@@H]1CCCO1	1116143051	JWTXWDWSSIBIFK-BBRMVZONSA-N	407.417	3.526	10	20	HHCD	
Cn1c(=O)cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c2ccccc21	1319041678	KXDNWOSNWQRFIO-UHFFFAOYSA-N	408.413	3.566	10	20	HHCD	
COc1ccc(N2CCC(NC(=S)NCCCN(C)c3ccccc3)CC2)cc1	726492996	ILGVGHCZRFFZDP-UHFFFAOYSA-N	412.603	3.655	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(C(=O)NC(C)C)cc3)CC2)cc1	726696680	YVGSJBIMRYYBCF-UHFFFAOYSA-N	410.518	3.624	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCc3nc(-c4ccc5c(c4)OCO5)no3)sc2n1	726809307	RCYIFHAHBYQDKE-UHFFFAOYSA-N	424.438	3.631	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C)c(OCC(F)F)c1	726853482	NCVUAIIYQUDHHT-UHFFFAOYSA-N	419.472	3.692	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2Cl)cc1	727360959	FIGLOXMGGFEPIV-ACCUITESSA-N	414.936	3.904	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(NC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)cc1	727606158	DOVROKUGSZUVRW-UHFFFAOYSA-N	408.546	3.507	10	20	HHCD	
COc1cccc(CNC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1O	727839631	KDDJGOWBFSUHEV-UHFFFAOYSA-N	424.482	3.731	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1	728947430	WEUGMCIPXVTRIZ-HNNXBMFYSA-N	401.482	3.565	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1F	731403219	GSSMYVVCMVKOIA-UHFFFAOYSA-N	412.509	3.564	10	20	HHCD	
CCS[C@@H]1CCCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	732592210	XVVJOJHSRGKRGN-GOSISDBHSA-N	409.571	3.604	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1	733157335	SDUFDNJDPKLTIR-QFIPXVFZSA-N	416.997	3.749	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1	734407214	HPGDDNGJZVOOSG-UHFFFAOYSA-N	400.544	3.707	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN([C@@H]4CCCN(C)C4)CC3)c2C)cc1C	734486535	DXIXSQWHSIFFGZ-XMMPIXPASA-N	422.617	3.605	10	20	HHCD	
CSC[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	736050640	FPAUKMPGJPFVQM-KWJWQAOWSA-N	400.616	3.597	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n(C(C)(C)C)n1	737116984	FTYHBZSBKSDPTM-UHFFFAOYSA-N	411.550	3.534	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)c1O	737285507	FBTXZZCHUAQRHP-UHFFFAOYSA-N	408.907	3.810	10	20	HHCD	
Cc1cc(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1F	742333936	AMPJMRVHTDCWJE-AWEZNQCLSA-N	414.449	3.683	10	20	HHCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1	743259922	QEDKQBGXSPSSOH-UHFFFAOYSA-N	400.431	3.893	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@]12CCCc1ccccc12	743315395	UWFTUYIBRUCZLQ-AHWVRZQESA-N	404.554	3.806	10	20	HHCD	
O=C(NCc1ccc(C(=O)N2CCCC2)cc1)NCc1c(O)ccc2c1CCCC2	743528593	IEUKADDKKGLLQM-UHFFFAOYSA-N	407.514	3.506	10	20	HHCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC	743870219	LZIZGOCXPYCEHS-DLBZAZTESA-N	400.519	3.887	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)cc2F)CC1	745808417	LHVNWKVWSMAICP-WZONZLPQSA-N	410.537	3.870	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(F)cc3F)cc2F)C[C@H](C)O1	746221836	PVHNFQNBXWSXDY-KBPBESRZSA-N	407.436	3.717	10	20	HHCD	
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NCc1ccc2c(c1)CCCN2C	746982624	DYYAWVRSPKBELB-JOCHJYFZSA-N	423.557	3.968	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CSCc1cscn1	747418313	AVHHPWWHUKESEN-UHFFFAOYSA-N	401.351	3.893	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C(F)(F)F)c1F	751029686	MHQKEYBBMHGDMO-UHFFFAOYSA-N	414.374	3.875	10	20	HHCD	
COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751932641	VXKVQKPMFLGBSO-CYBMUJFWSA-N	411.483	3.509	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CO[C@@H]2CCOC2)c(C)n1-c1ccc(Br)cc1	753788077	VAJIOXMGLPCVGR-FZKQIMNGSA-N	421.335	3.780	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CC(C)(C)OC2=O)c(C)n1-c1cccc(Br)c1	753862939	CFFAGIABCNDNLY-INIZCTEOSA-N	405.292	3.681	10	20	HHCD	
CC(=O)N1CCC(N[C@H](C)c2cc(Br)cc(Br)c2O)CC1	756363998	RDPHAJHGIQVZEM-SECBINFHSA-N	420.145	3.579	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1	757654362	AQBVXACRFUWSKE-QRQCRPRQSA-N	406.523	3.867	10	20	HHCD	
CCCC1(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCC1	759467401	XQSBJIRRNJMRJV-IAGOWNOFSA-N	420.525	3.569	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCCCSc3nccs3)ccc2NC1=O	759586198	ZVUGPYWOMHHJNK-WFASDCNBSA-N	420.560	3.795	10	20	HHCD	
CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	759598398	WRYZYDXHBPSXEN-KJJQSCHISA-N	409.394	3.630	10	20	HHCD	
COc1cc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc(OC)c1OC	759887491	VHXQZXCMSZZJEY-UHFFFAOYSA-N	409.486	3.690	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	762286047	BOWHIXDDYAAUHS-BUXKBTBVSA-N	406.841	3.725	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1	764630531	SJTONAVLOXWPEW-HXUWFJFHSA-N	419.566	3.517	10	20	HHCD	
Cc1nc(-c2ccc(S(=O)(=O)NCc3ccc(N(C)C)c(F)c3)s2)cs1	765171484	MTJYNSOQYPIDMZ-UHFFFAOYSA-N	411.549	3.864	10	20	HHCD	
Cc1c([C@H](C)NCc2ccc(N3CCOCC3)cc2)nnn1-c1ccc(Cl)cc1	765283645	VFWSELCTJRNXBB-INIZCTEOSA-N	411.937	3.917	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1ccco1	765477485	FWGRNPHAVQQMIW-HNNXBMFYSA-N	410.312	3.630	10	20	HHCD	
COc1ccc2c(c1)CC[C@H](NC(=O)NCc1cccc(Br)c1O)C2	765535510	IMPKLFFQTBQHSI-HNNXBMFYSA-N	405.292	3.520	10	20	HHCD	
CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc(N2CCOCC2)c(F)c1	771101550	UWTVWUDVXOPTQU-SFHVURJKSA-N	420.282	3.621	10	20	HHCD	
C[C@H](NCCc1nc2cc(F)ccc2n1C)c1ccc(N2CCOCC2)c(F)c1	773003189	AXXMOKOGHWAVGA-HNNXBMFYSA-N	400.473	3.581	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(COc3ccccc3)cc2)c1	774213525	NXJBXKUUSNLNQK-INIZCTEOSA-N	420.465	3.796	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC[C@@H]1c1cccs1	775253758	DPTGHRSZAWRVOM-LVCYWYKZSA-N	413.587	3.988	10	20	HHCD	
CCOC(=O)Nc1ccc2c(CN[C@@H](C)c3cc(OC)ccc3O)cc(=O)oc2c1	775363560	NBGRTMGDWYQTPV-ZDUSSCGKSA-N	412.442	3.926	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)c1	775373473	SDEPGWCZBDPZTD-CHWSQXEVSA-N	412.408	3.827	10	20	HHCD	
CC[C@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cc(Br)ccc1O	775546453	IMRUAKQADPVJAS-ICSRJNTNSA-N	419.363	3.962	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)cc1	776900217	QIFMTARDGNKIKN-IERDGZPVSA-N	413.493	3.936	10	20	HHCD	
Cc1cc2c(cc1C)[C@@H](NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CCS2	779023856	JEZZEBWGAFKHMQ-NRFANRHFSA-N	416.612	3.865	10	20	HHCD	
COc1cc(Br)ccc1CCC(=O)NCc1ccc(N(C)C)c(F)c1	782258245	UMHMQDGNGRPNIN-UHFFFAOYSA-N	409.299	3.912	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)OCC(=O)c1ccc(O)c(O)c1	790750241	NJVLOGUYOVFZNB-UHFFFAOYSA-N	415.442	3.804	10	20	HHCD	
O=S(=O)(c1ccccc1CNCc1c(O)ccc(Cl)c1F)N1CCCCC1	790949911	KQTMOENATOQMEO-UHFFFAOYSA-N	412.914	3.649	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)nc1	792057479	OTWAJHWQKVKCFM-UHFFFAOYSA-N	410.518	3.888	10	20	HHCD	
CN(C)c1ccc(CN[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c(C(F)(F)F)c1	793020207	AJQBRUMXFMDFIA-AWEZNQCLSA-N	423.443	3.817	10	20	HHCD	
C[C@](O)(CSc1cccc(F)c1)C(=O)NCc1ccc(N2CCSCC2)cc1	795329999	UXWAHJRDSKNYCA-NRFANRHFSA-N	420.575	3.538	10	20	HHCD	
CC[C@@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(F)cc1O	796994790	VNGDDUUKECRYOH-AUSIDOKSSA-N	411.477	3.997	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2cccc(C)c2)c(O)c1	797388840	BRPJMHLQCHAYGW-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1c(F)cc(F)cc1Br	797649394	ZEFYFWUBKBEMOE-QMMMGPOBSA-N	401.207	3.891	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@H]3O)CC2)cc1	798400195	WOVSCLNPRNRGGO-FJTGNWTPSA-N	415.578	3.635	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C)C)c(Cl)c1	802610606	HXPHPRCRKJYOAI-UHFFFAOYSA-N	403.910	3.879	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1ccco1)Cc1cccs1	807099136	KZAKYHXSMBNSTM-UHFFFAOYSA-N	411.527	3.561	10	20	HHCD	
COC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	807375927	XDDLTFTXGVBBGP-UHFFFAOYSA-N	423.473	3.635	10	20	HHCD	
CNC(=O)CC[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	807388268	SVLUVWOKQILIIR-FQEVSTJZSA-N	421.501	3.948	10	20	HHCD	
Cc1ccc(CS(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	808297867	CQVQIUZPXLYJFC-KRWDZBQOSA-N	410.486	3.685	10	20	HHCD	
COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1	811706067	WCALTIDTYIGBDD-UHFFFAOYSA-N	413.879	3.558	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1	813533429	XUDRDKAESVUWPW-UHFFFAOYSA-N	415.534	3.900	10	20	HHCD	
COC(=O)N1CCN(c2ccc(N[C@H](C)c3cc4c(cc3O)CCCC4)cn2)CC1	815655358	PYHQOMSGSVWQHA-MRXNPFEDSA-N	410.518	3.728	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CCc2cncs2)NC(=O)OC(C)(C)C)cc1	815710006	APCMRKIJEIJECM-SFHVURJKSA-N	418.563	3.524	10	20	HHCD	
Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)c(F)cc1O	816603373	HACINHGNLJSOOF-INIZCTEOSA-N	424.904	3.712	10	20	HHCD	
Cc1cc(C(=O)Cn2c(Cl)cncc2=O)c(C)n1-c1ccc(OC(F)F)cc1	820700873	FEIDAKGYGDWDHN-UHFFFAOYSA-N	407.804	3.789	10	20	HHCD	
O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2O)N1C[C@@H]1CCCO1	877844970	AZYHHCXEKBTRDU-SCLBCKFNSA-N	403.276	3.900	10	20	HHCD	
CCOc1cc2c(cc1NC(=O)N1CCN(c3ccc(OC)cc3)CC1)O[C@@H](C)C2	915334416	PNIHSGBGADOCMZ-INIZCTEOSA-N	411.502	3.771	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1C	918585306	PDYFEGNWESMRKY-XMMPIXPASA-N	416.481	3.709	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(C)n(-c4cc(C)on4)c3C)CC2)cc1	918664886	INWUBUZIAGUQGF-UHFFFAOYSA-N	408.502	3.752	10	20	HHCD	
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1	919790116	JXFMWTJSAMJXSD-SFHVURJKSA-N	424.545	3.507	10	20	HHCD	
Cc1cc(C(=O)Nc2cnccc2N2CCN(C)CC2)c(C)n1-c1ccc(F)cc1	919861153	PFMBAYBCDQYJJS-UHFFFAOYSA-N	407.493	3.632	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1oc2c(C)ccc(C)c2c1C	1320436430	KWWFDJLZRNSFTE-INIZCTEOSA-N	411.454	3.673	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cccc(I)c2C)c(O)c1	1321268408	RAXIDOLEIKGNCU-UHFFFAOYSA-N	412.227	3.636	10	20	HHCD	
CC[C@H]1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C[C@@H](C)S1(=O)=O	1323306127	REMVECZNIFZGJC-WBVHZDCISA-N	408.951	3.785	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc2c1OCO2	13058560	LHWZSVVZICMYMN-CHHVJCJISA-N	415.448	3.528	10	20	HHCD	
Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	16166846	LHKSKZWCYHJOQD-UHFFFAOYSA-N	417.509	3.938	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccccc4)c[nH]3)CC2)cc1	27660084	RFDFEXRDUOSKPL-UHFFFAOYSA-N	408.527	3.526	10	20	HHCD	
C=CCOc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	144170798	IUELPHPTTGRLFN-UHFFFAOYSA-N	407.514	3.839	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1	216909168	PLZKFTCTIJIDDX-FZMZJTMJSA-N	423.296	3.938	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cc(-c3ccco3)nn2C(C)C)n(C)c2ccccc12	472803155	JVOKOBXVPBSASE-UHFFFAOYSA-N	419.485	3.779	10	20	HHCD	
CCCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	727375551	FBGOXUMIUKAUDC-HXUWFJFHSA-N	403.592	3.773	10	20	HHCD	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)NC2=S)cc1C	727435585	SCJAGGWMCJQBSA-UYRXBGFRSA-N	411.502	3.541	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN1c1ncnc2sccc12	728518648	KYEBBLFCUNDLDA-FQEVSTJZSA-N	421.570	3.967	10	20	HHCD	
CC1(C)CN(C2(CNCc3ccc(N4CCOCC4)c(F)c3)CCCCC2)CCO1	731218614	WGCWSBVMMNUBKS-UHFFFAOYSA-N	419.585	3.566	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1	731281947	FFMIWCHZWKHLPR-JOCHJYFZSA-N	411.546	3.696	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)cc1	737126234	IQWOLXWHJZPMGH-UHFFFAOYSA-N	407.518	3.718	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC2)cc1	737543400	UCMGKNRJNPRAPD-UHFFFAOYSA-N	419.566	3.864	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)CN3CCCN(C)CC3)c2C)ccc1Br	737970158	BGNQWOAOAKAUMU-UHFFFAOYSA-N	418.379	3.985	10	20	HHCD	
COc1ccc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1-n1cnnn1	741726050	DCZVLGPGMAIHAD-UHFFFAOYSA-N	422.876	3.984	10	20	HHCD	
C[C@@H](c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1)N1CCOCC1	743148783	CAHICKSULYVILE-KRWDZBQOSA-N	409.530	3.986	10	20	HHCD	
Cc1nnc(SCC(=O)NCc2c(O)ccc3c2CCCC3)n1Cc1ccccc1	743717598	PACUQUQQXDTVEU-UHFFFAOYSA-N	422.554	3.628	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(Br)c[nH]1	743808828	GKJVBKUJHNHIMA-UHFFFAOYSA-N	402.086	3.908	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCc3c(O)ccc4c3CCCC4)ccc2NC1=O	745929458	DZEGEEMBDVJFNI-SZNDQCEHSA-N	423.513	3.941	10	20	HHCD	
Cc1nnc(-c2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c2)o1	746019265	WVLNDHSJYKHHEA-JOCHJYFZSA-N	420.513	3.932	10	20	HHCD	
C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	746758679	NZJGXNQXUOMHTA-RXVVDRJESA-N	411.521	3.825	10	20	HHCD	
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1	747856911	OEQXCHDIKAELEV-AZUAARDMSA-N	402.583	3.759	10	20	HHCD	
CCOc1cccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	748034917	PFAWKBOICINCCS-UHFFFAOYSA-N	418.496	3.906	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1	753906720	XLXBJFZSCXFHHO-UHFFFAOYSA-N	422.489	3.698	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(F)c(F)c(O)c1F	755492910	MGBQHLKOUURBLR-UHFFFAOYSA-N	404.182	3.940	10	20	HHCD	
COc1ccc(CC[C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1O	756101691	WRIBJDTZYFMXPP-INIZCTEOSA-N	402.510	3.612	10	20	HHCD	
CSC[C@@H](CCO)N[C@@H](C)c1cc(Br)cc(Br)c1O	756601853	BOCPCWVUALVYOG-WCBMZHEXSA-N	413.175	3.682	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC	762588114	NFJVPYRMGVEFNV-GOSISDBHSA-N	409.530	3.758	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(OC(F)(F)F)c1	763395607	JVGXOEPBBQNRDT-UHFFFAOYSA-N	408.420	3.724	10	20	HHCD	
CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C12CCC2	764357357	UDRVRXCTSWQIIM-IOMROCGXSA-N	401.551	3.573	10	20	HHCD	
COc1ccc(N2CCC(NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)cc1	765286470	LLGWGDURRDCJSB-UHFFFAOYSA-N	413.537	3.554	10	20	HHCD	
C[C@H]1Sc2ccc(C(=O)NCc3cccc(Br)c3O)cc2NC1=O	765729238	ZQDXSQHUWKSTNX-SECBINFHSA-N	407.289	3.517	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	767473946	NPIFKVKOTAPXII-YUOVDFJASA-N	402.510	3.563	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1F	768228249	HPKTXKBPCCWLSU-UHFFFAOYSA-N	400.347	3.955	10	20	HHCD	
COc1cc(O)c([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1OC	768266147	NCXFLDWONGLLGC-JOCHJYFZSA-N	420.421	3.909	10	20	HHCD	
COc1cc(CN2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c(O)cc1C	768447968	SCZIRYWAXOYRRN-HNNXBMFYSA-N	414.531	3.700	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCC1CCN(c2ccncc2)CC1	771421299	LVLNSPRFNIQKDD-UHFFFAOYSA-N	409.578	3.904	10	20	HHCD	
CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	772323508	HTINFHVOUYVORM-UHFFFAOYSA-N	420.473	3.661	10	20	HHCD	
C[C@H](NS(=O)(=O)c1cc(Br)cnc1Cl)c1ccc(N(C)C)cc1	773083316	FLVJTJZIKAXCHA-JTQLQIEISA-N	418.744	3.603	10	20	HHCD	
C[C@@H](NC[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	773132100	TZWAMQSITKRAOP-BEFAXECRSA-N	407.530	3.616	10	20	HHCD	
CCOc1ccc(C(C)(C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OCC	773747463	AIYZPOSYJRZDNY-HNNXBMFYSA-N	401.503	3.920	10	20	HHCD	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773759980	CRBCZKGRYDANBG-NSHDSACASA-N	417.303	3.940	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(N(C)C)cc1	773859011	SSUHEAAVIHAGME-HNNXBMFYSA-N	422.460	3.895	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1nc2ccccc2s1	774981159	LVTDXMWMWSYDEC-UHFFFAOYSA-N	422.554	3.561	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	775778347	NGUNDKYQKWGAFW-GOTSBHOMSA-N	409.530	3.872	10	20	HHCD	
COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)cs1	777665863	AJFLGVWLLNRAGY-UHFFFAOYSA-N	415.905	3.507	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccc(C)cc4C)c3)CC2)cc1	786201841	KQJMRSOZOROTLH-UHFFFAOYSA-N	405.502	3.852	10	20	HHCD	
CC(C)(C)Oc1nc(NCc2ccc(N3CCOCC3)cc2)ncc1Br	786581273	AMGXEMJREPYEJG-UHFFFAOYSA-N	421.339	3.865	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1OC(C)C	787575088	FMHZHTJGEFOENB-UHFFFAOYSA-N	421.291	3.505	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCC[C@@H]1CCCO1	787636825	BHGQFHCYUIQMGM-FRRXJZEGSA-N	411.570	3.842	10	20	HHCD	
CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	787870346	FRHRSNWWJXXFPI-GOSISDBHSA-N	423.557	3.908	10	20	HHCD	
COc1cc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc([N+](=O)[O-])c1C	790501585	XSBVTGXCRZYSFF-UHFFFAOYSA-N	424.501	3.696	10	20	HHCD	
COc1ccc(CNc2ccc(I)cc2[N+](=O)[O-])c(O)c1	795290300	RLSSWDRNXBWFLV-UHFFFAOYSA-N	400.172	3.526	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2csc3ccccc23)cc1C	795304107	JARWIXDHOBWMTN-UHFFFAOYSA-N	410.542	3.772	10	20	HHCD	
CCN(CCc1c(C)nc2sccn2c1=O)Cc1cc(Br)ccc1O	795924608	KYFVGOYGMGEVNW-UHFFFAOYSA-N	422.348	3.597	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COCc2ncc(C)o2)cc1	796358023	UQAIUOJVSRINPJ-UHFFFAOYSA-N	409.486	3.808	10	20	HHCD	
COC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C	798028669	JEVVUVHJAWIQPN-INIZCTEOSA-N	412.490	3.893	10	20	HHCD	
C[C@H](NC(=O)NC[C@H](O)c1cccc(Br)c1)c1ccc(N(C)C)cc1	799974647	CXSNZKGYTZOMKZ-UGSOOPFHSA-N	406.324	3.609	10	20	HHCD	
CC(C)(C)OC(=O)NCc1nc(CN(Cc2ccco2)Cc2ccccc2O)no1	800355865	NDQNYWYUFRELIB-UHFFFAOYSA-N	414.462	3.595	10	20	HHCD	
CC(C)OC[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800719913	PIXARCLSCSMXNS-FUHWJXTLSA-N	411.974	3.504	10	20	HHCD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NCc1cccc(Br)c1O	806423932	LIJBTQDGTLWYFI-UHFFFAOYSA-N	407.190	3.537	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	806959341	UQOJYZJYXRGQCS-NRFANRHFSA-N	416.616	3.933	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[C@H]1c1ccccc1Cl	807291127	GSBQXRAIQDHCJF-NRFANRHFSA-N	409.917	3.696	10	20	HHCD	
O=C(CCCNC(=O)c1ccc(F)cc1F)NCc1cc(Cl)cc(Cl)c1O	807838167	KALZTPVFCPDTMR-UHFFFAOYSA-N	417.239	3.804	10	20	HHCD	
COc1ccc(O)c(CN(CCn2ccnc2)Cc2ccc(Br)o2)c1	809752591	GNYGKQFGDIBMEM-UHFFFAOYSA-N	406.280	3.655	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC1(F)F	811864995	RBFLCAXPEYEMRG-ZDUSSCGKSA-N	421.410	3.729	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](n4cccn4)C3)cc2Cl)C1	812909231	STZYIBMHPVOCMS-WMZOPIPTSA-N	401.942	3.929	10	20	HHCD	
COC(=O)CCC[C@@H]1CCC[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1	815121254	YJDPTFJRQHUKOJ-UGKGYDQZSA-N	402.579	3.887	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ncsc1Nc1ccccc1	816825883	PTTBNZAQEMZGGJ-UHFFFAOYSA-N	408.527	3.996	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(-n4cccn4)cc3)cc2F)C[C@@H](C)O1	916677247	UFTSRWYVLPWEMC-CALCHBBNSA-N	423.492	3.947	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc4ccccc4c(O)n3)cc2F)C[C@@H](C)O1	918632945	FOTKFUMBQDOBSR-HUUCEWRRSA-N	409.461	3.623	10	20	HHCD	
CC(C)(C)c1ncc(/C=C\C(=O)N2CCCc3c2cccc3S(C)(=O)=O)s1	1120245821	LINMWPKADOCONZ-KHPPLWFESA-N	404.557	3.837	10	20	HHCD	
Cc1noc(-c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2)n1	1317928245	DQQVMZKWYIEVNO-GJZGRUSLSA-N	424.476	3.728	10	20	HHCD	
CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(N2CCCC2)cc1	1319699742	DMLPRWQHRWYZFC-UHFFFAOYSA-N	402.560	3.591	10	20	HHCD	
CC(C)n1ncc2c1[C@@H](NC(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CCC2	1320267153	GQCLQOAZBFXRMU-UWJYYQICSA-N	411.550	3.738	10	20	HHCD	
CN1CCN(c2ccc(/C=C\c3nc(-c4ccccc4)ncc3C(=O)O)cc2F)CC1	1321683833	AYIDPTRMVUHHQN-CLFYSBASSA-N	418.472	3.903	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(Cc2ccccc2Cl)n1C[C@H]1CCOC1	1519184454	NVZZNIFCGCPQSA-MRXNPFEDSA-N	412.921	3.901	10	20	HHCD	
CCC(=O)Nc1cccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	55531829	IOMPCYNFBSACBC-HZPDHXFCSA-N	413.493	3.718	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC3CCN(Cc4ccccn4)CC3)cc2)CC1	303372448	KLUIBTAHEYCMBQ-UHFFFAOYSA-N	421.589	3.782	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@H]2Oc3ccccc3NC2=O)c(C)n1-c1ccccc1	196453367	VXRSUCWGXXKDJU-JOCHJYFZSA-N	418.449	3.610	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cncc(Br)c1	96506135	ZVAYMUIFHONFIL-UHFFFAOYSA-N	407.223	3.872	10	20	HHCD	
C[C@@H](NC(=O)c1cc2sc(N(C)C)nc2s1)c1ccc(N2CCOCC2)cc1	148502051	FFZYHUVOFIDOLE-CYBMUJFWSA-N	416.572	3.751	10	20	HHCD	
CCc1ccc(C(=O)N2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)cc1	472242823	PVHMJWWGMQAQFJ-UHFFFAOYSA-N	418.541	3.717	10	20	HHCD	
Cc1cc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C)c(C)n1-c1ccccc1	800747575	LWBPLLLDQUVOTI-QGZVFWFLSA-N	405.424	3.657	10	20	HHCD	
CC[C@@H](c1ccccc1)c1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1C	800726967	UFFBMHVAWKVCFN-QFIPXVFZSA-N	405.546	3.830	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1)C1CCCCC1	803679454	SXUASEHVSJEFGW-JOCHJYFZSA-N	408.546	3.764	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)n(C)c2ccccc12	472223027	RWLZMENLQUGRCT-UHFFFAOYSA-N	420.513	3.753	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCc2cc(F)ccc21	801996630	MWQYRRHYSBDQKN-UHFFFAOYSA-N	423.410	3.953	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc4c3oc(=O)n4C)cc2Cl)C1	800050378	UVNDXQJTFPFNIE-AWEZNQCLSA-N	413.905	3.951	10	20	HHCD	
CCc1oc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1C(=O)OC	800792658	GFMNDIBXNZFAGL-LZYBPNLTSA-N	417.464	3.763	10	20	HHCD	
CC(C)c1nnc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cn12	801743064	IBEBQQIMFSNXND-SFHVURJKSA-N	409.490	3.771	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1NC(=O)C1CC1	815104294	HCAMPUTWKKZRRV-UHFFFAOYSA-N	418.541	3.819	10	20	HHCD	
CCSc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	813589795	DZQRXPUSEANXOU-UHFFFAOYSA-N	403.523	3.774	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)N[C@H](C)c1cc(OC)ccc1O)O[C@H](C)C2	728942469	ULNHVEKVRCFZKP-ZIAGYGMSSA-N	400.475	3.683	10	20	HHCD	
C[C@@H](NC(=O)N1CCO[C@H](c2ccccc2F)C1)c1ccc(N2CCOCC2)cc1	727478479	STULSYADBDPEKK-VGSWGCGISA-N	413.493	3.506	10	20	HHCD	
C/C=C/COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	729075351	FDSDQWNRWHWYOI-FFOMECMKSA-N	412.330	3.770	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1	726247963	VYMLYFDMATZBQD-HNNXBMFYSA-N	418.335	3.846	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCOc2cccc(NC(C)=O)c2)cc1	729231795	YOYMJUXVHSUNEB-UHFFFAOYSA-N	412.534	3.712	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1	729061485	FXYZLJISDVGEMC-CQSZACIVSA-N	412.461	3.576	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cccnc3-n3ccnc3C)ccc21	728516894	BILUESAWYYWSLK-UHFFFAOYSA-N	417.513	3.724	10	20	HHCD	
C[C@@H](NS(=O)(=O)/C=C/c1ccccc1Cl)c1ccc(N2CCOCC2)cc1	727458479	ZSEMEAZMUVRDAJ-AAGJOFLKSA-N	406.935	3.828	10	20	HHCD	
Cc1cnc2c(S(=O)(=O)Nc3ccnn3Cc3ccc(N(C)C)cc3)cccc2c1	727362165	IDHYGFBGGWILPY-UHFFFAOYSA-N	421.526	3.655	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	733879696	WXYQWVSVULTWFN-UHFFFAOYSA-N	406.533	3.954	10	20	HHCD	
CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	735930462	LCMKFMCMZMERGJ-NRFANRHFSA-N	419.525	3.776	10	20	HHCD	
Cc1cc(CC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	733226878	FHBAZTABKBCFJW-ZBFHGGJFSA-N	410.967	3.570	10	20	HHCD	
CCNC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731109214	PDMRMFPKUYIYPR-UHFFFAOYSA-N	424.545	3.760	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccsc3C(F)(F)F)no2)c1	904922469	FBDCEIZYOIUOSW-UHFFFAOYSA-N	405.379	3.561	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	734701851	LGQUFJJMPGQUAQ-UHFFFAOYSA-N	413.827	3.988	10	20	HHCD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccc(N(C)C)cc3C)C2)c1	734406440	XKCGIBWLOBVVHC-FQEVSTJZSA-N	408.546	3.930	10	20	HHCD	
CCCCN1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	731283746	PUOKEEZIJQJBGE-RTWAWAEBSA-N	403.567	3.737	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(OCC3CC3)nc2)cc1F	731404367	BCPXHYKFPBGSJL-UHFFFAOYSA-N	400.498	3.855	10	20	HHCD	
CCN(CC)C(=O)c1ccccc1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1	919913539	XQJYDILXPGUMMX-UHFFFAOYSA-N	424.545	3.921	10	20	HHCD	
CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1	917885332	SWNJVIBZIIGVAR-UHFFFAOYSA-N	402.516	3.587	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cccnc2N2CCOCC2)cc1)C1CCCCC1	742416105	LPXKQDNQSZNKJG-UHFFFAOYSA-N	408.546	3.617	10	20	HHCD	
CC(C)Cn1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c2ccccc2c1=O	914437250	GCMAURRDHLVLNT-UHFFFAOYSA-N	418.541	3.923	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1	748287335	KYVBLBQBYJRJJS-CTXDPNEZSA-N	401.551	3.937	10	20	HHCD	
CCOc1ccc(CNCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c(O)c1	742373980	MQQZUKGAFZBFEB-UHFFFAOYSA-N	423.479	3.851	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)c1	741096261	WQEBCEQVEVUZHE-INIZCTEOSA-N	411.502	3.597	10	20	HHCD	
COCCOc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742797558	FPGRKNHSUWKMNS-QGZVFWFLSA-N	420.456	3.712	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(N3CCCNC3=O)c2)cc1F	743219722	HADUZOGBZCRPEB-UHFFFAOYSA-N	413.497	3.913	10	20	HHCD	
O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc(S(=O)(=O)NC2CC2)c1	740800739	CXYMXZLGUJTOHK-UHFFFAOYSA-N	413.543	3.760	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)CSc3ccc4ccccc4n3)CC2)cc1	758195121	CIGSQJCFQXKXNS-FQEVSTJZSA-N	409.555	3.519	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1	756597080	KAKNHIWLAYVMQE-SUMWQHHRSA-N	402.878	3.678	10	20	HHCD	
CCC(CC)c1nnc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)s1	753865367	KKNAZUGNCXJCAK-UHFFFAOYSA-N	407.515	3.944	10	20	HHCD	
Cc1ccc(-n2cnc3c2CCN(C(=O)NCc2ccc(N(C)C)cc2C)C3)cc1	753523607	ODVDEQIPULIUPD-UHFFFAOYSA-N	403.530	3.823	10	20	HHCD	
COC(=O)c1sccc1S(=O)(=O)NCc1ccc(N(C)C2CCCCC2)cc1	751042674	ASYQRMFXWMEILL-UHFFFAOYSA-N	422.572	3.782	10	20	HHCD	
COc1ccc2nc(N3CCN(c4cc(OC)c(OC)c(OC)c4)CC3)ccc2c1	758934523	GXRIXDGLIUXGBH-UHFFFAOYSA-N	409.486	3.596	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1	752640482	DVXWLGYBFRVGPO-OALUTQOASA-N	418.534	3.593	10	20	HHCD	
COc1ccc2oc(/C=C3\SC(=S)N(c4ccc(C(N)=O)cc4)C3=O)cc2c1	763281351	FFKBXCCQTZJZCG-YVLHZVERSA-N	410.476	3.946	10	20	HHCD	
COc1cc(N2CCN(Cc3c(C)nn(C(C)(C)C)c3C)CC2)cc(OC)c1OC	761219279	MHSRWXSENVJCHJ-UHFFFAOYSA-N	416.566	3.603	10	20	HHCD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	763010332	IPDQHJJKJMGTSX-WAIKUNEKSA-N	411.521	3.910	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)cc1Br	764412916	WOOCYEZEDXDOLH-QPEQYQDCSA-N	411.302	3.847	10	20	HHCD	
C[C@H](OCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1	760948107	DIRNEIXELOMTGA-HNNXBMFYSA-N	402.878	3.978	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)N[C@H](C)COC)cc2)cc1F	863991679	KZXFPPBGKOHYFZ-MRXNPFEDSA-N	423.554	3.597	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nn(-c3ccc(OC)cc3)cc2O)cc1	779492079	BXCZZTCXPMXRLW-UHFFFAOYSA-N	408.502	3.705	10	20	HHCD	
COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC	775836225	LIUDQQIFUVQPCS-UWJYYQICSA-N	411.546	3.784	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1O	775111766	OKCXNJVNLMBAJO-SNVBAGLBSA-N	404.810	3.863	10	20	HHCD	
Cc1ccc2nc(NC(=O)CN[C@@H](C)c3ccc(N4CCOCC4)cc3)sc2c1	775258717	ABPLIYIJOGVXJC-INIZCTEOSA-N	410.543	3.731	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(I)cc2C)c1O	775051040	LNUVKOQTFZGZKK-UHFFFAOYSA-N	414.199	3.834	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1ccc(Br)cc1	778258459	KDTVLQPAFMXROO-ORAYPTAESA-N	405.336	3.742	10	20	HHCD	
COCCOC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775557116	AEZFRUJXSCDSJR-OAHLLOKOSA-N	400.479	3.830	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2	771933474	JZDPPHVGCXLWMV-UHFFFAOYSA-N	406.530	3.946	10	20	HHCD	
C[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1cc(Cl)c(Cl)cc1O	774267823	XOQMYSJDFLSGNI-JTQLQIEISA-N	409.360	3.732	10	20	HHCD	
CCOc1cc(N2CCOC(C)(C)C2)ccc1NCc1cc2c(cc1O)OCO2	780590251	KHRMHZHTTQYOQX-UHFFFAOYSA-N	400.475	3.747	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C3(c4cncc(Br)c4)CC3)ccc21	798412245	AUWOUUFSIMKZTE-UHFFFAOYSA-N	400.320	3.575	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCSC[C@@H]3c3cnn(C)c3)cc2)CC1	790318893	NAXBHAIREZEXBG-OAQYLSRUSA-N	413.591	3.656	10	20	HHCD	
COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)C2)c1	792097461	QRGMPAPRJRBHNT-QHCPKHFHSA-N	423.513	3.504	10	20	HHCD	
CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc(N(C)C)cc1C(F)(F)F	792830209	XIICGKCBKBNNQC-UHFFFAOYSA-N	400.466	3.807	10	20	HHCD	
CCN(CC)c1ccc(CN[C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1F	794811291	WRGJASOKRINZFK-INIZCTEOSA-N	407.555	3.787	10	20	HHCD	
COc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c(O)c1	794381087	KMMOAIUUCDPNKB-QFIPXVFZSA-N	418.493	3.887	10	20	HHCD	
Cc1ccccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CN(C)C(=O)N3)cs1	799186929	JPZBHLSRUFFXRR-UHFFFAOYSA-N	414.512	3.897	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C(N)=O)cc3)cc2Cl)C1	799992673	FTQLAIIKOJYNEI-OAHLLOKOSA-N	414.937	3.675	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)c1	1324911993	OAXZDGAHBWZXIQ-AVRDEDQJSA-N	412.917	3.962	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(Nc2ccccc2Cl)CC1	1322852914	DSAHPXGAPBHRTC-UHFFFAOYSA-N	414.981	3.941	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N(C)Cc3c(F)cccc3Cl)CC2)cc1	108095195	FPFCPYZSQUOHCG-UHFFFAOYSA-N	419.928	3.658	10	20	HHCD	
C[C@H](Nc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(N2CCOCC2)cc1	301331373	BIUCZGRUFJMOSF-INIZCTEOSA-N	416.485	3.531	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl	218825891	RUUJHESVCXOMQQ-UHFFFAOYSA-N	413.946	3.744	10	20	HHCD	
C[C@@H](NC(=O)NCc1cc(-c2ccccc2)no1)c1ccc(N2CCOCC2)cc1	140944937	SRJGEPIPXXEKQC-QGZVFWFLSA-N	406.486	3.739	10	20	HHCD	
O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)SC(=S)N1c1ccc(F)cc1	147609732	SFXKYXKCFNINII-PXNMLYILSA-N	418.427	3.911	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21	437020463	PWFGNXTYSMOMLX-UHFFFAOYSA-N	413.477	3.646	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1	807269952	MFJSKTHQGZYYEQ-MRXNPFEDSA-N	404.532	3.869	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)C(C)(C)C1	800892423	BSLRFRSNCWVMTC-HXUWFJFHSA-N	403.567	3.648	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)n(C)c2ccccc12	472230480	OTDRCUMFZIALIF-UHFFFAOYSA-N	418.541	3.725	10	20	HHCD	
CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1	804312251	AUGOSSOLGJXHDI-JARZOMNASA-N	424.497	3.762	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	803772368	ICIJAVFCASRQCE-INIZCTEOSA-N	411.527	3.774	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)c1ccc(N(C)C)cc1	803167874	OHZXLNBEAIPXAJ-ZDUSSCGKSA-N	408.329	3.596	10	20	HHCD	
CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)NCCCSc1nccs1	806279143	GDNDKPXAVONMGG-UHFFFAOYSA-N	405.589	3.816	10	20	HHCD	
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135648	WDLDUXAXHVXGLU-UHFFFAOYSA-N	409.222	3.533	10	20	HHCD	
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	803653582	PZOLXYIGQCFPBL-FXAWDEMLSA-N	405.498	3.639	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H]1c1nc2ccccc2s1	807103698	VEWUCCSGLPFEHY-IBGZPJMESA-N	422.554	3.651	10	20	HHCD	
Cc1cnc([C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C2CC2)s1	807630078	YKDPNQQUYAMGFH-LJQANCHMSA-N	414.575	3.522	10	20	HHCD	
CCOC1CC2(CCN(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2)C1	806878828	XJNCVZBZDNZORH-IDMYKUQPSA-N	423.504	3.857	10	20	HHCD	
C[C@H](N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	800996241	PYEULNPNMHAPBY-FXAWDEMLSA-N	412.509	3.619	10	20	HHCD	
COCCn1cc(CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)cn1	800070775	DHKITWWEEADTDN-UHFFFAOYSA-N	406.490	3.941	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1C(=O)O	392884742	KMDYHTOGJFETHI-UHFFFAOYSA-N	406.243	3.597	10	20	HHCD	
CCc1cccc2c1OCC[C@H]2NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	725875681	HQSVWLFOPLULQK-HSZRJFAPSA-N	423.557	3.781	10	20	HHCD	
COc1ccc(N2CCN(CCNCc3cccc(OC(F)(F)F)c3)CC2)cc1	728063708	YNQMYZAAZLXVPJ-UHFFFAOYSA-N	409.452	3.506	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)c3nccnc3N)n2)c(C)n1-c1ccc(F)cc1	822850012	TZQPVRYEHDDFBM-UHFFFAOYSA-N	408.462	3.981	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2cccs2)n1C	726770218	NIWMPSKKHNFPIZ-UHFFFAOYSA-N	415.588	3.750	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1	728839331	COCIVOZGCDMPTB-OAQYLSRUSA-N	420.431	3.815	10	20	HHCD	
O=C(NCCCc1nnc2n1CCCCC2)N(Cc1ccco1)Cc1ccccc1O	727606709	BUYUBMVZCZMIBQ-UHFFFAOYSA-N	423.517	3.648	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@](C)(O)c3ccc(F)cc3F)ccc21	734025701	CBOVKKHVEVSMRO-QHCPKHFHSA-N	416.468	3.820	10	20	HHCD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1	732881574	PZFFQWDNSQREOE-UHFFFAOYSA-N	415.559	3.932	10	20	HHCD	
Cc1cccc(N2C[C@H](C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)CC2=O)c1C	735519482	RUZNTNPCZPHACQ-NHCUHLMSSA-N	422.525	3.570	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cc(F)cc(F)c4)n3)ccc2N1	731059182	ZQOMQTPYRSVXKH-UHFFFAOYSA-N	421.450	3.774	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)C1	731036913	SEFMQYWHMLEYSC-HDICACEKSA-N	415.578	3.968	10	20	HHCD	
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1nc(-c2ccccc2)c(C)s1	917846987	LNBIRCYSELTURE-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)C2	742804649	AADYTAHSFBDTJW-UTKZUKDTSA-N	416.468	3.994	10	20	HHCD	
O=C(COc1cc(Cl)c(Cl)cc1Cl)OCC(=O)c1ccc(O)c(O)c1	916590284	XWDCNMMTTXKQMP-UHFFFAOYSA-N	405.617	3.863	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@H](c3ccccc3F)c3nccn3C)ccc21	746986132	XPWFGGFLXOORCS-OAQYLSRUSA-N	407.493	3.530	10	20	HHCD	
CCCNC(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	741210373	XBQCFFGWLHOELH-QHCPKHFHSA-N	423.557	3.714	10	20	HHCD	
CC[C@@](C)(NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(F)(F)F	747311523	UGZSJQNDFWVFON-LJQANCHMSA-N	420.343	3.831	10	20	HHCD	
Cc1cc(=O)oc2cc(OCC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)ccc12	914505921	FMRDBGBRBUZPBF-UHFFFAOYSA-N	408.498	3.983	10	20	HHCD	
O=C(NCc1ccc(O)c(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745834603	RHHDKAQFZNSYNO-CQSZACIVSA-N	409.408	3.601	10	20	HHCD	
CCOc1ccccc1N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	916587457	IFEOYWKQKRVVMB-UHFFFAOYSA-N	408.546	3.717	10	20	HHCD	
C[C@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1ccc(N2CCOCC2)cc1	741736224	OIFVREZADACQSG-MRXNPFEDSA-N	419.472	3.584	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1	743129598	CQDNNLRLQKXFAD-UHFFFAOYSA-N	424.545	3.614	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(-c4cc[nH]n4)cc3)cc2F)CC1	741067933	IHZQTUXTPRLSRP-UHFFFAOYSA-N	422.508	3.679	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1	916793313	HNDTVPNXLSKTRT-UHFFFAOYSA-N	404.438	3.632	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)cc1	918433766	GMLYNVXAEGXKSL-UHFFFAOYSA-N	414.525	3.771	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c2cccnc2c1C	743955954	NTSCMXAWOHIYME-UHFFFAOYSA-N	403.482	3.691	10	20	HHCD	
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(N2CC=CC2)cc1	741091073	WWHKHQMECWJCCP-XMMPIXPASA-N	419.573	3.654	10	20	HHCD	
C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(Br)cc1O	756602152	CLHZVTKQTQSVRV-RIFZZMRRSA-N	419.363	3.688	10	20	HHCD	
CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1	751138855	QDSGRJORGSEYJM-UHFFFAOYSA-N	404.507	3.732	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	751308228	SXWFNYQKIRAURO-OAHLLOKOSA-N	415.428	3.527	10	20	HHCD	
CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@H](C)c2cc(F)ccc2O)CC1	756770150	TYVVXCZGKUJCQU-QGZVFWFLSA-N	420.550	3.944	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(C(=O)NC2CC2)cc1	757933035	ZUGOLXTZJIXOGA-UHFFFAOYSA-N	410.429	3.607	10	20	HHCD	
C[C@H](NC(=O)NC1CCN(c2cccs2)CC1)c1ccc(N2CCOCC2)cc1	755130740	JZUXMQIVCNQLGH-KRWDZBQOSA-N	414.575	3.614	10	20	HHCD	
COc1cc(C(=O)N(C)C)ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O	752707653	DODVBLKUKJFBMQ-UHFFFAOYSA-N	423.469	3.930	10	20	HHCD	
CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751931050	LLSFWRHQVKHEQL-RHSMWYFYSA-N	401.532	3.653	10	20	HHCD	
CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCC[C@@H](C)C1	751945992	UOEINNIFYQEUCW-QRWLVFNGSA-N	415.559	3.756	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1noc(Cc2ccccc2)n1	752906988	JAIUCZYHVNUDKI-MRXNPFEDSA-N	405.502	3.603	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@@H](CC(=O)OC(C)C)C2)c1O	768529575	QEJPUBPBNNVMTO-ZDUSSCGKSA-N	400.313	3.717	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(OC2CCOCC2)cc1	765747957	RUSRBJMWZYRCQP-UHFFFAOYSA-N	406.276	3.643	10	20	HHCD	
O=[N+]([O-])c1ccccc1C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1	765285793	HHIZAISOPSEIRL-NRFANRHFSA-N	413.493	3.806	10	20	HHCD	
COc1cc(Cl)cc(CN(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1O	761202511	FOLNTEFCTJNNBF-AWEZNQCLSA-N	402.299	3.668	10	20	HHCD	
CC[C@H]1CCCN(C(C)(C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761273682	XURZTHJMJIEAJZ-HNNXBMFYSA-N	407.942	3.710	10	20	HHCD	
Oc1cc2c(cc1CN1CCc3[nH]c4ccc(Br)cc4c3C1)OCO2	768772158	YQQZMYSEGPLHRH-UHFFFAOYSA-N	401.260	3.923	10	20	HHCD	
Fc1cc(CNC[C@H]2C[C@@H]2c2ccccc2)ccc1N1CCN(c2ncccn2)CC1	767351100	VJHNDCZEKIHOQS-FGZHOGPDSA-N	417.532	3.836	10	20	HHCD	
Cc1nnc(-c2cccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)c2)o1	767932463	XEMSEFPIRVOYJE-UHFFFAOYSA-N	405.502	3.828	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c(Cl)cc(F)cc3Cl)cc2)C1	761600953	PPHLEZHMAFFVOS-CYBMUJFWSA-N	424.303	3.764	10	20	HHCD	
Cc1cc(Br)cn2cc(CN[C@H](C)c3cc([N+](=O)[O-])ccc3O)nc12	760880424	JSENJFABPFGBBD-LLVKDONJSA-N	405.252	3.870	10	20	HHCD	
COC(=O)CCc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1	765281798	PZJPLBBGTKAFHU-UHFFFAOYSA-N	407.264	3.582	10	20	HHCD	
COc1cccc([C@@H]2[C@H](C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC(=O)N2C2CC2)c1	773013364	XHEURKNNSFSVFZ-OHOZJJFFSA-N	421.541	3.691	10	20	HHCD	
CN1CCCN(CCCNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	772697479	MUKOOPIECPFRHQ-UHFFFAOYSA-N	422.577	3.925	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1F	772410289	GFIQPCSMIOFHGZ-UHFFFAOYSA-N	413.312	3.667	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1	777397281	IKGQVLOWRMOCPF-MISYRCLQSA-N	414.527	3.562	10	20	HHCD	
CC[C@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(Br)ccc1O	775493309	XEVNDQYXYBZQJU-QUCCMNQESA-N	419.363	3.615	10	20	HHCD	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	786708598	BAEHAJXNDUMRAF-QGZVFWFLSA-N	417.447	3.659	10	20	HHCD	
CCCCCC(C)(C)CNC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789868490	OWYAKEMEJJGXAI-UHFFFAOYSA-N	405.608	3.579	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N[C@H](C)c2cccc3ccccc23)cc1	784554067	JNNNTAKERUMTFA-QGZVFWFLSA-N	406.482	3.705	10	20	HHCD	
Cc1c(C(=O)N(C)Cc2ccccc2O)nnn1Cc1ccc(C(F)(F)F)cc1	787422933	BFDCWTQKDJTMMB-UHFFFAOYSA-N	404.392	3.631	10	20	HHCD	
CCn1ncc2c(=O)n(CC(=O)c3cc(C)n(-c4ccc(C)c(C)c4)c3C)cnc21	783325329	WMPBAKGLFWSCRI-UHFFFAOYSA-N	403.486	3.520	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1	792037842	DYVJOAHUZAHNNS-QUCCMNQESA-N	415.484	3.937	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)cn1	794802473	NNEITSTXCYKBSE-HNNXBMFYSA-N	404.352	3.904	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C	799239622	FTIQMMOKITTZGB-OAQYLSRUSA-N	411.502	3.754	10	20	HHCD	
CC(C)OC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCO1	799995586	PABUKRYFGLGAGA-MJGOQNOKSA-N	423.985	3.912	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCCOC3CCOCC3)cc2Cl)C1	799995616	QAPNMXVLLPGBAQ-QGZVFWFLSA-N	423.985	3.961	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1nc(Cc2ccccc2)no1	1527950328	UVSULDCLOVERJV-UHFFFAOYSA-N	421.545	3.889	10	20	HHCD	
C[C@@H](NC(=O)NCCSCc1ccccc1F)c1ccc(N2CCOCC2)cc1	65434131	ZZMILQHENZNTMQ-QGZVFWFLSA-N	417.550	3.956	10	20	HHCD	
C[C@H](NC(=O)Nc1cnc(-c2ccccc2)nc1)c1ccc(N2CCOCC2)cc1	140741814	XRZJDONFRNIOHM-KRWDZBQOSA-N	403.486	3.863	10	20	HHCD	
COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1	302845733	NPXCMRYFPJFVHL-UHFFFAOYSA-N	419.481	3.558	10	20	HHCD	
Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	302941307	LCUOLWXMVOEVRC-UHFFFAOYSA-N	411.527	3.850	10	20	HHCD	
Cc1cc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1	303222608	VSJPDASEMMTLIO-ROUUACIJSA-N	408.546	3.583	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(C(C)C)C2=O)c(C)n1-c1ccccc1Br	303562601	LKCFSNIQVXCTJB-QGZVFWFLSA-N	418.335	3.596	10	20	HHCD	
Cc1ccc2c(C3=CCN(c4cc(S(=O)(=O)N5CCCC5)ccn4)CC3)c[nH]c2c1	552962923	HZBMIJRSGFPZIC-UHFFFAOYSA-N	422.554	3.950	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CNC(C)(C)c3ccccc3)cc2F)C[C@H](C)O1	725800105	ZHORUERYHAZDSM-ROUUACIJSA-N	413.537	3.580	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1O	725845925	PQEPUKKAMBSPTQ-NSHDSACASA-N	405.292	3.899	10	20	HHCD	
O=C1/C(=C\c2cnc(-c3ccccc3)nc2)SC(=S)N1CCc1ccccn1	726196419	PVQLCMANGSDEJU-LDADJPATSA-N	404.520	3.983	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CSc2nnc(-c3cccs3)n2C)cc1	726755083	VSNOUVRMWQQDNX-UHFFFAOYSA-N	415.588	3.798	10	20	HHCD	
Cc1oc2c(CN3CCC[C@@H](CCC(N)=O)C3)c(O)ccc2c(=O)c1-c1ccccc1	727167108	GDOVKBCZEKVRGU-KRWDZBQOSA-N	420.509	3.952	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	727244132	VHEUQSLYHMESLR-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2ccccc2C)nc1-c1ccccc1	727250463	LBMTTYYFRRQNGZ-UHFFFAOYSA-N	402.497	3.635	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCN(Cc3cccs3)CC2)c1O	728194350	KZOGKFMTOQSAMJ-UHFFFAOYSA-N	408.523	3.708	10	20	HHCD	
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C1	728745118	NMJXHGUZJMFMBQ-AZUAARDMSA-N	400.567	3.513	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(Cl)c(Cl)n3C)cc2F)CC1	730193197	YYTHZBRAXPFXTC-UHFFFAOYSA-N	413.324	3.543	10	20	HHCD	
Cc1nc(COc2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2)no1	730954368	UOBUGJAGERUGBQ-UHFFFAOYSA-N	411.531	3.770	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCCn3c(=O)oc4ccccc43)cc2)CC1	731015115	IDEGKQGMAPVIRX-UHFFFAOYSA-N	407.514	3.927	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3c(N(C)C)ncnc32)c(C)n1-c1ccc2c(c1)CCC2	731566905	IYQNTOIYKHGOKF-UHFFFAOYSA-N	414.513	3.671	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC[C@@H](c2ccco2)C1	732242067	VYNPATHQDRIDPF-MRXNPFEDSA-N	423.435	3.834	10	20	HHCD	
CCc1cc(N2CCC[C@H](NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)C2)ncn1	732916439	QYUCHNGVLOYOPH-FQEVSTJZSA-N	421.520	3.984	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(OCC3CC3)cc2)C2CC2)cc1	733665123	KVVAVQWBOTVBPC-UHFFFAOYSA-N	407.514	3.671	10	20	HHCD	
CCOC[C@H]1CCCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C1	733792987	ZJDJJYLQBVWZEM-JTQLQIEISA-N	418.244	3.527	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3OCCc4ccccc43)cc2F)C[C@@H](C)O1	734320206	KBYMHOFRHAROKI-QZMQVMSPSA-N	412.505	3.760	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@H]2CCCO2)c(C)n1-c1ccc(Br)cc1	734446290	WDKMMZCINGBXQF-GOSISDBHSA-N	421.335	3.782	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CNC(=O)c2sccc2-n2c(C)ccc2C)c1	735697610	XKENXVOAYXOANJ-LJQANCHMSA-N	400.500	3.636	10	20	HHCD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	736197064	YUHYKQYGKOWJBO-FOVJLYNBSA-N	416.606	3.989	10	20	HHCD	
COC(=O)CN(C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)C1CCOCC1	742955394	DXUVAZZJZNRBTR-UHFFFAOYSA-N	404.894	3.542	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3[C@H]4CCCC[C@H]4C[C@H]3C)cc2F)C[C@@H](C)O1	743853665	BRHMKISNIBMIMG-SIXGNSJNSA-N	417.569	3.709	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)[C@@H](O)C2CC2)c(C)n1-c1ccc(OC(F)F)cc1	744988389	DTPKJEYXMPYPMU-YJYMSZOUSA-N	407.413	3.581	10	20	HHCD	
CCN1CCN(CCCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1	745510072	MOEHVJAQHMQECK-UHFFFAOYSA-N	416.610	3.654	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@H](N2CCCCC2)C1	745904987	VZIBSAHNRUPTMX-HKUYNNGSSA-N	422.520	3.527	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1	747387735	GYGDWPQKLMNQIP-QGZVFWFLSA-N	424.501	3.867	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cccc(CS(C)(=O)=O)c1	749244601	LIQKIBDHFQWKGO-UHFFFAOYSA-N	402.541	3.630	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H](C)c2ccc(F)cc2O)s1	756534449	KVDHITZHRMDCHO-ZDUSSCGKSA-N	400.541	3.517	10	20	HHCD	
C[C@H]1C[C@H](C)CN(C(C)(C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761152365	ZACBLRXFQWXCDF-GJZGRUSLSA-N	407.942	3.566	10	20	HHCD	
O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc([C@@H]2CCCO2)no1	762246118	ZATNDESVNAFHQW-IXJPEXDMSA-N	407.542	3.817	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)NCc2cccc(Br)c2O)C1	764763565	NLBWCWAVDNBDAY-HUUCEWRRSA-N	412.372	3.712	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCCCC2)cc1	765332546	RADHUQPLPAWTEC-AVRDEDQJSA-N	423.557	3.652	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc([S@](C)=O)cc3)cc2F)CC1	765851988	ILYRCLLBPRCOGQ-HPGBDJQBSA-N	403.567	3.556	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(Br)nc1	766162488	MCPSCAGKBDADQV-UHFFFAOYSA-N	407.337	3.719	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)cc1F	766414908	OFQFFIFZTQLCEL-CABCVRRESA-N	408.395	3.704	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(OC)c(C2CC2)c1	768178767	GCIDKYZQYHYMSG-UHFFFAOYSA-N	403.862	3.747	10	20	HHCD	
Cc1nn(C)c2sc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc12	768912545	NTHLEYMOWDMOIT-OAHLLOKOSA-N	418.950	3.697	10	20	HHCD	
CCOc1ccc(O)c(CN2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c1	769161154	LRTKGWAYLWOKPY-HNNXBMFYSA-N	414.531	3.781	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCn2c(cc3c(Cl)cccc32)C1	770314829	CFSYFODLXZSELA-UHFFFAOYSA-N	424.932	3.857	10	20	HHCD	
C[C@H](NCC1(N2CCCCC2)CCOCC1)c1ccc(N2CCOCC2)cc1Cl	772982444	VWTGMMRURYGXJU-IBGZPJMESA-N	422.013	3.862	10	20	HHCD	
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1C	773017525	HBYTXRCAMOOJMQ-KRWDZBQOSA-N	417.575	3.583	10	20	HHCD	
C[C@@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)c(Cl)cc1O	774161080	KSJUNSYSMGCLHG-DGIBIBHMSA-N	408.285	3.604	10	20	HHCD	
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1cc(Cl)c(Cl)cc1O	774304734	XJNJZWBGDSNDIH-KUHUBIRLSA-N	424.372	3.639	10	20	HHCD	
C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)c1ccc(N(C)C)cc1	775402792	CNXCKJSMJDXIOK-LBPRGKRZSA-N	414.303	3.848	10	20	HHCD	
CN(Cc1cc(Br)cc(Br)c1O)C[C@@H]1CCCC[C@@H]1O	779154599	WQDRNMGWSXXNDG-HZMBPMFUSA-N	407.146	3.900	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1	779518711	FZOYXVMYXDPNAM-XFFZJAGNSA-N	420.509	3.541	10	20	HHCD	
COc1cc2ccccc2cc1C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1	781045116	FECVRZOBLQWEOX-UHFFFAOYSA-N	403.482	3.769	10	20	HHCD	
CC(C)c1cc(NC(=O)NCCCSc2nccs2)n(-c2ncccn2)n1	789260562	RZYGOIBFSFKUCC-UHFFFAOYSA-N	403.537	3.546	10	20	HHCD	
COc1cc(CN2CCN(Cc3c(O)ccc(Cl)c3F)CC2)cc(OC)c1OC	792170759	WTYMRKPVTPEMMT-UHFFFAOYSA-N	424.900	3.528	10	20	HHCD	
Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccc(Cl)c1O	793610204	BZVYASLZSDHMIN-INIZCTEOSA-N	406.914	3.573	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1	800708714	VHPKSZPKULUCJZ-HSZRJFAPSA-N	411.933	3.917	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@](C)(O)C(F)(F)F)cc2Cl)C1	800719898	PFFCTEAAYKPPLG-SJKOYZFVSA-N	407.864	3.689	10	20	HHCD	
CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	803122165	YIHOWHGQDDIYCN-CYBMUJFWSA-N	419.319	3.974	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1c(F)c(F)cc(F)c1F	805135030	DWMANKSMDQSHBS-UHFFFAOYSA-N	404.168	3.734	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CN(C(=O)OC(C)(C)C)C1	806666987	TVRQVUIDNJELGQ-QGZVFWFLSA-N	401.551	3.796	10	20	HHCD	
CCN(C)C(=O)c1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	806774929	LZGYWFVQPIEXKR-UHFFFAOYSA-N	412.559	3.653	10	20	HHCD	
CCN(CC)CC(=O)Nc1cccc(NCc2ccc(N3CCOCC3)c(F)c2)c1	808434853	UUBZVIUFQYTKAU-UHFFFAOYSA-N	414.525	3.555	10	20	HHCD	
CC[C@]1(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)OCCc2ccccc21	811868303	TVMXGYWJQXGASJ-UQBPGWFLSA-N	423.557	3.762	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc4sccc4c3)cc2)C1	811926531	SHZHZPYPQMJNCY-IBGZPJMESA-N	422.554	3.602	10	20	HHCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(N2CCCNC2=O)cc1	812941433	IFVDHHASJWXJIP-INIZCTEOSA-N	422.529	3.751	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)Cc3cnc4ccccc4n3)CC2)cc1	815257546	CEKGEHIDZAQPAV-QGZVFWFLSA-N	404.514	3.602	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)cc1	915338435	ORXDUJWGXMPIGL-UHFFFAOYSA-N	403.548	3.990	10	20	HHCD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2	915757001	IMYLCHUJBAWOSL-HXUWFJFHSA-N	414.469	3.813	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@H]3CCC[C@@H](C)C3)cc2F)C[C@H](C)O1	917058811	YOFYSSIVRKDXFC-LXZJYRNTSA-N	405.558	3.566	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cccc(OCC(=O)N(C)C)c1	918095560	CFSXKYLEDLHCMT-UHFFFAOYSA-N	411.527	3.553	10	20	HHCD	
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)C2)nc1	918131119	FYIVYNQXXHBMAD-IBGZPJMESA-N	417.513	3.683	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccccc3C(C)C)CC2)cc1	920254811	NJTVFSSRMNJTOS-SEYXRHQNSA-N	407.514	3.662	10	20	HHCD	
COc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1Br	1116632208	FDLWCPZGYNIUTN-UHFFFAOYSA-N	406.280	3.955	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C(N)=O)c3ccc(Cl)cc3)c2C)cc1	1124082462	NISXETPPSQFYJF-HXUWFJFHSA-N	411.889	3.713	10	20	HHCD	
CCN(Cc1ccncc1)[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1319660217	MSDLMYVCXIBVFG-MRXNPFEDSA-N	413.477	3.706	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1	1335934615	NINNNESCVQKDJB-HXUWFJFHSA-N	412.921	3.744	10	20	HHCD	
Cc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cnn1C	13297213	BGCULUIRVVUKFU-UHFFFAOYSA-N	417.412	3.777	10	20	HHCD	
O=C(Nc1ccc(-c2nc([C@@H]3CCOc4ccccc43)no2)cc1)C1=S=CC=C1	546401975	ZDJOTFIQVHFNJQ-QGZVFWFLSA-N	403.463	3.867	10	20	HHCD	
COCCS(=O)(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	725824587	XWPBIWJKLBCBKQ-QGZVFWFLSA-N	416.465	3.748	10	20	HHCD	
O=C(NCc1ccc(OC2CCCC2)cc1)NCc1ccc(N2CCOCC2)cc1	726236795	SAXCJCGTFNMCAQ-UHFFFAOYSA-N	409.530	3.844	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnc(OC(C)C)c(Cl)c3)CC2)cc1	726562314	IIKHKNRPBSDMHP-UHFFFAOYSA-N	403.910	3.930	10	20	HHCD	
Cc1cccc(-c2cccc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3O)c2)c1	726801504	XIZCOSRYFXICBD-UHFFFAOYSA-N	410.495	3.669	10	20	HHCD	
CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C2CC2)no1	727940096	BLPKKZJOYLUNIC-KXBFYZLASA-N	413.522	3.541	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1	728222312	FMXYMONIECCJDP-LJQANCHMSA-N	409.530	3.553	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCCN1C(=O)c1ccccc1	729322280	GABMQRQATNENKR-QFIPXVFZSA-N	423.582	3.551	10	20	HHCD	
C[C@@H](C(=O)NC1CCCC1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	731035930	BBGXBDDEXWHSSS-INIZCTEOSA-N	401.551	3.911	10	20	HHCD	
CC(=O)CCc1ccc(OCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	731856128	KQUAPLQHEIQHOU-QFIPXVFZSA-N	411.498	3.500	10	20	HHCD	
Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	733343487	QURYZYFHABSTHD-NRFANRHFSA-N	411.521	3.887	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1	733973785	WRQBGBXJKWHPPW-INIZCTEOSA-N	411.552	3.948	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl	740908160	XHHGTQFZKMICMJ-KSSFIOAISA-N	421.875	3.810	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(C/C=C\c2ccccc2)CC1	740919128	CCJFJIFHBUIIDM-TWGQIWQCSA-N	402.542	3.603	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(SC(F)F)c1	741097705	WBLRFLLTCGAZHA-UHFFFAOYSA-N	403.454	3.632	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H](c2ccccc2)N2CCCCC2=O)C2CC2)cc1	741900967	NZUCPCVGTNXNOI-DEOSSOPVSA-N	405.542	3.997	10	20	HHCD	
Cc1nsc(N2CCN(C(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)CC2)n1	742192074	QRTVMPMVVFSFOV-UHFFFAOYSA-N	415.950	3.870	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(CNC(C)=O)cc1	743158931	VZSOMABTFHOUAQ-UHFFFAOYSA-N	420.307	3.845	10	20	HHCD	
CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	746363182	MZPVGHCALGLKOU-QGZVFWFLSA-N	424.501	3.956	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1	748622714	FJTNNVIFPMGPSD-UHFFFAOYSA-N	400.435	3.896	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)c2c(c1)OCCO2	748708710	SVZIFZHFDVMNEY-UHFFFAOYSA-N	417.303	3.751	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1	749303995	VJPGUUYYVPMWCZ-UHFFFAOYSA-N	404.555	3.730	10	20	HHCD	
Cc1cccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1O	751071006	PDWHYDQZSHAAQA-UHFFFAOYSA-N	404.469	3.521	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc2c1oc(=O)n2C	753356718	VMRZLNQHTNMNNH-UHFFFAOYSA-N	420.263	3.654	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1	753369168	AVZDKQBWZZVPLY-OYHNWAKOSA-N	421.538	3.798	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ncc(Cc2ccccc2)s1	756098411	GMCWUUNGSKWNGR-UHFFFAOYSA-N	421.522	3.573	10	20	HHCD	
C[C@H](CO[C@@H]1CCOC1)N[C@H](C)c1cc(Br)cc(Br)c1O	756641045	RTZLHYSDWGPGJO-CKYFFXLPSA-N	423.145	3.762	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)c(F)cc1O	756712411	PUWYCDUTMWYPRR-ZUZCIYMTSA-N	411.246	3.889	10	20	HHCD	
C[C@@H](NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1cc(F)ccc1O	756774927	FEMXJIDKYPEUTP-CQSZACIVSA-N	410.486	3.564	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(F)cc1F	758164708	ZMWVBPQBZKDFAN-UHFFFAOYSA-N	412.197	3.565	10	20	HHCD	
O=C(CCCc1cccc(Br)c1)NCc1ccc(N2CCOCC2)cc1	760434668	MZYYLGQDKLNSIS-UHFFFAOYSA-N	417.347	3.925	10	20	HHCD	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCc1ccc(O)c(O)c1	762275730	YTGGUTRPXJTYNV-UHFFFAOYSA-N	402.447	3.553	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(N2CCCCC2)c(F)c1	765932642	UJBYSWMWEYKVSA-MJGOQNOKSA-N	410.537	3.844	10	20	HHCD	
CC(C)(C)OC(=O)C1CCC(NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	768589084	SPPXZVXNTHWLLS-UHFFFAOYSA-N	406.542	3.777	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2C[C@@H](C)[C@@H](O)C2)sc(C)c1-c1ccccc1	768770996	SEENDZAXOWUTKT-PBHICJAKSA-N	416.543	3.541	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2SCC(F)(F)F)c1	769654542	WAUUPWSFCOMRNE-UHFFFAOYSA-N	420.434	3.670	10	20	HHCD	
C[C@@H](NCCOc1ccc(C(F)(F)F)cn1)c1ccc(N2CCOCC2)c(F)c1	773057826	GJRNDSFQJIVJEG-CQSZACIVSA-N	413.415	3.806	10	20	HHCD	
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1=O	773740548	QKAPLWPEGMWQGP-BQFCYCMXSA-N	410.514	3.712	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H](CO)Cc3cc(F)c(F)c(F)c3)CC2)cc1	774397550	UAYOITHJEWYDKF-INIZCTEOSA-N	408.464	3.522	10	20	HHCD	
CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	775420055	HIGWLJOWFRWSAN-LJQANCHMSA-N	416.610	3.992	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)c2)CC1	784159404	QAFIRYLPBMAIPG-UHFFFAOYSA-N	409.383	3.765	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)C1=Cc2ccccc2OC1	788896761	ADZFOYAKZLTGOL-UHFFFAOYSA-N	424.316	3.740	10	20	HHCD	
CC[C@H](NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccc(C)cc1O	794803121	PRHNRANTLHCWNG-CTNGQTDRSA-N	412.530	3.616	10	20	HHCD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	795856756	OBSOEYLJNGXOND-MBSDFSHPSA-N	410.514	3.540	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(CC(F)(F)F)CC3)c2C)cc1F	800742115	SPQPLFKBHMJPEI-UHFFFAOYSA-N	411.443	3.904	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCC3(c4cccc(F)c4)CC3)cc2)CC1	805026051	AEZSLBVGLCYHKI-UHFFFAOYSA-N	423.532	3.526	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	807099452	WEIXWCJUSQOQQX-GOSISDBHSA-N	416.525	3.617	10	20	HHCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H](C)[S@@]1=O	807331441	JSVFNQACYWVCBP-IRPHDMRXSA-N	412.515	3.799	10	20	HHCD	
Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1cccc(Br)c1O)N(C)C	807406928	FHIHWAXIJQYJHI-KSSFIOAISA-N	420.351	3.954	10	20	HHCD	
COc1ccc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)c(OC)c1OC	807838603	YYILOTWSMWHWIJ-UHFFFAOYSA-N	414.285	3.974	10	20	HHCD	
Cc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc(N2CCCC2)n1	812541997	MRRIUXYZQHLFOG-OAQYLSRUSA-N	424.545	3.587	10	20	HHCD	
CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(N[C@H](CCc1ccccc1)c1ccccc1O)C2	815625873	OPSZDJIWNQJQQU-WPFOTENUSA-N	421.585	3.739	10	20	HHCD	
Cc1cccc([C@@H]2C(=O)NCCN2Cc2ccc(OCc3ccccc3)cc2O)c1	848950549	HMPASHQXTSBRLN-XMMPIXPASA-N	402.494	3.953	10	20	HHCD	
Cn1nc(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21	857458608	YHFVTJWUCQQYJW-HNNXBMFYSA-N	414.456	3.502	10	20	HHCD	
Cc1onc(-c2ccc(F)cc2)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	914754671	QORFUPXPRPIIHU-UHFFFAOYSA-N	409.461	3.898	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3cccc(C(=O)N(C)C)c3)c2C)cc1	914765996	BVAQQVFZEKJMKH-UHFFFAOYSA-N	405.498	3.735	10	20	HHCD	
COCc1cccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	916677784	LLWAJTHHLMSCFH-HZPDHXFCSA-N	401.482	3.907	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1	918565895	VDIPTUGMTFDIJH-QHCPKHFHSA-N	421.585	3.971	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(CN2CCCCC2=O)cc1	918617547	XKYUECAHZSQBNF-UHFFFAOYSA-N	423.582	3.682	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCCC2=O)sc(C)c1-c1ccc(C)cc1	920095795	XEYHOLVJHXNECG-UHFFFAOYSA-N	400.500	3.770	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c(C)n1-c1nccs1	920473550	VTNUGAZIRGDNAN-LFIBNONCSA-N	418.613	3.846	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)cc1	141031714	AUDZQTQGCMYNOD-HNNXBMFYSA-N	405.445	3.685	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCOc1cccc(Br)c1	437008667	UNPRIRDTEHZHAT-UHFFFAOYSA-N	405.292	3.710	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(I)c(F)c1	808095159	UAQOORGAKXSKIL-UHFFFAOYSA-N	420.218	3.552	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnn(CC(C)C)c2C2CC2)cc1	806852530	ATGMFMCHBIYOJP-UHFFFAOYSA-N	411.550	3.518	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)c1C	804121492	JRJSDSPJVGPQBE-FQEVSTJZSA-N	416.481	3.916	10	20	HHCD	
CN(C)C(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1	728838484	IWKJLWJJMOXEMY-UHFFFAOYSA-N	407.436	3.659	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cc(Br)cs3)CC2)cc1	726709552	UECVBFVOXZSDGD-UHFFFAOYSA-N	424.408	3.821	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(C3CCCC3)C3CC3)ccc21	728639312	OWYWPIGFSFQQND-UHFFFAOYSA-N	412.530	3.995	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(NCc3c(O)cccc3Cl)CC2)cc1	733326269	SIFRRNTZUQCBAQ-UHFFFAOYSA-N	408.951	3.598	10	20	HHCD	
Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nn1-c1ccccc1	731579157	YRLMUPQEUZZGFY-UHFFFAOYSA-N	417.435	3.846	10	20	HHCD	
CNC(=O)C1(C(=O)OCC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)CC1	730044746	GFFGLERWKXMXCV-UHFFFAOYSA-N	423.296	3.653	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1	734661321	IVOVSPVQIVQELS-UHFFFAOYSA-N	404.555	3.650	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)cc1)C1CCCCC1	737160022	XXBHESYFJRHBDB-UHFFFAOYSA-N	423.561	3.798	10	20	HHCD	
CCCO[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	731034457	HFHBUQPZGIVFKK-GOSISDBHSA-N	420.509	3.682	10	20	HHCD	
COc1cc(C=O)ccc1OCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	731618753	SKUJTFCLMYAODY-UHFFFAOYSA-N	410.514	3.972	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCCC[C@H]3CN3CCCC3=O)cc2)CC1	732463605	KISULCBBOZTRNO-QFIPXVFZSA-N	412.578	3.609	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(CN2CCCC2=O)cc1	918125292	YXARHFCYBHGXNP-UHFFFAOYSA-N	408.546	3.607	10	20	HHCD	
CC(C)(C)c1ccc(-c2ccc(/C=C3\SC(=S)N(CC(N)=O)C3=O)o2)cc1	743282516	NVILKOQOOWQTOV-YBEGLDIGSA-N	400.525	3.931	10	20	HHCD	
CC[C@@](C)(NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nccs1	744404650	VROHXSSCNCCSQX-HSZRJFAPSA-N	419.506	3.772	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc2c(c1)CCO2	745795515	YGFSMEOZVFNWBG-UHFFFAOYSA-N	405.292	3.821	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC(N4CCCNC4=O)CC3)c2C)c1	748935065	FFDYUNSARBHFHV-UHFFFAOYSA-N	408.546	3.731	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCc3c[nH]nc3C2)cc1	742658951	HAZRWPITICIFLN-SFHVURJKSA-N	404.514	3.823	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H](O)COc2ccc(Br)cc2)C2CC2)cc1	917014286	QUQUYWMHBRESIQ-HXUWFJFHSA-N	419.363	3.919	10	20	HHCD	
COc1ccccc1CN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1	918223681	HKJXNPXTNIKKKH-UHFFFAOYSA-N	413.493	3.545	10	20	HHCD	
CCC(CC)N(CC(C)C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	748618694	PTJVJRXZPHZAFO-IBGZPJMESA-N	402.583	3.745	10	20	HHCD	
CC(=O)N[C@H](C)C(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	916438564	QBXBCINUSDEGGN-ACJLOTCBSA-N	407.436	3.823	10	20	HHCD	
Cc1cc(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1	749403349	UWWVDUALXVFUEO-SFHVURJKSA-N	401.507	3.958	10	20	HHCD	
O=C(NCCCCOc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1	919790896	RWZFZDPBORYZTK-UHFFFAOYSA-N	417.937	3.835	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cnn(-c2ccccc2F)c1	743045462	LIZPLLAGKTWMLK-UHFFFAOYSA-N	400.460	3.936	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2c(C)nn3cccnc23)c1C	920537279	YDXDYFSESKEREK-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(F)ccc1Br	758270091	JBMPOZHEJNTTEX-UHFFFAOYSA-N	408.271	3.747	10	20	HHCD	
COc1cc(N2CCN(Cc3cccc(OC(C)(C)C)n3)CC2)cc(OC)c1OC	759886208	OGSILGDBJAWMRX-UHFFFAOYSA-N	415.534	3.607	10	20	HHCD	
Cc1cc(-c2nnc(N3CCOCC3)n2C[C@H]2CCCCO2)c(C)n1-c1ccccc1	752852246	FZSVDKNKWMHXNG-OAQYLSRUSA-N	421.545	3.758	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1C	753704901	LCDPIFPUNFLFTQ-NHCUHLMSSA-N	400.544	3.584	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)c1	756106336	ONHVQGULNSOCPK-GFCCVEGCSA-N	403.504	3.721	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1nc(Cl)ccc1F	758497543	XJTJTHYMBFLQKO-UHFFFAOYSA-N	417.790	3.660	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1cccc(N2CCCC2=O)c1	759568437	GDMDSDIVWBYNNY-AWEZNQCLSA-N	404.561	3.813	10	20	HHCD	
CN(Cc1cc(Br)cn1C)C(=O)NCc1ccc(N2CCCC2)cc1	758694071	IMSWAXCQCUNIBI-UHFFFAOYSA-N	405.340	3.729	10	20	HHCD	
O=C1C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c2ccc(F)cc2N1	754537492	PLAFPTYMTAGVIT-LJQANCHMSA-N	414.392	3.666	10	20	HHCD	
CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc21	758164892	UNHPSJYMXIRHSA-UHFFFAOYSA-N	415.298	3.799	10	20	HHCD	
COc1cc(Br)cc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1O	768534098	ZWDYYCMGBPTYEQ-HNNXBMFYSA-N	412.246	3.689	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)c2)CC1	767383744	RIPZYBIOWMRFBN-UHFFFAOYSA-N	424.570	3.904	10	20	HHCD	
COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	765838096	HAHMEVOZFCWTNH-OAHLLOKOSA-N	402.800	3.971	10	20	HHCD	
C[C@H](CN1CCN(c2ccccn2)CC1)N[C@H](C)c1ccc(N2CCCCC2)cc1	766070795	KIJRHNDXVYYISV-FGZHOGPDSA-N	407.606	3.933	10	20	HHCD	
O=C(NCc1cc(-c2ccccc2)no1)NCc1cccc(Br)c1O	764784120	OLYFVBIARJVJLG-UHFFFAOYSA-N	402.248	3.809	10	20	HHCD	
CCO[C@H]1COCC[C@H]1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	760054170	VLAIHJWPRXUOOK-MJGOQNOKSA-N	421.335	3.780	10	20	HHCD	
O=C(CCCCOc1ccc(Br)cc1)NCCc1ccc(O)c(O)c1	762268593	MZGNTDOGKXYKFD-UHFFFAOYSA-N	408.292	3.768	10	20	HHCD	
Cc1cccc2nc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cn12	1115953729	LZQZYNRRXCDVKL-UHFFFAOYSA-N	400.429	3.643	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1	772464000	YMXRKYBKNYNVJE-QLFBSQMISA-N	407.511	3.549	10	20	HHCD	
COc1ccc(F)cc1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	773019944	IQRMBPJEXKBKQH-MRXNPFEDSA-N	408.420	3.763	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)C(C)(C)c3ccc(OC)c(OC)c3)CC2)cc1	1116421214	KFQDHFBNMYNUFN-UHFFFAOYSA-N	412.530	3.729	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(N(C)C)cc1	776237486	ALQGMKBTJZSCKF-MRXNPFEDSA-N	420.517	3.848	10	20	HHCD	
Cc1cc(Br)cc(CN2CCC(NC(=O)c3ccccc3)CC2)c1O	775645869	RYYCQEOVCRZBDN-UHFFFAOYSA-N	403.320	3.858	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1O	775080886	NKQVVHMLWVMMEB-CYBMUJFWSA-N	411.380	3.696	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H](NC(C)=O)C(C)C)c2C)c1	779377529	JEPFFWYIOWLYCL-OAQYLSRUSA-N	416.543	3.703	10	20	HHCD	
COc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c(OCCOC(C)C)c1	789816330	KEBLIXCNOBLZHJ-OAHLLOKOSA-N	403.475	3.704	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)cc1	785984029	BWXHDXUJOBSHKP-HSZRJFAPSA-N	411.502	3.685	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1	782647749	FQWOKIRKLURUNP-SOUVJXGZSA-N	407.511	3.597	10	20	HHCD	
COC(=O)C1(CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CCOCC1	782062098	FDBYVXMZQOHHTG-UHFFFAOYSA-N	412.530	3.917	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(C)c(N3CCNC3=O)c2)cc1F	786365008	FBEWXVDXGLPXJR-UHFFFAOYSA-N	413.497	3.832	10	20	HHCD	
Cc1cn2cc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@@H](C)c3ccccc3)ccc2n1	783482457	HQRNEBSCQQLPSF-KRWDZBQOSA-N	413.481	3.958	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C(=O)OC(C)(C)C)cc3)c2)CC1	781046062	ZGAKINAJRNYUBD-UHFFFAOYSA-N	423.513	3.563	10	20	HHCD	
COc1ccc(C[C@H](C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC	781293932	ZWTPJWFCDYJIMP-KRWDZBQOSA-N	414.571	3.752	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cn1c(C)nc2ccccc21	791247733	HSXRKQFALKTTEY-UHFFFAOYSA-N	422.529	3.733	10	20	HHCD	
CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c1	794001259	BLOCTULTCVJBLP-UHFFFAOYSA-N	423.903	3.836	10	20	HHCD	
COc1ccc(CNC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)c(O)c1	794381231	NDYCDNSTDUJMPU-UHFFFAOYSA-N	400.862	3.970	10	20	HHCD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1318924124	RFJWSJCPNNSWGN-XJKSGUPXSA-N	406.477	3.592	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)n1Cc1ccco1	1318694277	KNNFWWDEPLCWEM-UHFFFAOYSA-N	421.541	3.885	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCc4cn(C(C)C)nc43)CC2)cc1	1323972513	ZPHAYRRGHBXLBX-OAQYLSRUSA-N	411.550	3.772	10	20	HHCD	
CC(C)n1ncc2c1[C@H](NC(=O)NCc1ccc(N3CCSCC3)cc1)CCC2	1338003235	YGUARUXEEXCXKX-HXUWFJFHSA-N	413.591	3.894	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(-c2ccc(F)cc2)o1	7290375	QJDVZKVWAZGSDJ-UHFFFAOYSA-N	400.479	3.692	10	20	HHCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1cc2ccccc2nc1N1CCOCC1	21191571	KLCUYADLUZPNFL-XDJHFCHBSA-N	408.527	3.528	10	20	HHCD	
COc1cccc(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1O	237411307	JAIKQILLSUMKNE-KRWDZBQOSA-N	408.420	3.873	10	20	HHCD	
Cc1nn(C)c2ncc(CN[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12	237903846	CHLMTYOCPVZFCT-INIZCTEOSA-N	401.461	3.637	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3ncnc4sc5c(c34)CCCC5)cc2)CC1	302717061	NPJJRTVVRHVILS-UHFFFAOYSA-N	421.570	3.851	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(C(F)(F)F)(C(F)(F)F)C1	303729306	YSBKQCGQVZWHJU-UHFFFAOYSA-N	411.390	3.528	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4)ccc21	482778472	GDWNWQWLKSIYMP-OAHLLOKOSA-N	405.498	3.890	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c(OC(C)(C)C)c1	583342037	PXCHAUFJHOGJAC-UHFFFAOYSA-N	421.541	3.905	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1	727251321	YUTNJQIXOIHTBF-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H]2CCCCNC2=O)c(C)n1-c1ccccc1Br	728701485	GUZWEDJOPSWAMN-SFHVURJKSA-N	418.335	3.597	10	20	HHCD	
CCOC(=O)N1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1	728839160	FPQZGYRCPNPZEH-INIZCTEOSA-N	415.456	3.512	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1	728979711	KWZUJPBKFWFSFB-AWEZNQCLSA-N	412.873	3.755	10	20	HHCD	
Cc1cccnc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	729437659	KNMIRNHEDBJTMR-WJDWOHSUSA-N	417.581	3.749	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc(CC(=O)NC4CCCCC4)no3)ccc21	731786203	UMNOKGPNTAKGHJ-UHFFFAOYSA-N	410.518	3.946	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC[C@@H]1c1ccc[nH]1	734269913	MJFMOYOXLYDIHJ-LJQANCHMSA-N	422.451	3.917	10	20	HHCD	
COc1cccc([C@H](C)N2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)c1	734688881	SWUPKILCIPZZAC-IBGZPJMESA-N	410.562	3.658	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	741178513	UPHPNZJCDULNIU-FQEVSTJZSA-N	414.594	3.711	10	20	HHCD	
O=C(NCCCSc1nccs1)c1c[nH]cc1-c1ccc2c(c1)OCCO2	742074836	NKWOSYHBDFEKHX-UHFFFAOYSA-N	401.513	3.822	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@@]3(C)CCc4ccccc4C3)CC2)cc1	742491455	MVARSPYBOUVXKC-SANMLTNESA-N	421.585	3.519	10	20	HHCD	
CCc1nsc(N2CCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2)n1	742906476	DKOAGUOFJZORDF-UHFFFAOYSA-N	401.561	3.532	10	20	HHCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(N2CCOC2=O)cc1	743570338	SFWUYTGUUZGFJI-HNNXBMFYSA-N	409.486	3.788	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccnn3C3CCCCC3)cc2)CC1	743905040	IOANTBQPZMWEDA-UHFFFAOYSA-N	423.561	3.880	10	20	HHCD	
COC(=O)CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCOCC1	744425422	HCTPCJQSLIRKJU-UHFFFAOYSA-N	410.474	3.695	10	20	HHCD	
Cc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1Br	746854647	GRCYLTFSNGWWQX-UHFFFAOYSA-N	416.319	3.712	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1)C1CCCCC1	747104234	SQTOHVXYCAXQHU-QGZVFWFLSA-N	412.500	3.891	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC3CCN(c4ncccn4)CC3)c2C)c1	749349641	ODIHWOCOAPJWHB-UHFFFAOYSA-N	403.530	3.900	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)Nc3ccccc3O)CC2)c1O	750035022	BXPZIIFFCIYSMO-UHFFFAOYSA-N	402.878	3.805	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	751137705	VKUYRLTTWKAQSH-UHFFFAOYSA-N	416.543	3.899	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2nccn2CCCc2ccccc2)c1	751611889	KBBBYBKZIPROFM-KRWDZBQOSA-N	408.502	3.791	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3ccn(-c4cccc(F)c4)n3)cs2)cc1	751930572	HRBWOMWKCLSYPR-UHFFFAOYSA-N	408.458	3.998	10	20	HHCD	
O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	752467417	PJBKPSFAQQOKIJ-DEOSSOPVSA-N	414.465	3.991	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(OCc2cn3ccccc3n2)c1	753645113	SPGOLORFXUOGKQ-MRXNPFEDSA-N	417.465	3.686	10	20	HHCD	
C[C@H](NCC1(N2CCCC2)CCOCC1)c1cc(Br)c(F)cc1O	756543488	PFDSWDASWJFNGN-ZDUSSCGKSA-N	401.320	3.589	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)C(F)(F)F)c(C)n1-c1ccccc1Br	758271391	OTDVZNTVWQWSLZ-CQSZACIVSA-N	405.214	3.510	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)cc(OC)c1OC	759220929	KMDJOYHIPBMPMM-RMKNXTFCSA-N	416.905	3.728	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc4cc(F)ccc4o3)CC2)cc(OC)c1OC	759236548	GEBUAIDLLUDZLN-UHFFFAOYSA-N	414.433	3.560	10	20	HHCD	
CN(C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1)C(=O)OC(C)(C)C	759590883	MNZUHQCSCAFKRP-AWEZNQCLSA-N	414.597	3.524	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	759669080	GOUXUSGHOJYXPQ-UPVQGACJSA-N	413.537	3.807	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)cc1	760091608	DJTKTIIHFQXDPS-GOSISDBHSA-N	419.529	3.594	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C1	761627644	RSUOHKOIYGGCIB-IYBDPMFKSA-N	411.502	3.580	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1	765302636	CVYUYLHDTZMOBB-ROUUACIJSA-N	401.576	3.997	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)CN2CCCCc3cc(OC)ccc32)c1	766269369	JDLSBRKGLHPFGH-UHFFFAOYSA-N	409.530	3.959	10	20	HHCD	
OC[C@H](NCc1cc(Br)ccc1O)c1ccc(Br)cc1	767425757	MTKOUWYUXHJCPP-AWEZNQCLSA-N	401.098	3.740	10	20	HHCD	
CN(C)c1ccc(CNS(=O)(=O)c2cc(Br)sc2Cl)cc1	771162671	FGKUWWFHOGXABS-UHFFFAOYSA-N	409.758	3.709	10	20	HHCD	
CSc1cccc(C)c1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	771288216	DDSVAIVRCYALKX-KRWDZBQOSA-N	412.559	3.740	10	20	HHCD	
NC(=O)c1cc(OC2CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)CC2)ccn1	771620973	VGNFTEGFRGTCHK-UHFFFAOYSA-N	421.497	3.555	10	20	HHCD	
CCN(C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1	772017679	WUPXIBNDWLQOLA-GOSISDBHSA-N	414.531	3.817	10	20	HHCD	
COC1(CO)CCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1	773943151	CWRHDYNGCHHWKV-UHFFFAOYSA-N	408.901	3.543	10	20	HHCD	
Cc1cc(C(=O)NCC2=CCN(C)CC2)c(C)n1-c1ccccc1Br	775961981	BDOSRDZDLYWWFK-UHFFFAOYSA-N	402.336	3.848	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)CC2)cc1	777015487	XOLMADNTFZWCHZ-RTWAWAEBSA-N	408.464	3.788	10	20	HHCD	
CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	778623571	CXJUCMJSCPJVLW-KKSFZXQISA-N	417.937	3.752	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)c1cccc(O)c1	779048802	CTPKMQPMNYBGQW-QGZVFWFLSA-N	404.466	3.618	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1F	780830713	YFRIWAJQXJNIRI-KRWDZBQOSA-N	414.529	3.757	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CCOCC1)c1cc(Br)ccc1O	783647634	PYLPDIHEQCYNKU-OAHLLOKOSA-N	405.336	3.838	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)C2CCCCC2)cc1	784062151	YQSSWIUCBBANEZ-UHFFFAOYSA-N	406.408	3.987	10	20	HHCD	
O=C([C@@H]1CC(c2c(F)cccc2F)=NO1)N(Cc1ccco1)Cc1ccccc1O	786332188	SQNDVLZBACOGON-FQEVSTJZSA-N	412.392	3.985	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ncc(C(C)(C)C)s2)cc1F	789482708	NAEOTMKMFIJFRD-UHFFFAOYSA-N	406.527	3.681	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)cc1	790986460	RIANPRLAIYHMLY-OAHLLOKOSA-N	416.543	3.625	10	20	HHCD	
CN(C)C(=O)COc1cccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)c1	792922396	YDZSKVUKVKPPOR-UHFFFAOYSA-N	409.452	3.528	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1	794853580	WVNZWUSVENYSFK-FQEVSTJZSA-N	419.566	3.517	10	20	HHCD	
COc1ccc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)c1OC	796700328	DQUCKSZPIVJYSO-PKOBYXMFSA-N	411.546	3.565	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCC34CCOCC4)cc2F)C[C@@H](C)O1	799887469	ZIOCJKXBTJMADO-FVJLSDCUSA-N	419.541	3.588	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)cc2Cl)C1	800720674	VNDIPUZXNIQOTN-HUUCEWRRSA-N	408.974	3.679	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl	805135340	KFONZYIRKHMANL-UHFFFAOYSA-N	423.705	3.789	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C[C@H](C)S1(=O)=O	805395268	LDPHIRQFIBWUPM-KBXCAEBGSA-N	408.951	3.785	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccncc2OCc2ccccc2)cc1F	805762651	DAPYLGJDORVSHI-UHFFFAOYSA-N	408.477	3.865	10	20	HHCD	
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O	807839328	CACODRSGTQBLOH-QGZVFWFLSA-N	409.313	3.843	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(C(F)F)CCCC1	808274535	RSJQQJBKENKVMC-UHFFFAOYSA-N	406.395	3.984	10	20	HHCD	
COc1cccc(C2(CNC(=O)NCc3cccc(Br)c3O)CC2)c1	811919815	BLNHZVVCLBXRNV-UHFFFAOYSA-N	405.292	3.694	10	20	HHCD	
C[C@H](NC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1)c1ccc(N(C)C)cc1	812199892	IVDSZTKKVOFTKT-KFKAGJAMSA-N	413.522	3.985	10	20	HHCD	
O=S(=O)(CCc1ccccc1Br)NCCCSc1nccs1	812498205	QQBFDAAKDMWOFB-UHFFFAOYSA-N	421.407	3.550	10	20	HHCD	
COc1ccc([C@@H](O)C2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)cc1	813051815	UFPJNHOGVKMTQM-XMMPIXPASA-N	423.557	3.733	10	20	HHCD	
C[C@H]1CN(c2ccnc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)C[C@@H](C)O1	813685018	REAXZKMPSAHCNA-TXEJJXNPSA-N	410.301	3.638	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc4ccccc4c3O)CC2)cc1	816530814	VXQPLIXSAQPZOU-UHFFFAOYSA-N	405.542	3.856	10	20	HHCD	
O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2O)N1C[C@H]1CCCO1	877844969	AZYHHCXEKBTRDU-FZKQIMNGSA-N	403.276	3.900	10	20	HHCD	
Cc1cc(N(C)C)ccc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	915748896	OMVXUCTUXRKPHI-UHFFFAOYSA-N	418.541	3.766	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2csc(NC(=O)C(C)C)n2)cc1	916041940	RPRIGRGCIDEBFR-UHFFFAOYSA-N	402.564	3.785	10	20	HHCD	
C[C@@H](Cc1ccccc1Cl)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	916643575	KYWDPRRTQKPWDE-KRWDZBQOSA-N	401.938	3.949	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CN(C)C1CCCCC1	918444043	NVORBKHWWHECSN-UHFFFAOYSA-N	409.530	3.754	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(C)cc3Cl)CC2)cc1	920251071	LBCKZXCWZSIEID-KTKRTIGZSA-N	413.905	3.501	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCc3nc4ccccc4n3C)c2C)cc1	1116061199	DPNDRVHQQXDKNX-UHFFFAOYSA-N	402.498	3.962	10	20	HHCD	
C[C@H]1CCCCN1C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1116442997	AYVIMJZMMYRRGS-UNMCSNQZSA-N	402.602	3.664	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-n3cccn3)c(F)c2)cc1	1318305151	WUHGZTJLXOJFQX-NRFANRHFSA-N	422.504	3.899	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)C[C@@H](O)COCCOC(C)C)c1	1319035691	MSZGLTNFYVHZEV-LJQANCHMSA-N	422.953	3.622	10	20	HHCD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1	1323255060	DLRFKPCVJLCKLE-UHFFFAOYSA-N	423.561	3.871	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)/C=C/c1ccc2ccccc2n1	7732934	VWNUWXASMOQGAD-NTCAYCPXSA-N	403.482	3.516	10	20	HHCD	
CC(C)Cn1nc(C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2c1=O	106159376	RVPDQOYTJUNTBB-UHFFFAOYSA-N	404.514	3.583	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc3c(c2)nnn3C)cc1	303496457	MOKDLQPJHYCPFY-UHFFFAOYSA-N	415.497	3.890	10	20	HHCD	
COc1ccc2c(C)c(CCC(=O)N(C)Cc3ccc(N(C)C)cc3)c(=O)oc2c1	27154581	VFTSLQYOCXOKSY-UHFFFAOYSA-N	408.498	3.767	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1F	148964018	DCLMUMCJTCCHNG-QGZVFWFLSA-N	404.555	3.665	10	20	HHCD	
C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O	248054864	YELUFIXSVXDPGP-QGZVFWFLSA-N	420.465	3.718	10	20	HHCD	
Cc1ccncc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803676455	JGEYNNPOXOYKDW-GOSISDBHSA-N	408.546	3.653	10	20	HHCD	
Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccc(F)cc1F	808893910	BJCYLLPTPSVWEA-NSHDSACASA-N	402.401	3.623	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(CNC(C)=O)CC1	801839031	YECRNVPHSAKOHR-UHFFFAOYSA-N	420.561	3.725	10	20	HHCD	
CC(=O)NCC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	806615268	JSGAREUUJHPZON-NRFANRHFSA-N	414.594	3.903	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H](C)CCC3CCCCC3)CC2)cc1	804318407	KDLDOLBPSXDCOH-GOSISDBHSA-N	415.578	3.645	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nccn1-c1ccccc1	804988365	BFADKPOHFDFCIN-MOPGFXCFSA-N	419.529	3.830	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(CCCc4cccs4)n3C)CC2)cc1	809871350	WBBNJIZKRIDMPS-UHFFFAOYSA-N	411.575	3.777	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCNc1nccc(C(F)(F)F)n1	802186179	WICAALLVUDVOFF-UHFFFAOYSA-N	411.428	3.625	10	20	HHCD	
COc1cccc(CN(C)C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1	803676370	FZULXQFDDFLQTL-UHFFFAOYSA-N	423.557	3.739	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1)c1ccc(N(C)C)cc1	802298175	MCZOXHIKOOIIDY-QGZVFWFLSA-N	404.518	3.769	10	20	HHCD	
COCCCN(CCOC)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800719198	HTBKLZLAXCMJNS-QGZVFWFLSA-N	411.974	3.771	10	20	HHCD	
COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1	804365901	QLPVSIFUUIPKOT-FQEVSTJZSA-N	408.420	3.970	10	20	HHCD	
CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	804135386	HYHTZJUZNGGTDM-FQEVSTJZSA-N	406.482	3.652	10	20	HHCD	
C[C@@H]1CCCN(c2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccn2)C1	812484162	WGDWBLOUKSQODC-RTBURBONSA-N	408.546	3.646	10	20	HHCD	
CCCc1nc(C)c(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1	813591422	WSXOOYSLTMLOBC-HUUCEWRRSA-N	418.513	3.688	10	20	HHCD	
Cc1cc(C(C)(C)C(=O)OCC(=O)c2ccc(O)c(O)c2)ccc1Br	811439894	FQZNGBMYBKYDSB-UHFFFAOYSA-N	407.260	3.872	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(CCC3CCCCC3)CC(N)=O)ccc21	486556220	BEBWAYDQIYIXKV-UHFFFAOYSA-N	413.562	3.802	10	20	HHCD	
COc1cccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1	727248160	GYPWWEBXUUDGPI-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
O=C(OCc1nccn1CC(F)(F)F)c1cccc2c1C(=O)c1ccccc1C2=O	727769436	CZUCERKUWRCTBJ-UHFFFAOYSA-N	414.339	3.578	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)c(C)n1-c1ccccn1	812764464	WXXKQOMHHZETFR-QGZVFWFLSA-N	417.513	3.900	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3nc(SC)sc3c2)c1	729064522	SSOIUQUCACBHDK-JTQLQIEISA-N	417.512	3.548	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCN(C2CCCC2)CC1	726722115	MRHDIAWHOFDOMS-UHFFFAOYSA-N	422.520	3.527	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	734702058	SERKXTBMPVVKSB-UHFFFAOYSA-N	423.513	3.748	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCSc1nccs1	733972875	NNNJOUXHKLTHAD-YJBOKZPZSA-N	417.600	3.741	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)c(C)n1-c1cccc(Br)c1	736586324	FZBYVJKEPIXKIK-SUXZAAGHSA-N	423.376	3.838	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(O)nc3ccc(F)cc23)cc1	737822275	XVJFVRAGNSWKKP-IBGZPJMESA-N	423.488	3.967	10	20	HHCD	
Cc1cc(CC(=O)O[C@@H](C)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	734180060	IGPWSNZTPSRMCM-OXJNMPFZSA-N	418.921	3.517	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1C(N)=O	914789656	QXKDWSAKPUKVBC-UHFFFAOYSA-N	407.904	3.672	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1F	731363835	MPXVAKWCWUCJGV-UHFFFAOYSA-N	419.497	3.697	10	20	HHCD	
CCOc1ccc(C(=O)CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	917364846	PAXRZJNWWXPJBW-OAQYLSRUSA-N	411.498	3.962	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)c(F)c(F)c3F)cc2F)C[C@@H](C)O1	917710400	IKAFNCDXIXMMNV-PHIMTYICSA-N	414.374	3.926	10	20	HHCD	
Cc1cc(CCNC(=O)c2cnc(-c3ncccn3)s2)c(C)n1-c1ccccc1	749564630	INMHTZZHUUUHLD-UHFFFAOYSA-N	403.511	3.980	10	20	HHCD	
COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1	914070034	QMTHPBMTJZPTLM-GXDHUFHOSA-N	419.553	3.772	10	20	HHCD	
Cc1cc(C(=O)N2CCC(N3CCCNC3=O)CC2)c(C)n1-c1cccc(Cl)c1	748953709	BQBMBKDHFNDUDH-UHFFFAOYSA-N	414.937	3.767	10	20	HHCD	
CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc3c(c2)CCCN3C)CC1	749559415	SAKAIZUXJHGVAZ-UHFFFAOYSA-N	406.574	3.875	10	20	HHCD	
COCCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)c1ccccc1	746214841	AXZAFBKLYVHULC-GOSISDBHSA-N	415.509	3.582	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CNC(=O)c2cccs2)c1C	918870810	VSBCVWRDILOJEA-UHFFFAOYSA-N	410.495	3.620	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(N4CCO[C@@H](C)C4)cc3)CC2)cc1	743178176	QDFDGGCRTMMICE-IBGZPJMESA-N	424.545	3.665	10	20	HHCD	
CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	918436798	DRUAHNMRQIAGQH-UHFFFAOYSA-N	411.571	3.792	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3c[nH]cc3-c3ccccc3)CC2)cc1	916132938	OFZANCRLVVBJGZ-UHFFFAOYSA-N	418.541	3.632	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	742183320	FLDDXXABGPIYEL-WOJBJXKFSA-N	406.523	3.661	10	20	HHCD	
CC(C)OC1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745903618	IBMWWKPQDZWUNX-INIZCTEOSA-N	411.493	3.856	10	20	HHCD	
Cc1csc([C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C2CC2)n1	743554298	AHXXUJXRYWQUMY-GOSISDBHSA-N	402.589	3.955	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2O)c1	748345259	BNTMGAKTZWOFHO-UHFFFAOYSA-N	410.495	3.740	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(OCc2ccccc2)cc1	921020301	HODKZFUAVNGYTD-UHFFFAOYSA-N	424.522	3.903	10	20	HHCD	
COC(C)(C)c1noc(CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1	754268170	DPAKUYFGFPXDKJ-BENRWUELSA-N	409.558	3.847	10	20	HHCD	
Cc1noc2ncc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc12	751136071	CTXRJVCDYKDHNM-UHFFFAOYSA-N	401.488	3.760	10	20	HHCD	
CCc1noc(CC)c1CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755224566	URQJTJQJAGUFHK-AWEZNQCLSA-N	422.476	3.869	10	20	HHCD	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)n2)c(C)c1	751590372	VBRHLQWGDPFPCF-OAHLLOKOSA-N	418.544	3.694	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccnc2Br)cc1	757636752	AEHOMEDXKCIINI-QGZVFWFLSA-N	418.335	3.732	10	20	HHCD	
COCC1(O)CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1	759315667	OVMLPGSMFGBUNI-UHFFFAOYSA-N	424.463	3.769	10	20	HHCD	
Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	752007908	QXMDAYZVMMTUQH-DLBZAZTESA-N	412.490	3.861	10	20	HHCD	
COc1cc(C[C@@H](CO)CN[C@H](C)c2ccc(Br)cc2O)cc(OC)c1	756636428	JIZQTNVHYDRJKX-UKRRQHHQSA-N	424.335	3.674	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccn1	750138345	OHSHXMYWUAXTNG-LJQANCHMSA-N	408.889	3.678	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cc(F)cc(F)c2O)s1	756482812	ISTJOQQDDHJCQN-NSHDSACASA-N	404.504	3.613	10	20	HHCD	
COCCCOc1cccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	751010271	JNPJRYUWCMXLHE-UHFFFAOYSA-N	413.518	3.901	10	20	HHCD	
Cc1ccc(-c2nc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cs2)n1C	759132446	UBWUWPHAGFXRRH-UHFFFAOYSA-N	424.570	3.596	10	20	HHCD	
C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(C(F)F)CC1	767082535	MYZNPAJBGSYQAO-CYBMUJFWSA-N	412.436	3.766	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc2ccc(Br)cn12	768208450	QFCGBULXIKORAT-UHFFFAOYSA-N	415.335	3.565	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1C	766946687	QUDAOIKBJNWJED-ZJSXRUAMSA-N	420.557	3.907	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cncc(Br)c2)SC1=S	767359438	OERZXFKKDDRFQL-MLPAPPSSSA-N	414.394	3.633	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(S(=O)(=O)NC3CC3)cc2)c(C(F)(F)F)c1	863995136	NEOKMEAQJNEPRC-UHFFFAOYSA-N	413.465	3.824	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc([C@H]4CC(=O)N(CC5CC5)C4)no3)ccc21	762289965	PLRJWJMVXIZWPH-SFHVURJKSA-N	408.502	3.680	10	20	HHCD	
COc1cc(F)c([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC	761304371	PPJQACYUBVSYCB-LLVKDONJSA-N	422.840	3.727	10	20	HHCD	
CCC(CC)(CC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	760384234	MWXQAESFPZQTGJ-UHFFFAOYSA-N	413.541	3.775	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(Br)cn1C	761751853	CLZYOKGBUTWODC-UHFFFAOYSA-N	416.113	3.918	10	20	HHCD	
COCc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	774699813	JMEZLLYUVCPONX-UHFFFAOYSA-N	405.457	3.666	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](CCc1ccccc1)C(F)(F)F	778623481	ABWVDDMYBDZZPK-FQEVSTJZSA-N	421.463	3.886	10	20	HHCD	
Cc1cc(C)c2[nH]cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c(=O)c2c1	776149047	GAZZJQYLKJIDMB-GOSISDBHSA-N	406.482	3.672	10	20	HHCD	
C[C@@H]1[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C	778202001	BHJCFCHBJDSPHR-VQIMIIECSA-N	407.530	3.540	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C[C@H](C)C(=O)c3ccc(Cl)cc3)CC2)cc1	776966984	ZOMZAIQYEZSOIO-INIZCTEOSA-N	400.906	3.906	10	20	HHCD	
Cc1cc(-c2nnc(Cn3nnc(-c4ccccc4)n3)o2)c(C)n1-c1ccc(F)cc1	1117208945	QNFUZRPQHGQBKD-UHFFFAOYSA-N	415.432	3.985	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CSc2nncs2)c1C	775968896	JFGMIFJJVQZRNT-UHFFFAOYSA-N	401.513	3.772	10	20	HHCD	
COc1ccc(-c2nnc(NC(=O)NCc3ccc(N(C)C)c(F)c3)s2)cc1	775834471	SUJFEHNFNKVWRI-UHFFFAOYSA-N	401.467	3.741	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/SC(=S)N([C@@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)CC1	771513426	KUNQLFFPINFVHF-OMRQLCOGSA-N	413.612	3.828	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1	778078384	HIPAALQUAIDWIE-UHFFFAOYSA-N	419.440	3.556	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2cccc(COCC(F)(F)F)c2)c1O	775035395	ZIFTYIYLEXZJAQ-UHFFFAOYSA-N	400.353	3.678	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1	784026060	AGKITBKDHRWFBU-UHFFFAOYSA-N	421.453	3.615	10	20	HHCD	
C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1c1cccc(F)c1	788911582	PKULQYLNXXWODQ-VGSWGCGISA-N	409.505	3.652	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c(O)c1O	780956786	ZOWWLZRNVLMUKC-UHFFFAOYSA-N	416.275	3.860	10	20	HHCD	
CC(C)(NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCOCC1	787266749	JDQHMKJBDVPVHS-INIZCTEOSA-N	411.493	3.761	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(O)c1	794389008	GGEPCSRWQFLAPD-UHFFFAOYSA-N	406.442	3.916	10	20	HHCD	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccc(N2CCOCC2)cc1	1319765450	QPPGVCDBAPRWGY-UHFFFAOYSA-N	402.560	3.608	10	20	HHCD	
COC(=O)c1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)n(-c2ccccc2)n1	1326806439	SJUQZTKHEOVFRL-UHFFFAOYSA-N	418.497	3.579	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(C(N)=O)nc2)c(C)n1-c1ccc(C(C)C)cc1	1320479378	BWAWSEBYFCDYRZ-UHFFFAOYSA-N	419.481	3.751	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccn(-c4ccccc4Cl)n3)CC2)cc1	1253863594	LAHPQUTZZRBVPT-UHFFFAOYSA-N	410.905	3.887	10	20	HHCD	
COCCn1c(C2CCCCC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	1341216111	DNPZJVRDVLIYBI-UHFFFAOYSA-N	413.566	3.698	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nncn3C3CC3)c2C)cc1	11721962	XGMKIXSOMBDPMK-UHFFFAOYSA-N	410.499	3.782	10	20	HHCD	
Cc1sc2ncnc(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)c2c1C	18215303	XDNRUCBENHVGGL-UHFFFAOYSA-N	423.586	3.907	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=S)Nc3cc(C)cc(C)c3)CC2)cc1	7027545	MJMFAXFSIMRLPB-UHFFFAOYSA-N	412.603	3.811	10	20	HHCD	
CCc1cc2c(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2cc1O	65278414	UBAYMMPYVPYEHR-INIZCTEOSA-N	408.498	3.748	10	20	HHCD	
Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccc(N(C)C3CCCCC3)cc1)C2=O	72043679	ANZUKABCLCTYIW-UHFFFAOYSA-N	419.525	3.676	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CSC[C@H]3C(=O)NC(C)(C)C)c2C)cc1	303149070	FSJZTWYKBRUJKP-IBGZPJMESA-N	415.559	3.533	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC(F)(F)c3cccc(OC)n3)ccc21	580943644	LADJPBBADYYMRL-UHFFFAOYSA-N	417.456	3.830	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](NC(C)=O)Cc4ccccc43)ccc21	676678598	CHDGYIBGRLVKML-NRFANRHFSA-N	419.525	3.612	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3csc(C(C)C)n3)CC2)cc1	726618963	HFHDYHPGKXTPNT-UHFFFAOYSA-N	402.564	3.740	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726693786	MWTJTHBGZFKBEZ-UHFFFAOYSA-N	424.545	3.968	10	20	HHCD	
Cc1cc(C(=O)NCCCc2cnn(C)c2)c(C)n1-c1ccccc1Br	726785671	LKXZHJKORNEDIP-UHFFFAOYSA-N	415.335	3.953	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C	728301939	PUNZFDPMAWDQME-MRXNPFEDSA-N	408.502	3.955	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)[C@@H]2CCOC2)sc(C)c1-c1ccccc1	730265423	UMMCMQYYFUOEIV-MRXNPFEDSA-N	402.516	3.559	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(C)c1	731131992	QUPJARJOHQPMAU-UHFFFAOYSA-N	409.530	3.885	10	20	HHCD	
Cc1ccccc1-n1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	732634413	BCXYKCVLJZJSDO-QZTJIDSGSA-N	422.504	3.863	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1c1cccc(F)c1F	741698254	WNMOONSBCBWRST-VQTJNVASSA-N	400.469	3.593	10	20	HHCD	
Cc1ccc([C@H](O)CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	745904938	VPFMRNKSGIRKQN-YLJYHZDGSA-N	419.472	3.598	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3nc(NCc4ccco4)ncc3Cl)ccc21	746814792	WNTPYNRCEYWZMB-UHFFFAOYSA-N	411.893	3.648	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1c1cccc(Br)c1	747414516	BKNSGHWGEDAHRM-VQTJNVASSA-N	415.331	3.706	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCO[C@@H]4C[C@H](N(C)C)CC[C@H]43)c2C)cc1	749547609	ZAQYSMCYVPAJDC-GZGNHOFSSA-N	409.574	3.769	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](O)c1c(F)cccc1F	752868770	WVHOJHGRJXEFFA-CTNGQTDRSA-N	403.473	3.876	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	753944286	ZSGQWMRFXVQOJF-UHFFFAOYSA-N	410.952	3.993	10	20	HHCD	
O=S1(=O)CCN(Cc2c(O)ccc3cc(Br)ccc23)[C@H]2CCCC[C@@H]21	754010902	JIZYPFPSWVGUBO-HKUYNNGSSA-N	424.360	3.850	10	20	HHCD	
C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(N2CCOCC2)cc1	754169796	OAJUWOGKVXZZAM-HUUCEWRRSA-N	401.438	3.551	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3cc4c(cc3O)CCCC4)C2=O)c1	756736042	KXKWLAAGYVUDNW-NYHFZMIOSA-N	410.514	3.744	10	20	HHCD	
C[C@H](NC1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(Br)cc(Cl)c1O	756763892	AYYYNOHXVFRUFP-YMRXKLBXSA-N	417.775	3.837	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1	763020866	KUKNDDSOXFLXGV-VLIAUNLRSA-N	421.900	3.686	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F	764627502	GDJWMCOAZILMIF-UHFFFAOYSA-N	406.408	3.642	10	20	HHCD	
C[C@@H](NC1CCN(Cc2ccccn2)CC1)c1ccc(N2CCOCC2)cc1Cl	765062862	SSUZABRCTPJGAB-GOSISDBHSA-N	414.981	3.887	10	20	HHCD	
Cc1nc(Br)ccc1NC(=O)NCc1cccc(Br)c1O	765331099	ZRQDMSVQLXGNPU-UHFFFAOYSA-N	415.085	3.942	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cnc(Oc2ccccc2)cn1	765727474	AOLRVYXITTZQPB-UHFFFAOYSA-N	400.232	3.667	10	20	HHCD	
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NCc1cccc(Br)c1O	765765221	QAWFOFSVBCAJKN-INIZCTEOSA-N	417.225	3.664	10	20	HHCD	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1	766742873	FFWAWMORWZDLMK-UHFFFAOYSA-N	420.560	3.786	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCOC2(CCCC2)C1	766937937	FAEWYHUVOGTJOD-UHFFFAOYSA-N	409.477	3.611	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O	768828410	YQDQRFWNGYXRDD-LEWJYISDSA-N	407.341	3.920	10	20	HHCD	
C[C@@H](NC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1)c1ccc(N(C)C)cc1	776250819	WTLRDFPECMZGMY-GOSISDBHSA-N	410.518	3.730	10	20	HHCD	
CCC[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1	779854294	STHJYIHHASGNCP-MAUKXSAKSA-N	414.468	3.754	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)cc1	780310755	QOOYIONPJIDDSZ-UHFFFAOYSA-N	400.489	3.606	10	20	HHCD	
C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	781947280	NITXVBNBWLPWOZ-VGOFRKELSA-N	415.965	3.826	10	20	HHCD	
Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnc1Br	783100272	FJFFIMVLDIDUAK-CQSZACIVSA-N	419.323	3.872	10	20	HHCD	
O=C(COC(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccc(O)c(O)c1	784248005	VVKMENYKLIUEJG-UHFFFAOYSA-N	419.149	3.919	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)cc1	785439164	MHBRHCXOUHCCKT-QHCPKHFHSA-N	415.537	3.512	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1-c1ccccc1	785857964	ROKHCIPLDJSSTH-UHFFFAOYSA-N	407.474	3.719	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)C2CC2)cc1	785923217	KVZDLPZCNRAZRS-QFIPXVFZSA-N	412.578	3.750	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3CCC[C@H](C)CC3)CC2)cc(OC)c1OC	785957243	KAUUEHFOIXGCGF-DLBZAZTESA-N	405.539	3.513	10	20	HHCD	
CC[C@H](NCc1ccc(S(C)(=O)=O)s1)c1cc(Br)ccc1O	786960840	XEJWPLJRXLUMJP-ZDUSSCGKSA-N	404.351	3.861	10	20	HHCD	
CC(C)c1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)n(-c2ncccn2)n1	789262152	WTSFPUPAWLDZQO-UHFFFAOYSA-N	405.506	3.708	10	20	HHCD	
O=C1CSc2ccc(NCc3ccc(N4CCOCC4)cc3)cc2N1CC(F)F	790618496	HZHSXUVCLJROKZ-UHFFFAOYSA-N	419.497	3.839	10	20	HHCD	
CC[C@@H](C)n1ncc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C	792477463	AKIMMTAQPHOWEB-CQSZACIVSA-N	403.502	3.584	10	20	HHCD	
Cc1csc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1Br	792590645	PXUQLMDGNCMVOW-UHFFFAOYSA-N	413.312	3.725	10	20	HHCD	
COc1ccc(CN2CC[C@@H](NCc3ccc(N(C)C)cc3C(F)(F)F)C2=O)cc1	792989881	NDITZGUIEQCCOX-HXUWFJFHSA-N	421.463	3.671	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	793470222	ULYDHVZSNJUMKW-QGZVFWFLSA-N	421.463	3.933	10	20	HHCD	
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(Cc3c(O)ccc4ccccc34)C2)CC1	795748799	YYXBZUXVAQBJDA-IBGZPJMESA-N	411.546	3.672	10	20	HHCD	
O=S(=O)(NC1=NCCC1)c1cccc(NCc2ccc(N3CCCCC3)cc2)c1	796388342	PAPMTUWRJQGSAT-UHFFFAOYSA-N	412.559	3.760	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c1	799021602	IDANWAFYXOGIDE-UHFFFAOYSA-N	421.463	3.933	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CCCCN3CCOCC3)cc2Cl)C1	800571150	GBWBQJAOZVDOLQ-SFHVURJKSA-N	407.986	3.695	10	20	HHCD	
C[C@@H](NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1ccccc1O	800991775	BYYMUKJTIGHUIL-RHSMWYFYSA-N	417.472	3.526	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H](C)CCC3CCCCC3)CC2)cc1	804318408	KDLDOLBPSXDCOH-SFHVURJKSA-N	415.578	3.645	10	20	HHCD	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)NCCCSc2nccs2)C2CC2)o1	806279693	WXYJFUBERXJLSS-BBRMVZONSA-N	419.572	3.649	10	20	HHCD	
CCOc1ccc(NCc2cc(OC)ccc2O)cc1S(=O)(=O)N1CCCCC1	809682661	XSVBAQUUIUGBEN-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
COCc1ccccc1/C=C(/C)CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	814290296	FNYGIYGIMSWVAR-PZNLSKEWSA-N	407.558	3.728	10	20	HHCD	
CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-n3c(C)ccc3C)cc2)o1	912706120	ROUXZCNMEWBKGH-INIZCTEOSA-N	408.454	3.751	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@H]2Oc3ccccc3NC2=O)cc1	914456483	ZUBCBMHUNCBHNU-JOCHJYFZSA-N	419.481	3.664	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(C(=O)N(C)C(C)C)CC3)c2C)cc1	915749034	ONQZYAOLTSQPHE-UHFFFAOYSA-N	411.546	3.822	10	20	HHCD	
COc1cc(C)cc(CN(C)CC(=O)Nc2ccc(Br)cc2C)c1O	915827226	BPXJFQMNHVOMTA-UHFFFAOYSA-N	407.308	3.851	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)n1-c1ccccn1	916096624	PVGWCRLODZKMMN-DHZHZOJOSA-N	400.526	3.960	10	20	HHCD	
COc1ccc([C@H](O)CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1	916221043	LTVRXYVREYZPHC-HSZRJFAPSA-N	407.514	3.678	10	20	HHCD	
Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2ccc(O)c(O)c2)c1	916600512	KEMBVOYFRPOGPF-UHFFFAOYSA-N	405.406	3.698	10	20	HHCD	
O=C(NCCc1ccc(N2CCCCC2)cc1)NCc1ccc(N2CCOCC2)cc1	919791179	WRHPHYFQMJRTMU-UHFFFAOYSA-N	422.573	3.555	10	20	HHCD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1	919969724	XLBUDDULOOGZEM-HNAYVOBHSA-N	400.494	3.752	10	20	HHCD	
O=[N+]([O-])c1cc(CNCCN2CCc3sccc3C2)ccc1N1CCCCC1	920180070	NZCCOWHWYWGYHU-UHFFFAOYSA-N	400.548	3.795	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(C(=O)Cc4ccccc4F)CC3)c2c1	921187450	HCSYXTLBJWFTCC-UHFFFAOYSA-N	408.473	3.580	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cnoc2C2CC2)NC(=O)OC(C)(C)C)cc1	1324205179	LMRHURVWPMIEAH-SFHVURJKSA-N	414.506	3.614	10	20	HHCD	
Cc1[nH]ccc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1843548034	PHVMJAGEJSSHCN-UHFFFAOYSA-N	416.525	3.861	10	20	HHCD	
COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)cc(O)c1O	21360581	ARDTUJXEJQLXDU-QFIPXVFZSA-N	420.421	3.649	10	20	HHCD	
COc1cc(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc(OC)c1OC	302161765	PRXZQPIHUZQCAH-UHFFFAOYSA-N	407.854	3.601	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)c2cccs2)cc1	218365610	MGSXKINJIFIUCZ-UHFFFAOYSA-N	423.538	3.786	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CCOC)cc1	802401850	CAUFKQNZNXAIGU-UHFFFAOYSA-N	408.550	3.778	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCCC[C@H]3c3cc[nH]n3)cc2F)C[C@@H](C)O1	806458406	YBMRRJALBKPOCL-MRUHUIDDSA-N	415.513	3.599	10	20	HHCD	
CC[C@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1cccc(Cl)c1O	806137648	QHXOZKRSPDRLCA-FQEVSTJZSA-N	401.938	3.955	10	20	HHCD	
C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Oc2cccnc2)cc1	808764357	YWSIWLNOAFJLNJ-GOSISDBHSA-N	404.514	3.907	10	20	HHCD	
Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807511446	NDDVTPFBIVKSGQ-UHFFFAOYSA-N	422.312	3.863	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC	802609554	FZKIYMJROAMTJK-UHFFFAOYSA-N	418.877	3.600	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1	803089681	FZGLYMFDZWCPSL-LBPRGKRZSA-N	405.376	3.663	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	814981699	NQZYNZTVWXLWFX-UHFFFAOYSA-N	415.874	3.664	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(N2CCCNC2=O)cc1	812944501	MTZOACAQELMFIZ-QGZVFWFLSA-N	409.534	3.575	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc(Br)c3O)CC[C@@H]21	814174510	BNSVLPMNZDLUAE-CJNGLKHVSA-N	411.340	3.986	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1c2ccccc2CC12CCOCC2	811884999	SUMTVWRHKLZEGM-HSZRJFAPSA-N	403.526	3.956	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC(=O)Nc2cccc3cccnc23)cc1	725865667	XYZUHWLVFWNTIR-UHFFFAOYSA-N	405.502	3.519	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccc(OCC(F)(F)C(F)F)nc3)ccc21	729179567	OLMXFHVVGQCTPX-UHFFFAOYSA-N	411.399	3.673	10	20	HHCD	
COc1ccc(-n2ccnc2SCC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1	728977883	GSBPHYKFNQFRLC-AWEZNQCLSA-N	413.499	3.565	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(F)c1	726793118	RHMKXOSAVFZPSH-UHFFFAOYSA-N	410.486	3.784	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1	732469160	AONDSTPHPWGJDO-SFHVURJKSA-N	405.901	3.991	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1	737116738	JPKKJOBDNMYPKS-UHFFFAOYSA-N	408.502	3.788	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(-n4cccn4)c3)cc2F)C[C@@H](C)O1	735000815	HRJUELWTSDZQHA-IAGOWNOFSA-N	408.477	3.555	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cccc(C(=O)NC4CC4)c3)cc2)CC1	731117531	OWKWXQNGOQWAHY-UHFFFAOYSA-N	420.557	3.815	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(C)nc4ccccc34)cc2F)CC1	730194686	VVXKFOFMOABGBM-UHFFFAOYSA-N	406.505	3.754	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1	918194449	PBSMNHQHBYGTEX-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C(=O)c2cnn(C(C)(C)C)c2)c(C)n1-c1ccccc1	919431571	BJZIBNAUIOKJOI-UHFFFAOYSA-N	407.470	3.654	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1c(C)nn(C(F)F)c1C	743808829	GKPQMBPIUSJPHQ-UHFFFAOYSA-N	416.266	3.954	10	20	HHCD	
CCS(=O)(=O)NC1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1	917441475	LEBVDYSLKUKOER-UHFFFAOYSA-N	410.624	3.891	10	20	HHCD	
Cc1cccc(C(C)(C)CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	745187308	KGEVBULYMJMDEC-UHFFFAOYSA-N	413.537	3.872	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1	918113025	QVDSKGCJICPYQK-UHFFFAOYSA-N	410.514	3.973	10	20	HHCD	
CCc1ccc(CN(C)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1	916196606	NYLZYSMJCJHSIF-UHFFFAOYSA-N	424.589	3.611	10	20	HHCD	
O=C(Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1)C1CC1	916678220	PVJZHYSTGNIOTR-HXUWFJFHSA-N	409.486	3.954	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1	743045892	DJVXSTCWAWEFOB-UHFFFAOYSA-N	401.513	3.902	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCCN1Cc1ccccc1	746280219	MWYJRFLKKZPGNM-VWLOTQADSA-N	421.585	3.566	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)CC2)cc1	745349881	KDRAWGSNQLAMAQ-GBXCKJPGSA-N	422.573	3.610	10	20	HHCD	
COCc1nc(COC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)no1	759474454	GVOPQSHPUWMNJG-UHFFFAOYSA-N	420.263	3.743	10	20	HHCD	
O=C(CCCOc1ccccc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472032	FHSARBSYEYCKQT-IBGZPJMESA-N	402.922	3.985	10	20	HHCD	
CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751931048	LLSFWRHQVKHEQL-PBHICJAKSA-N	401.532	3.653	10	20	HHCD	
C[C@@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(Br)cc1O	756366123	FGGOKXRUCZZKPK-DNVCBOLYSA-N	405.336	3.879	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccnc(OCC(F)F)c2)cc1	758903268	SAXQTKMBUPQBCS-IBGZPJMESA-N	419.472	3.613	10	20	HHCD	
CCC(CC)c1cc(CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)on1	753919854	XPRTYZWBINBDRQ-UHFFFAOYSA-N	404.486	3.758	10	20	HHCD	
CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	757631842	AOOMMYSCNFOSDE-SJLPKXTDSA-N	409.571	3.602	10	20	HHCD	
CCc1noc(-c2ccc(C)c(NC(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)n1	751015715	CRBJCEYWZPIXRQ-UHFFFAOYSA-N	421.501	3.970	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1cc(Br)cc(F)c1O	756478238	GZPDCFUPMZGVMW-CYBMUJFWSA-N	409.299	3.993	10	20	HHCD	
C[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1O	756535613	PFUOPVYMKLBLBM-GFCCVEGCSA-N	423.344	3.647	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1	753978275	LQJFCOJBUCGBRN-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
CCCn1c(C)nnc1COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	763612720	QIKJMJXSHQTDOR-UHFFFAOYSA-N	423.856	3.782	10	20	HHCD	
COc1cc(OC)c(OC)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	766143790	DDVPWDAIJIUGJO-MRXNPFEDSA-N	416.474	3.631	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](C)[S@](=O)CC2)c(C)n1-c1ccccc1Br	760651609	HCLOPRNOGJGINR-HWRSSNJWSA-N	423.376	3.840	10	20	HHCD	
CC(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	769845991	GVCXWZOFLQQWGE-UHFFFAOYSA-N	400.544	3.740	10	20	HHCD	
COc1coc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc1=O	760841790	ZGRPGQZSDYXMOO-UHFFFAOYSA-N	400.475	3.626	10	20	HHCD	
Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)N(C)Cc2ccccc2O)cc1	768034301	KNYBEMVQYAIHGA-UHFFFAOYSA-N	406.486	3.607	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc([C@@H]2CCOC2)c1	761380599	DSLKOEZZLUCIPI-JOCHJYFZSA-N	405.542	3.975	10	20	HHCD	
Cc1ccccc1-c1csc(NS(=O)(=O)c2cnn(-c3ccccn3)c2C)n1	764528611	WCSZPJXSUHKVAM-UHFFFAOYSA-N	411.512	3.808	10	20	HHCD	
O=C1N[C@H](c2cccc3ccccc23)C(=O)N1Cc1ccc(N2CCOCC2)c(F)c1	761094459	WVXYICGNARLMGD-JOCHJYFZSA-N	419.456	3.609	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(C(C)C)c1	764428830	LMDREUYCXJUTDL-FQEVSTJZSA-N	402.560	3.867	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cn(CCOC)c4ccccc34)CC2)cc1	1116419663	PMMKMWMMVVDJSY-UHFFFAOYSA-N	407.514	3.649	10	20	HHCD	
CCn1cc([C@@H](C)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1	777300479	DQXNXFMSFREMGL-UZLBHIALSA-N	401.555	3.886	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)c1ccc(N(C)C)cc1	773845448	GMTKIEZNMLWOCF-LLVKDONJSA-N	424.726	3.984	10	20	HHCD	
C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	779981508	RUFMXUHLLAONBJ-DZGCQCFKSA-N	403.420	3.535	10	20	HHCD	
O=C(/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1O)Nc1ccc2n[nH]cc2c1	778890530	JPMIQTCGLLTKGI-MDZDMXLPSA-N	416.437	3.585	10	20	HHCD	
COc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC	773190510	GBZLPOOEAGETMO-LSDHHAIUSA-N	401.507	3.900	10	20	HHCD	
C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(OCc2ccccn2)c1	775002588	RFLLGJBTVNOVRJ-LJQANCHMSA-N	418.541	3.694	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3cc(F)ccc3Br)CC2)cc1	783707617	KNUQQASQTXLSJM-UHFFFAOYSA-N	421.310	3.878	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	788921644	VGTLPTMIYHRKNF-LFDQFFAPSA-N	409.574	3.576	10	20	HHCD	
CCCOc1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	787210785	YBJAICFKCVNEOH-UHFFFAOYSA-N	423.557	3.741	10	20	HHCD	
CCc1c(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cnn1C(CC)CC	789668820	GSDVTPMAWLMUCJ-UHFFFAOYSA-N	413.566	3.576	10	20	HHCD	
CC[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1	785384593	CZBPGVGTLKHNIF-NRFANRHFSA-N	407.558	3.945	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cccc3nsnc23)n1	799184315	DSQIJBAZGPZAOI-UHFFFAOYSA-N	422.488	3.763	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2ccc3ccccc3c2=O)cc1	790523200	OABZMIRFKYHVCC-UHFFFAOYSA-N	415.493	3.890	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@H](c3ccccc3)C3CCCC3)ccc21	793635207	SAHYILPFFGNFOJ-HSZRJFAPSA-N	405.542	3.733	10	20	HHCD	
O=C(OCc1nnn(CC(F)(F)F)n1)c1ccccc1N=Nc1ccc(O)cc1	799460259	SMVGRCQRMLEQQL-UHFFFAOYSA-N	406.324	3.713	10	20	HHCD	
Cc1csc(CCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	1318173297	JTFYMUYLJZAZKN-HOTGVXAUSA-N	420.554	3.636	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCC(O)(C(F)(F)F)CC3)ccc21	1319444036	VQJXVBHBAMEPQL-UHFFFAOYSA-N	412.452	3.870	10	20	HHCD	
CC(C)[C@@]1(CO)CCN(Cc2cc(Br)cc(Br)c2O)C1	1324209436	VRHOXFRRXKICDL-HNNXBMFYSA-N	407.146	3.758	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1Br	13343586	DRRWXRZEFRXGBB-WQLSENKSSA-N	416.318	3.524	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC	27962906	WZYBLGXWUGUJSK-UHFFFAOYSA-N	422.522	3.654	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC3CCN(CC4CCCC4)CC3)CC2)cc1	110466417	QZTAEERQKVTLOF-UHFFFAOYSA-N	414.594	3.618	10	20	HHCD	
CCOc1ccccc1[C@H](CC(=O)NCc1c(C)c2ccccc2n1C)NC(C)=O	471221196	RXRNGJOVNACMIK-FQEVSTJZSA-N	407.514	3.769	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)n(C)c2ccccc12	472222898	MWAYFWNFISFFOW-UHFFFAOYSA-N	409.505	3.905	10	20	HHCD	
Cc1c(CNC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)n(C)c2ccccc12	472232854	ZMWFXWRXWOTRSI-FQEVSTJZSA-N	405.546	3.545	10	20	HHCD	
CC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)sc2C1	472790957	RTAZPEOBBFUAQG-CQSZACIVSA-N	410.543	3.713	10	20	HHCD	
COC(=O)c1nn(CN(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c(C)c1Cl	728904161	IEEGZUOCAAJPJH-UHFFFAOYSA-N	418.847	3.720	10	20	HHCD	
CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1	730450990	CYBYMSDLQZDDRW-INIZCTEOSA-N	420.600	3.733	10	20	HHCD	
Cc1ccc(C2=NN(C(=O)COC(=O)c3cc(O)cs3)[C@H](c3ccco3)C2)cc1	731910197	OFMJAHBVVSKMDS-KRWDZBQOSA-N	410.451	3.890	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1	733856547	VSGOZNJEZYVPNO-UHFFFAOYSA-N	418.497	3.975	10	20	HHCD	
Cc1cc(CC(=O)O[C@@H](C)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	734180059	IGPWSNZTPSRMCM-JXFKEZNVSA-N	418.921	3.517	10	20	HHCD	
CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	734217504	YXEOAIHVQXVIIW-WOJBJXKFSA-N	414.594	3.902	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCC(=O)Nc1cccc(Cl)c1C	734664577	ISVUBCZKYUZDBK-UHFFFAOYSA-N	402.926	3.851	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cnc(Cl)c(C)c3)n2)cc1	735407842	RGBXHDQPQSKCDN-UHFFFAOYSA-N	422.919	3.926	10	20	HHCD	
C[C@H](NC(=O)c1csc(Nc2ccccn2)n1)c1ccc(N2CCOCC2)cc1	736072413	JLXFOLQCFDRXBB-HNNXBMFYSA-N	409.515	3.609	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1O	737286354	WIMHCDWZWASDJK-UHFFFAOYSA-N	403.649	3.616	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O	740033008	KATMOMAVULPNGU-FQEVSTJZSA-N	412.921	3.545	10	20	HHCD	
O=C(NCCNc1ncc(Cl)cc1Cl)NCc1ccc(N2CC=CC2)cc1	740919079	ADYCIMLIYCFAPF-UHFFFAOYSA-N	406.317	3.676	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	742472196	YEQYAPVWHUTSAR-UHFFFAOYSA-N	409.364	3.585	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCC(=O)Nc1ccccc1	745818960	USXXZIPHKHHLDL-UHFFFAOYSA-N	420.307	3.715	10	20	HHCD	
CCN(CCc1cccs1)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	746070419	MXIWJLKQKASFJR-UHFFFAOYSA-N	402.560	3.553	10	20	HHCD	
COc1cccc(C(C)(C)CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	749887118	UDBPFWZCPDXJFD-UHFFFAOYSA-N	411.546	3.651	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(Br)c1	751338699	ZOUZJGUNEMUCGG-UHFFFAOYSA-N	421.360	3.941	10	20	HHCD	
CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCC[C@@H](C)C1	751945990	UOEINNIFYQEUCW-FOIQADDNSA-N	415.559	3.756	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c(OC)c1	752115746	YXCGRIXHZZDZQD-UHFFFAOYSA-N	408.380	3.674	10	20	HHCD	
C[C@@H](OC(=O)CCc1ccoc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	753492269	KMNPDCWPLIGKND-CQSZACIVSA-N	417.417	3.558	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(NC(C)=O)ccc3Cl)CC2)cc1F	753880246	CXUNMDSZQUQKGL-UHFFFAOYSA-N	420.872	3.800	10	20	HHCD	
Cn1cc(-c2cncc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)cn1	754545837	LGGYRJWQNDZJNJ-UHFFFAOYSA-N	408.417	3.510	10	20	HHCD	
CCC(=O)N1CC[C@H](N[C@H](C)c2cc(Br)cc(Br)c2O)C1	756654286	KAMZXNZIUPSTLU-KOLCDFICSA-N	420.145	3.579	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3csc(-c4ccc(C)n4C)n3)CC2)cc1	758570113	CDRRIZVSBSHIHU-UHFFFAOYSA-N	410.543	3.818	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3CCCCC3(C)C)CC2)cc(OC)c1OC	759289229	XQCYGCOQJOHPMH-LJQANCHMSA-N	405.539	3.513	10	20	HHCD	
COc1cc(N2CCN(Cc3ncc(-c4ccc(C)cc4)o3)CC2)cc(OC)c1OC	759886612	NKXKARSXNFTLLU-UHFFFAOYSA-N	423.513	3.998	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN3C(=O)[C@H](c4ccccc4)N(C)C3=O)cc2F)C[C@@H](C)O1	761094896	ZOYJMNPYYCOUJX-ZOCZFRKYSA-N	411.477	3.575	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1	761618125	NDOHGSVQZJSRQJ-UHFFFAOYSA-N	421.501	3.837	10	20	HHCD	
C[C@@H]1CN(CCCNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCCO1	764310292	JLSFQRUZCNODDP-HXUWFJFHSA-N	416.610	3.756	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCN(Cc4ccccn4)CC3)cc2F)C[C@@H](C)O1	765117535	HMTSMDJZNOZJEA-KDURUIRLSA-N	412.553	3.589	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1CCCN(C2CCC2)C1	765534940	FSLCLBZKCJRAGL-UKRRQHHQSA-N	410.356	3.607	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCCCN1C1CC1	765665315	ARWCWTUSDUWHSI-QGZVFWFLSA-N	410.356	3.703	10	20	HHCD	
O=S(=O)(c1ccc(-n2cccc2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	766055323	SKKDPNOJHVQCGO-FQEVSTJZSA-N	412.511	3.553	10	20	HHCD	
CSc1ccc(S(=O)(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1	768017798	RZRLEHZFJOSCIS-UHFFFAOYSA-N	405.589	3.740	10	20	HHCD	
CCOc1c(OC)cc(CN2CCCN(c3ccc(OC)cc3)CC2)cc1OC	768997983	JKTYDURRRKAVGT-UHFFFAOYSA-N	400.519	3.823	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCOC2(CCC2)C1	769096405	UIFJXFXGTAOZRD-MRXNPFEDSA-N	409.477	3.658	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H](OC)c3ccc(F)cc3)CC2)cc1	770829984	KGCAARNGCVLDDK-AOMKIAJQSA-N	415.509	3.879	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3cn(Cc4ccccc4)nn3)ccc21	772093091	VXWGRSAZPWBXAJ-UHFFFAOYSA-N	418.497	3.901	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC([C@@H](O)c4nccn4C)CC3)c2C)c1	772569395	BYXOPVHCDZBIPX-JOCHJYFZSA-N	406.530	3.722	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCC2(c3cccc(Cl)c3)CCOCC2)c1O	774976784	SQXLDBCRUNKYSD-UHFFFAOYSA-N	406.866	3.800	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1O	775028195	NMZTWQXTMREDHF-CQSZACIVSA-N	422.441	3.807	10	20	HHCD	
O=C1[C@@H](NCc2cc(Cl)cc(F)c2O)CCN1c1cccc(Br)c1	775205275	RSGXJBHADULYHP-HNNXBMFYSA-N	413.674	3.842	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2C)cc1	776852455	IRVZOMIWOFXFAH-IBGZPJMESA-N	404.514	3.817	10	20	HHCD	
COCCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C	777217289	KCAJECHKURKAJP-GOTSBHOMSA-N	414.546	3.768	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cn(C)nc3-c3ccccc3)CC2)cc1	779628750	ZHADESADHNJUMB-UHFFFAOYSA-N	405.502	3.886	10	20	HHCD	
CSc1ccccc1S(=O)(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1	780382487	GGBNXMCYUOXQJX-UHFFFAOYSA-N	402.545	3.520	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@H]3CCCN(C4CCC4)C3)CC2)cc1	781401858	MWBDWULEYRCXCY-PMACEKPBSA-N	414.594	3.570	10	20	HHCD	
Cc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1Br	786722584	DLFSEWZZLICVMI-UHFFFAOYSA-N	418.335	3.594	10	20	HHCD	
CCOC(=O)c1cnc(/C(C)=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc1O	788357182	ZLANMJSWSMFWAM-KAMYIIQDSA-N	412.446	3.818	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H]3CCCN(c4ccccc4)C3)CC2)cc1	789317416	LJIUFKSPMPVAGQ-OAQYLSRUSA-N	422.573	3.834	10	20	HHCD	
CCC[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3cc(OC)ccc3O)sc2C1	789465920	UCYOIKIHSRWYRV-STQMWFEESA-N	417.531	3.578	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC[C@H](c2cccc(F)c2)C1	792836240	VOHKTTGWTQOYCP-ICSRJNTNSA-N	415.484	3.937	10	20	HHCD	
COc1ccc([C@H](C)[C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC	792920282	UNWMJPZIQFNBKX-SJORKVTESA-N	402.510	3.961	10	20	HHCD	
O=S(=O)(CCNCc1ccc2c(c1)CCN2Cc1ccccc1)Cc1ccccc1	796282781	ZHWCKGIHESIDJG-UHFFFAOYSA-N	420.578	3.954	10	20	HHCD	
CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2ccc(N3CCCCC3)cc2)s1	796530552	VNXTWMYSTPXVGQ-CVEARBPZSA-N	401.580	3.844	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCC3([S@](C)=O)CCC3)cc2Cl)C1	799986858	HYUNFFFBVCSBBO-RXAIFQJESA-N	411.999	3.677	10	20	HHCD	
CC(C)CS(=O)(=O)CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800047409	LDBYFCKPHHOJNL-INIZCTEOSA-N	414.999	3.653	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ncc(CNCc2ccc(N3CCOCC3)c(F)c2)s1	800223255	WJSZTHAFMWTXHH-UHFFFAOYSA-N	422.526	3.756	10	20	HHCD	
CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)/C=C/c1ccc(O)c(O)c1	800614666	CIVFKSFPCRFFSO-XVNBXDOJSA-N	423.296	3.583	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H](CO)Cc3ccco3)cc2Cl)C1	800719797	NQJQZORCVCDKNC-WMZOPIPTSA-N	419.953	3.820	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](O)c2cccnc2)c(C)n1-c1ccc(F)c(Cl)c1	803959995	MKKYHLWDMAKCBH-FQEVSTJZSA-N	416.836	3.741	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H]3c3ccsc3)cc2)CC1	805025321	NRCDPKMFUDJPSA-OAQYLSRUSA-N	411.571	3.964	10	20	HHCD	
CC[C@@H](N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1ccc(N(C)C)cc1	806169967	NCUZMBJZQWOAQD-YADHBBJMSA-N	411.546	3.612	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br	808096840	IPGYUSJJLYXGDF-UHFFFAOYSA-N	418.215	3.618	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2ccc(N(C)C)c(C)c2)C(C)C)cc1	815043818	VJWVWADMVJYPOD-JOCHJYFZSA-N	413.562	3.670	10	20	HHCD	
OC[C@H](CNCc1cc(Cl)c(F)cc1O)Cc1ccccc1Br	816591413	DFTPBPLGAGGWIO-NSHDSACASA-N	402.691	3.888	10	20	HHCD	
O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1CCc1ccccc1	824017441	MVEHOPZEQJKGBU-WOJGMQOQSA-N	410.499	3.850	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(c3ccccc3)CC2)c1	887559435	VXUHAZIPUZMDQO-UHFFFAOYSA-N	408.542	3.807	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)c(C)n1-c1ccccn1	914903649	QZEKHSPZHHFWIG-XLIONFOSSA-N	419.481	3.674	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N1CCc2ccccc21	916622574	APWSNFPMXNFGOE-WIYYLYMNSA-N	409.530	3.534	10	20	HHCD	
CC(C)c1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccc1	917709305	TUQHJWGDDVSCFO-UHFFFAOYSA-N	422.504	3.901	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2F)C[C@@H](C)O1	917917822	IIYFAHQAGILMFA-OKILXGFUSA-N	412.914	3.571	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1	918196409	SHVKVNRMJGTMFE-UHFFFAOYSA-N	408.501	3.846	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1c1ccsc1	918220353	BTHWYBXSYYRVSI-IBGZPJMESA-N	403.523	3.895	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1N(C)C	918309032	BOZGCEGRRXUQLX-UHFFFAOYSA-N	408.546	3.648	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C3CCOCC3)CC2)c1	1319028658	RTUSZWOLOQLNPY-UHFFFAOYSA-N	401.938	3.684	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@H]4CCCC[C@]43c3ccccc3)nc12	1324255525	NOCXXNGBLJXJPE-HXOBKFHXSA-N	406.486	3.513	10	20	HHCD	
CN1CCN(c2ccc(CN(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)cc2F)CC1	1347233559	HDXDINFDGZPXKI-VQTJNVASSA-N	415.578	3.578	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CCC=CO3)C2)cc1	1844247001	FCCMTSRHTXYKLH-JOCHJYFZSA-N	419.525	3.604	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(F)c[nH]3)C2)cc1	1846223084	QGQXRYLWXNNUDR-UHFFFAOYSA-N	420.488	3.692	10	20	HHCD	
CC(C)OCc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	64534085	HBFYEZNOOFKIDX-UHFFFAOYSA-N	401.482	3.909	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ncnc4sc([N+](=O)[O-])cc34)cc2F)C[C@@H](C)O1	804359309	OCYBPOSDMAIHLO-TXEJJXNPSA-N	417.466	3.964	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(OC(F)F)n(C)n3)cc2Cl)C1	800049186	HFGRTEHVULSPMC-GFCCVEGCSA-N	412.868	3.841	10	20	HHCD	
COCCn1cc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c(C)n1	800344819	VVWJZJQMRKZBPZ-OAHLLOKOSA-N	404.942	3.658	10	20	HHCD	
CC[C@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1	807165993	PTHAMZBBDDNCOJ-ICSRJNTNSA-N	411.546	3.959	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	813719967	QIPMRYOGSMNJGW-HQRMLTQVSA-N	416.566	3.855	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1OCCc2sccc21	814319772	QMETXTGIWZRACE-FOIQADDNSA-N	402.585	3.868	10	20	HHCD	
COc1cc(NCc2cc(Cl)c(F)cc2O)ccc1S(=O)(=O)N1CCCC1	816480016	ATHNQVWDCDSZKO-UHFFFAOYSA-N	414.886	3.590	10	20	HHCD	
COc1ccc(N(Cc2nnnn2-c2ccccc2Br)C(C)C)cc1F	727831008	BSGMBIASCZVXIJ-UHFFFAOYSA-N	420.286	3.988	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	727728595	LGJQNPUEHHYPFL-PXNSSMCTSA-N	419.566	3.673	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(C(=O)N(C)C)cc2)c(C)n1-c1cccc(F)c1	728352692	IDEGJELKQWDOAF-UHFFFAOYSA-N	422.456	3.975	10	20	HHCD	
C[C@H](NCc1cc2c(cc1O)OCO2)c1cc2c(cc1Br)OCCO2	725849913	XIEVGGFSNOUQQA-JTQLQIEISA-N	408.248	3.505	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3coc(-c4ccccc4)n3)cc2F)CC1	737555320	PUFCWCPAJGBPLN-UHFFFAOYSA-N	408.477	3.553	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3cn(CC)c4ccccc34)cc2F)CC1	730192692	KZCMLHLITDPFNB-UHFFFAOYSA-N	422.548	3.801	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)c2ccc(OCC)cc2)sc(C(C)=O)c1C	739927005	QVOSYMIFGGUXES-UHFFFAOYSA-N	418.515	3.909	10	20	HHCD	
CC(C)C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	918118273	XSRSFEUFZXHYFJ-GMAHTHKFSA-N	422.573	3.975	10	20	HHCD	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(N3CCOCC3)c2)CC1	918374611	PYJKWFZYFJUHBR-UHFFFAOYSA-N	424.501	3.920	10	20	HHCD	
COc1cccc(CNC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1O	745681297	PTEXSRRBXGCTQI-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1	919992047	QGQONZLAPCDYAG-HXUWFJFHSA-N	422.554	3.858	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1)C1CCCCC1	742416652	JVDDGSDFJSEEKH-UHFFFAOYSA-N	414.571	3.930	10	20	HHCD	
COc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	746517219	MUNNMLQBCFCHFL-SFHVURJKSA-N	411.546	3.870	10	20	HHCD	
O=C(NC1CCN(C2CCCCC2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	747593009	RVWPBLUTYHSEHR-QFIPXVFZSA-N	415.578	3.880	10	20	HHCD	
O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1	917846638	YAGCYYCIBJMYAK-UHFFFAOYSA-N	405.526	3.565	10	20	HHCD	
CC[C@H](C)NC(=O)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	918628088	WHPSWBSMFNJHIN-ZDUSSCGKSA-N	420.351	3.891	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@@H](O)COc1cccc2ccccc12	916633172	NRZFLFBQODARMM-YADHBBJMSA-N	407.510	3.966	10	20	HHCD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970758	CCDYFUXBCICTNG-CQSZACIVSA-N	406.885	3.524	10	20	HHCD	
O=C(NCCOCc1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	747508215	ZFFOZQMKBAJBHK-SFHVURJKSA-N	419.472	3.773	10	20	HHCD	
CC(C)CCc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	745299068	VQVVQKHFPOGYGW-UHFFFAOYSA-N	423.557	3.709	10	20	HHCD	
CCN(CC)c1ccc(CN(C)Cc2nc(N)nc(Nc3ccccc3OC)n2)cc1	741678492	RGXPPTZOMHHSFV-UHFFFAOYSA-N	421.549	3.684	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccncc3)cc2F)C[C@@H](C)O1	744280243	HQPDFRLMLZJMGF-BBWFWOEESA-N	400.498	3.737	10	20	HHCD	
CC(C)Cn1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1	743221709	DSSCQGJKSYKLEA-UHFFFAOYSA-N	407.465	3.931	10	20	HHCD	
CC[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1ccccc1C	752029655	HEGQIBUUZXIXPO-JOCHJYFZSA-N	411.546	3.831	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)cc1	755936501	FAHKGGBDJRAWEE-UHFFFAOYSA-N	412.914	3.530	10	20	HHCD	
COc1ccc(C)cc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	920180619	QMZVOCAOSYEVAG-UHFFFAOYSA-N	421.520	3.549	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3c(Cl)cccc3Cl)no2)c1	758288012	BTIYPBKXJUSTFG-UHFFFAOYSA-N	400.243	3.788	10	20	HHCD	
Cc1nnc(CN[C@H](C)c2cc(Br)cc(Br)c2O)s1	757638980	OFKOYKZYDPMEGC-ZCFIWIBFSA-N	407.131	3.928	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc3c(c2)CC(C)(C)O3)C2CC2)cc1	759501000	PWLAUWBJEBZSSZ-UHFFFAOYSA-N	407.514	3.596	10	20	HHCD	
CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)NCc2ccccc2O)cc1	752871508	NHENQAYTKDXGFC-UHFFFAOYSA-N	401.463	3.617	10	20	HHCD	
C[C@@H](N[C@@H]1CCc2c[nH]nc2C1)c1cc(Br)cc(Br)c1O	756645199	FELCGXFAFBSIRQ-LDYMZIIASA-N	415.129	3.848	10	20	HHCD	
Cc1cc(Br)cc(CNC[C@H](Cc2ccccc2Cl)C(N)=O)c1O	757906181	KWHHOCJYGGZBAT-AWEZNQCLSA-N	411.727	3.550	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccccc1Br)c1cc(Cl)ccc1O	756761199	SBSLOEFHSFFAIH-AAEUAGOBSA-N	400.700	3.899	10	20	HHCD	
COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c1	753918664	PEWNBCXRQZNFGX-UHFFFAOYSA-N	410.498	3.712	10	20	HHCD	
CCCn1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C1CC1	765648350	UFVRIZIQHBUEJS-HZPDHXFCSA-N	414.525	3.853	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)c1	769542570	GWJDFWPZIJYKKW-DQLDELGASA-N	422.525	3.801	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3C(F)(F)F)cc2F)C[C@H](C)O1	765472390	OIKUZCVFEJTWJM-STQMWFEESA-N	411.399	3.783	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1	761789669	HMYOTKDBTKKXMN-KURKYZTESA-N	411.546	3.918	10	20	HHCD	
COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	764616301	NEBRYLQECUFLRY-OAHLLOKOSA-N	404.482	3.539	10	20	HHCD	
C[C@H](OCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	768979086	PPIWBBZKAUACBR-INIZCTEOSA-N	422.447	3.764	10	20	HHCD	
COc1ccccc1S(=O)(=O)CCCN(Cc1ccc(N(C)C)cc1)C1CC1	766757946	PMKSWUAORPOQJU-UHFFFAOYSA-N	402.560	3.590	10	20	HHCD	
C[C@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1Cl	766606595	FDSWCDFBTIRTSL-ZDUSSCGKSA-N	402.848	3.786	10	20	HHCD	
C[C@H](NC(=O)c1csc(-c2ncccc2F)n1)c1ccc(N2CCOCC2)cc1	768334681	OVSBUHURLBDBLU-AWEZNQCLSA-N	412.490	3.672	10	20	HHCD	
CCOC(=O)c1n[nH]c(C2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)n1	775204808	GVTDPHOCCBDPTO-UHFFFAOYSA-N	406.486	3.734	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	775726937	BXNJHQVXBULJDY-FCHUYYIVSA-N	411.571	3.994	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1	773767422	LMMSPNBLZGNSNR-ZDUSSCGKSA-N	411.404	3.968	10	20	HHCD	
CCOCCCNC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775519862	SNKLAXAAIWGDQT-QGZVFWFLSA-N	412.534	3.792	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1F	773004708	MLFQHVJTBPTTCX-RXVVDRJESA-N	402.558	3.830	10	20	HHCD	
C[C@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1Cl	775258919	CBZMEHPSPJMYTA-SJORKVTESA-N	401.938	3.705	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776245005	HBCRMIQSVBGHQW-IRXDYDNUSA-N	404.555	3.760	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)c(C)n1-c1ccc(F)cc1	779193958	VAADQNUSPBIAEE-XMMPIXPASA-N	403.457	3.969	10	20	HHCD	
CC(C)Oc1cccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	786844649	YLWRAEROYSVXLE-UHFFFAOYSA-N	423.557	3.739	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2ccccc2OC)cc1	788976727	BFLKDSFVUUXPAM-OAQYLSRUSA-N	409.530	3.521	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccnc1Oc1ccccc1	784025921	NZQLKFIREYQHEI-UHFFFAOYSA-N	405.454	3.957	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)OC(C)(C)C)C2)cc1	783937549	CYASJSNAAHHLGN-DFQSSKMNSA-N	416.566	3.587	10	20	HHCD	
Cc1ccc([C@H]2C[C@H](C)N(C(=O)C(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1	788935068	AMWNWTVESDMKGW-UGKGYDQZSA-N	405.542	3.616	10	20	HHCD	
O=C1C[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21	789652125	RYNDYAQSWOMSOU-LIRRHRJNSA-N	400.425	3.743	10	20	HHCD	
Cc1ccc(CCCNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)c1	785507265	WLWPDCBTAQWZBS-UHFFFAOYSA-N	420.509	3.880	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(N2CCc3ccccc32)CC1	799933602	UIOYKZJMBIIZIJ-UHFFFAOYSA-N	402.542	3.800	10	20	HHCD	
Cc1cccnc1[C@@H]1CCC[C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	798926882	NNKSBRAEJKYTSX-BHIFYINESA-N	406.574	3.908	10	20	HHCD	
Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	796865327	ZXJCYEYYRLTTRI-UHFFFAOYSA-N	412.493	3.688	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc[nH]2)C3)cc1	1800513724	QVQMINTZYXZGMG-QQFNCUIESA-N	416.525	3.988	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccc(N3CCNC3=O)cc2)cc1)C1CCCCC1	72043664	VVEMKWBICDFDJW-UHFFFAOYSA-N	406.530	3.915	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(OCC(F)(F)F)nc3)CC2)cc1	195546889	YJBMEDVYEHBEEB-UHFFFAOYSA-N	424.423	3.776	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCC[C@@H](C(=O)NC(C)C)C3)ccc21	522500487	MVEXWEFBPCSUGP-QUCCMNQESA-N	413.562	3.718	10	20	HHCD	
COCCCOc1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1OC	806623931	ZOCZOYQDCGDMQB-AWEZNQCLSA-N	404.463	3.707	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F	806739366	HFKZICUMQUPCFY-UHFFFAOYSA-N	405.445	3.951	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N(Cc2ccccn2)C2CC2)cc1)C1CCCCC1	803676567	MQOKJKUJQZLWQA-UHFFFAOYSA-N	420.557	3.658	10	20	HHCD	
CCCCC[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1)C(C)(C)C	804317734	NTPLRASKFVXYIA-OAQYLSRUSA-N	417.594	3.891	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCCCc2cccs2)cc1)C1CCCCC1	803677423	OXDJWYLWLGCXTA-UHFFFAOYSA-N	413.587	3.882	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](c2ncccc2C)C(C)C)cc1	805871153	CEGJALGCONPGHA-OAQYLSRUSA-N	410.562	3.708	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)n2)c(C)o1	806912729	KMOORZRSSVBKPA-UHFFFAOYSA-N	422.510	3.651	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccccc2)Cc2ccco2)n(C)c2ccccc12	564002556	HLHVJCJRTLAYKT-UHFFFAOYSA-N	415.493	3.925	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H](C2CC2)C1	811532003	VDLUZISNHISVOB-CQSZACIVSA-N	406.529	3.517	10	20	HHCD	
Oc1ccccc1[C@H](CCc1ccccc1)NC[C@H](N1CCOCC1)C(F)(F)F	815625905	PTLYJXBBFXEVTN-FPOVZHCZSA-N	408.464	3.919	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@H]1CCCS(=O)(=O)C1	815951490	GDRWWXSPHQRCCR-ZWKOTPCHSA-N	401.528	3.697	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccc(F)c2)cs1)c1cnn(Cc2ccccc2)c1	727244587	CIZZFVAMRWQXAE-UHFFFAOYSA-N	414.487	3.995	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)cc1	726627795	REYNPHHBOUJIHE-NTEUORMPSA-N	406.435	3.793	10	20	HHCD	
CNC(=O)c1cc(Oc2ccc(NC(=O)N(C)Cc3ccccc3O)cc2F)ccn1	810312710	QZLXJKPWCISJRG-UHFFFAOYSA-N	424.432	3.742	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1	813795165	GMGSSAZGQJQJNB-KRWDZBQOSA-N	403.523	3.856	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H](c3ccc(C)cc3)N(C)C)CC2)cc1	726707697	APKFUCJSYSFXCH-HSZRJFAPSA-N	410.562	3.575	10	20	HHCD	
CC(C)COC[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccco1	725867838	MDXHOTGFZSJTQH-OAQYLSRUSA-N	415.534	3.672	10	20	HHCD	
O=C(OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1cc(O)cs1	732354460	MWPUJCPBYOZBSK-CYBMUJFWSA-N	402.453	3.643	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)cc1F	732457835	UPKSMVFHAKQAEO-QGZVFWFLSA-N	400.281	3.731	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3nc(C(C)C)n(-c4cccc(F)c4)n3)CC2)cc1	735422050	QUHVQAWBZQVMPQ-UHFFFAOYSA-N	423.492	3.501	10	20	HHCD	
C[C@H](c1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1)N1CCOCC1	735575525	VRBZYZAZSAWRGQ-GOSISDBHSA-N	408.546	3.784	10	20	HHCD	
Cc1ccc(CN2C[C@@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2=O)cc1	731015835	IRIQXEIQNSONCF-QHCPKHFHSA-N	419.569	3.896	10	20	HHCD	
COc1ccc(S[C@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	919969322	UWDHBCFRLLNDHB-QGZVFWFLSA-N	414.571	3.701	10	20	HHCD	
CN(C[C@H]1CCCCO1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	918684506	PGPXNUMQUGTNOH-IZCBMXNHSA-N	424.613	3.757	10	20	HHCD	
CCOc1ccc(OC(C)(C)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	917821668	MJIWACNTAJVNDR-UHFFFAOYSA-N	412.530	3.990	10	20	HHCD	
CCN(C[C@@H]1CCCO1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	743912055	QQFMXYNQBQGIKZ-QXPQOBGOSA-N	424.613	3.757	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2ccccc2Cl)[nH]n1	919969470	YYJNWJARWVLTIP-UHFFFAOYSA-N	424.932	3.869	10	20	HHCD	
C[C@H]1CCCN(CCCCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	916504109	QEBYOCBYTQDHEW-PZJWPPBQSA-N	403.567	3.595	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	749401078	UVOCMIDNLOITJC-UHFFFAOYSA-N	422.312	3.956	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1	743150488	VAVAYORBBWBHHS-UHFFFAOYSA-N	418.563	3.877	10	20	HHCD	
COc1ccc(Br)cc1CNC(=O)NCc1ccc(N(C)C)c(F)c1	747471328	NOVUOYJBVCGHOK-UHFFFAOYSA-N	410.287	3.662	10	20	HHCD	
CCCCn1ncc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C	746366157	QFEOCSFZKJOBGY-UHFFFAOYSA-N	411.550	3.579	10	20	HHCD	
O=C(CCCOc1ccccc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1	747872017	XUEIENZFNCKNGQ-UHFFFAOYSA-N	420.912	3.916	10	20	HHCD	
Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	918117864	RLACJDVGDLPEQR-WIYYLYMNSA-N	408.546	3.599	10	20	HHCD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C(C)C)c(O)cc3C)cc2C[C@H]1C	755985913	PTAQFQACSYASLG-CQSZACIVSA-N	402.516	3.922	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)CC(=O)c3ccccc3F)CC2)cc1F	753732141	QPEROBNHONLOLU-HNNXBMFYSA-N	402.441	3.531	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c[nH]1	753136234	CXSQBSDKMDLZHF-BRYYZUPOSA-N	400.481	3.526	10	20	HHCD	
CCOc1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1Cl	857473352	XHOXKMMFTYAKRN-INIZCTEOSA-N	424.328	3.887	10	20	HHCD	
CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)c1	757621319	BQLNJTCQUUEKLC-HUUCEWRRSA-N	420.531	3.570	10	20	HHCD	
C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)c1c[nH]c2ncccc12	767496624	RCDPKGYHOXZDTI-ZDUSSCGKSA-N	424.412	3.767	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	761578673	VWYPEPSMAJSAPB-XHSDSOJGSA-N	415.465	3.767	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3cccc(Oc4cccnc4)c3)CC2)cc1	769928735	OQCVMXPOPDHYAQ-UHFFFAOYSA-N	419.481	3.610	10	20	HHCD	
C[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc[nH]1	760731120	OABMWQTUXIJMID-PKVLTRFUSA-N	405.570	3.935	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c2ncccc12	766495650	NLCSWWHCFPBRKN-UHFFFAOYSA-N	402.413	3.660	10	20	HHCD	
C[C@@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCC2)cc1	765625076	VQEMAOIGDCICTP-OSPHWJPCSA-N	406.530	3.582	10	20	HHCD	
CCOc1c(OC)cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1OC	765512658	BGFQBECZSXANET-MRXNPFEDSA-N	418.509	3.929	10	20	HHCD	
CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1	765215360	UXYLWIZIBYNAMZ-UHFFFAOYSA-N	400.544	3.791	10	20	HHCD	
O=C1/C(=C/c2csc(Cl)c2Cl)SC(=S)N1CCCN1CCOCC1	760989755	PXLVULHHHFYZHA-FLIBITNWSA-N	423.412	3.978	10	20	HHCD	
C[C@@H](NC(=O)COc1ccc(C=O)cc1Br)c1ccc(N(C)C)cc1	775411606	QWDQKBZINWFNKP-CYBMUJFWSA-N	405.292	3.584	10	20	HHCD	
C[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1)c1ccc(N(C)C)cc1	776238294	IMBXKFUDTACKIX-XMSQKQJNSA-N	408.546	3.808	10	20	HHCD	
CC[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1O	775521890	DECHGOMAQBMZCP-CHWSQXEVSA-N	409.246	3.749	10	20	HHCD	
CCC[C@@]1(CO)CCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	770703197	ZZIXKXWZHLXIMM-KKSFZXQISA-N	411.493	3.593	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(CN(C)C(=O)C(C)C)cc3)c2)CC1	770152422	IFMGEMJPCAGHGR-UHFFFAOYSA-N	422.573	3.695	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CSc3nncs3)c2C)cc1F	775969584	RDIMHXJBDLQJOC-UHFFFAOYSA-N	419.503	3.911	10	20	HHCD	
Cc1cccc(C)c1Oc1ccccc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1	774356201	JJNSZFFZXCCITE-UHFFFAOYSA-N	420.465	3.804	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccnc(SC(C)(C)C)c1	778862060	IAYHZPGHBVVPGV-UHFFFAOYSA-N	415.559	3.854	10	20	HHCD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(OC)c(OC)cc1O	775643415	XNCXYKXCMSIQDW-UHFFFAOYSA-N	412.408	3.677	10	20	HHCD	
COc1ccc(C)cc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771055475	CFDAPLVJSUVNLY-IBGZPJMESA-N	402.922	3.686	10	20	HHCD	
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	770756485	MGMFWVMJZQLBDZ-IIBYNOLFSA-N	417.550	3.954	10	20	HHCD	
Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773854495	CYLMCQDJVCXBBB-INIZCTEOSA-N	402.498	3.939	10	20	HHCD	
CCOc1ccc(C(C)(C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OCC	773747467	AIYZPOSYJRZDNY-OAHLLOKOSA-N	401.503	3.920	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CSc1nc(-c2cccc(OC)c2)no1	781097485	GQMJXTXHVPAGFN-UHFFFAOYSA-N	413.499	3.982	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C4CCOCC4)C[C@H]3C)c2C)cc1	785992191	ISJXVIDVSNSRJX-HXUWFJFHSA-N	409.574	3.770	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(C)c1C(F)(F)F	782101795	YHSXCIXSDOCDDA-UHFFFAOYSA-N	421.217	3.961	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)cc3Br)c2)CC1	781045355	JOLZTNOMVAETAL-UHFFFAOYSA-N	420.282	3.509	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)ccc1O	799923870	WSCREKGKIOZBLS-UHFFFAOYSA-N	416.684	3.565	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1	793797470	RWQFCJZKUJYOQE-ZDUSSCGKSA-N	411.404	3.968	10	20	HHCD	
COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1cc(Br)ccc1O	797039679	ZRLFPYQXVIAHIL-LLVKDONJSA-N	414.321	3.881	10	20	HHCD	
C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C(=O)OC(C)(C)C	1319290190	MTXPGFCNXYPOLG-IAGOWNOFSA-N	409.546	3.816	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)NC[C@H]2CCCO2)c1	1322881767	ANTHMOFGORSBHA-DOTOQJQBSA-N	404.894	3.588	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCNC(=O)OC(C)(C)C)c(C)n1-c1ccccc1	7257086	WROUTDFLSCNHMY-UHFFFAOYSA-N	400.475	3.735	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2	116431106	NYSUNECTWPIQJA-OAQYLSRUSA-N	415.946	3.993	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1	116033974	QABINTREOZERFV-UHFFFAOYSA-N	422.504	3.611	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCNC(=O)C(C)(C)C)c(C)n1-c1cccc(F)c1	25983045	ZUPMIPYSVKSSJL-UHFFFAOYSA-N	402.466	3.512	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCCN3C[C@@H](C)C[C@@H](C)C3)CC2)cc1	110464723	YMMHJLXRLAMHIE-BGYRXZFFSA-N	416.610	3.721	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc(SC)cc3)CC2)cc(OC)c1OC	33897638	KBSLOMHERGZUOT-UHFFFAOYSA-N	417.531	3.788	10	20	HHCD	
CC[C@@H](C)N[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1ccco1	807443857	VUJXYYSJFRGSLI-DOMZBBRYSA-N	410.312	3.676	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc2Cl)C1	800720673	VNDIPUZXNIQOTN-GJZGRUSLSA-N	408.974	3.679	10	20	HHCD	
CSCc1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	805839855	IRSAWHLTZXLQAV-UHFFFAOYSA-N	413.587	3.758	10	20	HHCD	
NCCN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc([N+](=O)[O-])cc1	809734870	MXMRSKBHKYZQKG-UHFFFAOYSA-N	414.469	3.808	10	20	HHCD	
Cc1cc(CC(=O)NCc2ccc(CC(N)=O)cc2)c(C)n1-c1ccc(Cl)cc1	811585002	DFRSICIGADPEJB-UHFFFAOYSA-N	409.917	3.634	10	20	HHCD	
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N1CCOc2cc(N(C)C)ccc21	561649305	UMOMBLCKZJKHGK-UHFFFAOYSA-N	410.518	3.878	10	20	HHCD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cc(OC)ccc2O)nc1	811806415	VQOSRRXPSYWESC-UHFFFAOYSA-N	413.499	3.623	10	20	HHCD	
Cc1cccc(C)c1OC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	726240804	ZWJDFTGMEDYAJV-UXHICEINSA-N	411.546	3.968	10	20	HHCD	
C[C@@H](NC(=O)N(C)C[C@H]1OCCc2ccccc21)c1ccc(N2CCOCC2)cc1	725865787	PCIXFXNYDKVUGE-WZONZLPQSA-N	409.530	3.540	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@@H](c3cccc(F)c3)C2)c1	729468267	AZCHFTGDIZRRLE-LJQANCHMSA-N	412.505	3.556	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1	735883123	WGAAYCSUCMYRRM-UHFFFAOYSA-N	407.474	3.914	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CCCc4ccccc4C3)cc2F)CC1	730135295	SRVUXUANABODPQ-UHFFFAOYSA-N	410.537	3.626	10	20	HHCD	
Cc1ccc([C@H](NC(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)cc1	731844876	PLWMQJCQZNDJIK-RDGATRHJSA-N	408.542	3.949	10	20	HHCD	
Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1	739768156	MAXCPVDXLDITLQ-UHFFFAOYSA-N	406.530	3.549	10	20	HHCD	
C[C@@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccsc1	738838790	YNHMWUQSBTVKFC-CYBMUJFWSA-N	419.458	3.809	10	20	HHCD	
Cc1cccc(NC(=O)CSCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	914485417	UIWKARIOKITXJS-UHFFFAOYSA-N	411.571	3.924	10	20	HHCD	
CCOC(=O)c1sc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1C	917074073	PJBDVLXZHJHZHY-UHFFFAOYSA-N	415.559	3.902	10	20	HHCD	
CCOc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OCC	915313629	YOBDXHQPYRFYQY-UHFFFAOYSA-N	413.518	3.985	10	20	HHCD	
COc1cc(-c2noc(CN(Cc3ccccc3O)C[C@H]3CCCO3)n2)ccc1C	749295294	CGPFDOGVWATBPI-LJQANCHMSA-N	409.486	3.940	10	20	HHCD	
C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918220068	SFPJJJDZFAXZPJ-OAHLLOKOSA-N	403.473	3.829	10	20	HHCD	
Cc1ncc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1	919879017	BQDCEQAHMVDJPL-RIYZIHGNSA-N	423.610	3.811	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1	917754026	QSTHTQMDBGFVQS-UHFFFAOYSA-N	410.561	3.791	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H]3C3CCCC3)CC2)cc1	918058796	VMTRXYJAFFDGQC-HSZRJFAPSA-N	414.594	3.572	10	20	HHCD	
CN(C)CCOc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742384579	ITKDJKQUNWYXFV-LJQANCHMSA-N	419.516	3.987	10	20	HHCD	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	746692191	QZJWXGVCMVHCRN-HXUWFJFHSA-N	413.474	3.700	10	20	HHCD	
Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	918457455	TUFXCKDTULROIC-UHFFFAOYSA-N	420.557	3.791	10	20	HHCD	
COCc1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743533806	KSXLHTJDEFMIRS-GOSISDBHSA-N	419.472	3.903	10	20	HHCD	
COCCCOc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1	749926315	UIVRHKWLIRUVBX-UHFFFAOYSA-N	423.557	3.886	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cc(-c2ccccc2)no1	916635954	HTHUJGIWZJPREX-UHFFFAOYSA-N	406.486	3.520	10	20	HHCD	
COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC	742799265	IUASHIYVORCWIK-HNNXBMFYSA-N	406.429	3.704	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cc(Cl)cc2cccnc12	749730393	OGWPWZJZMKQZIA-UHFFFAOYSA-N	406.920	3.582	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](c1ccco1)N(C)C	745283744	BMYPKDCUJGAFKY-HNNXBMFYSA-N	410.312	3.582	10	20	HHCD	
CC(C)C[C@H]1CCCCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	741081169	MHFSCSVRRAUIHZ-IFMALSPDSA-N	414.594	3.889	10	20	HHCD	
COc1cc(N2CCN(C(=O)C3(c4cc(C)cc(C)c4)CC3)CC2)cc(OC)c1OC	759225527	OIFFWJGJSAFHSE-UHFFFAOYSA-N	424.541	3.710	10	20	HHCD	
C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2Br)c2c(O)ccc(F)c21	756761970	VPCXHESERMYSTM-JMSVASOKSA-N	410.283	3.872	10	20	HHCD	
CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C12CCCCC2	750637031	JDMIPZIXBIMNIH-RTWAWAEBSA-N	419.541	3.589	10	20	HHCD	
Cc1ccc(-c2cncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)cc1	757613775	JYDMLMSOJVWMHM-UHFFFAOYSA-N	405.473	3.963	10	20	HHCD	
CCC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)N1CCc2sccc2C1	756535505	NIKZWHMPDYZKIE-DYVFJYSZSA-N	403.504	3.766	10	20	HHCD	
COC(=O)c1ccc(C)c(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)c1	756316009	FBIVOGVGBCZMIV-UHFFFAOYSA-N	408.454	3.721	10	20	HHCD	
CC1(c2ccccc2)CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1	753039887	AOXZSCRSFLXWHW-UHFFFAOYSA-N	411.521	3.926	10	20	HHCD	
COc1cccc(CNC(=O)c2c(C)c3cc(Br)ccc3oc2=O)c1O	755774079	HBQQFNNUNJRZTK-UHFFFAOYSA-N	418.243	3.508	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(CN4CCCCC4=O)c3)CC2)cc1	750308271	KTTIBCMCPNQIPH-UHFFFAOYSA-N	422.529	3.562	10	20	HHCD	
Cc1ccc(-c2ncco2)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	760001175	SNZXWMODJLKCFA-UHFFFAOYSA-N	410.449	3.947	10	20	HHCD	
Cc1ccc(OCCCC(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)c1	765041058	MMDMDSKLLAIMIE-UHFFFAOYSA-N	402.922	3.960	10	20	HHCD	
COc1cccc([C@H](O)CN(Cc2ccccc2)Cc2cc3c(cc2O)OCO3)c1	769542708	AWGSWJOYLSFOQY-JOCHJYFZSA-N	407.466	3.865	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c1O	769543382	OKHNEMOATGMLNB-KRWDZBQOSA-N	414.340	3.713	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(CN2CCCCC2=O)cc1	765728973	WYWXNCYJVGLQCZ-UHFFFAOYSA-N	417.303	3.597	10	20	HHCD	
COc1cc(O)c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1OC	768442483	QOBFGCGAYLUILI-UHFFFAOYSA-N	410.436	3.746	10	20	HHCD	
CCOc1cccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1O	767192201	OLYHTJWBWMOEGS-INIZCTEOSA-N	408.420	3.700	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)c2C)cc1	762248293	LOWXFUPEAIYYQC-IBGZPJMESA-N	409.530	3.624	10	20	HHCD	
OC[C@H](CNCc1cc(Br)ccc1O)Cc1cc(F)c(F)c(F)c1	767710670	GTXXPGUCYMKAOB-NSHDSACASA-N	404.226	3.513	10	20	HHCD	
C=Cc1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1	760143995	DCMIYGDRBDGAAD-UHFFFAOYSA-N	417.488	3.515	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncoc1[C@H]1CCCO1	1116143053	JWTXWDWSSIBIFK-CZUORRHYSA-N	407.417	3.526	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1)c1ccc(N(C)C)cc1	776240246	XZTUGZYYAYBOLK-QGZVFWFLSA-N	409.534	3.809	10	20	HHCD	
COc1ccc(F)cc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	775824277	PKSCIMJNUSIMBZ-NRFANRHFSA-N	400.494	3.651	10	20	HHCD	
C[C@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(N(C)C)cc1	773615404	XGHUPGNGWFMTBH-INIZCTEOSA-N	414.937	3.635	10	20	HHCD	
COc1ccc(NCc2cc3c(cc2O)OCO3)cc1OCc1cn2ccccc2n1	770529980	LHAGUSNITJEKRS-UHFFFAOYSA-N	419.437	3.968	10	20	HHCD	
COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(C)c1	771219514	IBISCMOURQRHKN-UHFFFAOYSA-N	406.685	3.926	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776236786	BITSLVYIIBUCTQ-SJORKVTESA-N	404.555	3.712	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C)c1ccc(N(C)C)cc1	773844383	AETDVHGPDSMFGA-AWEZNQCLSA-N	401.482	3.885	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1	778674972	SVJMYTWEXBONSB-NZQKXSOJSA-N	404.558	3.773	10	20	HHCD	
COc1ccc([C@H](C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	774858167	WFQYEYHIJDLOMM-HNNXBMFYSA-N	414.461	3.760	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ncc(C(C)(C)C)s2)C2CC2)cc1	789382913	SZJYUJQUKHJJEE-UHFFFAOYSA-N	400.548	3.636	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2	780494684	AXXNHHWRFUHOEI-AUSIDOKSSA-N	401.551	3.748	10	20	HHCD	
C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)N(C)c1ccccc1	789010161	BYOCGWQGWUXPHV-OAHLLOKOSA-N	413.429	3.670	10	20	HHCD	
Cc1cc(Br)cn2c(/C=C3\SC(N4CCCCC4)=NC3=O)cnc12	783699713	KSGQXAOUMQOCGZ-ZSOIEALJSA-N	405.321	3.861	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(N(C)C(C)C)c1	783316449	MWMGDGRBXFXKQY-UHFFFAOYSA-N	410.562	3.973	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@H](CN1CCCCC1)c1ccccc1	782994030	LVAVJMOQJMYTDX-XMMPIXPASA-N	408.590	3.528	10	20	HHCD	
CN(C)c1ccc([C@H](CNc2ncccc2[N+](=O)[O-])NC(=O)OC(C)(C)C)cc1	795227455	ORPPHOCMPZUKED-INIZCTEOSA-N	401.467	3.734	10	20	HHCD	
COCCOC1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	799995684	STGORQHRSVSGIF-KRWDZBQOSA-N	423.985	3.913	10	20	HHCD	
O=C(CCc1cnc2ccccc2c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	792206317	GGXNLADHTJOGFP-UHFFFAOYSA-N	407.489	3.584	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](N4CCOCC4)C[C@H]3C)c2C)cc1F	796379603	UWBUQRDWGDKKHK-UTKZUKDTSA-N	413.537	3.519	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1OC	799183503	QQPZOFJGRXYWBX-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(-n2cccn2)c(F)c1	1318532322	UUSIIZNRCSRBAV-UHFFFAOYSA-N	419.504	3.796	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(Br)o3)CC2)cc1	1320553062	FRXSQMVFWDPBIQ-UHFFFAOYSA-N	408.296	3.519	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(N=c4cc[nH]cc4)cc3)CC2)cc1	1324627277	PGSNASKYXRWXLH-UHFFFAOYSA-N	402.498	3.608	10	20	HHCD	
CCn1nc(C(C)C)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	1251150821	RXPXHNOGYRGDDK-HOTGVXAUSA-N	402.514	3.709	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCNC(=O)Cc2ccccc2)c(C)n1-c1ccccc1	21860250	SMTZLOGZNPLWIU-UHFFFAOYSA-N	418.493	3.569	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)CCCC4)CC2)cc1	24088976	ZDZDOCMPUGQTNM-UHFFFAOYSA-N	407.558	3.516	10	20	HHCD	
CCCn1c(=O)n(CCC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc21	116034319	INHRHOSSJZBVGN-UHFFFAOYSA-N	420.557	3.910	10	20	HHCD	
O=[N+]([O-])c1cc(CNCCCc2nnc3n2CCCCC3)ccc1N1CCCCC1	727471075	HGMMBQHMLCHZCA-UHFFFAOYSA-N	412.538	3.625	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)C2CC2)cc1	728233571	ACBZSYKWHBYTDX-QFIPXVFZSA-N	407.514	3.827	10	20	HHCD	
Cc1cc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c(C)n1-c1ccccn1	728968532	DFGXZBWBYZRSNU-FQEVSTJZSA-N	403.404	3.669	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)cc1	729176392	PQMGJLBWSWKDBF-INIZCTEOSA-N	406.523	3.541	10	20	HHCD	
O=C1OC(c2c(F)cccc2Cl)=N/C1=C\c1ccc(N2CCOCC2)c(F)c1	730466697	PUKWOEZQKCOBCW-WJDWOHSUSA-N	404.800	3.799	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)c(C)n1-c1ccccc1Br	730774255	TZYZDFVDDYHUIY-HNNXBMFYSA-N	402.336	3.823	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H](O)COCc1ccco1	731107015	MWZSEOUWWKGBKJ-IBGZPJMESA-N	416.518	3.635	10	20	HHCD	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	732202080	HAKRDDGWERFSCB-LPHOPBHVSA-N	418.484	3.871	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@H](N2CCCC2=O)C1	732488595	VDDCRPCOBMMJAT-FQEVSTJZSA-N	419.485	3.654	10	20	HHCD	
Cc1cc(C(=O)Nc2cccn(C)c2=O)c(C)n1-c1ccccc1Br	733960539	XCUBLOZOTUMBMO-UHFFFAOYSA-N	400.276	3.808	10	20	HHCD	
O=C1CCSc2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2N1	735518341	IWCWZONMTPBYSA-KRWDZBQOSA-N	412.511	3.648	10	20	HHCD	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	736322293	LDWIUVFMRNEINP-JKSUJKDBSA-N	400.504	3.548	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccccc2Oc2ccc(C)cc2)c1O	737285644	KUOVPEPXCUXLHL-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
Cc1cc(-c2cccc(F)c2)nnc1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	742396231	NVSZDKRQLKLUNW-IBGZPJMESA-N	419.504	3.905	10	20	HHCD	
COc1ccccc1[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nccn1C	745401236	RCBROHAWAPVTJV-JOCHJYFZSA-N	420.513	3.602	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(Br)s1	748686176	QJTQCVUPVGGLML-UHFFFAOYSA-N	402.320	3.830	10	20	HHCD	
C[C@H](SCc1ccccc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	748882926	FUJVVYXQHLTROZ-KRWDZBQOSA-N	400.544	3.576	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1cccc(F)n1	749111368	MVLJEXCXSXAZPZ-GXDHUFHOSA-N	421.544	3.580	10	20	HHCD	
CCN1CCN(CCCCNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1	749388868	BHAAGKSGLLHOLP-UHFFFAOYSA-N	410.606	3.858	10	20	HHCD	
COCCc1noc(-c2cc(Cl)ccc2NC(=O)N(C)Cc2ccccc2O)n1	753556496	LBQBJCSOWUSHTA-UHFFFAOYSA-N	416.865	3.948	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H]2CSCCS2)cc1	756052825	KFTMLRJAUDKJFB-LJQANCHMSA-N	405.589	3.906	10	20	HHCD	
Fc1ccc(CN(Cc2ccc(N3CCOCC3)c(F)c2)C2CCOCC2)cc1	756140857	ZKVSGGJTBKGBCW-UHFFFAOYSA-N	402.485	3.983	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	756424730	VAPJLZKHUQKLPM-OAGGEKHMSA-N	416.493	3.782	10	20	HHCD	
CC(=O)N1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c2ccccc21	757790904	MAWRMSXBKAAGSP-JOCHJYFZSA-N	406.530	3.925	10	20	HHCD	
CC[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1	759266405	IYZQKVMEWREKLM-IAGOWNOFSA-N	405.539	3.513	10	20	HHCD	
C[C@H](NC(=O)NC1CCC(O)(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	760668177	GPORXQBWLJMQIL-YFLGLAMVSA-N	423.557	3.714	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC3CCC(O)(c4ccccc4)CC3)CC2)cc1	761035195	RVWBWWNSMLWSNB-UHFFFAOYSA-N	423.557	3.747	10	20	HHCD	
CN(C)c1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	764727293	KOBDAAZDWCUUPD-AWEZNQCLSA-N	405.449	3.540	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(C(F)F)CC1	767050560	BDOSLNCLBDJXIP-AWEZNQCLSA-N	403.420	3.944	10	20	HHCD	
Fc1cc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)ccc1N1CCOCC1	769545250	NEULKMMWYPWMBW-NRFANRHFSA-N	422.447	3.837	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	769562557	FREAVQZNKCUCDE-UZUQRXQVSA-N	420.553	3.887	10	20	HHCD	
C[C@H](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(N(C)C)cc1	775833579	DXMQSXGARHSQIS-PGRDOPGGSA-N	423.557	3.928	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)c1ccc(N(C)C)cc1	776244154	FJMZYEXXKJJQBO-HNAYVOBHSA-N	413.497	3.558	10	20	HHCD	
COc1cc(Br)cc(CNC[C@H]2COC3(CCCCCC3)O2)c1O	776959193	INXKENVIXGLDSO-HNNXBMFYSA-N	400.313	3.719	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2cc(COC(C)(C)C)on2)C2CC2)cc1	777268913	FSLCSQPETKXJAM-UHFFFAOYSA-N	400.523	3.930	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1cccc(C(F)(F)F)c1	777826700	QXVDZROKPVOPIU-UHFFFAOYSA-N	415.795	3.809	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H](C)c1ccccc1OC	777827098	WMVRFTNSALVLCD-CQSZACIVSA-N	405.878	3.750	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(OCC(F)(F)F)nc1	778078878	XKZVAFLDODDWJU-UHFFFAOYSA-N	405.379	3.540	10	20	HHCD	
CC[C@@H](C)n1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1C	778390962	RJVFWEQAMBBAHF-RDTXWAMCSA-N	404.942	3.916	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C(=O)NCc2ccccc2F)cc1	779502974	YQVNDBNRHGFUCM-WUXMJOGZSA-N	406.413	3.819	10	20	HHCD	
C[C@@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(Br)ccc1O	783646742	CWLGTDFVGVJHBU-BEFAXECRSA-N	405.336	3.879	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc(S(C)(=O)=O)cc1	784672363	QWKWEVZUGIDIHB-CYBMUJFWSA-N	416.524	3.638	10	20	HHCD	
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788827856	POEIEZJJCCEUIO-HXUWFJFHSA-N	409.530	3.634	10	20	HHCD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	789371088	KAOARKQSSDBZIP-UHFFFAOYSA-N	421.501	3.579	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1csc(NC2CC2)n1	791247070	UOBQIFNDFFXWLO-UHFFFAOYSA-N	416.547	3.720	10	20	HHCD	
C[C@H]([C@@H]1OCCc2sccc21)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	794129206	XXXVSWVXSHBORR-ZMZPIMSZSA-N	406.891	3.574	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)c(O)c1	797629458	GMYHWNSGEQTMIA-UHFFFAOYSA-N	400.475	3.836	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)nc1-c1ccccc1	799636386	OFRMIYIBTWEEAA-UHFFFAOYSA-N	401.513	3.621	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1	802610329	UOWAXKPFHRVKIK-UHFFFAOYSA-N	424.476	3.793	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(C(F)F)cc1	807173878	FAPTVGROUNULFW-UHFFFAOYSA-N	403.473	3.744	10	20	HHCD	
Cc1cc(C)cc(CCNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	807428637	GRXDAOVUKWKSEJ-UHFFFAOYSA-N	407.558	3.611	10	20	HHCD	
COC[C@]1(CN[C@H](C)c2ccc(Br)cc2O)OCCc2ccccc21	810241741	DIQYAJKNVVRAOW-VLIAUNLRSA-N	406.320	3.920	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@H](n2cccn2)C1	812780462	FKPFUFGHTNAZHC-LBPRGKRZSA-N	401.102	3.561	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1	813238660	DTHFYTHQGBBKJD-SFHVURJKSA-N	423.561	3.965	10	20	HHCD	
CO[C@](C)(CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1CC1	813313005	MFZCTKGHFUXNNB-ILCZHQDMSA-N	424.613	3.661	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](c3ccc(F)cc3)c3nc[nH]n3)cc2F)C[C@@H](C)O1	815561581	JTZYJXCQDZCHNS-ZSDSOXJFSA-N	413.472	3.576	10	20	HHCD	
Cc1ccc(C)c(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1	914703761	LGBVHYZGBBCJFM-UHFFFAOYSA-N	403.451	3.910	10	20	HHCD	
Cc1cc(C)c(O)c(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1	915795817	QDKDORZCUWCGLV-UHFFFAOYSA-N	410.539	3.669	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)C2CC2)cc1	918059697	HOEQYJKNYCYCGK-XMMPIXPASA-N	422.573	3.500	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-n3cccn3)c(F)c2)cc1	1318305154	WUHGZTJLXOJFQX-OAQYLSRUSA-N	422.504	3.899	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	1320520293	UUQXTVRKLNAXNH-WBMJQRKESA-N	423.918	3.522	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3OC)CC2)cc1	57548054	KMYNZQFVWHVRIU-OAHLLOKOSA-N	403.910	3.506	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nc(-c2ccccn2)nc2c1CCC2	301325042	YDQBKECWRMKBMB-UHFFFAOYSA-N	401.514	3.500	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)cn1	198436731	AAACVLHNEFHVFI-NTUHNPAUSA-N	423.313	3.964	10	20	HHCD	
CC(C)c1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccn1	145670061	FGRPPPFRKZPULG-SFHVURJKSA-N	419.529	3.718	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NCc3ccc(N4CCOCC4)c(F)c3)n2)c1	237575905	FVHHQRMNULNQFI-OAHLLOKOSA-N	412.465	3.572	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@@H]3CN(C(C)C)CCO3)no2)C1	569271702	BBOXFABZERVLBN-QFIPXVFZSA-N	423.561	3.621	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3cc(Cl)cc(C)c3O)C2=O)c1	808706558	MUNXPFCXAOMLCK-BFUOFWGJSA-N	404.894	3.827	10	20	HHCD	
O=C(N[C@H]1CCOC2(CCCC2)C1)C(=O)N(Cc1ccccc1O)C1CCCCC1	808110386	LBSJKWIUSMHJDW-IBGZPJMESA-N	414.546	3.662	10	20	HHCD	
C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1Cc1ccccc1	806438511	GYMQKNQDBGXLCP-AUSIDOKSSA-N	424.614	3.702	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3ccc4[nH]c(C)cc4c3)cc2F)CC1	806750745	XRQQQTOHIWQRLP-UHFFFAOYSA-N	423.536	3.757	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(CCC(F)(F)F)Cc1ccccc1)c1ccc(N(C)C)cc1	807672246	ANKRFMCVQAXTKU-MRXNPFEDSA-N	421.463	3.911	10	20	HHCD	
C[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)OCO2	815835012	IBMUIMBUVXXNAC-KDOFPFPSSA-N	416.905	3.659	10	20	HHCD	
CON(Cc1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	812007045	JJNQIDVSSAJTKY-UHFFFAOYSA-N	407.873	3.589	10	20	HHCD	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N(Cc1ccco1)Cc1ccccc1O	815796664	GPEYTFJVTHMYLG-RUYXUALKSA-N	412.486	3.627	10	20	HHCD	
CCNC(=O)NC1CCC(OC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1	728769413	IDAPOPBZVXXWRO-UHFFFAOYSA-N	415.534	3.692	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(-c4cccc(C)c4)c3C)CC2)cc1	726562824	QXVASINFUSRHCF-UHFFFAOYSA-N	404.514	3.897	10	20	HHCD	
COc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1[N+](=O)[O-]	726567656	RMNPFNQFHGQJIA-UHFFFAOYSA-N	421.400	3.604	10	20	HHCD	
Cc1ncc(CN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	726722884	WTIORSNVYCHGPM-UHFFFAOYSA-N	410.490	3.863	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1c(OC)cc(OC)cc1OC	731119491	SXVKNJIBGITARD-UHFFFAOYSA-N	415.534	3.553	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1	730120082	ZOYOAFCGYKRRHW-LJQANCHMSA-N	418.582	3.979	10	20	HHCD	
O=C(CCc1nc(-c2ccsc2)no1)N(Cc1ccccc1O)C[C@H]1CCCO1	731856847	UAXKSFSOINCFOX-QGZVFWFLSA-N	413.499	3.644	10	20	HHCD	
CCCCN1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	731221124	CBAMBCSERVYBPB-UGKGYDQZSA-N	402.583	3.538	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2C)c1	734073277	JKFAPTWYNOHHMJ-UHFFFAOYSA-N	402.516	3.855	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3ccccc3F)cc2F)CC1	737556143	ZRJTYCCHYFLQPE-KRWDZBQOSA-N	401.501	3.602	10	20	HHCD	
CN(C)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl	738935780	WBIGKZKCQNTEKI-UHFFFAOYSA-N	420.916	3.828	10	20	HHCD	
O=C(COc1c(Cl)cccc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1	919968650	MRJLBBIVBUEPSL-UHFFFAOYSA-N	423.340	3.897	10	20	HHCD	
O=C1CCc2cc(F)c(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2N1	916681027	VRMWFGAPQXSTOI-MRXNPFEDSA-N	413.449	3.629	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc(C(C)(C)C)no1	745916782	BPANFESZPQHPQM-HOCLYGCPSA-N	402.495	3.525	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1F	746979328	IODXYTODFCQJEM-IBGZPJMESA-N	415.900	3.867	10	20	HHCD	
COCCOC(=O)Nc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1	743124754	YWRIAFZNTHLSRN-UHFFFAOYSA-N	413.474	3.788	10	20	HHCD	
Cc1nc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cs1	918624898	DXKSJTHJCVDMSJ-RIYZIHGNSA-N	423.610	3.811	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	742496775	CIWKSAHYKCFOJY-UHFFFAOYSA-N	423.391	3.722	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCSCc1ccccc1F	914534322	DGAXRAPKMHWYLL-UHFFFAOYSA-N	417.550	3.737	10	20	HHCD	
C[C@H](C1CC1)N(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CC1	914841004	BGEVYUBJEDFEIP-GFCCVEGCSA-N	404.422	3.773	10	20	HHCD	
CCS(=O)(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	918030615	PYPPOWCUWAXAHY-UHFFFAOYSA-N	401.532	3.743	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CSCc1cccc(Cl)c1	749087516	LUDOJKQMGXJZLX-UHFFFAOYSA-N	420.962	3.841	10	20	HHCD	
CN(Cc1cnn(C)c1)C(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F	748033715	OCCCXQONJFMDMQ-UHFFFAOYSA-N	423.464	3.597	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)N1CCc2sccc2C1	917646821	AETQWFJAMFFFCQ-UHFFFAOYSA-N	413.587	3.916	10	20	HHCD	
CCCCN1CCC(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745793380	WBRLJOLDMALDTH-SFHVURJKSA-N	424.536	3.821	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cccnc2Cl)NC(=O)OC(C)(C)C)cc1	742752269	FQNNEPPTVYDOHS-QGZVFWFLSA-N	418.925	3.797	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(OC(F)F)cc1	743472907	SBFYPKFHOWEEIL-CRAIPNDOSA-N	403.473	3.841	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1	920251779	RUADOMVHYKTZNC-MDZDMXLPSA-N	413.905	3.501	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccncc3)cc2F)C[C@@H](C)O1	744280245	HQPDFRLMLZJMGF-IXDOHACOSA-N	400.498	3.737	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1cccc(F)c1)c1cc(Br)c(F)cc1O	756708910	SZCCRXORZIMCJB-LLVKDONJSA-N	413.262	3.904	10	20	HHCD	
Cc1ccc([C@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	754660199	RPUQBBLUMRIIFU-ZOBUZTSGSA-N	419.566	3.776	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(C)nn(Cc4ccccc4)c3C)CC2)cc1F	753740031	YTLWMBQVJMSNGH-UHFFFAOYSA-N	422.504	3.658	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1c(C)noc1C	757010091	HYGOYAUPSDYWQJ-BIENJYKASA-N	418.513	3.995	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2cc3ccccc3nc2O)cc1	751406705	RGKNYHJYAJPXSJ-JOCHJYFZSA-N	419.525	3.757	10	20	HHCD	
CCc1ccc(O)c(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	751070026	VXMTXLMKHVJADY-UHFFFAOYSA-N	418.496	3.775	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	756526961	PMUYMKFDEMCGSI-ZOBUZTSGSA-N	406.523	3.865	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(Br)cn(C)c2=O)cc1	751347802	ZPKXGIAJUYURMC-UHFFFAOYSA-N	400.276	3.808	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1	753640241	MGUGPBRVCCTYNU-AWEZNQCLSA-N	420.494	3.768	10	20	HHCD	
C[C@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1ccc(Br)cc1O	756433676	FZHBCXBPUIMJGA-INIZCTEOSA-N	418.379	3.753	10	20	HHCD	
O=C1Nc2ccccc2C12CCC(NCc1ccc(N3CCC(O)CC3)c(F)c1)CC2	765287827	UOBSFALARYLVDW-UHFFFAOYSA-N	423.532	3.709	10	20	HHCD	
COc1cc(N2CCN(Cc3cc4cccc(OC)c4o3)CC2)cc(OC)c1OC	761218462	DNNOLKHMGYIQDU-UHFFFAOYSA-N	412.486	3.789	10	20	HHCD	
CC(C)(C)OC(=O)C1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1	761580055	SBQPONAARACVLI-UHFFFAOYSA-N	422.909	3.710	10	20	HHCD	
C[C@H](Cc1ccsc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765279541	HMYZAZPRYXFTOI-QGZVFWFLSA-N	411.550	3.725	10	20	HHCD	
O=[N+]([O-])c1ccc(O)c(CNC2CCN(Cc3ccc(Br)cc3)CC2)c1	761993535	UFNOYRNCGYMBQM-UHFFFAOYSA-N	420.307	3.817	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	764144682	ZBFNNKWNTYRHJY-NRFANRHFSA-N	417.912	3.553	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(N2CCOC2=O)cc1	765287811	UFRIXCOCDKQART-SFHVURJKSA-N	409.530	3.703	10	20	HHCD	
O=C(c1cccc(NCc2c(O)cccc2Br)c1)N1CCC(CO)CC1	864029083	XOMJXUBNFYFHIG-UHFFFAOYSA-N	419.319	3.611	10	20	HHCD	
CN(C)c1nnc(-c2ccc(NC(=O)NCc3ccc4c(c3)CCCN4C)cc2)o1	767886518	IAAWIEMJHLPJID-UHFFFAOYSA-N	406.490	3.507	10	20	HHCD	
Cc1ccc2cccnc2c1S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	778003338	JOLZGMWPMFAKCL-LJQANCHMSA-N	412.511	3.619	10	20	HHCD	
CCc1c(C(=O)NCCCSc2nccs2)cnn1-c1ccc(OC)cc1	771342849	RHIVYESWTYDJCX-UHFFFAOYSA-N	402.545	3.812	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c(F)c(F)cc(F)c1F	771056616	FLSILRNBALACRS-LBPRGKRZSA-N	416.802	3.996	10	20	HHCD	
CC(C)[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc21	774763469	NJYWVRVBDRXJOO-DENIHFKCSA-N	420.557	3.858	10	20	HHCD	
Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)NCc2ccc(N(C)C)cc2)cc1	875515072	MUPPNJMCAHYXPS-JOCHJYFZSA-N	410.562	3.591	10	20	HHCD	
C[C@H](NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc(N(C)C)cc1	773628745	QTTCBXUIWDTZGO-INIZCTEOSA-N	412.509	3.557	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cc(COC(C)(C)C)on2)cc1F	776877829	SKZBICFTCZAZPD-UHFFFAOYSA-N	406.502	3.974	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775831400	RNZZBVBIHSEVSH-SFHVURJKSA-N	419.573	3.581	10	20	HHCD	
CCCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2Cl)CC1	779500820	SEPJPTNIEQJMBM-XBXARRHUSA-N	415.921	3.935	10	20	HHCD	
C[C@H](NC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	776236872	BPLWBOQYUKHUOI-INIZCTEOSA-N	404.555	3.855	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1	771657877	PVXATYJRTZNBFN-MRXNPFEDSA-N	402.970	3.503	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1C(=O)OC(C)(C)C	772476337	DTIJBHQEFXPGJD-NVXWUHKLSA-N	417.550	3.858	10	20	HHCD	
COc1cc([C@@H](NC(=O)NCc2ccccc2O)C(F)(F)F)cc(OC)c1OC	775998661	FUHBRHLVXHQTEX-QGZVFWFLSA-N	414.380	3.521	10	20	HHCD	
CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C	785615015	CKCYHPSBOPSIGQ-GOSISDBHSA-N	415.921	3.707	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)C2CCCCC2)cc1	784059561	NNXNAIZQOCWFNB-UHFFFAOYSA-N	424.476	3.597	10	20	HHCD	
Cn1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(-c2ccccc2)n1	782751236	SQZPUZXUSDUHRZ-OAQYLSRUSA-N	420.513	3.684	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccnc2Br)cc1	784107713	AIVSMKKYYFOWPB-UHFFFAOYSA-N	417.307	3.588	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(Cl)c1	782109359	CLSWIUCDVQJAOH-UHFFFAOYSA-N	416.905	3.967	10	20	HHCD	
C[C@@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1O	788802611	PRZJXWZLKKQGDI-GFCCVEGCSA-N	420.428	3.521	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(OCC=C(C)C)c3)c2)CC1	781045574	KSTFQWNRAJFMCV-UHFFFAOYSA-N	407.514	3.952	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1	787495335	VBTCLKUKCOCZFK-UHFFFAOYSA-N	422.460	3.642	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)NCCCSc2nccs2)C1	782980634	ZZMIGRZUPIDKOT-ZIAGYGMSSA-N	414.597	3.760	10	20	HHCD	
Cn1nc(C(F)(F)F)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1Cl	782150939	YLUKWPDPBIDZCI-CYBMUJFWSA-N	403.832	3.979	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc(F)cc1I	1329520282	UYIQSBFWQJQBLN-UHFFFAOYSA-N	417.565	3.872	10	20	HHCD	
Cc1nnc(O)c(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1C	1321384774	WHKLZUCVEWOIPZ-ZDUSSCGKSA-N	417.941	3.688	10	20	HHCD	
CCOc1c(Cl)cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC	8028416	LLUTTYMFSMAKHN-UHFFFAOYSA-N	404.894	3.718	10	20	HHCD	
Cc1cccc(N2CCN(C(=O)CSc3ncc(-c4ccccc4)n3C)CC2)c1	10197387	YWCPSQLTKHMZRD-UHFFFAOYSA-N	406.555	3.836	10	20	HHCD	
CCCOc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OCC	248008670	BFFZUAOTLKDKQQ-UHFFFAOYSA-N	412.530	3.983	10	20	HHCD	
COc1ccc(N2CCN(c3ncc(Br)cc3Cl)CC2)cc1F	302703353	BPTKGXDDPIFVCV-UHFFFAOYSA-N	400.679	3.972	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C3(c4ccccc4Cl)CCOCC3)CC2)cc1	303323161	ROLKRNREPUJWJW-UHFFFAOYSA-N	414.933	3.746	10	20	HHCD	
Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1	439856225	JFQPMJZWKKMLFE-UHFFFAOYSA-N	402.479	3.649	10	20	HHCD	
CCN(CC)C(=O)c1ccc(C(=O)Nc2c(C3=S=CC=C3)nc3ccccn23)cc1	511881111	YNEINZJVDJJZIT-UHFFFAOYSA-N	418.522	3.694	10	20	HHCD	
Cc1cc(C)n2c(=S)n(CN(Cc3ccc(N(C)C)cc3)CC(F)(F)F)nc2n1	728904744	RRYWKXPXTQQHHM-UHFFFAOYSA-N	424.496	3.965	10	20	HHCD	
CO[C@](C)(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1	730174417	OWLWBEYUVMIAAS-NRFANRHFSA-N	422.447	3.720	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccc(Br)cc2F)c1	731046390	SXZYMYCVYDWAHV-NSHDSACASA-N	411.271	3.905	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccccc2OCc2noc(C)n2)cc1F	731346141	AXAFLWLJBIBRJA-UHFFFAOYSA-N	412.465	3.872	10	20	HHCD	
CCN(CC)c1ccc(CNc2ncccc2S(=O)(=O)N2CCCCC2)cc1F	731352480	ZPYIOTTXBPLBGW-UHFFFAOYSA-N	420.554	3.854	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ncoc3-c3ccccc3)cc2F)CC1	732540233	FDGGCINDHXUISN-UHFFFAOYSA-N	408.477	3.553	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1	734319739	MMUMGMFWASCFBC-UPVQGACJSA-N	423.557	3.767	10	20	HHCD	
O=C1NCCc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)cc21	734975421	DQKKHWACZMZOSV-UHFFFAOYSA-N	419.915	3.550	10	20	HHCD	
Cc1ccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1	738501495	WVGLAGYJXAMOSA-MRXNPFEDSA-N	401.576	3.696	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCn4c(nnc4C(F)(F)F)C3)c2C)cc1	739936940	RTHUNTNZUAFAQV-UHFFFAOYSA-N	417.435	3.711	10	20	HHCD	
CCc1c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)nnn1-c1ccc(OC(C)C)cc1	741283942	YMICSFCSUZUIMV-HNNXBMFYSA-N	424.501	3.822	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C2CC2)cc1	742045095	XUBHORBMDHCNRC-UHFFFAOYSA-N	412.921	3.740	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1	742475929	GNLCTUSSNLPCSP-UHFFFAOYSA-N	421.570	3.975	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1	742494976	HAPRGRFBCKRWLK-QGZVFWFLSA-N	409.559	3.632	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(NC(=O)C(C)(C)C)n1	742589804	KXMPNVVBSPVMOA-UHFFFAOYSA-N	402.564	3.785	10	20	HHCD	
CCN(CC(=O)N1CCCc2ccccc21)Cc1cc(Br)ccc1O	743871161	UHXHJCSYXZNQAR-UHFFFAOYSA-N	403.320	3.956	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O	744131089	VBUMXQJSBJRNCJ-DEOSSOPVSA-N	424.520	3.673	10	20	HHCD	
C[C@H](NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1	746168785	QIWHMDKGHGGBCS-KKSFZXQISA-N	421.463	3.594	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)COc2cccc(F)c2)c(C)n1-c1ccc(F)cc1	747210919	PXXKZMLWRHZRFH-LJQANCHMSA-N	400.425	3.542	10	20	HHCD	
COc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1	748009165	COBHSRAJUYBOFH-UHFFFAOYSA-N	404.469	3.515	10	20	HHCD	
Cc1cc(C(=O)N2CCC(N3CCCNC3=O)CC2)c(C)n1-c1ccc(Cl)cc1	748922800	VVOXCSSAEPAZGI-UHFFFAOYSA-N	414.937	3.767	10	20	HHCD	
Cc1cnc([C@H](C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	750275909	HGAPGGGLVOWYKA-NFAWXSAZSA-N	406.527	3.765	10	20	HHCD	
Cc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1	752298837	QKHRMFLGVALXEB-MRXNPFEDSA-N	413.477	3.624	10	20	HHCD	
CC(C)Cc1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)cc1	755034308	PTYASEJTCFLVJO-CYVLTUHYSA-N	404.601	3.809	10	20	HHCD	
Cc1ccc([C@H](CN[C@@H](C)c2cc(Br)ccc2O)N2CCOCC2)o1	756363399	GFLVUEUWPMHAHR-YOEHRIQHSA-N	409.324	3.780	10	20	HHCD	
CC(C)[C@H](CN[C@H](C)c1cc(Br)cc(Cl)c1O)N1CCN(C)CC1	756399486	QATAHWCHLYNULH-DYVFJYSZSA-N	418.807	3.731	10	20	HHCD	
CC[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccn(C)n1	756875217	UKLHTJIWBZNHOO-UYAOXDASSA-N	401.555	3.793	10	20	HHCD	
Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	760892763	XZGNZXNQIZWWBZ-UHFFFAOYSA-N	414.509	3.694	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(C)c(Cl)c(C(=O)O)c1	761242523	WZWYAUPOJDHHPW-UHFFFAOYSA-N	410.923	3.623	10	20	HHCD	
C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2cc3c(cc2O)OCO3)c1	763496661	QFMLRWZWEKFFJX-AWEZNQCLSA-N	415.465	3.685	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@](=O)C[C@H](C)C2)c(C)n1-c1ccc(F)c(Cl)c1	763859623	XTXHPQFPOJGIRZ-QWVSSGJLSA-N	410.942	3.770	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@H](C(N)=O)c2cccc(Br)c2)cc1	764140162	AZZQLKLJEJXCJW-IBGZPJMESA-N	404.352	3.954	10	20	HHCD	
O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1cccc(Br)c1O	764934859	OTTPXKGNHNPSGU-UHFFFAOYSA-N	408.208	3.632	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1coc(C2CCOCC2)n1	767832597	FHXJXFCIVVPRTP-UHFFFAOYSA-N	421.444	3.569	10	20	HHCD	
Cn1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(C(C)(C)C)n1	769551544	NFYYRXMQPJNLAR-ZROIWOOFSA-N	401.513	3.822	10	20	HHCD	
O=C(Cc1ccc(NCc2cc(Br)ccc2O)cc1)N1CCSCC1	770419725	BWTYVSCSGJWXBS-UHFFFAOYSA-N	421.360	3.885	10	20	HHCD	
C[C@H]1C[C@H](CCNCc2ccc(N3CCN(C)CC3)cc2)CN1Cc1ccccc1	771857838	DKEKRRXLXUDRFI-DHLKQENFSA-N	406.618	3.829	10	20	HHCD	
O=C(Cc1ccnc(O)c1Br)N(Cc1ccco1)Cc1ccccc1O	772380673	ZTHFESVYVZURFH-UHFFFAOYSA-N	417.259	3.620	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1Cl	772982544	WTJNWSNWKAKIEC-FOIQADDNSA-N	417.912	3.772	10	20	HHCD	
Cn1cc([C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(F)cc2)cn1	773229827	KRKUACWZBJYGEI-JOCHJYFZSA-N	407.493	3.748	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1	775234754	KLGAGEATXTYQHZ-SFHVURJKSA-N	410.474	3.620	10	20	HHCD	
C[C@H](NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1)c1ccc(N(C)C)cc1	776268200	BNWXUACVXVSLDW-HNNXBMFYSA-N	415.497	3.898	10	20	HHCD	
Fc1cccc(Cc2nnc(NCc3ccc(N4CCOCC4)c(F)c3)s2)c1	777518383	MQPFXFJQWCWVDH-UHFFFAOYSA-N	402.470	3.856	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C(/C)c1ccccc1OC	777829495	YQUCFJTZTRLFRI-UVTDQMKNSA-N	403.862	3.659	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCC[C@H]1CCCCO1	780314840	LBKWGWDPWGKQST-UMWKZLPKSA-N	424.613	3.805	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1	782724365	BYCVHBQNVAJVHH-UHFFFAOYSA-N	416.421	3.706	10	20	HHCD	
COc1ccc([C@H](CCn2cncn2)NCc2ccc(N3CCSCC3)cc2)cc1	783224186	OXEMYNANEZWNKN-QHCPKHFHSA-N	423.586	3.761	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(N2CCCC2)c1	783316955	QZAHGUQLMHBRMW-UHFFFAOYSA-N	408.546	3.729	10	20	HHCD	
CC[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1cc(Br)ccc1O	786960839	XEJWPLJRXLUMJP-CYBMUJFWSA-N	404.351	3.861	10	20	HHCD	
O=C(Nc1ccc(C2CCC2)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	787457023	VCVLWMFBEJPAJM-NRFANRHFSA-N	408.498	3.806	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CCCc3occc32)cc1	788629348	ANHWBPBMKVOTMY-NRFANRHFSA-N	421.497	3.661	10	20	HHCD	
CC[C@H]1CCCC[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	789984104	OWEPFEKZMDBPET-SIKLNZKXSA-N	411.546	3.959	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3cccc(C(F)F)c3)cc2F)CC1	790555467	UYSRNQVWYPUAKB-UHFFFAOYSA-N	405.464	3.764	10	20	HHCD	
OC[C@H](NCc1cc(Br)ccc1O)c1ccccc1OC(F)(F)F	793349177	QZBDYQNACGAWHM-ZDUSSCGKSA-N	406.198	3.877	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c(O)c1	797389111	PUUXFOAYSLKQRC-UHFFFAOYSA-N	418.877	3.631	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCNC(=O)c1ccccc1Cl	801974326	REMUYISLIPDIPR-UHFFFAOYSA-N	403.910	3.787	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]c2nccc(Cl)c12	805134782	JDDQNJDRWNJZEW-UHFFFAOYSA-N	406.678	3.707	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NC2CCC(C)(C)CC2)cc1	806629041	IFEGLBNBKUIMRF-UHFFFAOYSA-N	411.546	3.959	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1F	806634009	HABQXAVWMCLCRF-XMMPIXPASA-N	410.537	3.699	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CCCCC2(C)C)cc1	806874117	NZPRZGFGTMDUBO-OAQYLSRUSA-N	411.546	3.959	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@@H](c3ccccc3)N(C)C)CC2)cc1	807402988	RAOGVLXXMZJZQD-CVDCTZTESA-N	410.562	3.608	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(N2CCOCC2)cc1	809913083	UYEKNIWKFRBDMA-CYBMUJFWSA-N	404.854	3.968	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCC3(SC)CCN(C)CC3)c2C)cc1	811933460	QEAOAUQSOKPWJW-UHFFFAOYSA-N	401.576	3.660	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(N2CCCCC2=O)cc1	811975997	BYYBPDRXKBPXBH-MRXNPFEDSA-N	412.509	3.969	10	20	HHCD	
COc1cccc(C2(CNC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)CC2)c1	812475814	BWZDHJRMNOABCB-NRFANRHFSA-N	410.514	3.823	10	20	HHCD	
CN(C)CCCNC(=O)CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814772333	TWXNKIGUYHRIJF-MHWRWJLKSA-N	419.597	3.673	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc2c(c1)CCO2	916631609	KHIALOSOOKYJOI-UHFFFAOYSA-N	421.419	3.799	10	20	HHCD	
CC(C)N(CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccc(N(C)C)cc1	917075094	PVUFSZHQUPYEOZ-UHFFFAOYSA-N	411.575	3.908	10	20	HHCD	
COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c2cccnc12	917657840	ABTHWOHYDWIIFF-UHFFFAOYSA-N	413.543	3.909	10	20	HHCD	
COCc1cccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	918212740	XINNBOIEQPDOKC-IAGOWNOFSA-N	415.509	3.585	10	20	HHCD	
CC1CCC(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1	920009100	CLTPTSLJKRIBFL-UHFFFAOYSA-N	406.438	3.926	10	20	HHCD	
CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	920044309	QWEXWBUGCJHDAD-IEBWSBKVSA-N	424.545	3.887	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCOC2)c(C)n1-c1ccc(OC(F)(F)F)cc1	921214980	NKXXIBLMWZDKEW-AWEZNQCLSA-N	411.376	3.755	10	20	HHCD	
CC(C)OC(=O)NCc1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1	1116316214	NETPPTUTHYWQKL-UHFFFAOYSA-N	414.525	3.824	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C	1320693168	WDRFJXUXEQOMCG-FXAWDEMLSA-N	419.905	3.781	10	20	HHCD	
C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3ccc(N4CCCC4)cc3)cc2)C1=O	1325725884	KLOWTHOBKRPISU-VWLOTQADSA-N	418.541	3.802	10	20	HHCD	
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(N(C)C)cc1	18214866	PPBSGTQBBMWSEI-LJQANCHMSA-N	419.978	3.574	10	20	HHCD	
OC[C@H]1CCCN(c2cc(N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)ncn2)C1	301229987	HEXIEMDMVQBOJU-INIZCTEOSA-N	407.493	3.599	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3nnc(C4CCOCC4)s3)ccc21	579751208	FRCWREFMOZGBQG-UHFFFAOYSA-N	414.531	3.902	10	20	HHCD	
COc1cc2[nH]c(/C(Cl)=C/c3ccc(N(C)C)c(F)c3)nc(=O)c2cc1OC	727653759	ABOCUNOZMJRXAC-QPEQYQDCSA-N	403.841	3.882	10	20	HHCD	
COc1ccccc1OCCN(C)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	728196982	VJSBFEXMIXTOCG-UHFFFAOYSA-N	407.466	3.848	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c1	729535145	LJLBIYOYWDUUNJ-JTSKRJEESA-N	418.493	3.619	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC(F)F)cc3)cc2F)CC1	730132816	GLFLWTHHKOXJSP-UHFFFAOYSA-N	422.451	3.891	10	20	HHCD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCCCSc2nccs2)cc1	733972732	UVUWCQDTDUAGHI-CQSZACIVSA-N	409.602	3.810	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c1C	733977501	MNGNOPQFMADBHX-UHFFFAOYSA-N	413.481	3.939	10	20	HHCD	
CCOCCCN1CC[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C)C1	734508717	CTEUYEAUWDHMQK-CTNGQTDRSA-N	418.582	3.812	10	20	HHCD	
CNc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc(Cl)n1	735655573	GQEPOPYMWFCQMY-SFHVURJKSA-N	402.926	3.664	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccn(-c3ccccc3N)n2)c(C)n1-c1ccccc1	735957310	WETNPPUSNKNUNN-UHFFFAOYSA-N	414.465	3.902	10	20	HHCD	
Cc1nc(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1	743546528	NQXQUQARSTXJNH-AWEZNQCLSA-N	410.490	3.564	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1F	745788457	KYICRGCXJYHLQH-KRWDZBQOSA-N	418.900	3.540	10	20	HHCD	
CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1c(O)ccc2cc(Br)ccc12	746654358	YABSYMKZYXYKKU-LKUPVBHCSA-N	419.363	3.991	10	20	HHCD	
CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	748470162	KBZGDKZTDZYRAW-NRFANRHFSA-N	423.517	3.610	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3[nH]c(-c4cccc(OC)c4)nc3C)CC2)cc1	755606444	ISFZKEUFVHIUIP-UHFFFAOYSA-N	420.513	3.755	10	20	HHCD	
C[C@H](NC(=O)Nc1cncc(Br)c1)c1ccc(N2CCOCC2)cc1	757913476	XCKXRJKQYXEHQY-ZDUSSCGKSA-N	405.296	3.563	10	20	HHCD	
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCCCSc3nccs3)c2)n1	760113628	XEEUAIREQVIYIK-UHFFFAOYSA-N	416.528	3.652	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](c1ccccc1)[C@H]1CCCO1	761116688	HGBQTOKSGAUGHE-UYAOXDASSA-N	400.862	3.730	10	20	HHCD	
C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@H](c2ccc(Cl)c(F)c2)C1=O	761160756	ROUNFNAKHITFAY-DJJJIMSYSA-N	417.868	3.670	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)C[C@@H](C)C2)c(C)n1-c1ccccc1Br	762550025	YDQRCUPRDGAIIP-CANCMXDXSA-N	423.376	3.697	10	20	HHCD	
COc1cc(Br)cc(CNC[C@](C)(O)c2cccc(Cl)c2)c1O	764984846	ZLRJNMMOFYHHKO-KRWDZBQOSA-N	400.700	3.814	10	20	HHCD	
COc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cn1cccn1	765119331	UTUJISPJUMXFGW-SFHVURJKSA-N	424.520	3.767	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(-c3ncco3)cc2)C2CC2)cc1	766579086	ZSVCSINCIFBEMR-UHFFFAOYSA-N	404.470	3.537	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCN(CC(F)F)CC1	766587323	XUNXTBPOSHMIQZ-UHFFFAOYSA-N	415.444	3.840	10	20	HHCD	
O=C1CCCCN1C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	769508662	SZKJDLWSQSJIBG-UHFFFAOYSA-N	400.523	3.562	10	20	HHCD	
C[C@H](NCc1nc(COc2ccccc2)n[nH]1)c1cc(Br)ccc1O	769989639	VXICKSYEUCFIRJ-LBPRGKRZSA-N	403.280	3.703	10	20	HHCD	
O=C(c1cccc(NCc2ccc(N3CCOCC3)cc2)c1)N1CCCC[C@H]1CCO	770525660	YEYSVOSHRWBBPP-DEOSSOPVSA-N	423.557	3.512	10	20	HHCD	
CN(C)c1ccc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1F	770577241	TZGUTNLRNACTLQ-UHFFFAOYSA-N	400.903	3.581	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(/C=C(/C)c4ccccc4)n3)CC2)cc1	771069911	ZLGOKCFQHQVHCJ-VLGSPTGOSA-N	418.497	3.530	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2cccnc2)c(C)n1-c1ccccc1Br	772735372	ZZRQVCVDCXTQCX-LJQANCHMSA-N	414.303	3.715	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1)c1ccc(N(C)C)cc1	773845341	HKTIINGKTXTKLN-QGZVFWFLSA-N	421.497	3.878	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)c(Cl)cc1O	774140716	SCLSGVKDIZEVCO-GHMZBOCLSA-N	400.258	3.518	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc2c(cc1O)CCCC2	775579989	GBELZFBQBRGJKB-OAHLLOKOSA-N	418.534	3.801	10	20	HHCD	
CC(C)(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)CS(C)(=O)=O	778556096	PSLPKBARMLYRHE-KRWDZBQOSA-N	408.589	3.892	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCn3ccnc3C2)c(C)n1-c1cccc(Br)c1	779213456	JQEMUGKBCLQWJO-INIZCTEOSA-N	413.319	3.798	10	20	HHCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	779461066	UASBTJMNOMUHCO-UHFFFAOYSA-N	409.769	3.652	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2[nH]c3c(Br)cccc3c2C1	779497036	DDGZMBSBSJKUAY-FNORWQNLSA-N	413.271	3.940	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H]3CCCN(C4CCC4)C3)CC2)cc1	781373098	ZFWKNZYYRRVXLF-RBUKOAKNSA-N	414.594	3.616	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](c3ccccc3)C3CCOCC3)cc2)C1	782759320	PWDDKBVNXYICPU-ISKFKSNPSA-N	407.558	3.646	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCSc1ccccc1	785425311	NNPXHLIWMUKIAI-UHFFFAOYSA-N	411.571	3.544	10	20	HHCD	
O=C(NCCCCc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	785663102	POFYOODHHQAEIK-UHFFFAOYSA-N	406.482	3.653	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1	787545007	USNGXELTGMFJAP-OSJHKOOESA-N	417.461	3.754	10	20	HHCD	
C[C@@]12CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@H]1C2(Cl)Cl	790674192	TYABEACCDNIZNT-SJLPKXTDSA-N	414.402	3.965	10	20	HHCD	
CC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1	795794252	FETPKHZUECUOLD-LJQANCHMSA-N	409.983	3.863	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](c3ncc[nH]3)C3CCCCC3)CC2)cc1	796675361	NJQHFQDKDSSGMX-HSZRJFAPSA-N	411.594	3.842	10	20	HHCD	
CN(C)c1ccc([C@H](CNCc2cn3ccccc3n2)NC(=O)OC(C)(C)C)cc1	798270817	VCAFXEOBSCLMKO-FQEVSTJZSA-N	409.534	3.756	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCCOC[C@@H]3CCOC3)cc2Cl)C1	799933124	FEVKYUGQFONOLH-HKUYNNGSSA-N	423.985	3.819	10	20	HHCD	
COC(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1	800050289	RQBPKKOWQDECOU-AWEZNQCLSA-N	401.894	3.688	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@H](C)NC(=O)C3CCCC3)cc2Cl)C1	800571158	GEMXGIOTDYILMA-HOTGVXAUSA-N	405.970	3.887	10	20	HHCD	
CC[C@@H](NCC1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)cc(Cl)c1O	806159031	WSMASAKSENLXLI-MRXNPFEDSA-N	409.379	3.801	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c(C)c1OC	806549402	RHUAGNRIFUZOEC-MHWRWJLKSA-N	414.508	3.517	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1C	812279625	RODUEOINAZNSMX-QGZVFWFLSA-N	421.463	3.933	10	20	HHCD	
Cc1ccc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)cc1C	812402805	WVKMFDGLEQEPLZ-LJQANCHMSA-N	422.529	3.852	10	20	HHCD	
O=C(CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1)NC[C@@H]1CCCO1	814772341	UGADDRGYGFONFK-TUTDSIAXSA-N	418.565	3.900	10	20	HHCD	
Cc1cccc([C@H](CC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)NC(N)=O)c1	914445978	LNMQBQYBOZHTHF-QHCPKHFHSA-N	418.541	3.861	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)c1	915209698	MSSLQKCRMDNTCT-JJEOQYAHSA-N	400.563	3.828	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(C/C=C/c2ccccc2)CC1	916588436	YIGUIDCTIKVYEV-RMKNXTFCSA-N	404.558	3.827	10	20	HHCD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	918028734	ABGMAROEVXZRAM-UHFFFAOYSA-N	401.532	3.661	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cnccc3N3CCN(C)CC3)c2C)cc1	919861385	ULLALBPVJYOAEC-UHFFFAOYSA-N	419.529	3.502	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O[C@H](C)C(=O)NC[C@@H]2CCCO2)c1	1322881770	ANTHMOFGORSBHA-WBVHZDCISA-N	404.894	3.588	10	20	HHCD	
CCOC(=O)c1nnc2ccccc2c1N1CCCN(c2ccc(OC)cc2)CC1	301365751	QPOCFWJIFXBMLD-UHFFFAOYSA-N	406.486	3.532	10	20	HHCD	
Cc1c(CNC(=O)NCCCCn2cc(Br)cn2)n(C)c2ccccc12	472223940	QDUUOIKHTUFFNR-UHFFFAOYSA-N	418.339	3.725	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CCCOCc2ccccc2)cc1	809809646	UQDXOVUNCVMISQ-UHFFFAOYSA-N	402.560	3.654	10	20	HHCD	
C[C@H]1C[C@H](N2CCCC2)CN1Cc1cc(Br)cc(Br)c1O	809703575	NHAGGJSSCBORSK-FZMZJTMJSA-N	418.173	3.976	10	20	HHCD	
COc1ccc([C@H](C)CCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	807413008	ZIQQMEJTAAOPFC-GOSISDBHSA-N	423.557	3.562	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCCC(=O)N2)c(C)n1-c1cccc(C(F)(F)F)c1	800243185	OENNOYLBDZSAMQ-QGZVFWFLSA-N	422.403	3.508	10	20	HHCD	
Cc1c(CNC(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)n(C)c2ccccc12	472232606	NFQURWFIRHWCDA-CQSZACIVSA-N	419.451	3.764	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@H](C)N(C)[C@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	815178559	FPOHGZMIBNQSIW-IYBDPMFKSA-N	405.489	3.903	10	20	HHCD	
COc1cc(Cl)cc(CN(Cc2cncs2)C2CCN(C(C)=O)CC2)c1O	814179511	UABQJCMPGXYISJ-UHFFFAOYSA-N	409.939	3.524	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2cccc(C3CC3)n2)cc1)C1CCCCC1	815430339	HJNQIDCWVGWJNA-UHFFFAOYSA-N	406.530	3.983	10	20	HHCD	
CCOc1ccc([C@H](O)C2CCN(Cc3cc(OC)c(OC)cc3O)CC2)cc1	812776644	NADCWEIIFUKUCK-QHCPKHFHSA-N	401.503	3.754	10	20	HHCD	
O=S(=O)(Nc1ccc(NS(=O)(=O)C2CC2)cc1)c1c(Cl)cccc1Cl	727353360	QVWWGWYZUBNSNY-UHFFFAOYSA-N	421.327	3.698	10	20	HHCD	
Cn1nccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1	727249387	XZDMEBGQKBNKQC-UHFFFAOYSA-N	408.508	3.916	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2	816856788	PBRFDPLWVXYCNP-IQIBNGDESA-N	402.491	3.549	10	20	HHCD	
CC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(C(F)(F)F)cc1O	810210443	UXDKRJFTCVCQRY-INIZCTEOSA-N	416.465	3.902	10	20	HHCD	
CC(=O)Nc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1C	726568255	ZRIPXOLBNXDUKO-UHFFFAOYSA-N	417.456	3.954	10	20	HHCD	
CCOc1ccccc1[C@@H](CC(=O)N(CC)Cc1ccc(N(C)C)cc1)NC(C)=O	728271191	VQIFHZZIWAFHLD-JOCHJYFZSA-N	411.546	3.767	10	20	HHCD	
Cc1noc(C)c1/C=C1/SC(=S)N(CCc2ccc3c(c2)OCCO3)C1=O	726802237	XUJSBFTUPLZRIN-LICLKQGHSA-N	402.497	3.507	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CCO)C(F)(F)F)c(C)n1-c1ccccc1Br	820305770	SSXAKVBRRAEATA-HNNXBMFYSA-N	419.241	3.900	10	20	HHCD	
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	734217502	YXEOAIHVQXVIIW-UXHICEINSA-N	414.594	3.902	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCOc1ccc(Br)cc1	734523242	DKYWCHNJQAYJTL-UHFFFAOYSA-N	406.324	3.702	10	20	HHCD	
CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	734228737	WQJIHPLSRYPUAF-OXQOHEQNSA-N	421.501	3.804	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1	734064532	FGEZEAYHICQILC-LJQANCHMSA-N	403.910	3.691	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1nn(-c2ccccc2)c2c1CCC2	734521551	XFCGJDZZPBGHRJ-UHFFFAOYSA-N	403.530	3.735	10	20	HHCD	
CCOC(=O)N1[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)CC[C@@H]1c1ccc(C)o1	736486339	SLMAMPGVDXNHHL-WOJBJXKFSA-N	413.518	3.941	10	20	HHCD	
COCCn1c(C)cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1C	915850896	CNAYUPGEXRIWCQ-GZTJUZNOSA-N	416.524	3.855	10	20	HHCD	
CCN(CC)C(=O)CN(C)C(=O)c1cc(C)n(-c2ccccc2Br)c1C	917939762	UPSRADBGFLALBM-UHFFFAOYSA-N	420.351	3.797	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1	918429002	GTOYTNIDRLFYSN-UHFFFAOYSA-N	412.509	3.527	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2OCC2CC2)C2CC2)cc1	741095768	QPIYUPZAGBOWMP-UHFFFAOYSA-N	407.514	3.671	10	20	HHCD	
CCN(Cc1ccc(C)cc1)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	746942206	KGQZDYKLFLCNIO-UHFFFAOYSA-N	424.589	3.747	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1N1CCCCCC1	918303612	BQIHOJCDDZBCMR-UHFFFAOYSA-N	408.546	3.730	10	20	HHCD	
O=C(NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)c1ccccc1	748963265	ZNDUZJVDIRKJDE-OAQYLSRUSA-N	420.557	3.638	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(F)cc3Cl)CC2)cc1	915305080	GOXPCJGQLXIOIX-UHFFFAOYSA-N	420.916	3.822	10	20	HHCD	
CCCCCn1nc(C)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	748954255	LMTYKCZQKPUBSZ-UHFFFAOYSA-N	417.529	3.804	10	20	HHCD	
COc1cccc(OC)c1OC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	915927066	HUQICIXIKKEZRT-UHFFFAOYSA-N	413.518	3.523	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1nc(C(F)(F)F)cs1	740906563	GIADAHAOCPVSFQ-UHFFFAOYSA-N	416.494	3.715	10	20	HHCD	
CC(C)c1ccc(OCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	919971462	ZFLVLCPVXZNKTE-UHFFFAOYSA-N	400.494	3.605	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3ncc(C(C)(C)C)o3)cc2F)C[C@@H](C)O1	746775443	YBZCIFVUZUAFGS-HUUCEWRRSA-N	418.513	3.724	10	20	HHCD	
C[C@@H]1CC[C@@H](CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)O1	743312368	PIGQTEBIEVNMHV-PBHICJAKSA-N	400.441	3.506	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)cc1	743194352	LIWITDXFDOARIP-UHFFFAOYSA-N	415.490	3.658	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1	759561274	XOJOQCIGTFJXSI-ZDUSSCGKSA-N	405.467	3.677	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccnc(OCc4ccccc4)c3)CC2)cc1F	753747597	UQLQTYMWOCNDEZ-UHFFFAOYSA-N	421.472	3.771	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)cc1	920873172	YHTIAYLXUKGARH-GOSISDBHSA-N	422.529	3.642	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1CC(C)C	755578457	CYTFBYGZCNNERP-IAGOWNOFSA-N	416.541	3.784	10	20	HHCD	
COc1cc(NCCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(OC)c1	752087183	HYTSISPDIKJYGX-UHFFFAOYSA-N	414.506	3.804	10	20	HHCD	
CC(C)CC(=O)N1CCC(N[C@H](C)c2cc(Br)cc(F)c2O)CC1	756490743	RTJPWZJBEILBCE-GFCCVEGCSA-N	401.320	3.982	10	20	HHCD	
C[C@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1cc(Br)cc(F)c1O	756417043	OBBOERBUOZDRLK-NSHDSACASA-N	401.320	3.982	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1O	756454253	BSONXYLTBILCMH-PWSUYJOCSA-N	401.246	3.698	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(Nc4ccc(C)nn4)c3)CC2)cc1F	753731478	OPKSJOQVSNNUNJ-UHFFFAOYSA-N	421.476	3.639	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccnc(Oc2ccccc2)c1	754947749	UEMGQAUOVDJEFL-UHFFFAOYSA-N	414.465	3.505	10	20	HHCD	
COC[C@@H]1CCCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	768384670	PBUBDGHPOJIODX-IAGOWNOFSA-N	411.493	3.715	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C/c2cc(F)ccc2Br)SC1=S	761176241	LZUOGADHPSJXJQ-XFFZJAGNSA-N	404.282	3.654	10	20	HHCD	
CCOc1ccc(O)c(CN2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c1	769161156	LRTKGWAYLWOKPY-OAHLLOKOSA-N	414.531	3.781	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CN(C)[C@@H]2CCSC2)cc1	766883962	NVIZVLLCNODQPK-OAQYLSRUSA-N	413.587	3.732	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccn([C@@H](C)c4ccccc4)n3)CC2)cc1F	760077626	KPLJYQKZDXLJLR-KRWDZBQOSA-N	423.492	3.994	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1F	766250275	LPEWUDWZDTVZER-LJQANCHMSA-N	423.435	3.776	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3cnn(-c4ccccc4)c3)CC2)cc1	764675502	BZKAVWJXVVJKNI-NRFANRHFSA-N	419.573	3.744	10	20	HHCD	
COCCC1(CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCCCC1	773724638	XDOISPIMCIRVNK-UHFFFAOYSA-N	407.530	3.653	10	20	HHCD	
Cc1noc(C)c1C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	771882295	OUMIOPXNALVIAG-UHFFFAOYSA-N	423.808	3.760	10	20	HHCD	
CN1C(=O)CCc2cc(CNC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc21	775307534	LYAYLDYJMRMXPI-UHFFFAOYSA-N	415.484	3.956	10	20	HHCD	
CC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1OCC(=O)N(C)C	775056820	RVFHTDNJRARYMP-LJQANCHMSA-N	418.921	3.956	10	20	HHCD	
COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1Br	773084914	UPCHNUVETQHABN-LBPRGKRZSA-N	413.337	3.563	10	20	HHCD	
COc1ccc(C)cc1CN1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	773613327	PXSOVPULZKFZPV-LJQANCHMSA-N	410.562	3.658	10	20	HHCD	
CN1CCC2(CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)C1=O	773922799	NUWWUMRTAHQASD-UHFFFAOYSA-N	405.502	3.985	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCN(Cc2ccccc2)C1	778799105	DOPXHTVJVHNSRA-WMZHIEFXSA-N	406.574	3.779	10	20	HHCD	
Cc1cc2c(N3CCC[C@H]3C(=O)NCc3ccc(N(C)C)cc3C)ncnc2s1	770552538	IWIYNHKKWDFFQQ-IBGZPJMESA-N	409.559	3.659	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2F)n1	773857326	MKQHWRUXSREKIH-INIZCTEOSA-N	423.492	3.510	10	20	HHCD	
CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775674727	FGBTXBGXDQSEPC-JKSUJKDBSA-N	418.563	3.712	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)O[C@@H]1CCc3cccnc31)c2[N+](=O)[O-]	789676193	BYOCNQSXMUHJPV-QGZVFWFLSA-N	414.373	3.610	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c2cccnc12	783316781	MPUVPVZTWRTOSD-UHFFFAOYSA-N	420.513	3.685	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1	782077633	OJVQWPKMUCUYBH-UHFFFAOYSA-N	424.545	3.500	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1	784029284	ZSVMNTWKSGHENW-UHFFFAOYSA-N	420.469	3.660	10	20	HHCD	
COc1cc(Cl)cc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1O	787437843	FCJOKLZKPLRUHE-KRWDZBQOSA-N	410.848	3.613	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1Br	788865607	YDMHFUDXIXXAPB-UHFFFAOYSA-N	411.212	3.614	10	20	HHCD	
CC(C)(C)OC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ccc1F	783541278	ZRUWIJCJXLIUEU-UHFFFAOYSA-N	405.378	3.624	10	20	HHCD	
COc1cccc(C(=O)NCC(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)c1	782774139	PFNASDWHUDPMAJ-GOSISDBHSA-N	418.493	3.921	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H]3CCC[C@@H](C)CC3)CC2)cc(OC)c1OC	785957246	KAUUEHFOIXGCGF-SJORKVTESA-N	405.539	3.513	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)c(Br)cc1F	789845424	PVTCPLNJSOZHQK-QMMMGPOBSA-N	401.207	3.891	10	20	HHCD	
CCc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CCO2)cc1	790249630	QUUGFCCCHHKAQF-YADARESESA-N	423.557	3.930	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1	1318307171	PAGXIWPCIOTWOP-UHFFFAOYSA-N	420.465	3.641	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cnn(C4CCCCC4)c3)cc2F)CC1	1318383166	OVWCCAOBDFDQGC-UHFFFAOYSA-N	413.541	3.599	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4OC)c3C)CC2)cc1	1321154171	NVLSUCOWHXDCLK-UHFFFAOYSA-N	420.513	3.550	10	20	HHCD	
COCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(OC)c(OC)c1	1322591235	ZLOCZQDPWMMKNW-KRWDZBQOSA-N	408.539	3.804	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3C[C@H]3C3CC3)C2)cc1	1841273988	RHGOXFMSHDYYTK-GOTSBHOMSA-N	417.553	3.957	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sccc1F)c1cc(O)c(O)c(Cl)c1	1793796699	AWQFVTLJVZHPBZ-ZSBIGDGJSA-N	424.881	3.517	10	20	HHCD	
C#CCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1	63454071	BFNDWYDITNEJMN-VKAVYKQESA-N	403.525	3.935	10	20	HHCD	
C[C@@H](NC(=O)NCCc1cccc2cccnc12)c1ccc(N2CCOCC2)cc1	140984348	SMYJHUMXTCXTFI-GOSISDBHSA-N	404.514	3.674	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@@H](c4ccccc4OC)C3)ccc21	505454218	UZTABKHJBBVOCC-JOCHJYFZSA-N	421.541	3.700	10	20	HHCD	
CSCCCN1C(=O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)SC1=S	727490038	DUUGWXNSKFCKQD-FOWTUZBSSA-N	412.577	3.617	10	20	HHCD	
COC(=O)CCc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1	729577848	GKOWPJCYTFETBD-UHFFFAOYSA-N	413.543	3.667	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](O)COc2c(C)cccc2C)cc1F	731403936	BLINHCHTQGRKOK-IBGZPJMESA-N	417.525	3.528	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCCC[C@H]2C2OCCO2)cc1)C1CCCCC1	732455109	GYGCXJBODYASKR-NRFANRHFSA-N	401.551	3.893	10	20	HHCD	
Cc1ccccc1[C@H](O)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	732890378	ZSVYZJKUCRRVQX-HXUWFJFHSA-N	419.472	3.598	10	20	HHCD	
C[C@@H](NC(=O)c1cc(Cl)nc(N2CCCC2)c1)c1ccc(N2CCOCC2)cc1	732936833	KYMYUIMHKXJVIA-MRXNPFEDSA-N	414.937	3.663	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(N2CCCCCC2)c1	741095160	FIMLBLPPYGBTRZ-UHFFFAOYSA-N	408.546	3.730	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c(C)n1-c1ccc(Cl)cc1	742106897	ASRKUHYDWVCQGS-SFHVURJKSA-N	401.938	3.542	10	20	HHCD	
Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)C2=O)c1	742468647	NVDCWSOILQZYSX-QHCPKHFHSA-N	405.542	3.963	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(c2ncnc3sccc23)C1	742537338	WRAFJDQOZLDCFX-GOSISDBHSA-N	421.570	3.824	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(N)=O)cc1C	743093718	CDIMUHSZYLABNY-UHFFFAOYSA-N	406.280	3.616	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1	743337108	QVNDWPKFKYKCOK-BEFAXECRSA-N	414.502	3.887	10	20	HHCD	
COc1cc(C(C)=O)ccc1OCCCC(=O)NCc1c(O)ccc2c1CCCC2	743718151	JEIPAODHIOMZAY-UHFFFAOYSA-N	411.498	3.958	10	20	HHCD	
C[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)c1cccc(F)c1	746132957	OBPGFICWOKVGRI-INIZCTEOSA-N	400.519	3.904	10	20	HHCD	
CN(C)c1nc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cs1	747772210	JMDNXOVKWCPAHJ-UHFFFAOYSA-N	408.487	3.879	10	20	HHCD	
C[C@H](NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccc(N2CCOCC2)cc1	748704176	XSPNTMOULXNEIM-KRWDZBQOSA-N	403.482	3.573	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCN(C(=O)c4ccccn4)CC3)c2C)c1	749340737	ASOBRFHRWPYGAO-UHFFFAOYSA-N	416.525	3.704	10	20	HHCD	
CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1	749354893	KTQAJRBDMPHLIZ-UHFFFAOYSA-N	422.934	3.616	10	20	HHCD	
CCCN(CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccccc1O	750875685	VGGLILFCLBZCDU-UHFFFAOYSA-N	412.349	3.841	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1	751319141	UCKHIUAJNVXPCX-MRVPVSSYSA-N	421.258	3.655	10	20	HHCD	
O=C(CN1CCC[C@H]1c1ccccn1)Nc1cccc2c1C(=O)c1ccccc1C2=O	751480261	TXQIMEWUGMMHAU-NRFANRHFSA-N	411.461	3.633	10	20	HHCD	
CSc1c(F)cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1F	752875129	YLKVIJQURYDSGV-UHFFFAOYSA-N	411.449	3.984	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@](C)(CO)C3CCCCC3)cc2F)C[C@@H](C)O1	755910850	NJQWMPGINJGNOU-MFEFFIJZSA-N	421.557	3.570	10	20	HHCD	
C[C@H](NC1CCN(C[C@@H]2CCOC2)CC1)c1cc(Br)cc(Cl)c1O	756584991	ICXBTBKGPITFTB-STQMWFEESA-N	417.775	3.960	10	20	HHCD	
Cc1ccc(OC(F)F)c(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	756933749	WAINLUHWXYTMLM-INIZCTEOSA-N	419.472	3.993	10	20	HHCD	
COc1cc(N2CCN(C(=O)Cc3ccc(C)cc3Cl)CC2)cc(OC)c1OC	759226521	XXXXNVYHSPNEAH-UHFFFAOYSA-N	418.921	3.566	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1	759364074	WMGBBKFCQLJMRH-DEOSSOPVSA-N	424.589	3.575	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2cnc3nccnc3c2)c1C	759819026	QBFNMMSJCZWJJO-UHFFFAOYSA-N	400.438	3.780	10	20	HHCD	
CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1	760305573	SOMRHCNCSZLRCB-UHFFFAOYSA-N	422.553	3.713	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CC[S@](=O)C[C@@H](C)C3)c2C)c1	763874484	AIPULABFFQZGJG-QZXCRCNTSA-N	404.601	3.699	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](O)c1ccccc1Cl	765108525	OWBCRNIRQKAFMO-SCLBCKFNSA-N	410.848	3.760	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCO[C@H](c2ccccc2)C1	765327313	UQUPEYMRCYBYPO-UPVQGACJSA-N	423.557	3.615	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N2CCOCC2)cc1	765328502	GAHREHTYDQCNIO-HOTGVXAUSA-N	424.513	3.931	10	20	HHCD	
CC(C)(C(=O)NCc1cccc(Br)c1O)c1ccc2c(c1)OCCO2	765747918	QXBVMRXOQIFEOD-UHFFFAOYSA-N	406.276	3.520	10	20	HHCD	
CN1CCN(c2ccc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)cc2)CC1	771520185	FWVWIXUHRVOEAM-HSZRJFAPSA-N	402.498	3.798	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2	773766124	GIQVRIPVEWPSNE-CQSZACIVSA-N	412.486	3.710	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc(N(C)C)cc1	773986548	CATZSDHIPNKHCE-PZJWPPBQSA-N	423.557	3.638	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1O	775031175	ZBMCBEKQADSSBV-PSLIRLAXSA-N	401.246	3.828	10	20	HHCD	
COC[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1	775442302	GFXHEYUCCPITME-HXUWFJFHSA-N	423.479	3.707	10	20	HHCD	
C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1	776238318	IWWYOJMEKSEVIA-INIZCTEOSA-N	404.505	3.865	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(N2CCOCC2)cc1	776739390	OQOBEYULSHTJSM-QVKFZJNVSA-N	417.912	3.772	10	20	HHCD	
O=S(=O)(Nc1ccc(O)cc1)c1scc(Br)c1Br	776745984	RXVBWFJVHMXOBO-UHFFFAOYSA-N	413.112	3.780	10	20	HHCD	
C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	776864366	IEPMFMXSLNNGQB-KRWDZBQOSA-N	402.583	3.900	10	20	HHCD	
C[C@H]1CN(c2ccc(CN3C(=O)[C@H]4c5ccccc5CCN4C3=O)cc2F)C[C@@H](C)O1	777606009	ZCZXCONGOKJYIT-ZMPRRUGASA-N	423.488	3.501	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2cccnc2N2CCOCC2)c1O	779003337	NLPGHHKZSGWQFF-AWEZNQCLSA-N	406.324	3.546	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1csc2ccccc12)c1ccc(N2CCOCC2)cc1	779152464	ADOWUTJXZJJHSS-HNNXBMFYSA-N	409.511	3.554	10	20	HHCD	
O=S(=O)(NCc1ccccc1O)c1ccc(Br)c(Cl)c1Cl	780786423	AWWWZOMONCXDNF-UHFFFAOYSA-N	411.104	3.940	10	20	HHCD	
Cc1nc2cc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)ccc2n1C	782895775	JKXJNAVURXKLEI-UHFFFAOYSA-N	420.513	3.887	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2	783313501	BDVRLLRGAPNSFN-UHFFFAOYSA-N	407.514	3.647	10	20	HHCD	
CC[C@@H](CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccc(C)cc1	786263286	WAJBZXMQCUHTKN-QFIPXVFZSA-N	407.558	3.864	10	20	HHCD	
C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1O	788748804	BLKNDMNTSJWQEH-KXBFYZLASA-N	422.447	3.532	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@@H]1CCCN(c2ccccc2)C1	789313899	FVLABKDVKGNKGT-HNNXBMFYSA-N	418.335	3.871	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c(O)c1O	791164400	SKXHRNRCKQYGHK-OAHLLOKOSA-N	405.292	3.885	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCCn1cc(Br)cn1	792225858	LWGSRXNNAZEYLR-UHFFFAOYSA-N	422.371	3.724	10	20	HHCD	
CC[C@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1cc(Cl)ccc1O	797999727	VHEPRAUSZPVXMB-KRWDZBQOSA-N	400.903	3.546	10	20	HHCD	
CO[C@@H](C(=O)OCC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)c1cnn(C)c1	798768562	BHMUEYGERGVCRH-JOCHJYFZSA-N	409.486	3.558	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3C(=O)NC3CC3)cc2Cl)C1	800718550	AUWNLXYUYJTLGQ-QRWLVFNGSA-N	418.969	3.529	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCNS(=O)(=O)c1cc(C)ccc1C	801548937	XMPZBUKTBBXMIU-UHFFFAOYSA-N	418.559	3.506	10	20	HHCD	
Cc1ccc(-c2ccnn2C)cc1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	804251819	ODMBKBJTVOFJRI-UHFFFAOYSA-N	410.861	3.723	10	20	HHCD	
Cc1cc(C(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)c(C)n1-c1ccc(Cl)cc1	804437947	JWWNFTQADZTRPT-YWZLYKJASA-N	401.938	3.683	10	20	HHCD	
CC1(c2ccccc2)CC(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	804971823	PHOBKABJTYTHIU-UHFFFAOYSA-N	418.493	3.751	10	20	HHCD	
Cc1ccc(C[C@@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)s1	807278845	MLRBDAZIXJFMHP-OAHLLOKOSA-N	412.511	3.631	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)ccc1C(F)(F)F	811824261	ORWLXTUDVKDOPZ-UHFFFAOYSA-N	402.423	3.672	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2noc(COC(C)C)n2)cc1	811971907	IPFTYHINJIOPMM-INIZCTEOSA-N	403.527	3.743	10	20	HHCD	
O=C(CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1)NC[C@@H]1CCCO1	814772340	UGADDRGYGFONFK-MJOIQJIUSA-N	418.565	3.900	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(NCc3ccc4ccccc4c3O)CC2)cc1	816534051	VEXGNYIQYPROQT-UHFFFAOYSA-N	410.539	3.797	10	20	HHCD	
Cc1cc(C(=O)NCc2cn(C(C)C)nn2)c(C)n1-c1cccc(Br)c1	820214226	ZFCGWQUAANPJCT-UHFFFAOYSA-N	416.323	3.959	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cc1	825491466	IEGVIKQXUCLVJG-UHFFFAOYSA-N	405.483	3.897	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CSc2nncn2-c2ccc(C)cc2)cc1	916502510	NYWZBTIGHQEORW-UHFFFAOYSA-N	409.559	3.830	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc4c(c3)CCC4)cc2F)C[C@H](C)O1	1115870832	GKAVHGFQSNNQSI-IRXDYDNUSA-N	411.521	3.927	10	20	HHCD	
O=C(COC(=O)c1cnn2ccncc12)Nc1ccc(N=Nc2ccccc2)cc1	1327504993	HINFWUKEFXRZGC-UHFFFAOYSA-N	400.398	3.940	10	20	HHCD	
CCCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2cc(Cl)ccc2c1=O	4788746	ULADDUDODZMOPW-UHFFFAOYSA-N	404.875	3.846	10	20	HHCD	
Cn1c(Cl)cnc1COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	16210345	UJYYWHIBBBKAAM-UHFFFAOYSA-N	415.232	3.859	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])cc1OC(F)F	28332001	ZECAZJSRNHMQAV-UHFFFAOYSA-N	421.400	3.735	10	20	HHCD	
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(N=Nc2ccccc2)cc1	255373499	HFUVHKIDLKVUGN-LATRNWQMSA-N	400.438	3.848	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3ccnc(OC(F)F)c3)no2)cc1)C1=S=CC=C1	410164588	ZSKIWPQREMCIOS-UHFFFAOYSA-N	414.393	3.616	10	20	HHCD	
CCCN(CC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1)Cc1ccccc1O	727830951	XYTFCHYIEOZEOU-KDURUIRLSA-N	411.546	3.857	10	20	HHCD	
C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C	728301937	PUNZFDPMAWDQME-INIZCTEOSA-N	408.502	3.955	10	20	HHCD	
C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)S(=O)(=O)c1ccc(F)cc1	729174941	RQWKHJZAWNVRDS-MRXNPFEDSA-N	418.534	3.635	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCCCc2ccccc2)cc1	729522719	ZXCNTOXWFJILOQ-UHFFFAOYSA-N	419.525	3.623	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C	731215015	FAMVMHFDMFILHM-UHFFFAOYSA-N	416.543	3.593	10	20	HHCD	
Cc1[nH]c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)c1C(=O)OC(C)C	731856709	QTDKJSVRBLQRDP-SFHVURJKSA-N	414.502	3.724	10	20	HHCD	
CCOC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	733797122	QCVABIFHPGEZHM-IRXDYDNUSA-N	420.509	3.538	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1	734018413	PZFOVUATHRZCFT-UHFFFAOYSA-N	414.465	3.638	10	20	HHCD	
CC(C)[C@@H]1CCCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	735311896	XYXCCDYKDKIRPO-OPYAIIAOSA-N	405.558	3.566	10	20	HHCD	
CN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc(N2CCOCC2)cc1	741730051	JRTAQRWIOKMTOO-UHFFFAOYSA-N	408.329	3.901	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c(Cl)c1	742654557	JPBLMPCZKNJTMM-UHFFFAOYSA-N	409.895	3.717	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@]12CCCc1ccccc12	743315396	UWFTUYIBRUCZLQ-AOYPEHQESA-N	404.554	3.806	10	20	HHCD	
CCN(c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1)C(C)C	743956847	XGVOCPZLUOZKCT-UHFFFAOYSA-N	409.530	3.761	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)CC[C@@H](C)O)sc(C)c1-c1ccccc1	744406684	MMQHAZXQUWGERR-CQSZACIVSA-N	404.532	3.541	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(N2CCCC2=O)c1	745524140	XZAJCGKMODAFHD-UHFFFAOYSA-N	408.546	4.000	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)/C=C/c1cnc(C(C)(C)C)s1	745677298	NIQQRJKFBFTBNF-VAWYXSNFSA-N	415.559	3.722	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CNc3ccccc3Cl)cc2F)C[C@@H](C)O1	745861491	JZUBJWGOFKXWRR-GASCZTMLSA-N	405.901	3.821	10	20	HHCD	
CC[C@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc3c(c2)CCCN3C)c1	746721650	GVEDBSOIERRKNK-KRWDZBQOSA-N	408.546	3.597	10	20	HHCD	
Cc1cc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)ccc1F	751061793	ZQNMEPTYUUJATE-UHFFFAOYSA-N	406.460	3.954	10	20	HHCD	
Cc1nc2ccnn2c(C)c1CCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	751307178	GNDHBBMVTIZVIU-UHFFFAOYSA-N	411.469	3.627	10	20	HHCD	
Cc1ccc(-n2cnc3c2CCN(C(=O)NCc2ccc(N4CC=CC4)cc2)C3)cc1	753530118	CXAYAZTYYBONCB-UHFFFAOYSA-N	413.525	3.825	10	20	HHCD	
CC(C)(C)O[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	753949954	ISNUQQBMWUUAEC-IRLDBZIGSA-N	423.557	3.561	10	20	HHCD	
COc1cc(CN2CCN(CCCOCC(F)(F)F)CC2)c(O)c(C(C)(C)C)c1	754729938	HCRHGCKZVCLROX-UHFFFAOYSA-N	418.500	3.785	10	20	HHCD	
Cc1ccc(-n2nc(Br)cc2C(=O)N(C)Cc2ccccc2O)cc1	755694561	MUXDIDOCNXGPNP-UHFFFAOYSA-N	400.276	3.921	10	20	HHCD	
C[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1cccc(S(=O)(=O)N(C)C)c1	756535714	OLHRKZFNZIXSDW-JKSUJKDBSA-N	402.560	3.933	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)c(F)cc1O	757657142	MEYVAYHRCPUWDA-PXAZEXFGSA-N	422.298	3.531	10	20	HHCD	
Cc1coc(-c2cccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)n1	758660796	NBKKWWOHBGCPKG-UHFFFAOYSA-N	410.449	3.947	10	20	HHCD	
CCCC[C@@H](CC)CNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759217875	YWGCXZZMWGAKCE-QGZVFWFLSA-N	407.555	3.760	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](C)[S@](=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1	759858542	QKULMLQESVUXEG-PEGYKEAPSA-N	424.513	3.721	10	20	HHCD	
CO[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1Cl	763587858	JHBNJPKAUJOVPZ-HXUWFJFHSA-N	421.900	3.503	10	20	HHCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	765475930	YANZIWVSZYJHME-KRWDZBQOSA-N	419.566	3.917	10	20	HHCD	
CCS[C@H](C)c1noc(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)n1	766917288	FWIRBJRSQXBCMW-CQSZACIVSA-N	403.552	3.608	10	20	HHCD	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	767477780	IEPRKXOLJADRBU-FQEVSTJZSA-N	419.566	3.565	10	20	HHCD	
Cc1cc(C(=O)CSc2nnc(-c3cnccn3)n2C)c(C)n1-c1cccc(F)c1	768407528	QPUNZRRAZNCMSF-UHFFFAOYSA-N	422.489	3.794	10	20	HHCD	
O=C(C[C@@H]1OCCc2ccccc21)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768916444	QNRFQVDMIWDDPA-UGKGYDQZSA-N	414.933	3.830	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(CCCCCC(C)C)n3)CC2)cc1	771069572	XDNKWTBRHKCGBY-UHFFFAOYSA-N	414.550	3.728	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@]4(C3)OCc3ccccc34)CC2)cc1	771313966	AKOUTPRRAQSKLR-XMMPIXPASA-N	407.514	3.505	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ncccc1F	771485190	JVUAQRQFHXPZKG-SDNWHVSQSA-N	421.544	3.927	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	772955977	UJDACSISLDFZBN-LJQANCHMSA-N	415.603	3.894	10	20	HHCD	
C[C@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)c1ccc(N(C)C)cc1	773024783	OHOKCMSEGMZRME-LBPRGKRZSA-N	405.292	3.777	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	773618398	PVNTVYAQLQAQHL-KDOFPFPSSA-N	400.910	3.572	10	20	HHCD	
C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1	773622326	GNEBCLVPMYTXHO-HZPDHXFCSA-N	403.548	3.620	10	20	HHCD	
CC[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Br)ccc1O	775533364	ZYZFHIFHMCDMCN-KRWDZBQOSA-N	404.308	3.654	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)c1	775768317	OLYADXPJXSCPCP-AWEZNQCLSA-N	400.475	3.917	10	20	HHCD	
CCC1(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCOCC1	778804287	CFLCFMOUZOXTEZ-IBGZPJMESA-N	419.566	3.641	10	20	HHCD	
COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	779845196	UBBCWJLENTZRQK-UHFFFAOYSA-N	410.648	3.757	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(F)F)c2)cc1	780388531	CVDKVQCUSWWMQB-UHFFFAOYSA-N	418.487	3.967	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785609222	AORAXPKUHMWVJS-KBXIAJHMSA-N	422.241	3.859	10	20	HHCD	
CCC1(CC)CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1	786713211	XMPFZSSOUFPRQB-FQEVSTJZSA-N	414.594	3.890	10	20	HHCD	
Cc1cc(C)c(N2CC[C@@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)c(C)c1	788803631	IDGWWXRJGHQULK-NZQKXSOJSA-N	407.558	3.905	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	790835507	RSIJPDQSHMWAOC-HZPDHXFCSA-N	403.548	3.668	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1Cc2cc(Br)ccc2O1	792057839	QEMLIYVEZSIMKK-LJQANCHMSA-N	401.304	3.669	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)CC3CC(c4ccccc4)C3)CC2)cc1	798940742	UPPJINIZVQXUFJ-UHFFFAOYSA-N	407.558	3.517	10	20	HHCD	
COc1cc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c(O)c(C(C)(C)C)c1	799139889	UDHLAWFWVWCESU-UHFFFAOYSA-N	402.457	3.589	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1	799589415	OQNUHDBEHFGNKB-SFHVURJKSA-N	418.582	3.897	10	20	HHCD	
Cc1nc(CS(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cs1	800148945	TZIRLCVBWRUGHY-ZDUSSCGKSA-N	413.996	3.961	10	20	HHCD	
C[C@H](NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1ccccc1O	800991777	BYYMUKJTIGHUIL-YOEHRIQHSA-N	417.472	3.526	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	801637528	SFNYIDUSARQZSK-UHFFFAOYSA-N	408.495	3.910	10	20	HHCD	
CC(C)COc1cccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	803124357	WUCOUAHHIYKBEP-UHFFFAOYSA-N	423.557	3.595	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccncc2OCc2ccccc2)c1	805765896	RKSIRMCXKUKGTR-INIZCTEOSA-N	407.470	3.935	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCc2ccccc21	807291616	FYPJQMYPVQBMDU-QHCPKHFHSA-N	403.526	3.605	10	20	HHCD	
C[C@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	807691931	VALUZXBQUKOTIC-SBUREZEXSA-N	418.493	3.954	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1	808070810	AKJFBQOWVLDHOP-CTNGQTDRSA-N	404.551	3.621	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](COC)c1ccc(Cl)cc1	808623703	PBRKTWPQEYNNAR-LJQANCHMSA-N	418.921	3.678	10	20	HHCD	
Cn1nc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C1CC1	810277340	ODPPQMLVZHSQNO-CQSZACIVSA-N	405.449	3.689	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)CCC(C)(C)C)cc2)cc1	811674491	FQMIPLIBRQJADA-UHFFFAOYSA-N	410.561	3.974	10	20	HHCD	
Cc1cnccc1SCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	814804884	IZEWHKXWJURMHK-HZPDHXFCSA-N	403.523	3.551	10	20	HHCD	
CN1CCN(c2ccc(CNCCc3cnc(SC4CCCC4)nc3)cc2)CC1	815162144	DAPGLRKCXFHZMY-UHFFFAOYSA-N	411.619	3.595	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1OCc1ccncc1	914448487	DOSWKUFWBKMFOR-UHFFFAOYSA-N	417.509	3.769	10	20	HHCD	
CCOc1ccc(-c2nnn(CN(C)Cc3ccc(N4CCCCC4)cc3)n2)cc1	914566392	CRPNQGSDBNPOOE-UHFFFAOYSA-N	406.534	3.819	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	915220252	MPNWHZQCTOQVNR-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(F)ccc3F)n2)cc1	917218661	MTLZXZMSJWVPJV-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CC[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)N1CCc2ccccc2C1	918212762	XXECMINZDJYQTQ-HSZRJFAPSA-N	406.574	3.923	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cccc(CN3CCOCC3)c2)cc1	918224397	VUZKTZLRXAMREG-UHFFFAOYSA-N	424.589	3.707	10	20	HHCD	
CCNC(=O)COc1cccc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1	918652192	LZNFKEXZDYJVJA-UHFFFAOYSA-N	423.488	3.678	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)Cc3ccsc3)cc2F)C[C@@H](C)O1	918780733	OJXHYGAHHQKEDC-OAGGEKHMSA-N	405.539	3.931	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1	920250429	FJNFVDKBSFNDSH-SEYXRHQNSA-N	407.514	3.662	10	20	HHCD	
CC(C)CC(=O)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	1233196139	UITXDMLMXKKUFE-UHFFFAOYSA-N	405.336	3.998	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3c3cccc(Cl)c3)CC2)cc1	1317879988	FOWQLJMSUVMVFM-QFIPXVFZSA-N	413.949	3.834	10	20	HHCD	
CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)CCCCC1	1802216619	COWAXJGHBRYBSN-MUJYYYPQSA-N	420.937	3.973	10	20	HHCD	
Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	13251342	LOLPLMZQJOCJQK-UHFFFAOYSA-N	403.500	3.922	10	20	HHCD	
CCOc1ccccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	55529614	FFPFBFSWTAXIBS-CALCHBBNSA-N	416.493	3.533	10	20	HHCD	
COc1ccc(N2CCN(CCCNc3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1	59376270	OBVYAZKMXZCOHL-UHFFFAOYSA-N	421.501	3.776	10	20	HHCD	
CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1OC	69436326	HZRGRJAYKBXCLD-NRFANRHFSA-N	412.530	3.981	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(Cl)c4c(c3)OCCO4)CC2)cc1	110360702	STPCRIFMYWACPI-UHFFFAOYSA-N	402.878	3.519	10	20	HHCD	
COCCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	139941057	COKNOPCANJWSGL-KRWDZBQOSA-N	403.548	3.504	10	20	HHCD	
C[C@@H](Nc1ccc(S(=O)(=O)C(C)(C)C)nc1)c1ccc(N2CCOCC2)cc1	301610261	CEUMYJVAWWFUGK-MRXNPFEDSA-N	403.548	3.664	10	20	HHCD	
COc1ccc(N2CCCN(c3nn4cc(-c5cccnc5)nc4s3)CC2)cc1	302085756	KODNXQSQRSPGPH-UHFFFAOYSA-N	406.515	3.578	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCC[C@H]1Cc1ccccc1	303871954	XSDQNLRLLLXRHE-RBBKRZOGSA-N	411.521	3.873	10	20	HHCD	
CCc1nc(C(=O)N[C@H](C)c2cc(OC)ccc2O)nn1-c1ccccc1Cl	728978377	FKCHAUIPCXVLNY-GFCCVEGCSA-N	400.866	3.688	10	20	HHCD	
Cc1nc(CN2CCC(CNC(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)oc1C	732175070	JLPIQHWPIXPNDR-UHFFFAOYSA-N	421.545	3.736	10	20	HHCD	
CCCC[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C)on1	732918863	NJQJYIXSEBKDSP-XLIONFOSSA-N	400.523	3.668	10	20	HHCD	
O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCCSc1nccs1	733879797	YQSZCDGFLOHXBI-UHFFFAOYSA-N	417.512	3.666	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)n2)c(C)c1	734975419	DPGPIVZPVZIOPL-UHFFFAOYSA-N	413.524	3.514	10	20	HHCD	
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(Cl)c1Cl	735522083	SQWVYGBMTVTZBM-SECBINFHSA-N	403.287	3.562	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](Cn3cccn3)c3ccccc3)CC2)cc1	741406891	CRIFCJHQAGRUDM-HSZRJFAPSA-N	419.529	3.601	10	20	HHCD	
Cc1cc(=O)c(C(=O)NCc2ccc(N3CCCCC3)cc2)nn1-c1ccccc1F	742476161	YOKRKFMXFBSAPC-UHFFFAOYSA-N	420.488	3.600	10	20	HHCD	
Cc1cc(C(=O)CN2CCC3(CCOCC3)C2)c(C)n1-c1ccc2c(c1)OCCO2	744429723	ZYMKDZMSOLBFLE-UHFFFAOYSA-N	410.514	3.551	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCc4c[nH]nc4C3)c2C)cc1C	745629252	LVCIPBJSOUSTAF-GOSISDBHSA-N	405.498	3.965	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCN(c2ccccc2Cl)C1=O	745813567	OZNHZQQIJQFILG-SFHVURJKSA-N	413.905	3.529	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c1C	745974719	JOMNLTKLURJLKY-UHFFFAOYSA-N	416.525	3.832	10	20	HHCD	
CCc1c(C(=O)NCc2ccccc2O)cnn1-c1ccc(Br)cc1	748345553	MZOYLWDROUVYED-UHFFFAOYSA-N	400.276	3.833	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O	750661369	QLJDRMNGEGXXPV-NRFANRHFSA-N	409.530	3.548	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](c3ccc(F)cc3)c3ccccn3)cc2)C1	753627399	WYXDATPWDWHLMY-RDPSFJRHSA-N	418.516	3.802	10	20	HHCD	
COc1ccc(N2CCN(CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1F	753856719	DZRCNWPFDBJVKQ-UHFFFAOYSA-N	416.884	3.902	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN(CC(C)(C)O)C3CCOCC3)c2C)cc1F	754659047	MWHGIQAIKJLYGU-UHFFFAOYSA-N	416.537	3.976	10	20	HHCD	
CC(C)Cc1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc1	755034310	PTYASEJTCFLVJO-XDJHFCHBSA-N	404.601	3.809	10	20	HHCD	
COc1cc([C@H](C)N[C@@H](C)c2cc(Br)ccc2O)ccc1OCCO	756460790	SXCNVCAQBJYRHJ-STQMWFEESA-N	410.308	3.946	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CC[C@@H](C(F)(F)F)C1	761043113	UTPNCFMSXJMYDS-QWHCGFSZSA-N	416.399	3.673	10	20	HHCD	
Cc1cncc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1	762145344	PHVQLDHPCPPUQK-CXUHLZMHSA-N	417.581	3.749	10	20	HHCD	
CNC(=O)[C@H](NC(=O)CNc1cc2oc3ccccc3c2cc1OC)c1ccccc1	762784745	XVEZVMRSIASSNA-HSZRJFAPSA-N	417.465	3.610	10	20	HHCD	
C[C@@H]1CN(CCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)CCCO1	764571348	BUTOCIIZBVSYLS-LJQANCHMSA-N	403.567	3.737	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cc1	765264690	CMWSBAGPEAGIHK-GOSISDBHSA-N	401.576	3.577	10	20	HHCD	
Cc1c(NC(=O)NCc2cccc(Br)c2O)cnn1-c1ccccc1	765315872	DABIDILTXKDLQC-UHFFFAOYSA-N	401.264	3.971	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1csc(-c2ccc(O)cc2)n1	765745989	BLWSMTMBDZBHMN-UHFFFAOYSA-N	405.273	3.914	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C(=O)Nc1cc(Cl)cc(Cl)c1	765903141	FVMUGSDGYRQWCZ-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
O=S(=O)(NCc1cccc(Br)c1O)c1c(Cl)cccc1Cl	766202021	YSBGZHRMTZHIPK-UHFFFAOYSA-N	411.104	3.940	10	20	HHCD	
CC(C)(C)Oc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)n1	767198442	DKRFPNCJWGVKQW-UHFFFAOYSA-N	414.575	3.812	10	20	HHCD	
O=C(NCc1ccccc1O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1	769355576	CFPKCZAIHDGBLF-UHFFFAOYSA-N	416.886	3.776	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC(OCCN3CCCC3)CC2)ccc1N1CCCCC1	769505943	KVHSPVJCOAIYKE-UHFFFAOYSA-N	416.566	3.662	10	20	HHCD	
CNc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(Cl)n1	771052422	FBPFJHSQJHSCMP-HNNXBMFYSA-N	409.317	3.530	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnc(Br)c1	771054570	AAVGYYWVDJTWCL-HNNXBMFYSA-N	424.726	3.598	10	20	HHCD	
CCO[C@H](C)c1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1	771057512	KAUUTOREUYMCJR-CJNGLKHVSA-N	423.966	3.994	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)NCCCSc2nccs2)cc1Cl	771525359	IHKXYAVVMFZACE-UHFFFAOYSA-N	415.924	3.652	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCNC(=O)c2ccco2)cc1	772039043	VAYPPYCQZJFGTF-UHFFFAOYSA-N	405.458	3.921	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(N2CCSCC2)cc1	772040198	AWYRXEDZCDHTJG-UHFFFAOYSA-N	417.918	3.568	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCc1cnoc1C1CC1)c2[N+](=O)[O-]	773432324	USNGBKUGZMMCKR-UHFFFAOYSA-N	418.361	3.593	10	20	HHCD	
CC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1OCC(=O)NC	775127137	AVOIKEOMEITTHB-GOSISDBHSA-N	404.894	3.614	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)c(Br)c1	775394410	JFNRAFLDKTVARA-CQSZACIVSA-N	422.342	3.963	10	20	HHCD	
COc1ccc(C(=O)N2CCC(NCc3cc(Cl)cc(F)c3O)CC2)cc1OC	776176091	XKUYNSJQTXOGOZ-UHFFFAOYSA-N	422.884	3.596	10	20	HHCD	
O=C(COC(=O)c1cccc(O)c1O)NCCC(c1ccccc1)c1ccccc1	776282310	QLOYMLVMUPGNGB-UHFFFAOYSA-N	405.450	3.593	10	20	HHCD	
COc1cccc(C(=O)NCCN[C@@H](C)c2cc(Br)cc(C)c2O)c1	779017523	KQEFDUWZCOTYPV-ZDUSSCGKSA-N	407.308	3.552	10	20	HHCD	
CCOC(=O)N1CCC([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	779068391	QQAHLSSCIIDIOS-SJORKVTESA-N	407.530	3.570	10	20	HHCD	
CCOc1ccc(-c2nc(NS(=O)(=O)c3cn4c(n3)CCCC4)sc2C)cc1	779793229	YEVSIFYWKODGOA-UHFFFAOYSA-N	418.544	3.851	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(-c4cnn(C)c4)ccc3F)CC2)cc1	782261968	ULULKTAXPZIPNQ-UHFFFAOYSA-N	408.477	3.634	10	20	HHCD	
C[C@H]1C[C@H](CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1	784511139	NDLKZNACLUNFER-JKSUJKDBSA-N	411.493	3.761	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1	788964249	COLICLDGSRDZOJ-QFIPXVFZSA-N	411.521	3.946	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1	788964318	MVVILNOFVGOLCS-JOCHJYFZSA-N	408.546	3.688	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)c1ccc2c(c1)OCCCO2	789863512	UQQWRBGUYWNWSX-UHFFFAOYSA-N	410.514	3.926	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c(Br)c1	795617482	WEKPITXWEKIQPE-UHFFFAOYSA-N	411.321	3.859	10	20	HHCD	
CCOCCOCCN(C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800720870	WMHZHNJSJFKVHC-QGZVFWFLSA-N	411.974	3.771	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C	800891321	JSHYLDJRLFIYMD-GOSISDBHSA-N	407.967	3.847	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1	802610319	UESUCAGFTJQACC-UHFFFAOYSA-N	409.486	3.508	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)cnc2OCC2CC2)c1	802782484	VRUAJGWILZTFDP-NSHDSACASA-N	421.291	3.838	10	20	HHCD	
Cc1cc(C)cc(CCNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	805023149	BZIKZWIZKJXZHM-UHFFFAOYSA-N	407.558	3.515	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(C)n1-c1ccccn1	811564259	AUZSBKCMAKXNMW-DEOSSOPVSA-N	407.489	3.696	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1	914455301	UHRJFTHIOXAOIJ-LJQANCHMSA-N	409.530	3.666	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2ccc(C(F)(F)F)n2)cc1	914491773	QSBDIWURBWQYOD-UHFFFAOYSA-N	406.408	3.790	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)s1	917846193	MEEQBOVZHWZUER-UHFFFAOYSA-N	416.452	3.737	10	20	HHCD	
CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)c2)n1	1115990443	GASDORWKUSOERF-CQSZACIVSA-N	424.457	3.646	10	20	HHCD	
O=C(NCCc1c(F)cccc1Cl)NCc1cccc(Br)c1O	1324640980	DHUQYVHJNXSKGU-UHFFFAOYSA-N	401.663	3.989	10	20	HHCD	
COc1cc(N2CCN(C(=O)C3C[C@H]4CCC[C@H](C3)C4)CC2)cc(OC)c1OC	1324654054	NSDPPGNTCUZTFH-IRXDYDNUSA-N	402.535	3.577	10	20	HHCD	
Cc1nnc(-c2ccc(C(=O)Nc3c(C4=S=CC=C4)nc4ccccn34)cc2)o1	468728418	YXXDNEADWNZGSJ-UHFFFAOYSA-N	401.451	3.571	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(S(C)(=O)=O)c3)ccc21	481920538	NIQOMHJIAOKJFO-UHFFFAOYSA-N	400.500	3.560	10	20	HHCD	
CC(C)(C)[S@@](=O)Cc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1	609700606	AHHFCAQASVXDPK-VWLOTQADSA-N	409.558	3.539	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)n1-c1cccc(F)c1	726188128	NVIJGYQETWATHF-IBGZPJMESA-N	413.537	3.900	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cccc(OC)c3OC(F)F)SC2=S)cn1	726197498	KWAMUGGAIPJLFK-QPEQYQDCSA-N	411.455	3.919	10	20	HHCD	
CC(C)[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc(C2CC2)no1	727944252	WQKYCFKUCALZFK-MJGOQNOKSA-N	414.506	3.741	10	20	HHCD	
CC(C)(C)c1csc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	729505958	HAMDCWNUSJOZOG-UHFFFAOYSA-N	420.554	3.540	10	20	HHCD	
Cc1ncsc1CN(C)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	731214473	QEWQKELMHJZQTI-CQSZACIVSA-N	419.506	3.686	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2cccc(OC)c2OC)cc1F	731364866	QEOKJDWRLXFAAG-UHFFFAOYSA-N	403.498	3.731	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3cccc(CSC)c3)CC2)cc1	731755235	ZIYYTDOJTOMPGI-UHFFFAOYSA-N	414.575	3.502	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C[C@H]3CCc4ccccc4C3)CC2)cc1	732534786	WZORRJBRRNEKHA-NRFANRHFSA-N	421.585	3.519	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@](C)(O)c3ccc(F)cc3F)ccc21	734025700	CBOVKKHVEVSMRO-HSZRJFAPSA-N	416.468	3.820	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(CS(C)(=O)=O)c2C)cc1	735174279	MJGAKYWUYOHWPW-UHFFFAOYSA-N	403.548	3.708	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(Cl)cc2cccnc12	735936664	RPMRAFVMLCGCIL-UHFFFAOYSA-N	411.889	3.770	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cccc(-n3cccn3)n2)c(C)n1-c1cccc(F)c1	736929857	WIUFPQNVEYZRFD-UHFFFAOYSA-N	418.428	3.854	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1C(=O)N(C)C	741075190	SKFRMHAKTHMBOG-UHFFFAOYSA-N	412.559	3.572	10	20	HHCD	
CC(C)c1ccc(N2CC[C@H](C(=O)NCCCSc3nccs3)C2=O)cc1	741692147	GCIMITCUQNSDGL-QGZVFWFLSA-N	403.573	3.918	10	20	HHCD	
CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1	742468541	IYDCZRSVCGQQOP-UHFFFAOYSA-N	415.559	3.759	10	20	HHCD	
C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccn1)c1ccc(N2CCOCC2)cc1	742583906	SJZUZLWOLOIYFN-LJQANCHMSA-N	417.509	3.988	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@@H](O)COCc1cccc(OC)c1	743870874	FJWURKWDYXPXOG-GOSISDBHSA-N	424.335	3.563	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1O	750058867	ZIPMGLXZCQZJRV-INIZCTEOSA-N	400.906	3.890	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3nc(Cc4ccccc4)no3)cs2)cc1	751931908	WDUGYZPSVUVGRX-UHFFFAOYSA-N	406.467	3.647	10	20	HHCD	
C[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1	753283403	UVABKDBORWGYNX-SFHVURJKSA-N	414.571	3.843	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1	753365956	WEEAJUNQBFRAAJ-OAHLLOKOSA-N	421.538	3.798	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4nccs4)c3C)CC2)cc1F	753739762	KFNFZHRLJSFRPE-UHFFFAOYSA-N	414.506	3.661	10	20	HHCD	
O=S1(=O)CCN(Cc2c(O)ccc3cc(Br)ccc23)[C@H]2CCCC[C@H]21	754010905	JIZYPFPSWVGUBO-PKOBYXMFSA-N	424.360	3.850	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(Br)c(=O)n(C)c2)c(C)n1-c1ccc(F)cc1	755596833	RNYCUYRERORFAP-UHFFFAOYSA-N	418.266	3.947	10	20	HHCD	
C[C@H](N[C@H](C)CN1CCN(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1O	756590511	NSHZJJSSYYTOCM-CABCVRRESA-N	409.361	3.955	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)c(C(F)(F)F)c(F)c1	757857018	HOXCDEFEJRYQSK-UHFFFAOYSA-N	400.347	3.750	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c(O[C@@H]2CCOC2)c1	758803328	SBWFUTZUFNHTOU-JOCHJYFZSA-N	407.514	3.538	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cnc(C4CCC4)s3)CC2)cc1	760656304	LXJGNJWAWILLLG-UHFFFAOYSA-N	400.592	3.721	10	20	HHCD	
C[C@@H](c1ccccc1)N1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761149243	FIBVNINQGDJEOZ-HNAYVOBHSA-N	413.905	3.645	10	20	HHCD	
Cc1ccc(Br)c(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1	761974714	WZBPIIWNDURNKR-UHFFFAOYSA-N	417.303	3.597	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCO[C@H](c2ccc(F)cc2)C1	762344097	FNBPXBAPNPWASQ-HKUYNNGSSA-N	418.852	3.869	10	20	HHCD	
COC(=O)N(C)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1	765258536	JMFUNJWUPVLWJW-UHFFFAOYSA-N	408.252	3.679	10	20	HHCD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1O	765728672	JPSRYXUMWFLVNE-CQSZACIVSA-N	413.312	3.561	10	20	HHCD	
Cc1ccc(OC(F)F)c([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1	765980286	YGXAGVKUCKVWOM-MRXNPFEDSA-N	424.513	3.682	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(F)c1F	766560474	QFGNPQWLHRBJEK-HNNXBMFYSA-N	403.473	3.734	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2c(cc1F)NC(=O)CC2	768170177	GWXDPUANCGVMJY-UHFFFAOYSA-N	421.266	3.841	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC(n3c(O)nc4ccccc43)CC2)c1O	768217021	DJVGEGZKMDBSCQ-UHFFFAOYSA-N	402.838	3.846	10	20	HHCD	
CC(C)C[C@H]1CCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769744179	SYRCXJAYNGKNDM-OAHLLOKOSA-N	408.545	3.905	10	20	HHCD	
COc1ccccc1COC1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1	770268606	LDPCBYCYJWVPDZ-UHFFFAOYSA-N	423.557	3.968	10	20	HHCD	
COC[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccc(F)c(F)c1	773788184	SLGJRTAZXLIWIQ-NRFANRHFSA-N	419.472	3.583	10	20	HHCD	
C[C@](O)(CNCc1cc(Br)cc(Br)c1O)c1ccsc1	776208418	DDNVXUZZPKFJTD-AWEZNQCLSA-N	421.154	3.976	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cnn(CC(F)F)c3)n2)c(F)cc1F	777669180	FRUHLVKKBFPUFO-UHFFFAOYSA-N	420.413	3.659	10	20	HHCD	
CCOCCOc1ccc(Br)cc1NCc1cc2c(cc1O)OCO2	778642198	VXZMFWQXBUYFKH-UHFFFAOYSA-N	410.264	3.911	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	779522075	QGESCACPVJXORH-AUNFYEFLSA-N	406.404	3.521	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(CC(C)(C)O)[C@@H](C)C3)c2C)cc1F	782011924	KHRBNGQIHVUVMV-SFHVURJKSA-N	415.553	3.501	10	20	HHCD	
CCCCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1	783316967	ROZOCCVXGZIPFF-UHFFFAOYSA-N	412.534	3.702	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	784025881	MZUONFNRDZXVRQ-UHFFFAOYSA-N	410.470	3.811	10	20	HHCD	
Cc1ccc(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1F	788509830	ZOQUCOQJOBBHFP-HZPDHXFCSA-N	404.457	3.582	10	20	HHCD	
COc1ccc(F)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1OC	788516646	QGKJEYCSZLURGG-OAHLLOKOSA-N	422.884	3.596	10	20	HHCD	
CCc1[nH]nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1Br	789881280	MQAVAKRJOHLFOX-UHFFFAOYSA-N	405.340	3.997	10	20	HHCD	
C[C@@H](CN1CCOCC1)N(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	790135779	NBKLQIBGWMEVEF-SFHVURJKSA-N	409.534	3.961	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl	790412157	YPWAEADZIBBQGO-UHFFFAOYSA-N	406.243	3.597	10	20	HHCD	
Cc1cc(CC(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)c(C)n1-c1ccc(Cl)cc1	791891292	ZPOFKCBZKZTMRA-JTSKRJEESA-N	402.922	3.696	10	20	HHCD	
COC(=O)c1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)sc1C	792178992	MIQFKECRCNEUBX-DYVFJYSZSA-N	416.547	3.912	10	20	HHCD	
COc1ccc(CNC(=O)Nc2nnc(SCc3ccccc3)s2)c(O)c1	797607582	HKJSMMIQWLAJKS-UHFFFAOYSA-N	402.501	3.866	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	798090211	HAKAYSPBSITBJR-FCHUYYIVSA-N	413.949	3.904	10	20	HHCD	
COC(=O)[C@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1	798213276	UPUPYQNNGWXRTB-WKILWMFISA-N	400.441	3.623	10	20	HHCD	
Cc1nccnc1N1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	799325348	AJOASRDMVIHJBM-UHFFFAOYSA-N	415.501	3.961	10	20	HHCD	
C[C@H](NC(=O)C1CCCCC1)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	800882829	CQIGUFBEMPPYAW-HNNXBMFYSA-N	413.484	3.729	10	20	HHCD	
Cc1cc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC(C)C)c(C)n1-c1ccccc1	802675514	COKAQRQXHQVAKV-XMMPIXPASA-N	420.561	3.710	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1N1CCCC1	807513132	GXONMIQSLBIHBS-UHFFFAOYSA-N	408.285	3.554	10	20	HHCD	
COC[C@H](c1cccc(Cl)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	809187100	ZPAKUCVACVORJE-MRXNPFEDSA-N	409.269	3.851	10	20	HHCD	
CCCOc1cccnc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857471815	BNZAVPQEFAJRIC-QGZVFWFLSA-N	403.910	3.624	10	20	HHCD	
CCc1ccc(C(=O)N2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1	914848106	IUSDKIPMCZDPFB-UHFFFAOYSA-N	416.525	3.650	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)ccc1N(C)C	915748891	OIQNQAORDBNPJV-UHFFFAOYSA-N	418.541	3.766	10	20	HHCD	
CCOc1ccc(CN(CCCn2ccnc2)Cc2cc3c(cc2O)OCO3)cc1	916567833	XJVBQLOAUJFLDX-UHFFFAOYSA-N	409.486	3.809	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	917167005	NKWSITXXQFGYLJ-GASCZTMLSA-N	406.885	3.788	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1	917752042	PFVOAJSCRKIDGX-UHFFFAOYSA-N	415.345	3.617	10	20	HHCD	
CCCOCc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	918216891	VAPAZNZTTCDTDV-UHFFFAOYSA-N	415.509	3.588	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1	921056931	ZHXMYRNOQQYYAC-UHFFFAOYSA-N	418.541	3.881	10	20	HHCD	
COC(=O)[C@H](CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)Cc1ccncc1	1327475381	OHBZZVHCFNTOCM-FQEVSTJZSA-N	405.498	3.559	10	20	HHCD	
COC(=O)c1cc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)oc1C	6428092	UGKJCAFDTHWUGD-UHFFFAOYSA-N	404.374	3.507	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccco4)C3=O)c2C)cc1	16401149	XADNJQDTIYLJIZ-HSZRJFAPSA-N	405.454	3.645	10	20	HHCD	
Cc1ccc([C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)N2CCOCC2)o1	25399776	DVWUZHHHIGGCDP-JOCHJYFZSA-N	407.514	3.799	10	20	HHCD	
CS(=O)(=O)NCCSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1	78614772	BSPPCMXFELUHNF-UHFFFAOYSA-N	421.975	3.893	10	20	HHCD	
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1	108005412	TZDVENKVQGBQII-QGZVFWFLSA-N	415.559	3.593	10	20	HHCD	
COc1ccc(N2CCC(Nc3cc(-c4ccccc4)nc4ncnn34)CC2)cc1	301198935	VMJSPMSGPAPTDQ-UHFFFAOYSA-N	400.486	3.881	10	20	HHCD	
COc1ccc(N2CCC(NC(=S)NCCSc3ccccc3)CC2)cc1	726494422	SVTHQMRGYADSDG-UHFFFAOYSA-N	401.601	3.920	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)c1	727187948	AJJULXMSYQWQCA-UHFFFAOYSA-N	423.494	3.581	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)NCc3cccs3)ccc21	728637572	NNPNBBBNAWVAMQ-MRXNPFEDSA-N	414.527	3.828	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)c(C)n1-c1ccc(F)cc1	729541833	LOUXZFFJQLVRRO-KRWDZBQOSA-N	418.415	3.681	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C	731279170	VXKANIQLEPKYID-IBGZPJMESA-N	415.534	3.634	10	20	HHCD	
CCn1c(S)nnc1CCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	731443627	DGFIISWUFGCYRX-UHFFFAOYSA-N	417.966	3.549	10	20	HHCD	
Oc1ccccc1CN(Cc1ccco1)Cc1nc(-c2ccc3c(c2)OCO3)no1	732202516	UMHAHTUXTYZFDL-UHFFFAOYSA-N	405.410	3.966	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CS(=O)(=O)c3cccs3)c2C)cc1	735385418	ZDIZMYCDQOKRCA-UHFFFAOYSA-N	417.508	3.599	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCc4c[nH]nc4C3)c2C)cc1C	745629253	LVCIPBJSOUSTAF-SFHVURJKSA-N	405.498	3.965	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)ccc1Cl	751356771	SLRMHYZKZNKWMW-UHFFFAOYSA-N	423.918	3.966	10	20	HHCD	
CC[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(OC)cc1	751663391	CBFUXMHHUQJIMN-FPOVZHCZSA-N	423.557	3.597	10	20	HHCD	
C[C@@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	755295317	DFJKUIRYKAIUKD-ZDUSSCGKSA-N	405.436	3.707	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	758005096	UXLSBSAYXDOFBC-CYBMUJFWSA-N	424.467	3.692	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1Br	759241918	UZUWOJGMBHIPAE-JTQLQIEISA-N	418.244	3.525	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnn(-c3ccccc3)c2Br)c1	760250243	CSTNUXUDRLUSAA-LBPRGKRZSA-N	416.275	3.840	10	20	HHCD	
COc1cc(Cl)cc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1O	761216396	QKWABEIELWJUJL-MOPGFXCFSA-N	411.329	3.869	10	20	HHCD	
Cc1ccc(C(=O)NCCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1F	764858348	RRWJIBKNCLXWFP-MRXNPFEDSA-N	419.928	3.705	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1cccc2ccccc12	764863129	IFBHGLSBPCYUAJ-QHCPKHFHSA-N	406.526	3.548	10	20	HHCD	
C[C@H](NC[C@H](CO)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl	765287458	IEDORENILSSVNZ-FUHWJXTLSA-N	406.929	3.818	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(Br)c(O)c1	765766461	WLBWBJUWTCCBIJ-UHFFFAOYSA-N	401.054	3.553	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)nc1Cl	767921915	ASKBDFGLIJXTSX-QGZVFWFLSA-N	403.910	3.631	10	20	HHCD	
CC(C)N(Cc1ccccn1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	768931999	YMBGWQZXLTWHSD-HDICACEKSA-N	414.525	3.955	10	20	HHCD	
Cc1nc(NC2CC2)sc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771064592	JMOYZLVTXSSFLA-INIZCTEOSA-N	420.966	3.779	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccnc1OCc1ccccc1)c1ccc(N(C)C)cc1	773847970	QOJMUHZQHRIEEJ-KRWDZBQOSA-N	418.497	3.543	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3cc(Cl)ccc3Cl)nc12	774872540	CPDROJGOXRFMPB-JTQLQIEISA-N	409.273	3.769	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(OCC2CC2)c(F)c1	775543054	RTPUVXBSFPIVGO-QGZVFWFLSA-N	413.537	3.990	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccc(N(C)C)cc1	775834421	OBMQXYVSZLRZHJ-LBPRGKRZSA-N	405.424	3.937	10	20	HHCD	
CSc1ccc(C)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	776041301	HTLNMWLKSNTSTH-KRWDZBQOSA-N	414.527	3.569	10	20	HHCD	
O=C1[C@H](NCc2ccc(N3CCOCC3)cc2)CCN1c1ccc(Cl)c(Cl)c1	778112499	FEPPOEHPCLAAAH-HXUWFJFHSA-N	420.340	3.725	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)ccc3N3CCCC3)c2)CC1	781272697	IWGAMJPWLZJCMS-UHFFFAOYSA-N	406.530	3.516	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1	782180335	VRIGCAVTXQTBJQ-YBEGLDIGSA-N	403.456	3.783	10	20	HHCD	
CCc1cnccc1[C@@H](C)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	783013442	QRKODOPAKUAJIQ-OAHLLOKOSA-N	413.477	3.709	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	784267371	ZACHNCUXIUMAGE-LPHOPBHVSA-N	424.463	3.633	10	20	HHCD	
CCCN(CCCN(C)C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	786783607	YVSJWUAPYGFHED-KRWDZBQOSA-N	412.525	3.630	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1cccc(Cl)c1Cl	786934779	ROGWKHPJYNQXGP-UHFFFAOYSA-N	406.313	3.526	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1F	792951584	IXWAIVJYCYIOPU-UHFFFAOYSA-N	420.529	3.648	10	20	HHCD	
CN1CCN(c2ccc(/C=C/c3nc(-c4ccccc4)ncc3C(=O)O)cc2)CC1	799891577	GWMLBFZJYCXOPR-FMIVXFBMSA-N	400.482	3.764	10	20	HHCD	
CN(Cc1cnn(C)c1)C(=O)CNc1ccc(Cl)cc1C(=O)c1ccc(F)cc1	799969506	SCMILJWHELEULL-UHFFFAOYSA-N	414.868	3.514	10	20	HHCD	
CC(C)(C)OC(=O)NCc1nc(CN2CCCc3cc(OC(F)F)ccc32)no1	800354695	DQIPGYJBIYPQTN-UHFFFAOYSA-N	410.421	3.649	10	20	HHCD	
CCCCN(CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)Cc1ccccc1O	801596785	OVPGZAYHFVCBIN-UHFFFAOYSA-N	422.533	3.534	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)c(C)n1-c1ccccn1	802313431	JWOQJLAAJHKBPT-GOSISDBHSA-N	414.303	3.715	10	20	HHCD	
Cc1ccc([C@H](C)N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1	803309466	XQUUVGOTDMPTPI-PMACEKPBSA-N	423.557	3.537	10	20	HHCD	
Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	804140897	ZOCIPNGPECQGRL-UHFFFAOYSA-N	420.557	3.638	10	20	HHCD	
Cc1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)c(C)n1-c1ccc(F)cc1	804891979	UMBUPICDZSZHRO-HXUWFJFHSA-N	413.880	3.713	10	20	HHCD	
O=S(=O)(CCCOCc1ccccc1)NCc1cc(Cl)cc(Cl)c1O	809847578	SGVSZMZYABVFQH-UHFFFAOYSA-N	404.315	3.725	10	20	HHCD	
CC1CCN(c2ccc(CN[C@H]3CCCc4ccc(S(N)(=O)=O)cc43)cc2)CC1	810217048	VHFGTIRGGXZFDO-QHCPKHFHSA-N	413.587	3.738	10	20	HHCD	
COC(=O)c1cc(C(C)(C)NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)no1	811995710	UKFAUFKGSDSZDK-UHFFFAOYSA-N	424.501	3.646	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)[C@@H]1OCCc2sccc21	815952897	YLRGZDFDRHLTQB-BLVKFPJESA-N	423.918	3.559	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(C)[C@@H]2CCCc3ccccc32)c1	818260348	XIAQKEFEHAYLBW-XMMPIXPASA-N	408.542	3.936	10	20	HHCD	
Oc1ccccc1CN(C[C@H](O)CO[C@H]1CCCc2ccccc21)C[C@@H]1CCCO1	916633080	GUGGSIURDQTMOV-HWBMXIPRSA-N	411.542	3.828	10	20	HHCD	
CCCC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1	917933077	DDGGYSGWQOXRHF-HXUWFJFHSA-N	411.546	3.913	10	20	HHCD	
CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)s1	918196384	RAAORFGSXQADEB-UHFFFAOYSA-N	411.530	3.518	10	20	HHCD	
CCn1c(S)nnc1CCNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1318339886	YWCIPASZQVAACL-UHFFFAOYSA-N	403.939	3.620	10	20	HHCD	
COc1ccccc1C1(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCC1	1318882360	ORVSAGMUWFOAHC-GOSISDBHSA-N	409.530	3.971	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccn(C)c2)C3)cc1	1845398296	XFZUBYDTFMEEAY-UHFFFAOYSA-N	416.525	3.563	10	20	HHCD	
COc1cccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1OC(F)F	145553449	REEPEZKJNPXKAS-CQSZACIVSA-N	406.429	3.624	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)NC(=O)CO4)ccc21	482880160	UCHRSBIGKMZXRV-HNNXBMFYSA-N	421.497	3.726	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCCc3nnc(-c4ccccc4)o3)CC2)cc1	726564034	YLDICHQVNNZSAK-UHFFFAOYSA-N	420.513	3.853	10	20	HHCD	
O=C(NCCc1cccc(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726609962	FDOXFUSJUBORAG-UHFFFAOYSA-N	407.436	3.938	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)CC2)cc1	726710375	WSFVHIUFFOOBOW-XZOQPEGZSA-N	409.530	3.884	10	20	HHCD	
Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	726914240	GEHBKTHEGNGIQW-OAHLLOKOSA-N	411.527	3.968	10	20	HHCD	
CC[C@@H]1CCc2c(sc(=O)n2CN2CCCN(c3ccc(OC)cc3)CC2)C1	728045113	OWCQQGLWSQFRFS-QGZVFWFLSA-N	401.576	3.603	10	20	HHCD	
COc1cccc(N2CC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2)c1	728219861	ZZBQIJUPEBCBOH-LJQANCHMSA-N	408.546	3.714	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(C)[C@H](C)CC(C)C)ccc21	728640533	XQIZHKWFGKVNNB-MRXNPFEDSA-N	402.535	3.954	10	20	HHCD	
CCCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1ccccc1O	729475368	SHZCPYJPSOLOIM-UHFFFAOYSA-N	401.938	3.606	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cn(CC)c4ccccc34)cc2F)CC1	730234829	DNNBEMQFIRMMMZ-UHFFFAOYSA-N	408.521	3.872	10	20	HHCD	
O=C(c1ccccc1SCc1ccc(Br)cc1)N1CCS(=O)CC1	731008520	YILJAJRWQCAGOC-UHFFFAOYSA-N	424.385	3.946	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)CC1	731038142	GBDMCFSQAGIOJE-UHFFFAOYSA-N	423.922	3.963	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1F	731404129	GOYHZOPTYCITOX-UHFFFAOYSA-N	414.460	3.596	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](N4CCCCC4=O)C3)c2C)cc1	732775223	JOXUHGIRESFGGM-FQEVSTJZSA-N	409.530	3.720	10	20	HHCD	
C[C@H](CN(C(=O)/C=C\c1cccnc1)c1ccccc1)NC(=O)/C=C/c1cccnc1	733876673	CQJWAVNUHHFZPI-MCQYVRCLSA-N	412.493	3.741	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1nc(-c2cccc(Cl)c2)no1	740917794	VATZXWRHOPUXQF-UHFFFAOYSA-N	409.877	3.766	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	741211040	HBAUXSFRNLQGGE-NRFANRHFSA-N	414.594	3.713	10	20	HHCD	
CC(C)n1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n1	742749663	JKYMPDPAAUEZDU-IBGZPJMESA-N	415.538	3.526	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c[nH]1	743045146	BHMZZYYAZOXESL-UHFFFAOYSA-N	405.501	3.651	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1	743066151	DJWNNNVKXIWYNQ-UHFFFAOYSA-N	419.547	3.867	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)ccc1C	745995004	ZVSXIICRPAWXLZ-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CC(=O)N(C)C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	749680702	VIMKLKWOUIBJDN-UHFFFAOYSA-N	407.474	3.510	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(COC2CCOCC2)cc1	752206987	PZZOBAJSCGTQCD-UHFFFAOYSA-N	411.546	3.756	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H](c3ccc(F)cc3)c3cccnc3)cc2)C1	753626141	PNTNBZMEHXUYRX-XUZZJYLKSA-N	418.516	3.802	10	20	HHCD	
Clc1ccc(-n2cc(CNCc3ccc(N4CCOCC4)cc3)nn2)c(Cl)c1	756014702	LEWXWYPDGRJWJV-UHFFFAOYSA-N	418.328	3.701	10	20	HHCD	
C[C@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1cc(Br)c(F)cc1O	756419690	WQCZVJUQAISACB-NSHDSACASA-N	401.320	3.982	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c1	756589210	KEIVNRRUUSIQAS-ZFWWWQNUSA-N	406.429	3.710	10	20	HHCD	
Cc1c(CN[C@@H](C)c2cc(Br)cc(Br)c2O)cnn1C	756774364	CAXPVDUFPRBUOF-QMMMGPOBSA-N	403.118	3.810	10	20	HHCD	
CN(C[C@@H]1CCCN1C(=O)NCCCSc1nccs1)C(=O)OC(C)(C)C	759600961	BOPRDWMBEKIPEH-AWEZNQCLSA-N	414.597	3.666	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cnccc1-c1ccccc1	760202496	DGEKMMRWAZWBBO-UHFFFAOYSA-N	400.482	3.604	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-n3ccnn3)cc2)cc1	760446984	JXMWQMBBWNNQTA-UHFFFAOYSA-N	403.408	3.538	10	20	HHCD	
COc1cc(Br)cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1	760603847	ZROHYHRVYZGWAG-UHFFFAOYSA-N	411.321	3.859	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(Oc4cccnc4)nc3)CC2)cc1F	760814463	BBFOFSHYVAUEDN-UHFFFAOYSA-N	423.448	3.771	10	20	HHCD	
CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	764259080	FTMCIOMOAGNYEH-NSHDSACASA-N	421.291	3.542	10	20	HHCD	
C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765278760	BHVOJELCGDNNMM-UUOWRZLLSA-N	417.532	3.965	10	20	HHCD	
COCCOc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	765288618	YMGIAOCWEAEGEV-QGZVFWFLSA-N	402.510	3.663	10	20	HHCD	
Cc1nc(-c2ccc(C)c(NC(=O)NCc3cccc(Br)c3O)c2)n[nH]1	765304601	YJYBBILWONBYAL-UHFFFAOYSA-N	416.279	3.878	10	20	HHCD	
C[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(N2CCCCC2)c(F)c1	765333416	UXIJYGGZUVMRMA-AVRDEDQJSA-N	407.599	3.675	10	20	HHCD	
CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	766894573	WVSBTVLVGXBQFX-DUXKGJEZSA-N	403.567	3.819	10	20	HHCD	
Cc1cccn2cc(COc3ccccc3C(=O)NCCc3ccc(O)c(O)c3)nc12	768898994	DMYPABDDBSISBJ-UHFFFAOYSA-N	417.465	3.605	10	20	HHCD	
CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccc(N(C)C)c(F)c3)no2)c1	770715714	IXCAXVQLZPMDDJ-UHFFFAOYSA-N	411.433	3.591	10	20	HHCD	
CC(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1	772057063	MXMYNDGYMIAOSX-UHFFFAOYSA-N	407.436	3.990	10	20	HHCD	
O=C(NCCc1ccc(Cl)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	774654570	PIAJVSSKGLGIOJ-UHFFFAOYSA-N	412.873	3.526	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	775727073	HKMNLIXNRVENPA-IERDGZPVSA-N	417.550	3.954	10	20	HHCD	
CC(=O)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)nc1C	776788924	WNYRTGWRJDWVAR-KBPBESRZSA-N	413.493	3.584	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@H](OCC4CC4)C3)cc2F)C[C@@H](C)O1	779531110	WQGQIMUPEFSXJV-QKLQHJQFSA-N	419.541	3.540	10	20	HHCD	
COc1ccc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1	780545612	RTVVTLAKSNUBRS-IBGZPJMESA-N	400.523	3.512	10	20	HHCD	
CCOc1cccc(CNc2ccc(N3CCN(C)CC3)c(Br)c2)c1O	786837959	XYLRRPHCSQZBMZ-UHFFFAOYSA-N	420.351	3.917	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccccc2OC(F)F)cc1	787387205	NKVSUKQJLRKIEZ-HNNXBMFYSA-N	419.472	3.628	10	20	HHCD	
COc1c(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)oc2ccccc12	788735921	BEVSHUSJLBCROA-UHFFFAOYSA-N	423.513	3.650	10	20	HHCD	
COc1cc(C(F)(F)F)ncc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	792512457	XJUAEQOMIGNZHN-UHFFFAOYSA-N	424.423	3.610	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CCCN(c2ccccc2)C1	794796235	WGJTUYYINSOVKK-MRXNPFEDSA-N	413.905	3.726	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCc4c[nH]nc4C3)cc2Cl)C1	799949483	PZUHJNXMZPADOQ-RHSMWYFYSA-N	401.942	3.656	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C[C@@H](C)S1(=O)=O	805392313	ICBAYGLKJDEUQI-RDTXWAMCSA-N	408.951	3.785	10	20	HHCD	
CCc1cc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)ccc1F	806557144	NDSAPKSHUVNTPM-UHFFFAOYSA-N	417.481	3.768	10	20	HHCD	
Cn1ncc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1-c1ccccc1	807005828	FRIRLBZKZFDGHF-UHFFFAOYSA-N	417.513	3.974	10	20	HHCD	
CC[C@H](NCc1ccc(OCC(N)=O)c(OC)c1)c1ccc(C(F)(F)F)cc1O	810213816	IEPOXQRJNDWHST-HNNXBMFYSA-N	412.408	3.525	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Br)c1	812477307	IVNMFKQBBXSVNT-AWEZNQCLSA-N	421.310	3.845	10	20	HHCD	
CC(C)c1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(O)n1	857455527	DDFABADTBLNKPR-HNNXBMFYSA-N	405.445	3.911	10	20	HHCD	
CC(C)Oc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccn1	857456857	QVAHAOQIOHKJHE-INIZCTEOSA-N	405.445	3.869	10	20	HHCD	
C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)Cc1ccc(N2CCOCC2)cc1	857758516	JBCBPJPATIMPIC-NQIIRXRSSA-N	413.587	3.769	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@]23CCC(=O)N2c2ccccc2S3)C2CC2)cc1	914484449	MPDWUQZYNDEFDT-HSZRJFAPSA-N	407.539	3.873	10	20	HHCD	
Cc1nccn1-c1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1	916839508	CAMIKPHTJCMLIM-UHFFFAOYSA-N	406.490	3.764	10	20	HHCD	
COc1ccc([C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C(C)C)cc1	918198247	GGHJMVMWZWDHOU-QFIPXVFZSA-N	415.509	3.867	10	20	HHCD	
CN1CCN(c2ccc(CNCCc3ccc(N4CCCCC4)cc3)cc2F)CC1	1318629633	HOCOMHBJAIDJOQ-UHFFFAOYSA-N	410.581	3.900	10	20	HHCD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1339770717	DNSLUJRQYDHMFG-CYBMUJFWSA-N	406.477	3.592	10	20	HHCD	
CC(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830737745	UMODYRACZLEOGC-QGZVFWFLSA-N	408.926	3.641	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1	51784280	RKOJIRKLFJNDJD-UHFFFAOYSA-N	418.497	3.927	10	20	HHCD	
COc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1OC	57512300	YRRTVUBMCYLVGX-KFERDVSVSA-N	424.541	3.991	10	20	HHCD	
Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)Cc2ccccc2O)cc1	110073464	DRMUAYXOOCRNPW-UHFFFAOYSA-N	416.524	3.835	10	20	HHCD	
Nc1ccc(CC(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1	237922377	JMEKVTUFZWMJGF-UHFFFAOYSA-N	417.437	3.529	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc([N+](=O)[O-])c1	726566382	XEDDZAWNVNTRGW-UHFFFAOYSA-N	405.401	3.903	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)CC1	731053479	ROFXNMQGXNMNBS-UHFFFAOYSA-N	420.601	3.600	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)c1	731365863	BVRRJZHTRNBQLL-LBPRGKRZSA-N	412.467	3.787	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1	734218059	FNZSZFRRBHVXRD-GOSISDBHSA-N	416.566	3.826	10	20	HHCD	
COC(=O)CC(C)(C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	741218133	HSFBLXODBFNAEU-UHFFFAOYSA-N	407.308	3.928	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1	742475801	ZDKJOPKJAPEMIM-QHCPKHFHSA-N	419.569	3.774	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	742566481	XQIWLKLPNNBCDC-UHFFFAOYSA-N	423.391	3.975	10	20	HHCD	
Cc1c(Br)cccc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	742693491	BPEFJOFPYPLUGO-UHFFFAOYSA-N	416.319	3.712	10	20	HHCD	
Cc1noc(Cl)c1CCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742804711	ATJMWSQPPGWDAJ-ZDUSSCGKSA-N	413.852	3.956	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(C(=O)OC)c1	743095599	BGOWEXHLEYCLTB-UHFFFAOYSA-N	407.264	3.995	10	20	HHCD	
CC(C)N(CC(=O)N[C@@H](C)Cc1c(F)cccc1F)Cc1ccc(N(C)C)cc1	743841730	UFVBOWZRPZYHAD-KRWDZBQOSA-N	403.517	3.989	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)C[C@H]3c3ccccc3F)CC2)cc1	743857919	XNUVHUSARNEURK-MBSDFSHPSA-N	411.521	3.566	10	20	HHCD	
COc1ccc(-c2n[nH]c(CNC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)n2)cc1	745839201	GPDLKFYUEOAVDB-UHFFFAOYSA-N	422.533	3.667	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1	748146698	LPLJPVRQNAAOFP-MHWRWJLKSA-N	401.469	3.772	10	20	HHCD	
NC(=O)N[C@H](CC(=O)NCc1ccccc1O)c1cccc(Oc2ccccc2)c1	748355393	XFXKOVDPQNERTC-HXUWFJFHSA-N	405.454	3.600	10	20	HHCD	
CCCCCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	748462472	UBUXQABOUXHHGU-NRFANRHFSA-N	414.594	3.687	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(O)nc3c(Br)cccc23)c1	750236350	QEVPYWJDLNRKRT-JTQLQIEISA-N	417.259	3.908	10	20	HHCD	
COc1ccccc1N1CC[C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	750330281	AFMWCWIHHRPPKJ-HXUWFJFHSA-N	422.573	3.962	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C(F)(F)F)CC2)cc1	753291855	LBIBKPOLWZWPFF-SFHVURJKSA-N	411.399	3.970	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1O	753318910	WMFGIZFELXQWCE-PWRODBHTSA-N	409.530	3.501	10	20	HHCD	
C[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1F	754169800	OAJUWOGKVXZZAM-LSDHHAIUSA-N	401.438	3.551	10	20	HHCD	
C[C@H]1COC(C)(C)CN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	754628322	GPENFLGAVCZCTP-OJNRTJSBSA-N	424.613	3.755	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	755333474	DXYDGRVXFPJPGU-UHFFFAOYSA-N	421.400	3.604	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2cc(Br)c(F)cc2O)c1	756587843	CWSLOLRJHFWRDF-XTZNXHDOSA-N	414.271	3.695	10	20	HHCD	
CCOC(=O)COc1ccc(CCN[C@@H](C)c2ccc(Br)cc2O)cc1	756732953	OCTKHAXFIGEUPG-AWEZNQCLSA-N	422.319	3.990	10	20	HHCD	
CCc1c(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cnn1CCC(C)C	756841691	RAPVNLBHOOMYKC-UHFFFAOYSA-N	402.514	3.602	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	758734498	PDSNCANOFCZHOB-RBUKOAKNSA-N	411.546	3.771	10	20	HHCD	
COc1cc(N2CCN(CCOc3c(C)cccc3C)CC2)cc(OC)c1OC	759885240	BGSCUPLAWPNFQF-UHFFFAOYSA-N	400.519	3.530	10	20	HHCD	
Cc1cc(-c2noc([C@H](C)NC(=O)NCc3ccc(N(C)C)c(F)c3)n2)ccc1F	760892885	CREABZUHRYQFLN-ZDUSSCGKSA-N	415.444	3.950	10	20	HHCD	
O=C(NC1CCC(F)(F)CC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	762316414	JWWPMTWIMYXIMK-UHFFFAOYSA-N	416.471	3.562	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCN(CC(F)(F)F)[C@@H](C)C3)cc2)CC1	762574324	SHUREQQKUPNQJQ-KRWDZBQOSA-N	412.500	3.701	10	20	HHCD	
Cc1cc(C(=O)NCCCCN2CCC[C@H]2CO)c(C)n1-c1ccc(Cl)cc1	763072432	UMMITVDHLDKBOU-FQEVSTJZSA-N	403.954	3.714	10	20	HHCD	
O=C(NCCCN(Cc1cccs1)c1ccc2c(c1)OCCO2)C(F)(F)F	764235633	VENILIZHIQZYCM-UHFFFAOYSA-N	400.422	3.595	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)Cc1ccc(O)cc1	765637607	IBZGRPWIVRKBOZ-SFHVURJKSA-N	418.493	3.547	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])c2cccnc12	765645585	WLRDILAMAJFQSD-UHFFFAOYSA-N	408.483	3.626	10	20	HHCD	
CC(C)Oc1cccc([C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	766062466	ZKHIBWWZYRMHGN-SBUREZEXSA-N	402.510	3.834	10	20	HHCD	
Cc1sc2nc(CN3CCN(Cc4c(O)cccc4Cl)CC3)nc(O)c2c1C	768193286	HHSHTKPSKCTQAW-UHFFFAOYSA-N	418.950	3.691	10	20	HHCD	
COc1cc(Br)cc(CN2CCc3c(cccc3NC(C)=O)C2)c1O	768984774	LGFRSWUWQVFBIK-UHFFFAOYSA-N	405.292	3.680	10	20	HHCD	
O=C(Cc1cccc(F)c1)N1CCCN(Cc2cccc(Br)c2O)CC1	769134084	YJSDTEOZDJDOCT-UHFFFAOYSA-N	421.310	3.571	10	20	HHCD	
COc1ccc(F)cc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	769279163	SIBVPCSQKGBDNX-UHFFFAOYSA-N	420.352	3.770	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)CC(F)(F)F)c(C)n1-c1ccccc1Br	771194088	BRYXTBOOOAXQNI-LBPRGKRZSA-N	419.241	3.900	10	20	HHCD	
COC(=O)c1ccc(OCCN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1	775253779	FECUHEWJPVBARW-INIZCTEOSA-N	418.921	3.693	10	20	HHCD	
CCc1ccnc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	775538136	HTIADOCIZWRBCU-HXUWFJFHSA-N	412.534	3.706	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	775778356	NGUNDKYQKWGAFW-XZOQPEGZSA-N	409.530	3.872	10	20	HHCD	
CCOC(=O)c1c(F)cccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	776485957	BVBFSCNDEMYLFL-UHFFFAOYSA-N	415.465	3.503	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	776877519	PLKATHRDZGIPAL-GOSISDBHSA-N	416.566	3.589	10	20	HHCD	
O=C(Nc1sccc1C(=O)NCc1ccc(O)c(O)c1)c1ccc2c(c1)CCC2	778925122	IAPOUQMDOQSCFY-UHFFFAOYSA-N	408.479	3.830	10	20	HHCD	
CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)/C=C\c1ccc(O)c(O)c1	779533720	ADSSUXYECYDLMW-NHMOSMEPSA-N	402.491	3.548	10	20	HHCD	
CC(=O)Nc1ccc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	780524476	PIGYIHYXXSZMBK-JOCHJYFZSA-N	409.530	3.841	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2nc(O)c3ccc(C(F)(F)F)cc3n2)cc1	784559558	SBAWRLLFMXCNOF-UHFFFAOYSA-N	421.375	3.542	10	20	HHCD	
CCOc1ccccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	786690082	MACVLQMNCRDWKO-UHFFFAOYSA-N	410.514	3.769	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cnc1Br	788517661	NLOMKXZSJZTUFL-UHFFFAOYSA-N	417.259	3.994	10	20	HHCD	
CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	789010127	BNPGAGXJHGIACK-CVEARBPZSA-N	419.477	3.798	10	20	HHCD	
C[C@@H](CCc1ccc(I)cc1)NC(=O)NCc1ccccc1O	792951445	AEFBWXYIHSITDK-ZDUSSCGKSA-N	424.282	3.817	10	20	HHCD	
C[C@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc(N2CCOCC2)cc1Cl	797133964	RVSFHJHGPFTMDA-OQRWROFFSA-N	406.979	3.906	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@]3(C)CCN(Cc4ccccc4)C3)ccc21	798392483	AFMVIWHSWQUZOC-VWLOTQADSA-N	406.574	3.780	10	20	HHCD	
CC1(C)C[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C(C)(C)O1	806953036	FJQYFUNOSRPCCI-LJQANCHMSA-N	402.535	3.516	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807839639	QRBRDRKJSTUSMK-CYBMUJFWSA-N	416.349	3.783	10	20	HHCD	
O=S(=O)(c1cccnc1NCc1cc(Cl)cc(Cl)c1O)N1CCCCC1	808089933	MWDLDQASEKWTKZ-UHFFFAOYSA-N	416.330	3.881	10	20	HHCD	
C[C@@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cc([N+](=O)[O-])ccc1O	810253983	CKZBFMRXBCBNGG-CQSZACIVSA-N	424.457	3.520	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1	917118975	QRVNXTXJGUCIOJ-UHFFFAOYSA-N	406.505	3.779	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cnn(-c3ccc(Cl)cc3)c2)SC1=S	917643262	XYRNPKCOHJNUTF-DHDCSXOGSA-N	421.931	3.680	10	20	HHCD	
CC(C)OCc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	918209721	GJZFPRAAKMEYDQ-UHFFFAOYSA-N	415.509	3.587	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)nc2)c(C)n1-c1ccccc1	918250159	MCEXJZFFUYYZOH-UHFFFAOYSA-N	420.513	3.574	10	20	HHCD	
Cc1cc(C)nc(Sc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)cc2)n1	918444787	WOYNPNKDTSGWEP-UHFFFAOYSA-N	422.510	3.547	10	20	HHCD	
CC(C)Oc1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Cl	919969980	MTEYCUMQSOCCDW-UHFFFAOYSA-N	417.937	3.661	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cccc(Cl)c3C)CC2)cc1	920251450	OTDIAYLHXDEFTL-ZHACJKMWSA-N	413.905	3.501	10	20	HHCD	
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1318924120	RFJWSJCPNNSWGN-CJNGLKHVSA-N	406.477	3.592	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)cc2F)CC1	1347708905	IEQYLHRPLSTNNM-JOCHJYFZSA-N	403.929	3.804	10	20	HHCD	
C/C(=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1351550320	YQIYLDZTYSMJGP-FUQHOXPJSA-N	422.573	3.820	10	20	HHCD	
CC1=CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)CC1	1788428034	TZPADQVEUNXIRU-INIZCTEOSA-N	421.497	3.987	10	20	HHCD	
Cc1ccccc1-c1nnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1C	8505824	MLMLDNNHDCFWMD-UHFFFAOYSA-N	409.559	3.607	10	20	HHCD	
COC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	65467259	HNBAAKXWXQVWRB-INIZCTEOSA-N	412.490	3.609	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)c(C)n1-c1ccccc1	72066423	GHLLPHRSFTXLMZ-QFIPXVFZSA-N	407.495	3.806	10	20	HHCD	
COC(=O)CCCN(C)C(=O)c1cc(C)n(-c2ccccc2Br)c1C	302974437	OUPVQTDQOHAGLF-UHFFFAOYSA-N	407.308	3.882	10	20	HHCD	
Cc1c(CNC(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)F)n(C)c2ccccc12	472245315	YXFJGLPNSDEMNJ-XLIONFOSSA-N	401.457	3.523	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)cc1)C1=S=CC=C1	545100418	NSBKACBVBBSNCH-UHFFFAOYSA-N	418.478	3.946	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	726266350	JZHIODWBFCORSM-IBGZPJMESA-N	418.582	3.931	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3-n3cncn3)SC2=S)cc1	726742879	YVZZQNBBLOONAF-WOJGMQOQSA-N	407.524	3.739	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)c(O)c1O	727006003	ZCZVYLNOIRVAIY-OAQYLSRUSA-N	423.440	3.950	10	20	HHCD	
CC(C)(C)OC(=O)C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	727599258	BWEQUSDKJILVOT-UHFFFAOYSA-N	419.591	3.503	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2CN2CCSCC2)c1	729039338	LZLQTYDOESBMME-OAHLLOKOSA-N	401.532	3.832	10	20	HHCD	
CCCN(CC)C(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	729304996	FBHRDGBVUDFPFO-UHFFFAOYSA-N	423.557	3.668	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1	730119733	OMIJSLFMFYMVSJ-GOSISDBHSA-N	402.489	3.889	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2N2CCCC2)cc1F	731409117	LOYGOQPQWUMBIC-UHFFFAOYSA-N	412.509	3.527	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1	732953300	GSEVDIDESGCOPT-UHFFFAOYSA-N	414.303	3.629	10	20	HHCD	
COC(=O)NCCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C	733543195	VDDZRJMCIMAGAG-UHFFFAOYSA-N	400.475	3.573	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	733562028	NLXVTHZCNLAYIR-AWEZNQCLSA-N	422.884	3.514	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F	734687300	UFBYXONGXDZWHQ-UHFFFAOYSA-N	404.505	3.613	10	20	HHCD	
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N(C)C)cc1C	734687613	MIMVLULPGYWEMA-QFIPXVFZSA-N	411.546	3.960	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC[C@H]1C	737054407	NVOHWLYJSFIQDW-RTBURBONSA-N	400.567	3.608	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCNc2nccc(C(F)(F)F)n2)cc1	737937172	WJDBBIBKKSXBDD-UHFFFAOYSA-N	403.408	3.745	10	20	HHCD	
CCO[C@H](C)c1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	742557046	PEPKCRMBTONQRH-SOUVJXGZSA-N	421.538	3.923	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(F)(F)F)cc2)SC1=S	742831074	QPAPXOSREVJRCW-UKTHLTGXSA-N	419.446	3.782	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C(N)=O)ccc1C	743129454	ACZJBUKVJWFHPV-UHFFFAOYSA-N	406.280	3.616	10	20	HHCD	
CNC(=O)Cn1ccc2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc21	743205561	SIGYXGBXLZYIPA-UHFFFAOYSA-N	419.529	3.650	10	20	HHCD	
CN(C)CCCOc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1	743588444	WZDWOKKFABLQTQ-UHFFFAOYSA-N	411.546	3.601	10	20	HHCD	
COc1cc(C)cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1O	743736016	MDGSPVTXMAGQLG-CQSZACIVSA-N	406.429	3.709	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CNC(=O)CCC1CCCC1	743808423	UBNIZJKZDSIXTD-UHFFFAOYSA-N	411.340	3.590	10	20	HHCD	
CCOc1ccc2nc(NC(=O)CN(C)c3ccc(OC)c(OC)c3)sc2c1	744391519	XIMMADYCMXUZTA-UHFFFAOYSA-N	401.488	3.787	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3c(O)ccc4c3CCCC4)CC2)cc1	745799809	KRRKAPNDRNITPL-UHFFFAOYSA-N	409.530	3.748	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3c[nH]c4c(C)cccc34)CC2)cc1	745841283	LHRJKURTURBZPQ-UHFFFAOYSA-N	406.530	3.949	10	20	HHCD	
CCCN(C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745906386	ZTMMHSQQLJKKFE-ROUUACIJSA-N	424.536	3.630	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cn1C	745994983	YVYPXEXFJWZYND-UHFFFAOYSA-N	419.528	3.661	10	20	HHCD	
Cc1nc(O)cc(-c2ccc(NC(=O)NCc3ccc4c(c3)CCCN4C)cc2)n1	746705803	FPHWOWPWWYAQMS-UHFFFAOYSA-N	403.486	3.862	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccccc2CS(C)(=O)=O)c1C	749434867	CFXVFFWZRJVLSX-UHFFFAOYSA-N	410.539	3.877	10	20	HHCD	
C[C@H](NCCCS(=O)(=O)c1ccccc1)c1cc(Br)cc(F)c1O	756475330	OGOQRHDCBMDCOS-LBPRGKRZSA-N	416.312	3.808	10	20	HHCD	
C[C@H](NC1CCN(C[C@H]2CCCO2)CC1)c1cc(Br)c(F)cc1O	756570849	BSYAINCVWYEOKQ-GXTWGEPZSA-N	401.320	3.588	10	20	HHCD	
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	757183166	VFNVXDPDNGBULX-DNVCBOLYSA-N	415.519	3.941	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(-c2nc(-c3ccc(O)cc3)no2)c1)c1cccs1	758291772	PZCRLTAAINJJIO-UHFFFAOYSA-N	415.452	3.677	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1cnn(-c2cnc3ccccc3n2)c1	760037770	MYOLXMKCDWDUJT-UHFFFAOYSA-N	411.516	3.576	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN3C(=O)N(C)C4(CCCCC4)C3=O)cc2F)C[C@@H](C)O1	761088214	BPAZQYMXQKZHTC-HZPDHXFCSA-N	403.498	3.536	10	20	HHCD	
C[C@H](NC(=O)COc1ccccc1Br)c1ccc(N2CCOCC2)cc1	763557522	VZXNRMUIFLEVRO-HNNXBMFYSA-N	419.319	3.542	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)c2C)c1	764071855	VKFOFNQKDNFQNX-CYFREDJKSA-N	408.590	3.501	10	20	HHCD	
CCN(Cc1ccc(N2CCC(OC)CC2)cc1)[C@H]1CCN(c2ccccc2)C1=O	764208357	CIJVHPQIYXRMDA-DEOSSOPVSA-N	407.558	3.929	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)cc4nc(S)[nH]c34)c2)CC1	767932474	XPHHVEIQUBWGJG-UHFFFAOYSA-N	413.522	3.773	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](c1ccccc1)n1cccn1	771062984	CUEIWLKKXFJFNY-IRLDBZIGSA-N	424.932	3.612	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1	772170344	STKPQVKIBYOBQU-UHFFFAOYSA-N	407.434	3.703	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCc3sc(Br)cc3C2)cc1F	772601273	JPHJVJRAPNZJCJ-UHFFFAOYSA-N	412.328	3.984	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c3c2CCC3)c(F)c1	773761949	CTXFOHDPZBYZGG-CQSZACIVSA-N	409.461	3.581	10	20	HHCD	
C[C@H](NCCCN1CCN(c2ccncc2)CC1)c1cc(Cl)c(Cl)cc1O	774160050	YSNANNLCXVEMFC-HNNXBMFYSA-N	409.361	3.957	10	20	HHCD	
COc1cc(O)c(CN[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1OC	776174530	DQZDSIGLSNEADO-NRFANRHFSA-N	420.509	3.773	10	20	HHCD	
CCC(CC)n1nc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C	776465943	OTVBIMYVUFONQN-UHFFFAOYSA-N	402.514	3.583	10	20	HHCD	
NC(=O)C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1	776941724	YALFBUKRFNTBMG-GOSISDBHSA-N	416.909	3.945	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cnc3ncc(Br)cc3c2)cc1F	780521759	WRCINIBOIZAPIH-UHFFFAOYSA-N	403.255	3.527	10	20	HHCD	
CN(C)Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1	789726538	JICVRHYKFKDTGU-UHFFFAOYSA-N	409.483	3.951	10	20	HHCD	
C[C@@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	791979925	GMVGNTQKOGXAEA-LLVKDONJSA-N	422.824	3.628	10	20	HHCD	
COC(=O)[C@@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccc(OC)c(O)c1	792181617	SPAZKIQWKIBPJV-QHCPKHFHSA-N	423.465	3.689	10	20	HHCD	
COc1ccc(Br)c(S(=O)(=O)Nc2ccc(O)cc2SC)c1	792702103	LTKSVEUCWAQNGX-UHFFFAOYSA-N	404.307	3.686	10	20	HHCD	
COc1ccc(CNCc2cn(-c3ccc(Br)cc3)nc2C)c(O)c1	793387878	BNUCDWLWSIQIPW-UHFFFAOYSA-N	402.292	3.947	10	20	HHCD	
CC[C@@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C)cc1O	794809004	DIRWPTPIPTYSJS-OAQYLSRUSA-N	402.560	3.736	10	20	HHCD	
CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2cc(Cl)cc(Cl)c2O)s1	796530246	SJEFYSXWCNTNHQ-BDAKNGLRSA-N	403.335	3.866	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2Br)c1	798441031	RXOMDVRKARYRQG-SECBINFHSA-N	420.712	3.856	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1OC	799183309	JJMQIMGNULSZTM-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1[C@H]2CC[C@H]1Cc1ccccc1C2	804970508	XNPCKCZUCCCIDJ-SFTDATJTSA-N	423.532	3.655	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc(Cl)nc1C	805022330	OZTVKXRZGKBOEF-UHFFFAOYSA-N	419.728	3.722	10	20	HHCD	
CN(C(=O)C(=O)NCCCSc1nccs1)C1c2ccccc2-c2ccccc21	806277256	VNGPJIPXWNRMJU-UHFFFAOYSA-N	423.563	3.970	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C	807101026	SBTZRUJZPAOVNO-INIZCTEOSA-N	416.591	3.785	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NC2CCC3(CC2)CC3)cc1	807554501	WKEWWELEQVBROA-UHFFFAOYSA-N	409.530	3.713	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1	807673607	WPWSYWUQZBUTNT-CQSZACIVSA-N	407.436	3.607	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(C)cc1OCC1CC1	807861586	HVZOHGJPYOLAFV-UHFFFAOYSA-N	423.557	3.515	10	20	HHCD	
CN(C)c1ccc([C@H](CNCc2cn(C)nc2C(F)F)NC(=O)OC(C)(C)C)cc1	812758001	ZSYBPECXFVRMRM-KRWDZBQOSA-N	423.508	3.779	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn3c2OCCC3)cc1	815547949	HKEYKFUJYGHDDT-UHFFFAOYSA-N	406.486	3.587	10	20	HHCD	
COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3nc4ccccc4s3)CC2)cc1	917210920	VRUJVMJBFGSBQM-INIZCTEOSA-N	410.543	3.844	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCOC3CCCCC3)cc2F)C[C@H](C)O1	918134181	TWNIYNGYDKUPDY-IRXDYDNUSA-N	407.530	3.588	10	20	HHCD	
CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1	918201731	MAECEGRAFIGGLU-OAQYLSRUSA-N	414.525	3.598	10	20	HHCD	
COc1ccc(OC)c(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	921193042	DFJKCSQEEFVGTK-QFIPXVFZSA-N	412.530	3.520	10	20	HHCD	
O=C(CSc1ncc2ccccn12)Nc1cccc2c1C(=O)c1ccccc1C2=O	26372918	GPWKRJSOOOFLGH-UHFFFAOYSA-N	413.458	3.841	10	20	HHCD	
CCCNC(=O)CCNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	108677535	ULNWCKAIGYYGMO-UHFFFAOYSA-N	406.324	3.503	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3nnc(C(F)F)s3)cc2F)C[C@@H](C)O1	148425986	CLWOIXGBKVFRGD-NXEZZACHSA-N	415.441	3.550	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3Cc3ccccc3)cc2F)CC1	303339800	VVIMFXJHYDWPBR-JOCHJYFZSA-N	424.564	3.884	10	20	HHCD	
COc1cc(C)sc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	303589931	MBVYATUBUSGKHF-UHFFFAOYSA-N	414.449	3.851	10	20	HHCD	
O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1c[nH]nc1-c1c(F)cccc1F)CC3	531760573	HOTXZWGNKLSZAQ-DHZHZOJOSA-N	420.375	3.707	10	20	HHCD	
CCN(CC)CCOc1ccccc1NC(=O)N1CCOc2cc(N(C)C)ccc21	541066209	BKXIPTGMKMNQBW-UHFFFAOYSA-N	412.534	3.904	10	20	HHCD	
O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C2=S=CC=C2)o1	544009141	GOZZKXFDDBIQFW-SFHVURJKSA-N	418.522	3.801	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)cc1)C1=S=CC=C1	546496925	APZLGCZYSOWYCR-UHFFFAOYSA-N	417.494	3.615	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccc(F)cc2F)C2CC2)n(C)c2ccccc12	583653663	FYVPJVRNBJZMGC-UHFFFAOYSA-N	411.452	3.572	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C3CCCCCC3)cc2F)C[C@H](C)O1	726211828	HGIUWCMUKOJTNK-IRXDYDNUSA-N	420.525	3.569	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(OC)c(OC(F)F)c3)CC2)cc1	726561699	MBDWPFPQDCCRHO-UHFFFAOYSA-N	406.429	3.704	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CCCN(C)CC2)c(C)n1-c1ccc(OC(F)F)cc1	727104862	HRWKOKHXXCKVKW-KRWDZBQOSA-N	405.489	3.904	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)n2)s1	727246309	RYXDBGRMHXWZCR-UHFFFAOYSA-N	419.557	3.825	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCN(c4ccccc4F)C3=O)c2C)cc1	732788266	ANIIYTFTQHSUNU-OAQYLSRUSA-N	421.472	3.777	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1	734064321	DOCYULQCMWTMNA-GOSISDBHSA-N	403.548	3.735	10	20	HHCD	
COCCn1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc21	735516683	WKAKRXAYVRJKBL-IBGZPJMESA-N	408.498	3.815	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1	742379491	COXXHRMPMHTWKR-YLJYHZDGSA-N	408.502	3.869	10	20	HHCD	
Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799087	UURMSGSHTJRTPX-CQSZACIVSA-N	406.477	3.718	10	20	HHCD	
CNc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(Cl)n1	742803809	PZQTXJPCGLTGSE-CYBMUJFWSA-N	410.852	3.777	10	20	HHCD	
CC(C)S(=O)(=O)c1ccccc1NC(=O)NCc1c(O)ccc2c1CCCC2	743155225	IRJLSRHYECTQFX-UHFFFAOYSA-N	402.516	3.775	10	20	HHCD	
CCO[C@H]1C[C@@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C12CCCC2	743703368	WKPVPBRQZAXMGU-RTWAWAEBSA-N	401.551	3.655	10	20	HHCD	
C[C@H](c1ccncc1)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	743721960	FNIKBXMJADPQPC-CYBMUJFWSA-N	415.405	3.598	10	20	HHCD	
CC1CCN([C@@H](C)CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745782058	AWVPVNSMVDYWQO-ZWKOTPCHSA-N	424.536	3.676	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(CCOC(C)C)CC2)c(C)n1-c1ccc(F)cc1	747422439	YVKZUIBRXQOSDS-UHFFFAOYSA-N	401.526	3.852	10	20	HHCD	
NC(=O)N[C@@H](CC(=O)NCc1ccccc1O)c1cccc(Oc2ccccc2)c1	748355390	XFXKOVDPQNERTC-FQEVSTJZSA-N	405.454	3.600	10	20	HHCD	
CCCCCn1nc(C)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	748955955	ZHLAQEVTEBRBEF-UHFFFAOYSA-N	403.502	3.679	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC([C@@H]2CCOC2)CC1	753155561	VHPWWIHZZBBEKB-QGZVFWFLSA-N	423.504	3.715	10	20	HHCD	
C[C@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)Cc2ccccc2C(=O)O1	754549231	WDXQTCDIZCHWJG-RUZDIDTESA-N	411.413	3.572	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ncc(C(C)C)s3)CC2)cc(OC)c1OC	755399141	WJZBWGZUTGMWPK-UHFFFAOYSA-N	420.535	3.646	10	20	HHCD	
C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1cccc(S(=O)(=O)N(C)C)c1	756535712	OLHRKZFNZIXSDW-HZPDHXFCSA-N	402.560	3.933	10	20	HHCD	
C[C@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1cc(Cl)ccc1O	756548699	CHHRDTQZWBCAEZ-MAUKXSAKSA-N	401.938	3.594	10	20	HHCD	
C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2Br)c2c(O)ccc(F)c21	756761979	VPCXHESERMYSTM-TYNCELHUSA-N	410.283	3.872	10	20	HHCD	
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCCCSc2nccs2)c1	759560333	FUTPFCVAXZYTMU-CQSZACIVSA-N	406.577	3.653	10	20	HHCD	
O=C(NCCC[C@@H]1CCCCO1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	760699528	DDHRYMOLAHCCPW-SFHVURJKSA-N	411.493	3.905	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccnc1OCC(F)F	761175936	RDDVWPJUFBCJIH-UHFFFAOYSA-N	415.234	3.856	10	20	HHCD	
COc1ccc([C@@H](CCO)NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	762275002	SRAJZHSLPHOXSY-HSZRJFAPSA-N	408.498	3.965	10	20	HHCD	
CCOc1cccc(CN[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)c1O	764983258	WJFHQEHACGRPBW-QGZVFWFLSA-N	419.319	3.757	10	20	HHCD	
COC(=O)CN(Cc1nnc(-c2ccccc2)s1)Cc1cc(Cl)ccc1O	766815523	USPKNKMSKAHPQB-UHFFFAOYSA-N	403.891	3.739	10	20	HHCD	
O=S(=O)(/C=C/c1cccc(Cl)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	768845416	FCYJMLSGEWPNPB-DHZHZOJOSA-N	424.925	3.531	10	20	HHCD	
COc1ccc(F)cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	768911817	CWPMXOYGLWNHED-OKILXGFUSA-N	405.445	3.909	10	20	HHCD	
COC(=O)COc1c(C)cc(CN2CCCN(c3ccc(OC)cc3)CC2)cc1C	768998109	LMJMCYBDMKGBMJ-UHFFFAOYSA-N	412.530	3.576	10	20	HHCD	
CCOC1CC(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)(N2CCOCC2)C1	774479377	RKWGPIGOBUHSIC-BURHJUHKSA-N	415.622	3.988	10	20	HHCD	
COc1cc(O)c(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1OC	776140806	LTYSAQRPNMSLSD-UHFFFAOYSA-N	416.481	3.947	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)/C=C\C(=O)Nc2ccc3n[nH]cc3c2)cc1	778557559	PXSIABTVAAYBCA-SEYXRHQNSA-N	405.502	3.562	10	20	HHCD	
CC[C@@H]1C[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1	780590881	WFCKZVAOGUYGAW-RLLQIKCJSA-N	419.566	3.640	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1	782192656	AGIOZQRXEVGIDA-QGOAFFKASA-N	413.520	3.682	10	20	HHCD	
CN(C)c1nc2cc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)ccc2o1	784062087	WUNIIJQDOFJIBJ-UHFFFAOYSA-N	421.501	3.780	10	20	HHCD	
CN1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	785025896	COSBBLPKYNTRHZ-UTKZUKDTSA-N	405.502	3.983	10	20	HHCD	
CSC1(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CCC1	787241112	DADIKKCVGZCKOM-ZDUSSCGKSA-N	423.490	3.618	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1	789534465	NIOULIBWYUWFEA-LNLFQRSKSA-N	422.554	3.678	10	20	HHCD	
CO[C@H]1CCOc2c(NC(=O)NCc3cccc(Br)c3O)cccc21	790566578	ZQFVGTRNEKYMGT-HNNXBMFYSA-N	407.264	3.946	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(CCc2ccccn2)Cc2cccnc2)cc1F	797440820	AZDCQXKCRMFSOT-UHFFFAOYSA-N	407.493	3.636	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1	802353895	ZGOQDYISZMDCJI-IBGZPJMESA-N	411.502	3.824	10	20	HHCD	
Cc1cccnc1[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C(C)C	805873828	SLALBHHAGVBVDS-OAQYLSRUSA-N	421.497	3.731	10	20	HHCD	
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	806493699	BEBPHDLJEDQSPD-MISYRCLQSA-N	414.594	3.745	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)Cc2ccc(C)s2)cc1	807278910	OZYJZTJYCKJNFJ-MRXNPFEDSA-N	401.576	3.609	10	20	HHCD	
FC(F)(F)Oc1cccc([C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)c1	809786606	GNCSMBNFFPYTJL-NRFANRHFSA-N	422.447	3.995	10	20	HHCD	
COC[C@]1(CNCc2cc(Br)cc(C)c2O)OCCc2ccccc21	811510210	ZCRDLJIXNBKLEF-FQEVSTJZSA-N	406.320	3.667	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@@H](Cc3ccccc3Cl)C3CC3)cc2)CC1	815579948	YZKLOTKVHATYHI-QFIPXVFZSA-N	418.990	3.686	10	20	HHCD	
O=S(=O)(Cc1ccccc1CNCc1ccc2ccccc2c1O)N1CCCC1	816558712	JNDLMHMCKUXLJR-UHFFFAOYSA-N	410.539	3.761	10	20	HHCD	
O=C([C@@H]1CCCN(CCc2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	816921778	GTXZFJGYFQTXDX-RPWUZVMVSA-N	422.569	3.855	10	20	HHCD	
Cc1ccc(CN2C[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CC2=O)cc1	914439472	ZLHVLAGDWOZPDN-OAQYLSRUSA-N	405.542	3.601	10	20	HHCD	
Cc1cccc([C@@H](CC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)NC(N)=O)c1	914445974	LNMQBQYBOZHTHF-HSZRJFAPSA-N	418.541	3.861	10	20	HHCD	
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918295688	SJJCKYZCYVGWDH-OAHLLOKOSA-N	423.296	3.845	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCN([C@H](C)c4ccccc4)C3)CC2)cc1	919784531	KVKJOVQKNQOGMY-IFMALSPDSA-N	422.573	3.752	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cn(-c2cccc(C(F)(F)F)c2)nn1	1117549002	YTTMTUOOEAQNRL-UHFFFAOYSA-N	408.727	3.728	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCC1CCN(S(=O)(=O)c2ccccc2)CC1	1320132562	YYNNJNMFEGNIPO-FXAWDEMLSA-N	414.571	3.939	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc4cnn(C(C)C)c4nc3C)CC2)cc1	108431379	XJRMPNMUTYYAAG-UHFFFAOYSA-N	407.518	3.682	10	20	HHCD	
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(c3)CCCN4C)C2)c1	116153923	MSQCUPXUARHMEN-OAQYLSRUSA-N	420.557	3.938	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@H](c4ccccc4OC)C3)ccc21	505454219	UZTABKHJBBVOCC-QFIPXVFZSA-N	421.541	3.700	10	20	HHCD	
O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1C[C@H](CO)Cc2ccccc21	646530271	CTKFSNFRSNBDRM-GOSISDBHSA-N	410.477	3.746	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3csc(Br)c3)CC2)cc1	726614969	YIGJPAIBMTZWPM-UHFFFAOYSA-N	424.364	3.987	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)cc(OC)c1OC	727864113	SFYSHDUSCDSTLR-BOPFTXTBSA-N	416.524	3.551	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCCc2cn(-c3ccccc3)nc2C)c1	728948466	HRURPJDMSOBAHR-KRWDZBQOSA-N	408.502	3.888	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4scnc4c3)cc2)CC1	731131152	CBQXPTBMXDJKQV-UHFFFAOYSA-N	408.527	3.788	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1F	731363610	JZDFREOVBXTIPP-NRFANRHFSA-N	409.509	3.994	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N(C)C)cc2C)cc(OC)c1Br	734407162	DBNMTUWKJCZRLL-UHFFFAOYSA-N	407.308	3.771	10	20	HHCD	
Cc1csc(-c2cccc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c2)n1	740398293	HMUZEEHYTVUAPR-UHFFFAOYSA-N	423.538	4.000	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C[S@](C)=O)c3ccccc3)c2C)cc1	742197990	CFZGLGJWBZGLIB-ZTOMLWHTSA-N	410.539	3.952	10	20	HHCD	
Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	742417044	QMTGOLODJCBSON-UHFFFAOYSA-N	420.561	3.759	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=NO[C@@H](c2ccccc2)C1	742797474	CSWDIFLXTZLSRW-OXQOHEQNSA-N	415.440	3.891	10	20	HHCD	
O=C(CCOCc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800204	PJVQUWOSSRPENW-GOSISDBHSA-N	404.457	3.980	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(Br)c[nH]1	742801377	QHIGSHMTNVVDLZ-LBPRGKRZSA-N	414.250	3.777	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c(C)n1-c1ccccc1Br	749186378	OZCSIYCVBOVDON-RHSMWYFYSA-N	418.335	3.631	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H](c1ccc(C)cc1)n1cncn1	755848697	QUQYIIYFXKCXBV-YADHBBJMSA-N	406.534	3.520	10	20	HHCD	
C[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1cc(Br)c(F)cc1O	756384036	NBGDJQPDURSLTD-SNVBAGLBSA-N	417.300	3.516	10	20	HHCD	
C[C@@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1O	756642088	LGEGWDXAXCWZSH-CYBMUJFWSA-N	416.393	3.976	10	20	HHCD	
CN(CCC1CCOCC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	757669854	OKIPSIPDRFODPS-UHFFFAOYSA-N	411.493	3.715	10	20	HHCD	
CC(C)Cn1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C(F)F	758719328	BVKUPRRYTIRDAF-OAHLLOKOSA-N	406.477	3.804	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CC(C)(C)OC2=O)c(C)n1-c1ccccc1Br	762039680	CBBIAQLXZRYYPT-HNNXBMFYSA-N	405.292	3.681	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2OCC(F)F)C2CC2)cc1	762424076	NZUFPEQHMBFOSY-UHFFFAOYSA-N	417.456	3.526	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1	764598487	ATTKNNADGHZFRH-UHFFFAOYSA-N	421.570	3.705	10	20	HHCD	
O=C(NCc1ccnc(OC2CCCC2)c1)NCc1cccc(Br)c1O	764762365	QOOKNVDQZCWXLO-UHFFFAOYSA-N	420.307	3.871	10	20	HHCD	
CCCn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C1CC1	765648353	UFVRIZIQHBUEJS-IYBDPMFKSA-N	414.525	3.853	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCOC2(CCC2)C1	766036377	LSKJYWDRRUWCDE-NTCAYCPXSA-N	422.597	3.511	10	20	HHCD	
COCc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1	767312659	NJSQZSVGCMKYQA-DYESRHJHSA-N	413.518	3.870	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C(C)(C)C(N)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	769690715	GVKBWTDZHVUPQL-UHFFFAOYSA-N	411.285	3.638	10	20	HHCD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	769880500	XPKALOHNNSFSRQ-UHFFFAOYSA-N	411.502	3.659	10	20	HHCD	
COc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1F	770731930	SJCLUWUPWSJMDR-UHFFFAOYSA-N	413.493	3.858	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(C[C@H](C)CC(C)(C)C)n3)CC2)cc1	771080511	CBFWUMTXAJSNNA-KRWDZBQOSA-N	414.550	3.584	10	20	HHCD	
Cc1nn(C)c(=O)c(-c2nc(CN(Cc3ccc(N(C)C)cc3)C3CC3)cs2)c1C	771790898	JLNHNEOMNWWTBR-UHFFFAOYSA-N	423.586	3.751	10	20	HHCD	
CCS(=O)(=O)C[C@H](C)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772115826	JKSMQUKYSGZSKP-HNNXBMFYSA-N	402.520	3.721	10	20	HHCD	
CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772115832	JKSMQUKYSGZSKP-OAHLLOKOSA-N	402.520	3.721	10	20	HHCD	
CCn1nc(C)c(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	772511634	RZNCQRJIAMTXFP-HNNXBMFYSA-N	407.465	3.912	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1	773121104	PPSXYUKCMMPKKE-GCJKJVERSA-N	411.521	3.504	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cc(CN3CCSCC3)ccc2C)c1O	774934837	UDZDMDXEWUTSDK-UHFFFAOYSA-N	403.504	3.778	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1CC	775144026	RBRAXVNDZWWWLY-UHFFFAOYSA-N	409.530	3.544	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1)c1ccc(OC)cc1	775197459	LXSGRZBNYUAWHL-HXUWFJFHSA-N	415.509	3.564	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCCc2ccccc2F)cc1)C1CCCCC1	775197687	SQTHQYFQZPTKQD-UHFFFAOYSA-N	411.521	3.570	10	20	HHCD	
C[C@@H](NCC(=O)Nc1cccc(I)c1)c1ccc(N(C)C)cc1	775833453	JJIJAXHUMNSULA-CYBMUJFWSA-N	423.298	3.647	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc2[nH]c(C)c(C)c2c1	777829448	XNYOEZCQFDINNG-UHFFFAOYSA-N	400.862	3.959	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(CS(=O)(=O)c2ccccc2)c1	779518058	VNSWBFCDGATUJX-ZRDIBKRKSA-N	409.463	3.724	10	20	HHCD	
Oc1c(Br)cccc1CN1CCOC[C@@H]1c1noc(-c2ccccc2)n1	779616476	SIGYZCFFMOXAPE-MRXNPFEDSA-N	416.275	3.778	10	20	HHCD	
CCc1cnccc1[C@H](C)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	783017590	VWFJLCBCUSVFPK-HNNXBMFYSA-N	413.477	3.709	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2nccc(C)n2)c1	784029735	GLHYWYOEIXIJFT-UHFFFAOYSA-N	404.470	3.535	10	20	HHCD	
Cc1cc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)ccc1-n1nnnc1C(C)C	784640638	NKZPCDHGRMWAIE-UHFFFAOYSA-N	402.842	3.973	10	20	HHCD	
C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2O)[C@H]([C@@H](C)O)C1	785989152	SMVQUECJNRNICG-RULNRJAQSA-N	407.146	3.899	10	20	HHCD	
CCS(=O)(=O)c1ccccc1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	786052937	NYRGDXITBFZKFE-HZPDHXFCSA-N	406.523	3.845	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccc(S(C)(=O)=O)s2)c1O	786963521	USXLVOLPZFGNMD-SNVBAGLBSA-N	404.351	3.779	10	20	HHCD	
CS(=O)(=O)c1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccc1Cl	788308509	YBCNHVGEZBQNPJ-UHFFFAOYSA-N	407.923	3.665	10	20	HHCD	
COC(=O)c1cc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc(Cl)c1F	792505217	UZEFDPXITXUFKC-UHFFFAOYSA-N	421.856	3.628	10	20	HHCD	
CN1CCN(CC2(C)CCN(Cc3ccc(N(C)C)cc3C(F)(F)F)CC2)CC1	793075693	ATPXWYASFTWYFF-UHFFFAOYSA-N	412.544	3.621	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1	794696591	HEXYAZJAUHVEMJ-QNGOZBTKSA-N	405.523	3.552	10	20	HHCD	
CC(C)[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(F)ccc1F	794807860	MLULTYQRLDQMDP-OAQYLSRUSA-N	408.514	3.687	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cnnn1-c1c(Cl)cccc1Cl	795094706	SLYFYNNOTYROQF-UHFFFAOYSA-N	414.343	3.943	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nc(OC)ccc2c1	802609886	NQRLAYGWRJQLAN-UHFFFAOYSA-N	407.470	3.716	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccoc2CC(N)=O)c(C)n1-c1ccc(C(C)C)cc1	803939440	SOBFHLJXBCGWOU-UHFFFAOYSA-N	422.481	3.878	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](C)c3nccn3-c3ccccc3)CC2)cc1F	806064971	KIGIWMBIRVEUFA-KRWDZBQOSA-N	423.492	3.613	10	20	HHCD	
COC(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c(N(C)C)c1	806455563	SMZHMQRHXNLMDB-UHFFFAOYSA-N	412.273	3.873	10	20	HHCD	
CC[C@@H](C)N[C@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccco1	806683332	GGUKKQIZYWOLCY-DYESRHJHSA-N	414.550	3.686	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Oc2cccnc2)cc1	808918506	BQZDHVVMVNPKPU-UHFFFAOYSA-N	416.481	3.729	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccnc(N4CCC[C@H](C)C4)c3)CC2)cc1	812477911	HYMFIRBTPIGJRY-IBGZPJMESA-N	408.546	3.679	10	20	HHCD	
C[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1cccc(C(F)(F)F)c1O	815574225	IXZHWINJMVJCRW-CQSZACIVSA-N	409.452	3.553	10	20	HHCD	
C[C@H](C(=O)NC(=O)Nc1ccccc1F)N(C)Cc1ccc(N2CCCCC2)cc1	887567996	NTYKPSAZRFDIGZ-QGZVFWFLSA-N	412.509	3.985	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc3c(c1)CCO3)c2[N+](=O)[O-]	914574447	NETHMASMYJUZJQ-UHFFFAOYSA-N	414.373	3.557	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)c3cccc(Br)c3)CC2)cc1	917017404	RDJISPHYNDQGEJ-HXUWFJFHSA-N	405.336	3.703	10	20	HHCD	
CCc1cc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1Cl	917709517	ZSRZAOGDXABNCK-UHFFFAOYSA-N	406.885	3.573	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](C)N2CCc3sccc3C2)cc1	918212121	XGLGAXVQWGVKCD-KRWDZBQOSA-N	400.592	3.840	10	20	HHCD	
Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)on1	918219896	QMZOTFMWEOSPFE-GQIGUUNPSA-N	416.497	3.782	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccccc1-c1ccccc1	919729692	FIQKHJHYZRDYCY-UHFFFAOYSA-N	408.523	3.669	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)c(C)n1-c1cccc(Cl)c1	919982128	JPWQWIRNCUCKDU-UHFFFAOYSA-N	403.891	3.798	10	20	HHCD	
O=C(OCc1nc(-c2cccs2)no1)c1cccc2c1C(=O)c1ccccc1C2=O	32849965	GORAJZRGOIXNDN-UHFFFAOYSA-N	416.414	3.931	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2)cc1	110425077	FWBXTHSKAYLHHL-DEOSSOPVSA-N	422.573	3.800	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1	437010064	NOWJFIYRKIICIE-UHFFFAOYSA-N	416.403	3.996	10	20	HHCD	
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOc2cc(N(C)C)ccc21	437011129	UOJSHKAOVOLCPU-LBPRGKRZSA-N	405.838	3.507	10	20	HHCD	
COc1ccccc1C(=O)N[C@@H](C(=O)NCc1c(C)c2ccccc2n1C)C(C)C	473284658	UZGREQZTJXDLBH-JOCHJYFZSA-N	407.514	3.566	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCN3CCc4sccc4C3)ccc21	486924459	ILSRWIWOTQFVBI-UHFFFAOYSA-N	411.571	3.754	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccc(F)c(Br)c2)c1	729052292	XCJBSLOBLALLMR-NSHDSACASA-N	411.271	3.905	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c1	729535146	LJLBIYOYWDUUNJ-VGOFRKELSA-N	418.493	3.619	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCc4c(C)cccc43)cc2F)CC1	730127057	YYFPEOLOHABYFL-QFIPXVFZSA-N	410.537	3.763	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1	730666351	AXDJGQNFZCOFSP-LLVKDONJSA-N	402.451	3.865	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3ncc(C)o3)c2)cc1	731407365	VUSSRXHLULIQML-UHFFFAOYSA-N	406.486	3.751	10	20	HHCD	
CC1(C)CCc2cc(CNCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc2O1	731676577	BGRYLHKUVNCZHD-OAQYLSRUSA-N	407.558	3.782	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccccc2SCCC(N)=O)C2CC2)cc1	731756425	QROABAZEAGBBFB-UHFFFAOYSA-N	412.559	3.917	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1ccc(F)c(F)c1	732997356	XZLYCGDNZODZIF-OAQYLSRUSA-N	401.457	3.848	10	20	HHCD	
CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(Cc1ccccc1O)C1CCCC1	733613684	HMSJIYQHIMPVBG-UHFFFAOYSA-N	424.541	3.957	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)cc1	733643886	ADAZTJLDKUVTAI-UHFFFAOYSA-N	424.545	3.949	10	20	HHCD	
CCOc1ccc(-c2noc(CCC(=O)NCc3ccc(N(C)C)cc3C)n2)cc1	734403187	XVAWDOZXKKHSIN-UHFFFAOYSA-N	408.502	3.759	10	20	HHCD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	735762912	SEWISXSABPHIGY-HFSMHLIXSA-N	404.551	3.924	10	20	HHCD	
CCn1ncc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc21	737118007	OUQZNQKKGVLVRC-UHFFFAOYSA-N	419.529	3.644	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nn2)n1	737398095	MCIJLGXINJFQQF-CALCHBBNSA-N	410.497	3.644	10	20	HHCD	
CCOC(=O)c1sc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C	738919650	WONWOTWMOFASNA-HNNXBMFYSA-N	417.531	3.953	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1	741175371	JBCFXDPYIWFGHQ-UHFFFAOYSA-N	408.523	3.657	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(N2CCNC2=O)ccc1Cl	742057915	WOCUICBZNIEOLM-UHFFFAOYSA-N	412.921	3.790	10	20	HHCD	
CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1OC	742475686	KROGYTUFWLUQFA-UHFFFAOYSA-N	413.474	3.922	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(OC4CCC4)cc3)cc2F)CC1	742645690	WOPQFBJBMPTNQG-UHFFFAOYSA-N	411.521	3.829	10	20	HHCD	
COc1ccc(O[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	745898768	BDZGDUCLDPAHNF-UTKZUKDTSA-N	414.502	3.559	10	20	HHCD	
C[C@H]1c2cccn2CCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745904095	LPMMOADEEHMAAD-HOTGVXAUSA-N	404.461	3.845	10	20	HHCD	
COc1cc([C@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)cc(OC)c1OC	746722636	WMNABEVSGXWSOO-HNNXBMFYSA-N	413.518	3.655	10	20	HHCD	
Cc1sc(=O)n(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1-c1ccc(F)cc1	746802941	GGTOPYKMWHSVGX-UHFFFAOYSA-N	417.481	3.546	10	20	HHCD	
CC[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)Oc1ccccc1Cl	748960579	OVXKABAMYMQKCU-IBGZPJMESA-N	417.937	3.833	10	20	HHCD	
CN(C)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	751342958	UHNTZQPXKKGQOC-UHFFFAOYSA-N	421.463	3.534	10	20	HHCD	
CCc1ccc(C(C)(C)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	751780790	GFKDVLMFXPDLAN-FQEVSTJZSA-N	422.573	3.685	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(CN2CCOCC2)CCCCC1	751819438	SZXUNXYGJMLJIY-UHFFFAOYSA-N	416.610	3.567	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c(C)n1-c1ccc(Cl)cc1	753710781	YFNSRFYINPBCQH-UXHICEINSA-N	420.962	3.929	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3ccc(-n4nc(C)cc4C)cc3)CC2)cc1F	753737188	BURLDRZSLDOLNI-UHFFFAOYSA-N	422.504	3.528	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccnc(Oc4ccccc4)c3)CC2)cc1F	753739644	IQMFLOYKHVWHDE-UHFFFAOYSA-N	407.445	3.984	10	20	HHCD	
C[C@H](Sc1ccccn1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	754225059	OVNJAAZLEXNPMO-OAGGEKHMSA-N	403.523	3.631	10	20	HHCD	
CC(=O)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1F	754543111	AWNNECGVQDITBH-UHFFFAOYSA-N	402.381	3.812	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](n4ccnc4)C3)c2C)cc1	754644882	SXTXZNFTVKWBKH-OAQYLSRUSA-N	420.513	3.597	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)cc1	754688280	ICBRKDASDLHJBU-UHFFFAOYSA-N	409.511	3.669	10	20	HHCD	
O=C(O)[C@H](Cc1ccc2c(c1)OCCCO2)NCc1ccc(N2CCCCC2)cc1	756386066	GMCPSMICRXEGES-NRFANRHFSA-N	410.514	3.624	10	20	HHCD	
C[C@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(Br)ccc1O	756674716	ASVSPUDRSCVCID-CMPLNLGQSA-N	411.246	3.889	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3cccn(CC(F)(F)F)c3=O)cc2)CC1	757255311	SGPDYEDKKIBKBA-UHFFFAOYSA-N	422.451	3.969	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3nnc(-c4ccccc4)s3)CC2)cc1	760197007	WYMSKIULKPNGLQ-UHFFFAOYSA-N	423.542	3.636	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H](c1cccs1)N1CCCC1	760942341	FFECWLLCGFFXPB-INIZCTEOSA-N	419.934	3.708	10	20	HHCD	
CN(C)CCOc1ccc(N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1	761222744	VELRJCNYERINPR-UHFFFAOYSA-N	409.490	3.572	10	20	HHCD	
CC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	761911187	JXXLYGKZFBGRDW-UHFFFAOYSA-N	406.935	3.962	10	20	HHCD	
COc1ccc(-n2c(Sc3ncc(Cl)s3)nnc2-c2cnccn2)cc1	765057012	XEJJPBURDGGLLU-UHFFFAOYSA-N	402.892	3.994	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1Cl	765283282	TYPBWHXSIARGEX-SFHVURJKSA-N	415.965	3.864	10	20	HHCD	
C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H](C)c1ccc(N2CCOCC2)cc1	765331506	GKSVSLLTLXDLNS-HZPDHXFCSA-N	402.926	3.640	10	20	HHCD	
CCOc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c(O)c1	767193790	XMKHLZDXTYBKNS-INIZCTEOSA-N	408.420	3.700	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cccc(C(=O)OC)n1	772205963	LFKKVQPHUWQNFS-UHFFFAOYSA-N	411.483	3.815	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773015621	QUOJLHMKGBNYCR-MRXNPFEDSA-N	417.575	3.629	10	20	HHCD	
CN(C)c1ccc(C2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1	773237570	XBVXAOAXYVJACZ-UHFFFAOYSA-N	422.573	3.678	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1-c1cccc2cccnc12	773989710	PXHSWEQPHQUFAK-OAHLLOKOSA-N	400.486	3.681	10	20	HHCD	
COC(=O)COc1c(C)cc(CNCc2cccc(Br)c2O)cc1C	775153814	UQWJVRJYRGDDCL-UHFFFAOYSA-N	408.292	3.613	10	20	HHCD	
C[C@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(N2CCOCC2)cc1	775258444	AXCOOUSLDCNFJL-HNNXBMFYSA-N	412.515	3.529	10	20	HHCD	
C[C@H]1CN(Cc2csc(NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)n2)C[C@@H](C)O1	775433029	SGRGHNMJCMUUDP-OWCLPIDISA-N	417.579	3.701	10	20	HHCD	
CC[C@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1cc(Cl)ccc1O	775503230	DSAYNBKPDVKOOX-RXVVDRJESA-N	415.965	3.984	10	20	HHCD	
C[C@H](N[C@H](c1ccc(F)cc1)c1cnn(C)c1)c1ccc(N2CCOCC2)c(F)c1	775566415	CSTJQNZMQGLTTG-QMHKHESXSA-N	412.484	3.975	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(C(=O)c4cc(F)ccc4F)CC3)cc2)CC1	775658176	FSGNVGDLZLSZKQ-UHFFFAOYSA-N	413.512	3.812	10	20	HHCD	
COC(=O)c1ccccc1-c1ccc(CNCc2ccc(N3CCOCC3)cc2)o1	775951920	SUSCSONDFKXHIU-UHFFFAOYSA-N	406.482	3.860	10	20	HHCD	
CC(C)(O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1	776036872	AMTHQWJHNCPOHM-UHFFFAOYSA-N	413.587	3.723	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	776239828	WLGIMHMZALYOKK-DBVUQKKJSA-N	416.566	3.997	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(c2ccsc2)CC1	776855978	NZDLBHDBEDZMRL-UHFFFAOYSA-N	403.523	3.813	10	20	HHCD	
CC[C@@H](C)n1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C	777947165	OZUHLCFSWMVASH-OIISXLGYSA-N	402.514	3.845	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1cc2c(cc1O)OCO2	779611518	KANCZPCTXULOIH-HXUWFJFHSA-N	421.497	3.556	10	20	HHCD	
CCC[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1	779854297	STHJYIHHASGNCP-YJBOKZPZSA-N	414.468	3.754	10	20	HHCD	
CCN1CCc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc21	783317028	SMZHUGBDUCISCL-UHFFFAOYSA-N	408.546	3.511	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3nc4ccc(OC)cc4s3)SC2=S)cn1	788678365	PNWASHMOIGURFA-VGOFMYFVSA-N	402.526	3.927	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1n[nH]c2c1CCCCC2	788885031	GVWCQAKTICNBGN-CQSZACIVSA-N	404.461	3.679	10	20	HHCD	
CCn1ccc(CN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	790218675	BZZRPHIMYWWZBQ-IAGOWNOFSA-N	402.514	3.602	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1	793752430	UQNXXYBXXBJPNI-REWPJTCUSA-N	424.541	3.805	10	20	HHCD	
CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2cc(Cl)cc(Cl)c2O)s1	796530247	SJEFYSXWCNTNHQ-DTWKUNHWSA-N	403.335	3.866	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1	797624450	FOKZTXXNXXZBCH-BBRMVZONSA-N	404.438	3.547	10	20	HHCD	
CSc1ccccc1[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	799887322	TWGBRTKXTOVFEJ-OAHLLOKOSA-N	403.523	3.945	10	20	HHCD	
COc1cccc(O)c1CNCc1ccc(I)c(Cl)c1	800293874	NQQSJVDMAWBAPT-UHFFFAOYSA-N	403.647	3.949	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCc2ccccc21	803689712	XJHKTKRMUXRCAY-QHCPKHFHSA-N	405.542	3.611	10	20	HHCD	
Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)N(C)C	806541221	GXUOQQTYRWGNFS-SKPFHBQLSA-N	424.589	3.883	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)c(O)c1	807251881	SWGZOHOWAOVAKR-KRWDZBQOSA-N	406.280	3.509	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccccn3)cc2)cc1F	810362813	WDSLIZGVRKZEPP-UHFFFAOYSA-N	420.488	3.989	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21	812650589	ZMLZYPXLEBBPJB-KSSFIOAISA-N	421.588	3.653	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(-c3ccncc3)c(C)c2)c1	815471179	YIFCUTMMAUJAAL-HNNXBMFYSA-N	405.454	3.587	10	20	HHCD	
CCCNC(=O)CN1CCC(N[C@@H](CCc2ccccc2)c2ccccc2O)CC1	815558703	LLWJXOLYHCGJFR-QHCPKHFHSA-N	409.574	3.646	10	20	HHCD	
CC(C)NS(=O)(=O)c1cccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)c1	815563467	DBLHULUVKRHRCF-ZDUSSCGKSA-N	416.465	3.949	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1C	914876375	YUGXLZFOLRUGPL-UHFFFAOYSA-N	404.513	3.945	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccnc(-n2cccn2)c1	916394129	BNQDNUMOXCVVFR-UHFFFAOYSA-N	404.518	3.599	10	20	HHCD	
CCCCc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	918295292	PYOVUPUNWKXFGA-NRFANRHFSA-N	410.514	3.881	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)[C@@H]2CCOC2)c(C)n1-c1ccc(OC(F)F)cc1	921216358	YDMXPONXBVPTRQ-LSDHHAIUSA-N	407.413	3.846	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cncc(OCC(F)F)c2)cc1	1253272957	MZRWQPUYYUURTF-IBGZPJMESA-N	419.472	3.613	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)c1	1255933255	IGGGXVOEDMYSKW-KRWDZBQOSA-N	408.951	3.787	10	20	HHCD	
CCS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	1320535583	JAOWCFCSPMTDQR-UHFFFAOYSA-N	403.548	3.989	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCc4cn(C(C)C)nc43)CC2)cc1	1325552314	HDHSPCBEYBEIOY-OAQYLSRUSA-N	411.550	3.818	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)cc1	7105416	VTTJKRLNEPUPFJ-UHFFFAOYSA-N	402.907	3.865	10	20	HHCD	
Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)n1	60106072	DFJDEYYKSQZBIE-LJQANCHMSA-N	404.514	3.817	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCN(c2nc3ccccc3o2)CC1	437009732	LDCDYUAMSCUPOW-UHFFFAOYSA-N	406.486	3.536	10	20	HHCD	
CCOc1ccccc1[C@H](CC)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	556117067	JVNWPFLPTZEUHP-IBGZPJMESA-N	407.514	3.769	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)SC2=S)cn1	726197572	UUNWWNXHMUTJOM-WENWWWKYSA-N	416.572	3.906	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)c1	726725932	IANGPGGDEHKCCG-UHFFFAOYSA-N	417.456	3.629	10	20	HHCD	
Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	726914239	GEHBKTHEGNGIQW-HNNXBMFYSA-N	411.527	3.968	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)/C=C/c3ccccc3Cl)CC2)cc1	727458273	YAKBCARQIVRPHW-NTCAYCPXSA-N	406.935	3.908	10	20	HHCD	
COc1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)ccc1C	728835619	HSKUSWMWGMOTCK-UHFFFAOYSA-N	403.482	3.748	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)c1	728978029	KOPSVVQVZMGPII-AWEZNQCLSA-N	403.500	3.960	10	20	HHCD	
Cc1cc(=O)n2nc(COC(=O)c3cc(C)n(-c4ccccc4C)c3C)sc2n1	729234830	CLSHBFLQRYVPTN-UHFFFAOYSA-N	408.483	3.532	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nc(NCc3ccco3)ncc2Cl)c1	729535872	WEUFWFRDZSXCRA-NSHDSACASA-N	402.838	3.540	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1	730123107	FGCNOMXVMHSVDK-HNNXBMFYSA-N	418.335	3.846	10	20	HHCD	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c12	731855815	BSDMJOMKEZFXTP-GOSISDBHSA-N	420.513	3.681	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](c2nnc(S)n2C)C1	732077453	LJWXHUUFFIPEDR-CQSZACIVSA-N	401.561	3.593	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cn(-c2ccccc2C(F)(F)F)nn1	733974726	LUNPGJKKLBHWFU-UHFFFAOYSA-N	413.450	3.655	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1	734005325	JKKSGAVAQMWFTF-IBGZPJMESA-N	420.479	3.845	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2	734404963	MIXONSBESCLISW-OAQYLSRUSA-N	415.946	3.960	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1	735860700	KJCVEQKCOZHRBA-UHFFFAOYSA-N	419.547	3.865	10	20	HHCD	
O=C(NCCOc1cccc(Br)c1)NCc1ccc(N2CC=CC2)cc1	740905195	BHNZMLNTQMYNIC-UHFFFAOYSA-N	416.319	3.704	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1csc(-c2cnccn2)n1	743808635	ANDRHKMFSKZTBA-UHFFFAOYSA-N	419.304	3.731	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCN(C)C(=O)OC(C)(C)C	745568224	CWBKJPZBZJBDAK-UHFFFAOYSA-N	406.571	3.930	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cn2c(C)cccc2n1	745812933	VYWFIRGVNGBADA-UHFFFAOYSA-N	417.307	3.843	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1Cl	748054052	QNXHHASIBDWFPL-UHFFFAOYSA-N	423.966	3.964	10	20	HHCD	
CC(C)CSCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	756118113	AUNNVBSVGCUNRI-UHFFFAOYSA-N	401.523	3.945	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2cc(Br)cn2C)c(C)n1-c1ccccn1	758872582	OVBOVZHXYOGUIL-UHFFFAOYSA-N	401.308	3.862	10	20	HHCD	
CN(Cc1cccn1C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	760773955	VAYZPCVPPOVZKA-VBKFSLOCSA-N	419.597	3.727	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCOc2c(Cl)cccc21	761146764	FFEQOGAMDIEZKU-HNNXBMFYSA-N	407.253	3.987	10	20	HHCD	
COc1cccc(O)c1CNC1CCN(Cc2ccc(Br)cc2)CC1	761994262	ZZTZBFDIHQYRLP-UHFFFAOYSA-N	405.336	3.918	10	20	HHCD	
C[C@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(N2CCOCC2)c(F)c1	764724249	WILPQLYWJINFBX-ZDUSSCGKSA-N	423.414	3.575	10	20	HHCD	
COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(OC)c1OC	765103358	OKVGAWZVZOYGCM-HNNXBMFYSA-N	404.482	3.539	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCN1Cc1ccccc1	765252183	IFRLTVVDZIXETR-HUVFLSCGSA-N	420.601	3.531	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1ccc(O)c(Br)c1	767095772	BQVAZENHOZWMTO-UHFFFAOYSA-N	402.339	3.593	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1	770256956	BZVIQSSSRJNHEZ-KRWDZBQOSA-N	423.479	3.601	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(OCC(F)(F)F)c1	770994444	XQFJSFSXJSULQQ-UHFFFAOYSA-N	422.447	3.766	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCOCC4)nc3C)c2C)cc1	771754262	SOZQRPKVLKTWEZ-UHFFFAOYSA-N	420.513	3.895	10	20	HHCD	
C[C@@H](NC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F)c1ccc(N(C)C)cc1	773016842	CVNHNLYRUZRZLM-CYBMUJFWSA-N	403.408	3.843	10	20	HHCD	
COc1ncc(/C=C/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cn1	775848449	JJKNIEBKAHVASH-YCRREMRBSA-N	407.401	3.600	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1)CC(C)(C)O)c1ccc(N2CCOCC2)cc1	776038841	LHKMZKRSGOOLNJ-IBGZPJMESA-N	411.546	3.567	10	20	HHCD	
COc1ccc([C@@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)O)cc1	776650184	CNNRKTKQJVHHPF-OAQYLSRUSA-N	408.454	3.667	10	20	HHCD	
CCN(CC)C(=O)COc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1Cl	779476721	VVMWEZJPYSWDKV-POHAHGRESA-N	418.877	3.650	10	20	HHCD	
O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)O[C@H]1C=CCC1	780562186	JNOSSLZJLSTOMM-FYQHACEVSA-N	424.341	3.912	10	20	HHCD	
Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	784621975	JIGHQMUPSUVWAU-GASCZTMLSA-N	402.514	3.629	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12	785295408	UVTYULJJTNAWDG-CYBMUJFWSA-N	404.422	3.683	10	20	HHCD	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1	785421833	GAAUAJDNJZDNLZ-NRFANRHFSA-N	421.566	3.839	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnn(-c2ccc(C)cc2C)c1	786278612	XVDOONRYQLCIFQ-UHFFFAOYSA-N	419.529	3.542	10	20	HHCD	
CSC1(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCC1	787395464	DBWWGFZIHJINGH-KRWDZBQOSA-N	407.580	3.720	10	20	HHCD	
CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc(N(CC)CC)cc1	788979607	ZIVWSJDANFOKOT-UHFFFAOYSA-N	407.967	3.913	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2	789381458	FJYCAQIYYRGKPY-CQSZACIVSA-N	401.532	3.597	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(C)C)c(O)c1	797389625	QOIGXGVTHUVVQA-UHFFFAOYSA-N	408.907	3.810	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCCC2)c(C)n1-c1ccc(Br)cc1	799036991	XOFKIMDZLUNLLZ-AWEZNQCLSA-N	418.335	3.597	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1ccccc1OC(F)F	801549282	IRGIWFVLUSPKRH-UHFFFAOYSA-N	406.429	3.552	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)OC)c1C	802609632	HPHJZDXLJNBVEW-UHFFFAOYSA-N	413.474	3.646	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(C4CC4)n3Cc3cccs3)CC2)cc1F	802701402	JSIPJPZEDPBYEK-UHFFFAOYSA-N	413.522	3.740	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCOC2)cc1	802761585	QVERQDICLPXDRI-HXUWFJFHSA-N	420.561	3.859	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C(C)(C)c1ccccc1	804121342	XCGKFQXDOOSVIY-GOSISDBHSA-N	420.509	3.997	10	20	HHCD	
CC(C)CN(C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCc2cccnc21	807674319	JWWINRXHPANHAR-XMSQKQJNSA-N	422.573	3.887	10	20	HHCD	
CN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCCCCC1	807769973	WKLBCIQGDBSFKD-INIZCTEOSA-N	423.504	3.554	10	20	HHCD	
O=C(NC[C@@H]1COc2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1	808370324	QZKFIZJHVVWXAV-OAHLLOKOSA-N	417.456	3.732	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H]3CCc4c3ccc(OC)c4F)CC2)cc1	808673626	QZPACQLXXWMIBX-QFIPXVFZSA-N	413.537	3.632	10	20	HHCD	
CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	809735421	GKGCBLBXVVZBQA-SFHVURJKSA-N	404.898	3.835	10	20	HHCD	
COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1	811704486	HIQWTWLHCLRCJW-UHFFFAOYSA-N	413.879	3.558	10	20	HHCD	
CC[C@]1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)OCCc2ccccc21	811926305	PFOBFWNDPZAJJA-RUZDIDTESA-N	423.557	3.543	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(C(=O)NC4CC4)cc3)SC2=S)c1	912775499	KUZXLGXAYOMSHX-LICLKQGHSA-N	424.503	3.683	10	20	HHCD	
COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1	914070035	QMTHPBMTJZPTLM-UVTDQMKNSA-N	419.553	3.772	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCNC(=O)c2ccsc2)cc1	914455133	LWIXPPYKMUGTKV-UHFFFAOYSA-N	411.527	3.756	10	20	HHCD	
COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	915780695	ZVUGKMSHDMRRAB-NRFANRHFSA-N	418.453	3.899	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1	917019404	FBAYTCFQLTXNGI-QFIPXVFZSA-N	408.590	3.607	10	20	HHCD	
COc1cccc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	918219982	FNYWOORMEZSYOV-IRXDYDNUSA-N	415.509	3.790	10	20	HHCD	
COc1ccc(CN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)cc1	920919901	GKLLVNAQMLWWFD-SFHVURJKSA-N	409.530	3.967	10	20	HHCD	
CC(C)CN1C(=O)/C(=C\N[C@H](C)c2cc(F)c(Cl)cc2Cl)C(=O)NC1=S	920980335	JFLAEQFRYJATEF-NJQKBMNKSA-N	418.321	3.566	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3/SC(=S)N(CCc4cccnc4)C3=O)cc2)cn1	1325016740	QPCBFFYMENEBRB-YBFXNURJSA-N	406.536	3.926	10	20	HHCD	
O=C(NC1CCC2(CCOCC2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1	1340110618	UOIYQGQSSWSPHH-HXUWFJFHSA-N	402.535	3.822	10	20	HHCD	
CC(C)=CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1790450856	FTNLBEKMPWQYIK-UHFFFAOYSA-N	409.486	3.987	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCCOc3cc(C)cc(C)c3)CC2)cc1	7809261	ZXYQNERMVMFGKB-UHFFFAOYSA-N	414.571	3.773	10	20	HHCD	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCc3ccc(O)c(O)c3)cc12	98074523	UVZPHQQKYQUHPQ-UHFFFAOYSA-N	411.458	3.918	10	20	HHCD	
CCN(c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1)C(C)C	116320385	TWPIOJNWXMWMHF-NRFANRHFSA-N	422.573	3.553	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)n(C)c2ccccc12	507492335	FAYKCECVXVXRRI-SFHVURJKSA-N	405.498	3.522	10	20	HHCD	
Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n(-c2ccccc2)n1	536252880	FBXCYYJKURRDQJ-UHFFFAOYSA-N	416.506	3.958	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O	725886874	RJGXJHNILSXISW-FQEVSTJZSA-N	404.466	3.514	10	20	HHCD	
COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl	726901858	FYJIFYYLCDLFAJ-UHFFFAOYSA-N	409.914	3.811	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1	728983683	CLLHSSNJHVCXCZ-NSHDSACASA-N	418.902	3.876	10	20	HHCD	
CC(=O)OCCN(C)c1ccc(/C=C2/N=C(c3c(F)cccc3Cl)OC2=O)cc1	730466858	SFAVADCGQOGHNE-LDADJPATSA-N	416.836	3.823	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)CC2)cc1	731225762	OXJCHHKPZDUVTA-DEOSSOPVSA-N	421.541	3.534	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccoc3COc3ccc(C=O)cc3)CC2)cc1	731597511	YWFOMDAJIHMSSS-UHFFFAOYSA-N	420.465	3.642	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)OC[C@H]2CCCO2)cc1	732114789	LKNHAPFHFFEXLG-WZONZLPQSA-N	412.530	3.879	10	20	HHCD	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	732202084	HAKRDDGWERFSCB-VQIMIIECSA-N	418.484	3.871	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1	734558439	UTAUQGDAMAQCHE-UHFFFAOYSA-N	418.541	3.848	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(OCC(F)(F)F)c1	734702003	OVTCXBYPWAAQKZ-UHFFFAOYSA-N	423.435	3.565	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CSc4ccccc43)cc2F)C[C@@H](C)O1	735633710	UOHHECQOXYMHOS-RKVPGOIHSA-N	400.519	3.945	10	20	HHCD	
C[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(N2CCOCC2)cc1	735680491	FWUMJJBTGVMUMU-DSKINZAPSA-N	403.567	3.725	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H](O)c1c(F)cccc1Cl	741270682	QRIBBFNESOSMBV-GOSISDBHSA-N	423.941	3.565	10	20	HHCD	
CN(c1ccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)C1CCCCC1	742416559	CHGGUJCORGLTLC-UHFFFAOYSA-N	419.525	3.758	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@@H](O)COCc1ccccc1F	743871201	WLKBJIHLIWPNKG-QGZVFWFLSA-N	412.299	3.693	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cc1F	745811449	GLMRTMDBZMZOOA-UHFFFAOYSA-N	410.534	3.774	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCCN(c4ccc(C)cc4)C3)CC2)cc1	745889982	XSNKYYMHTCVQDL-NRFANRHFSA-N	422.573	3.894	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@](C)(O)c3cccc(C(F)(F)F)c3)CC2)cc1	754848865	NBUOTNMTPRMJGI-NRFANRHFSA-N	422.447	3.660	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3ccc(F)cc3O)CC2)cc1	756495525	KNMDWHPJNQNCKC-OAHLLOKOSA-N	406.523	3.645	10	20	HHCD	
CCc1nc(CN2CCC(CN[C@@H](C)c3cc(C(=O)OC)ccc3O)CC2)cs1	756568749	IDGOUHOGHWWESP-HNNXBMFYSA-N	417.575	3.761	10	20	HHCD	
C[C@@H](NC(=O)N1CCc2c([nH]c3ccccc23)C1)c1ccc(N2CCOCC2)cc1	759316253	BGSROHYGJCRHTR-QGZVFWFLSA-N	404.514	3.833	10	20	HHCD	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1	759596597	OPPQQYIGQKHYGF-ZDWRTJATSA-N	411.454	3.910	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1	763230277	JNPNDYDMQWPYRP-GOSISDBHSA-N	419.489	3.779	10	20	HHCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCN1Cc1ccccc1	765252181	IFRLTVVDZIXETR-AGILITTLSA-N	420.601	3.531	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(N2CCOCC2)c1	765297736	PGAGLOYVQHJEKU-FQEVSTJZSA-N	409.574	3.583	10	20	HHCD	
CC(C)(C)c1nc(CN2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cs1	768867853	KAXPSOUOLNDMCB-UHFFFAOYSA-N	414.619	3.595	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnn(-c2ccccc2)c1	768912032	LTEYWWYTFPFZCR-LJQANCHMSA-N	410.905	3.626	10	20	HHCD	
O=C(NC1CCC(O)(c2cccnc2)CC1)N(Cc1ccco1)Cc1ccccc1O	771350089	LSEPUHRAGSSLFC-UHFFFAOYSA-N	421.497	3.922	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2coc(C3CCOCC3)n2)cc1	771725707	ZDLIWQBSVSQVDO-UHFFFAOYSA-N	411.424	3.839	10	20	HHCD	
CC(C)N(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccc(N(C)C)cc1	771792119	WGJKSIQRUHIDQS-UHFFFAOYSA-N	416.953	3.744	10	20	HHCD	
CCc1nn(C)c(OC)c1CNC(=O)N(Cc1ccccc1O)C1CCCCC1	772608049	BCERHNKSPPJRHB-UHFFFAOYSA-N	400.523	3.741	10	20	HHCD	
C[C@H](NCCOc1cccc(C(F)(F)F)n1)c1ccc(N2CCOCC2)c(F)c1	773113890	GQURLTUNZRDZHF-AWEZNQCLSA-N	413.415	3.806	10	20	HHCD	
COc1cccc(O)c1CNc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1	775317990	BXXZHPUTGZKQPC-UHFFFAOYSA-N	418.449	3.688	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1	775369309	NMDULYYMIGDFLT-JTQLQIEISA-N	400.809	3.945	10	20	HHCD	
CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	775775995	BFYMLEHILGVVAY-HTAPYJJXSA-N	415.509	3.580	10	20	HHCD	
C[C@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(N(C)C)cc1	775832717	ARVUPFGWZFTZIJ-SFHVURJKSA-N	412.603	3.591	10	20	HHCD	
OC[C@H](NCc1cc(Br)cc(Br)c1O)c1ccc(F)cc1	776174482	BIGDILRNTCHFOD-AWEZNQCLSA-N	419.088	3.880	10	20	HHCD	
OCCC1(CNCc2cc(Br)cc(Br)c2O)CCCC1	776220027	JQKGCWVJVHWNQS-UHFFFAOYSA-N	407.146	3.950	10	20	HHCD	
COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	776751164	PUIRUBJSZFCIPB-UHFFFAOYSA-N	409.769	3.652	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3c(N)ncnc32)c(C)n1-c1cccc(C(F)(F)F)c1	779367915	HOZQUUBPSIERRR-UHFFFAOYSA-N	414.391	3.718	10	20	HHCD	
CN(C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)C(c1ccccc1)c1ccccc1	784288732	ZQGXSJIIZFQVHT-SQFISAMPSA-N	417.461	3.902	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1	786283942	WAVDJOLHYFIRSK-UHFFFAOYSA-N	402.878	3.822	10	20	HHCD	
O=C(NCc1ccccc1O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O	788766517	VYRJKCVWVSRDKF-HNNXBMFYSA-N	408.285	3.694	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(Br)sc2Br)c(O)c1	794374543	VZBLPGFHDJPVQS-UHFFFAOYSA-N	421.110	3.917	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCc1noc(CNC(=O)OC(C)(C)C)n1	799877183	PTPRBCAVACSNGP-UHFFFAOYSA-N	401.492	3.787	10	20	HHCD	
CCCCN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1O	801595093	HJIHDWJVSLWGQQ-UHFFFAOYSA-N	415.559	3.672	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnc(C(F)(F)F)c1	809727788	WZZCAXJXWCLQOY-OAHLLOKOSA-N	413.827	3.854	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Br)nc1	810212834	FMPLUBHGKVZWMJ-CYBMUJFWSA-N	408.315	3.795	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O	811705605	XCEFKIYPZDUUNQ-UHFFFAOYSA-N	400.294	3.881	10	20	HHCD	
C[C@H]1CN(c2ccnc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)C[C@H](C)O1	813684926	REAXZKMPSAHCNA-RYUDHWBXSA-N	410.301	3.638	10	20	HHCD	
CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	914613770	UGWGMCBMSRWRGU-QGZVFWFLSA-N	405.454	3.876	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccccc2CN2CCCC2=O)cc1	916413753	KQDKJEBBFVXRMM-UHFFFAOYSA-N	422.573	3.997	10	20	HHCD	
CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	916438566	QBXBCINUSDEGGN-SCLBCKFNSA-N	407.436	3.823	10	20	HHCD	
CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cccc4c3OCCO4)SC2=S)c1	917644409	XOBBVTDEALMBPP-YVLHZVERSA-N	412.492	3.822	10	20	HHCD	
CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)c2)n1	1115990442	GASDORWKUSOERF-AWEZNQCLSA-N	424.457	3.646	10	20	HHCD	
CN(Cc1cc2ccccc2[nH]1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	1323653741	NFACQZDGUQVSKM-UHFFFAOYSA-N	410.493	3.610	10	20	HHCD	
CS(C)(=O)=Nc1ccccc1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1	1543442134	TYIDQSJVZNDJJE-UHFFFAOYSA-N	413.524	3.514	10	20	HHCD	
O=C(COC(=O)c1c(F)cccc1F)Nc1cccc2c1C(=O)c1ccccc1C2=O	11129013	SJFPBCVFPWSCDW-UHFFFAOYSA-N	421.355	3.536	10	20	HHCD	
O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O	11228408	JKGNJKKBSRABDT-UHFFFAOYSA-N	424.412	3.739	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccccc1Br	302833489	NLLSTGHEPYVYIM-MRXNPFEDSA-N	419.319	3.774	10	20	HHCD	
Cc1c(CNC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)n(C)c2ccccc12	471830036	BPKFNVNDGIKMMC-OAQYLSRUSA-N	404.558	3.851	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)n(C)c2ccccc12	472224219	MJSKTSLYASUNGB-UHFFFAOYSA-N	410.562	3.857	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ncnc3ccc(F)cc23)CC1	480853991	QWPOAMAVVKQCHA-UHFFFAOYSA-N	402.429	3.592	10	20	HHCD	
Cc1c(CNC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)n(C)c2ccccc12	556427745	STCMPQZVSQGWRQ-UHFFFAOYSA-N	420.557	3.959	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc2c1OCO2	727178110	RVIKEDAISAFHPT-AWNIVKPZSA-N	406.872	3.878	10	20	HHCD	
Cc1cc(C(=O)NCCc2nc(-c3ccccn3)cs2)c(C)n1-c1ccccn1	732092283	XEIPSGKRQUSYPW-UHFFFAOYSA-N	403.511	3.980	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](C)c3cccc(O)c3)cc2F)C[C@@H](C)O1	732885920	CKBJQWPPQCTLLI-XHSDSOJGSA-N	401.482	3.705	10	20	HHCD	
CC[C@H]1CCCCN1CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	733351634	MDGJSDVDFQBPLC-SFHVURJKSA-N	424.536	3.821	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	734526917	XMPSVRSRJDCQLS-TZIWHRDSSA-N	408.546	3.552	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)cc1F	734862327	FRLDCKYWDZCUHD-QFIPXVFZSA-N	417.525	3.992	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1	740812148	UTUMRLDKLHBLKY-UHFFFAOYSA-N	414.574	3.751	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1	742134818	GJTANMWGFGJULK-OAQYLSRUSA-N	402.498	3.723	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	743809348	UIQVTSPGTULUTI-HNNXBMFYSA-N	417.303	3.556	10	20	HHCD	
C[C@H](OC(=O)CCC(F)(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	745521436	LGJQGVYQSXKQAY-NSHDSACASA-N	419.355	3.675	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)C(F)(F)F)c2C)cc1	745619640	MZGCDYDRFDJYEF-LBPRGKRZSA-N	411.376	3.805	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1	745755470	UJBAOCGRVWIXTH-HUUCEWRRSA-N	412.372	3.807	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3coc(-c4ccccc4)n3)CC2)cc1	745796358	QGOWQSOEXZOZAF-UHFFFAOYSA-N	406.486	3.818	10	20	HHCD	
Cc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905765	QUTJGJISFFDIDF-JXFKEZNVSA-N	419.472	3.598	10	20	HHCD	
COc1ccc(N(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC(C)C)cc1	746170112	NCIYCGSPBFLANT-QFIPXVFZSA-N	400.494	3.897	10	20	HHCD	
Cc1nc(-c2ccccc2)oc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	746281060	YXTYVMQGNWGQFF-UHFFFAOYSA-N	405.498	3.789	10	20	HHCD	
CN(Cc1cccs1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748025511	YZAPCNVELSKTEJ-UHFFFAOYSA-N	408.526	3.588	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)o1	748091602	FBOQPLQRSLCTTE-UHFFFAOYSA-N	406.485	3.997	10	20	HHCD	
Fc1cc(CNC(=S)NC23CC4CC(CC(C4)C2)C3)ccc1N1CCOCC1	750993738	DDIZBXBVKSOYST-UHFFFAOYSA-N	403.567	3.595	10	20	HHCD	
O=C(CN1CCC[C@H]1c1ccccn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	751483701	SFEJIGBHMFCFMZ-QFIPXVFZSA-N	411.461	3.633	10	20	HHCD	
CC[C@](C)(COc1ncccc1Cl)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	752854616	KMFXVAUMAIKFMS-JOCHJYFZSA-N	418.969	3.597	10	20	HHCD	
COc1ccc(CCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(OC)c1	754092221	PHERGOJEZOFKJI-NRFANRHFSA-N	413.514	3.940	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)[C@H]3CCNC(=O)C3)n2)c(C)n1-c1ccc(F)cc1	754256159	QHTLJZHWZAOBCT-AWEZNQCLSA-N	412.490	3.821	10	20	HHCD	
C[C@@H](NCCc1ccc(OCCN(C)C)cc1)c1ccc(Br)cc1O	756550381	RDISISLOXVOELE-OAHLLOKOSA-N	407.352	3.988	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C)c2NC(=O)c2ccncc2)c1	761974139	URYCYUOPEZKOLP-OAHLLOKOSA-N	405.454	3.848	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3COc4ccc(Cl)cc43)CC2)cc1	762060326	ITHPNDROLGGUMV-LJQANCHMSA-N	401.894	3.750	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C	762761140	NGDSMPGHLOGYEA-VSKRKVRLSA-N	417.594	3.955	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@@](=O)C[C@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	763876955	IULQVMOFKDCRRM-IZPCHGGPSA-N	424.513	3.579	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1	769785037	GEDRYXHSDBXFCO-IBGZPJMESA-N	413.499	3.612	10	20	HHCD	
COc1ccc(N2CCN(Cc3nnc(-c4ccc(Cl)cc4)n3C)CC2)cc1F	770654557	DLTIEWSWCJAJID-UHFFFAOYSA-N	415.900	3.605	10	20	HHCD	
CC(C)OC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1	770809280	YKVBZPUDKVRNFI-FQEVSTJZSA-N	410.474	3.693	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2	773766123	GIQVRIPVEWPSNE-AWEZNQCLSA-N	412.486	3.710	10	20	HHCD	
C[C@@H](NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1ccc(N(C)C)cc1	775832078	XDGLJLRLBQWFLD-UZLBHIALSA-N	406.486	3.967	10	20	HHCD	
Cc1csc2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(=O)n12	776301150	QCYOUZZDHZVRRH-UHFFFAOYSA-N	422.510	3.566	10	20	HHCD	
CCN(CC)c1ccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1F	777220552	SVZNIQKRIXNCGJ-UHFFFAOYSA-N	417.476	3.864	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	777267140	RULICRVVXRDJAS-QUCCMNQESA-N	418.582	3.930	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	778674166	KOOWKAKETHLOHA-HKUYNNGSSA-N	414.550	3.508	10	20	HHCD	
CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)/C=C\c1ccc(O)c(O)c1	779519423	DEXZACGEXZOQMW-YWEYNIOJSA-N	421.453	3.667	10	20	HHCD	
COc1ccc(C[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	781149191	LKKNPYZYWMBVFK-ZWKOTPCHSA-N	412.530	3.596	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2c(F)cccc2F)C2CC2)cc1	788940265	QCXPMUYAUXVUMS-UHFFFAOYSA-N	415.484	3.618	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1C	789726396	GOZPLVKBNJUGLF-UHFFFAOYSA-N	420.560	3.953	10	20	HHCD	
COc1ccc(CNC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c(O)c1	792841170	KCKSOBCIDIUJET-UHFFFAOYSA-N	404.894	3.602	10	20	HHCD	
Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(I)cc2)c(O)c1	793567734	JAPYNQLKBFBRBS-GFCCVEGCSA-N	410.255	3.595	10	20	HHCD	
COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1ccc(N2CCCCC2)cc1	796407000	JWHWQONEXNXXEU-UHFFFAOYSA-N	415.559	3.738	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@](C)(O)c3ccco3)cc2Cl)C1	799994877	UKQALRSMQIAAHI-YCRPNKLZSA-N	405.926	3.876	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCCc3sccc32)cc1F	804382077	WZLIZQZXHWVQHP-KRWDZBQOSA-N	403.523	3.543	10	20	HHCD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)s1	808529654	OOEUUCLWJCBGHF-UHFFFAOYSA-N	414.921	3.679	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@H](C)c3cc(Cl)cc(C)c3O)C2=O)c(OC)c1	808717814	JGHGUXVMTBWRJR-AUUYWEPGSA-N	418.921	3.823	10	20	HHCD	
CN(CCn1cc(Br)cn1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	809792568	AWAIIAJGZIGHHF-UHFFFAOYSA-N	422.327	3.676	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(Cn4ccc5ccccc54)n3C)CC2)cc1	809866240	OOLHLWLBMCKAQY-UHFFFAOYSA-N	416.529	3.543	10	20	HHCD	
COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1	811704950	HVRYDBVLOIIGNN-UHFFFAOYSA-N	413.879	3.558	10	20	HHCD	
CC1(C)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H]1[C@@H]1CCCO1	812024280	KTEOZOWOGAVSCT-OALUTQOASA-N	423.504	3.856	10	20	HHCD	
CC(C)OCc1nc([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1	812645263	VHKIDTCHWMQXMQ-MRXNPFEDSA-N	403.527	3.742	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1OCCc2sccc21	815860426	KWWTZFFUMDSQPU-WJPUGNRLSA-N	401.528	3.911	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2	818882216	NZFDLRWLKMILAU-YRNVUSSQSA-N	414.461	3.882	10	20	HHCD	
CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc2)cc1	916617233	JJAGVBYLASIOMJ-UHFFFAOYSA-N	406.390	3.730	10	20	HHCD	
COc1ccc(N(CC(=O)NCCCN2CCCCCC2=O)Cc2ccccc2)cc1	917085211	FWWHHDGMYFMVMX-UHFFFAOYSA-N	423.557	3.611	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)C1	917832545	AESWTBMTEUHGRM-OOTRUBSTSA-N	409.574	3.611	10	20	HHCD	
CCOC(=O)Cc1nnc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)s1	1116369805	FDLSYLSJCVDGSM-UHFFFAOYSA-N	418.906	3.957	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(Br)cn3CC)CC2)cc1	1116421791	WRDXKDVVUUMORU-UHFFFAOYSA-N	406.324	3.632	10	20	HHCD	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1319716484	UZIGMMQPDUDHPY-JYRCXFKTSA-N	403.567	3.508	10	20	HHCD	
COc1cc(C(=O)Nc2c(Cl)ccc3nonc23)cc(OC)c1Br	1322264859	ZSPBMKZIUYZPGT-UHFFFAOYSA-N	412.627	3.908	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1	6912068	UBVVUFOGVJGQNF-UHFFFAOYSA-N	410.905	3.805	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)COc2ccc(N3CCCC3=O)cc2)cc1	9932587	KIIQXZCYJHJNMN-UHFFFAOYSA-N	409.530	3.697	10	20	HHCD	
Cc1nn(C)c(Cl)c1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	14364846	CCBCEXDXCVNMEV-UHFFFAOYSA-N	403.841	3.968	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(-n4cncn4)cc3)c2C)cc1	108612985	BZZKSKSLQLDJPV-UHFFFAOYSA-N	401.470	3.613	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cc2F)CC1	303291668	LBQFIQRQSMOXFV-UHFFFAOYSA-N	423.454	3.845	10	20	HHCD	
Cc1c(NC(=O)NCc2c(C)c3ccccc3n2C)cccc1C(=O)N1CCOCC1	471252850	ULGQJQMHIQGYSK-UHFFFAOYSA-N	420.513	3.589	10	20	HHCD	
CCCc1cc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n2ncnc2n1	726594095	IBVDFBWFZMHYDP-UHFFFAOYSA-N	402.449	3.759	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNc2cnn(CC(=O)NC3CC3)c2)cc1	727470569	CWCRWZVTVWCVBT-UHFFFAOYSA-N	403.530	3.800	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)ccc21	728459555	YQGLSSGQGZMCRE-UHFFFAOYSA-N	415.440	3.551	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	730207122	IOFVBFPEMZNSID-IBGZPJMESA-N	409.505	3.828	10	20	HHCD	
Cc1cc(C(=O)NCCCN2CCCN(C)CC2)c(C)n1-c1ccc(Cl)cc1	733978557	FMNJYLWYMBUGFX-UHFFFAOYSA-N	402.970	3.505	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(C(C)C)C2=O)c(C)n1-c1cccc(Br)c1	734137414	XCSMETOBEUOKNG-GOSISDBHSA-N	418.335	3.596	10	20	HHCD	
CCOC(=O)c1sc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1C	738917011	CCPWUWBBZUJIFD-UHFFFAOYSA-N	417.531	3.734	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1	740646663	WKFUFRWOZDHYME-UHFFFAOYSA-N	424.513	3.730	10	20	HHCD	
CN(c1ccc(CNC(=O)CN2C(=O)CCOc3ccccc32)cc1)C1CCCCC1	742416759	MZUIGBFGWKKDBJ-UHFFFAOYSA-N	421.541	3.887	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)Sc1ccccc1	743691073	HHPHRELAMHOIPI-INIZCTEOSA-N	417.550	3.767	10	20	HHCD	
C[C@@H](c1cccc(O)c1)N(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	744402682	POBMNCUVLNKJRH-HNNXBMFYSA-N	414.461	3.799	10	20	HHCD	
CC[C@H](C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1CCCC1=O	745695009	ALNDYJOCNYYKML-LJQANCHMSA-N	408.458	3.985	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC[C@H]1c1nc2ccccc2n1C	749299256	VDCZRAAMXLMGFL-QHCPKHFHSA-N	419.573	3.825	10	20	HHCD	
CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	751227951	NXNVTRLQZGJSAR-UHFFFAOYSA-N	420.550	3.563	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccccc3NCc3cccnc3)CC2)cc1	751354842	XIDMDTAZBNCNDQ-UHFFFAOYSA-N	402.498	3.665	10	20	HHCD	
O=C(NCc1ccc(COC2CCOCC2)cc1)NCc1c(O)ccc2c1CCCC2	752211537	VVKDGYZQMRVJHD-UHFFFAOYSA-N	424.541	3.966	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCN(c2ccccc2)C1=O	752863436	MBXPXAFQYMYMSN-JOCHJYFZSA-N	406.530	3.624	10	20	HHCD	
COc1ccc(C(=O)CCCC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753741002	ARLWIYFTWDZPHF-UHFFFAOYSA-N	414.477	3.545	10	20	HHCD	
COCCCOc1ccccc1NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753880507	HHCHJEJTRPCGNA-UHFFFAOYSA-N	417.481	3.604	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3cccc(Br)c3)CC2)cc1F	753885198	INOZAZKZJJWHBS-UHFFFAOYSA-N	422.298	3.629	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CCOCC1)c1cc(Br)c(F)cc1O	756361751	HWPONEDBQOSVBU-CQSZACIVSA-N	423.326	3.977	10	20	HHCD	
CC(=O)N1CCN(c2ccc(OC[C@@H](O)c3ccc(Cl)cc3Cl)cc2)CC1	759068878	JBWZZTXLMXDLQF-HXUWFJFHSA-N	409.313	3.774	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1ccccc1Cc1ccccc1	759589339	RMRMOPRMTIXURU-ACCUITESSA-N	403.434	3.884	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cncc(-c4ccc(N(C)C)cc4)c3)CC2)cc1	760265270	QJBWNIUFFDTTOX-UHFFFAOYSA-N	416.525	3.786	10	20	HHCD	
CC(=O)N(CCc1ccccc1)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	761228651	GBXIJCRZCSYOSK-UHFFFAOYSA-N	407.558	3.727	10	20	HHCD	
CCc1nnc(O)c(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1CC	762985656	UHFWWWSYUMUXBP-UHFFFAOYSA-N	408.502	3.653	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2cccc(Br)c2O)ccc1Cl	765233131	FCTWADBDIVUFJM-UHFFFAOYSA-N	413.655	3.916	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1	768274579	GERAHBFWZNEVOT-ZFWWWQNUSA-N	408.420	3.871	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2cccnc2)c(C)n1-c1ccc(Br)cc1	772511448	VVGYHCZLMSTPIY-LJQANCHMSA-N	414.303	3.715	10	20	HHCD	
CS[C@@H]1CCCCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1	772589933	HSWFXZZSRDUXEY-JFIYKMOQSA-N	409.571	3.866	10	20	HHCD	
COc1ccc(-c2ccncc2)cc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O	773909285	PJXOXWPPJVJHSC-ATVHPVEESA-N	414.508	3.823	10	20	HHCD	
Oc1ccc(-c2ccccc2)cc1CNc1cnn(Cc2nnc3n2CCCC3)c1	775029534	OZUNCAVIUDVLPM-UHFFFAOYSA-N	400.486	3.844	10	20	HHCD	
COc1cc(-c2noc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)ccc1C	775257005	CNCXGKXIGOYQSD-KRWDZBQOSA-N	408.502	3.741	10	20	HHCD	
O=C(NCCCNCc1cc(Cl)cc(F)c1O)c1cccc(Br)c1	776150872	AZMFXVQAVXDVEU-UHFFFAOYSA-N	415.690	3.857	10	20	HHCD	
COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1	777666017	UCYBZAGGYUWPQY-UHFFFAOYSA-N	423.541	3.779	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	778252052	DVLWZSGLQJARLK-ZSOFBXJNSA-N	406.473	3.969	10	20	HHCD	
CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)/C=C\c1ccc(O)c(O)c1	779529310	NXYVDSSVTJFPSK-XFFZJAGNSA-N	410.470	3.775	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cc4[nH]ccc4cc3C)CC2)cc1	782088034	PHGRPXXUJNVTOM-UHFFFAOYSA-N	421.545	3.819	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	782625810	ZZYHVYSAAGXMQX-DMPWYTOCSA-N	404.457	3.581	10	20	HHCD	
Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784060965	LQISYQZBNAYJJI-UHFFFAOYSA-N	411.550	3.895	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC(OC[C@H]4CCOC4)CC3)cc2)CC1	784306005	KQDXYZGTTZFFCP-NRFANRHFSA-N	415.578	3.650	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](C)c2nncn2C)c(C)n1-c1cccc(Br)c1	787970514	XOEYSUJTOBJMCD-GFCCVEGCSA-N	416.323	3.519	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1ccc(N(CC)CC)cc1)[C@H]1CCCc2cccnc21	788939749	NFIANCAUJPFMEX-QFIPXVFZSA-N	422.573	3.860	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@H](C)OC3(CCOCC3)C2)c(C)n1-c1cccc(F)c1	790366177	FFMHPQSDSNKBQP-KRWDZBQOSA-N	400.494	3.686	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCc2ccc(F)cc21	792834311	GRRNRJCELZUQDR-FQEVSTJZSA-N	401.457	3.678	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O	797997382	KVPSMYPIKRRQIK-AUUYWEPGSA-N	409.935	3.821	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)cc1	798087563	LPEWIBSDXUVRJE-FXAWDEMLSA-N	419.447	3.937	10	20	HHCD	
CC(C)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)no1	800637184	UWKQVEAFRUBSHB-AWEZNQCLSA-N	418.925	3.943	10	20	HHCD	
CCCCN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccccc1O	801594852	APQGHVIYHSEZRB-UHFFFAOYSA-N	403.910	3.775	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(OC2CCCCC2)cc1	804109832	BPJPEGLVQKONEQ-UHFFFAOYSA-N	423.557	3.739	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl	807103904	XFMLGBWPKXQBTR-ZDUSSCGKSA-N	408.329	3.861	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cnn3ccccc23)cc1	807464603	JKQNGBYUJIIQPF-UHFFFAOYSA-N	403.486	3.905	10	20	HHCD	
O=C(NCC1(Cc2ccccc2)CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	807669093	CCOLCYUUTUFQQG-UHFFFAOYSA-N	418.493	3.653	10	20	HHCD	
Cc1nn(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)c1ccc(F)cc1	808576346	WCQUBENNSLFRND-UHFFFAOYSA-N	407.854	3.553	10	20	HHCD	
COc1ccc(O)c(CNc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c1	809680446	VTCYDUMKQDXWAY-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cn2ccnc12	815590607	BUSBADCKGKRCTQ-KRWDZBQOSA-N	413.481	3.958	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2C)cc1	906463563	FCIWVDODVKGVEA-UHFFFAOYSA-N	415.496	3.673	10	20	HHCD	
CCn1nccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	914436761	DSZREAXQRDTMCZ-QBFSEMIESA-N	406.558	3.585	10	20	HHCD	
Cc1cc(CCNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c(C)n1-c1ccccc1	915262005	OMJBTANJNOHREV-JOCHJYFZSA-N	422.573	3.681	10	20	HHCD	
CC(=O)c1cc(CN(C)Cc2cccc(Cl)c2)c(O)c(CN2CCOCC2)c1	915825567	CAQKHLDOTHDMKL-UHFFFAOYSA-N	402.922	3.712	10	20	HHCD	
O=C(NCc1cccc(CN2CCCC2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	916402525	SRVNZAARNSDHKI-HSZRJFAPSA-N	423.557	3.879	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)[nH]c2c1C(=O)CC(C)(C)C2	917386943	QLFDRNWFEZXNQH-UHFFFAOYSA-N	411.571	3.961	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cccc([N+](=O)[O-])c1	917925800	MZHUKYBUPFRDER-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
Cc1ccc(C)n1-c1nc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cs1	920881663	KGRBTMAZHCTCQW-GOSISDBHSA-N	424.570	3.807	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cnn(-c2ccccc2)c1	921069130	QSPWQXWODFMNAS-UHFFFAOYSA-N	410.543	3.683	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)cc2F)CC1	1319841804	XALBAEJTPOVWNZ-XUZZJYLKSA-N	415.528	3.805	10	20	HHCD	
C[C@]1(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)CC=CCC1	1788429341	ILZOORLFLKDBAR-QHCPKHFHSA-N	421.497	3.987	10	20	HHCD	
COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)Cc2cccs2)cc1	57644919	JRTOMTRBKAANNC-UHFFFAOYSA-N	410.495	3.808	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(Br)cnc3Cl)CC2)cc1	110426520	PABRBZSYVISVJV-UHFFFAOYSA-N	424.726	3.905	10	20	HHCD	
CCOC(=O)C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1	140887149	VIORTCMYPAMHGK-NRFANRHFSA-N	413.493	3.920	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	236966945	WFFMRSDNJRYDAW-UHFFFAOYSA-N	401.576	3.607	10	20	HHCD	
CCOc1ccc2cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)[nH]c2c1	303040951	WEHVLLIFVCBCOS-UHFFFAOYSA-N	407.514	3.705	10	20	HHCD	
CC(C)COc1ccc(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	303321697	RJECKTSDMIANBW-UHFFFAOYSA-N	414.521	3.681	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CCCCCNC(=O)NC3CCCCC3)ccc21	303658883	VYCQQWJJDBTJSE-UHFFFAOYSA-N	414.594	3.878	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1c(Cl)cccc1Cl	437341755	HRNHQLXLBFBCNQ-UHFFFAOYSA-N	401.315	3.788	10	20	HHCD	
NS(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(C(F)(F)F)c1	461448719	ZWVSYYNQAZOQKH-UHFFFAOYSA-N	422.432	3.523	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3n[nH]c(-c4ccccc4OC)n3)ccc21	486897530	CPSCKOTXBXRMCE-UHFFFAOYSA-N	419.485	3.951	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c(F)cccc1F	726603017	AGSYVKZNIMSVQC-UHFFFAOYSA-N	418.412	3.514	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)cc1	726695543	XLIQAKURRFCUIU-UHFFFAOYSA-N	408.502	3.613	10	20	HHCD	
COCCCN1CCC(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	727105407	AMSPYBGESPHKHS-UHFFFAOYSA-N	403.954	3.978	10	20	HHCD	
COCCN1CCC[C@@H](NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	729983735	QMHDLQPQBFENQL-HXUWFJFHSA-N	403.954	3.517	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3nc(C(F)F)nc4ccccc34)cc2)C1	731206237	CDYOOVAXNLZRKA-OAHLLOKOSA-N	411.456	3.881	10	20	HHCD	
COc1cccc(C2(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)CCCC2)c1	731264050	KOJDPAAPIOFSOX-UHFFFAOYSA-N	424.541	3.775	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1	731282849	YEEZAYAKSMZRJL-UHFFFAOYSA-N	409.530	3.927	10	20	HHCD	
COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C\c2cccnc2)cc1	732087501	ALNURTLNWXAJBB-KAMYIIQDSA-N	415.493	3.739	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCOC[C@@H]2CCCO2)cc1	732114627	JBWYPMWUXXIAEM-QHCPKHFHSA-N	412.530	3.880	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	733880486	LHXRXEMPLHKDBY-HNNXBMFYSA-N	423.991	3.947	10	20	HHCD	
COc1cc(OC)c2cc(C(=O)NCCCSc3nccs3)[nH]c2c1OC	733974016	DCNDUUDGUBWYQO-UHFFFAOYSA-N	407.517	3.562	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cn3cc(-c4ccccc4)cn3)cc2F)C[C@@H](C)O1	735980416	ZFWYRQHYUYYHPZ-QZTJIDSGSA-N	422.504	3.619	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(OC4CCCC4)cc3)c2)CC1	739764539	ARQZSOFAQLYUMF-UHFFFAOYSA-N	407.514	3.962	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCO[C@H](C(F)(F)F)C1	740507366	NRWMVSMTFFWOMP-INIZCTEOSA-N	406.364	3.830	10	20	HHCD	
COc1cc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)ccc1OC(F)F	740904004	YZKXXIVAJXPGOP-UHFFFAOYSA-N	403.429	3.672	10	20	HHCD	
CSc1nc2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cc2s1	741097049	JJSDTBTZZUBQCI-UHFFFAOYSA-N	424.551	3.649	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2ccnn2Cc2cccs2)C(C)C)cc1F	741780869	WZKRNEQBFOZFEI-UHFFFAOYSA-N	402.495	3.994	10	20	HHCD	
Cc1ccccc1CS(=O)(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742334270	IXDFGYXOTUOGIA-KRWDZBQOSA-N	410.486	3.685	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H]3c3ccc(C)cc3)CC2)cc1	742939931	MPIZADWESWZZCK-DEOSSOPVSA-N	422.573	3.672	10	20	HHCD	
Cc1ccc(N2CC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2=O)cc1	745855958	BMMOSGFJBIKCCA-JOCHJYFZSA-N	406.530	3.541	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3ccc(OC)c(OC)c3)CC2)cc1	746046375	YIMBXDWZAIOQBX-LJQANCHMSA-N	413.562	3.575	10	20	HHCD	
COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2ccc(N(C)C)c(F)c2)cc1OC	747439555	DJHAXJZMXMHNBS-NRFANRHFSA-N	413.493	3.857	10	20	HHCD	
CC1CCN(c2ccc(NC(=O)C(=O)NCCCSc3nccs3)cc2)CC1	749730991	IGKACMRUAXXOKL-UHFFFAOYSA-N	418.588	3.617	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1O	750817765	TWDRSNVIMMTFKG-UHFFFAOYSA-N	424.394	3.711	10	20	HHCD	
C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	751406671	REFXFQORFHGVEH-FXAWDEMLSA-N	400.494	3.867	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Br)c1	755178976	HFBWWZFCWZTFLN-UHFFFAOYSA-N	421.310	3.788	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CSCCS1	756064983	XXMQEKUWPYCNEC-ZDUSSCGKSA-N	405.383	3.535	10	20	HHCD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H](C)c3cc(F)ccc3O)cc2)C1	756430836	LLUVQOOCAUXTCH-JKSUJKDBSA-N	406.523	3.803	10	20	HHCD	
CCc1cc(N2CCC(N[C@@H](C)c3cc(Br)cc(F)c3O)CC2)ncn1	756639561	ZPFGTCYTEWYTNC-LBPRGKRZSA-N	423.330	3.966	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC(OC(C)(C)C)CC3)cc2F)C[C@H](C)O1	759311825	ACBFUALWQQSOBB-IRXDYDNUSA-N	421.557	3.928	10	20	HHCD	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCCCSc1nccs1	759591888	UBVLUYRZICUMPU-CQSZACIVSA-N	402.549	3.609	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(OCC(F)F)n1	760642988	MJOPCMLKSFOLRU-UHFFFAOYSA-N	415.234	3.856	10	20	HHCD	
CCN(CC)c1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1	761220189	VTHPCFPUEVKCQY-UHFFFAOYSA-N	413.562	3.881	10	20	HHCD	
CCC(CC)[C@@H](C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	761382481	WWVHEWZLPCQUKE-QGZVFWFLSA-N	413.541	3.631	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1noc(-c2ccccc2)n1	761799451	PJSAHAVJOWQQRU-VQIMIIECSA-N	422.485	3.894	10	20	HHCD	
O=[N+]([O-])c1cc(CNCc2cccnc2OCC(F)F)ccc1N1CCCCC1	763528435	UIONZUSFAPKOOP-UHFFFAOYSA-N	406.433	3.914	10	20	HHCD	
C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc(N2CCOCC2)cc1	765281547	ISRAFLSXRBBPLY-SFHVURJKSA-N	415.965	3.703	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)c1	765677772	HVYGHUXEFHIWBZ-IAGOWNOFSA-N	415.509	3.756	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C1CCC(NC(=O)C2CCCC2)CC1	765735292	GCQOFTPCVGJDPS-UHFFFAOYSA-N	423.351	3.636	10	20	HHCD	
COC[C@H]1CCCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	768384672	PBUBDGHPOJIODX-IRXDYDNUSA-N	411.493	3.715	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cccc(F)c43)cc2F)C[C@@H](C)O1	769033267	LORGLSPOMFYULQ-GASCZTMLSA-N	401.457	3.851	10	20	HHCD	
CCOc1cccc(CN2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)c1O	769499855	RRYHXDIXPLHBBR-INIZCTEOSA-N	402.922	3.720	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(C[C@@H](C)CC(C)(C)C)n3)CC2)cc1	771080514	CBFWUMTXAJSNNA-QGZVFWFLSA-N	414.550	3.584	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2cccc3c2OCO3)cc1	771290098	OQYVFZMNYIVSDG-NRFANRHFSA-N	410.514	3.622	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1CC	775138601	OUDQKYAZUWBXSF-OAQYLSRUSA-N	410.514	3.663	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)c1	776023329	FZUVYRBJXBQPPN-SNVBAGLBSA-N	417.359	3.958	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776236785	BITSLVYIIBUCTQ-IRXDYDNUSA-N	404.555	3.712	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1ccc(-n2cnnn2)cc1	777823905	ZKQRPASUJQOTTR-GOSISDBHSA-N	413.481	3.700	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccccc2Cn2cncn2)c1O	779002541	ISFQAIGHCAGLQR-CQSZACIVSA-N	401.308	3.954	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F	779513411	GZJKTWCGZHDMDR-POHAHGRESA-N	408.433	3.874	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(Br)c1	784025741	KGYFYCLMOBAINR-UHFFFAOYSA-N	405.292	3.840	10	20	HHCD	
CCc1ccc([C@@H](NC(=O)C(=O)NCCCSc2nccs2)C(C)C)cc1	785492606	DDKKPWSNROUJBV-KRWDZBQOSA-N	405.589	3.817	10	20	HHCD	
CCOc1ccccc1[C@@](N)(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F	788003257	ILQVWGAOPFJMHJ-JLTOFOAXSA-N	409.452	3.745	10	20	HHCD	
CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788934056	ZZDWGJVMSRCPNJ-LJQANCHMSA-N	423.557	3.705	10	20	HHCD	
COC(=O)c1csc(-c2cccc(CNC(=O)N(C)Cc3ccccc3O)c2)n1	790621173	NSZOLGLNUQCJTN-UHFFFAOYSA-N	411.483	3.644	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnc(C)c(C(=O)OC)c3)n2)s1	794018765	ZNAPMBQVKYBLJX-UHFFFAOYSA-N	423.541	3.725	10	20	HHCD	
COc1ccc(CNS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c(O)c1	795358716	UHTLTSAEOANTLC-UHFFFAOYSA-N	410.904	3.656	10	20	HHCD	
C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	796812755	BHSPBDZJTIVRMA-KRWDZBQOSA-N	409.505	3.694	10	20	HHCD	
C[C@H](CCc1cccn1C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803678172	ZTMUTCUKKFVQAR-LJQANCHMSA-N	424.589	3.548	10	20	HHCD	
COc1cc(C)c(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)c1C	806763143	MLNQWXZVHSWGIF-LJQANCHMSA-N	424.545	3.644	10	20	HHCD	
O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1cc(Cl)cc(Cl)c1O	807835214	AFHCLHPAHQPCJK-UHFFFAOYSA-N	410.253	3.750	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(Oc4cccnc4)cc3)CC2)cc1	809199845	ARIIMCJKVSNIPA-UHFFFAOYSA-N	418.497	3.643	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)C2CC2)cc1	914758728	NMPOMSFJWIVHKH-MRXNPFEDSA-N	413.468	3.575	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cccc2c1OCCCO2	916835758	YNSZMVKFLHOWIJ-UHFFFAOYSA-N	422.447	3.993	10	20	HHCD	
CCC(CC)[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)N1CCCC1	918202113	JTNZOXQXOBBGJX-QFIPXVFZSA-N	418.651	3.940	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC(F)F	918207004	PQUMPPCOYKBYED-AWEZNQCLSA-N	423.435	3.824	10	20	HHCD	
CCOC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	918291657	VDKPSJVOJOGDSV-UHFFFAOYSA-N	408.458	3.842	10	20	HHCD	
CCCOc1cc(C)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	918457422	SHVNOFTXBBYOKD-UHFFFAOYSA-N	409.530	3.980	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)ccc1OC(F)F	920473379	TXACDVILAVKWJM-XNTDXEJSSA-N	414.499	3.592	10	20	HHCD	
O=C1NCCN(Cc2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(Br)cc1	1116878943	JQTHYKYABMZSOM-HXUWFJFHSA-N	414.347	3.722	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C)nc3Cl)cc2F)CC1	1123430183	XUSCIZLOJFJSIJ-UHFFFAOYSA-N	405.905	3.646	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)c1	1318272194	OSESEJUILYFTCA-OAHLLOKOSA-N	417.469	3.695	10	20	HHCD	
CCOC(=O)[C@@H](NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)C1CCOCC1	1320252478	OYGCKUPLSZGODD-FQEVSTJZSA-N	418.921	3.836	10	20	HHCD	
CN1CCN(c2ccc(CNCC(C)(C)N3CCc4ccccc4C3)cc2F)CC1	1321654910	UXSSPUIDFWNDOY-UHFFFAOYSA-N	410.581	3.504	10	20	HHCD	
Cc1c[nH]cc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1845398662	NSANURJTRSINKZ-UHFFFAOYSA-N	416.525	3.861	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N[C@@H](c3ccccc3)C3CC3)sc2n1	28775815	GCWOOPMQDCBYHZ-IBGZPJMESA-N	409.511	3.920	10	20	HHCD	
CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)cs3)ccc21	302812229	JHPGUJBRZGRETH-UHFFFAOYSA-N	413.524	3.828	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl	302833705	PTRPSFORYCQELY-INIZCTEOSA-N	419.865	3.574	10	20	HHCD	
CN(Cc1ccccc1O)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1	303418835	XHTYUHADVIPYMY-HSZRJFAPSA-N	404.466	3.610	10	20	HHCD	
CCN(Cc1nc(O)c2ccccc2n1)C(=O)NCc1c(C)c2ccccc2n1C	472236267	AEJYTIPDIXPVOQ-UHFFFAOYSA-N	403.486	3.867	10	20	HHCD	
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	726097970	RVRHICKMWWRFLY-HXUWFJFHSA-N	416.566	3.828	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c(O)c1O	727005212	KXFYQPZFNOCRGA-UHFFFAOYSA-N	423.469	3.685	10	20	HHCD	
COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c1	727247200	RCWLIMHUHPDYCD-UHFFFAOYSA-N	400.528	3.829	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCNc2ccc(C(F)(F)F)cn2)c1	728946222	DZSSQGYZRNIAHY-GFCCVEGCSA-N	412.412	3.677	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1	728947431	WEUGMCIPXVTRIZ-OAHLLOKOSA-N	401.482	3.565	10	20	HHCD	
CC(=O)Nc1c(C)cccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	729360216	ONUWDQUZEKGYRR-UHFFFAOYSA-N	417.456	3.954	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCN(C)C(=O)OC(C)(C)C	729611198	KIZBBRVPFOKPEC-UHFFFAOYSA-N	404.555	3.685	10	20	HHCD	
CC1(C)Cc2cc(/C=C3\SC(=S)N(c4ccc(C(N)=O)cc4)C3=O)ccc2O1	729687981	MHMXBLBRUKYPNE-YVLHZVERSA-N	410.520	3.905	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)c1O	729858720	BIHSOXMNFDZILE-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
CC(C)OC1CCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	730571529	WAKWWZHKFMUINW-MRXNPFEDSA-N	420.509	3.678	10	20	HHCD	
Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731014625	CNHUJAAXYQNAGM-UHFFFAOYSA-N	421.545	3.537	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(OCCNCc3c(O)cccc3OC)c2)cc1	732230679	ZKGXDCIHHLJBQU-UHFFFAOYSA-N	422.481	3.830	10	20	HHCD	
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ccc(N2CCCC2)cc1	732241543	LTPIBDDRIDEDRK-UHFFFAOYSA-N	422.573	3.761	10	20	HHCD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1	732250131	WTIZDTDHSNMGLY-LJQANCHMSA-N	416.610	3.864	10	20	HHCD	
O=C(NCCCSc1nccs1)C1CCN(c2nc3ccccc3o2)CC1	733974034	DNKPSLTUKNIXAS-UHFFFAOYSA-N	402.545	3.799	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3F)CC2)cc1	734866560	CIWPTWIMHIINSQ-FXAWDEMLSA-N	401.457	3.798	10	20	HHCD	
O=C(NCc1ccc(NC(=O)c2ccco2)cc1)NCc1ccc(N2CC=CC2)cc1	740680229	NWDUNZKWSOGYJT-UHFFFAOYSA-N	416.481	3.908	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](c1c(F)cccc1Cl)N(C)C	740739773	JKEXFXCHCPNOQE-NRFANRHFSA-N	419.928	3.577	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1)C1CCCCC1	740909973	MTWADYDLFBLQSV-NQIIRXRSSA-N	421.607	3.611	10	20	HHCD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	741922314	ALKGZGQWSZIATM-AWEZNQCLSA-N	410.484	3.873	10	20	HHCD	
CCC(=O)N[C@H](CCSC)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	742416268	SNHGGMVXHUVWOC-HXUWFJFHSA-N	405.608	3.720	10	20	HHCD	
Cc1nc(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1	742755039	USGPEZXFPQKKEX-KRWDZBQOSA-N	418.563	3.822	10	20	HHCD	
O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805783	NXADEOWOWSJUHD-HNNXBMFYSA-N	405.401	3.524	10	20	HHCD	
CCC(CC)c1cc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)on1	743656662	OFBQGQVYFOHCAD-UHFFFAOYSA-N	400.523	3.756	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccccc1SC(F)F	743958296	QGWZDUVFYNXHLP-UHFFFAOYSA-N	406.454	3.841	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)c1O	745483994	XCNREKFSYOIJGE-QZTJIDSGSA-N	411.546	3.878	10	20	HHCD	
O=C(NCC[C@H](O)c1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	745799066	GEWXZSBEWJOARM-FQEVSTJZSA-N	419.472	3.680	10	20	HHCD	
Cc1cc2cc(/C=C3\SC(=S)N(CCCN4CCOCC4)C3=O)oc2cc1C	749845937	VMKBYIGLMAKTLE-UYRXBGFRSA-N	416.568	3.973	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1O	756457855	GZFHNOMJQRQHJM-QWRGUYRKSA-N	400.258	3.518	10	20	HHCD	
CCc1cc(N2CCC(N[C@@H](C)c3ccc(Br)cc3O)CC2)ncn1	756638787	RTMKUHSFMNQYCG-ZDUSSCGKSA-N	405.340	3.827	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1COc2c(Cl)cccc21	757623041	JQRGKLGRYXQLIF-SFHVURJKSA-N	403.935	3.826	10	20	HHCD	
Cc1ccsc1-c1nnc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)o1	757981943	CPMHNPLGHXMOMZ-UHFFFAOYSA-N	411.531	3.776	10	20	HHCD	
COc1cc(N2CCN(C(=O)C(C)(C)Cc3ccccc3)CC2)cc(OC)c1OC	759225072	KSHZTPRVFUPMOU-UHFFFAOYSA-N	412.530	3.630	10	20	HHCD	
C[C@H](NC[C@@H](CO)Cc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O	760031799	FPZMEZKTSLDHJC-JSGCOSHPSA-N	409.280	3.565	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccccc1O[C@@H]1CCOC1	760066970	UWBZCJHTCWTVTA-LJQANCHMSA-N	413.543	3.729	10	20	HHCD	
CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)cc21	760311612	SIFKROMTUDSGQQ-UHFFFAOYSA-N	417.487	3.980	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1C	764467655	CDPASNNUDSAAKD-HYBUGGRVSA-N	422.617	3.543	10	20	HHCD	
COc1ccc(COCCCNC(=O)NCc2cccc(Br)c2O)cc1	764769489	OAEXXAWJFIVCQZ-UHFFFAOYSA-N	423.307	3.569	10	20	HHCD	
CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1	766601144	PDRCWBVQBJTKGN-UIOOFZCWSA-N	423.601	3.933	10	20	HHCD	
O=C(c1csc(-c2ncccc2F)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	768402100	OKTPBYKGFGPIRW-HNNXBMFYSA-N	413.474	3.871	10	20	HHCD	
CN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C1CCN(S(C)(=O)=O)CC1	770325530	NVZNGOMJNKSEBN-UHFFFAOYSA-N	410.624	3.843	10	20	HHCD	
CN1CCN(c2ccc(CNCc3cc(Cl)c4c(c3)OCCCO4)cc2)CC1	771822142	GAAXCMRGYWDEOF-UHFFFAOYSA-N	401.938	3.543	10	20	HHCD	
C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl	772771697	XQIHJYCRDQWHBD-CGAJTASUSA-N	410.253	3.838	10	20	HHCD	
C[C@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(N2CCCCCC2)cc1	773041068	GRCBDPNKOPXFTJ-SFHVURJKSA-N	405.608	3.674	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N(C)C)cc1	773123702	XZEJPIREARCRTM-GOSISDBHSA-N	408.546	3.939	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1)c1ccc(N(C)C)cc1	773981781	FQPYVTYEWFEFIL-NSHDSACASA-N	416.421	3.509	10	20	HHCD	
C[C@H](NC(=O)CCSCc1nc(O)c2ccccc2n1)c1ccc(N(C)C)cc1	775408175	XMPHRMUUBDPEBF-HNNXBMFYSA-N	410.543	3.902	10	20	HHCD	
CC[C@H](NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1O	775521882	CXMQRGKEAMAHHI-NSHGMRRFSA-N	411.384	3.963	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COC1CCN(C(=O)OC(C)(C)C)CC1	777100898	JMGIDNRARUTGQL-UHFFFAOYSA-N	419.566	3.517	10	20	HHCD	
CCC[C@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1	778222656	AFPNUJAFZNIWRK-SYKNXGGPSA-N	421.541	3.558	10	20	HHCD	
CC(C)Oc1ccc(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1Cl	778304396	JMYOHJQSMJUISG-UHFFFAOYSA-N	413.879	3.561	10	20	HHCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCO1	778754772	WCYCGQXEEJZZBQ-SIKLNZKXSA-N	403.567	3.947	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1	784027353	PBAWFPOKMATKSO-UHFFFAOYSA-N	402.401	3.514	10	20	HHCD	
CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785439238	MWHUSGVWKFLJOA-UHFFFAOYSA-N	401.510	3.694	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H]2CSc3ccc(Br)cc32)c1O	787394079	DHSWGJVJKNBEQR-ZDUSSCGKSA-N	409.305	3.810	10	20	HHCD	
COC(=O)c1sc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1Cl	788674896	LJHGUMQKZHSOEN-LLVKDONJSA-N	416.952	3.602	10	20	HHCD	
C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C	788928872	NTBNMFKTTPTTNL-KRWDZBQOSA-N	422.529	3.928	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@H]1CCc1ccccc1	788930782	VPNXTINRKMRUBC-QHCPKHFHSA-N	405.542	3.527	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C(C)C)[C@H](O)c3ccccc3)CC2)cc1	788958495	YSWUCKLGOWQPAT-DHIUTWEWSA-N	411.546	3.721	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc2nccnc2cc1F	791540941	OYUACIGBYXPNNW-UHFFFAOYSA-N	405.477	3.553	10	20	HHCD	
CC[C@H](C)n1ncc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C	792205514	PNGKMISDGSGSLY-HNNXBMFYSA-N	410.474	3.629	10	20	HHCD	
CN(C)S(=O)(=O)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)nc1	795805740	MLHNUBAUZPCFQZ-UHFFFAOYSA-N	422.554	3.507	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1	797751796	XZARZMYGKMWSAV-LLVKDONJSA-N	406.269	3.951	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC3CCN(c4nccs4)CC3)cc2)CC1	798408021	JCNJINVLCOGVDR-UHFFFAOYSA-N	413.591	3.848	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(NC(=O)C(N)=O)c2)c(C)n1-c1ccc(C(C)C)cc1	801514549	WOWRKTHWMCGPME-UHFFFAOYSA-N	418.497	3.894	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)cc1F	803661882	CKQUVMXYQXTQPV-LJQANCHMSA-N	421.463	3.690	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCc4sccc43)cc2)CC1	804382606	HMPSOPILVGWFMC-FQEVSTJZSA-N	411.571	3.794	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1ccc(N(C)C)cc1	804542965	OWJPECWKYTWLAE-AVCGJXAMSA-N	407.558	3.848	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(F)c3Cl)cc2)C1	806768973	BHYWHOIWALAFPM-CQSZACIVSA-N	404.873	3.503	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1cn(C)nn1	808275580	YZODFBTZUPAKCP-INIZCTEOSA-N	403.408	3.740	10	20	HHCD	
O=[N+]([O-])c1cc(CNCCCn2cc(Br)cn2)ccc1N1CCCCC1	808436530	HJAQPQQMNXMTRE-UHFFFAOYSA-N	422.327	3.724	10	20	HHCD	
COc1ccc(N2CCCN(Cc3c(C)nn(-c4ccccn4)c3Cl)CC2)cc1	809550182	AIFHRUBJOPADRH-UHFFFAOYSA-N	411.937	3.950	10	20	HHCD	
Cc1noc(C2CCC(NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CC2)n1	813855385	NOEHFPWBVPCXNZ-MYMYQCDVSA-N	402.514	3.947	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	814156244	URLYDMJGLMTHDP-UYAOXDASSA-N	424.545	3.961	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3ncco3)c2C)cc1	815395112	IRHXTDOEAVBMQL-UHFFFAOYSA-N	406.486	3.751	10	20	HHCD	
COCC(C)(C)CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	816982849	XHGFRECGHBPWIJ-GXDHUFHOSA-N	412.602	3.518	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCCc1ccccc1)c2[N+](=O)[O-]	821703524	VEZRKMLTRQKOPZ-UHFFFAOYSA-N	414.417	3.733	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1	917514869	IXHNKTICHXCTAQ-UHFFFAOYSA-N	423.538	3.809	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(Cl)s3)cc2F)C[C@@H](C)O1	917917349	FYBZWEFQHDFZQJ-VXGBXAGGSA-N	418.943	3.633	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c2cccnc12	918303305	BPYZMRQZOLDKPS-UHFFFAOYSA-N	410.905	3.941	10	20	HHCD	
Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	918442492	MTUDOUSSKMSNFI-UHFFFAOYSA-N	423.557	3.582	10	20	HHCD	
C[C@H](NC(=O)c1ccoc1)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	919485422	UTSKLMLPBSEFBI-HNNXBMFYSA-N	420.425	3.995	10	20	HHCD	
Cc1[nH]nc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1Br	919695125	SHNCDJUYACMJFF-UHFFFAOYSA-N	401.308	3.861	10	20	HHCD	
C[C@@H](NC(=O)CCOc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1	920882726	XEHVSHSJWUPZFA-OAHLLOKOSA-N	406.885	3.962	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)OC[C@@H]2CCCO2)c(C)n1-c1cccc(F)c1	921097527	GQOYOLSUDZKDHD-LPHOPBHVSA-N	403.450	3.543	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCOc3ccc(CCC(C)=O)cc3)CC2)cc1	1253863490	IYPFYZSPFTYKDI-UHFFFAOYSA-N	424.541	3.725	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1	1318378664	KMAQBLMQVBJUHD-UHFFFAOYSA-N	423.466	3.525	10	20	HHCD	
COc1cc(Cl)cc(CNCCNC(=O)c2ccccc2C(F)(F)F)c1O	1320469920	NDOOGKWEFDTKRU-UHFFFAOYSA-N	402.800	3.593	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1	1342839660	JFELRWMHHKYWFQ-INIZCTEOSA-N	402.970	3.503	10	20	HHCD	
CCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1Cc1ccccc1	97297625	NLZDHROKLOCTGJ-UHFFFAOYSA-N	418.541	3.603	10	20	HHCD	
Cc1ccc(C)c(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	108288280	ZUXYKGYYQWPVGM-ROUUACIJSA-N	400.494	3.751	10	20	HHCD	
C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	303325387	BPACFHUENJGBQT-DYESRHJHSA-N	400.494	3.732	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3ccc(OC)c(OC(F)F)c3)SC2=S)cn1	726197758	XYMUOXOXSNFCPO-VGOFMYFVSA-N	411.455	3.919	10	20	HHCD	
C[C@H](NC(=O)NCc1ccccc1Br)c1ccc(N2CCOCC2)cc1	726244699	FCNPLYSSCTUMIV-HNNXBMFYSA-N	418.335	3.846	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1O	727762222	FLMIWSMMIQWHNR-UHFFFAOYSA-N	423.465	3.927	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N(CC3CC3)C3CCCCC3)cc2)C1	727940362	HDLVCTIYGUMKNX-FQEVSTJZSA-N	412.578	3.643	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1ccc(F)cc1F)C1CC1	728745601	FZQBUOGQBIMDPJ-UHFFFAOYSA-N	419.447	3.815	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)cc2)CC1	731053021	AWVHTVSYJCKIHA-FQEVSTJZSA-N	402.583	3.661	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2c(C)nc3cc(O)nn3c2C)c1C	733984017	XOESDKSULLLXNM-UHFFFAOYSA-N	403.486	3.698	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccccc3OC3CCC3)cc2F)CC1	735635787	RLYFHVKCIRTEGV-UHFFFAOYSA-N	411.521	3.829	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)cc1	735823610	NVVOMQZFTITLSV-UHFFFAOYSA-N	421.545	3.733	10	20	HHCD	
Cc1cc(Br)ccc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	739767325	YZNKWQWJJHJARB-UHFFFAOYSA-N	416.319	3.712	10	20	HHCD	
CN1CCN(Cc2cccc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)CC1	742242907	SPFBBILOXZSBBY-UHFFFAOYSA-N	420.601	3.697	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CNC(=O)OCc2ccccc2)cc1	742280963	NLDMJIJSFSIMSA-UHFFFAOYSA-N	421.497	3.801	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2cnn(C(C)C)c2)nc1-c1ccccc1	743046271	TXSZSZUDKZRDKR-UHFFFAOYSA-N	420.516	3.565	10	20	HHCD	
Cc1ccc(N2CC[C@H](NC(=O)NCc3ccc(N4CCC(C)CC4)cc3)C2=O)cc1	743599866	JJPQBAJHWPOCSF-QHCPKHFHSA-N	420.557	3.836	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H]3C[C@@H](C)N(c4ccccc4)C3=O)cc2)CC1	743600878	SFPUAIVEMZHKGH-XXBNENTESA-N	420.557	3.916	10	20	HHCD	
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1c(O)ccc2c1CCCC2	743605348	SQKWQASOJGJLIW-UHFFFAOYSA-N	423.557	3.745	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1	743666997	SISDPJLORVPAQK-PKOBYXMFSA-N	404.555	3.635	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(OC2CCCC2)cc1	743958119	LXGAHTHPQHDXCH-UHFFFAOYSA-N	408.498	3.847	10	20	HHCD	
Cc1ccc(OCCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C	746685528	DMUXIGXFHKRXDT-UHFFFAOYSA-N	414.521	3.879	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2ccncc2)c(C)n1-c1ccccc1Br	750501666	KWDZLXAMKKQAAQ-LJQANCHMSA-N	414.303	3.715	10	20	HHCD	
Cc1ccncc1/C=C/C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	752481965	UKKGGIOGLZIWRE-VZOQVYJPSA-N	424.545	3.851	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)CCCC(F)(F)F)cc2F)CC1	755300291	WGWQOYHTDHFIIJ-OAHLLOKOSA-N	418.479	3.888	10	20	HHCD	
C[C@@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1O	756491702	XUAIURFMGLYFND-CQSZACIVSA-N	408.329	3.698	10	20	HHCD	
CS[C@H](CO)[C@H](C)N[C@H](C)c1cc(Br)cc(Br)c1O	756594591	RGUSOICVZIWFRY-RGNHYFCHSA-N	413.175	3.680	10	20	HHCD	
C[C@@H](NCCc1cccc(C(=O)N(C)C)c1)c1cc(Br)c(F)cc1O	756596347	CHBXBBRCPOESQW-GFCCVEGCSA-N	409.299	3.889	10	20	HHCD	
O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc2o1	758162226	IWQPTWPSPMBKJD-UHFFFAOYSA-N	409.634	3.588	10	20	HHCD	
CC[C@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)C1CCCCC1	759256842	GLHLZIRBYCNJGS-IBGZPJMESA-N	419.566	3.903	10	20	HHCD	
C[C@H](NC[C@H](CO)Cc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O	760031795	FPZMEZKTSLDHJC-GXTWGEPZSA-N	409.280	3.565	10	20	HHCD	
C[C@@H](NC[C@@H](CO)Cc1cccc(Br)c1)c1cc(F)cc(F)c1O	760039907	HETJKWQKNSBCQE-YPMHNXCESA-N	400.263	3.935	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccnn2C)c(C)n1-c1ccccc1Br	762709268	AXGRQGSTUKHFIS-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
COc1ccc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1	765277675	TVFXZWOGHJRHPK-SFHVURJKSA-N	421.520	3.802	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](C)CC(=O)Nc3cccnc3Cl)CC2)cc1	765638430	MMJZOUJAENSKAO-HNNXBMFYSA-N	402.926	3.719	10	20	HHCD	
COc1ccc(-n2ccc(CN[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)n2)cc1	765755056	CFINFAJBBWMMDE-KRWDZBQOSA-N	410.493	3.707	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NC2CCN(c3ccccn3)CC2)C1	765993293	MLQNIGNNCVTKNW-FQEVSTJZSA-N	400.954	3.664	10	20	HHCD	
C[C@H](NC[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(N2CCOCC2)c(F)c1	766004567	FQAHIPLDPXUJKL-BTYIYWSLSA-N	407.480	3.894	10	20	HHCD	
O=C(NCCc1nc2c(s1)CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1	766266892	OQFRHDOXPNRCOX-QGZVFWFLSA-N	415.559	3.661	10	20	HHCD	
C[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCOCC2)cc1Cl	766605199	SBWXAVVPLVRFKB-WMZOPIPTSA-N	405.970	3.618	10	20	HHCD	
C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4cc(Cl)ccc4O)CC3)cc2NC1=O	769313529	OYGNFFWDPCKGGY-ZDUSSCGKSA-N	414.889	3.860	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1nc2ccc(Cl)cc2n1C	769379732	FEQIZZPOXYOVNA-UHFFFAOYSA-N	408.285	3.761	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1	769763161	UBMAGAGXTMRCBR-UHFFFAOYSA-N	420.506	3.878	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\SC(=S)N([C@@H]4C[C@H]5CC[C@H]4C5)C3=O)cc2)CC1	771513427	KUNQLFFPINFVHF-QRWPHVBLSA-N	413.612	3.828	10	20	HHCD	
CCC(=O)N1CC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1	773224387	MVNIMGVDTVHAJB-QGZVFWFLSA-N	414.477	3.526	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)c1ccc(N(C)C)cc1	773848642	SZOQVUFJJLMYTB-LLVKDONJSA-N	424.726	3.984	10	20	HHCD	
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	773987934	HOUHBYZXXDHLLZ-NTKDMRAZSA-N	415.537	3.971	10	20	HHCD	
COc1cccc(Oc2ccc(CNCc3ccc([N+](=O)[O-])c(OC)c3O)cn2)c1	774973496	BFTRUGRPRLYYGE-UHFFFAOYSA-N	411.414	3.795	10	20	HHCD	
C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C12CCCC2)c1ccc(N(C)C)cc1	775830434	IKSIEVGUKSZNIG-QGZVFWFLSA-N	406.530	3.701	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1-c1ccc(F)cc1	777423562	CAOOOAYCKNZSPO-FQEVSTJZSA-N	409.461	3.847	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3noc4c3CCCCC4)cc2F)C[C@H](C)O1	780398294	WPHCZDZELNUGPI-GJZGRUSLSA-N	401.482	3.626	10	20	HHCD	
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	784262938	KQTDCLOYVJRAIY-UHFFFAOYSA-N	418.607	3.967	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3nc([C@@H]4C[C@H]5CC[C@H]4C5)cs3)ccc21	789430576	BCQOTYIIXGLPSC-QILLFSRXSA-N	424.570	3.684	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC4(CCOCC4)CC3)cc2F)C[C@@H](C)O1	790673611	QDJXTPRTQAMTPT-QZTJIDSGSA-N	419.541	3.542	10	20	HHCD	
Cc1nc(Cl)ccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	791040656	DSTMULXVLUVVPW-UHFFFAOYSA-N	421.796	3.979	10	20	HHCD	
Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)O2	793119338	XFFXMWGYYDGUNV-SAHWJRBASA-N	412.505	3.758	10	20	HHCD	
CC1(C)CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@@H]1C1CC1	793404260	FVKVKTCKPMDUPN-QGZVFWFLSA-N	406.529	3.515	10	20	HHCD	
Cc1ccc(C2=NO[C@@H](CNC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)C2)cc1	800753668	HUVIIXNDSFPDHB-NHCUHLMSSA-N	423.513	3.584	10	20	HHCD	
CC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)cc(Cl)c1O	806129999	NRICWICRQJVWFU-INIZCTEOSA-N	403.331	3.630	10	20	HHCD	
C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	806846494	QLCBETQSWPOSRY-KRWDZBQOSA-N	406.534	3.598	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCc2ccccc21	807291613	FYPJQMYPVQBMDU-HSZRJFAPSA-N	403.526	3.605	10	20	HHCD	
Cc1cc(C)nc(-n2nc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2C)n1	807836810	QCLYSSWHUSOFLF-UHFFFAOYSA-N	406.273	3.530	10	20	HHCD	
CN(C)c1cccc2c(S(=O)(=O)NCCCSc3nccs3)cccc12	810048273	AAKURVQHHJWBNY-UHFFFAOYSA-N	407.586	3.823	10	20	HHCD	
COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	819633958	QNMOZJQZXYPGRN-UHFFFAOYSA-N	419.481	3.639	10	20	HHCD	
Cc1ccc(CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)o1	915182677	BYXVTQDCJZBNLD-FOWTUZBSSA-N	420.581	3.990	10	20	HHCD	
O=C(NCCCN1CCc2ccccc2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916459297	TUMHMCUAJAYZLT-QHCPKHFHSA-N	423.557	3.531	10	20	HHCD	
CCc1cccc(CC)c1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918294354	GLGTZUVYAAZRSX-FQEVSTJZSA-N	410.514	3.663	10	20	HHCD	
COc1cc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)ccc1OCCO	918637348	RXUAXWRTYXVTLG-UHFFFAOYSA-N	408.498	3.712	10	20	HHCD	
C[C@H]1Sc2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2NC1=O	920494546	OTQQYLOREBWHMI-RHSMWYFYSA-N	412.511	3.646	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1317959264	NMZRXZWRMWQXAJ-OAQYLSRUSA-N	422.573	3.505	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)CC3CC3)CCC2)cc1	1792301068	BFIJIRHRLDMDRO-VZUCSPMQSA-N	422.481	3.751	10	20	HHCD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)on1	1845398186	JDLZUWOJEBYOBK-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
COc1ccc([C@@H](CNCc2ccc(N3CCCCC3)cc2)N2CCOCC2)cc1	104864306	OWJPZVHBHWCFOK-RUZDIDTESA-N	409.574	3.849	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(N3CCCC3=O)c2)cc1	104957450	KODLOTYRGJPHRR-QHCPKHFHSA-N	421.541	3.701	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccccc3CN3CCCC3)CC2)cc1	110461529	NOHHMRTYEYZXFX-UHFFFAOYSA-N	422.573	3.759	10	20	HHCD	
C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1	115952689	YOZFKTZNHGEJCE-OAHLLOKOSA-N	402.441	3.642	10	20	HHCD	
COc1ccc(N(CC(=O)NCCc2cnn(-c3ccccc3)c2)C(C)C)cc1F	725815792	ASCXXDMFNTUQEH-UHFFFAOYSA-N	410.493	3.594	10	20	HHCD	
CN(C)C(=O)C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1	726240373	HPBQWWVTGGBTMN-NRFANRHFSA-N	421.497	3.917	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cccc(C)c2)nc1-c1ccccc1	727251392	VPIMOXLMQHFMML-UHFFFAOYSA-N	402.497	3.635	10	20	HHCD	
CCCCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	728020301	QHMVKEBXPQMWOS-FQEVSTJZSA-N	403.592	3.727	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	729494975	IPKSSWATKPVBNP-LJQANCHMSA-N	404.555	3.684	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1F	731346793	WECQGKLCTFSKQC-JOCHJYFZSA-N	411.521	3.522	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(NC(C)=O)c(OC)c2)cc1F	731402905	OOTGUGASHGXSJV-UHFFFAOYSA-N	402.470	3.961	10	20	HHCD	
CCOc1c(Br)cc(C(=O)NCc2cc(OC)ccc2O)cc1OC	734016908	NEODDJOGXKIUNZ-UHFFFAOYSA-N	410.264	3.501	10	20	HHCD	
Cc1ccnc(-c2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)n1	734655453	HQBGPROSKNXTNE-UHFFFAOYSA-N	417.513	3.953	10	20	HHCD	
COc1ccc(N(Cc2cccc(S(=O)(=O)N(C)C)c2)Cc2ccco2)cc1F	739926610	PUCZNMMQMZDPBX-UHFFFAOYSA-N	418.490	3.884	10	20	HHCD	
CN(c1ccc(CNC(=O)CCN2C(=O)COc3ccccc32)cc1)C1CCCCC1	742416694	LHUJVOVAMLRUSA-UHFFFAOYSA-N	421.541	3.887	10	20	HHCD	
COc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	742554948	WAWLBFBEFFFSII-UHFFFAOYSA-N	408.527	3.569	10	20	HHCD	
Cc1nc2cc(O)nn2c(C)c1CCC(=O)N(Cc1ccco1)Cc1ccccc1O	743430433	IFGXRJKYZFCRHR-UHFFFAOYSA-N	420.469	3.512	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Oc2ccccc2)ccn1	744461192	WTHJWHLNPUINSY-UHFFFAOYSA-N	403.482	3.983	10	20	HHCD	
COc1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc(OC)c1OC	745338349	BIYGOLRETDVISE-UHFFFAOYSA-N	415.534	3.899	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1	745851720	HWYIXMZPLALIAG-JOCHJYFZSA-N	408.546	3.788	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)CC(C)(C)C2=O)c(C)n1-c1ccc(OC(F)F)cc1	748796500	MLMPWDVGZKRIMO-UHFFFAOYSA-N	404.413	3.663	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(O[C@H]4CCOC4)CC3)c2C)cc1F	748831920	AFYOXCTWXUVOSN-NRFANRHFSA-N	414.521	3.994	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CCN(C)c3ccccc32)cc1	750728068	UMGATIUNNVIPHF-GGAORHGYSA-N	407.558	3.884	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(C)o1	754692716	ATBNGNPHXAVQHL-UHFFFAOYSA-N	412.876	3.952	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3ncc(Br)cc3Cl)cc2)C1	754976436	JYJOJAYTMGNTPZ-ZDUSSCGKSA-N	423.742	3.811	10	20	HHCD	
C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1cc(Br)cc(F)c1O	756511541	OYTYLCSVUAFRNB-NSHDSACASA-N	416.312	3.689	10	20	HHCD	
C[C@H](NCCCNC(=O)c1ccc(F)cc1)c1cc(Br)cc(F)c1O	756709625	XQFWDIGPMSBADW-NSHDSACASA-N	413.262	3.904	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)CSc3ccc4ccccc4n3)CC2)cc1	758195125	CIGSQJCFQXKXNS-HXUWFJFHSA-N	409.555	3.519	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1	758342659	IWTGMRUFAMUBLI-IBGZPJMESA-N	403.320	3.950	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(c3ccc(Cl)nc3)C1=O)OCO2	758818539	GWSXNGACUFLZJM-LHHJGKSTSA-N	406.872	3.878	10	20	HHCD	
COc1ccc(OC(F)F)c(CNC(=O)NCCCSc2nccs2)c1	759586556	RFDOSWNCQTTZHX-UHFFFAOYSA-N	403.476	3.735	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)c1	760134328	ZEANWPJVUDTCEC-RPLLZPRCSA-N	420.868	3.590	10	20	HHCD	
CCN(CC)Cc1ccc(CNC(=O)NCc2cccc(Br)c2O)cc1	764758589	RWRITCQUYSZXGO-UHFFFAOYSA-N	420.351	3.996	10	20	HHCD	
C[C@@H](NC(=O)NCCc1csc(C(C)(C)C)n1)c1ccc(N2CCOCC2)cc1	765670209	QAJCQDTWNWYGAL-MRXNPFEDSA-N	416.591	3.880	10	20	HHCD	
COC(=O)c1nccc2c(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cccc12	766744762	ZEXDGEUEAYUOJU-UHFFFAOYSA-N	415.452	3.539	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	768202360	XWXPXNCIULPPRD-JKSUJKDBSA-N	422.422	3.624	10	20	HHCD	
O=C(CCC1CCCCC1)N1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	768921215	OKXYOGAVVLGLKP-UHFFFAOYSA-N	417.569	3.667	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(N(C)C)cc1	773617666	NLKMUKMDOWFZHV-DJJJIMSYSA-N	418.900	3.711	10	20	HHCD	
Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773856813	LOFYUICBMVFAFH-CYBMUJFWSA-N	404.308	3.639	10	20	HHCD	
O=S(=O)(Nc1nc2ccccc2nc1NCc1ccccc1O)c1ccccc1	774523078	DVYXDRHVCCPMAL-UHFFFAOYSA-N	406.467	3.748	10	20	HHCD	
CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCOc3cc(N(C)C)ccc32)cc1	774753776	NXTDAWZRNDVMII-NRFANRHFSA-N	409.530	3.714	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(C(F)(F)F)c1	774921893	DXRXRTUTLXEPDK-OAHLLOKOSA-N	417.431	3.575	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1OC(F)(F)F	775537210	BEUWPSNLJMYLHO-UHFFFAOYSA-N	412.383	3.615	10	20	HHCD	
C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1)c1ccc(N(C)C)cc1	776239792	VLVVKPFPHDILMR-RTBURBONSA-N	408.546	3.665	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1)C1CCCCC1	776342734	IKYPHGBQRGUXCD-GOSISDBHSA-N	411.468	3.625	10	20	HHCD	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(N2CCOCC2)cc1	778650094	LSRQDBQZSMOGBT-CYBMUJFWSA-N	421.400	3.524	10	20	HHCD	
Cn1nc(Br)cc1/C=C1/SC(=S)N(c2ccc(Cl)nc2)C1=O	779221576	XMDWRHBOEMLHNG-RUDMXATFSA-N	415.725	3.637	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC[C@H](Cc2ccccc2)C1	782558549	OAXBHMVKZYELCO-CTNGQTDRSA-N	411.521	3.873	10	20	HHCD	
O=C(Nc1ccc2nccnc2c1)C(=O)N(Cc1ccccc1O)C1CCCCC1	782897070	TXYLZLAIYRNRFQ-UHFFFAOYSA-N	404.470	3.635	10	20	HHCD	
CCSc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788937118	MUSVBWCNABFSJG-QGZVFWFLSA-N	411.571	3.892	10	20	HHCD	
C[C@H](NCc1cc2c(cc1O)OCO2)c1nc(-c2ccc(Br)cc2)no1	792178926	FMZFUPKZAHLCBH-JTQLQIEISA-N	418.247	3.784	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(Cl)cc(Cl)c1O	796363883	QQOLKJPOARCHDJ-UHFFFAOYSA-N	419.330	3.960	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC(c4cccc(Cl)c4)CC3)nc12	796534494	GCNMAIHDNWSMQC-UHFFFAOYSA-N	414.893	3.645	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1NCc1ccc(N2CCCC2)cc1	796696033	ROSUVSAIJGAQKQ-YYWHXJBOSA-N	403.567	3.695	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H]3CC(C)(C)CCc4ccccc43)nc12	799338987	GYWTZSFYXUSIQM-IBGZPJMESA-N	408.502	3.805	10	20	HHCD	
COc1ccc(-c2nc(C)c(C(=O)NCc3cc(OC)ccc3O)s2)c(F)c1	800519455	QNVNKDADWAAHBH-UHFFFAOYSA-N	402.447	3.910	10	20	HHCD	
COC(=O)C1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	800720833	WDWABINCASAAPR-OAHLLOKOSA-N	407.942	3.671	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	801595348	MCZXSZJCTOREPA-HNNXBMFYSA-N	401.463	3.938	10	20	HHCD	
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	803653585	PZOLXYIGQCFPBL-YLJYHZDGSA-N	405.498	3.639	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc1F	803663864	COFWDVYOMCSRJH-NRFANRHFSA-N	409.505	3.577	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CSc2ccccc21	806154692	IXTGKAUHSHXROY-FQEVSTJZSA-N	409.555	3.599	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(N2CCCNC2=O)c1	806310457	BAPDYEBPSPTAHB-UHFFFAOYSA-N	409.273	3.940	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](c1ccccc1)N(C)C	806440227	NUDPIKVNEMEIBI-AVRDEDQJSA-N	412.603	3.730	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1cccc(OC)c1	807339699	UVEITIVVKXNMAC-UHFFFAOYSA-N	412.530	3.624	10	20	HHCD	
Cc1cc(C(=O)NCCc2csc(O)n2)c(C)n1-c1ccccc1Br	807372499	GLJKUFHTYPKCIG-UHFFFAOYSA-N	420.332	3.991	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)OCC(=O)Nc3ccc4nc(O)[nH]c4c3)c2C)c1	808430603	IAMYHCFNWGAXDT-UHFFFAOYSA-N	418.453	3.780	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc(=O)c2ccc(F)cc2o1	808498189	IXIDTDDQOSRWQX-UHFFFAOYSA-N	400.369	3.894	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1O	808713953	VHYOQGDUOHAJOA-OAHLLOKOSA-N	403.910	3.798	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2cc(F)c(F)cc2Br)c1O	809709991	KQDPNSSJDRQYAH-UHFFFAOYSA-N	403.179	3.640	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1O	811703790	GAJGLJRVIYOACW-UHFFFAOYSA-N	401.431	3.762	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@H]1CCCCC(F)(F)C1	813591738	UXYBDZPIWXDTCU-LJQANCHMSA-N	409.521	3.910	10	20	HHCD	
C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C(F)(F)F)c1O	815563502	FHFPQQKNAGHIQI-GFCCVEGCSA-N	402.438	3.512	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H]2CCC(=O)N(C)C2)c(C)n1-c1ccccc1Br	820402138	IBCGLWRJBHXRNC-HNNXBMFYSA-N	418.335	3.549	10	20	HHCD	
Cc1cc(S(N)(=O)=O)cc(NCc2ccc(N(C)C)cc2C(F)(F)F)c1C	863992581	IWPICBRJVQONSA-UHFFFAOYSA-N	401.454	3.648	10	20	HHCD	
CN1CCC[C@@H](N(C)C(=O)c2ccc(NCc3cc(F)c(N(C)C)cc3F)cc2)C1	864039633	ZSTDUNVDHHIIOE-LJQANCHMSA-N	416.516	3.809	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C2CC2)cc1	914438496	BBFDNVYNPPMTBR-HXUWFJFHSA-N	423.532	3.935	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O	914505892	DKZHUODWPYRLLY-UHFFFAOYSA-N	407.514	3.566	10	20	HHCD	
Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1[N+](=O)[O-]	914507184	ZVUYHMLRBYIGCN-UHFFFAOYSA-N	400.435	3.928	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)Cc1ccccc1	916983194	ITGAGQFTOGEPAR-OALUTQOASA-N	413.537	3.578	10	20	HHCD	
Cc1ccc(C(=O)N2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)cc1F	917478277	MMRDEGXMOYHIRH-UHFFFAOYSA-N	400.494	3.801	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1	918069137	NFKVZRJLCSUCEO-UHFFFAOYSA-N	416.566	3.826	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1	918228098	GNYGMVZCUJQSSS-UHFFFAOYSA-N	404.555	3.732	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccc12	919969189	PVGVMSKHKCHANC-UHFFFAOYSA-N	404.510	3.987	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)C2CC2)cc1	920239616	LAJOPJPVQYKIQF-UHFFFAOYSA-N	407.493	3.952	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2ccccc2Cl)C1	1844861239	BGSYKTMUSRVSSM-UHFFFAOYSA-N	421.280	3.535	10	20	HHCD	
CC(=O)C[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1845399290	KSFCRHVNBDANJM-QGZVFWFLSA-N	421.541	3.526	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(N(C)C(N)=O)c2)C1	427977627	ZAHJLNZGKPXQGT-UHFFFAOYSA-N	419.529	3.561	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)n(C)c2ccccc12	569026595	CTWAQMIBHUYLAE-SFHVURJKSA-N	418.541	3.581	10	20	HHCD	
CCOc1ccc(O)c(CNCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1	725845823	NCOGFQIECKJJOF-QGZVFWFLSA-N	418.559	3.501	10	20	HHCD	
COc1ccc(CC[C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	726245622	LFLVGGBJTUZERP-OALUTQOASA-N	411.546	3.913	10	20	HHCD	
C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)NC(=O)C1CCCC1	727102136	ICFQAORODOWKEX-SFHVURJKSA-N	411.546	3.959	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnn(C)c2C(F)F)c(C)n1-c1cccc(F)c1	727568490	RHTKWRQAHCZFTR-UHFFFAOYSA-N	405.376	3.944	10	20	HHCD	
CCSc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1	727789102	WTOTZIQVOWLHRS-GASCZTMLSA-N	403.523	3.876	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc2c(c1)CC(=O)N2C	728399939	JOKLULDVIZIOMC-INIZCTEOSA-N	406.530	3.707	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N[C@H]3CCCC[C@H]3C)ccc21	728636804	AYDHNNHESQHQQS-QRWLVFNGSA-N	400.519	3.756	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2F)CC1	730235221	PTOAAGJTXHBAAN-UHFFFAOYSA-N	408.521	3.996	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1CS(=O)(=O)c1ccccc1	731183804	SSWRVQUONZSFGO-UHFFFAOYSA-N	422.550	3.999	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1	731280425	VYDXIRSEGFSXII-QFIPXVFZSA-N	411.546	3.696	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OCC3CC3)cc2)cc1	733663661	GRVQHVOZTQMDHT-UHFFFAOYSA-N	409.530	3.919	10	20	HHCD	
COc1ccc(N2CCCN([C@H]3CCCN(c4cc(C)ccc4F)C3=O)CC2)cc1	735671620	VXXOXEOVFIXIIH-QFIPXVFZSA-N	411.521	3.850	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	740483947	FQMVXZVGESPSFY-HXUWFJFHSA-N	414.937	3.743	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)c1	741406701	YLHWOYFOWBPPMB-UHFFFAOYSA-N	400.475	3.836	10	20	HHCD	
COc1cc(N(C)CC(=O)NC[C@@H](c2ccccc2)C(C)C)cc(OC)c1OC	741799355	ZXGFSIUSTIMCES-LJQANCHMSA-N	400.519	3.705	10	20	HHCD	
CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1sccc1-n1c(C)ccc1C	743415906	NFHFQWBLRUJHFN-HNNXBMFYSA-N	406.548	3.834	10	20	HHCD	
Cc1nc(C)c(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	743554642	JRGZOTAMOUKGEH-CHWSQXEVSA-N	406.527	3.512	10	20	HHCD	
CCN(CC1CCN(c2ccccn2)CC1)C(=O)NCc1ccc(N2CC=CC2)cc1	743623980	MQEYXHRSHFUDSD-UHFFFAOYSA-N	419.573	3.906	10	20	HHCD	
C[C@@H]1Cc2ccccc2N1CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	744887633	SLPTUDFUDXXLMB-NQIIRXRSSA-N	409.530	3.534	10	20	HHCD	
CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCSC1	748983509	AMJCVGPEZQMIOC-OAQYLSRUSA-N	411.531	3.594	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)c2C)c1	749398821	FNHGSLNVYCLUMB-QUCCMNQESA-N	402.560	3.797	10	20	HHCD	
Cc1cc(C(=O)CN2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)c(C)n1-c1cccc(F)c1	749546316	OSYMQRLIOMXRBI-WNOPAQSVSA-N	413.537	3.599	10	20	HHCD	
Cc1nc(O)c(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1-c1ccccc1	749919509	KUAUKCSRRJZQCZ-UHFFFAOYSA-N	403.482	3.529	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)n2)s1	751126695	CGDGTXFTTWMJRU-UHFFFAOYSA-N	403.510	3.822	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1noc(Cc2ccccc2)n1	752906985	JAIUCZYHVNUDKI-INIZCTEOSA-N	405.502	3.603	10	20	HHCD	
O=C(CCc1nc(-c2ccoc2)no1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754553453	WAHRWMCGJQVOQI-UHFFFAOYSA-N	413.389	3.676	10	20	HHCD	
COc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OC	756688625	PMFZEGRVPANPCS-SNVBAGLBSA-N	411.252	3.931	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3sc(C)nc3C)n2)cc1	757551501	LUUQCKMDANZHAR-UHFFFAOYSA-N	408.530	3.643	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3cc(Cl)cn3C)cc2F)C[C@@H](C)O1	757633455	AFOCYZQTPAMPAW-GASCZTMLSA-N	422.932	3.773	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C3(CNC(=O)OC(C)(C)C)CC3)cc2)CC1	759846082	URDGEVKGXVMGDU-UHFFFAOYSA-N	401.551	3.844	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1sccc1Br	761199750	JTNVEOTZTTYCDW-UHFFFAOYSA-N	415.696	3.834	10	20	HHCD	
C[C@H](N[C@@H](c1ccccc1F)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764815985	SAJKWLCWASRUHX-AOMKIAJQSA-N	412.484	3.975	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cccc(Cn2cccn2)c1	765228348	QIEHVTLIPGVEII-UHFFFAOYSA-N	401.264	3.721	10	20	HHCD	
Cc1ccc(NC(=O)NCc2cccc(Br)c2O)c(Br)n1	765316944	RSGMNDQRKPTEHC-UHFFFAOYSA-N	415.085	3.942	10	20	HHCD	
C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1O	765826514	YUTWKJWBMQEGRR-KSSFIOAISA-N	423.340	3.820	10	20	HHCD	
C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1O	765826516	YUTWKJWBMQEGRR-RDTXWAMCSA-N	423.340	3.820	10	20	HHCD	
Cc1ccc(N2CCC[C@H](N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1	766197074	FIKYFGOMYXGYFQ-GCJKJVERSA-N	411.521	3.817	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(OCc2ccc(F)cc2)CC1	768815406	NAYQSNQSGSHHQS-UHFFFAOYSA-N	413.537	3.531	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1F	769087592	NCWZUUDDEFGOGJ-FGZHOGPDSA-N	407.493	3.816	10	20	HHCD	
CC[C@H](NC[C@@H](O)COc1ccccc1Br)c1ccc(N(C)C)cc1	773054654	VYXRATHCAZIDJJ-MJGOQNOKSA-N	407.352	3.996	10	20	HHCD	
CCOC(=O)c1nn(-c2ccccc2)cc1CNCc1ccc2c(c1)CCCN2C	776108884	FVYVLHIHPDRFCW-UHFFFAOYSA-N	404.514	3.721	10	20	HHCD	
O=C(CCCOc1ccc2c(c1)NC(=O)CC2)NCc1ccc(N2CCCC2)cc1	784813269	LZLLQKSEXSNUBZ-UHFFFAOYSA-N	407.514	3.647	10	20	HHCD	
CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785423863	CQLGTJIMLFBRDF-UHFFFAOYSA-N	405.901	3.600	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)Cc3cccc(Cl)c3)cc2)CC1	786262498	OHWPEMFMDDVBMK-QGZVFWFLSA-N	413.949	3.504	10	20	HHCD	
O=C(c1ccccc1OC(F)F)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1	792162628	PJGICFQNNKXBHL-UHFFFAOYSA-N	414.811	3.744	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(OC)cc2OC2CCCC2)c(O)c1	792976879	SMSWMZHLBSVPBG-UHFFFAOYSA-N	400.475	3.730	10	20	HHCD	
O=S1(=O)C[C@@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)c2ccccc21	796317980	VIUMFTIYNRJACS-JOCHJYFZSA-N	404.535	3.868	10	20	HHCD	
COc1ccc(N(CCC(C)C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1	796506228	VZXVKSHBPILTQP-UHFFFAOYSA-N	404.532	3.590	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1NC(C)(C)C)c1ccc(N2CCOCC2)cc1	799253266	JUQNDVRPDMVLGT-QGZVFWFLSA-N	424.545	3.550	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCC34CCOCC4)cc2F)C[C@@H](C)O1	799887471	ZIOCJKXBTJMADO-LZJOCLMNSA-N	419.541	3.588	10	20	HHCD	
COc1cccc(-n2c(Sc3ncc([N+](=O)[O-])s3)nc3ccccc3c2=O)c1	799924401	PXLIXWIUYVMSSC-UHFFFAOYSA-N	412.452	3.910	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	801050057	BBDRBMNURMMLNK-AOMKIAJQSA-N	404.555	3.760	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1	801545453	PXDACIHNUWTUGR-UHFFFAOYSA-N	404.532	3.521	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccnc1N1CCCCC1	802609533	FCVWPGUOGDOFSB-UHFFFAOYSA-N	410.518	3.545	10	20	HHCD	
Cc1cc(Br)cc(CN[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1O	802657887	BVVULDGKKAMCBB-LJQANCHMSA-N	417.347	3.786	10	20	HHCD	
CC(C)(C)c1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1	807108062	QOVFRWHBIVNCSB-KRWDZBQOSA-N	402.926	3.528	10	20	HHCD	
CN(Cc1c(Br)cncc1Br)c1ccc2c(c1)OCO2	811488026	GHJHTBRTAVWOGC-UHFFFAOYSA-N	400.070	3.972	10	20	HHCD	
Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc(N(C)C)nc3)n2)c(C)c1	811823148	MOMTYXDVANFFTR-UHFFFAOYSA-N	402.545	3.997	10	20	HHCD	
CN(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cn1	811823416	RLNYAXSDGOAHCM-UHFFFAOYSA-N	400.938	3.787	10	20	HHCD	
CC(C)CC1(C)CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1	812011132	WVGWEUSGXGSDAQ-HXUWFJFHSA-N	414.594	3.746	10	20	HHCD	
Cc1noc([C@@H](C)OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1	913362793	XXYVHUHHFNGZJL-QQMDNXKGSA-N	423.541	3.725	10	20	HHCD	
O=C(CN1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1)Nc1ccccc1	917430329	YDCDCYXTDJTIOZ-UHFFFAOYSA-N	419.525	3.774	10	20	HHCD	
Cc1ccc(SCCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	918188309	HVECIBFIYFKWBT-UHFFFAOYSA-N	403.523	3.562	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)C2CCCC2)c1C	919358701	NAXACNQTKGIWDP-QGZVFWFLSA-N	410.514	3.823	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3C=Nc4ccccc4S3(=O)=O)c2C)cc1	920243332	IHGLCDQIINYULE-UHFFFAOYSA-N	407.495	3.950	10	20	HHCD	
Cc1nc2ccc(S(=O)(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2o1	1116749623	MTLZXPVCPUHADV-UHFFFAOYSA-N	416.440	3.969	10	20	HHCD	
C[S@](=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	1318899070	JXJGFVXKPQWXBR-WNNBVUDTSA-N	423.485	3.816	10	20	HHCD	
O=C1NCCN(Cc2ccc(N3CCCC3)cc2)[C@H]1c1ccc(C(F)(F)F)cc1	1319717923	OGNLZXUDZSVVMM-FQEVSTJZSA-N	403.448	3.979	10	20	HHCD	
CCCN(C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1	1321467578	OEPKUIUVTBCQGK-QGZVFWFLSA-N	408.951	3.787	10	20	HHCD	
COc1cccc(-n2ccn(CN(C)Cc3ccc(N4CCOCC4)cc3)c2=S)c1	16878757	NFBLRFFAASEBPW-UHFFFAOYSA-N	424.570	3.943	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	141694210	GXYMXSMCRFXLEC-KRWDZBQOSA-N	409.530	3.637	10	20	HHCD	
CCS(=O)(=O)N1CCC(NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1	237030064	MEHWSXCTJMFKNO-UHFFFAOYSA-N	410.624	3.891	10	20	HHCD	
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	472811820	PFFYOQKMHZNVNH-UHFFFAOYSA-N	407.518	3.752	10	20	HHCD	
COc1ccc(Br)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1	542954131	QLPUSPSXTYUULL-UHFFFAOYSA-N	406.280	3.955	10	20	HHCD	
Cc1cc(O)c(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1C	725784677	MLOIGQCYILFGLY-UHFFFAOYSA-N	403.320	3.730	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(-n4cccn4)c(F)c3)CC2)cc1	726609074	VNJQREMZALSCAX-UHFFFAOYSA-N	409.465	3.811	10	20	HHCD	
COc1ccccc1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726609314	RMFRLODGCFFDGP-UHFFFAOYSA-N	405.445	3.765	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C	727167950	DQJIFVBTHJUUPE-UHFFFAOYSA-N	407.518	3.583	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCCN(C(C)=O)C2)cc1	728083359	NQZKPWYYIHHMOP-FQEVSTJZSA-N	409.530	3.553	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3csc(-c4ccc(O)cc4)n3)CC2)cc1	728601992	IUIRATOHFVBSFL-UHFFFAOYSA-N	409.511	3.877	10	20	HHCD	
CN(C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)C(=O)OC(C)(C)C	729593379	JEZOSONTNNQNGT-IBGZPJMESA-N	416.566	3.685	10	20	HHCD	
COc1cccc(CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c1O	729859296	MANDOMLJJRCGKG-UHFFFAOYSA-N	402.535	3.662	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2F)CC1	730193324	GBZOJKYYHIJHLG-DLBZAZTESA-N	415.475	3.953	10	20	HHCD	
COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(O)cs2)cs1	731910448	RNNNTVIOTTZJRV-UHFFFAOYSA-N	404.469	3.960	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](C)N1C(=O)OC(C)(C)C	733341792	DMRQKEGPOVNXJC-ROUUACIJSA-N	416.566	3.826	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1	734066050	HZEHOXJEFRPJRI-MRXNPFEDSA-N	407.470	3.935	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCCCNC(=O)NC2CCCCC2)c1	734548888	NXESMZAVQHBMTH-INIZCTEOSA-N	405.539	3.770	10	20	HHCD	
O=C1/C(=C\c2cccc3c2OCCCO3)SC(=S)N1c1ccc2c(c1)OCO2	735328552	BYVIIOJWMYDHFG-RQZCQDPDSA-N	413.476	3.982	10	20	HHCD	
O=C(/C=C/c1ccc2ccccc2n1)NCc1ccc(N2CCC(CO)CC2)cc1	736195521	IJECFRSAQJZDMZ-FMIVXFBMSA-N	401.510	3.773	10	20	HHCD	
CCc1ccc([C@H]2COCCN2C(=O)NC2CCN(c3ccc(OC)cc3)CC2)o1	737049931	ROGZDNQJOWXDBE-OAQYLSRUSA-N	413.518	3.603	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1F	737166743	QEMIGMPVWNUHCI-UHFFFAOYSA-N	417.790	3.819	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	741100288	XQVAVLISUQLRFT-UHFFFAOYSA-N	423.822	3.990	10	20	HHCD	
CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(N2CCOCC2)cc1	741729906	HDAODEXWMHHZTG-UHFFFAOYSA-N	408.329	3.901	10	20	HHCD	
O=[N+]([O-])c1c(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2ccccn12	742423180	FANKTQHWHFXKOG-ZDUSSCGKSA-N	403.389	3.925	10	20	HHCD	
COC(=O)[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1F	743484855	IHHXODYNWZDZNU-KUHUBIRLSA-N	408.420	3.900	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H](COCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	743565386	WATMXSBQFQDELL-RBBKRZOGSA-N	423.557	3.833	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc2c1O[C@H](C)C(=O)N2	743807243	FJEBYRPHPQWROJ-LLVKDONJSA-N	419.275	3.536	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O	744141162	HZIDEDMGGUXNIY-HSZRJFAPSA-N	412.509	3.527	10	20	HHCD	
Cc1csc([C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C2CC2)n1	745653659	XPQYEXGVRJBWFQ-HXUWFJFHSA-N	414.575	3.611	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1O	745923692	RTYDDNSSMIAKSK-LLVKDONJSA-N	402.838	3.665	10	20	HHCD	
COc1ccc(OC2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)cc1	746975351	DWXROCPQCVHZJE-UHFFFAOYSA-N	401.482	3.653	10	20	HHCD	
CSc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl	747759543	HHGZOECWCZAXSW-UHFFFAOYSA-N	404.919	3.901	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1	749730811	WGSYDTVNRUAOAG-UHFFFAOYSA-N	407.414	3.538	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	750642023	JZULFKVVJQSRAD-QUCCMNQESA-N	416.566	3.744	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(-c4ccccn4)c3)CC2)cc1	754875415	PLQYPEWJEVODSM-UHFFFAOYSA-N	403.482	3.728	10	20	HHCD	
C[C@H](NCc1ccccc1Cn1cncn1)c1cc(Br)cc(F)c1O	756393375	NLJILLHNMNGXEP-LBPRGKRZSA-N	405.271	3.784	10	20	HHCD	
C[C@H](NCCOC[C@H]1CCOC1)c1cc(Br)cc(Br)c1O	756564192	RARFECGXBQFCAH-QWRGUYRKSA-N	423.145	3.621	10	20	HHCD	
C[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc2ccccc2c1O	756645746	JMIAXBQEWYGRET-LBPRGKRZSA-N	402.438	3.510	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)c(F)cc1O	756712409	PUWYCDUTMWYPRR-BONVTDFDSA-N	411.246	3.889	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc(N2CCOCC2)cc1	759571973	YCKOFUJLERHLOV-OAHLLOKOSA-N	406.577	3.522	10	20	HHCD	
CN(C)c1ccc(-c2cncc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cc1	760192422	NFQRVVDNQSIMSF-UHFFFAOYSA-N	416.525	3.581	10	20	HHCD	
Cc1nc(CC(C)C)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1	761026780	VPPAFXAMWCRVGZ-UHFFFAOYSA-N	400.548	3.505	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](CO)COC(C)C)c(C)n1-c1ccc(Br)cc1	762563457	NEHHKUNLTNQFCY-GOSISDBHSA-N	423.351	3.715	10	20	HHCD	
Cc1cc(C(=O)Nc2ccccc2N2CCC(CO)CC2)c(C)n1-c1ccccn1	763010383	MJDDYDJVQSKJCT-UHFFFAOYSA-N	404.514	3.950	10	20	HHCD	
OC[C@@H](CNCc1cc(Cl)cc(F)c1O)Cc1ccc(Br)cc1	763426702	XJCBIBLWUSWTJM-GFCCVEGCSA-N	402.691	3.888	10	20	HHCD	
CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	765381113	FHHNRNAOPCMOPC-INIZCTEOSA-N	401.938	3.777	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(Br)c1O)c1noc(-c2ccccc2)n1	765534436	KSWQQFCXVIEOSZ-NSHDSACASA-N	417.263	3.765	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC(C(F)F)CC1	767082321	HNFOXUJCFUFFBV-ZDUSSCGKSA-N	412.436	3.766	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)nc1C	768012659	XVXYUVKJSGTJOI-UHFFFAOYSA-N	400.888	3.928	10	20	HHCD	
CN1CCC(N(C)c2ccccc2CN(C)Cc2ccc(N3CCOCC3)cc2)CC1	768208961	WRMKZUCZTRYAMS-UHFFFAOYSA-N	422.617	3.686	10	20	HHCD	
COc1ccc(CCC(=O)N2CCCN(Cc3c(O)cccc3Cl)CC2)cc1	769208017	IMQLKOLEKRLTQR-UHFFFAOYSA-N	402.922	3.721	10	20	HHCD	
O=C(Oc1ccccc1)N1CCCN(Cc2cccc(Br)c2O)CC1	769302621	UJCHQPXKDCFBCF-UHFFFAOYSA-N	405.292	3.861	10	20	HHCD	
C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	769674563	QTJMVJLEALARSC-UKRRQHHQSA-N	408.545	3.905	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(O)c1O	770470147	YIENVRWNVQMOBP-UHFFFAOYSA-N	416.430	3.598	10	20	HHCD	
Cc1cc(C(=O)NCCC(=O)NCc2ccccn2)c(C)n1-c1ccc(Cl)cc1	773967583	ADONHKLAGBMLIM-UHFFFAOYSA-N	410.905	3.579	10	20	HHCD	
COc1ncc(/C=C/C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cn1	775846363	VRCTVWFGIRRQJP-CSKARUKUSA-N	424.501	3.503	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3cc(Cl)cc4cccnc34)CC2)cc1	776749151	GPRPZHBDWLSYBL-UHFFFAOYSA-N	411.889	3.624	10	20	HHCD	
O=[N+]([O-])c1cc(CNCC2CCN(CC(F)(F)F)CC2)ccc1N1CCCCC1	780550832	WKTLCTSIOLMRSS-UHFFFAOYSA-N	414.472	3.949	10	20	HHCD	
COc1cc(C)ccc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1	780599756	LTVXYEDMFUPRKO-UHFFFAOYSA-N	403.482	3.748	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1C1CCCCC1	781341688	NKPPLNQDAJFSEB-UHFFFAOYSA-N	414.525	3.727	10	20	HHCD	
CC(C)(C)OC(=O)Nc1cnc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cn1	783587536	CQTPDIHYWDZDTF-UHFFFAOYSA-N	424.457	3.965	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccccc1OC(F)F	787363724	CENPTCSOLFNEBO-OAHLLOKOSA-N	419.472	3.580	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(O)c1	794373905	OKXCLWVDHWHTOS-GJZGRUSLSA-N	413.474	3.721	10	20	HHCD	
COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCc2ccc(OC)cc2O)cc1	794382834	JFOAZGZCPQRSEY-UHFFFAOYSA-N	424.428	3.731	10	20	HHCD	
CCOC1(C)CCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	794639739	DBEDJFJHXKYDQQ-MRXNPFEDSA-N	420.509	3.680	10	20	HHCD	
CC[C@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(F)cc1O	796994795	VNGDDUUKECRYOH-WMZHIEFXSA-N	411.477	3.997	10	20	HHCD	
CC(=O)N1CCC[C@H](CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	799984439	YXCMVYGSTDJMFD-VQIMIIECSA-N	420.985	3.634	10	20	HHCD	
CC(C)[C@H](C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)N1CCCC1=O	800049823	WXNJYMSWMOFEKV-HRAATJIYSA-N	405.970	3.840	10	20	HHCD	
CCC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800050116	NMRGHLLGJNVWQJ-OXJNMPFZSA-N	405.970	3.984	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H](C)c3ccc(F)cc3)cc2)CC1	805024682	TWWCRMWKUMGQSM-SFHVURJKSA-N	411.521	3.898	10	20	HHCD	
Cc1ccc(N2CCNC2=O)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806471820	JHLIHGHSVQXPBW-UHFFFAOYSA-N	409.273	3.859	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-c2cccnc2)cc1	808355986	RDQCLAPTWAXYNH-GOSISDBHSA-N	416.525	3.650	10	20	HHCD	
CON(C[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	812009298	NLQUSMQHQYFVDG-WMZOPIPTSA-N	407.530	3.686	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(-c4ccccn4)n3CC(C)C)CC2)cc1	812213543	GAKVXFBOHXNFDI-UHFFFAOYSA-N	406.534	3.721	10	20	HHCD	
CC[C@H](CS(=O)(=O)c1ccccc1)NC1CCN(c2ccc(OC)cc2)CC1	812840418	VTPPXANAVPTYFO-GOSISDBHSA-N	402.560	3.506	10	20	HHCD	
CCN(C[C@H](C)OC)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	813320741	XQLYMAWMDJKMMJ-JMRXEAOASA-N	412.602	3.613	10	20	HHCD	
O=C(CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1)NC1CCOCC1	814772318	TUFFXGVHOIUJCU-CXUHLZMHSA-N	418.565	3.900	10	20	HHCD	
CCc1ccccc1NC(=O)CN1CCN(Cc2cc(Cl)c(F)cc2O)CC1	816482826	UYNSHRRLUJPPGJ-UHFFFAOYSA-N	405.901	3.503	10	20	HHCD	
COCC1(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CCOCC1	816790379	WRYSBGFXUDCZFQ-UHFFFAOYSA-N	404.938	3.849	10	20	HHCD	
COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cccnc3Cl)n2)c1	861597419	AXULZUKYQZQLKC-UHFFFAOYSA-N	411.892	3.677	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)cc1	912760158	INXHEZJCJMGQOS-INIZCTEOSA-N	411.329	3.564	10	20	HHCD	
Cn1cnc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1Cl	914578349	YLHIBVXEKQDDNS-UHFFFAOYSA-N	410.864	3.851	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(OCCOC)c(C)c2)cc1	914877651	YWJSFZRASXZOFH-UHFFFAOYSA-N	420.575	3.687	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c(C)n1-c1ccccn1	914903123	FWOIOWIOTKRNAT-NRFANRHFSA-N	407.445	3.805	10	20	HHCD	
O=C(CNc1ccn(-c2ccccc2)n1)Nc1cccc2c1C(=O)c1ccccc1C2=O	918186361	DLITYQMAPUCZEK-UHFFFAOYSA-N	422.444	3.698	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	920867071	MXYQPKSGODERFP-HNNXBMFYSA-N	423.435	3.982	10	20	HHCD	
CN(C)c1ccc([C@@H](CNCc2cccnc2N(C)C)NC(=O)OC(C)(C)C)cc1	1323379704	VVUWIKKYHTULJV-HXUWFJFHSA-N	413.566	3.569	10	20	HHCD	
Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)c[nH]1	1845398562	BTVMHHOHJRHPLH-UHFFFAOYSA-N	416.525	3.861	10	20	HHCD	
CCn1c(-c2ccco2)nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=S	16878638	OELYGMOSZFTCTP-UHFFFAOYSA-N	413.547	3.620	10	20	HHCD	
C[C@H]1CCc2c(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)csc2C1	27215890	MOWUXGKMWVHBLY-HNNXBMFYSA-N	400.544	3.754	10	20	HHCD	
COc1ccc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	55529811	YIDXYCYVSNGQNQ-IRXDYDNUSA-N	400.494	3.697	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2nnc(S)n2C2CC2)c1	111195579	GLMKWLWMXKJLHW-UHFFFAOYSA-N	401.923	3.893	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(S(=O)(=O)C(C)(C)C)nc3)CC2)cc1	301534209	ACFNMEUWKAHLIC-UHFFFAOYSA-N	403.548	3.743	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCCN(Cc4cscn4)CC3)c2C)cc1	303185881	LRKNNQXBYROORG-UHFFFAOYSA-N	424.570	3.907	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1F	303353981	OGGDVCMGXBPHHI-UHFFFAOYSA-N	422.545	3.871	10	20	HHCD	
Cc1c(CNC(=O)[C@@H]2CCCN2c2ncnc3sccc23)n(C)c2ccccc12	471238811	MGXMWJBOGDXYFO-SFHVURJKSA-N	405.527	3.777	10	20	HHCD	
Cc1cc(C(=O)Nc2ccn(CC(=O)N(C)C)n2)c(C)n1-c1cccc(C(C)C)c1	725755257	PSPDEAGJWCAJJR-UHFFFAOYSA-N	407.518	3.755	10	20	HHCD	
Cc1cc(C(=O)Nc2nn3cnnc3s2)c(C)n1-c1cccc(Br)c1	725880819	HQGUUMLNWFSSKR-UHFFFAOYSA-N	417.292	3.608	10	20	HHCD	
C[C@@H](COc1ccc(F)cc1F)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	726239656	NOXQGCRXGIBWMK-HOTGVXAUSA-N	419.472	3.629	10	20	HHCD	
COC(=O)c1cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccc1Cl	726697008	ZBZCTIAIHKQHPV-UHFFFAOYSA-N	417.893	3.926	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Br)cc1	727240671	RRFJOKDZKAPEIA-OAHLLOKOSA-N	404.352	3.824	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c(Cl)c1	727362213	JTWUGLIRWMQYMO-UHFFFAOYSA-N	404.923	3.760	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCOc2cccc(Br)c2)c1	728947149	ODCXFIJCWXIGLN-LBPRGKRZSA-N	409.280	3.603	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCc3nc(-c4ccccn4)no3)cc2)CC1	731016475	SPNCZBMXTAUZMT-UHFFFAOYSA-N	405.502	3.617	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(C)C[C@H]3COc4ccccc4O3)cc2)CC1	731049002	VZFJHGWOARECQG-NRFANRHFSA-N	409.530	3.904	10	20	HHCD	
Cc1cc(C(=O)NCCCN2CCCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1	733885780	RVVXAFRUEVYMIN-UHFFFAOYSA-N	410.606	3.975	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1C	735582059	DRPASADMMRJKOH-NRFANRHFSA-N	424.545	3.691	10	20	HHCD	
COCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1	740800681	NIDKQFLKZGSYFF-UHFFFAOYSA-N	416.543	3.739	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@H]3CCCC[C@@H]3S(C)(=O)=O)c2C)c1	742183289	DFJMHQQNPGEGHF-SFTDATJTSA-N	402.560	3.830	10	20	HHCD	
C[S@](=O)Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742798096	JGFBVIIPWUMFJO-JWRCQZCYSA-N	422.497	3.565	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2ccccc2nc1O	742799650	MENIEKAIBAHUJY-OAHLLOKOSA-N	413.424	3.941	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(COc2ccc(F)cc2)n1	742952852	SUONRBWLACZUQJ-UHFFFAOYSA-N	413.474	3.966	10	20	HHCD	
COc1ccc(N(Cc2csc(CS(C)(=O)=O)n2)Cc2ccco2)cc1F	744404173	JHBPVLNJDAWARS-UHFFFAOYSA-N	410.492	3.635	10	20	HHCD	
COc1cccc(CNC(=O)NCCc2ccc(-c3csc(C)n3)s2)c1O	745399124	RKZQAZOGUINBIY-UHFFFAOYSA-N	403.529	3.936	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2ccc(Cl)cc21	746947748	UBNXOWCBHXSIJR-UHFFFAOYSA-N	403.885	3.713	10	20	HHCD	
CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	748692524	DQAONAYUINQPNM-HXUWFJFHSA-N	402.922	3.993	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1Cl	749731507	QYGLDABITFRFOE-UHFFFAOYSA-N	413.952	3.822	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccncc3)on2)cc1	751402970	APUALENXQKVMHP-HXUWFJFHSA-N	406.486	3.624	10	20	HHCD	
CCOc1ccc(N2C[C@H](C(=O)N(CC)Cc3ccc(N(C)C)cc3)CC2=O)cc1	752656620	RZRURLWOQOYYOH-LJQANCHMSA-N	409.530	3.553	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN[C@@H](C)C3CCCCC3)cc2F)C[C@@H](C)O1	754121219	AQCJVSUBGPFKRQ-KSZLIROESA-N	405.558	3.614	10	20	HHCD	
O=C(Cc1ccc2c(c1)COC2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754318305	BZDRSXAJXIBXNB-SFHVURJKSA-N	402.441	3.646	10	20	HHCD	
Cc1nccc(NCc2cccc(C(=O)NCc3ccc4c(c3)CCCN4C)c2)n1	755195885	OSMHFQVXFWIIHU-UHFFFAOYSA-N	401.514	3.710	10	20	HHCD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	755939509	FCKRONSKCMBPRW-HNNXBMFYSA-N	404.913	3.935	10	20	HHCD	
C[C@@H](NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cc([N+](=O)[O-])ccc1O	756396856	MJAAARPAATYRTB-MRVPVSSYSA-N	415.759	3.866	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CCC[C@H]1CO)c1ccc(Br)cc1O	757638626	MIKAOZDRNWWRSJ-BEFAXECRSA-N	419.363	3.962	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@](C)(c4ccccc4)C3)CC2)cc1	760166084	OZJFHNPDJUFKQE-DEOSSOPVSA-N	409.530	3.621	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@@H](O)COc1cccc2[nH]ccc12	760869945	YGGSPZMVXCKYGJ-MRXNPFEDSA-N	419.319	3.898	10	20	HHCD	
CCO[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C12CCCCC2	761484535	UDFHOBLQRKGMAW-ZWKOTPCHSA-N	406.910	3.938	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	761787778	PNAQGUSUVTVZTO-HSZRJFAPSA-N	422.573	3.864	10	20	HHCD	
Cc1cc(C)c(Br)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	763425545	KVGIQIPNWICCQP-UHFFFAOYSA-N	421.310	3.972	10	20	HHCD	
COc1cc(C)c([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1OC	765246602	VVGPLDHBORMCHS-HKUYNNGSSA-N	411.546	3.565	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cc(N2CCCC2=O)ccc1F	765251799	LAQLDKNXHAZRPA-UHFFFAOYSA-N	422.254	3.742	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Br)cc3)CC2)cc1	765531736	XYBJSMBPQZJKKU-MRXNPFEDSA-N	417.347	3.985	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1	765659989	PWGLICCTFKGILR-ZWKOTPCHSA-N	401.576	3.997	10	20	HHCD	
Cc1nn(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1-c1ccccc1	768096682	DPOHRLBXJGXTKS-NRFANRHFSA-N	405.498	3.772	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccccc2OCC(=O)N2CCCC2)C2CC2)cc1	768257726	OWYMOUOQLJFOEI-UHFFFAOYSA-N	407.558	3.918	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(/C=C(\C)c4ccccc4)n3)CC2)cc1	771069910	ZLGOKCFQHQVHCJ-FBMGVBCBSA-N	418.497	3.530	10	20	HHCD	
COc1cc(Cl)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	773222233	XGLPBZOFECAWAA-UHFFFAOYSA-N	415.921	3.936	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCCC2)cc1	775256412	YTWSPBWGHGULTP-PMACEKPBSA-N	422.573	3.801	10	20	HHCD	
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775402444	BBBOUBJKKGIFDO-GAJHUEQPSA-N	420.557	3.795	10	20	HHCD	
CC[C@H](C)n1nc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1C	776043152	ULFSXZAUDDOLCT-KRWDZBQOSA-N	411.550	3.654	10	20	HHCD	
CC(C)N1C(=O)C[C@@H](C(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1	776473273	IDFMIMUMAUXGLU-FOIQADDNSA-N	404.869	3.799	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC(Cn3cncn3)CC2)cc1)C1CCCCC1	777474934	KQIXWKHDQHQZNR-UHFFFAOYSA-N	410.566	3.669	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc2ccc(F)cc2nc1C	777828190	JHFYZYUFWQTFDB-UHFFFAOYSA-N	416.836	3.857	10	20	HHCD	
COC(=O)C(C)(C)[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1	779605604	VVRVYRKZDSGSAC-ZDUSSCGKSA-N	400.313	3.575	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)cc2)C1	782726267	OSYFVIAWIGIYTK-DJIMGWMZSA-N	417.962	3.523	10	20	HHCD	
Cc1nc(N2CCOCC2)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	782793734	WWGNFGSWCRSYOT-UHFFFAOYSA-N	411.550	3.735	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	782836515	AYWMJASJNAQWOY-GASCZTMLSA-N	416.453	3.978	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccnn1CC1CC1)c1ccc(N)cc1	783485181	HKHSKMQQSDAQBR-MRXNPFEDSA-N	403.486	3.608	10	20	HHCD	
COc1cccc(CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c1O	787444533	GNSVZRIBJRNLNN-UHFFFAOYSA-N	402.903	3.960	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	787510683	JKWKKYIMCGYYKQ-OAHLLOKOSA-N	422.437	3.946	10	20	HHCD	
CN(C)c1ccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)c(C(F)(F)F)c1	793188760	RHOJQHCUUCFLOY-UHFFFAOYSA-N	419.455	3.556	10	20	HHCD	
COc1ccc(NCc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCCC1	796391833	PUMQULWIZZPNJE-UHFFFAOYSA-N	403.548	3.548	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(-c3cccnc3)ccc2C)c1	796791807	TWCDEMGKAJFVJR-HNNXBMFYSA-N	405.454	3.587	10	20	HHCD	
COC(=O)CC1(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CCOCC1	803572586	HVBUEDBBEORWRA-UHFFFAOYSA-N	418.921	3.837	10	20	HHCD	
CCNC(=O)COc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	806188186	ZKIPPYUHUKTILY-UHFFFAOYSA-N	412.273	3.536	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCc3ccccc3Cl)cc2)C1	810183000	OSOMKKHKFJKXCA-LJQANCHMSA-N	413.949	3.681	10	20	HHCD	
CC[C@@H](NCc1ccc(OCC(N)=O)c(OC)c1)c1ccc(C(F)(F)F)cc1O	810213817	IEPOXQRJNDWHST-OAHLLOKOSA-N	412.408	3.525	10	20	HHCD	
COc1cccc(C(=O)CCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	814259292	HZENACKIOXBTKE-UHFFFAOYSA-N	410.514	3.543	10	20	HHCD	
C[C@](O)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Cl)cc1	815257091	FHEJGTIWXLOEKZ-OAQYLSRUSA-N	424.875	3.934	10	20	HHCD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cc2C[C@H]1C	831878271	ZPNFAKUJYVAYKH-LLVKDONJSA-N	419.553	3.970	10	20	HHCD	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1	913073022	KXVKAHJQVYKYJB-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
CCOc1ccccc1N1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O	914436919	DODXFZVRPQOOKQ-IBGZPJMESA-N	421.541	3.695	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1F	915219297	HGEQTRKJOCAVJJ-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
CC(=O)c1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1	915749437	WCYOPFKDMSJLGP-UHFFFAOYSA-N	403.482	3.594	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c(C)n1-c1ccccn1	917137566	UFLLEGHAMMIARZ-UHFFFAOYSA-N	420.488	3.663	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)cc3)cc2F)C[C@@H](C)O1	917999008	UIBILPFGDOWREW-IYBDPMFKSA-N	403.473	3.620	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N(CC(C)C)CC(C)C)CC2)cc1	918199015	YOWSYBYTASVVJH-UHFFFAOYSA-N	404.599	3.531	10	20	HHCD	
C[C@H]1CCC[C@@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	920010040	PJOZUUKOCRIGLV-UONOGXRCSA-N	406.438	3.926	10	20	HHCD	
CN(Cc1cccc(Br)c1)C(=O)NCc1ccc(N2CCOCC2)cc1	920056493	TXQFBKUKXKBWME-UHFFFAOYSA-N	418.335	3.627	10	20	HHCD	
C[C@@H](NC(=O)Nc1cc2c(cc1Cl)OCO2)c1ccc(N2CCOCC2)cc1	920873203	ZSDINBAGRHXGDH-CYBMUJFWSA-N	403.866	3.788	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C	920920864	NLMAJUCQKVRWDD-SIKLNZKXSA-N	404.599	3.640	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccc(N2CCOCC2)cc1	920922247	ABLXGCBMCDIYSC-CYBMUJFWSA-N	422.312	3.646	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccccc1N1CCN(C)CC1	1256696287	CXJIVAHXUOZBAZ-UHFFFAOYSA-N	410.562	3.656	10	20	HHCD	
COc1ccccc1[C@H](C)NC(=O)COC(=O)c1sc2nc(C)cc(C)c2c1N	14152049	VZXUEEZVVWGPLL-ZDUSSCGKSA-N	413.499	3.538	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccccc2S(=O)(=O)N2CCCCC2)cc1	30659748	YIBRWUXJHNGTGI-UHFFFAOYSA-N	415.603	3.997	10	20	HHCD	
COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	72083430	ZXKDMBIKSWDOLD-GOSISDBHSA-N	416.953	3.835	10	20	HHCD	
Oc1ccccc1CN(C[C@H]1CCCO1)c1ccc2nnc(-c3ccccc3F)n2n1	301959158	ORNGHAKYTWPPRS-QGZVFWFLSA-N	419.460	3.822	10	20	HHCD	
COc1cc(N(C)CC(=O)Nc2ccccc2Br)cc(OC)c1OC	303923630	PETCKXAQMUQOEY-UHFFFAOYSA-N	409.280	3.550	10	20	HHCD	
Cc1c(CNC(=O)Cc2ccccc2I)n(C)c2ccccc12	471238857	MWVHWNJEQYEFHR-UHFFFAOYSA-N	418.278	3.950	10	20	HHCD	
COCCn1cc2c(n1)[C@H](NC(=O)c1ccc3c(c1)c(C)c(C)n3CCOC)CCC2	506108029	IABTUVIQDWVDPT-OAQYLSRUSA-N	424.545	3.555	10	20	HHCD	
Cc1cc(CNC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c2[nH]c(C)c(C)c2c1	552564708	VJTPZJOKDOXQKI-UHFFFAOYSA-N	416.525	3.826	10	20	HHCD	
O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1c[nH]nc1-c1ccccc1F)CC3	559953313	HWWFVVORPLPXHK-FMIVXFBMSA-N	402.385	3.568	10	20	HHCD	
O=C(NC[C@H]1CC1(Cl)Cl)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726610564	LBJBWEYGEIQHIA-LLVKDONJSA-N	408.276	3.750	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)COc3ccc(F)cc3F)CC2)cc1	726613651	QADHFTLDBCKKFK-HNNXBMFYSA-N	419.472	3.709	10	20	HHCD	
Cc1cc(CC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c(C)n1-c1ccc(Cl)cc1	729447279	VTCNCNMQYSPUKS-IRXDYDNUSA-N	403.954	3.515	10	20	HHCD	
Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1ccc(N3CCOCC3)c(F)c1)CCC2	732449076	LTCJEVJFGDJFBE-IBGZPJMESA-N	418.538	3.646	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1	732953293	GMKCGBAYUDWQDV-JWGURIENSA-N	403.482	3.775	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c(C)n1-c1cccc(Cl)c1	733157298	YYLVYQDDMZZQEQ-JOCHJYFZSA-N	416.997	3.749	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Oc3ccc(NC(=O)COC)cc3)ccc21	733271840	PJQRQFOBQAKKRI-UHFFFAOYSA-N	410.470	3.709	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4ccc(F)cc34)cc2F)C[C@H](C)O1	734319831	BXGAVTUBJJUQJG-GJZGRUSLSA-N	413.468	3.919	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(-n2cccn2)c1	735011560	LTOVUKRQERILQY-UHFFFAOYSA-N	412.440	3.873	10	20	HHCD	
CN(C)c1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)c1	735509560	BEHDDUKSGPIAKQ-HSZRJFAPSA-N	408.546	3.636	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3cc(-c4ccccc4)on3)cc2F)C[C@H](C)O1	735853211	HAIDUQONDAPWAO-IRXDYDNUSA-N	423.488	3.953	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](c2ccccc2F)N2CCOCC2)cc1	742497367	GUKQPBORNRDBAG-QHCPKHFHSA-N	413.537	3.704	10	20	HHCD	
CN(C)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F	742804784	BKCJUPLXQVOKCA-HNNXBMFYSA-N	407.436	3.892	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)c1	743910573	RQHBEFOFEVYNOV-UHFFFAOYSA-N	402.516	3.606	10	20	HHCD	
CCCC(O)(CCC)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905832	RNRKPSUHQHIYEB-INIZCTEOSA-N	413.509	3.887	10	20	HHCD	
O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)Nc1ccc(N=Nc2ccccc2)cc1	746022083	VMYYAVQJFNLQLU-LHSJRXKWSA-N	406.446	3.602	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C(=O)c2cnn(C)c2)c(C)n1-c1ccc(C(C)C)cc1	748432007	JBVAAFPSKGKOSY-UHFFFAOYSA-N	407.470	3.560	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1CCC(C)C	749772281	VSYPUDHYEIPTEV-IAGOWNOFSA-N	416.541	3.920	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2F)C[C@@H](C)O1	749910834	GQUMSCMRSYMTOO-BETUJISGSA-N	421.856	3.931	10	20	HHCD	
O=C(Nc1ncc(Cl)s1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751069296	ICAOZCALJUPNDA-UHFFFAOYSA-N	415.905	3.617	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)c1	751318679	OCTNZBOIRNXSMI-JTQLQIEISA-N	410.542	3.934	10	20	HHCD	
CCOc1cc(Cl)ccc1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	752148407	HETOXIHBNBZFNT-UHFFFAOYSA-N	421.900	3.714	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccc(C(F)(F)F)cc3)CC2)cc1F	753795435	IXBUWXPNEZTDKE-UHFFFAOYSA-N	411.399	3.885	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(-c2ncco2)c1	754469787	WEEYCGXYVBDZJA-UHFFFAOYSA-N	406.486	3.872	10	20	HHCD	
C[C@H]1CN(CCCN[C@@H](C)c2cc(Br)cc(Cl)c2O)C[C@@H](C)O1	756367509	NBXVQJWNBIFOEH-XQQFMLRXSA-N	405.764	3.958	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(N[C@H]2C[C@H](C)c3c(F)ccc(O)c32)CC1	756511033	KYQIKIAVSBHNLD-KXBFYZLASA-N	412.505	3.912	10	20	HHCD	
CSC[C@H](CCO)N[C@@H](C)c1cc(Br)cc(Br)c1O	756601856	BOCPCWVUALVYOG-WPRPVWTQSA-N	413.175	3.682	10	20	HHCD	
O=C(Nc1cccn(CC(F)(F)F)c1=O)N(Cc1ccco1)Cc1ccccc1O	757253838	JGEXGGZKXUSWEZ-UHFFFAOYSA-N	421.375	3.944	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccnc2Br)cc1	757636748	AEHOMEDXKCIINI-KRWDZBQOSA-N	418.335	3.732	10	20	HHCD	
CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	758150673	DPZYHVLDDKRBKD-AWEZNQCLSA-N	423.435	3.827	10	20	HHCD	
CC[C@@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)C1CCCCC1	759256843	GLHLZIRBYCNJGS-LJQANCHMSA-N	419.566	3.903	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)NCCCSc2nccs2)n1	759584407	NEOVEUWMDNBCJJ-GFCCVEGCSA-N	419.532	3.744	10	20	HHCD	
O=C(NCCC[C@@H]1CCCCO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	760707435	GSYQRWGESMYQQQ-AEFFLSMTSA-N	411.493	3.905	10	20	HHCD	
C[C@@H](COCc1ccccc1)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761151723	OKJJAAOFMOTCBT-OAHLLOKOSA-N	402.878	3.663	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1N(C)C1CCCC1	762450556	LRPOSZBDKSWOCY-UHFFFAOYSA-N	408.546	3.695	10	20	HHCD	
C[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	765326763	UAGLWLOGZYQJRQ-JXFKEZNVSA-N	424.463	3.633	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@@H](Cc3ccccc3)c3ccccc3)cc2)CC1	765977827	JHDWXNAQENVVTN-VWLOTQADSA-N	420.578	3.995	10	20	HHCD	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(-c2cc(C)ccc2OC)cs1	766744362	WEBYSKUWOPVNOW-UHFFFAOYSA-N	420.560	3.786	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)C[C@H](O)c3ccc(F)cc3)CC2)cc1	766939305	JXCCBZLKYCGRCU-ZHRRBRCNSA-N	415.509	3.615	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccccc3COC3CCOCC3)CC2)cc1	767938126	LIBZZYQUMLZPNX-UHFFFAOYSA-N	424.541	3.790	10	20	HHCD	
C[C@@H](OCc1ccccc1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771058806	OATLCXOOZWDYHN-UZLBHIALSA-N	402.922	3.732	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccnc2)c1)c1ccc(N(C)C)cc1	773860099	YRXJLOIDJOKGHW-KRWDZBQOSA-N	418.497	3.543	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1	775127951	BSQMAUSHVCHXRT-KSSFIOAISA-N	421.538	3.845	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2c(F)cc(F)cc2Br)c1	775373779	XECKQEPIZJHJPT-VIFPVBQESA-N	415.234	3.731	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	776078144	UXVVNIMWSJDABV-CECAUBDESA-N	416.493	3.998	10	20	HHCD	
O=C(/C=C\C(=O)N(Cc1ccco1)Cc1ccccc1O)Nc1ccc2n[nH]cc2c1	778890528	JPMIQTCGLLTKGI-KTKRTIGZSA-N	416.437	3.585	10	20	HHCD	
COc1ccc(CN2C(=O)/C(=C/c3cc(Br)nn3C)SC2=S)cc1	779202352	AJQKZUQEFIGHFV-QPEQYQDCSA-N	424.345	3.593	10	20	HHCD	
Cn1cc(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)c(-c2cccnc2)n1	780779338	YGFBWYHQWAVGAI-LJQANCHMSA-N	401.514	3.598	10	20	HHCD	
COCC(=O)N1CCc2cc(NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)ccc21	782847443	OSJQZBAOTNIBGD-UHFFFAOYSA-N	424.545	3.731	10	20	HHCD	
CC(=O)N1CCN(c2cccc(N[C@@H](C)c3cc(Br)ccc3O)c2)CC1	783299195	SUNNMTKGSOIMOZ-AWEZNQCLSA-N	418.335	3.996	10	20	HHCD	
O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc(O)c1O	789854496	BWYXJFWUSWPCPO-QGZVFWFLSA-N	413.271	3.969	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@H]1CSCCS1	791245724	FLQYUKNDISBXKR-KRWDZBQOSA-N	410.605	3.614	10	20	HHCD	
CCc1occc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	797731796	IVPRGWKSOKIGEN-SFHVURJKSA-N	401.507	3.904	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](N4CCCC4)C3)cc2Cl)C1	800720545	UOJVRMKIJBETQT-MJGOQNOKSA-N	404.986	3.956	10	20	HHCD	
CC(C)c1nnc2ccc(NC(=O)NCc3cccc(Br)c3O)cn12	801741198	ATEGHEFUOUDQMC-UHFFFAOYSA-N	404.268	3.643	10	20	HHCD	
Cc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1C	802187844	SRCJHJXMFFTJJW-JOCHJYFZSA-N	404.514	3.672	10	20	HHCD	
COC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1F	806130818	DOWCAUYRDZSTQH-JXFKEZNVSA-N	419.928	3.658	10	20	HHCD	
O=C(NCCNC(=O)c1ccccc1Cl)NCc1cc(Cl)cc(Cl)c1O	806365903	DPASIQKTEQUDNI-UHFFFAOYSA-N	416.692	3.582	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c1OC	806554403	SLFQZVNZZXZAAL-PTNGSMBKSA-N	409.529	3.858	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21	807103912	XJJFMDMUFWAMLA-JOCHJYFZSA-N	422.573	3.634	10	20	HHCD	
COc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290254	RZYMVWUTXGUJQW-QFIPXVFZSA-N	421.541	3.591	10	20	HHCD	
O=C(c1ccco1)N1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1	809538309	XOHLRYIXMYRBQK-UHFFFAOYSA-N	401.510	3.800	10	20	HHCD	
CSC[C@@H]1CCCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1	813590083	HJIWCNHQPQHLSR-JFIYKMOQSA-N	409.571	3.724	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	915081109	MWHCXVHQXVSDPH-JOCHJYFZSA-N	421.541	3.607	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCN(C(=O)C2CC2)CC1	915759128	UHEBXJHILUYQTQ-UHFFFAOYSA-N	419.485	3.558	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1	916220628	QUUDMCZMILQIPA-OAQYLSRUSA-N	421.570	3.562	10	20	HHCD	
CN(C)c1ccc(CN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C2CC2)cc1	917075457	WDSIIGOIJSTPJU-UHFFFAOYSA-N	424.564	3.595	10	20	HHCD	
COc1ccc(N2CCCN([C@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc1	917088363	RQPFCDOXCDHSAC-QGZVFWFLSA-N	401.938	3.566	10	20	HHCD	
Cc1ccn(-c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2)n1	917712293	IMBFPVZXJBPIKZ-QZTJIDSGSA-N	422.504	3.863	10	20	HHCD	
Cc1cc(C(=O)NCC(C)(C)N2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1	1328351832	SWZDNTPJCKOETH-UHFFFAOYSA-N	410.606	3.973	10	20	HHCD	
Cc1ccc(Cl)cc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	1353987113	DGXJPTKYULBDEC-UHFFFAOYSA-N	401.938	3.857	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)c3ccco3)c2C)cc1C	5230333	UPWBRPMAEKDLOA-KRWDZBQOSA-N	422.481	3.848	10	20	HHCD	
C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(N2CCOCC2)cc1	145709364	KJYFDKNYCMHDMJ-IBGZPJMESA-N	417.509	3.988	10	20	HHCD	
C[C@H](Oc1cccc(Br)c1)C(=O)NCc1ccc2c(c1)CCCN2C	304001928	KGTKXCJFYIUKTA-AWEZNQCLSA-N	403.320	3.915	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CN(C)C[C@@H]3c3ccccc3)ccc21	497403438	HDJIYAAXFGCXHY-PKTZIBPZSA-N	405.542	3.732	10	20	HHCD	
Cc1ccc(C2=S=C(C(=O)Nc3ccc(CS(=O)(=O)C(C)C)cc3)C=C2)o1	514234631	QJDIJWGBVPJWBV-UHFFFAOYSA-N	403.525	3.546	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)CC(=O)Nc3c(C)cccc3C)CC2)cc1	726714924	BKIVDMYHOFCERY-UHFFFAOYSA-N	424.545	3.561	10	20	HHCD	
C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)c1ccc(N2CCOCC2)cc1	727147433	CWSXOXLTYQDGQN-KRWDZBQOSA-N	417.550	3.538	10	20	HHCD	
C[C@H](NC(=O)c1csc(-c2ccc(O)cc2)n1)c1ccc(N2CCOCC2)cc1	728603198	AWGZWIDVCZPUPH-HNNXBMFYSA-N	409.511	3.843	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(C3CC3)[C@H](C)C3CC3)ccc21	728639648	RBFICMCBTSGKKS-QGZVFWFLSA-N	412.530	3.851	10	20	HHCD	
CC(C)Sc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	728975768	MYUJPEVVOGUTEO-ZDUSSCGKSA-N	408.545	3.755	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1	729049222	IFMJFUJRYVHDSD-KGLIPLIRSA-N	412.490	3.806	10	20	HHCD	
O=C(CN(c1ccccc1)C1CCCC1)NCc1ccc(N2CCOCC2)c(F)c1	731214962	YVSZEWMWWQXVEY-UHFFFAOYSA-N	411.521	3.728	10	20	HHCD	
Cc1cc(C(=O)NCCc2nnc(S)n2C2CC2)c(C)n1-c1ccc(Cl)cc1	731444693	FBOXZTRQUFPLGZ-UHFFFAOYSA-N	415.950	3.935	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccn(C(C)C)n2)c(C)n1-c1ccc2c(c1)OCCO2	733589365	MKWZXPVYBYNOGX-UHFFFAOYSA-N	423.469	3.682	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1	734174866	LIBXHKZVKBINCQ-UHFFFAOYSA-N	413.909	3.840	10	20	HHCD	
Cc1cc(C(=O)CSc2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	735233471	YKOAKXSHCDVNBO-UHFFFAOYSA-N	406.554	3.778	10	20	HHCD	
COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1cc(OC)ccc1O	741284231	KBBGXWZKLDBWEW-HNNXBMFYSA-N	422.319	3.675	10	20	HHCD	
COc1ccc(N2CCN(Cc3nc(O)c4c(-c5ccco5)csc4n3)CC2)cc1	742843444	NTHYLYPQOCXBGI-UHFFFAOYSA-N	422.510	3.988	10	20	HHCD	
CCc1ncc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1	747145848	KKLONFXOTPFAJP-ZROIWOOFSA-N	418.569	3.721	10	20	HHCD	
CCCNC(=O)[C@H]1CCCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	747979575	ISWUCPUCJZQZJO-NRFANRHFSA-N	410.562	3.584	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)c([N+](=O)[O-])n1	751591272	XQLNXVVGXAHEBF-UHFFFAOYSA-N	421.504	3.859	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2ccc(C(N)=O)cc2)cc1	754646011	FDZXHEDBNNQKTE-UHFFFAOYSA-N	417.509	3.636	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)c3cc(Cl)ccc3O)CC2)cc1	756393150	PVOCVIPIJAKEJR-HNNXBMFYSA-N	408.951	3.858	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2ccccc2OCCN2CCOCC2)c2c(O)ccc(F)c21	756481869	YZULJTXWJFESBP-VQIMIIECSA-N	400.494	3.580	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccn(-c2ccccc2)n1	757388827	LCXUHGGSYJRMLC-UHFFFAOYSA-N	414.303	3.932	10	20	HHCD	
COc1ccc(N(C)C(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)cc1F	758320045	YKTGDNMCIHHYPR-MOSHPQCFSA-N	405.429	3.663	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1	758980914	PSOPBFSBEQIGCQ-JOCHJYFZSA-N	422.573	3.723	10	20	HHCD	
CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759236242	AZWUIDBGHKOFGM-AEFFLSMTSA-N	405.539	3.513	10	20	HHCD	
COCC[C@@H](c1ccccc1)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759878847	PAXMXTSCNKOECK-FQEVSTJZSA-N	400.519	3.612	10	20	HHCD	
C[C@@H]1CCCCN1CCC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	763430156	AAOYKHMOLYHKCW-OAQYLSRUSA-N	414.638	3.688	10	20	HHCD	
Cn1c(CNC(=O)NCc2cccc(Br)c2O)nc2cccc(Cl)c21	764805659	MZMZSXIXJRRPMQ-UHFFFAOYSA-N	423.698	3.694	10	20	HHCD	
C[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	765008496	BCMGTJAVDISYFR-PGRDOPGGSA-N	411.521	3.677	10	20	HHCD	
COc1ccc(C)nc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	765298072	UXWJSQDJGZDKHD-AWEZNQCLSA-N	406.433	3.791	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2CC2)cc1	765605668	WDSQNJPYFOAEKZ-KRWDZBQOSA-N	411.493	3.792	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cccc(Br)c1O	765754825	WWJDXFCWVTVCCY-UHFFFAOYSA-N	414.303	3.816	10	20	HHCD	
CC(C)[C@H](CCc1ccccc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765978704	FPVNVKRUKVBOPV-QHCPKHFHSA-N	400.588	3.668	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H](c1cccc(F)c1)c1cnn(C)c1	769233885	RFOLSYRAWDOQNQ-HSZRJFAPSA-N	412.484	3.756	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1N1CCCCC1	769337395	DPXOJTHPSZHHHC-GOSISDBHSA-N	410.522	3.502	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCN(Cc3ccccn3)CC2)cc1)C1CCCCC1	771765500	GPVLELXDOGEQFE-UHFFFAOYSA-N	421.589	3.878	10	20	HHCD	
CCN1CCN([C@H](C)CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	772693491	MNVNWHUQFZWXDD-LJQANCHMSA-N	422.577	3.924	10	20	HHCD	
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1=O	773740551	QKAPLWPEGMWQGP-JZXOWHBKSA-N	410.514	3.712	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(CCc2ccc(C)cc2)C[C@@H]2CCCO2)c1O	774907916	IUIHGCGBLIVTMZ-IBGZPJMESA-N	400.475	3.841	10	20	HHCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCO1	778754771	WCYCGQXEEJZZBQ-KNQAVFIVSA-N	403.567	3.947	10	20	HHCD	
Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1ccc(O)c(O)c1	778923371	NLPYGBCPKZNNTK-UHFFFAOYSA-N	416.275	3.593	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CC[C@H](C(=O)NCC(F)(F)F)C3)c2C)c1	779244748	PFWPQTOZJRFMJD-INIZCTEOSA-N	407.436	3.543	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)[C@H]1CCN(Cc2ccccc2)C1	779364735	QJMDYIGDJUQWPL-WMZOPIPTSA-N	404.605	3.835	10	20	HHCD	
O=C1/C(=C/c2cnn(Cc3ccc(F)cc3)c2)SC(=S)N1CCc1ccccn1	780144225	WRDIZPCYQFWLGE-ODLFYWEKSA-N	424.526	3.909	10	20	HHCD	
CC(C)(O)CN1CCc2c(cccc2NCc2cccc(Br)c2O)C1	784632828	JSZWDTXAUKDSBL-UHFFFAOYSA-N	405.336	3.896	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnc(OCC4CC4)c(Cl)c3)CC2)cc1F	784682465	GXZUTSKMITYKLE-UHFFFAOYSA-N	419.884	3.634	10	20	HHCD	
Oc1c(Br)cccc1CNc1ccc(I)cn1	786191115	HWMLKRWDYHIKIA-UHFFFAOYSA-N	405.033	3.766	10	20	HHCD	
COC(=O)c1cccc(NC(=O)CN(Cc2cccs2)c2ccc(OC)cc2)n1	787262039	ZFNTVCROKOKKLJ-UHFFFAOYSA-N	411.483	3.584	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccc(F)cc1)C1CCOCC1	787994631	CWDYLXGAYXWZSF-UHFFFAOYSA-N	413.537	3.531	10	20	HHCD	
Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccccc1Cl	789844995	ZQUDOUAIZSYZBI-LBPRGKRZSA-N	400.866	3.998	10	20	HHCD	
CCc1ccc([C@H]2CN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCO2)cc1	790249629	QUUGFCCCHHKAQF-NTKDMRAZSA-N	423.557	3.930	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1Br	790289352	BQDDAPRMTOVRJB-NSHDSACASA-N	418.244	3.525	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)NCCCCC(F)(F)F)cc2F)CC1	794977648	DQKDGWOVOOLXEG-UHFFFAOYSA-N	420.520	3.664	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@@]2(CCCOC2)O1	796532046	RYZKLABALHHNPE-YADARESESA-N	415.578	3.935	10	20	HHCD	
Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	796769381	ROVNRSMONMROFJ-UHFFFAOYSA-N	414.509	3.694	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1	797624059	YVXRAZRZBGERMS-JTQLQIEISA-N	417.359	3.525	10	20	HHCD	
CCCCN(CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccccc1O	801599704	ZZOZNWHCQFJGCA-UHFFFAOYSA-N	410.558	3.859	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2cccc(F)c2)C2CCCC2)cc1F	803664783	ROOTWFYEGMCTFZ-UHFFFAOYSA-N	415.484	3.618	10	20	HHCD	
C[C@@H](c1cccnc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803676236	BSVQRJGAUFNEBW-SFHVURJKSA-N	408.546	3.686	10	20	HHCD	
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	805314982	QVYZIFWLNSBDJU-LLVKDONJSA-N	418.321	3.755	10	20	HHCD	
O=C(CN1CCC[C@H]1c1cccnc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	805749327	WSEOFLSFZFFAAI-QFIPXVFZSA-N	411.461	3.633	10	20	HHCD	
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807510966	AVRGSUHTTNHGQV-UHFFFAOYSA-N	424.284	3.548	10	20	HHCD	
C[C@H]1CN(c2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)C[C@H](C)O1	807837283	JWWJPBXLPVDHET-RYUDHWBXSA-N	410.301	3.638	10	20	HHCD	
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1c(O)ccc2c1CCCC2	810447408	NWVIXDGOGRLVHA-UHFFFAOYSA-N	401.816	3.765	10	20	HHCD	
CCCc1nc(C)c(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1	813591421	WSXOOYSLTMLOBC-GJZGRUSLSA-N	418.513	3.688	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N(C)[C@H]3CC(C)(C)OC3=O)cc2Cl)C1	813744188	CLWCNEUPSJCTNH-KSSFIOAISA-N	407.942	3.812	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C1CCC(OC[C@@H]2CCCO2)CC1	816496402	IWTXVSYBBAXBMV-BCLQGDPASA-N	412.324	3.525	10	20	HHCD	
O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1O	819427660	PQNNGTZTCKOABU-UHFFFAOYSA-N	406.460	3.530	10	20	HHCD	
Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cnn1C1CCOCC1	820005745	BFGZEOZUMSGRPQ-UHFFFAOYSA-N	402.458	3.505	10	20	HHCD	
O=C(CN1CCN(c2cnccn2)CC1)Nc1ccc(N=Nc2ccccc2)cc1	862374035	XSTMGYHTHXODIK-UHFFFAOYSA-N	401.474	3.653	10	20	HHCD	
COC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cn1	875300353	UYNXNBWPZCWVBV-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
Cc1cc(NC(=O)[C@H](C)SCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1	914506011	VQTAPQKTGTYWQV-INIZCTEOSA-N	418.563	3.546	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(CN2CCCC2=O)c1	916415303	SJEGGPGEPCHSSK-UHFFFAOYSA-N	408.546	3.607	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(Br)cc1	916667364	XQRMWQLPXWBIEE-UHFFFAOYSA-N	422.298	3.871	10	20	HHCD	
CC1CCC(N(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	917014037	NSDZASPTBLRASB-SFANZJOMSA-N	405.558	3.566	10	20	HHCD	
Cc1ccc(/C=C/S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	917916800	CIIYDCPDWRORPK-BPRGGRAXSA-N	418.534	3.838	10	20	HHCD	
CC(C)c1ccc(CN(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	918117493	MBEWWGWULXQAMN-QFIPXVFZSA-N	422.573	3.853	10	20	HHCD	
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	918309444	ZQDPYDPKHZRSEY-UHFFFAOYSA-N	422.529	3.541	10	20	HHCD	
COc1ccc(S[C@@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	919969321	UWDHBCFRLLNDHB-KRWDZBQOSA-N	414.571	3.701	10	20	HHCD	
CCOc1cccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1	920180787	XKJRVUQSBNFXRF-UHFFFAOYSA-N	421.520	3.631	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(Cl)ccc1F	920868947	GJWZYWUSASPGAB-GJZGRUSLSA-N	405.901	3.994	10	20	HHCD	
OC1CCN(c2ccc(CN3CCc4c(ncn4CCc4ccccc4)C3)cc2)CC1	929066942	HXLNQBCLRISSAE-UHFFFAOYSA-N	416.569	3.645	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1	1115926318	OCDRWWSPHGESOT-UHFFFAOYSA-N	418.497	3.768	10	20	HHCD	
CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)sc2C1	1823439653	KRAZMUOMUHFUGI-KRWDZBQOSA-N	408.527	3.796	10	20	HHCD	
CCCCC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1	1845502323	LDBJKKKLJNDNOC-CQSZACIVSA-N	408.926	3.785	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ncc(-c2ccccc2)o1	9975465	OPCRHEQWMVTYBS-UHFFFAOYSA-N	405.498	3.769	10	20	HHCD	
COc1ccc(OC)c2c1CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C[C@@H]2O	302769817	VSOCOYFKHKRXQC-FQEVSTJZSA-N	406.482	3.801	10	20	HHCD	
CC[C@H](NCCn1cc(Br)cn1)c1cc(Br)ccc1O	380443143	CKCULTUEITWPCS-ZDUSSCGKSA-N	403.118	3.855	10	20	HHCD	
CCSc1nccnc1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1	438926128	NCXBKWFSOBUCAI-UHFFFAOYSA-N	423.523	3.830	10	20	HHCD	
Cc1c(CNc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)n(C)c2ccccc12	490038165	KASPDWFBAPJPNL-UHFFFAOYSA-N	412.921	3.570	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(CCC(N)=O)c3cccc(C)c3)c2C)cc1	726161407	SMJPEWFNBVTKGO-UHFFFAOYSA-N	405.498	3.933	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C)c(Cl)c3)n2)c[nH]1	727247683	IWNALORPDKLPJV-UHFFFAOYSA-N	411.892	3.687	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)c(OCC(F)(F)F)c1	728127081	WHEISHSLRZZIEO-UHFFFAOYSA-N	412.364	3.784	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H](Cc2ccccc2)C1	730024439	ISRVDFZUYUVMRQ-NRFANRHFSA-N	411.521	3.827	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)Nc3ccc(F)cc3F)cc2F)CC1	730157610	VMSHTHQUSKLYII-UHFFFAOYSA-N	408.493	3.732	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(COC(C)C)cc3)cc2F)CC1	730194663	URJREYAJTGJCIZ-UHFFFAOYSA-N	413.537	3.823	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(N3CCOCC3)c(F)c2)cc1F	731345444	VKLIQSJHXKJWMZ-UHFFFAOYSA-N	403.473	3.578	10	20	HHCD	
Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	731624556	CEXWTDGQOIOPFP-HXUWFJFHSA-N	420.538	3.951	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O	732469219	BTZRWSJRRWKZEV-KRWDZBQOSA-N	401.894	3.773	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OCCN2CCCC2)cc1	732471377	BDEKUHXQDIWSEF-UHFFFAOYSA-N	424.589	3.959	10	20	HHCD	
CCOc1ccccc1Oc1ccc(CNC(=O)NCc2cc(OC)ccc2O)cn1	734066772	XYVJVUYRDRUDLG-UHFFFAOYSA-N	423.469	3.986	10	20	HHCD	
C[C@H]1c2ccc(F)cc2CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	738975568	MAPFELPDCBNDOL-HNNXBMFYSA-N	415.484	3.755	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCN(C(=O)c2ccccc2)CC1	741091958	LWJYJIZAOHZCJE-UHFFFAOYSA-N	418.541	3.509	10	20	HHCD	
Cc1oc2c(CN3CC[C@@H](N4CC=CC4)C3)c(O)ccc2c(=O)c1-c1ccccc1	742162817	JVAKPERCJPSKNU-LJQANCHMSA-N	402.494	3.920	10	20	HHCD	
CC(C)(C)c1ccc(-c2ccc(/C=C3/SC(=S)N(CC(N)=O)C3=O)o2)cc1	743282513	NVILKOQOOWQTOV-MHWRWJLKSA-N	400.525	3.931	10	20	HHCD	
Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nnn1-c1ccc(OC(C)C)cc1	743716236	LQWUZMNEUWWTME-UHFFFAOYSA-N	420.513	3.877	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OCCOC)cc1	743808226	OTPHTCMDYGZNCF-UHFFFAOYSA-N	408.292	3.842	10	20	HHCD	
CCCc1ccc(-c2nc(NS(=O)(=O)c3cnn(CCOC)c3)sc2C)cc1	747750171	KKGAKJCDQREJSR-UHFFFAOYSA-N	420.560	3.715	10	20	HHCD	
Fc1ccc(/C=C/CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1	747915092	TZXMHYQLIOEURH-HNQUOIGGSA-N	421.495	3.884	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1	749143787	AQOIRXGGWZYYSK-UHFFFAOYSA-N	402.516	3.569	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1O	750179098	HCJVDIPSFNISIB-INIZCTEOSA-N	414.310	3.862	10	20	HHCD	
CCOC(=O)c1cc(NCc2ccc(N3CCSCC3)cc2)ccc1[N+](=O)[O-]	751261691	XNFDHIFLLREVDI-UHFFFAOYSA-N	401.488	3.937	10	20	HHCD	
COC(=O)[C@@]1(F)CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	751936048	DBEDALNKOAHBMD-HSZRJFAPSA-N	411.429	3.561	10	20	HHCD	
Cc1cc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)nc(C)n1	754498326	BZQFHAAAUUAGAI-UHFFFAOYSA-N	406.825	3.879	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc([S@](C)=O)cc1	756057063	NRVLMCDLNFGZLM-HJWYETAXSA-N	417.600	3.538	10	20	HHCD	
C[C@H](CO[C@H]1CCOC1)N[C@H](C)c1cc(Br)cc(Br)c1O	756641048	RTZLHYSDWGPGJO-FOGDFJRCSA-N	423.145	3.762	10	20	HHCD	
C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(Br)cc1O	756852133	YIUWNVMNJQWHRC-SCLBCKFNSA-N	418.335	3.778	10	20	HHCD	
COCCc1noc(CN(C)CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	758802553	LXUJHTNDIKLSET-UHFFFAOYSA-N	408.462	3.744	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@H]3COc4ccc(Br)cc43)ccc21	758881247	OATUXSOLYHBSPD-QGZVFWFLSA-N	401.304	3.624	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1[N+](=O)[O-]	759150507	YSLKAYZNFDJAJZ-UHFFFAOYSA-N	405.476	3.641	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)[C@@H](O)c1c(F)cccc1Cl	759600451	FVPVBKJAMYLRNV-IINYFYTJSA-N	403.932	3.839	10	20	HHCD	
C[C@@H](NC1CCN(c2cccnn2)CC1)c1cc(Br)cc(Cl)c1O	760035686	CLZZEIZBRDWSFE-LLVKDONJSA-N	411.731	3.918	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(I)c(O)c1	760910640	GUFYWDHZBVWSMA-UHFFFAOYSA-N	411.239	3.755	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ncc(Cc2cc(F)cc(F)c2)s1	761610584	HKSVRAJVNBXNNB-UHFFFAOYSA-N	405.426	3.788	10	20	HHCD	
Oc1cccc2c1C[C@@H](NCc1cc(Br)cc(Br)c1O)C2	763481058	QBFOSUZEHCKDRK-LBPRGKRZSA-N	413.109	3.880	10	20	HHCD	
C[C@@H](NC(=O)COc1ccccc1Br)c1ccc(N2CCOCC2)cc1	763557525	VZXNRMUIFLEVRO-OAHLLOKOSA-N	419.319	3.542	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1	765751180	QXDCCRJKMBLDOJ-UHFFFAOYSA-N	413.275	3.747	10	20	HHCD	
COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c1	767717347	ZMYMIPORBMQMKU-UHFFFAOYSA-N	406.485	3.637	10	20	HHCD	
COc1cc(Br)cc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O	769332446	FHRYJLSEVOUHIZ-CQSZACIVSA-N	415.328	3.605	10	20	HHCD	
CC(C)(c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1)c1ccccc1Cl	771649546	USOTZZUYDGNBJB-UHFFFAOYSA-N	407.879	3.793	10	20	HHCD	
C[C@@H](NCCNC(=O)c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1Cl	772979850	XCRSDEBKWTUDGG-CQSZACIVSA-N	423.891	3.535	10	20	HHCD	
C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(N(C)C)cc1	773021756	BUWNOYSDYCWDRH-IBNJYYFUSA-N	417.912	3.942	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1	773745490	KREVOMTWFHUJJO-WCQYABFASA-N	423.296	3.505	10	20	HHCD	
C[C@@H](NC[C@@H](O)c1ccc(F)c(Br)c1)c1ccc(N2CCOCC2)cc1	775649253	JTQIUCSEAVOTQN-JLTOFOAXSA-N	423.326	3.809	10	20	HHCD	
C[C@H](NCC(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1	775836163	JYEYJXHGZZKYAB-HNNXBMFYSA-N	409.452	3.617	10	20	HHCD	
CSc1ccc(C)c(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	776028036	LDNZRSRNLDCJPR-QGZVFWFLSA-N	412.559	3.740	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	777972112	QCIIKMONSHKMBD-NSHDSACASA-N	400.420	3.687	10	20	HHCD	
Cc1ccc(C(=O)N2CCN(Cc3cc(Br)cc(C)c3O)CC2)cc1	779586768	ABEGEOHXTXIELH-UHFFFAOYSA-N	403.320	3.730	10	20	HHCD	
COC(=O)c1ccc2[nH]cc(C(=O)CN(Cc3ccccc3O)C[C@@H]3CCCO3)c2c1	781897119	NVWLMSPTPGCCMH-SFHVURJKSA-N	422.481	3.524	10	20	HHCD	
Oc1ccccc1CN(Cc1noc(-c2ccc(F)cc2F)n1)C[C@H]1CCCO1	781897239	PVDUEWDAFNIWEJ-MRXNPFEDSA-N	401.413	3.902	10	20	HHCD	
COc1cc(O)c(CN2CCC(CNC(=O)OCc3ccccc3)CC2)cc1OC	782956660	VNZJMYADRARNPF-UHFFFAOYSA-N	414.502	3.548	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@@H]2CCCCS2(=O)=O)cc1	784129584	VNOIDDDHIYSWKN-SFHVURJKSA-N	414.531	3.865	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Oc4ccccc4)o3)cc2)CC1	786263156	SWZRHKOEIHNNLT-UHFFFAOYSA-N	419.481	3.670	10	20	HHCD	
Cc1csc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1I	786709799	VSJIVXODDZYHMU-UHFFFAOYSA-N	414.312	3.999	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccccc2SCc2cn3ccccc3n2)C[C@@H](C)[S@]1=O	791172546	HZHAQHOOONQEJY-XMXPXJMUSA-N	413.568	3.608	10	20	HHCD	
CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1[N+](=O)[O-]	792991252	BOUHHZRZZVGICC-UHFFFAOYSA-N	422.485	3.523	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2ccccc2C(N)=O)c(C)n1-c1ccccc1	795807975	CDDYKJHQJJRLAT-UHFFFAOYSA-N	404.466	3.552	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2ccccc12	797634504	QHCABNFUAOPXQS-CQSZACIVSA-N	424.453	3.556	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](C)CO[C@@H]3CCOC3)cc2Cl)C1	799944553	CANVLCOGMFLKAQ-JFIYKMOQSA-N	409.958	3.570	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CSc4ccccc43)cc2)CC1	805026244	HKBHIGFNBSDJMU-FQEVSTJZSA-N	409.555	3.502	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135048	FJBYROTXBACDAZ-UHFFFAOYSA-N	411.650	3.739	10	20	HHCD	
Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)n2)s1	806830448	DRQCLFWCJDCVPT-UHFFFAOYSA-N	400.529	3.501	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2oc3ccccc3c2C)cc1	806833975	RHALWXHHEZSAQS-UHFFFAOYSA-N	407.514	3.862	10	20	HHCD	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)o1	807290498	XBNIZLDABNQDDW-LAUBAEHRSA-N	407.514	3.580	10	20	HHCD	
CC1(C)CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c2ccccc21	807291213	ABNSAQXCCMFGSX-HXUWFJFHSA-N	417.553	3.650	10	20	HHCD	
C[S@](=O)Cc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	807560841	RTXMSOOHXFGART-LJAQVGFWSA-N	412.511	3.776	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2cc(F)ccc2SC)cc1	807843967	QZFYIELMQBOYPM-UHFFFAOYSA-N	417.550	3.669	10	20	HHCD	
CC(C)(C)c1cc(CN2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(O)c(C(C)(C)C)c1	809704659	HYHHOKPUYOPRDP-BXKMTCNYSA-N	415.578	3.940	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](O)c2ccc(Cl)cc2)cc1	813430640	PKOWQHKKIRUPKN-LEWJYISDSA-N	402.922	3.647	10	20	HHCD	
O=C1N=C(SCC(=O)N2CCCC2=O)S/C1=C\c1csc2ccccc12	814771673	CBACKMUKEKMBKK-ZSOIEALJSA-N	402.522	3.754	10	20	HHCD	
CN(Cc1ccccc1F)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	821999010	WLHQNDFPQNMLFA-UHFFFAOYSA-N	418.380	3.782	10	20	HHCD	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1	914578288	SAUFDHXTJQYEGZ-UHFFFAOYSA-N	417.468	3.762	10	20	HHCD	
Cc1nc(C)c(CC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(O)n1	915464573	DZRWDSUJRMQEMJ-UHFFFAOYSA-N	419.441	3.939	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3c(F)cccc3F)n2)cc1	916088744	GQDXYSIQHILHQU-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
C[C@@H]1CCCCN1CCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	916505401	YQEZJDNNZLWENH-CTNGQTDRSA-N	403.567	3.737	10	20	HHCD	
Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919969714	DKHHUKXZPWCOFS-UHFFFAOYSA-N	423.488	3.928	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(Cl)cc1Br	1320399693	SHLNKSJUXONTJW-SNVBAGLBSA-N	414.683	3.640	10	20	HHCD	
Cc1cc(CN2CCCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)no1	1323303927	OQJXEFATXBLEDI-UHFFFAOYSA-N	413.522	3.589	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cnoc2C2CC2)NC(=O)OC(C)(C)C)cc1	1324205177	LMRHURVWPMIEAH-GOSISDBHSA-N	414.506	3.614	10	20	HHCD	
Cc1oncc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1842488760	CCGVWRMBKNSTCZ-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)Cc2cccs2)c([N+](=O)[O-])c1Br	14213622	YHOHIHUFTCGOJS-UHFFFAOYSA-N	402.226	3.972	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O	29006651	IIDOWILZVVCOFE-GOSISDBHSA-N	403.935	3.868	10	20	HHCD	
CN(C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1CCCc2ccccc21	96971106	RVTNKPZVKHSVBK-GMAHTHKFSA-N	408.542	3.909	10	20	HHCD	
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	303066765	ZVAIXPLOFPIFTM-VBKZILBWSA-N	415.559	3.533	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccccc2Br)cc1F	303378635	VHEASYCJFABNIH-UHFFFAOYSA-N	415.328	3.913	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)cc1)C1=S=CC=C1	546467092	OSACNOJKPVAFIY-UHFFFAOYSA-N	418.478	3.946	10	20	HHCD	
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)NCc1c(C)c2ccccc2n1C	573398454	VVGBUCBCTKIRCP-FQEVSTJZSA-N	421.545	3.587	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1	727359073	KWOUBQZSXDBBCC-UHFFFAOYSA-N	408.886	3.591	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc(F)c(F)c(F)c2)c1	728834269	VBDPOMPUPCARIE-UHFFFAOYSA-N	413.399	3.848	10	20	HHCD	
COC(=O)CCc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	729577888	HSRXFHAZEYMSFF-KRWDZBQOSA-N	411.502	3.512	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1	730823206	GWLNHQOZMPBRGX-LJQANCHMSA-N	407.436	3.838	10	20	HHCD	
C[C@@H](NC(=O)c1ccccc1NC(=O)COC(=O)c1cc(O)cs1)c1ccccc1	731910487	RWNTXKPJHANAAV-CQSZACIVSA-N	424.478	3.740	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)cc3F)cc2F)C[C@H](C)O1	732674541	NYLLOIQPUCDQGA-GJZGRUSLSA-N	421.463	3.759	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccnc(Sc4ccccn4)c3)CC2)cc1	733844981	IMSXFCWTNAYOIY-UHFFFAOYSA-N	421.526	3.991	10	20	HHCD	
COc1ccc(O)c(CNC(=O)COc2ccc(Br)cc2Cl)c1	734016298	POPMDNFNINEIJE-UHFFFAOYSA-N	400.656	3.512	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1	734651270	KURODPIGYAOXBH-UHFFFAOYSA-N	403.548	3.706	10	20	HHCD	
CC(=O)N(CCC(=O)N(Cc1ccco1)Cc1ccccc1O)Cc1ccccc1	735927675	XITLEVKKOBTXRN-UHFFFAOYSA-N	406.482	3.953	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	736004453	IVMZIHRHUGSQQT-CHWSQXEVSA-N	421.856	3.931	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	736175732	WCTGAZSZIXQQCM-HNNXBMFYSA-N	411.487	3.785	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](Cn1cccn1)c1ccccc1	741269891	MFMJZQSMNSQDAY-JOCHJYFZSA-N	421.570	3.677	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	743431419	YZPQFUZJUFAPJS-IBGZPJMESA-N	413.518	3.592	10	20	HHCD	
CN(C)[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1c(F)cccc1F	745826517	VNUASYMSCAPFGN-LJQANCHMSA-N	403.473	3.651	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C2CC2)cc1	745842905	SOANTDILVACQPN-UHFFFAOYSA-N	406.574	3.526	10	20	HHCD	
CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)cc2)cc1	745978320	RFQROKYUDMCFST-UHFFFAOYSA-N	410.561	3.937	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)[C@@H](C)c3ccc(C(F)(F)F)cc3)nc12	746139144	XLXNCGJZHDCBRA-LBPRGKRZSA-N	422.407	3.823	10	20	HHCD	
O=C(CN(Cc1cccs1)c1ccc2c(c1)OCCO2)NCC(=O)c1ccccc1	746500781	FXKWFECVCSIDGK-UHFFFAOYSA-N	422.506	3.525	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(OC)c1	746719216	XUSCOPGRCCSVMJ-QFIPXVFZSA-N	416.541	3.783	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1	747101127	BYQGFWDNCYRVDR-LJQANCHMSA-N	423.435	3.718	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1	747371167	UEGIDQDGRZNCOC-UXHICEINSA-N	415.331	3.910	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1C	752331890	CNUIHLRVEWMOJS-SFHVURJKSA-N	419.489	3.698	10	20	HHCD	
O=S1(=O)CCN(Cc2ccc(OCc3ccccc3)cc2O)CC12CCCCC2	753548317	GUGWFMJYFHDCGB-UHFFFAOYSA-N	415.555	3.905	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@@]4(CCc5ccccc54)C3)CC2)cc1	753605501	JFLMVBMEWGCVFM-VWLOTQADSA-N	421.541	3.548	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)cc1F	753742979	ZHLZPYMAOCOAEO-UHFFFAOYSA-N	400.347	3.955	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(-n3ccnn3)c2)cc1	755458783	XKKIGIYFMPUATD-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3csc([C@H]4CCCO4)n3)cc2F)C[C@@H](C)O1	755578630	GOCTZUFPHGSQHL-PJIJBLCYSA-N	419.522	3.677	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(F)c(OC)cc3OC)CC2)cc1	755831175	FDXZLGNOOBSHGO-UHFFFAOYSA-N	403.454	3.642	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(CN[C@@H](C)c3cc(F)cc(F)c3O)cc2)C[C@@H](C)O1	756479274	LGMRQQLUFWMWPN-ZNMIVQPWSA-N	404.457	3.771	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(Br)c2)c1	758112690	DITPEYJHASATSH-SECBINFHSA-N	420.712	3.856	10	20	HHCD	
C[C@H](N[C@H](C)c1cccc(O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	759674784	XRWJVSRCXUMGQJ-CABCVRRESA-N	414.461	3.845	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)c(C)n1-c1ccccc1	760187384	CETJXLVZXYLPAZ-GOSISDBHSA-N	419.529	3.559	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(-c2ccccc2)no1	760332641	RBRTXIOSVKKCCY-MRXNPFEDSA-N	405.502	3.722	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nnc(CC(F)(F)F)s1	766235277	SKBKWNSLPOOZGF-UHFFFAOYSA-N	417.482	3.518	10	20	HHCD	
CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	766558983	GVQFOGLJILSBPK-INIZCTEOSA-N	408.458	3.842	10	20	HHCD	
C[C@H](NC(=O)c1c[nH]nc1-c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1	767898414	FIFCJKYJZVNNSL-AWEZNQCLSA-N	412.440	3.683	10	20	HHCD	
Cn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C(C)(C)C)n1	768942048	KGWUTUWHSZKLFN-UHFFFAOYSA-N	424.467	3.503	10	20	HHCD	
C[C@@H](N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1)C(F)(F)F	769553842	HWQBHAFCTCBHSB-OAHLLOKOSA-N	400.445	3.654	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccoc1Br	770632004	UMZHFUQNIKTGLK-ZDUSSCGKSA-N	413.699	3.796	10	20	HHCD	
COc1cc(CN2CC(=O)N(c3cc(Cl)c(N)c(Cl)c3)C2=O)cc(OC)c1	772122357	JPFQQVGGJRTEGH-UHFFFAOYSA-N	410.257	3.562	10	20	HHCD	
Cc1cc2c(N3CCC[C@@H]3C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ncnc2s1	775403482	JPXPAWNKJDTSSR-HNAYVOBHSA-N	409.559	3.912	10	20	HHCD	
COc1ccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	775405521	SOAMYZNOZLNDMF-MRXNPFEDSA-N	410.543	3.916	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(Br)c(C)n3)CC2)cc1	775779869	NQIOOTXAYYFNHT-UHFFFAOYSA-N	419.323	3.905	10	20	HHCD	
COc1cccc([C@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)N2CCCC2)c1	776099693	CWDDTDFKAIHTAK-MBSDFSHPSA-N	410.562	3.959	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2nsnc2c1	776707544	WZWLAWYKURPZBF-UHFFFAOYSA-N	404.442	3.692	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1F	780830715	YFRIWAJQXJNIRI-QGZVFWFLSA-N	414.529	3.757	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3c[nH]nc3-c3ccccc3)cc2)CC1	782801401	QABXXHJVBJMECH-UHFFFAOYSA-N	417.513	3.568	10	20	HHCD	
COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1	783839486	SSEOCVOBHZRABO-UHFFFAOYSA-N	423.966	3.680	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C	784025428	DPQQOTUCIICSLJ-UHFFFAOYSA-N	423.435	3.854	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(CC(C)C)c1C(F)F	784025660	FPEDOJBMYSAZOF-UHFFFAOYSA-N	408.449	3.560	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@H](c2ccccc2)CC1	788930255	PYDUEQUNPIIHIU-QFIPXVFZSA-N	405.542	3.699	10	20	HHCD	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788937952	PYBAKBJRONINAL-VGOFRKELSA-N	409.505	3.652	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(C(=O)N3CCOCC3)c(F)c2)cc1F	789879497	WEJPDGDTXUKVKZ-UHFFFAOYSA-N	403.473	3.896	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1	791032594	YGHUMEBCUUHOPH-OAQYLSRUSA-N	412.555	3.500	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	800758576	AMXNQWFTNFGSNL-DTQAZKPQSA-N	422.573	3.892	10	20	HHCD	
C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	800912467	XJYXNKNFQXLCHZ-MRXNPFEDSA-N	405.502	3.810	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O	801547986	IHBOATUDQXRXQW-UHFFFAOYSA-N	416.543	3.547	10	20	HHCD	
COCCc1ccnc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	806661194	ZLECAEDGVLIPGF-UHFFFAOYSA-N	420.460	3.662	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1	807543784	RVRWDDMFWCHRDR-VXKWHMMOSA-N	407.558	3.944	10	20	HHCD	
COCCOCCN(C)C(=O)c1cc(C)n(-c2ccccc2Br)c1C	811552151	JZGBVSPSUDFFAX-UHFFFAOYSA-N	409.324	3.592	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)ccc1C	811702937	IECWZYOTLWJEKO-UHFFFAOYSA-N	407.488	3.603	10	20	HHCD	
CCOCc1nc([C@@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)no1	812565085	YHIZMAGWIPMUOO-OAHLLOKOSA-N	402.495	3.917	10	20	HHCD	
CN(c1ccc(CNC(=O)c2nn(C)cc2Br)cc1)C1CCCCC1	814643136	VSVGSUNNWAWYRS-UHFFFAOYSA-N	405.340	3.882	10	20	HHCD	
C[C@H](N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	815653033	CAKIAGVVNNCWDQ-IQUTYRLHSA-N	401.438	3.842	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)c(C)n1-c1cccc(C(C)C)c1	816997262	COHFAMQUCYTOSQ-GOSISDBHSA-N	402.560	3.724	10	20	HHCD	
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cn2)c(C)n1-c1ccc(OC(F)(F)F)cc1	912771732	CKBSWLAIMJVDBZ-UHFFFAOYSA-N	408.336	3.980	10	20	HHCD	
Cc1ccccc1-n1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C	914754221	KRJNXFQNDRTIIG-UHFFFAOYSA-N	404.514	3.598	10	20	HHCD	
CCC(CC)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N1CCCC1	916256688	LMDFKRLUIQWQQJ-FGZHOGPDSA-N	417.594	3.983	10	20	HHCD	
COCCOc1cc(C)ccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	916696332	FTXBYZGRKDJXRW-IBGZPJMESA-N	414.502	3.939	10	20	HHCD	
O=[N+]([O-])c1c(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc2ccccn12	917084004	NLQSROSAXQZDDS-UHFFFAOYSA-N	421.379	3.710	10	20	HHCD	
Cc1cc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(C)n1-c1ccccn1	917124305	JBHKZZILBHNKKR-KRWDZBQOSA-N	408.546	3.600	10	20	HHCD	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	918658725	RXFRMDWRXMHYQO-UHFFFAOYSA-N	410.518	3.720	10	20	HHCD	
C[C@H](c1ccsc1)N1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1	1116630476	YGXARJLGTFUSOJ-GOSISDBHSA-N	402.583	3.518	10	20	HHCD	
Cc1cc(-c2nnc(-c3ccc(-n4cnnn4)cc3)o2)c(C)n1-c1ccc(F)cc1	1257827761	ZFWFZXPTRTWEDZ-UHFFFAOYSA-N	401.405	3.926	10	20	HHCD	
COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(C)c2ccc(OC)c(OC)c2)c1	64517301	KOFHGHMTGSBGQC-LJQANCHMSA-N	414.502	3.521	10	20	HHCD	
COc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])cc1O	237427547	AYJYZFSMNONIHC-AWEZNQCLSA-N	423.416	3.669	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)N1CCc2ccccc2C1	303793397	QQJMFEDUKXAUPM-CJFMBICVSA-N	421.585	3.707	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(CCc4ccccc4)CC3)ccc21	481948694	WMLPYKNWSNQHRG-UHFFFAOYSA-N	419.569	3.905	10	20	HHCD	
O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1C[C@@H](CO)Cc2ccccc21	646530272	CTKFSNFRSNBDRM-SFHVURJKSA-N	410.477	3.746	10	20	HHCD	
CN(c1ccccc1)c1ccc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)O)cn1	684761225	VMYVHJBCRILDDK-OWBHPGMISA-N	412.449	3.814	10	20	HHCD	
CC(C)C[C@H](C)CC(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	727880275	FWCYGPWBNMMYBD-RCCFBDPRSA-N	422.541	3.671	10	20	HHCD	
Cc1cc(CC(=O)NCCCOC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	728215749	LJYOMAPSTZHSGU-OAQYLSRUSA-N	404.938	3.992	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1	728977895	HAXXCFGOPNOKHC-CYBMUJFWSA-N	414.483	3.936	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(CC)CCc3cccs3)cc2F)CC1	730133497	WBXGUFLNMIIUBA-UHFFFAOYSA-N	418.582	3.803	10	20	HHCD	
CC(C)OC1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	730571099	SBEFIAUATADGIP-INIZCTEOSA-N	420.509	3.678	10	20	HHCD	
Cc1c(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cccc1-n1cnnn1	731106133	TYIBBJYBLQZOCH-UHFFFAOYSA-N	405.506	3.529	10	20	HHCD	
O=C(NC1CC1)c1ccc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	733334166	CPRZJPXYJRNSNR-OAQYLSRUSA-N	413.949	3.692	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCCCOc3ccccc3C)CC2)cc1	742670880	JHEJKSIOODMNFP-UHFFFAOYSA-N	414.571	3.855	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC2(Cl)Cl)NC(=O)OC(C)(C)C)cc1	742750187	AXVSCDARJQQNEB-HUUCEWRRSA-N	416.349	3.628	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c1	744885189	QMXLBOWZEIIIQO-SFHVURJKSA-N	408.502	3.937	10	20	HHCD	
O=C(NCC[C@@H](O)c1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903620	IEFITNLTWGHCMS-FXAWDEMLSA-N	419.472	3.680	10	20	HHCD	
CCO[C@H](CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1	747498468	CBOBUVJTLHKTQC-XMSQKQJNSA-N	403.567	3.869	10	20	HHCD	
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCOCC2)cc1	748035816	NRUXRQOBUAVJQP-IBGZPJMESA-N	409.313	3.570	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)NC3(c4ccccc4)CCC3)cs2)cc1	751935297	AJTRJWRNORTEBX-UHFFFAOYSA-N	421.522	3.669	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccccc3OCc3ccncc3)CC2)cc1F	753738922	NRYNDCMYPVNTKU-UHFFFAOYSA-N	421.472	3.771	10	20	HHCD	
CSc1ccc(-c2csc(NS(=O)(=O)c3cccc4nonc34)n2)cc1	753918279	INYFAASVPRGDAI-UHFFFAOYSA-N	404.498	3.869	10	20	HHCD	
O=S1(=O)CCN(Cc2c(O)ccc3cc(Br)ccc23)[C@@H]2CCCC[C@@H]21	754010904	JIZYPFPSWVGUBO-MJGOQNOKSA-N	424.360	3.850	10	20	HHCD	
COc1ccc(N(C)Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1F	757857289	ODKAHFPVLKPLIU-UHFFFAOYSA-N	403.410	3.547	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1	758370786	XXBZRUMNBKGGQI-VQIMIIECSA-N	404.555	3.730	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cc(OC)c1OC	759406047	QPMKUGWVWLXKKG-UHFFFAOYSA-N	423.513	3.773	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)c1	761973211	OFJMPTXGWWKDPE-JTQLQIEISA-N	424.354	3.630	10	20	HHCD	
C[C@H](Nc1cnn(CC2CC2)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	762549117	UWCSBPKNYNDJMH-AWEZNQCLSA-N	414.465	3.508	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C[S@@](=O)[C@H](C)c3cccc(Cl)c3)CC2)cc1	764474742	NWOPBTWAJATQOS-WVDZOPJMSA-N	420.962	3.507	10	20	HHCD	
C[C@H](NCCC(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1Cl	765517689	BLEVZLIMCCZXMY-KRWDZBQOSA-N	401.938	3.534	10	20	HHCD	
Oc1ccccc1CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCCO1	768162025	JCJSBNGOZGFZCG-HXUWFJFHSA-N	400.494	3.549	10	20	HHCD	
O=C(Nc1sc2c(c1C(=O)NCc1ccc(O)c(O)c1)CCCC2)c1cccnc1	768914605	BJPBUDRBEFYSAX-UHFFFAOYSA-N	423.494	3.615	10	20	HHCD	
O=C(Nc1ccccc1)NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769107498	VGLZVNAZRAMANF-UHFFFAOYSA-N	404.854	3.740	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(OCC(F)(F)F)c3)c2)CC1	770172437	CAYOBFVJHAQFDR-UHFFFAOYSA-N	421.419	3.582	10	20	HHCD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	771291845	XJIRFUNKBSRJSM-VQTJNVASSA-N	419.566	3.564	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1O	775111760	OKCXNJVNLMBAJO-JTQLQIEISA-N	404.810	3.863	10	20	HHCD	
CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2cc(Br)cc(OC)c2O)C1	776810174	XGHIAACVTPLSBA-QWHCGFSZSA-N	415.328	3.510	10	20	HHCD	
Cc1cc(F)c2nc(O)cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2c1	778935051	ULJLPYLIWTUIGA-INIZCTEOSA-N	410.445	3.915	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCN(c2cccc(Br)c2)C1	779499167	LQBKMOVFTRSZJP-ZKKXHLJNSA-N	417.303	3.516	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC3(C)CCN(C(=O)OC(C)(C)C)CC3)ccc21	779549571	KJGZORVVMKQGEV-UHFFFAOYSA-N	416.566	3.658	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	780481869	BSHFQDVQWFGESK-LJQANCHMSA-N	414.550	3.652	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccccc3OC(C)C)cc2)CC1	786858291	PBOKTWASMGKGGC-UHFFFAOYSA-N	423.557	3.643	10	20	HHCD	
O=C(CC1CCC2(CC1)OCCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	788089382	BGHNFFKYUVDWKF-UHFFFAOYSA-N	424.488	3.696	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1	788940386	RTHPQFYIHKXXRA-TZIWHRDSSA-N	411.521	3.741	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCCN(Cc1ccccc1)S(C)(=O)=O	790255134	IHHCLMVPMNHTLC-UHFFFAOYSA-N	401.557	3.641	10	20	HHCD	
CC(C)Oc1ncccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	790271897	BYWOHFPKULGIJJ-UHFFFAOYSA-N	423.435	3.654	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)c3ccc(F)cc3o2)cc1	795856683	NNNAYGGWXZEGDV-LJQANCHMSA-N	424.472	3.820	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCc4cnn(C)c4C3)c2C)cc1	798763482	PGRMPSWAMGPJGZ-GOSISDBHSA-N	405.498	3.667	10	20	HHCD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccc(Br)c1O	801252831	DYNLDLITUKJNGQ-UHFFFAOYSA-N	404.239	3.718	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1	801634393	LHMYTSDNGKYFOC-UHFFFAOYSA-N	419.547	3.915	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CC(c3ccc(OC)cc3)=NO2)cc1	802007484	LFLHKCHEXVXDKZ-OAQYLSRUSA-N	410.518	3.534	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2ccccc2SCc2c(C)noc2C)C[C@@H](C)[S@]1=O	804438400	QOPKVKNOSXDFQF-UNPIYCOOSA-N	406.573	3.955	10	20	HHCD	
CCn1c(/C=C/c2cn(C(C)C)nn2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21	806570585	DNUCNVWVVOLCBV-VMPITWQZSA-N	413.425	3.693	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1	807097549	YWRUCBUOSFWIBI-IRXDYDNUSA-N	415.965	3.981	10	20	HHCD	
CC(C)n1ncc2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc21	807512725	GSECPRHWKWSMOI-UHFFFAOYSA-N	421.284	3.885	10	20	HHCD	
CN(C)c1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl	807513922	YRRTUJFONRFOLX-UHFFFAOYSA-N	416.692	3.673	10	20	HHCD	
Cc1cccc(NC(=O)CSCC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807838555	WXIODMLEPNIDKY-UHFFFAOYSA-N	413.326	3.996	10	20	HHCD	
CCN(CC)CCCNC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	809733326	ZCJLJQLHAGYFCC-UHFFFAOYSA-N	416.393	3.759	10	20	HHCD	
CCCCN(C)C[C@@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	811930629	XZWFHCMSLFFTBJ-MRXNPFEDSA-N	412.525	3.676	10	20	HHCD	
C[C@@]1(CNC(=O)NCc2cccc(Br)c2O)OCCc2sccc21	811943576	KETPGZJBFRGSGH-KRWDZBQOSA-N	411.321	3.504	10	20	HHCD	
Cc1cccc(Br)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	813457674	XSBDSRYXNCTGPG-UHFFFAOYSA-N	417.347	3.896	10	20	HHCD	
Oc1c(CNC[C@@H](O)COc2ccccc2Br)ccc2ccccc12	816558462	ZUASCGVQKFCHOR-MRXNPFEDSA-N	402.288	3.837	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)cc1	843465314	HTPLMPZKFGGPCK-PXLXIMEGSA-N	422.508	3.624	10	20	HHCD	
Cc1cc(CCNC(=O)Nc2cccc(N3CCNC3=O)c2)c(C)n1-c1ccccc1	915686441	YHFUZKSGUNAEOA-UHFFFAOYSA-N	417.513	3.988	10	20	HHCD	
CCC(=O)Nc1ccc(C)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	915702085	YNYHXMGVWKNMSX-UHFFFAOYSA-N	410.518	3.844	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccn1	916180129	XEKDQRWNZSVJLH-UHFFFAOYSA-N	423.416	3.627	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	916502413	JWZDZUXUUDSNPU-UHFFFAOYSA-N	411.590	3.872	10	20	HHCD	
CCC[C@@H](C)N1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1=O	917646019	WFFPDTPEXGKHJC-QUCCMNQESA-N	411.546	3.912	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Cl)c1	918296672	XWADAGHLVHOLFS-INIZCTEOSA-N	402.878	3.500	10	20	HHCD	
CCOc1ccc(N2CCN(C[C@H](O)c3ccccc3Br)CC2)cc1	1116418327	XNOXHRYTTICVHN-FQEVSTJZSA-N	405.336	3.703	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](c2ccccc2)c2cnn(C)c2)cc1F	1116539728	CYOUTRHOCOMBBE-JOCHJYFZSA-N	409.509	3.994	10	20	HHCD	
Cc1csc(CCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	1318167405	CLXXQQYXJHLWMQ-UHFFFAOYSA-N	424.517	3.954	10	20	HHCD	
COc1ccc2cc(C(=O)Nc3cccc(N4CCC(C(N)=O)CC4)c3)ccc2c1	1319016297	KRHGIZGXLPTCCP-UHFFFAOYSA-N	403.482	3.802	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C)cc4C)c(F)c3)CC2)cc1	1319398069	YCXJARQZMCFAQO-UHFFFAOYSA-N	422.504	3.989	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc(OC)c1OC	6274858	ULLVQGFJQYWKNJ-UHFFFAOYSA-N	405.882	3.720	10	20	HHCD	
CNC(=O)C1CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1	29164203	ILXJOKQWPJVRHV-UHFFFAOYSA-N	421.463	3.754	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)oc2c1C(=O)CCC2	109701457	PCTJXUKCGSYWGW-LJQANCHMSA-N	410.514	3.994	10	20	HHCD	
O=C(CCCNCc1ccc(N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1	237995153	WTPCDHPEKBIPGH-UHFFFAOYSA-N	420.601	3.896	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCOC[C@@H]3CC(=O)c3ccco3)ccc21	476787694	QEWQGZQXNBKLHA-IBGZPJMESA-N	424.497	3.612	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3ccc([S@](C)=O)cc3)ccc21	488103720	SDBYTHSVKZXPTO-LJAQVGFWSA-N	412.555	3.914	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1F	729574415	SPSMHQBRFVOECA-UHFFFAOYSA-N	418.366	3.888	10	20	HHCD	
COCCOc1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731049611	GHWRSSLWBPWAPQ-UHFFFAOYSA-N	411.546	3.948	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc(NC(N)=O)cc3)cc2)CC1	731121313	QZGPKTQBHMSMOO-KRWDZBQOSA-N	409.534	3.974	10	20	HHCD	
Cc1ccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1	731222524	ZYWDMPDSQDNKFO-GOSISDBHSA-N	413.537	3.834	10	20	HHCD	
CNS(=O)(=O)C1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	732413481	SQUGFXWJOWXTQV-UHFFFAOYSA-N	401.492	3.648	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCCC(=O)NC(C)C)cc1	732765934	RCRHFKNMCMFQBU-UHFFFAOYSA-N	411.546	3.989	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCN3Cc3ccccc3)CC2)cc1	734174028	XQWJCJNCAOBMGS-HSZRJFAPSA-N	422.573	3.628	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H](CO)c3c(F)cccc3F)cc2)CC1	734669051	OYDMDZHJXKWWPP-FQEVSTJZSA-N	403.473	3.734	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	736075868	ALAKSYJECQBEOP-UGKGYDQZSA-N	414.594	3.759	10	20	HHCD	
CN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(N2CCOCC2)cc1	741730022	JKFWHVKZNXWSKX-UHFFFAOYSA-N	408.329	3.901	10	20	HHCD	
C[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)Oc1cccc(Br)c1	742387515	MQWMSCZJFSVSDS-HNNXBMFYSA-N	423.326	3.982	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2c(C)n[nH]c2n1	742798985	FFLPNSWNZGZIGU-CQSZACIVSA-N	415.444	3.575	10	20	HHCD	
O=C(COc1ccc(F)cc1Br)NCc1c(O)ccc2c1CCCC2	743716924	ANJRSEHXFCWMIZ-UHFFFAOYSA-N	408.267	3.868	10	20	HHCD	
O=C(NCCOc1ccc(Br)cc1)NCc1ccc(N2CCCC2)cc1	744295169	BZQZAAGKNIDADQ-UHFFFAOYSA-N	418.335	3.928	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(CC(=O)NC)CC3)c2C)cc1	746670399	RGNPPSRXQGTMSI-UHFFFAOYSA-N	411.546	3.524	10	20	HHCD	
CC(=O)c1ccccc1NC(=O)CCCN(Cc1ccccc1O)C[C@H]1CCCO1	746759882	WGBSUWZGXHYZKU-HXUWFJFHSA-N	410.514	3.995	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	746797296	ZSMFXSHHGAZHHW-UHFFFAOYSA-N	423.391	3.722	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C	747582019	APBWDJXTOPSGIY-UHFFFAOYSA-N	406.571	3.753	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(OCC(F)F)cc1	748620360	WSRVRWBHIJINGO-UHFFFAOYSA-N	423.435	3.752	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccn(CC(F)F)n1	748953298	CAPKQFKLAWLGMC-UHFFFAOYSA-N	403.227	3.670	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCSCc2ccccn2)cc1	750876079	XXHKLEUPXNFLJC-JOCHJYFZSA-N	413.587	3.979	10	20	HHCD	
CCc1ccc(C(C)(C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	751780796	GFKDVLMFXPDLAN-HXUWFJFHSA-N	422.573	3.685	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@@H](c3ccccc3)c3ccc(F)cn3)CC2)cc1	753641288	UBBIPARTURZJMC-VWLOTQADSA-N	420.532	3.731	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccc(OC(C)C)cc3)CC2)cc1F	753829741	RUWSZWHKXUBUGI-UHFFFAOYSA-N	401.482	3.653	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C	753830750	NDSISKHGHUQRBJ-UHFFFAOYSA-N	423.538	3.707	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br	755012855	OTBKXODBWOJIHD-UHFFFAOYSA-N	410.243	3.801	10	20	HHCD	
CCc1nn(C)c(CC)c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F	756001639	AEIAYLLCIUAFIB-UHFFFAOYSA-N	410.484	3.690	10	20	HHCD	
COc1cc(Br)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1OC	756687311	VATDVSZQRWCPFZ-SNVBAGLBSA-N	411.252	3.931	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nc(C)co3)c2)cc1	759025259	DBRGWFJLWBIZSP-UHFFFAOYSA-N	406.486	3.751	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccn([C@H](C)c4ccccc4)n3)CC2)cc1F	760077627	KPLJYQKZDXLJLR-QGZVFWFLSA-N	423.492	3.994	10	20	HHCD	
CC[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Oc1ccccc1F	761747946	DQLGGTCNOFOKCS-OAHLLOKOSA-N	406.841	3.807	10	20	HHCD	
CCN(Cc1ccoc1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	764095145	SQTBZCVRLFWEJR-UHFFFAOYSA-N	406.485	3.510	10	20	HHCD	
COc1cc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c(O)cc1C	768444811	YNKMVYGRPZDFFD-UHFFFAOYSA-N	409.313	3.974	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3c(SC)cnn3-c3ccccc3)CC2)cc1	768993019	KNHWAQFGXDNKQT-UHFFFAOYSA-N	423.542	3.957	10	20	HHCD	
COc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769574310	LFURPVULCJJLPE-UHFFFAOYSA-N	404.469	3.515	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)C3(O)CCSCC3)c2C)c1	769808653	NEWHQMZYBWRDGS-UHFFFAOYSA-N	419.568	3.800	10	20	HHCD	
CCCOc1cccc(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	771232378	AUYWAJZKAOOOPG-UHFFFAOYSA-N	411.546	3.696	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H](O)c1c(Cl)cccc1Cl	771844218	RIDFOAGHAXRHSU-YCRPNKLZSA-N	408.373	3.957	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C	772603645	KPSJHYSUTRWBFZ-AEFFLSMTSA-N	404.555	3.648	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	772998040	IJVCFIJZMOLRNN-IUKKYPGJSA-N	407.558	3.929	10	20	HHCD	
CCOC1CC(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)(N2CCOCC2)C1	774475914	JSFZBDTYGJVFKP-VFPJAPOESA-N	403.350	3.620	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2cc(OC)ccc2O)c1	775371031	LKJBXNPTBTXSRB-HOTGVXAUSA-N	413.518	3.561	10	20	HHCD	
C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4cccc(Cl)c4O)CC3)cc2NC1=O	775678209	BMRFFLCSLCRKSZ-CYBMUJFWSA-N	414.889	3.860	10	20	HHCD	
Cc1nn2cc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cnc2c1Cl	776082976	LSNPYEGSDVUDNU-UHFFFAOYSA-N	411.921	3.677	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)Sc1ccc(OC)cc1	777826675	QIRXSIGJVMJFRO-ZDUSSCGKSA-N	423.918	3.737	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)c(C)n1-c1ccc(Cl)cc1	779080097	POPNWRDJTFAJDR-ICSRJNTNSA-N	400.906	3.958	10	20	HHCD	
COC(=O)[C@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccc2c(c1)CCO2	779183501	VOCHTWKOKCDCPG-XMMPIXPASA-N	419.477	3.910	10	20	HHCD	
Cc1cc(C(=O)OC2CCN(C=O)CC2)c(C)n1-c1ccc(Br)cc1	779240906	RLABAMVCPSINIG-UHFFFAOYSA-N	405.292	3.634	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C)C(=O)Nc1ccc2nc(O)[nH]c2c1	783079686	JUUJGIUPNBMTOD-CYBMUJFWSA-N	424.482	3.922	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n(-c2ccccc2)n1	783326188	GAJIBLVHNQNYQJ-UHFFFAOYSA-N	419.529	3.622	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	785336705	IMQOPHAWZRXZHE-IBGZPJMESA-N	419.591	3.549	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc2cc(OC)ccc2c1	785899244	URDWHHFDWWQSIJ-UHFFFAOYSA-N	420.509	3.999	10	20	HHCD	
COc1cccc([C@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	786771747	XIUOGJYOZBJFMT-KRWDZBQOSA-N	410.514	3.940	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2O)c1	788587270	HOISSEXNKVVPTC-VXGBXAGGSA-N	402.438	3.731	10	20	HHCD	
CN(c1ccc(CNC(=O)Nc2ccc(-c3cnn(C)c3)nn2)cc1)C1CCCCC1	788790548	UYHYFEHOZSKDRW-UHFFFAOYSA-N	419.533	3.968	10	20	HHCD	
CCOc1ccc(CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C(C)C)cc1	788933063	OYXZHFUOIDSWTF-UHFFFAOYSA-N	423.557	3.739	10	20	HHCD	
Cc1cc(C)nc(-n2nccc2NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1	789314564	RFKIKAFTIASNIT-UHFFFAOYSA-N	405.506	3.542	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O	789891822	OADUYWJCEKJWKF-UFRMUOTOSA-N	421.280	3.730	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c[nH]nc1-c1ccoc1	789924986	RYFAKAZWALGDOP-UHFFFAOYSA-N	402.401	3.670	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790909633	YTMBHQHFGZRHFB-FPOVZHCZSA-N	418.541	3.530	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1	794854956	XDZKCPBWQHJYAM-UHFFFAOYSA-N	408.951	3.619	10	20	HHCD	
Cc1onc(-c2cccnc2)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	795360946	RGYVPCLLNBWLTO-HUUCEWRRSA-N	424.476	3.728	10	20	HHCD	
CCOCCO[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	799993354	GOVRGPGRNMVRCB-MJGOQNOKSA-N	423.985	3.913	10	20	HHCD	
Cc1ncc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1	803273544	XZZNDGBIAHBYHU-OVCLIPMQSA-N	419.553	3.571	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(N(C)C)cc1	803843913	YNWVDFXNAXTWFE-SCLBCKFNSA-N	417.962	3.937	10	20	HHCD	
CC(C)(C)c1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	806950435	SFENIRQECIJSSD-OAHLLOKOSA-N	404.461	3.774	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H](c1ccccc1)N(C)C	807404250	JUEQQHXGXCCZRL-HARLFGEKSA-N	411.546	3.774	10	20	HHCD	
CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1	809723289	FPZIXNZDVHAECF-FQEVSTJZSA-N	403.567	3.793	10	20	HHCD	
CC[C@@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1O	810212686	FEASAKQCMPEAFU-QGZVFWFLSA-N	416.465	3.571	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c1O	812438589	OPUKDZCFJCMKBH-WKILWMFISA-N	421.538	3.531	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ncn(C(C)(C)C)n2)c(C)n1-c1ccc2c(c1)CCC2	812695464	JXLBAURJBVOCQT-UHFFFAOYSA-N	420.513	3.969	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H]1CCCCC(F)(F)C1	813591504	YMXYSCUMWWTWFS-MRXNPFEDSA-N	413.484	3.802	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=N)N[C@@H]3CCOc4ccccc43)cc2F)C[C@@H](C)O1	849091178	XQAPYCCEXRIAAA-JXXFODFXSA-N	412.509	3.577	10	20	HHCD	
COc1cc(C)c(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1OC	914577365	XQNDXCBZSVARFH-UHFFFAOYSA-N	418.496	3.829	10	20	HHCD	
CCOc1ccc(CN2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1	914849460	JZCATXGIQZYRLE-UHFFFAOYSA-N	418.541	3.846	10	20	HHCD	
Cc1cccc(NC(=O)NC(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C	914904594	AKMSDAQZKODQCB-UHFFFAOYSA-N	420.469	3.611	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(OC[C@@H]4CCCO4)c3)CC2)cc1	917821358	AQXHRJUOEHKXCD-QHCPKHFHSA-N	410.514	3.606	10	20	HHCD	
CN(C[C@H]1CCCCO1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	918684508	PGPXNUMQUGTNOH-RGHBXIHOSA-N	424.613	3.757	10	20	HHCD	
CCNC(=O)CN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12	921030887	VIVARQMJHLTTJV-UHFFFAOYSA-N	414.889	3.695	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CCc2c(C)ncnc2O)c1C	1317967655	PPFORXWGUYEVLV-UHFFFAOYSA-N	407.470	3.565	10	20	HHCD	
C[C@@H](N[C@H](C)c1cc(Br)cc(Cl)c1O)C(=O)NCC(F)(F)F	1321027262	KDSIHNFQKMCZEY-RNFRBKRXSA-N	403.626	3.526	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3F)n2)cc1	1325858830	COGCGKPDPHLWDX-UHFFFAOYSA-N	423.466	3.525	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ncc(Cl)s2)NC(=O)OC(C)(C)C)cc1	1344360760	XXFIZNUYNQTGLJ-CQSZACIVSA-N	424.954	3.858	10	20	HHCD	
COCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1792950742	MAYNYHFYJAULKI-UADZTWIMSA-N	423.557	3.773	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(Cc3cccc(Cl)c3)C(C)C)nc12	71956800	KDEVUBRCSXTIQA-UHFFFAOYSA-N	402.882	3.676	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)ccc21	481932089	PBOCWCHZNRRLTJ-HNNXBMFYSA-N	407.470	3.876	10	20	HHCD	
CC(=O)NC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	726837120	VWMNKUHSSOCRRA-UHFFFAOYSA-N	408.857	3.527	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1	727170512	RLLGYQOTQGQSMV-LJQANCHMSA-N	420.513	3.560	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(CCc2cccnc2)C1=O	727863484	BRKAUGQMAGOOLP-GZTJUZNOSA-N	415.496	3.832	10	20	HHCD	
CCN1CCN(c2ccc(CNc3cnn(C(C)(C)C)c(=O)c3Cl)cc2F)CC1	730108281	KYJUWULXDQPEEP-UHFFFAOYSA-N	421.948	3.545	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CCN(C3CCN(C)CC3)C2)cc1	732823139	VUKUVQHSSSXTHE-XMMPIXPASA-N	406.618	3.971	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(Br)cn2)SC1=S	733813409	PHLTWEVBRWBRAE-QPEQYQDCSA-N	414.394	3.633	10	20	HHCD	
COc1ccc(-c2nnc(SCC(=O)NCCCSc3nccs3)o2)cc1	733884829	ZXDCIQJJNMTZRG-UHFFFAOYSA-N	422.557	3.592	10	20	HHCD	
CN1C(=O)C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1c1cccc(Cl)c1	734421904	HGJWDDSLRQDJGN-IRLDBZIGSA-N	411.933	3.776	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1C[C@H]1c1c(F)cccc1F	734858322	MYPBUDCEHAYBHX-APWZRJJASA-N	403.498	3.873	10	20	HHCD	
CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1C	736486337	SLMAMPGVDXNHHL-VQTJNVASSA-N	413.518	3.941	10	20	HHCD	
Cc1oc(-c2ccccc2F)nc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	737512183	OJKFHEPHKCTVSC-UHFFFAOYSA-N	413.424	3.695	10	20	HHCD	
O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	739126102	KTFKOYSCFKKYBE-UHFFFAOYSA-N	414.465	3.687	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	739700563	SETHKBUBCLWLDE-OALUTQOASA-N	419.591	3.549	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc(C=O)cc1Br	742590165	PHPHBTIHTKXXER-UHFFFAOYSA-N	419.319	3.755	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(CNC(=O)C=C(C)C)cc3)CC2)cc1	742618089	FGEOERACYYTHNC-UHFFFAOYSA-N	421.541	3.676	10	20	HHCD	
O=C(NCc1cc(Cl)c2c(c1)OCCO2)NCc1c(O)ccc2c1CCCC2	743536295	LMQKKRPTDFLVIQ-UHFFFAOYSA-N	402.878	3.695	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@@]3(C)c3ccccc3)cc2F)C[C@@H](C)O1	743555300	VEGJIKYZEBEIET-RWQNTZCISA-N	411.521	3.969	10	20	HHCD	
COc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1[N+](=O)[O-]	745704229	SUCBSNASQBKJKG-UHFFFAOYSA-N	400.479	3.790	10	20	HHCD	
CC(C)(C)c1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	746222276	AHWZZCRXUXICRN-HXUWFJFHSA-N	422.573	3.685	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ncc(C(C)(C)C)o3)cc2F)C[C@H](C)O1	746775442	YBZCIFVUZUAFGS-GJZGRUSLSA-N	418.513	3.724	10	20	HHCD	
CC1CCN(c2cccc(NS(=O)(=O)c3cncc(Br)c3)c2)CC1	747859860	GIWQNNAYLWQZIR-UHFFFAOYSA-N	410.337	3.881	10	20	HHCD	
CCCCN(C)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	749124483	NTDXZYONOHDJJW-NRFANRHFSA-N	422.573	3.555	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(C)c(Br)s2)c1	751319116	SXAHHFNXRMPDMV-SECBINFHSA-N	406.323	3.573	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](c3ccccc3)c3ccccn3)CC2)cc1F	753932722	MGMRCKMQBKVXSF-QHCPKHFHSA-N	420.488	3.851	10	20	HHCD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H](C)c3cc(F)cc(F)c3O)cc2)C1	756432299	PLISRUWTUPTVIN-HUUCEWRRSA-N	424.513	3.942	10	20	HHCD	
C[C@H](C[C@@H]1CCOC1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	759945714	UDLLVMPXNRAKPL-WAWJYGGWSA-N	424.613	3.661	10	20	HHCD	
C[C@@H](c1ccccc1)n1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)n1	760076865	IQTAQXDYVSQVNP-SFHVURJKSA-N	405.502	3.651	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c(C)n1-c1ccccn1	762376477	RCQBLBVOMNKSMQ-IBGZPJMESA-N	406.461	3.554	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCC3CN(C(=O)OC(C)(C)C)C3)c2C)cc1	762713279	MPABUQWAUCJNMS-UHFFFAOYSA-N	413.518	3.699	10	20	HHCD	
Oc1c(Br)cccc1CNc1nc2ccccc2nc1N1CCOCC1	764934839	NTJIMTHIMWJARI-UHFFFAOYSA-N	415.291	3.547	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCCN(CC(F)F)CC2)cc1)C1CCCCC1	766783507	QFNCKSGHNBMTGL-UHFFFAOYSA-N	408.537	3.938	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2cccc(Cl)c2)cc1C	768883709	VTPMZZHAKBSIAY-KTKRTIGZSA-N	414.936	3.823	10	20	HHCD	
O=C(NC1CCN([C@@H]2CCC[C@H]2O)CC1)N(Cc1ccccc1O)C1CCCCC1	769158128	YWCGXTKHVQKLJJ-FYYLOGMGSA-N	415.578	3.614	10	20	HHCD	
COc1ccccc1[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)OC(C)C	770491009	MWUSDYIWZOIKHV-NRFANRHFSA-N	403.498	3.866	10	20	HHCD	
NC(=O)c1cc(OC2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)ccn1	771621028	WBNMMMCWQCZDTD-UHFFFAOYSA-N	417.465	3.829	10	20	HHCD	
CCOC(=O)c1sc2nc(CN(CC)c3ccc(OC)cc3)nc(N)c2c1C	772203174	VBTOBSXOHZWXEI-UHFFFAOYSA-N	400.504	3.794	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775637674	XFMCLJNDNXGQSX-OAHLLOKOSA-N	404.536	3.787	10	20	HHCD	
COc1ccc(OC)c([C@H]2CCCN2C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1	775831078	OZBHVVOEZHFWOM-VGOFRKELSA-N	411.546	3.784	10	20	HHCD	
CC(C)(C)Oc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1	779408242	RXGBWIOHQKJANE-IBGZPJMESA-N	413.518	3.855	10	20	HHCD	
CCOc1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	785750832	VOYBYHOPSLERIE-IBGZPJMESA-N	423.557	3.911	10	20	HHCD	
O=C(Nc1cccc(C(F)(F)F)n1)C(=O)N(Cc1ccco1)Cc1ccccc1O	786278193	VLDGKVISLYZIHR-UHFFFAOYSA-N	419.359	3.567	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2scc(C)c2I)c1	787130972	DTIIWPUKJZPINT-VIFPVBQESA-N	417.268	3.866	10	20	HHCD	
COC(=O)c1sc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c(C)c1Cl	788492009	IJKVBIZXYNKPAZ-UHFFFAOYSA-N	403.909	3.928	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)c1O	797744770	QYSPYKJUFFHSBD-SFHVURJKSA-N	400.475	3.591	10	20	HHCD	
COc1coc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)cc1=O	798672285	NCVKPXKCDJNITA-UHFFFAOYSA-N	413.401	3.543	10	20	HHCD	
O=S(=O)(c1cccc2nonc12)N(Cc1ccccn1)c1ccc(Cl)cc1	799185459	MUGUOTRBHRTMRY-UHFFFAOYSA-N	400.847	3.667	10	20	HHCD	
CC[C@@H]1CCc2nc(NC(=O)NCc3ccc(N4CCOCC4)cc3)sc2C1	799432287	MIEIVARHHRUNSJ-OAHLLOKOSA-N	400.548	3.816	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1	802781943	JHOWYUJGSQWTEM-DNVCBOLYSA-N	404.457	3.735	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCN(Cc2ccccn2)CC1	804923109	RQCQGGFWGUAVPK-UHFFFAOYSA-N	409.317	3.558	10	20	HHCD	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C(=O)NCCCSc1nccs1	806277417	BFWXJHBNMIQBMK-OAHLLOKOSA-N	403.573	3.569	10	20	HHCD	
O=C(N[C@H](CCCO)c1ccccc1)C(=O)N(Cc1ccccc1O)C1CCCCC1	807431286	COEFZACJYQYAGG-JOCHJYFZSA-N	424.541	3.684	10	20	HHCD	
Oc1ccccc1CN(Cc1cn2ccc(Br)cc2n1)C[C@@H]1CCCO1	811454102	VYRUWVMWHRBLNC-SFHVURJKSA-N	416.319	3.984	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCCCC34CCCC4)cc2)C1	812930619	PYJCZPSDTFDOLK-PZJWPPBQSA-N	412.578	3.691	10	20	HHCD	
COc1ccc([C@H](O)C2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)cc1	813073243	SDZASMVKUKQZMX-QHCPKHFHSA-N	411.546	3.725	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccc(C(C)=O)cc1	819518720	BGCXZGWGKVCSOK-UHFFFAOYSA-N	410.514	3.820	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2cnn(-c3ccccc3)n2)cc1	915847714	PUYJRWCTBAMNPD-UHFFFAOYSA-N	415.497	3.698	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cccc(CN2CCCC2)c1	916401589	HRJXEKIWNGBGMK-UHFFFAOYSA-N	424.614	3.835	10	20	HHCD	
CC(C)C(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	916678235	QYZLXRPKPOIFRO-UHFFFAOYSA-N	424.545	3.812	10	20	HHCD	
COC(=O)NCC(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1	917572594	NIDJVLDEFJBDFO-UHFFFAOYSA-N	402.451	3.651	10	20	HHCD	
CCCOc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1OC	920473892	YZHMFERNJDYZMJ-QGOAFFKASA-N	406.573	3.779	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)NC1(C2CC2)CCOCC1	1320286176	WSPCMZHATFHUBV-UHFFFAOYSA-N	409.477	3.515	10	20	HHCD	
C[C@H](NC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(N2CCOCC2)cc1	111136447	SXQFBSDZPHKPMD-ZDUSSCGKSA-N	400.429	3.828	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1F	303307378	DXOPQYZZBXVTQP-UHFFFAOYSA-N	402.470	3.961	10	20	HHCD	
CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1	507982607	CYTKFAVTAGIBPL-UHFFFAOYSA-N	402.882	3.539	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1c(C)c2ccccc2n1C)[C@H]1CCCc2cccnc21	571595020	XXXMZSPSVTYQRW-NRFANRHFSA-N	418.541	3.814	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3OC)C[C@@H](C)O4)SC2=S)cn1	726985622	CWYAHFFJRXDXNF-JWHLFPLYSA-N	414.508	3.828	10	20	HHCD	
CN(C)CC(C)(C)CNC(=S)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	727079052	VBGMJHMEXLKUBE-UHFFFAOYSA-N	402.608	3.810	10	20	HHCD	
Cc1csc(CCCCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	727231008	WOWHDZQNZPVGER-GOSISDBHSA-N	403.548	3.871	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1c[nH]c2cc(Cl)ccc12	727907345	HALFITLMYQBLJB-UHFFFAOYSA-N	413.905	3.632	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F	728140090	PORLOXUBCATHMX-UHFFFAOYSA-N	411.399	3.898	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2c(C)cc(Br)cc2C)c1	729064773	WKWRJULZFCZZKG-GFCCVEGCSA-N	421.291	3.596	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)c(C)n1-c1ccc(F)cc1	729541834	LOUXZFFJQLVRRO-QGZVFWFLSA-N	418.415	3.681	10	20	HHCD	
COc1ccnc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1	730295266	OOOFUDYXNKJIIO-UHFFFAOYSA-N	407.809	3.876	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)cc1F	731404348	KGVWYRQLGFBKTQ-UHFFFAOYSA-N	407.530	3.935	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1	733664671	HQKGCXXSCNNBOA-UHFFFAOYSA-N	413.433	3.988	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(OC)c(OC)cc2Br)c1	734060762	IOAAKNPZZHWYBV-UHFFFAOYSA-N	411.252	3.502	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(CC4CCOCC4)CC3)c2C)cc1C	736318430	ISNPIGYJYFVUAH-UHFFFAOYSA-N	423.601	3.938	10	20	HHCD	
CN(c1ccc(CNC(=O)NCCCOC[C@@H]2CCOC2)cc1)C1CCCCC1	740909792	KNCQSUCWCJTFRL-FQEVSTJZSA-N	403.567	3.698	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O	741090562	KMGBLJMIWHNHDO-OAQYLSRUSA-N	424.932	3.663	10	20	HHCD	
O=C(Nc1ccccc1OCC1CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	741095844	UDNJJCKDWOULMV-UHFFFAOYSA-N	420.465	3.942	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c(C)n1-c1ccccn1	741235657	UBFHJUXBMSTYKX-AUSIDOKSSA-N	418.541	3.508	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCSc4ccccc43)cc2F)CC1	741926444	HQCLUOBJCIIXHK-LJQANCHMSA-N	413.562	3.863	10	20	HHCD	
CCc1csc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	743224181	CDNHODPKPDOOHN-UHFFFAOYSA-N	414.453	3.883	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(N2CCCC2=O)cc1	743808606	ZLLLYBWDEOSKSF-UHFFFAOYSA-N	417.303	3.944	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1COc2ccc(OC)cc2C1	743808715	CNIKGMWBFHVHQK-HNNXBMFYSA-N	420.303	3.763	10	20	HHCD	
CCCn1ccc2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cc21	743918465	WCGNPHULUJKBFB-UHFFFAOYSA-N	402.498	3.682	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	749573760	IDBSNBWLGJPDJT-GBXCKJPGSA-N	404.558	3.773	10	20	HHCD	
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	750670432	KTECABQNIRXPQU-WCZIJOHHSA-N	404.532	3.777	10	20	HHCD	
Cc1cc(Br)ncc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	754457076	QTMYJYZHGUYLSU-AWEZNQCLSA-N	419.323	3.872	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CN[C@@H](C)c2cc(Br)c(F)cc2O)c1	756383930	LOFHEMFTWHWGHJ-BTDLBPIBSA-N	414.271	3.695	10	20	HHCD	
C[C@H]1CN(CCCCN[C@@H](C)c2cc(Br)c(F)cc2O)C[C@@H](C)O1	756481612	DPQRZCRYPXALGY-MJBXVCDLSA-N	403.336	3.834	10	20	HHCD	
O=C(CCC1CCCCC1)N1CCN(C(=O)NCCCSc2nccs2)CC1	759601906	PWFNDIWKKYOYHP-UHFFFAOYSA-N	424.636	3.840	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3nc4ccc(F)cc4s3)SC2=S)cc1	760988673	IOOZPKDPINZAPM-RIYZIHGNSA-N	415.496	3.940	10	20	HHCD	
CC[C@@H](CC(F)(F)F)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	761019601	MSMVWLRWZXHDHP-JTQLQIEISA-N	422.450	3.715	10	20	HHCD	
COc1ccc(N2CCC(N3C(=O)[C@@H](Cc4ccccc4)N(C4CC4)C3=O)CC2)cc1	761224519	WPWCDAZEEAQCIH-HSZRJFAPSA-N	419.525	3.702	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccc(I)cc12	762800837	VXSIRKCQTNNJLI-SNVBAGLBSA-N	421.238	3.689	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Cl	765954819	PIASNVHPVDGKJB-UHFFFAOYSA-N	417.937	3.557	10	20	HHCD	
CCOC(=O)C(C)(C)n1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cn1	766146121	UQPCNDWAUQOJNR-UHFFFAOYSA-N	412.465	3.980	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2cnnn2)cc1	766238718	XUFOHFIZIPCSBV-DOTOQJQBSA-N	414.460	3.583	10	20	HHCD	
COc1ccc2c(c1)CCCN2Cn1nc([C@@H]2COc3ccccc3O2)n(C)c1=S	766341701	NSAFFEYMANFRFW-FQEVSTJZSA-N	424.526	3.882	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1C(F)(F)F	767884808	UNJTZSYWSOAVHC-UHFFFAOYSA-N	414.374	3.875	10	20	HHCD	
Cc1cccc(C(=O)N2CCCN(Cc3cc(Br)ccc3O)CC2)c1	768250743	CPLOIRYQPJGDIO-UHFFFAOYSA-N	403.320	3.811	10	20	HHCD	
C[C@H](NCc1nc(COc2ccccc2)n[nH]1)c1cc(Br)c(F)cc1O	769984909	FXZKOISUZPAKGK-NSHDSACASA-N	421.270	3.842	10	20	HHCD	
CNc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(Cl)n1	771052424	FBPFJHSQJHSCMP-OAHLLOKOSA-N	409.317	3.530	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2)nc1)c1ccc(N(C)C)cc1	773844705	FELWRAKZQHFCPA-KRWDZBQOSA-N	418.497	3.543	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(N(C)C)cc1	773847769	SURUFDKGPUGMLX-INIZCTEOSA-N	417.513	3.632	10	20	HHCD	
Cc1coc(-c2cc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc2C)n1	773859608	WRAVOUWSJZQNRE-INIZCTEOSA-N	406.486	3.840	10	20	HHCD	
CN(C)c1ccc([C@H](CNC2C[C@@H]3CC[C@H](C2)N3C)NC(=O)OC(C)(C)C)cc1	774303061	REQIKTOLAHYTJT-KRIYCRJKSA-N	402.583	3.533	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2cc(OC)ccc2O)c1	775371035	LKJBXNPTBTXSRB-JKSUJKDBSA-N	413.518	3.561	10	20	HHCD	
CCOc1ccccc1[C@@](N)(C(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F	776317056	WTZAXYNHNSZRGT-HXUWFJFHSA-N	409.452	3.526	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@](O)(c4ccc(F)cc4)C3)ccc21	776991490	NABYDQUEEUKIES-XMMPIXPASA-N	410.489	3.777	10	20	HHCD	
CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779545955	VOQHALQDYLKRFB-UFGZHAOTSA-N	406.276	3.766	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC1	780681101	MJAISGNHGTWOAJ-KRWDZBQOSA-N	417.550	3.860	10	20	HHCD	
Cc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)s2)o1	781625296	WHOSOOSLVNVNRZ-QGZVFWFLSA-N	423.538	3.948	10	20	HHCD	
O=C(OCC(=O)c1ccc(O)c(O)c1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1	782304709	VSOBCMXTLPRTQU-HXUWFJFHSA-N	416.433	3.831	10	20	HHCD	
O=C(COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc(O)c(O)c1	782463665	RLQFPYVMGNACGT-UHFFFAOYSA-N	412.419	3.637	10	20	HHCD	
Cc1cc(-c2ncccc2NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cs1	782517275	RUTPXESLKLBPSW-UHFFFAOYSA-N	420.538	3.756	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnc(Br)c(C)c3)CC2)cc1F	783116507	XTRJOWDNGMVCDK-UHFFFAOYSA-N	423.286	3.654	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2c(F)cccc2-n2cccn2)cc1	784109114	PPQJXDUFOKQRLI-UHFFFAOYSA-N	421.476	3.756	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3ccccc3Cl)cc2)CC1	786261401	FACJIVWUJZISRW-KRWDZBQOSA-N	413.949	3.504	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1	787089284	JCICZNFVXNOSGZ-UHFFFAOYSA-N	411.502	3.817	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1C	789727347	NAGMZAOFHNUMEV-UHFFFAOYSA-N	418.500	3.774	10	20	HHCD	
COCCNC(=O)c1ccc(NCc2cccc(Br)c2O)cc1Cl	789888145	DDOANELNBJYVSB-UHFFFAOYSA-N	413.699	3.796	10	20	HHCD	
COCCCC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1	792050954	JAUOYVAMVVBBEB-QHCPKHFHSA-N	411.546	3.880	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(S(=O)(=O)N(C)C)c2)c(C(F)(F)F)c1	793086113	QZHYXXWHACNLKT-UHFFFAOYSA-N	401.454	3.634	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(-c4ccncc4)c(C)c3)CC2)cc1	793892828	WMWLSNLLVPJDAE-UHFFFAOYSA-N	416.525	3.826	10	20	HHCD	
COc1ccc(CNc2nc(C)c(C)nc2NCc2ccc(OC)cc2O)c(O)c1	795286067	YWSIATAWXNKTMB-UHFFFAOYSA-N	410.474	3.746	10	20	HHCD	
O=S(=O)(Nc1cc(F)c(Br)cc1Cl)c1cccc2nonc12	799125377	LONODBSAEGKSEI-UHFFFAOYSA-N	406.620	3.579	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCc4cnn(C)c4C3)cc2Cl)C1	800051104	LGTMNHMOTDZMPR-RDJZCZTQSA-N	400.954	3.731	10	20	HHCD	
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	806496295	SXVDQJLDHMNGQD-RZFNWQHOSA-N	420.557	3.681	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc(N2CCOCC2)cc1	806542532	UVZPIQOWMBNVAR-ROKPMTFOSA-N	422.573	3.546	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F	806899585	KWKWWUOMTKAEKL-UHFFFAOYSA-N	413.827	3.988	10	20	HHCD	
COc1cc(Cl)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807511628	RHWMOUPGQHDMEY-UHFFFAOYSA-N	403.649	3.616	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O	808094483	QPYYVAVZSCSPEA-MRXNPFEDSA-N	411.907	3.651	10	20	HHCD	
CCOCc1nc([C@H](C)NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)no1	811996053	ZGMINGSRDIFLOM-INIZCTEOSA-N	411.506	3.617	10	20	HHCD	
COc1ccc([C@H](O)C2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1	812876384	CRRJJRZRIYUMGR-DEOSSOPVSA-N	423.557	3.951	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2cc(Cl)c(F)cc2O)c1	816607510	WGZLDZKSTWVERF-UHFFFAOYSA-N	416.902	3.836	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)OC)c3)n2)cc1	818784100	VXGNAONFAZPQBR-UHFFFAOYSA-N	402.497	3.960	10	20	HHCD	
NC(=O)c1c(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)sc2c1CCCC2	869872713	QGAGHWKSTICFEZ-UHFFFAOYSA-N	422.482	3.611	10	20	HHCD	
C/C(=C/C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CC1	919547346	VEDWGLHYMMSEPB-DINCDJDBSA-N	403.434	3.689	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	921280657	IPCKTPIEMDJLMC-GASCZTMLSA-N	401.438	3.586	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C	1116048822	YAKVQTBQOGGCFS-QGZVFWFLSA-N	406.571	3.930	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3ccc(F)c(F)c3)cc2F)CC1	1323164806	QOEFCEQMBAJZEY-OAHLLOKOSA-N	405.464	3.666	10	20	HHCD	
CC(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1	1806722120	XJDIDWVXUVTWJA-ISKFKSNPSA-N	416.525	3.829	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3C)cc1	7176673	ALMSERYABFWMAN-UHFFFAOYSA-N	402.450	3.653	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCC[C@H]3C(=O)Nc4ccccc43)c2C)cc1	27141162	MAJYPTJVXWBSEI-HXUWFJFHSA-N	403.482	3.959	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(Br)cn3C(C)C)CC2)cc1	97393378	LSFKQCJPKYUTLQ-UHFFFAOYSA-N	406.324	3.803	10	20	HHCD	
COC(=O)c1cc([N+](=O)[O-])c(N2CCCN(c3ccc(OC)cc3)CC2)cc1Cl	301659392	IURIUZQBWWGICX-UHFFFAOYSA-N	419.865	3.760	10	20	HHCD	
O=C(CCSc1ccc(F)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	303694596	MXAVCNARSVPUEV-UHFFFAOYSA-N	402.535	3.833	10	20	HHCD	
CC(C)COC[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccco1	725867837	MDXHOTGFZSJTQH-NRFANRHFSA-N	415.534	3.672	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cc(F)cc(F)c2)nc1-c1ccccc1	727249632	FFMFWJCVMUDGNO-UHFFFAOYSA-N	424.450	3.605	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CCCN(C)C2)c(C)n1-c1cccc(Br)c1	731025184	NNVZNILKYHWKLF-MRXNPFEDSA-N	404.352	3.928	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)cc1F	731409351	QTFVSINKGFWXEP-UHFFFAOYSA-N	419.472	3.853	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1	732114509	GAIUQZKDOOQKDC-LJQANCHMSA-N	423.557	3.941	10	20	HHCD	
CCN(C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H](C)CS(C)(=O)=O	732948608	KUBOWJRQXWRCRW-OAHLLOKOSA-N	410.967	3.572	10	20	HHCD	
CNC(=O)COc1ccc(OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1	734146625	IZAFOEKTFBMRAF-UHFFFAOYSA-N	406.482	3.789	10	20	HHCD	
Cc1cc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)nc(C2CC2)n1	734835395	VJLFIXIYWZDCGT-UHFFFAOYSA-N	419.508	3.530	10	20	HHCD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	735686182	BDVBDCWEZUGEED-IRLDBZIGSA-N	417.594	3.536	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(Oc2ccncc2)c1	737099032	BOIBFONMIBEJNY-UHFFFAOYSA-N	416.481	3.729	10	20	HHCD	
COC[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(C)C	741611051	ICHAFHWMYLHEOR-MKRLJBPISA-N	412.602	3.517	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@]3(C)CCc4ccccc4C3)CC2)cc1	742491454	MVARSPYBOUVXKC-AREMUKBSSA-N	421.585	3.519	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1C	743047089	XJWIJBCZSPURGS-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1	743311571	JDBFWZARYARQRA-IBGZPJMESA-N	409.313	3.731	10	20	HHCD	
CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1cc(Br)ccc1O	744425110	BCJGMBBUZMPGLV-UHFFFAOYSA-N	422.279	3.832	10	20	HHCD	
Nc1ncnc2c1ncn2CCCOC(=O)c1ccccc1N=Nc1ccc(O)cc1	748861155	MDRYSOIMJOUGEY-UHFFFAOYSA-N	417.429	3.777	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1	749633505	QSLIKQNQJXKZJD-UHFFFAOYSA-N	402.926	3.507	10	20	HHCD	
COC(=O)[C@H]1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1	750826828	FGXOPOXPNNMFDP-HOTGVXAUSA-N	400.441	3.623	10	20	HHCD	
COc1cccc(CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1O	751309437	LZHIHFZLVCYBRV-UHFFFAOYSA-N	406.529	3.787	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C	751386563	IYDUOTDEXFHZJT-UUOWRZLLSA-N	419.569	3.685	10	20	HHCD	
O=C1COc2ccccc2N1CCCNCc1ccc(OCc2ccccc2)cc1O	753566476	QRSYMAUIVGRUKO-UHFFFAOYSA-N	418.493	3.877	10	20	HHCD	
COc1cc(CN2CCC(C(=O)NCC(F)(F)F)CC2)c(O)c(C(C)(C)C)c1	754727431	ZIINYIFJHATQEB-UHFFFAOYSA-N	402.457	3.589	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1-c1ccccn1	754880224	DIWWLNLAFYQOTA-UHFFFAOYSA-N	421.472	3.663	10	20	HHCD	
CN(CCC1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	757712086	JGMMHHNBGNEXMQ-QGZVFWFLSA-N	411.493	3.715	10	20	HHCD	
COc1ccc(CN2CCCN(C(=O)NCCCSc3nccs3)CC2)cc1	759589396	IUBPMWCGGMHEQE-UHFFFAOYSA-N	420.604	3.551	10	20	HHCD	
CN(C(=O)NCCCSc1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1	759589610	KKPNUHRZBJLBBF-UHFFFAOYSA-N	414.597	3.666	10	20	HHCD	
COc1cc(N2CCN(CCSc3ccc(F)cc3)CC2)cc(OC)c1OC	759873573	VWBCQPVCOUEAHE-UHFFFAOYSA-N	406.523	3.766	10	20	HHCD	
CN1C(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)[C@H]1c1ccccc1	761635064	GUMBAQWJGJCGFS-IEBWSBKVSA-N	415.440	3.892	10	20	HHCD	
COc1ccc(OC)c([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	764770564	CYYIWVZDVKOPAI-YCRPNKLZSA-N	420.937	3.578	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@H](C)c2ccc(N3CCCCCC3)cc2)CC1	764929038	VGFNMQYDIPZCFQ-LJQANCHMSA-N	407.624	3.922	10	20	HHCD	
CC(C)Cn1ncc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1C(C)C	766578285	RNOSEQNRQPZCGW-UHFFFAOYSA-N	411.550	3.518	10	20	HHCD	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1	766742708	ACXFLUFWGJOIBA-UHFFFAOYSA-N	412.487	3.747	10	20	HHCD	
O=C(Nc1ccc(F)cc1F)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769591465	IOUOPTJHOADSAV-UHFFFAOYSA-N	410.423	3.785	10	20	HHCD	
COc1ccc(-n2nc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc2C)cc1	770669716	FJGFNNONEUGPOZ-UHFFFAOYSA-N	422.554	3.673	10	20	HHCD	
O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1ccc2c(c1)CCCO2	771595377	HMFQCRQGRRHRID-UHFFFAOYSA-N	400.481	3.828	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ncccc12	773858389	PWCHKGVVPZMACY-HNNXBMFYSA-N	406.486	3.515	10	20	HHCD	
COC(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1C	784060293	CFZPWEOACSMFDO-UHFFFAOYSA-N	409.486	3.668	10	20	HHCD	
C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1c1cccc(F)c1	788911579	PKULQYLNXXWODQ-VGOFRKELSA-N	409.505	3.652	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(Br)n2)cc1	793035357	FOKCTWAKHOCERX-UHFFFAOYSA-N	417.307	3.588	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1C(=O)NCc1ccco1	796330975	PVMBQXKODHPYML-UHFFFAOYSA-N	419.481	3.610	10	20	HHCD	
COc1ccc(O)c([C@H](C)Nc2cnc(N3CCOCC3)c(Br)c2)c1	798940715	MRLNEIXQSCSMQP-LBPRGKRZSA-N	408.296	3.568	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=S	799201282	WJZSURUOCSGQQC-PTNGSMBKSA-N	409.529	3.637	10	20	HHCD	
CNC(=O)CSCC(=O)c1cc(C)n(-c2ccc(Br)c(C)c2)c1C	799309452	GXINDQVOSCRUSL-UHFFFAOYSA-N	409.349	3.827	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)c(C)n1-c1ccc(Cl)cc1	800623333	MRVRRTFQIOEFGF-GOSISDBHSA-N	408.951	3.787	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N(C)C[C@@H](O)C(F)(F)F)cc2Cl)C1	800720373	SDJLDFXIZNUKQB-BLLLJJGKSA-N	407.864	3.641	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(F)c(C(C)=O)c3)cc2F)CC1	806571034	OZKYUIBHGQSDNG-UHFFFAOYSA-N	416.472	3.631	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1	806912271	DMVZGXCRILXDRK-UHFFFAOYSA-N	422.485	3.580	10	20	HHCD	
CCN(C)C(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	807007073	ZSPOTGSJJNPJAK-UHFFFAOYSA-N	422.529	3.665	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C[S@](C)=O)cc1	807560645	UUHGHEQXENLCRJ-NDEPHWFRSA-N	401.576	3.751	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1	809367761	QWAKFIHDGIXRKZ-IBGZPJMESA-N	422.573	3.579	10	20	HHCD	
COc1ccc(C[C@](C)(O)CNCc2cc(Cl)cc(Cl)c2O)cc1OC	810174662	WMZRUOSVOATZHW-IBGZPJMESA-N	400.302	3.800	10	20	HHCD	
Cc1cc(C(F)(F)F)ncc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	810268770	YGRWQSCUIJPMJO-UHFFFAOYSA-N	412.387	3.706	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCSC2)NC(=O)OC(C)(C)C)cc1	810447365	NKEQZEFFBGMGHX-SJLPKXTDSA-N	407.580	3.578	10	20	HHCD	
C[C@H](c1ccccc1)[C@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(N)=O	813608157	CSDGTNZDZNQUDF-JPYJTQIMSA-N	422.573	3.912	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)[C@H]3OCCc4sccc43)CC2)cc1	814107771	SVMZPRLCBSGVKQ-IIBYNOLFSA-N	400.544	3.746	10	20	HHCD	
Cc1ccccc1CN1CCC(NC(=O)COc2ccc(N3CCCC3)cc2)CC1	820707026	ZNDRACJBPUGWIP-UHFFFAOYSA-N	407.558	3.755	10	20	HHCD	
Cc1cc(CC(=O)NC[C@@H](O)COc2ccccc2)c(C)n1-c1ccc(Cl)cc1	915080834	BTFRJFGVXPEVOX-OAQYLSRUSA-N	412.917	3.846	10	20	HHCD	
CCCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1OCC	916619655	ZOYVFWAHJLFWTN-UHFFFAOYSA-N	408.834	3.978	10	20	HHCD	
CCN(CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C)c1	918186611	NIHPKDDCMFNGOZ-UHFFFAOYSA-N	424.589	3.529	10	20	HHCD	
CSc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccn1	919690883	XTZIHUIDCOGWQX-UHFFFAOYSA-N	411.449	3.589	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(Cc2ccccc2)n1	919969979	MRARHLXPDWRXRS-UHFFFAOYSA-N	421.566	3.873	10	20	HHCD	
CCCCN(C)CC1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	920921481	HSGNIVKHNYXCKF-FQEVSTJZSA-N	416.610	3.738	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(Oc2ccccc2)CC1	1118834962	HRRDNJIGZVRVBL-GOSISDBHSA-N	400.906	3.738	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(COc2cccc(C=O)c2)c1	1320386981	QNUQXTMCRNXTFC-INIZCTEOSA-N	405.450	3.850	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccsc3)c2C)cc1	5405344	DGEXGWAZMIZUSN-UHFFFAOYSA-N	411.479	3.911	10	20	HHCD	
COc1ccc(N2CCC(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1	237573002	AEVDDJTYZSWBEM-UHFFFAOYSA-N	421.501	3.763	10	20	HHCD	
Fc1cc(CNc2ccnc3cc(Br)cnc23)ccc1N1CCOCC1	302110086	PCIKPAHIHCNNPQ-UHFFFAOYSA-N	417.282	3.980	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(C(C)C)C2=O)c(C)n1-c1ccccc1Br	303562599	LKCFSNIQVXCTJB-KRWDZBQOSA-N	418.335	3.596	10	20	HHCD	
CN(C)C(=O)C[C@H]1CN(Cc2cn(C)nc2-c2cccnc2)c2ccc(Cl)cc21	576553415	XPMSAARFLMXZMI-INIZCTEOSA-N	409.921	3.718	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)cc1	726499651	GBNVTAIBJKJNMM-NRFANRHFSA-N	423.557	3.549	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCNc3cc(Cl)ccc3OC)CC2)cc1	726562592	MDQSSTUJRWFMFL-UHFFFAOYSA-N	417.937	3.944	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c[nH]c2ccccc2c1=O	726568266	ZZBGSKDHHGOBDI-UHFFFAOYSA-N	413.424	3.528	10	20	HHCD	
CC(C)c1nc(CCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1	726615064	XCIKPBFSJXGXEU-INIZCTEOSA-N	402.564	3.706	10	20	HHCD	
O=C(COC(=O)c1cccc(F)c1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	726679822	BIMUTOIYALJPPN-UHFFFAOYSA-N	421.355	3.536	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)COc1ccccc1	726856386	IVFGUMHBOYZXPY-QGZVFWFLSA-N	412.511	3.873	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)cc1	727306389	OBQKZILPTCIANO-FQEVSTJZSA-N	403.473	3.695	10	20	HHCD	
COC(=O)Nc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1F	727596555	VRWMPSDJROEODQ-CQSZACIVSA-N	416.453	3.723	10	20	HHCD	
COc1ccc(N2CCCN(CCCCCn3nnc(-c4ccccc4)n3)CC2)cc1	729474103	ZQMBEVDTVBJORM-UHFFFAOYSA-N	420.561	3.731	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)Nc3ccc(OC)c(F)c3)cc2F)CC1	730156000	GQWSMKHOYRFYIB-UHFFFAOYSA-N	420.529	3.602	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1	731280424	VYDXIRSEGFSXII-JOCHJYFZSA-N	411.546	3.696	10	20	HHCD	
CCOc1ccc(CNCCC(=O)Nc2cc(Br)ccc2C)c(O)c1	733332458	ZWFYQNUEIFXVSJ-UHFFFAOYSA-N	407.308	3.980	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3nc(-c4cccc(Cl)c4)no3)ccc21	734533817	JDQVHMBCCHBINY-UHFFFAOYSA-N	411.893	3.772	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cc2)C[C@@H](C)O1	741065030	NPCPNGVJKZFXPZ-KDURUIRLSA-N	406.530	3.998	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](Cn1cccn1)c1ccccc1)c1ccc(N2CCOCC2)cc1	741269248	FJNMEBKLKRKOTA-AUSIDOKSSA-N	419.529	3.521	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Br)cn1	742279540	WLRYFPIZOXNWJO-UHFFFAOYSA-N	412.353	3.509	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2c(nc1O)CCCC2	742798915	CZTQCOUEGKLRFX-OAHLLOKOSA-N	417.456	3.666	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1O	743333553	SNTFTVRTMPPOJS-HNAYVOBHSA-N	414.502	3.919	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C12CCCC2	743564404	KSUGZDABWRASHV-JRGCBEDISA-N	401.551	3.621	10	20	HHCD	
O=C1/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)NC(=S)N1Cc1ccccc1	746015553	ZZBCHHACFVINLK-AQTBWJFISA-N	422.510	3.843	10	20	HHCD	
COCCN(Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(OC)c(OC)c1	746474900	OPGAXVMNYRFOPG-UHFFFAOYSA-N	409.482	3.952	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCOc3ccc(CCC(C)=O)cc3)CC2)cc1	746777803	WZFXFGJWEPNPKE-UHFFFAOYSA-N	424.541	3.725	10	20	HHCD	
CC(C)c1nnc(CCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)o1	746845634	VSFJDTKUFVUYNJ-UHFFFAOYSA-N	408.449	3.512	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c1O	748049512	FJLLZUFZIJSTIJ-UHFFFAOYSA-N	407.297	3.860	10	20	HHCD	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	748627437	XQWVBAKUKOYATI-WMZHIEFXSA-N	411.546	3.658	10	20	HHCD	
CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751921171	XYRQYIQEVQZRGB-AWEZNQCLSA-N	423.494	3.703	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)c(F)c3)SC2=S)cc1	754681122	YNJDIJVDPGAKPU-ZSOIEALJSA-N	424.425	3.932	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(F)c(C(F)(F)F)c2)SC1=S	755381145	NXAXJIHACDIZBH-XYOKQWHBSA-N	407.410	3.999	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(CCC(C)C)c1CC	756191022	WWQKDOPZGRXYKK-UHFFFAOYSA-N	400.523	3.575	10	20	HHCD	
CCn1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1-c1ccccc1	756663793	GVUQHLMXUPXHLF-SFHVURJKSA-N	404.514	3.898	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1ccc(Cl)c(Cl)c1O	756730072	KVGFISDCDAZCQU-CYBMUJFWSA-N	410.345	3.841	10	20	HHCD	
CC(=O)[C@@H]1C[C@H](CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1(C)C	758793831	HSEVVIZCUOOCFW-OHQAAIJDSA-N	404.526	3.697	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3csc(C4CC4)n3)CC2)cc1	759145029	OKGDTTWBNLDLGQ-UHFFFAOYSA-N	403.573	3.611	10	20	HHCD	
C[C@H](C[C@@H]1CCOC1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	759945716	UDLLVMPXNRAKPL-WREPLZKASA-N	424.613	3.661	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)cc(OC)c1OC	760084099	KACHPVBNJNAYAM-UHFFFAOYSA-N	421.497	3.670	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3nc(C(C)C)cs3)cc2F)CC1	763703590	ISMOUEHFKZSMHK-UHFFFAOYSA-N	419.570	3.547	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1	764676696	SQQXKZCWSAVMMR-IBGZPJMESA-N	412.534	3.775	10	20	HHCD	
Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	765314002	KGMUSHCOAZWOII-HKUYNNGSSA-N	404.938	3.576	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccnn1Cc1ccc(F)cc1	765344299	BUSJSEIQZJEUDJ-UHFFFAOYSA-N	419.254	3.860	10	20	HHCD	
C[C@H](NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1	765365520	ZGUCHLRLMNIMEK-HNNXBMFYSA-N	420.912	3.980	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1CC	765904326	RFGCNMUWKNECIR-UHFFFAOYSA-N	405.292	3.534	10	20	HHCD	
Cc1cc(CC(=O)OCC2(CS(C)(=O)=O)CC2)c(C)n1-c1ccc(Cl)cc1	767545890	DMUCAYWDAYPZIW-UHFFFAOYSA-N	409.935	3.658	10	20	HHCD	
CNC(=O)Cn1nc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)cc1C	768000616	PJUGKNNOYZNJID-UHFFFAOYSA-N	419.489	3.671	10	20	HHCD	
COC(=O)c1cc2c(CN(C)Cc3ccc(N4CCOCC4)cc3)ccc(OC)c2o1	768208449	QDDJFMFMXBBABE-UHFFFAOYSA-N	424.497	3.697	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OC(F)F)c(Br)c1	768267215	ONXIQWXCPSKFHD-WQLSENKSSA-N	409.186	3.512	10	20	HHCD	
CCOc1ccc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c(O)c1	769191710	IRZOFKXJDNCWLI-UHFFFAOYSA-N	419.319	3.511	10	20	HHCD	
O=C(NCCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(F)(F)F	769306952	KNIKOJIKYWWKFW-HNNXBMFYSA-N	413.465	3.890	10	20	HHCD	
C[C@@H](NC(=O)NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(N(C)C)cc1	773437798	CITIMGVGFATOAS-OAHLLOKOSA-N	411.481	3.935	10	20	HHCD	
CCOC(=O)C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1	773615915	ZPQPUHJBSBTWTL-FOIQADDNSA-N	401.482	3.946	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C	773757761	ZMEUPDBUIGZUSZ-AWEZNQCLSA-N	400.475	3.735	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(OC)cc1	775201715	YLSSMDDASBFJQA-QHCPKHFHSA-N	423.557	3.815	10	20	HHCD	
C[C@@H](NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)c1ccc(N(C)C)cc1	775407047	QYVYBQKSPCRPBN-GOSISDBHSA-N	408.546	3.742	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(Br)ncc3C)CC2)cc1	776045730	OQZMHCZWPPIKAP-UHFFFAOYSA-N	419.323	3.905	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)n2)cc1	776083269	OIGHMONWPRRFCH-UHFFFAOYSA-N	419.919	3.924	10	20	HHCD	
CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2cc(OC)c(OC)cc2O)CC1	776173800	MWKDQJHAXKKVAE-MRXNPFEDSA-N	417.525	3.541	10	20	HHCD	
Cn1cc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)nc1Cl	776743210	DOSSSENOMWKHCZ-UHFFFAOYSA-N	420.903	3.857	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1	777517191	ZGBYCXNXQVZGSY-UHFFFAOYSA-N	407.562	3.599	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(Cl)cc(OC)c1O)c1ccc(OC)c(Cl)c1	779179757	HGZBCSGJUNGWOE-INIZCTEOSA-N	400.258	3.720	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NOCc2ccc(F)cc2Br)c1	780901482	BROLDYCQNCLDQE-JTQLQIEISA-N	413.243	3.794	10	20	HHCD	
CCOC(=O)[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@@H]1CCCOC1	781377597	JLXZVMGEFDARNH-OXQOHEQNSA-N	418.921	3.836	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@@H]3CCCN(C4CCC4)C3)CC2)cc1	781401860	MWBDWULEYRCXCY-VQTJNVASSA-N	414.594	3.570	10	20	HHCD	
O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(Br)cc2)c([N+](=O)[O-])c1	783714375	HBTJNHJEPZUJJM-UHFFFAOYSA-N	412.225	3.579	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1NC(=O)OC(C)(C)C	783902975	GLWSFRYNVNJFQB-UHFFFAOYSA-N	401.415	3.793	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)c2)n[nH]1	784058944	CXMHDNFEOQEGBF-UHFFFAOYSA-N	418.501	3.667	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccccc1Cl	785193207	STTWXZVESKKDPN-UHFFFAOYSA-N	411.683	3.795	10	20	HHCD	
CC(C)NC(=O)c1cnn2c1C[C@@H](CNCc1cc(-c3ccccc3)ccc1O)CC2	785565467	ZMKHWTUQXJPVND-SFHVURJKSA-N	418.541	3.746	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc2ccccc2o1	785585970	BHYCYBNVDPWSGX-APWZRJJASA-N	420.513	3.695	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1OC(F)F	787869687	MYGVSYLLGKQEGT-KDOFPFPSSA-N	419.472	3.799	10	20	HHCD	
CS(=O)(=O)c1cc(NC(=O)NCCCSc2nccs2)ccc1Cl	788302452	ZAAIFIJTAQNBCK-UHFFFAOYSA-N	405.954	3.504	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc([C@H]2CCCO2)nn1C	788723721	GHVUGCPYRUHCBU-MRXNPFEDSA-N	423.311	3.794	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c(O)c1	794382743	GMJUIOWQSIHDCH-GOSISDBHSA-N	404.894	3.515	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1	795094229	ZWGBWFNFXQCECT-UHFFFAOYSA-N	412.914	3.576	10	20	HHCD	
CC[C@H](NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccc(F)cc1O	796674624	INKAVLJOBCMJHU-VQTJNVASSA-N	418.509	3.663	10	20	HHCD	
Oc1c(F)cc(Cl)cc1CN1CCC(O)(c2scnc2Br)CC1	797604531	VOSOOXGYHWBSLR-UHFFFAOYSA-N	421.719	3.887	10	20	HHCD	
CCOc1ccccc1CN1CCN(Cc2cc(OC)c(OC)cc2O)[C@H](C)C1	799737250	AEGVGXFMDFKONO-QGZVFWFLSA-N	400.519	3.514	10	20	HHCD	
CNC(=O)CC1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	799994359	KZMTZEQFMNLFBB-INIZCTEOSA-N	420.985	3.634	10	20	HHCD	
Cc1nn(C)c(Br)c1C(=O)N(Cc1ccco1)Cc1ccccc1O	801168868	LGWXSKLUTZZNHE-UHFFFAOYSA-N	404.264	3.632	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H](C)Cc3cccs3)cc2)CC1	805025127	ONXJUNCHILIPSX-SFHVURJKSA-N	413.587	3.596	10	20	HHCD	
COc1ccc(-n2ccc(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)n2)cc1	805116029	IKKZXRMJEAVILP-UHFFFAOYSA-N	421.284	3.893	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N1CCC[C@@H](c2ccccc2)CC1	806281202	QGJBJHSPMJFIQW-QGZVFWFLSA-N	403.573	3.538	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)c1cccc(F)c1	807261227	QSTPSEYWNIJFPH-UHFFFAOYSA-N	413.537	3.723	10	20	HHCD	
O=C(NCc1ccc2c(n1)CCCC2)C(=O)N(Cc1ccccc1O)C1CCCCC1	807574211	NQSUGHISRZGMAO-UHFFFAOYSA-N	421.541	3.644	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccnc(C(F)(F)F)c3)cc2F)C[C@H](C)O1	808281291	CRGIKIWZNLUTFZ-STQMWFEESA-N	411.399	3.783	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(Br)ccc1C	808894809	OLCDWIXFFOYXAM-UHFFFAOYSA-N	419.319	3.518	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1O	809751952	KJHKUTNQUSBYQJ-INIZCTEOSA-N	415.494	3.854	10	20	HHCD	
CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812037000	INGPICMORUIYOR-UHFFFAOYSA-N	412.925	3.739	10	20	HHCD	
O=S(=O)(CC12CCC(CC1)C2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	812496918	RUGVKSLSLIPGNR-UHFFFAOYSA-N	414.518	3.757	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(OC(=O)N(C)C)CC2)c(C)n1-c1cccc(F)c1	815190873	CAFCFMZOTYZLFP-UHFFFAOYSA-N	401.482	3.579	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)cc1	816996296	LNSIASMEPQEFIU-MRXNPFEDSA-N	414.531	3.675	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCC(C(=O)NCC(C)C)CC2)c(C)n1-c1ccccc1	889005241	GXDGDUTUYZBIMI-UHFFFAOYSA-N	424.589	3.830	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)cc(F)c3)n2)cc1	1116198056	NXAXFYRBTAUBPH-UHFFFAOYSA-N	419.503	3.695	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1	1318716914	GHXROERQVFYTLV-NVXWUHKLSA-N	408.951	3.833	10	20	HHCD	
Cc1cc(CN2CCCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)no1	1322222169	ZKKAMWXTFDXHFL-UHFFFAOYSA-N	410.493	3.878	10	20	HHCD	
COc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCC(=O)O	16915435	BIZVAPHLZVNUNH-VCHYOVAHSA-N	412.467	3.858	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OC(F)F	207893103	KMCGARWGWKWNDW-UKTHLTGXSA-N	417.455	3.753	10	20	HHCD	
Cn1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2cccnc2)n1	237785494	DPAYULZLBLSPFM-GOSISDBHSA-N	413.472	3.842	10	20	HHCD	
COc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC	726566600	VWECWSPBQKGHRD-UHFFFAOYSA-N	406.429	3.704	10	20	HHCD	
COC(=O)c1cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(F)cc1F	726695939	LJUTVOKDAXQULX-UHFFFAOYSA-N	419.428	3.551	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)o1	730933142	XJKVTWJSJIZKFE-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1	732114787	LKNHAPFHFFEXLG-JPYJTQIMSA-N	412.530	3.879	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1	736657017	OPHZGOODBJWEOB-ICSRJNTNSA-N	411.521	3.998	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)Cc3ccc(C)s3)cc2F)CC1	738500521	OHZABSNOKSXASO-INIZCTEOSA-N	418.582	3.768	10	20	HHCD	
O=C(C[C@H]1OC(=O)c2ccccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742804978	DFDXHSLNPMOCCC-AUUYWEPGSA-N	416.424	3.675	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(=O)n(Cc2ccccc2)c1	743106735	NDIMAJKKSIDUQD-UHFFFAOYSA-N	403.482	3.803	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1	743658852	AYCJYRTVPUGRSY-HDMKZQKVSA-N	421.538	3.845	10	20	HHCD	
CCCNC(=O)c1cccc(C(=O)N(CC)Cc2cc(Br)ccc2O)c1	743809477	XSONFNKGHFOWOQ-UHFFFAOYSA-N	419.319	3.957	10	20	HHCD	
COc1cccc(Oc2ncccc2CNC(=O)NCc2cccc(OC)c2O)c1	745836872	VGPLZIWZRKFXAP-UHFFFAOYSA-N	409.442	3.596	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1nccs1	747024091	ZUWJLYPGVAFFQA-FMIVXFBMSA-N	410.567	3.929	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Br)cc1	749132522	QYRYUIZCWTYFNX-HNNXBMFYSA-N	423.376	3.535	10	20	HHCD	
CNC(=O)Cc1noc(CN(Cc2ccc(C(C)C)cc2)c2ccc(OC)cc2)n1	749830648	VBJMXKONZLWAIU-UHFFFAOYSA-N	408.502	3.697	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CC(c2cc(F)ccc2F)=NO1	751306686	ATMHHJUFSKBIFV-GOSISDBHSA-N	419.391	3.806	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1ncccc1F	752180831	NRQIZEFHDNQANB-GDNBJRDFSA-N	421.544	3.580	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1	754239737	ZXMVYKSJRNXGSI-GOSISDBHSA-N	423.435	3.520	10	20	HHCD	
CC(C)[C@@H](O)C(C)(C)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754661243	JBWWMNIMYCMXOA-MAUKXSAKSA-N	413.509	3.599	10	20	HHCD	
C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	755200324	JPCABMYKWYSALL-HNNXBMFYSA-N	406.498	3.846	10	20	HHCD	
COc1cc(CN[C@@H](C)c2ccc3ccccc3c2O)ccc1OCC(=O)N(C)C	756475017	GTWQEUYCWWYAPO-INIZCTEOSA-N	408.498	3.872	10	20	HHCD	
CCOCc1cc(CNC[C@H]2CSCCN2Cc2ccccc2)ccc1OC	758477927	ADIVZWOEIYHFDM-QFIPXVFZSA-N	400.588	3.939	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O	760790460	WMWCNZPBEGMNCN-UHFFFAOYSA-N	421.678	3.922	10	20	HHCD	
CC(C)CC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	761640583	FQDVDCKQCFSQMN-UNMCSNQZSA-N	414.594	3.889	10	20	HHCD	
CCN(Cc1cccs1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	763409873	KELOTSOCOGIEJC-UHFFFAOYSA-N	422.553	3.978	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC3CCC(O)(C(F)(F)F)CC3)cc2F)C[C@@H](C)O1	765125494	GDABEHKAPZHPEE-GYPAPIRSSA-N	404.448	3.765	10	20	HHCD	
Cc1ccccc1C[C@@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765280341	JWWCIBHQNRPAQV-HXUWFJFHSA-N	419.548	3.972	10	20	HHCD	
CC(=O)N1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC12CCCCC2	765697801	ITEBKJICEQVOPH-UHFFFAOYSA-N	422.525	3.696	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-]	770472830	ORRPLUNYPYMWLD-UHFFFAOYSA-N	413.446	3.684	10	20	HHCD	
COCCc1nc(C)c([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)s1	771373642	BQBQHMQDQYPESW-INIZCTEOSA-N	403.592	3.700	10	20	HHCD	
C[C@@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1ccc(N2CCOCC2)c(F)c1	773088149	NOWVBQQSSQDXMU-RTBURBONSA-N	412.553	3.934	10	20	HHCD	
C[C@@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(Cl)c(Cl)cc1O	774236010	HYRYJZOAMOEOMY-SECBINFHSA-N	417.305	3.614	10	20	HHCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CCN1C(=O)OC(C)(C)C	775048327	REWFGLGORPSAKG-SJLPKXTDSA-N	407.530	3.540	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(OC)cc1	775201714	YLSSMDDASBFJQA-HSZRJFAPSA-N	423.557	3.815	10	20	HHCD	
CCOC(=O)COc1c(Br)cc(C)cc1CNCc1ccccc1O	781917309	DPGMGFYPPIHROJ-UHFFFAOYSA-N	408.292	3.695	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	788953794	DNPGKVJPWYDVKF-UHFFFAOYSA-N	424.589	3.652	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1nc(C(C)C)c(C)s1	790010229	MLYFKEUYOIHMGH-UHFFFAOYSA-N	410.923	3.678	10	20	HHCD	
COC(=O)C[C@@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]1C	792919500	JYNMLOXNDCXVNC-DOXZYTNZSA-N	414.468	3.609	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1	793558844	IKQRZRCUSMYHQS-NSHDSACASA-N	403.422	3.674	10	20	HHCD	
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cc(Br)cc(OC)c1O	793607427	DOLMEWGQTKIXRT-SUMWQHHRSA-N	422.319	3.673	10	20	HHCD	
COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	797649176	ZTENKNHRYGLGOH-CHWSQXEVSA-N	408.882	3.918	10	20	HHCD	
C[C@@H]1C[C@@H](NCCCNS(=O)(=O)c2ccccc2Cl)c2c(O)ccc(F)c21	798934598	DGRUUFGTLBXOLI-IUODEOHRSA-N	412.914	3.691	10	20	HHCD	
O=C1COc2c(cc(Cl)cc2NC(=O)NCc2c(O)ccc3c2CCCC3)N1	806755391	PCXXMDURDDIMHG-UHFFFAOYSA-N	401.850	3.577	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC[C@H]1C	806926860	VPZPNVWKODUDAF-HBFSDRIKSA-N	411.546	3.815	10	20	HHCD	
O=C(NC[C@@H]1COc2ccccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	808370259	OKHCVMYQVKCQTE-HZPDHXFCSA-N	417.456	3.732	10	20	HHCD	
O=C(NC[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1)C(F)(F)F	811514979	SKDKHWSHRCMPDE-KRWDZBQOSA-N	422.447	3.862	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1	813535520	YTIWLCQLSZVASC-UHFFFAOYSA-N	404.461	3.591	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])CC2)cc1	813622319	OTAUYDARGLQKLN-UHFFFAOYSA-N	412.490	3.807	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)N(C)[C@@H](C)c3cc4ccccc4o3)CC2)cc1	916985234	YUBUGEZVLKABKI-SFHVURJKSA-N	407.514	3.783	10	20	HHCD	
Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N(C)Cc4ccccc4O)cc3)nc12	918444587	SQFJZWXWAOJXFA-UHFFFAOYSA-N	414.465	3.612	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2OC(F)(F)F)C2CC2)cc1	918456378	JQHKLDUZSDNJLG-UHFFFAOYSA-N	421.419	3.781	10	20	HHCD	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc2c(c1)-c1ccccc1C2	919839384	IQISKONNAGZKKB-UHFFFAOYSA-N	418.518	3.745	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1sccc1Br	919969243	RMFQDMFRWRGIFG-UHFFFAOYSA-N	409.349	3.649	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CN2CCCC2=O)c(C)n1-c1cccc(Br)c1	920292922	NEBSGEVPKWSXLE-CYBMUJFWSA-N	418.335	3.597	10	20	HHCD	
CC(C)CN1C(=O)/C(=C/N[C@H](C)c2cc(F)c(Cl)cc2Cl)C(=O)NC1=S	920980336	JFLAEQFRYJATEF-VKRGWIQLSA-N	418.321	3.566	10	20	HHCD	
CCN(CC)CCOc1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1	1251956192	PLISYTLIMKQDHX-UHFFFAOYSA-N	414.569	3.910	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(C(N)=O)cc4)C3=O)cc2)cn1	1256381555	GUFKXRHXKKLUCL-VCHYOVAHSA-N	420.519	3.592	10	20	HHCD	
C[S@@](=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	1318964410	QYYDSGIERSMUOA-GDLZYMKVSA-N	423.485	3.816	10	20	HHCD	
CN1CCN(c2ccc(CNCCCC(=O)Nc3ccc(Cl)cc3)cc2F)CC1	1322602575	WQBIIMQAFNHYPT-UHFFFAOYSA-N	418.944	3.739	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCC(=O)N1CCN(c2ccc(F)cc2)CC1	1337786816	YWBSTHVIIQNEEE-XLIONFOSSA-N	411.521	3.717	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(-c2ccccc2)cc1	1342433675	BKOALHNLZIPOCP-NRFANRHFSA-N	419.477	3.598	10	20	HHCD	
O=C(N[C@@H]1COc2c(F)cc(F)cc2C1)N(Cc1ccco1)Cc1ccccc1O	1349217315	DADLSAPERNSLMZ-KRWDZBQOSA-N	414.408	3.979	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)c(C)n1-c1ccc(Br)cc1	14365264	LRANJQRDSPKIJO-CYBMUJFWSA-N	405.292	3.681	10	20	HHCD	
Cc1cc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(C)n1-c1ccccn1	108899814	DKQWQBLFGYVNHV-UHFFFAOYSA-N	408.527	3.585	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccc(Br)c1	109412938	VXLZAERXMGHABA-UHFFFAOYSA-N	418.335	3.627	10	20	HHCD	
Cc1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)n(-c2ccccc2)n1	670923014	QCOCBPSORDYCFZ-UHFFFAOYSA-N	402.479	3.649	10	20	HHCD	
CC(C)N(Cc1cccc(F)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	726100624	GBHYLKLGXHICMM-UHFFFAOYSA-N	403.473	3.922	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	726503068	FIDXECHZNQTJAE-IAGOWNOFSA-N	422.504	3.863	10	20	HHCD	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)cc1OC	726986230	ZPOXEPBJAAUKMX-MHWRWJLKSA-N	402.497	3.903	10	20	HHCD	
Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1	727248354	BPXQKTZJLOIALI-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1	728120018	BYVOBNWEXQXQHZ-UHFFFAOYSA-N	400.498	3.830	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1	728395835	ZNKOKRIBNUBOEV-UHFFFAOYSA-N	415.490	3.960	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3ccc(Cl)s3)cc2F)CC1	730117896	QJBAEDJUGWHZOC-UHFFFAOYSA-N	410.946	3.682	10	20	HHCD	
COc1ccccc1C[C@H](C)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	730590699	SINXLOGQBPVVQF-IBGZPJMESA-N	410.558	3.789	10	20	HHCD	
CSc1nc(C)c(CCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(O)n1	731017305	UVZMEUIXXXOFGL-UHFFFAOYSA-N	414.575	3.698	10	20	HHCD	
COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1OC	731038483	HNSYOQPNCUZXQD-UHFFFAOYSA-N	418.559	3.727	10	20	HHCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1	732354898	VSKPQAYIZAHZPP-NSHDSACASA-N	416.480	3.952	10	20	HHCD	
Cc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1	732885354	AHCVOQQMUORKLG-OFNKIYASSA-N	420.557	3.647	10	20	HHCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1	740705785	MNZUNILSXBKPFM-UHFFFAOYSA-N	407.385	3.918	10	20	HHCD	
CCN(C)c1ccc(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1	741754298	NHQZOPBOQGHPPY-QHCPKHFHSA-N	407.606	3.572	10	20	HHCD	
Cc1cccc(CS(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742335251	ZJSJQHSLJDMELP-KRWDZBQOSA-N	410.486	3.685	10	20	HHCD	
Cc1cc2c(cc1C)O[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C2	742602827	ZQJGYXFRQMRGJG-VWNXMTODSA-N	408.542	3.881	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=S)Nc3cccc(Cl)c3C)CC2)cc1	742910662	LSJROKZADUAQIW-UHFFFAOYSA-N	418.994	3.766	10	20	HHCD	
CCC(CC)c1cc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)on1	743656921	VPUHMORECUIBTF-UHFFFAOYSA-N	418.513	3.678	10	20	HHCD	
CCN(CC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1)C(=O)OC(C)(C)C	744451570	BMLYLIZFZZADQZ-UHFFFAOYSA-N	418.582	3.931	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC[C@@H](N2CCCCC2)C1	745904988	VZIBSAHNRUPTMX-IEBWSBKVSA-N	422.520	3.527	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(OCC(F)F)cc1	748620768	ZYFNRHSZKXBFNR-UHFFFAOYSA-N	409.408	3.628	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	749573765	IDBSNBWLGJPDJT-HYBUGGRVSA-N	404.558	3.773	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	751386477	GHCWHGGJQDSGFY-AOMKIAJQSA-N	411.521	3.508	10	20	HHCD	
C[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1F	752026154	KQXPADWYIYRFRK-AWEZNQCLSA-N	406.448	3.875	10	20	HHCD	
CCc1ccc(-c2noc([C@@H](C)NCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2)cc1	755161615	IESFGBJFILEPPC-QGZVFWFLSA-N	421.545	3.674	10	20	HHCD	
COc1ccc(C(F)(F)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	755579485	RVLZSSXMUPXHRJ-HUUCEWRRSA-N	422.447	3.856	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)cc1	755921252	OBQPTBSMNWOUBE-UHFFFAOYSA-N	406.534	3.848	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ncc(Cc2ccccc2)s1	756074834	AAOPZSZSZSRLOT-UHFFFAOYSA-N	422.554	3.787	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1cccc(F)c1)c1cc(Br)cc(F)c1O	756459541	OYIFMGCFVQRBQA-GXFFZTMASA-N	402.235	3.523	10	20	HHCD	
C[C@H](NC1CCN([C@H]2CCC[C@H]2O)CC1)c1cc(Br)cc(Cl)c1O	756763891	AYYYNOHXVFRUFP-MZPVMMEZSA-N	417.775	3.837	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1F	757852134	VXFGBVFVVOZQJQ-LJQANCHMSA-N	414.477	3.796	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)cc(OC)c1OC	760123632	KQPYHFLKQLEDCG-OKZBNKHCSA-N	417.550	3.513	10	20	HHCD	
CC1CCN([C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C(C)C)CC1	761003884	JUXUEVBLVVJLHS-GOSISDBHSA-N	407.942	3.566	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761152366	ZACBLRXFQWXCDF-HUUCEWRRSA-N	407.942	3.566	10	20	HHCD	
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C1	761627633	RSUOHKOIYGGCIB-HOTGVXAUSA-N	411.502	3.580	10	20	HHCD	
CCc1nc2c(s1)[C@@H](NCCN1CCN(c3ccc(OC)cc3)CC1)CCC2	765403220	UCUCKZFZUYBHRG-IBGZPJMESA-N	400.592	3.503	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@H](C)c3cnn(-c4ccccc4)c3C)CC2)cc1	765403889	WTPBMWKDUGQVOZ-HXUWFJFHSA-N	419.573	3.662	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ncccc3C(F)(F)F)SC2=S)cc1	765511259	MRKDCIHJFZTBGL-MDWZMJQESA-N	409.414	3.605	10	20	HHCD	
O=C(NCc1csc(-c2ccco2)n1)NCc1cccc(Br)c1O	765533775	IHZQYIXKMRIGNA-UHFFFAOYSA-N	408.277	3.871	10	20	HHCD	
COc1ccc(C(=O)CCCC(=O)NCc2cccc(Br)c2O)cc1	765728543	VILSQNKPYSZFIS-UHFFFAOYSA-N	406.276	3.833	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCNC(=O)c2cccnc2)cc1	772060105	XSDVEDNRWGJWNC-UHFFFAOYSA-N	416.485	3.723	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cccc(OCCOC)c1	772460959	BJHUENYCXQAWQW-UHFFFAOYSA-N	422.319	3.771	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c1O	774881862	YHHCPFQBCLSEOA-HSZRJFAPSA-N	411.502	3.797	10	20	HHCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1	775286804	OFNIPGXEORIIJK-UHFFFAOYSA-N	413.451	3.559	10	20	HHCD	
CO[C@@H](c1ccccc1Cl)[C@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	778244558	LRCIOTAAWKDAKE-KSFYIVLOSA-N	403.954	3.730	10	20	HHCD	
O=C(Cc1cccc(OCCCOc2ccccc2)c1)NCc1ccc(O)c(O)c1	778927115	KGLBANNNRQWJAR-UHFFFAOYSA-N	407.466	3.805	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)cc2Cl)c1	782106336	BFRYPHRSWRTUDG-LBPRGKRZSA-N	406.866	3.657	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1	785437056	ZNNWOMBJMKSCAC-UHFFFAOYSA-N	411.527	3.621	10	20	HHCD	
Cc1cc(C)c2cccc(OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2n1	792735505	YVYDXGNBTZDZIG-UHFFFAOYSA-N	423.488	3.523	10	20	HHCD	
C/C(=C/Cl)CSCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	797809746	LENBIXOBEUFUMC-BABFWUTDSA-N	400.947	3.931	10	20	HHCD	
CC[C@@H](NCC(=O)NCCc1ccccc1OC)c1cc(Br)ccc1O	798002094	XCKQRDNNWYEJGS-QGZVFWFLSA-N	421.335	3.563	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc(Br)c1F	799124085	OTNAMHSACHDKMM-UHFFFAOYSA-N	404.257	3.882	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CCCn3ccccc3=O)cc2Cl)C1	800048687	AOCYLTGEQRTIPT-QGZVFWFLSA-N	401.938	3.835	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(F)c1	800728296	JHVNWOOKCRIILM-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1	801549565	QXLUVXYAXKSXQH-UHFFFAOYSA-N	411.470	3.972	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O	801594878	BRULIMHVQUZLFO-QGZVFWFLSA-N	402.516	3.648	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(=O)OC)ccc1Cl	802610314	ZZNZEQOPYULITD-UHFFFAOYSA-N	418.877	3.600	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)cc1	806743063	JMRSIYIIFHCIGU-UHFFFAOYSA-N	412.465	3.647	10	20	HHCD	
CCC(CC)c1cc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)on1	807628741	BNQGLXCGNIVVRA-UHFFFAOYSA-N	414.550	3.698	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1	807677529	PYAQLGATMWITLD-AWEZNQCLSA-N	407.436	3.607	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)c(OC)cc2Cl)cc1	808920858	IHZMEBOSQCNLPC-UHFFFAOYSA-N	403.910	3.758	10	20	HHCD	
Cc1cc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C)c(C)n1-c1ccccc1	809814846	DDQGQGSQRIUDNK-UHFFFAOYSA-N	420.561	3.584	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nc([C@H](C)OC)ns1	809929564	UQXGQLNTJGOAGR-VIFPVBQESA-N	415.313	3.768	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CSC(c3ccccc3O)=N2)cc1F	816922013	ORATXDAQKXOPAP-KRWDZBQOSA-N	401.507	3.556	10	20	HHCD	
C[C@@H](OCCc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857473041	RWAMKADHKSOACP-DYESRHJHSA-N	416.949	3.774	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCOc1ccc(F)c(Cl)c1	915623368	KGMIIRISVVCDHE-UHFFFAOYSA-N	406.885	3.743	10	20	HHCD	
O=C(NCCc1ccc(OC(F)F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	915925826	YYUIRAXIFAQZSW-LJQANCHMSA-N	420.456	3.927	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1OC	918196428	ULXCNACSVRYSPR-UHFFFAOYSA-N	412.464	3.977	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1c1ccsc1	918220355	BTHWYBXSYYRVSI-LJQANCHMSA-N	403.523	3.895	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c3c(cccc13)CC2	918306514	ABWIYHNKIQYTTA-UHFFFAOYSA-N	401.510	3.992	10	20	HHCD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970659	RRSJKWQBBHYMJQ-HNNXBMFYSA-N	420.912	3.832	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCC(=O)N3CCCc4ccccc43)c2C)cc1	919994387	VAHLXAFXCHIIHL-UHFFFAOYSA-N	417.509	3.812	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)OC[C@H]2CCCCO2)c(C)n1-c1cccc(F)c1	921221124	DVRUWXHJHGIRCG-FXAWDEMLSA-N	417.477	3.933	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1	27154625	SVLSLJQMHBSOFS-QHCPKHFHSA-N	401.510	3.882	10	20	HHCD	
CCN(C(C)=O)c1nc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1	236844844	HXWWEVCFXYZSLL-HNNXBMFYSA-N	424.517	3.876	10	20	HHCD	
COc1ccc(N2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1F	301547775	FOCMVXSASFAKAV-UHFFFAOYSA-N	423.448	3.835	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(C)Cc2ccc(F)c(Cl)c2)n(C)c2ccccc12	582141722	DEFUNJAWZASHTO-UHFFFAOYSA-N	401.869	3.554	10	20	HHCD	
COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c1O	727762659	SRRDHJHDTFTHDV-MRXNPFEDSA-N	423.296	3.629	10	20	HHCD	
CCCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1ccccc1O	727831091	HRRODVWDMPVCAK-HXUWFJFHSA-N	410.514	3.739	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2CCN(Cc3cccs3)CC2)c1	728953476	ZEDKJULUBFQBLM-HNNXBMFYSA-N	403.548	3.735	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1C	729580232	MYEUPNPHWFNKCT-UHFFFAOYSA-N	422.526	3.674	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3n[nH]c(C(C)C)c3Br)CC2)cc1	730284595	XBMGVMJEVXBHQT-UHFFFAOYSA-N	421.339	3.703	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3OC(C)C)cc2)CC1	731131596	OMRBQCMKWQANPL-UHFFFAOYSA-N	409.530	3.965	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(-c2cc[nH]n2)cc1	731899085	HTNQCQJSLQTIAK-UHFFFAOYSA-N	405.502	3.607	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1	734482754	UIFAZTMJLATFCU-UHFFFAOYSA-N	404.580	3.876	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)cc1F	742405908	QULRDEHQNFMXGK-UHFFFAOYSA-N	419.444	3.950	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)C2CCSCC2)NC(=O)OC(C)(C)C)cc1	742751707	WFBJRAYVLZUBQO-SFHVURJKSA-N	407.580	3.578	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)n2)NC(=O)OC(C)(C)C)cc1	742752167	ZHEJHVCHKQDWLW-QGZVFWFLSA-N	418.925	3.797	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3C[C@H](C)C[C@H]3c3cccc(F)c3)CC2)cc1	743854825	OAANTFPCSMLJHS-JPYJTQIMSA-N	411.521	3.566	10	20	HHCD	
Cc1noc(C)c1CN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	745983258	JFALQQASKUADMW-AWEZNQCLSA-N	417.465	3.526	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(-c3nccn3C)c2)cc1	749628310	JCHWBFVGRRXJQJ-UHFFFAOYSA-N	419.529	3.530	10	20	HHCD	
CN1CC[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc21	750770402	BSUJJZOLKXPNOG-HXUWFJFHSA-N	415.484	3.997	10	20	HHCD	
Cc1cc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c(C)n1-c1ccccn1	752324221	MCPQKALZUIUBFB-CRAIPNDOSA-N	412.534	3.864	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(F)c(OC)cc3OC)CC2)cc1	755831798	KFIUCOUKCRQLGH-UHFFFAOYSA-N	403.454	3.596	10	20	HHCD	
COCC(=O)Nc1cccc(CN[C@H](C)c2cc(Br)c(F)cc2O)c1	756381107	WYXCNVWJVFYWJK-LLVKDONJSA-N	411.271	3.730	10	20	HHCD	
C[C@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1cc2c(cc1O)CCCC2	756434975	SFDGQCYZWFTHNX-KRWDZBQOSA-N	408.542	3.822	10	20	HHCD	
C[C@@H]1C[C@@H](NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2c(O)ccc(F)c21	756732165	HLGUCJGSZUPNFD-DNVCBOLYSA-N	418.534	3.664	10	20	HHCD	
C[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(Br)cc(Cl)c1O	756738701	KMALZHNCBJVEKC-MVWJERBFSA-N	410.761	3.815	10	20	HHCD	
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCSc1nccs1	759603084	QKSYAYVIGFASGS-GOSISDBHSA-N	419.620	3.716	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccn3ccnc3c2)cc1	762401671	MLQYFTMPJLOENX-UHFFFAOYSA-N	403.486	3.905	10	20	HHCD	
Fc1cc(CN[C@@H]2CCc3ccccc32)ccc1N1CCN(c2ncccn2)CC1	765281964	QWEUKTUPKSWONT-JOCHJYFZSA-N	403.505	3.719	10	20	HHCD	
COc1cc(OC)c(CCN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(OC)c1	765869740	HTJSHKZLQWZUQL-MRXNPFEDSA-N	418.509	3.581	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Br)sc1Cl	766048592	UNCMFFPKHBIRBA-UHFFFAOYSA-N	410.698	3.873	10	20	HHCD	
O=C(Nc1cccnc1OCC(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1	766501432	ILYMNDQJTLFNIC-OAHLLOKOSA-N	407.417	3.644	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768915562	LRGAMOKWZLIECR-INIZCTEOSA-N	403.866	3.657	10	20	HHCD	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1	772589134	FEFIAIOYHIYVMJ-JOCHJYFZSA-N	413.587	3.723	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1F	773004709	MLFQHVJTBPTTCX-WIYYLYMNSA-N	402.558	3.830	10	20	HHCD	
Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc12	773763317	SPIMVWBFDLVLFA-CQSZACIVSA-N	402.454	3.501	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)c1ccc(N(C)C)cc1	773843704	AHRLGRJYCOEXON-NSHDSACASA-N	424.726	3.984	10	20	HHCD	
CC(C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1	775260300	OJNPYNQDMPPXHY-MHECFPHRSA-N	413.537	3.826	10	20	HHCD	
COc1cc(O)c(CN[C@H](C)c2cc3c(cc2Br)OCCO3)cc1OC	776033763	LPHKFPFQOOJMAZ-LLVKDONJSA-N	424.291	3.794	10	20	HHCD	
CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2ccncc2)no1	776132768	TWLTXVHFMASPII-HNAYVOBHSA-N	408.506	3.955	10	20	HHCD	
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	779387443	GSNNXTVFWSUVRB-INIZCTEOSA-N	404.555	3.730	10	20	HHCD	
Cc1ccc(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)c(O)c1O	780942792	DLCBFPQAPJNQFE-UHFFFAOYSA-N	421.169	3.757	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OC(C)C	786029032	CITNVLBCUYGOOV-LJQANCHMSA-N	424.545	3.806	10	20	HHCD	
Cc1cc(C)c(N2CC[C@H](N(C)Cc3ccc(N4CCOCC4)cc3)C2=O)c(C)c1	789307528	ZMYQTNKEXSRFCF-QHCPKHFHSA-N	407.558	3.686	10	20	HHCD	
COC(=O)C[C@](C)(NCc1ccc(OCc2ccccc2)cc1O)c1ccncc1	789554182	HWXRRHKPZLUWTH-DEOSSOPVSA-N	406.482	3.934	10	20	HHCD	
O=C1C[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc21	789643950	NZTSDPIXNHCAIH-LJQANCHMSA-N	400.425	3.743	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@H]1CCC2(CCCCC2)O1	790231256	MINRPFJELLRVDH-QFIPXVFZSA-N	415.578	3.576	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NOC/C=C/Cl	794296804	OQIZBPDWFGLEBN-XIEOCDCISA-N	402.950	3.530	10	20	HHCD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(N(C)C)cc1	796392875	WDHQTQHWZLSZFG-UHFFFAOYSA-N	403.548	3.548	10	20	HHCD	
COc1ccc(CS(C)(=O)=O)cc1N[C@@H](C)c1ccc(Br)cc1O	797038812	STAHGXMNRZWUCF-NSHDSACASA-N	414.321	3.881	10	20	HHCD	
Cc1cc(C(=O)NCC2(S(C)(=O)=O)CCCC2)c(C)n1-c1cccc(Cl)c1	804699618	UNBLHLGJTMKAHH-UHFFFAOYSA-N	408.951	3.835	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2ccc(OC)cc2O)c(C)cc1Br	806739498	GZOYFSSTVJMASR-UHFFFAOYSA-N	423.263	3.580	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(Cc2ccccc2)cs1	807006908	VKCZWHMXEZDKEG-UHFFFAOYSA-N	409.511	3.817	10	20	HHCD	
CCC[C@@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807291264	VKRUZVCMDHZFKP-QFIPXVFZSA-N	405.542	3.597	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c(Cl)cc1F	807386949	RNZXADJDVMKUBU-UHFFFAOYSA-N	415.646	3.511	10	20	HHCD	
COc1ccc(C)cc1-n1c(SCC(=O)C(C)=O)nc2cc(Cl)ccc2c1=O	808012964	VOMUBHGNAYEFHL-UHFFFAOYSA-N	416.886	3.606	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCCC(=O)N2CCN(c3ccccc3)CC2)c1O	808686916	JDADPJRVCOCKJU-QGZVFWFLSA-N	401.938	3.744	10	20	HHCD	
COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1	811704242	YKUTUPRIEVWEFE-UHFFFAOYSA-N	407.488	3.521	10	20	HHCD	
Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(S(N)(=O)=O)c3cccnc23)CC1	811822898	OCFZYPFZUMIWNF-UHFFFAOYSA-N	418.522	3.966	10	20	HHCD	
COCC[C@@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	812744158	CKPBFEKRWGSHBG-GOSISDBHSA-N	421.335	3.734	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)[C@@H]3CC(C)(C)OC3=O)cc2Cl)C1	813744189	CLWCNEUPSJCTNH-RDTXWAMCSA-N	407.942	3.812	10	20	HHCD	
COC(=O)CCC[C@H]1CCC[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1	815121252	YJDPTFJRQHUKOJ-KNQAVFIVSA-N	402.579	3.887	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(F)c3Br)CC2)cc1F	815773030	ADQIZIPDYXPDQW-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
CCc1ccccc1NNC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C	915121710	FBTUIEBHGHBTBH-UHFFFAOYSA-N	420.604	3.901	10	20	HHCD	
COc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OC)cc1Cl	915313123	FQYAQFQTZJIZDT-UHFFFAOYSA-N	419.909	3.858	10	20	HHCD	
Cc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	916375731	OHUUSYOJEIQBTG-UHFFFAOYSA-N	407.436	3.850	10	20	HHCD	
COc1ccc(F)cc1[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	916591286	XLJORVHQWSDBJY-HNNXBMFYSA-N	403.523	3.948	10	20	HHCD	
CCNC(=O)COc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	916677846	PUXBZWHIUZCUGR-UHFFFAOYSA-N	423.469	3.734	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN(C3CCCCC3)C3CC3)cc2F)C[C@@H](C)O1	917055599	DOZJWTOKGCYMOH-QZTJIDSGSA-N	417.569	3.853	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC[C@@H]1Cc2ccccc21	918073741	JBQIHBHKIBIOSN-KRWDZBQOSA-N	419.447	3.681	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)cc2F)C[C@H](C)O1	918138083	ISLDSVZDPDJNOG-HOTGVXAUSA-N	408.477	3.759	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)sc2c1CCCCC2	1321694025	RITLPPIYAQJEQM-HNNXBMFYSA-N	412.511	3.892	10	20	HHCD	
CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1c(Cl)ccc2nonc12	1323708154	WUGANTUAISVTHR-GFCCVEGCSA-N	413.286	3.984	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(NC(=O)NC(C)C)c3)CC2)cc1	1324299626	XKLUWTHDUCKSEL-UHFFFAOYSA-N	410.518	3.578	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2nccs2)NC(=O)OC(C)(C)C)cc1	1346279228	ZRBPIEXOHYOVIM-QXPKXGMISA-N	416.547	3.605	10	20	HHCD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)c[nH]1	1843554099	QHILMZZOSJDQOV-UHFFFAOYSA-N	416.525	3.861	10	20	HHCD	
Cc1cc(CCNC(=O)CCn2cnc3sccc3c2=O)c(C)n1-c1ccccc1	10341533	BYUHWFWHHYGHNI-UHFFFAOYSA-N	420.538	3.615	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(Cn3cncn3)cc2)c(C)n1-c1ccccc1	10655360	YOLOPMRXWWVFLE-UHFFFAOYSA-N	414.465	3.774	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1	15135000	YNTVZQWVOOMQDY-UHFFFAOYSA-N	406.452	3.699	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O)O[C@@H](C)C2	207708285	NRLWQZYIPJJSNJ-OOIIIRTPSA-N	421.540	3.865	10	20	HHCD	
CN(C)c1ccc(CNC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)cc1F	217169368	QWRZMPLNBSPDFC-XSFVSMFZSA-N	407.445	3.572	10	20	HHCD	
CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccc(N(C)C)cc2)CC1	237233553	PIKHMRPHYNLZHT-UHFFFAOYSA-N	406.496	3.813	10	20	HHCD	
C[C@@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1	237431535	ACFAJMSRMRUYLM-MOPGFXCFSA-N	403.567	3.821	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1F	303747023	ASSLGCLKFIXFHF-SJLPKXTDSA-N	407.530	3.982	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)n(C)c2ccccc12	472235494	AQBUGXFUPDGYGP-UHFFFAOYSA-N	422.504	3.730	10	20	HHCD	
COc1cc(Br)cc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)c1O	725848197	NPRNUVMILVYDTM-GFCCVEGCSA-N	421.291	3.971	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)NCc3ccc(N4CCCC4)cc3)cc2)n1	727841852	JLWPKPPILCBHAC-UHFFFAOYSA-N	419.529	3.941	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1	728762176	XLSSQNQNVQUZNZ-UHFFFAOYSA-N	412.392	3.504	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)c1	729064015	NNCRUQFDDCCIBD-SNVBAGLBSA-N	414.405	3.829	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCCC(=O)N2CCc3ccccc32)cc1	732241914	SCEHJSNTUJHWJO-UHFFFAOYSA-N	408.546	3.702	10	20	HHCD	
C[C@@H](NC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)c1ccc(N2CCOCC2)cc1	732277511	NXSUFEKEVXIQAY-IIBYNOLFSA-N	401.938	3.657	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	733880487	LHXRXEMPLHKDBY-OAHLLOKOSA-N	423.991	3.947	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1	734067511	LMNQKNYLAWZKHM-UHFFFAOYSA-N	410.430	3.637	10	20	HHCD	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	736653797	UIPJKSXCRGZYDU-LPHOPBHVSA-N	415.484	3.889	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)n1	737380860	WEHWOJBPAKFZTQ-UHFFFAOYSA-N	417.512	3.886	10	20	HHCD	
CCOc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c(O)c1	742378433	IIGVINHWXPGAJB-SFHVURJKSA-N	406.429	3.678	10	20	HHCD	
COc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cc(OC)c1Br	743717572	SUCJZJXFVLIFMG-UHFFFAOYSA-N	420.303	3.981	10	20	HHCD	
CC(C)n1cc2cc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc2n1	747547354	IZXBZVNVSWYGBD-UHFFFAOYSA-N	411.481	3.915	10	20	HHCD	
CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccs1	754548450	OAZPVTMPMQRNLL-LJQANCHMSA-N	418.474	3.730	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnc(Cc2ccccc2)s1	755386053	VIJZPAFQRJOGKZ-UHFFFAOYSA-N	421.566	3.873	10	20	HHCD	
C[C@H](NCc1ccccc1N1CCOCC1)c1cc(Br)c(F)cc1O	756483882	YSLOZUKFWAUVSL-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@@H]3CCCc4c(Cl)cccc43)cc2)CC1	756577061	XRHGDXJQROLKHM-OAQYLSRUSA-N	404.963	3.742	10	20	HHCD	
C[C@@H](NC1CCN(C[C@@H]2CCOC2)CC1)c1cc(Br)cc(Cl)c1O	756584989	ICXBTBKGPITFTB-OLZOCXBDSA-N	417.775	3.960	10	20	HHCD	
Oc1c(Br)cccc1CNC[C@@H]1CSCCN1Cc1ccccc1	758493203	ICDLQIHLLGRFOP-QGZVFWFLSA-N	407.377	3.862	10	20	HHCD	
COc1ccc(N2CCC(N3C(=O)N[C@H](c4ccc(Cl)c(F)c4)C3=O)CC2)cc1	761220136	BVGNHRYQWZFJOF-LJQANCHMSA-N	417.868	3.750	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1noc(-c2ccccc2)n1	761649238	QVQMLHFDZUKXCV-SJORKVTESA-N	421.501	3.695	10	20	HHCD	
Cc1c(Cl)cc(F)c(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1F	761963149	UHCNCYYVJXKEFT-UHFFFAOYSA-N	405.832	3.558	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)c1	761980993	DUXJLEROFDKXDV-OAHLLOKOSA-N	412.515	3.568	10	20	HHCD	
C[C@@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(N2CCOCC2)cc1	765332469	YHVJCZLFUSZIBG-HXUWFJFHSA-N	408.590	3.909	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2Cl)cc1C	765637778	SPQUDCVACIDYPU-UHFFFAOYSA-N	402.925	3.519	10	20	HHCD	
CCOC(=O)C(C)(C)n1cc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cn1	766143111	QZZHXOPGNMYJQF-UHFFFAOYSA-N	424.501	3.850	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nnn1Cc1ccc(F)cc1	767896968	UNOLWQUVBSLCQX-UHFFFAOYSA-N	421.520	3.940	10	20	HHCD	
CCN(CC)c1ccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1	769140132	BWAJSSFPQKWQIG-UHFFFAOYSA-N	411.546	3.508	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1CCC(C(F)(F)F)CC1	769431694	BJZXKXJEQXQJRK-UHFFFAOYSA-N	400.441	3.623	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN(C(=O)Nc2ccccc2)C1	769561930	GZZSWEMVCUNNIV-SFHVURJKSA-N	407.514	3.831	10	20	HHCD	
COc1ccc(Br)c(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773085527	XGLKBVRGAHIYCJ-GFCCVEGCSA-N	413.337	3.563	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H](N[C@@H](C)c1ccc(N3CCOCC3)cc1Cl)C2	773139055	MPFHGDZJBOTRMQ-RDJZCZTQSA-N	402.922	3.840	10	20	HHCD	
C[C@H](NC(=O)N1CCC(C(=O)NC2CCCCC2)CC1)c1ccc(N(C)C)cc1	773623304	GZWWAKSEMWLKGP-KRWDZBQOSA-N	400.567	3.684	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C)c1ccc(N(C)C)cc1	773630494	UIQITQXQUAIHLX-XYJFISCASA-N	404.555	3.901	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	775254508	JQBBSNUCMUEALX-YADARESESA-N	406.526	3.767	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(Br)ncc3C)CC2)cc1	776044634	DZMIXJCZBQQUEG-UHFFFAOYSA-N	419.323	3.952	10	20	HHCD	
O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1	776750712	KAVNLPGVTWTQCA-UHFFFAOYSA-N	407.629	3.517	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)cc1	778625908	CHBLTJJGKOSSJW-IIBYNOLFSA-N	413.493	3.936	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)[C@@H]1CCN(Cc2ccccc2)C1	779364734	QJMDYIGDJUQWPL-SJLPKXTDSA-N	404.605	3.835	10	20	HHCD	
COc1ccc(-n2cc(O)c(C(=O)N(Cc3ccco3)Cc3ccccc3O)n2)cc1	779531888	KZBXQLKUMSBTFS-UHFFFAOYSA-N	419.437	3.728	10	20	HHCD	
COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCS2	786578928	LAQQZIVVMZJFIF-UWJYYQICSA-N	411.571	3.724	10	20	HHCD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)s1	788221011	ZOJOFWNAOHMZHY-UHFFFAOYSA-N	414.921	3.679	10	20	HHCD	
Cc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(N(C)C)c(F)c1	793280649	KLKABOJDNPGOIH-UHFFFAOYSA-N	405.271	3.540	10	20	HHCD	
COc1ccc(CNC2CCN(Cc3ccccc3Br)CC2)c(O)c1	793388136	MWTZYSKZQVTFHN-UHFFFAOYSA-N	405.336	3.918	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](C)c2nncn2C)c(C)n1-c1ccccc1Br	797756966	HMQXZJKSGBOTFC-LBPRGKRZSA-N	416.323	3.519	10	20	HHCD	
CO[C@H](C(=O)OCC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)c1cnn(C)c1	798768570	BHMUEYGERGVCRH-QFIPXVFZSA-N	409.486	3.558	10	20	HHCD	
CC(C)N1CCN(c2cccc(NS(=O)(=O)c3cnc4ccccc4c3)c2)CC1	800929533	IVYKZYHIXFADRK-UHFFFAOYSA-N	410.543	3.566	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C	802556330	TZCRPJUEWMLFNB-UHFFFAOYSA-N	420.488	3.825	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1[C@@H](C)CC(C)C	802609864	NHZUKRBIDYXUMV-KRWDZBQOSA-N	400.523	3.963	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1F	803662816	NRGSVGVNBNFMRF-INIZCTEOSA-N	421.925	3.515	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1c(F)cncc1F	804968424	DFMPBROHVKGDNQ-MCIONIFRSA-N	422.451	3.673	10	20	HHCD	
Cc1cccc(CCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	804968934	KMWOYLYPQXQTSD-HDICACEKSA-N	414.525	3.575	10	20	HHCD	
O=S(=O)(Cc1cc(-c2ccccc2)no1)NCc1cc(Cl)cc(Cl)c1O	805135172	PBGAZBFRQKAQQU-UHFFFAOYSA-N	413.282	3.974	10	20	HHCD	
CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)NCCCSc1nccs1	806275969	BDPKLUZZAAEGLY-UHFFFAOYSA-N	411.980	3.832	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1	806326749	UYUPDXCITHYFRU-QGZVFWFLSA-N	403.567	3.994	10	20	HHCD	
Cc1ccc(C[C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1	807279190	TVLIWGPDNKAGPC-KRWDZBQOSA-N	413.587	3.753	10	20	HHCD	
Cc1cccc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1C	807286772	ABDQJRAJEWAPGQ-HSZRJFAPSA-N	403.526	3.660	10	20	HHCD	
CN(C)CCCNC(=O)CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814772334	TWXNKIGUYHRIJF-YBEGLDIGSA-N	419.597	3.673	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)C3)c1O	816621214	CDRFTRHTARXRJO-UHFFFAOYSA-N	421.494	3.532	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(-n4cccn4)cc3)SC2=S)c1	884004426	YRPFZOMXHUDCDB-GZTJUZNOSA-N	407.476	3.976	10	20	HHCD	
CC1CCN(CCCCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	916502269	QFXBGPCCAWASMT-NRFANRHFSA-N	403.567	3.595	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1N1CCCCC1	918304376	PFOYMQXDGFLLRJ-UHFFFAOYSA-N	408.546	3.730	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)COCc1ccccc1	919800089	VZDPUEYKRQNYQX-IBGZPJMESA-N	413.587	3.892	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)CCC4)C2=O)cc1	920472182	KSUXHSKHJXVIOJ-WOJGMQOQSA-N	415.561	3.985	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CC1CCN(Cc2cc(Cl)cc(F)c2O)CC1	1320058617	KEMXDFLLJXOAPF-UHFFFAOYSA-N	402.853	3.693	10	20	HHCD	
FC(F)(F)COc1cccc(CNC(=S)Nc2ccc3c(c2)OCCCO3)n1	1321295912	BGNONLAYONYLOR-UHFFFAOYSA-N	413.421	3.671	10	20	HHCD	
COc1cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)c([N+](=O)[O-])cc1OC	7699834	KGHHHMHCMOIXJL-KPKJPENVSA-N	413.455	3.945	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3c(C)nn(C)c3C)c2C)cc1F	10200095	SFXVMYSQAIVHBI-UHFFFAOYSA-N	411.477	3.861	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)NCCc3ccccc3C)sc2n1	28776036	IJACDSNQALPWSJ-HNNXBMFYSA-N	411.527	3.708	10	20	HHCD	
O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCOCC2)cc1	53752843	UXOGPGMGODORJV-UHFFFAOYSA-N	407.436	3.584	10	20	HHCD	
COc1ccc(CCCN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	65434797	STLBLYRKKCRGHI-IBGZPJMESA-N	411.546	3.867	10	20	HHCD	
O=C(CCCc1nnc(-c2ccccc2)o1)NCc1ccc(N2CCSCC2)cc1	108196721	LHNBNWGJXSPSSM-UHFFFAOYSA-N	422.554	3.929	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CSc1nnnn1C1CCCC1	248055429	OHVQSMUPJHOSTN-UHFFFAOYSA-N	414.579	3.529	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1F	303372532	SYYSDWKOTNFJIG-UHFFFAOYSA-N	411.437	3.696	10	20	HHCD	
Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1Br	327682839	OSHUXHHGZWLQDQ-UHFFFAOYSA-N	407.283	3.663	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cccc(OCCCOC)c3)SC2=S)cn1	726197792	ZRYLFNNVRRTJQA-BOPFTXTBSA-N	403.529	3.724	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c(O)c1O	727004269	QPKPCXQSGGHOJP-LJQANCHMSA-N	401.434	3.750	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S	727177256	YIIBKOMYGWQYBZ-XFFZJAGNSA-N	403.367	3.831	10	20	HHCD	
CC(C)C(=O)N1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	727952221	WJMBDFVWTOTHIH-UHFFFAOYSA-N	421.501	3.757	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1	728138163	BYVHQJKHAFNGPL-UHFFFAOYSA-N	411.399	3.946	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3ccc(CN4C(=O)CSC4=O)cc3)ccc21	730381238	GGCNNNPOBGZUDH-UHFFFAOYSA-N	424.526	3.586	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1	734016034	GVZMXILCNLNTNK-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
Cc1cc(C)c(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(Cl)c1	738884170	CZIVMXYLBRIQKW-UHFFFAOYSA-N	421.950	3.513	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)nc1-c1ccccc1	741137555	WFCJNQKXRSPBFL-UHFFFAOYSA-N	415.496	3.876	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1	741181345	UYBOOTRQTQTNGE-FQEVSTJZSA-N	402.583	3.617	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCc3c[nH]nc3C2)cc1	742658950	HAZRWPITICIFLN-GOSISDBHSA-N	404.514	3.823	10	20	HHCD	
Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801723	SEXLOBWBVVGCEE-BBRMVZONSA-N	406.477	3.527	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1	743658854	AYCJYRTVPUGRSY-RLFYNMQTSA-N	421.538	3.845	10	20	HHCD	
CNC(=O)CC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1	746385051	LYFQUXKKDVVZFX-UHFFFAOYSA-N	420.509	3.822	10	20	HHCD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	747410019	RHXSYNNURKAIRD-WLENULPWSA-N	418.484	3.928	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCOc1ncccc1C(F)(F)F	747446925	MYCHBCSLRYYOPJ-UHFFFAOYSA-N	410.440	3.777	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2F)cc1	751403760	FBBLAKSUXVKGNJ-SFHVURJKSA-N	401.438	3.621	10	20	HHCD	
O=C(CSc1ccccc1C(=O)N1CCS[C@@H]2CCCC[C@H]21)N1CCCC1	752487205	POCZYSSYVUBBLD-IEBWSBKVSA-N	404.601	3.901	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cc4ccccc4o3)cc2F)C[C@@H](C)O1	754038203	LVULJSPGQBLPMK-HUUCEWRRSA-N	418.490	3.664	10	20	HHCD	
CC[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCCO1	756105616	SVANIVJPBYPHEO-SKAWWZKSSA-N	424.613	3.803	10	20	HHCD	
COCC(=O)Nc1cccc(CN[C@H](C)c2cc(Br)cc(F)c2O)c1	756381062	WPWQSUHIIXEPNH-LLVKDONJSA-N	411.271	3.730	10	20	HHCD	
Cc1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1	756430783	LDOPDZPHQGTDTP-MSOLQXFVSA-N	402.560	3.972	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Br)c(F)cc1O	756543559	QIZPKYXSKDYCJI-NXEZZACHSA-N	420.225	3.663	10	20	HHCD	
COc1ccc(N[C@@H](C)c2cc(Br)ccc2O)cc1-n1nnnc1C	757600119	ZTUIKWBNCHQOTK-JTQLQIEISA-N	404.268	3.621	10	20	HHCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1NC(=O)OC(C)(C)C	757634764	MSFGDYWXNVEQTB-AEFFLSMTSA-N	422.545	3.727	10	20	HHCD	
COc1ccccc1-n1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cn1	758161287	BEPQJRNEDWIRNF-UHFFFAOYSA-N	414.270	3.694	10	20	HHCD	
O=C(NCCC[C@@H]1CCCCO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	760707908	GSYQRWGESMYQQQ-WMZOPIPTSA-N	411.493	3.905	10	20	HHCD	
Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	760902237	VXIYBWCRLPGPLG-UHFFFAOYSA-N	412.493	3.688	10	20	HHCD	
CS(=O)(=O)C1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	760933157	JWYWHWJTMRVNGR-UHFFFAOYSA-N	400.504	3.550	10	20	HHCD	
O=C(NCCOc1ccc(Cl)cn1)N(Cc1ccco1)Cc1ccccc1O	761778138	GKNGQIXCEWAFEX-UHFFFAOYSA-N	401.850	3.824	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCOc2c(F)cccc21	762297990	UVSCKARMUWYLOR-INIZCTEOSA-N	404.825	3.863	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1OC(F)F	765251720	HNINPOZZGOSBHM-NVXWUHKLSA-N	403.473	3.841	10	20	HHCD	
COCOc1ccc(OC)cc1CN[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	766469839	NABGBVYYKXMGAL-IBGZPJMESA-N	420.937	3.791	10	20	HHCD	
CN(C)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Br)cc1	767079913	HMKTWSYAYUWSCT-UHFFFAOYSA-N	417.756	3.788	10	20	HHCD	
COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	768198196	XUNUONSTLQQBPL-OAHLLOKOSA-N	405.450	3.912	10	20	HHCD	
O=C(c1csc(-c2ncccc2F)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	768402101	OKTPBYKGFGPIRW-OAHLLOKOSA-N	413.474	3.871	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c[nH]nc1-c1ccccc1F	769382225	VTKQVHBFVXVDSF-UHFFFAOYSA-N	403.841	3.750	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(O)c1	769905752	XRWJVSRCXUMGQJ-LSDHHAIUSA-N	414.461	3.845	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N2CCOCC2)c(F)c1	770383968	YLKPFMXASHJQIM-WMZOPIPTSA-N	407.530	3.540	10	20	HHCD	
CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1	774356114	HYHFJIREQGUYGD-UHFFFAOYSA-N	408.907	3.549	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccc(OC(F)F)cn3)cc2)CC1	774850776	SPYOTJVAMIXRQP-UHFFFAOYSA-N	404.461	3.919	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1Oc1ccccc1	776116470	CHOUCFLTRVXMFV-ZLNRFVROSA-N	409.530	3.711	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(N4CCC(N(C)C)CC4)cn3)CC2)cc1	777201616	FRIQQLGTPOIQQK-UHFFFAOYSA-N	409.578	3.702	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1	777666627	IUDAKGPGCGDDNQ-UHFFFAOYSA-N	407.448	3.928	10	20	HHCD	
Cc1cccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1F	779817661	LROPOSBHAAEYJC-IYBDPMFKSA-N	404.457	3.582	10	20	HHCD	
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c1	782261628	QTYATEHPMONBFW-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)cc1	784105712	HSQWFJRYXSLQQM-UHFFFAOYSA-N	410.522	3.527	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCC2CCOCC2)cc1	789838460	DNDXNOXHFUFGCB-HNNXBMFYSA-N	400.475	3.656	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Br)ccc1OCC	790410019	YJTZZWONQDCCGL-UHFFFAOYSA-N	416.293	3.753	10	20	HHCD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	790947127	READFFASQAMHJO-INIZCTEOSA-N	414.531	3.576	10	20	HHCD	
Cc1ccc(Br)cc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1	795775822	YBOQUEKLYRKZEN-UHFFFAOYSA-N	424.276	3.552	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@@]2(CCCOC2)O1	796532045	RYZKLABALHHNPE-NTKDMRAZSA-N	415.578	3.935	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)c(O)c1	797389576	ONBPMMQHCNREMA-UHFFFAOYSA-N	400.500	3.690	10	20	HHCD	
CCCCN(Cc1nc(N)nc(Nc2ccccc2OC)n1)Cc1ccccc1O	801595426	AXHDICWMUBDACY-UHFFFAOYSA-N	408.506	3.714	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2ccncc2)cc1)C1CCCCC1	803676900	VHDXFHPNJXONTQ-QHCPKHFHSA-N	420.557	3.830	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1	804750891	NMIGXWHZIZGXRV-BFSLETRISA-N	407.388	3.648	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)c2ccc(F)cc2F)cc1	805314629	OCRUVZMDZMEZJU-MRXNPFEDSA-N	417.500	3.689	10	20	HHCD	
CCCN(C(=O)C(=O)NCCCSc1nccs1)[C@H]1CCc2ccccc21	806282662	PRHMOZXFGSSQTI-KRWDZBQOSA-N	403.573	3.668	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1Cl	807386718	GFUUOIITXXBGAI-UHFFFAOYSA-N	411.683	3.625	10	20	HHCD	
Cc1cccc(F)c1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	807516721	STRBBJSPDVOITI-UHFFFAOYSA-N	423.488	3.638	10	20	HHCD	
COc1cccc([C@@H]2C[C@H](C)CN2C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	807677046	KXVUVSXQQHVXTI-JKSBSHDWSA-N	409.530	3.548	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@@H](C)c3cc(Cl)cc(C)c3O)C2=O)c(OC)c1	808717817	JGHGUXVMTBWRJR-LIRRHRJNSA-N	418.921	3.823	10	20	HHCD	
O=C(N1CCCC1)N1CCC[C@@H](NCc2ccc(OCc3ccccc3)cc2O)C1	809697804	OTNKIWHAFDTGLT-OAQYLSRUSA-N	409.530	3.741	10	20	HHCD	
O=C(COc1cc(F)cc(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	810449267	DNYFDBRWKWUJQA-HNNXBMFYSA-N	412.383	3.730	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1ccco1	914439839	PHIGVNPHRFKBBR-NTCAYCPXSA-N	406.554	3.681	10	20	HHCD	
CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)NCc1ccc(N2CCCC2)cc1	915197951	MWDDJZLHXTZEIR-UHFFFAOYSA-N	423.538	3.742	10	20	HHCD	
CCN(CC)C(=O)CCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915777768	QOFMLJAMIQZUPK-UHFFFAOYSA-N	409.490	3.805	10	20	HHCD	
CC(C)N(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(N(C)C)cc1	917418011	UIEWMTKCWMQHGY-UHFFFAOYSA-N	405.340	3.759	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	918305971	QEPJOVVOTOXVFQ-UHFFFAOYSA-N	423.513	3.781	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(=O)n(C)c3)c2C)c1	919200188	WHVIQHCMJUIFJX-UHFFFAOYSA-N	410.495	3.554	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)NC2)c(C)n1-c1ccc(Cl)c(Cl)c1	919339367	ZUUNCYMORKACOK-CYBMUJFWSA-N	423.296	3.653	10	20	HHCD	
CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1	919454258	IIIMUEYBPDOHET-LJQANCHMSA-N	410.514	3.777	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C2CC2)cc1	919708513	HUPXQVKJZHLGGL-NRFANRHFSA-N	411.933	3.950	10	20	HHCD	
COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1Br	15571949	UFUWERGODXAFBZ-UHFFFAOYSA-N	405.336	3.926	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1	97494604	REULVNNYNNEFAJ-UHFFFAOYSA-N	422.573	3.836	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1F	195738796	HGZCZKFTJMPOJC-UHFFFAOYSA-N	413.880	3.685	10	20	HHCD	
CCN(CC)c1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1F	236935980	IRDDSIDVWDTVRP-MRXNPFEDSA-N	407.555	3.773	10	20	HHCD	
CCOc1ccc(O)c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	237080459	VABGMELPJHRYFY-UHFFFAOYSA-N	410.436	3.936	10	20	HHCD	
COc1cccc(-c2noc(SCC(=O)NCc3c(C)c4ccccc4n3C)n2)c1	473271507	HVQGSCAGKVJSEG-UHFFFAOYSA-N	422.510	3.954	10	20	HHCD	
C[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c2cccnc2O1	682797866	FSNKMWUZJFGQAQ-QGZVFWFLSA-N	411.465	3.816	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(F)ccc1[N+](=O)[O-]	726566359	WEYDLBRSXISWGX-UHFFFAOYSA-N	409.364	3.734	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(Cc3cccs3)CC2)cc1F	731363931	DVCYMXPNKINCQB-UHFFFAOYSA-N	404.555	3.761	10	20	HHCD	
CCc1cc(N2CCC[C@@H](NC(=O)N(C)Cc3ccc(N(CC)CC)cc3)C2)ncn1	732914135	LGZHOARNLFVXDX-OAQYLSRUSA-N	424.593	3.696	10	20	HHCD	
COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)CC2	733854558	XSXWDWCUGTXCIC-LJQANCHMSA-N	420.469	3.842	10	20	HHCD	
Cc1ccc(F)c(N2CCC[C@@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)c1	735675101	ACDRGCLCCRUAJL-PGRDOPGGSA-N	411.521	3.817	10	20	HHCD	
CCc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2c(O)ccc3ccncc23)CC1	736582758	KHMJNBQFWVOURL-GOSISDBHSA-N	419.525	3.615	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)ccc1C	737381091	ZEMFVMOSGQCVGP-UHFFFAOYSA-N	422.557	3.951	10	20	HHCD	
CC(C)C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	740780621	GVJMVNWXNKRJGS-GMAHTHKFSA-N	407.558	3.834	10	20	HHCD	
COc1ccc(-c2ncc(C(=O)NCc3ccc(N4CCOCC4)cc3)s2)cc1	742572400	ASTRWPKSDACLHX-UHFFFAOYSA-N	409.511	3.585	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCCN(c4ncnc5sccc45)C3)ccc21	742596804	BWUGSXPKPCLOMG-SFHVURJKSA-N	421.570	3.607	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1	742683745	RIQWJGUDWCZHTB-KRWDZBQOSA-N	409.559	3.599	10	20	HHCD	
CCN(CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	742806668	UJDISYKZXGYLOD-QGZVFWFLSA-N	403.473	3.900	10	20	HHCD	
COc1ccccc1CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743503147	RCPQTJLUOIQVHN-MRXNPFEDSA-N	405.445	3.765	10	20	HHCD	
CO[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743557730	LJYJFWBOOSRUEL-FXAWDEMLSA-N	419.472	3.944	10	20	HHCD	
CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1cc(Br)ccc1O	743870973	JZCBOCWZUPMBIG-UHFFFAOYSA-N	417.303	3.663	10	20	HHCD	
CN(c1ccc(CNC(=O)CCOc2ccc(C(N)=O)cc2)cc1)C1CCCCC1	748704764	XOAUEAZZJWGVMT-UHFFFAOYSA-N	409.530	3.640	10	20	HHCD	
Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n(C2CCN(C)CC2)n1	751012824	SWQLDVITSDMJSE-UHFFFAOYSA-N	410.566	3.721	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(-n4nc(C)cc4C)c3)CC2)cc1F	753880724	XVDHFFHXKKEZSC-UHFFFAOYSA-N	423.492	3.991	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)s1	756480635	SVCUDNQKRIHTRV-DOMZBBRYSA-N	412.552	3.961	10	20	HHCD	
CC(C)[C@H](NC(=O)NCCCSc1nccs1)c1nc(-c2ccncc2)no1	759576854	ZRGRCUGAIUQERR-AWEZNQCLSA-N	418.548	3.767	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)c2ccc(CCNS(C)(=O)=O)cc2)s1	759716645	DKUOOFBJWYEIIY-UHFFFAOYSA-N	412.602	3.507	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccccc3-n3nc(C)nc3C)CC2)cc1	759974408	NBUALEVSWCHJHH-UHFFFAOYSA-N	420.517	3.683	10	20	HHCD	
CSCc1ccccc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	760084341	IZFRUAHEBZPGQY-KRWDZBQOSA-N	412.559	3.573	10	20	HHCD	
C[C@H](CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)N(C)Cc1ccccc1	761953980	JMRYTKGPVMMWET-MRXNPFEDSA-N	415.921	3.720	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)cc2)CC1	762291528	LRTPTJKQRBEYDN-OAQYLSRUSA-N	412.578	3.513	10	20	HHCD	
NS(=O)(=O)c1ccccc1OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	763272521	NAEIHEXROPMLGU-UHFFFAOYSA-N	410.455	3.767	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1ccc2ccccc2c1	764865102	SWXGRESCNXMACI-DEOSSOPVSA-N	406.526	3.548	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1cccc2ccccc12)c1ccc(N2CCOCC2)cc1	765471402	DXFRRZNUJUYQCZ-WMZHIEFXSA-N	406.526	3.767	10	20	HHCD	
CCOc1cc(CN(C)Cc2ccccc2O)ccc1OCC(=O)N1CCCCC1	768872080	BPLIDGQYFIECEA-UHFFFAOYSA-N	412.530	3.814	10	20	HHCD	
CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	769400971	BQUQPMXXXSAZFB-HSZRJFAPSA-N	417.569	3.665	10	20	HHCD	
COc1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1C	769929377	ZIFNHUFRRZSZGQ-UHFFFAOYSA-N	405.336	3.893	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c2)CC1	770151634	AAFUDTLVJDLYGG-QHCPKHFHSA-N	409.530	3.639	10	20	HHCD	
CCCc1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n(C)n1	772595031	PFESEPOLZPHFSS-HNNXBMFYSA-N	407.465	3.765	10	20	HHCD	
COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773089762	VJUGUSWAWXOTOW-CYBMUJFWSA-N	418.540	3.793	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1	774486201	XSJTYUFEHORIFR-PMACEKPBSA-N	408.590	3.573	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1	775374540	DBTXUDVMGGNTMS-SJKOYZFVSA-N	410.392	3.756	10	20	HHCD	
Cc1ccc(NC(=O)c2cccc(O)c2O)cc1S(=O)(=O)Nc1ccccc1F	776325421	MWTKDRFXZJDYOA-UHFFFAOYSA-N	416.430	3.598	10	20	HHCD	
Cc1cc2c(cc1NC(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)OCO2	781470030	GFHALXFFFULYQJ-HUUCEWRRSA-N	415.465	3.798	10	20	HHCD	
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1	782261503	NONXCQIZJZAGJN-UHFFFAOYSA-N	410.448	3.746	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3ncc(Cl)cc3Br)cc2)C1	784099737	RLYZMPHGPDBNOU-CYBMUJFWSA-N	423.742	3.811	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3c(c2)OCCCO3)cc1	784109782	XWODYLNZUYCBCF-UHFFFAOYSA-N	409.486	3.592	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)cc1	787919038	XKAITGFYJMWHSX-UHFFFAOYSA-N	422.510	3.777	10	20	HHCD	
Cc1cc(C)c([C@H](C)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c(O)c1	788645446	XPNJOPYTRMJGQO-ICSRJNTNSA-N	412.530	3.534	10	20	HHCD	
Cc1cc(C(=O)N2CC([C@H]3CCOC3)C2)c(C)n1-c1ccccc1Br	792608282	LGIKYZLEJGQVNM-HNNXBMFYSA-N	403.320	3.965	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC2(S(C)(=O)=O)CCC2)cc1	793999013	ZBQWHHNLPRBOKW-UHFFFAOYSA-N	414.531	3.865	10	20	HHCD	
Cc1onc(-c2cccnc2)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	795360944	RGYVPCLLNBWLTO-GJZGRUSLSA-N	424.476	3.728	10	20	HHCD	
Cc1ccc([C@@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)c(O)c1	797036155	KTBDXGCNLIZXNX-GFCCVEGCSA-N	403.331	3.637	10	20	HHCD	
C[C@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCN(Cc2ccccc2)C1	798420410	SHHYCVSHDJUKEK-RUZDIDTESA-N	404.558	3.774	10	20	HHCD	
COc1cc(N2CCN(C(=O)C(C3CCC3)C3CCC3)CC2)cc(OC)c1OC	803105011	GOEDAPVQYMSIAC-UHFFFAOYSA-N	402.535	3.577	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2ccccn2)cc1)C1CCCCC1	803678574	DUIGMXJXIJKVBH-QHCPKHFHSA-N	420.557	3.830	10	20	HHCD	
CC(C)OC[C@H]1C(=O)N(Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C(=O)N1C	804188238	KVNHEWDAYIBJME-BEFAXECRSA-N	407.942	3.764	10	20	HHCD	
CCc1nc([C@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cs1	806116641	SODNGUWOBJGRCE-HNNXBMFYSA-N	415.559	3.950	10	20	HHCD	
C[C@@H]1CC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)[C@H](C)C1	806190632	BXTBNBLAFZCDGJ-JBYIUTFZSA-N	411.546	3.815	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1noc2c1CCCC2	807620895	SKQUVGJXPWEMJK-UHFFFAOYSA-N	408.296	3.753	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1)c1ccc(N(C)C)cc1	807675584	BVEOYKPPMJUDSA-ZIAGYGMSSA-N	423.435	3.706	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1csc(-c2ccco2)n1	808445092	UHYZIPPNTXEPQR-UHFFFAOYSA-N	413.499	3.554	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1O	813792817	XDXMLCOWLRERQU-ZDUSSCGKSA-N	419.634	3.679	10	20	HHCD	
Oc1cc(F)c(Cl)cc1CN1CCN(Cc2nc(-c3cccs3)no2)CC1	816483166	IDJVEVKXTMVJBV-UHFFFAOYSA-N	408.886	3.614	10	20	HHCD	
CCc1cccc(CC)c1NC(=N)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	849070102	DHGZOYQWHZXHMH-FQEVSTJZSA-N	407.562	3.650	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCN2C(=O)NC(C)(C)C2=O)cc1	914616187	UPGZFALMVDFING-UHFFFAOYSA-N	423.473	3.655	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2ccc(N3CCCC3=O)cc2)c(C)n1-c1ccccn1	914907845	WWIBGRKTWBTCOU-UHFFFAOYSA-N	417.465	3.656	10	20	HHCD	
CN(C)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cccc(F)c1	915900940	LXSMUTQPKDARII-SFTDATJTSA-N	415.509	3.525	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)sc2c1CCCC2	918557726	GHVRBHQSGGQEBV-LBPRGKRZSA-N	416.474	3.544	10	20	HHCD	
CCCC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)c1C	920319957	KGLJCDAHOOKLRI-UHFFFAOYSA-N	424.545	3.835	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)Nc1cc(Cl)ccc1F)c1ccc(N2CCOCC2)cc1	920868949	GJWZYWUSASPGAB-LSDHHAIUSA-N	405.901	3.994	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1COc2ccc(F)cc2C1	1116405557	VUBMVQWINJFQHW-HNNXBMFYSA-N	420.431	3.763	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)cc2F)CC1	1255466780	BOEWIYNLZMUEEZ-OALUTQOASA-N	420.573	3.503	10	20	HHCD	
CO[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)cc1	1319160128	NWDWZXHTOSUAGE-CTNGQTDRSA-N	402.466	3.610	10	20	HHCD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C	57577539	IHNFAYAOYUNWQM-UHFFFAOYSA-N	415.490	3.750	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)cc1	108429876	FANDPRKXBHSSRM-UHFFFAOYSA-N	408.420	3.832	10	20	HHCD	
CC(C)NC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	148458779	MGIKQHNDTBPYSR-KRWDZBQOSA-N	410.518	3.544	10	20	HHCD	
Cc1c(NC(=O)CCN(Cc2ccccc2O)C[C@H]2CCCO2)cccc1[N+](=O)[O-]	303351919	HKNJXNVPOAXWMR-GOSISDBHSA-N	413.474	3.619	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3nnc(-c4ccccc4)o3)ccc21	466432394	WMEFNPNSSPJSHH-UHFFFAOYSA-N	418.497	3.927	10	20	HHCD	
COc1ccc(CCNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC(F)F	725869756	SWVZNZUJBVMMJR-UHFFFAOYSA-N	411.424	3.544	10	20	HHCD	
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(N2CCCC2)cc1	726097149	FQIMAMBUAMRZKY-XMMPIXPASA-N	421.589	3.878	10	20	HHCD	
COc1ccc(N2CCC(NC(=S)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1	726494822	WYJRJAKIGXQFPW-UHFFFAOYSA-N	421.469	3.972	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCNC(=O)c2cccs2)cc1	728839831	RRZZZMULLPMZKW-UHFFFAOYSA-N	413.465	3.525	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c1	728983069	UAZAYZGIUFGCRO-NWDGAFQWSA-N	423.296	3.938	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c1	728983070	UAZAYZGIUFGCRO-RYUDHWBXSA-N	423.296	3.938	10	20	HHCD	
COCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)cc1	730593244	ISVJECBULRXXNE-LFIBNONCSA-N	402.497	3.521	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H]3CCN(c4ccccc4)C3=O)ccc21	731723628	FSAICMGJKVDEER-QFIPXVFZSA-N	406.482	3.867	10	20	HHCD	
COc1cccc(OC)c1OC[C@@H](O)CN(Cc1ccccc1O)C1CCCC1	731845710	IELSFELTQAZZKZ-IBGZPJMESA-N	401.503	3.594	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(=O)c2ccncc2)cc1	733800979	PTGVAEHNROBBBG-KRWDZBQOSA-N	417.513	3.960	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCCCc2ccc(Br)cc2F)c1	734946717	JUHYXCYLZDIPGJ-UHFFFAOYSA-N	411.271	3.734	10	20	HHCD	
COCC[C@H](Cc1cccc(Br)c1)C(=O)NCc1cc(OC)ccc1O	741284232	KBBGXWZKLDBWEW-OAHLLOKOSA-N	422.319	3.675	10	20	HHCD	
O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1ccc(N2CCCCC2)cc1	743324633	JAWGWEIEEITKJQ-XMMPIXPASA-N	407.558	3.584	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Oc1ccccc1F	745891922	IQQVPHQZMQDCDA-SJLPKXTDSA-N	402.466	3.689	10	20	HHCD	
COC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C)o1	746769173	DYUBSLSMMRRLEW-MAUKXSAKSA-N	423.460	3.845	10	20	HHCD	
CN1CCCc2cc(CNC(=O)/C=C\c3ccc(I)o3)ccc21	746809474	ZYWOECCKURNOCI-TWGQIWQCSA-N	422.266	3.596	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)Oc2ccccc2Br)c1	748977864	NHUVJXNIJOGLRW-CHWSQXEVSA-N	423.307	3.991	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c1O	750036393	OEGQNYLQDSGDFK-UHFFFAOYSA-N	404.869	3.735	10	20	HHCD	
COc1ccc(C(=O)N2CCN(Cc3cc(OC)cc(C(C)(C)C)c3O)CC2)cc1	754723457	KURXHDGEIJNFMA-UHFFFAOYSA-N	412.530	3.665	10	20	HHCD	
CCc1nc(CN2CCC(CN[C@H](C)c3cc([N+](=O)[O-])ccc3O)CC2)cs1	756569263	MLECSSHQBDEXHU-CQSZACIVSA-N	404.536	3.882	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CC2(CCC2)Oc2ccccc21	757645840	HDBFOHYVXXXMNX-OAQYLSRUSA-N	407.514	3.769	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(N2CCOCC2)cc1	764362289	KSGPLSYSTJMLAC-QGZVFWFLSA-N	424.501	3.867	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(Br)c(C)n(C)c2=O)cc1	764744184	GCJRXNKNPJIVGA-UHFFFAOYSA-N	420.351	3.575	10	20	HHCD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	764853440	DIUJCGMMHFHTOF-UGSOOPFHSA-N	404.942	3.660	10	20	HHCD	
COC[C@@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	765078579	MKSCSLNAUVNJOE-LJQANCHMSA-N	408.464	3.889	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)CCCC(F)(F)F)c2C)cc1	766672982	DUEXHQWBWZTYFH-UHFFFAOYSA-N	418.437	3.505	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	768202353	XWXPXNCIULPPRD-HOTGVXAUSA-N	422.422	3.624	10	20	HHCD	
O=S(=O)(/C=C/c1cccc(Cl)c1)NCc1ccc(N2CCSCC2)cc1	768808294	RRKNGOJIUBNXSD-MDWZMJQESA-N	408.976	3.984	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](OC(C)C)c2ccccc2OC)c1	770491610	CYPGSGOUMWEJED-YCRPNKLZSA-N	402.491	3.936	10	20	HHCD	
COc1cccc([C@@H]2[C@@H](C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC(=O)N2C2CC2)c1	773013367	XHEURKNNSFSVFZ-UIDQEFQQSA-N	421.541	3.691	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1	773741430	ZBAKBSVRSOLEFH-LLVKDONJSA-N	412.364	3.570	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1n[nH]c(-c2ccccc2)c1Br	773752339	ZNQICKKVTMNNFN-LLVKDONJSA-N	416.275	3.611	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccnc2)c1)c1ccc(N(C)C)cc1	773860101	YRXJLOIDJOKGHW-QGZVFWFLSA-N	418.497	3.543	10	20	HHCD	
CC(C)CS(=O)(=O)N1CCC(N[C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1	774304724	WWAZNHNXWJIQLU-LBPRGKRZSA-N	409.379	3.800	10	20	HHCD	
C[C@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cc(F)cc(F)c1O	774495258	YYPNLEQNTZMGOW-VIFPVBQESA-N	409.376	3.944	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCc3nnc(O)cc3C2)cc1	775313052	DYSHMZHEDMAHGL-UHFFFAOYSA-N	402.458	3.862	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc4occ(C)c4c3)CC2)cc1	775447295	OGUDGSZMHLAHJU-KTKRTIGZSA-N	419.481	3.593	10	20	HHCD	
C[C@@](O)(CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	780953552	GOUFKIUVXQFUKN-VGOFRKELSA-N	404.457	3.671	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)CCc3n[nH]c4ccccc34)CC2)cc1	782758532	URTOEXORGHMUGG-HXUWFJFHSA-N	421.589	3.695	10	20	HHCD	
COc1cc(O)c(CN2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]3C2)cc1OC	784034717	WVUFUMGTYKTOOA-UAGQMJEPSA-N	406.523	3.535	10	20	HHCD	
CCOc1c(Cl)cccc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	785431938	MEJFRJMHADWFGB-SFHVURJKSA-N	401.938	3.730	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Nc3cc(Cl)ccc3Cl)cc2)CC1	786055359	DUWGWLSPAPFOLN-UHFFFAOYSA-N	421.328	3.984	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1c(F)cccc1Cl	786931850	PGVHVVYSHFCEIN-UHFFFAOYSA-N	417.912	3.744	10	20	HHCD	
COC(=O)CN(Cc1cccc(Br)c1)Cc1c(O)ccc2ccncc12	788785219	XODHUGSOWUSMDF-UHFFFAOYSA-N	415.287	3.878	10	20	HHCD	
COc1cc(N2CCN(CC[C@@H](C)OCc3ccccc3)CC2)cc(OC)c1OC	789376781	GTLCWOGWBJAGSI-LJQANCHMSA-N	414.546	3.830	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1	789885624	VTFJQOWMHZQVTE-UHFFFAOYSA-N	416.610	3.709	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1C(CC)CC	790654954	JNCVDMCCGASAJR-UHFFFAOYSA-N	412.578	3.945	10	20	HHCD	
CCC[C@]12CCCN1C(=O)N(C1CCN(c3ccc(OC(F)F)cc3)CC1)C2=O	794774310	XVGJXYRUWVMKII-OAQYLSRUSA-N	407.461	3.854	10	20	HHCD	
C[S@](=O)Cc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	796526396	MPVABWYDFKGXEC-NDEPHWFRSA-N	401.532	3.753	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCO[C@]4(CCOC4)C3)cc2Cl)C1	800714731	UMWCZPYULJBZJP-TVTNDZMWSA-N	421.969	3.714	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C(C)(C)C1	800893521	NSLWDAUREVOOTD-HXUWFJFHSA-N	421.557	3.788	10	20	HHCD	
C[C@](O)(CCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	801161892	IAOUJXOFUIHHIG-MBSDFSHPSA-N	418.484	3.757	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@@H](c1ccccc1F)C1CCCC1	806279075	DFCBRTFCDWQXMG-QGZVFWFLSA-N	421.563	3.928	10	20	HHCD	
COCCCOc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1OC	806623953	ZZCQNMOOSMPPPO-UHFFFAOYSA-N	413.518	3.815	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H]1CCC[C@H](C)CC1	806965425	HXXKTRNHNYYMRX-XJKSGUPXSA-N	411.340	3.588	10	20	HHCD	
CC[C@@H]1CCC[C@H](NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)C1	807166977	QIZQIUUIDYDUQA-CJNGLKHVSA-N	411.340	3.588	10	20	HHCD	
CCSc1cccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1	807385959	XMDAHCFMUUWFOX-UHFFFAOYSA-N	409.305	3.522	10	20	HHCD	
O=C(CCC(=O)N1CCOc2ccccc21)NCc1cc(Cl)cc(Cl)c1O	807837147	CQJPVDABNWUCFW-UHFFFAOYSA-N	409.269	3.521	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3ccnc(Br)c3)cs2)cc1	815232128	BZMKLPMODMMBLK-UHFFFAOYSA-N	404.289	3.831	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCNC(=O)c2ccccc2Cl)cc1	916263292	UABFOABUCXINPQ-UHFFFAOYSA-N	416.953	3.758	10	20	HHCD	
COc1ccc([C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)cc1	918202289	YIPNIPNALIOOCY-JOCHJYFZSA-N	413.493	3.621	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1	918460558	CMWDXIICGSQQRZ-UHFFFAOYSA-N	422.312	3.679	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(C)n(-c4nccs4)c3C)CC2)cc1	1116348019	JGSZCAWBZLEUBU-UHFFFAOYSA-N	410.543	3.912	10	20	HHCD	
COc1ccccc1C1(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1	1318882363	ORVSAGMUWFOAHC-SFHVURJKSA-N	409.530	3.971	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCCN3C[C@@H](C)C[C@H](C)C3)CC2)cc1	110464725	YMMHJLXRLAMHIE-PMACEKPBSA-N	416.610	3.721	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1	236929366	QVHAHAWUMQUQLA-UHFFFAOYSA-N	403.592	3.899	10	20	HHCD	
COCCCOc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1OC	487994965	QZWIBBKYNFBATC-UHFFFAOYSA-N	415.490	3.607	10	20	HHCD	
COc1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc2c1OCO2	726607834	DIUWNUPXMPEDKD-UHFFFAOYSA-N	406.429	3.784	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1	726628333	WIAUDNAIIQDNNT-NTEUORMPSA-N	419.325	3.954	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccccc3N3CCCC3)CC2)cc1	726708166	JSVJIIJKLLFGEY-UHFFFAOYSA-N	408.546	3.764	10	20	HHCD	
CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)s1	727248969	NXFMHASZFGCAMB-UHFFFAOYSA-N	408.530	3.643	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1[N+](=O)[O-]	728839873	VMHDEYQYNQLWSO-UHFFFAOYSA-N	411.380	3.874	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(c3nnc(S)n3C)CC2)c1C	731633256	CGBKIOSORWBFTQ-UHFFFAOYSA-N	409.559	3.840	10	20	HHCD	
CCOC[C@H]1CCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	733848463	WUCKWWAEVMADJW-INIZCTEOSA-N	411.493	3.715	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1C	734405054	RSDIAVYFYDIMLA-UZUQRXQVSA-N	407.558	3.677	10	20	HHCD	
Cc1cc(C(=O)N2CCN(CC3CCOCC3)CC2)c(C)n1-c1cccc(Cl)c1	736258100	PUKJLTATYUYVJX-UHFFFAOYSA-N	415.965	3.932	10	20	HHCD	
O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	741425035	DHCVFJAXVHEAEO-UHFFFAOYSA-N	404.344	3.570	10	20	HHCD	
CN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(N2CCOCC2)cc1	741730316	NDWAPFOWMQAZIQ-UHFFFAOYSA-N	408.329	3.901	10	20	HHCD	
COc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1[N+](=O)[O-]	742799204	INWHOEBMXKYQPA-AWEZNQCLSA-N	421.400	3.604	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCC[C@H]1CN1CCOCC1	743375531	TZMIDWBQCOFGRS-KRWDZBQOSA-N	405.336	3.605	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1	743891686	ZFFWFJWTIVWVGI-UHFFFAOYSA-N	407.436	3.893	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCCN(C(C)C)C1	745804721	NKKSOQLPVMOSJT-OAHLLOKOSA-N	412.372	3.807	10	20	HHCD	
COCCn1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cn1	747749945	BFIXMNOGCAPDTA-UHFFFAOYSA-N	406.533	3.577	10	20	HHCD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	747844864	IQWMICHIGUOCPT-HSZRJFAPSA-N	419.566	3.721	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1cccc(F)c1)C[C@H]1CCCO1	747965558	IDYWHVBWIOPBBL-HSZRJFAPSA-N	413.537	3.531	10	20	HHCD	
COc1cccc(C(C)(C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	749797290	JKHTXASIGKTIJK-SFHVURJKSA-N	411.546	3.870	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(OCc2ccccc2)nc1	751095035	QSZMFAJZZNKFMN-UHFFFAOYSA-N	421.472	3.566	10	20	HHCD	
COC(=O)c1c(Br)ccc(NC(=O)NCc2cccc(OC)c2O)c1C	753233002	YWOQZLIXMSJGRI-UHFFFAOYSA-N	423.263	3.580	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3ccc(OC(F)F)cc3)CC2)cc1F	753737626	HHVPOUOHBDSNFG-UHFFFAOYSA-N	408.420	3.717	10	20	HHCD	
O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1	754890439	GKLKORXPMHOFSV-DHIUTWEWSA-N	400.494	3.957	10	20	HHCD	
C[C@H](NCCCS(=O)(=O)Cc1ccccc1)c1cc(Br)ccc1O	756441692	MUZNBEFNGPNFFI-AWEZNQCLSA-N	412.349	3.810	10	20	HHCD	
C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)c(F)cc1O	756674476	VKGUTHIUAKVDOR-YVEFUNNKSA-N	407.283	3.746	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(c3ccccc3OC)C1=O)OCO2	758818291	FATWWFPINSQTOD-CAOOACKPSA-N	401.465	3.838	10	20	HHCD	
Cc1noc(C[C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)n1	760052838	RXTXPKYYLXKADH-IIBYNOLFSA-N	410.493	3.988	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnn(C)c2Br)cc1	760162497	GRNSCDUBDNEOPK-UHFFFAOYSA-N	417.307	3.684	10	20	HHCD	
O=C(Cc1cccc(I)c1)NCc1ccc(N2CCCC2)cc1	760364651	IOVLOGCQIJGIQA-UHFFFAOYSA-N	420.294	3.750	10	20	HHCD	
CCO[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)C	760376462	URRWODRGCXRMAI-SFHVURJKSA-N	402.457	3.609	10	20	HHCD	
O=S1(=O)CC[C@H](CCN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)C1	760858188	ZSOQYJKXNOSECN-PDGUBNMISA-N	413.539	3.802	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H](c3ccccc3)N(C)C)cc2F)C[C@@H](C)O1	764382262	NSCSKDPHACZEJE-PNCHPQGNSA-N	413.537	3.749	10	20	HHCD	
CC(C)Oc1cccc([C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	766062465	ZKHIBWWZYRMHGN-HXOBKFHXSA-N	402.510	3.834	10	20	HHCD	
CN1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC[C@H]21	766581943	HBYBBKHWDVTUNV-LAUBAEHRSA-N	405.502	3.983	10	20	HHCD	
CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	766878800	HGSBBLBEFNAISD-RTWAWAEBSA-N	421.557	3.522	10	20	HHCD	
COc1ccccc1[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccco1	769040028	KAEPVYPDWPSCBA-HSZRJFAPSA-N	421.497	3.714	10	20	HHCD	
Cc1cc(C)cc(OCc2noc(CN(C)Cc3ccc(N4CCOCC4)cc3)n2)c1	771097543	JRNRUEZUBCMIOH-UHFFFAOYSA-N	422.529	3.734	10	20	HHCD	
O=C1CCCCN1c1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	771895952	AELJRVQMGOGNHH-UHFFFAOYSA-N	413.861	3.531	10	20	HHCD	
Cc1nnc(S)n1CCNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772697747	NSCZABMPZPUWLQ-UHFFFAOYSA-N	409.519	3.787	10	20	HHCD	
CCC(=O)N1CC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1	773221269	KBAUABBLMICOIO-IBGZPJMESA-N	410.514	3.695	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C)Cc3ccccc3)cc2Cl)C1	774326482	JHQDSJGSOQMEHR-QGZVFWFLSA-N	413.949	3.851	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(Cc2c(C)noc2C)Cc2c(C)noc2C)c1O	774906308	XPVXTDHEEDGFRO-UHFFFAOYSA-N	416.434	3.721	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)nc(C(F)(F)F)n1	778633034	YNXWKDWCCVVKJP-QGZVFWFLSA-N	422.451	3.691	10	20	HHCD	
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccc(O)c(O)c1	778927203	KUDICQGKCVIGHL-UHFFFAOYSA-N	415.449	3.889	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCCCS(=O)(=O)c2ccccc2)c1O	779012035	XUAKCCMNTVXUSA-CQSZACIVSA-N	412.349	3.978	10	20	HHCD	
CC(C)(CNCc1cc(F)ccc1O)S(=O)(=O)c1ccc(Br)cc1	779078627	NSLKEJMROMZWPP-UHFFFAOYSA-N	416.312	3.636	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1	779570468	LSESEXLCGUMONS-WAEYIKQSSA-N	419.481	3.514	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(C)cc(Br)c2)c1	780795581	ZADBNOZINCKUBZ-LLVKDONJSA-N	400.294	3.511	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(S(=O)(=O)NC3CC3)c2)c(C(F)(F)F)c1	793083271	BULAGUQCXGYVPT-UHFFFAOYSA-N	413.465	3.824	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cc1F	797441677	RVBRWAVSRQUOCW-UHFFFAOYSA-N	422.497	3.677	10	20	HHCD	
Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C(=O)N1CCCCC1	797651476	SDCLNTKGWPKBOS-INIZCTEOSA-N	411.502	3.785	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1	799299115	VYZVHELLFIMZHQ-UHFFFAOYSA-N	422.554	3.643	10	20	HHCD	
COC(=O)c1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)o1	799927998	MPBNPRCOGKGXCG-CQSZACIVSA-N	419.909	3.955	10	20	HHCD	
CCCCCS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800050297	RZBKPDTTXLCSOT-INIZCTEOSA-N	414.999	3.798	10	20	HHCD	
CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	801828700	IJCDJTCRRPCGDI-UHFFFAOYSA-N	419.533	3.572	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC2(CCC2)CC1	804625271	YQBNHRYJJOESCE-UHFFFAOYSA-N	406.529	3.661	10	20	HHCD	
COc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c2cccnc12	805134475	AJCFLRUSYDLJDH-UHFFFAOYSA-N	413.282	3.734	10	20	HHCD	
Cc1ccccc1[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	805876054	KFBGSGUZCRBOTH-HSZRJFAPSA-N	405.542	3.820	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1O	806131016	GNIPMLZQUIELAS-JXFKEZNVSA-N	401.938	3.988	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C	807095836	FOQRBHGVMVRMSP-FQEVSTJZSA-N	417.500	3.859	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1	807289324	PVSUKPJIRSEAJS-FGZHOGPDSA-N	403.526	3.522	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1	807674499	LZOPPPVKOWOKJF-AVCGJXAMSA-N	423.557	3.556	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)c1ccc(N(C)C)cc1	807677705	RWNYREXWAHJDJL-GAJHUEQPSA-N	405.542	3.998	10	20	HHCD	
COc1ccc(C[C@](C)(O)CN[C@H](C)c2cc(Br)ccc2O)cc1OC	810256165	WLHNHPWAOGCAAM-XCLFUZPHSA-N	424.335	3.816	10	20	HHCD	
Cc1cc(Cl)cnc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	812957969	YTVPCSXKLLYQGD-UHFFFAOYSA-N	400.910	3.631	10	20	HHCD	
O=C(N[C@@H]1CCN(c2ccccc2F)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	813854722	GXPRKJJQUSXNOR-RTBURBONSA-N	413.493	3.501	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cccc(F)c1Br	816495718	HKHJNQYULLHDNM-UHFFFAOYSA-N	403.045	3.986	10	20	HHCD	
Cc1cc2c(cc1C)[C@@H](C(=O)N[C@@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CO2	857472889	PFUGHFJUCOQPND-QUCCMNQESA-N	414.933	3.919	10	20	HHCD	
Cc1cc(CCNC(=O)c2cc3c(nc2O)CCCC3=O)c(C)n1-c1ccccc1	899596062	QVNNMQQVPQMHRU-UHFFFAOYSA-N	403.482	3.686	10	20	HHCD	
COC(=O)c1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(F)cc1F	916681040	FSZZRRDXUMYZKW-AWEZNQCLSA-N	420.412	3.670	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3c(C)cc(C)cc3Cl)CC2)cc1	918460889	JUQVMMDVFJDOCO-UHFFFAOYSA-N	415.921	3.643	10	20	HHCD	
Cc1cc(C(=O)NCC(=O)N2CCCc3ccccc32)c(C)n1-c1ccc(F)cc1	919993436	SUYDSPJDQXKEBH-UHFFFAOYSA-N	405.473	3.942	10	20	HHCD	
CC(C)(C)[C@@H]1CCC2=S=C(c3nnc(-c4ccc(S(C)(=O)=O)o4)o3)C=C2C1	1117217772	UKEBZJUBBZZLCR-GFCCVEGCSA-N	406.529	3.945	10	20	HHCD	
CN1CCN(c2ccc(CNC3(Cc4cccc(F)c4)CCOCC3)cc2F)CC1	1326326998	HXWXWSOXBHRODN-UHFFFAOYSA-N	415.528	3.598	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CCCS3)C2)cc1	1846721166	WIXSBSFNGJEJQE-OAQYLSRUSA-N	423.582	3.807	10	20	HHCD	
C[C@@H](NC(=O)Nc1nc(C(F)(F)F)cs1)c1ccc(N2CCOCC2)cc1	141584202	YGLPKGKDEIEVHX-LLVKDONJSA-N	400.426	3.881	10	20	HHCD	
CN(Cc1ccc(Cl)s1)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	216472662	GLGCDIHAZVCXRG-MRXNPFEDSA-N	408.951	3.747	10	20	HHCD	
CN(C(=O)c1cn(C)nc1-c1cnn(C)c1)c1ccc(OCc2ccccc2)cc1	444469401	WZSYTTYQAYABOR-UHFFFAOYSA-N	401.470	3.676	10	20	HHCD	
CCS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1	482035009	CXVBQWFRUVUPEG-UHFFFAOYSA-N	414.527	3.950	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC(=O)Nc3c(C)cccc3C)ccc21	482100131	ZVAZDTZHCGCHGF-UHFFFAOYSA-N	407.514	3.890	10	20	HHCD	
Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1	571817542	ZCSAUJZMRRMXPN-UHFFFAOYSA-N	422.554	3.950	10	20	HHCD	
C[C@@H](COc1ccc(F)cc1F)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	726239658	NOXQGCRXGIBWMK-JKSUJKDBSA-N	419.472	3.629	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(-c2ccncc2)on1	726566723	BJZGKFTWGVWXBD-UHFFFAOYSA-N	414.412	3.737	10	20	HHCD	
O=C(NCc1cccc(OCC(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	726713750	GRKAAXYYCOVEEL-LJQANCHMSA-N	420.456	3.927	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1	727244593	CQIDSNTXSXTGHE-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CCc1ccc([C@H](C)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1	727729321	XBHVWGGKTHBZOB-FQEVSTJZSA-N	409.574	3.690	10	20	HHCD	
COC(=O)c1ccc(CN(C)Cc2c(O)ccc(C(=O)c3ccccc3)c2O)cc1	728194498	AABDQKATFVWXER-UHFFFAOYSA-N	405.450	3.747	10	20	HHCD	
CN(CCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C	729680619	GVVHYGKHTMSMSV-UHFFFAOYSA-N	406.527	3.932	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3cccs3)cc2F)CC1	730133217	MDBLDJQTRHBMOZ-MRXNPFEDSA-N	404.555	3.932	10	20	HHCD	
COc1ccc([C@H](NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)cc1	732203109	LSOJLGBDHCWXCQ-WIOPSUGQSA-N	424.541	3.649	10	20	HHCD	
CC(=O)N(c1nc(COC(=O)c2sc3nc(C)cc(C)c3c2N)cs1)C1CC1	734179712	BEEMKWJYDMKABG-UHFFFAOYSA-N	416.528	3.824	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccc(I)o1	734404532	JEWQRXOOWCWTTA-VQHVLOKHSA-N	410.255	3.588	10	20	HHCD	
Cc1cccc(-c2nnc(S)n2CCC(=O)NCc2ccc(N(C)C)cc2C)c1	734557840	LXZFUTXRDPIJLC-UHFFFAOYSA-N	409.559	3.623	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2CC[C@H](CO)C2)sc(C)c1-c1ccccc1	740428394	SCJNDZQWOCSWGT-INIZCTEOSA-N	416.543	3.543	10	20	HHCD	
Cc1cc(CN2CCN(CC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)CC2)no1	741563168	JNSXBLOQDFXJEU-UHFFFAOYSA-N	410.493	3.530	10	20	HHCD	
CC(C)Cn1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1	743223456	MGMJYTIWQZDQCQ-IYBDPMFKSA-N	403.502	3.614	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(S(=O)(=O)C2CCCC2)cc1	743716662	VXSMMSJYKOBXMQ-UHFFFAOYSA-N	413.539	3.917	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(Br)ccc2-n2cccn2)c1	746724282	QPNTWQKQOVBGQC-UHFFFAOYSA-N	417.263	3.671	10	20	HHCD	
C[C@]1(C2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)NC(=O)NC1=O	749225650	OARSJWGDUKRSNX-JOCHJYFZSA-N	420.473	3.944	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1O	750044242	JVWLBILPHBUMOA-UHFFFAOYSA-N	402.878	3.805	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC3CCC(N4CCCCC4)CC3)CC2)cc1	751091929	SLGYCMLCOARGRS-UHFFFAOYSA-N	414.594	3.760	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C	752667532	AGSGXXXBZLWPCW-IAGOWNOFSA-N	404.555	3.506	10	20	HHCD	
CO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1	752845798	SRADIGSXHZWURL-TZIWHRDSSA-N	421.545	3.614	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)c1c(F)cccc1F	752995130	FBJMNNWIHWDDQI-FPOVZHCZSA-N	401.457	3.652	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCS[C@@H](C)CC2)c([N+](=O)[O-])c1Br	755053722	DILZLYYYHWDOCD-QMMMGPOBSA-N	406.258	3.606	10	20	HHCD	
C[C@@H](NCCNC(=O)c1c(F)cccc1F)c1cc(Br)c(F)cc1O	756708552	QUBNEAFAHXXQBS-SECBINFHSA-N	417.225	3.653	10	20	HHCD	
Fc1ccc(Br)c2c1CN(Cc1ccc(N3CCOCC3)cc1)CC2	758014309	OQLFOBAHOZKZSN-UHFFFAOYSA-N	405.311	3.983	10	20	HHCD	
COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1	758161286	AWRBCUJHQIEUFQ-UHFFFAOYSA-N	410.662	3.940	10	20	HHCD	
O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	758357536	TZJUBBCGNVVEFW-AWEZNQCLSA-N	422.844	3.879	10	20	HHCD	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NCCCSc1nccs1	758624022	ZCSRRUMYURKOBO-UHFFFAOYSA-N	408.549	3.548	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1	759998502	BAZXVCBHRQAQBT-IBGZPJMESA-N	407.539	3.934	10	20	HHCD	
C[C@H](NC[C@H](CO)Cc1ccccc1Br)c1cc(F)cc(F)c1O	760034216	LVACVNXZUIHDPV-NWDGAFQWSA-N	400.263	3.935	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1OC(F)F	765252834	JEVIZJXZZVCDNP-GOEBONIOSA-N	421.463	3.980	10	20	HHCD	
Cc1ccc(C(=O)N[C@H](C(=O)NCc2cccc(Br)c2O)C(C)C)cc1	765751205	AEEBGMFAVQGYOX-KRWDZBQOSA-N	419.319	3.534	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NC3CCN(CC(F)(F)F)CC3)C2)cc1	766238759	YQAUHBKZDHKUJA-HNNXBMFYSA-N	407.427	3.873	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCc3c(F)ccc(F)c32)c1	766370131	RSDNWRJQHNJBNO-UHFFFAOYSA-N	416.468	3.658	10	20	HHCD	
CC(C)NC(=O)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1	767381627	GNCKAXIUNASLFF-UHFFFAOYSA-N	408.546	3.608	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1	769282148	LOYWHKKIPWXWSM-IBGZPJMESA-N	412.555	3.863	10	20	HHCD	
CCCN(Cc1ccccc1O)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-]	770469453	NVVMXAVOVRZPTN-UHFFFAOYSA-N	400.403	3.713	10	20	HHCD	
COc1cccc(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1O	770552486	GOZFKHIMHMHTPI-UHFFFAOYSA-N	401.470	3.909	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1C	772577047	YCTKFECVYULYJX-QFIPXVFZSA-N	406.530	3.722	10	20	HHCD	
C[C@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(N2CCCCC2)cc1	772976437	KJIAVVUGJVTAJI-INIZCTEOSA-N	415.550	3.592	10	20	HHCD	
COc1cccc(C2(NCc3ccc(N4CCOCC4)c(F)c3)CCOCC2)c1F	775047392	MSBNCXJWJSIDMY-UHFFFAOYSA-N	418.484	3.606	10	20	HHCD	
CN1CCN(c2ccc(CN3CCCC[C@H]3CNC(=O)Nc3ccccc3)cc2)CC1	775653459	GZQPKWJVPIBVET-DEOSSOPVSA-N	421.589	3.615	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCOCC4(CCCC4)C3)cc2F)C[C@H](C)O1	776118938	WWJKPOAFDSPCKS-ROUUACIJSA-N	419.541	3.542	10	20	HHCD	
Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1O	780922676	XTNWYXGOHQJHEK-DLBZAZTESA-N	404.507	3.800	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3F)C2=O)cc1	782188527	JXBAROOFOCILKJ-PXNMLYILSA-N	421.446	3.922	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OC[C@@H]2CCS(=O)(=O)C2)cc1	788882882	FCCDBOKIHMQNKU-HNNXBMFYSA-N	401.488	3.760	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCC2(c3cccc(Cl)c3)CC2)cc1	788975582	RAVHGIBMBGTWBG-UHFFFAOYSA-N	413.949	3.650	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1	791505355	AKUREMUBXFLDPB-QGZVFWFLSA-N	409.452	3.759	10	20	HHCD	
COC(=O)Cn1ncc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C	793849098	NDJBAFKTVPCRAU-UHFFFAOYSA-N	414.893	3.607	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(NC(=O)C2CC2)c1	797195865	XWUUWMCFQQAPCV-UHFFFAOYSA-N	418.291	3.561	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(CC1CC1)C1CCC1)c2[N+](=O)[O-]	797358003	HIHZZNHCLPDVAU-UHFFFAOYSA-N	404.422	3.775	10	20	HHCD	
Cc1ccc(F)cc1-c1nnc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1	797652086	DJARRJULRKNWFK-NSHDSACASA-N	402.451	3.817	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H]3CCN(Cc4ccccc4)CC3(C)C)cc2)CC1	800894483	XJPXPQXOICJUNM-VWLOTQADSA-N	406.618	3.829	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC)c(OC)c1	802610250	XFRDWJYUQKMIJO-UHFFFAOYSA-N	400.475	3.567	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1nc(C)cs1	804887107	FWNQYMDGUIDRQE-KRWDZBQOSA-N	413.499	3.546	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](C)c3c(F)cncc3F)cc2F)C[C@@H](C)O1	804968426	DFMPBROHVKGDNQ-MJBXVCDLSA-N	422.451	3.673	10	20	HHCD	
CC[C@@H](NCCNS(=O)(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1O	806133511	AGXBIDCEKYABBY-MRXNPFEDSA-N	403.331	3.718	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc(N2CCOCC2)cc1	806542530	UVZPIQOWMBNVAR-DCLXLUIPSA-N	422.573	3.546	10	20	HHCD	
CCOCc1cc(CN[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)ccc1OC	808423333	YJTIAZZZLBFXOH-QGZVFWFLSA-N	402.457	3.655	10	20	HHCD	
Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	810416192	REPRTOKGFWOJAA-UHFFFAOYSA-N	422.190	3.676	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)cc2)CC1	811877572	POPYSYYNEJRJLY-HXUWFJFHSA-N	401.942	3.929	10	20	HHCD	
COCCOCc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1	812481836	RHENIYUUHYBUDU-UHFFFAOYSA-N	423.557	3.634	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)CC2)cc1	812494656	OOPYMYHUSGNVMR-GOSISDBHSA-N	408.546	3.725	10	20	HHCD	
CC(C)[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)N1C(=O)c2ccccc2C1=O	813683775	CKYJNZQGSTUSEN-INIZCTEOSA-N	421.280	3.636	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCN(C)C(=O)C2)c(C)n1-c1ccc(C(C)C)cc1	912704680	SWBYHGLBQAWDSX-IBGZPJMESA-N	410.514	3.812	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCCc2ccccc21	918117309	KCOUWUHUXPQJIV-NZQKXSOJSA-N	420.557	3.607	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@](O)(C3CC3)C2)c(C)n1-c1ccccc1Br	1320973049	PORZHOQALVCSCX-FQEVSTJZSA-N	403.320	3.844	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)NC1(C2CC2)CCOCC1	1324002821	AQSZCMAPRGYWBK-MRXNPFEDSA-N	409.477	3.515	10	20	HHCD	
O=C(Nc1ccnc(Cc2ccccc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	1325187101	HRYNJQZMBGRWRC-FQEVSTJZSA-N	418.497	3.986	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)C1CCN(C(=O)/C=C\c2ccccc2)CC1	1344042917	RASGTESJMWHNHS-TWGQIWQCSA-N	410.861	3.767	10	20	HHCD	
C[C@@H](NC(=O)N1CC=C(c2ccc(O)cc2)CC1)c1ccc(N2CCOCC2)cc1	141050834	PPMSJORVUXRLIF-GOSISDBHSA-N	407.514	3.789	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2sccc2Br)cc1	195537578	FSERYMZYURNIGY-UHFFFAOYSA-N	403.367	3.835	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)n(C)c2ccccc12	472782437	DFAIAMIFJQUVKF-UHFFFAOYSA-N	420.513	3.726	10	20	HHCD	
CN(C)CCOc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	726093715	IVSJPSXSXKGLJZ-UHFFFAOYSA-N	423.513	3.838	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)CC2)cc1	726707698	APKFUCJSYSFXCH-QHCPKHFHSA-N	410.562	3.575	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cnn(-c3ccccc3)c2)SC1=S	727177153	WVRSZOUZQMISGW-YVLHZVERSA-N	400.573	3.661	10	20	HHCD	
CCOC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c1	727250964	NTZLDHOYPAFEJI-UHFFFAOYSA-N	418.496	3.796	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3cccc(OC)c3)cc2F)CC1	730121696	XRQAGFUULIZNBB-QGZVFWFLSA-N	414.525	3.537	10	20	HHCD	
CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	731977655	PBYZDAURVSRMEV-GHTZIAJQSA-N	411.571	3.575	10	20	HHCD	
O=C(NCCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccc(F)c1	732229581	LGMYMONQLXHQNA-UHFFFAOYSA-N	414.481	3.634	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@@H](c3ccccc3)C[C@@H]2C)c1	734477923	VKPADRMCSKFRFQ-AVRDEDQJSA-N	408.542	3.805	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]1c1c(F)cccc1F	734867504	OOZKMENIEQULGE-WIYYLYMNSA-N	415.484	3.529	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=S)NCCCN(C)c2ccccc2)c1	737452996	SRSNRACMRYYERT-UHFFFAOYSA-N	420.604	3.651	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnn(-c3ccc(F)cc3)n2)cc1	737492640	GLWKAOQORHPZNB-UHFFFAOYSA-N	419.460	3.908	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)ccc1OC	740604563	IEWXFENCNROXEC-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1	740919714	JOVARMMYWIUNAC-UHFFFAOYSA-N	410.949	3.744	10	20	HHCD	
COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CC1=O	742476167	ZBNMZCXNCDSFCX-FQEVSTJZSA-N	421.541	3.663	10	20	HHCD	
CCCc1nnc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	743076366	GKSOLLVCNGXHKL-LBPRGKRZSA-N	411.478	3.883	10	20	HHCD	
CCOC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	743340852	CKFGQEJHWLYFIF-IBGZPJMESA-N	401.551	3.940	10	20	HHCD	
Cc1nnc(-c2ccc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)o1	747566526	RAWPQFVNIXUNHK-HNNXBMFYSA-N	407.474	3.764	10	20	HHCD	
C[C@H](NCc1nc2ccccn2c1Br)c1ccc(N2CCOCC2)cc1	748438777	GABNJZOYQRHTIV-HNNXBMFYSA-N	415.335	3.784	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1	748485580	LXTNLKOTHZWVTJ-UHFFFAOYSA-N	421.419	3.656	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)c(OC)c1	752123324	RSFKPQWSEXIJGC-LJQANCHMSA-N	414.502	3.521	10	20	HHCD	
CCOc1cc(Cl)ccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	752227741	ZNJMYRLDIGJXFO-UHFFFAOYSA-N	417.937	3.917	10	20	HHCD	
CC(C)(C)OCc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1	752725986	KTZDPHZBGQQMFD-UHFFFAOYSA-N	407.561	3.695	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	753640258	NAAWVDJUWUVWED-FORGLYIRSA-N	408.336	3.879	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C[C@@H](C)Cc3ccccc3OC)CC2)cc1F	753739834	ZAASQJPGMUJMDE-KRWDZBQOSA-N	400.494	3.760	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CO[C@H]2CCOC2)c(C)n1-c1cccc(Br)c1	753787220	QVMKTVRDSTYTMM-ACJLOTCBSA-N	421.335	3.780	10	20	HHCD	
COc1cc(C[C@@H](CO)CN[C@H](C)c2cc(Br)ccc2O)cc(OC)c1	756638016	QGNXGZFCGREDBX-UKRRQHHQSA-N	424.335	3.674	10	20	HHCD	
COCCOC[C@H](C)N[C@@H](C)c1cc(Br)cc(Br)c1O	756732068	GTBHLJVTYMIFLX-UWVGGRQHSA-N	411.134	3.619	10	20	HHCD	
C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2)cc1	757677124	YFLGVBIOERXXJM-KRWDZBQOSA-N	417.531	3.710	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2cc(Br)cn2C)cc1	758703471	VDBUCJOZPVYRGS-UHFFFAOYSA-N	407.356	3.975	10	20	HHCD	
CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759236251	AZWUIDBGHKOFGM-WMZOPIPTSA-N	405.539	3.513	10	20	HHCD	
CCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1	759473008	MNYAAWCDKLWMMX-IBGZPJMESA-N	400.504	3.550	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc(Br)cc3)CC2)cc(OC)c1OC	759880187	YUAIEQVDHBAYKM-UHFFFAOYSA-N	421.335	3.797	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)c2C)cc1	762248294	LOWXFUPEAIYYQC-LJQANCHMSA-N	409.530	3.624	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)c(F)c1	765322877	NDWYJRXDWHDRAZ-AEFFLSMTSA-N	416.493	3.635	10	20	HHCD	
CN(C)c1nnc(-c2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cc2)o1	767871766	GYICQAYRYNTXLD-UHFFFAOYSA-N	404.474	3.501	10	20	HHCD	
CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(N2CCOCC2)c(F)c1	768179280	ACQKUVQQQYZWGZ-UHFFFAOYSA-N	403.473	3.651	10	20	HHCD	
O=C(CCC(=O)c1ccccc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768913393	ZEYDGPCHYYLZIR-LJQANCHMSA-N	400.906	3.789	10	20	HHCD	
C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769669140	UPKXFFANHWMIJW-CZUORRHYSA-N	408.545	3.905	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	771984044	BGSCEEMTQDXXJN-PKOBYXMFSA-N	414.550	3.650	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cccc(CNC(=O)OC(C)(C)C)c2)c1O	774936553	YGSIBFWQXVNXGV-UHFFFAOYSA-N	403.435	3.946	10	20	HHCD	
CC[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(Br)ccc1O	775502201	PZFSCXVYUMUYDI-YVEFUNNKSA-N	416.262	3.914	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H](OC)c3ccccc3F)CC2)cc1	775770850	SMAJRMOOXZRWFR-AOMKIAJQSA-N	415.509	3.879	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccccc2Cn2cncn2)c1O	779002539	ISFQAIGHCAGLQR-AWEZNQCLSA-N	401.308	3.954	10	20	HHCD	
COc1ccc(Cn2ccc(NC(=O)NCc3c(O)ccc4c3CCCC4)n2)cc1	779509826	NXMCEJWKBMJGTP-UHFFFAOYSA-N	406.486	3.846	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)OCc3ccccc3)cc2F)C[C@@H](C)O1	779629187	OZPORFQDPAAXFM-IAGOWNOFSA-N	401.482	3.713	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)ccc3Br)c2)CC1	781046299	BYFOZGVOZHNVNX-UHFFFAOYSA-N	420.282	3.509	10	20	HHCD	
O=C(/C=C\c1ccc(O)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	781076701	WVPYIZSZAGSRIK-BAQGIRSFSA-N	406.404	3.577	10	20	HHCD	
CC[C@@H](NC(=O)CN(C)c1ccc(OCC(=O)OC)cc1)c1ccc(Cl)cc1	784559433	SCSYGWNSSDLMGZ-LJQANCHMSA-N	404.894	3.596	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1n[nH]c2c1CCCCC2	788885030	GVWCQAKTICNBGN-AWEZNQCLSA-N	404.461	3.679	10	20	HHCD	
COc1cc(Cl)cc(CN(CCO)Cc2ccc(Br)s2)c1O	792196594	NXMRKJFFZYMOSZ-UHFFFAOYSA-N	406.729	3.873	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@]2(CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)C2)C1	793604751	MOXVEBCCBACWJN-LJQANCHMSA-N	411.886	3.787	10	20	HHCD	
COc1ccc(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c(O)c1	794387037	CKWCCXSSEOHUTB-UHFFFAOYSA-N	401.850	3.743	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(O)c1	797390519	XHZJXOSJVQEFSK-UHFFFAOYSA-N	403.649	3.616	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc1F	803323523	FUKUVEKMDUZXMT-UHFFFAOYSA-N	424.520	3.703	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCCc2c[nH]c3ccccc23)cc1	805153013	VZAILQIDIMFNSS-UHFFFAOYSA-N	420.557	3.722	10	20	HHCD	
CC[C@H](NCc1ccccc1OCCN1CCOCC1)c1cccc(Cl)c1O	806134617	LTVSLTABWNNGEQ-FQEVSTJZSA-N	404.938	3.998	10	20	HHCD	
CCCN(C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCc2cccnc21	807677002	KHTVFMMDEMJMDA-DYESRHJHSA-N	408.546	3.641	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccc(C(C)C)cc1	807799021	BZIYFGCAGIOUTQ-SFHVURJKSA-N	402.560	3.772	10	20	HHCD	
O=C(Cn1c(S)nnc1-c1cccs1)NCc1cc(Cl)cc(Cl)c1O	807839496	NWDXUXJROHIGLF-UHFFFAOYSA-N	415.327	3.624	10	20	HHCD	
COc1cc(Br)cc(CNC[C@H](CO)c2ccc(Cl)cc2)c1O	808430244	DQNODYCEPDBYDR-CYBMUJFWSA-N	400.700	3.682	10	20	HHCD	
CC[C@H](c1ccc(OC)c(OC)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	813358035	WHPNJGLLJDHGDC-MRXNPFEDSA-N	418.877	3.978	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2(c3cccc(Cl)c3)CCCC2)c1	857470166	FFMLOUWGNYJGEG-UHFFFAOYSA-N	408.907	3.616	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2C)cc1	916102239	HIQKEJCSMDPZQR-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cncn3-c3ccccc3)cc2F)C[C@@H](C)O1	917711248	MQWFGEPYDYMDLF-CALCHBBNSA-N	408.477	3.555	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](c1ccccc1)c1ccccn1	918186609	NHLRFBQUYLTWEO-HSZRJFAPSA-N	420.488	3.646	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C3=NO[C@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1	919693013	XQXGDPGKYKZACP-MCFFVMPBSA-N	411.477	3.573	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc2c(c1)OCCO2	921205636	BNWNTSLBZPNVNL-UHFFFAOYSA-N	414.508	3.871	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccc(F)cc1NS(=O)(=O)c1cccc2nonc12	1260441047	JTFKCYFFPJBAGI-UHFFFAOYSA-N	408.411	3.510	10	20	HHCD	
COc1ccc(N2CCC3(CC2)NC(=O)c2cc(Br)ccc2N3)cc1	1327154301	WTWVIVRUFVALSL-UHFFFAOYSA-N	402.292	3.610	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1Nc1ccccc1	1337826031	FPZCXGXHJVYWKI-FQEVSTJZSA-N	420.465	3.746	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1N1CCCC1=O	10350248	QERYCXXYDCNMBG-UHFFFAOYSA-N	406.511	3.945	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1	26531385	IHWPIXKYXCXGLX-UHFFFAOYSA-N	408.546	3.720	10	20	HHCD	
O=S(=O)(CCN(Cc1cccs1)c1ccc2c(c1)OCCO2)c1ccccc1	72089621	ZYMVCEURJMPVDO-UHFFFAOYSA-N	415.536	4.000	10	20	HHCD	
Cc1ccc(C)c(N2N=C(C(=O)NCc3ccc(N4CCCC4)cc3)CCC2=O)c1	106158782	QIQNWGRGKBNGIF-UHFFFAOYSA-N	404.514	3.703	10	20	HHCD	
CSCc1nc2ccccc2n1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	109181072	OKMKLDBNPMNQDN-KRWDZBQOSA-N	424.570	3.613	10	20	HHCD	
Cc1cccc(N2CCN(CCCCNCc3ccc(N4CCOCC4)cc3)CC2)c1	237856300	ULMGUMIRNUFVIB-UHFFFAOYSA-N	422.617	3.524	10	20	HHCD	
COc1ccc(N2CCCN(CCC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1	255048699	RKFVAVZUFHIMMO-DEOSSOPVSA-N	407.558	3.791	10	20	HHCD	
Cc1nn(C(F)F)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	303127210	OMSOIUVYMJFDQN-LJQANCHMSA-N	420.504	3.711	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)c1C	303286733	GLZRERMUUPNPGE-UHFFFAOYSA-N	406.530	3.965	10	20	HHCD	
COCCCCN(Cc1ccccc1)C(=O)C(=O)NCc1c(C)c2ccccc2n1C	570842439	KRXXXHIDAZCSSQ-UHFFFAOYSA-N	421.541	3.558	10	20	HHCD	
COc1ccc(N(Cc2ccco2)S(=O)(=O)c2cccc3nsnc23)cc1F	606828636	ZAHCDFVFPBFCIZ-UHFFFAOYSA-N	419.459	3.828	10	20	HHCD	
Cc1cc(C(=O)NCC(=O)N(C)CCc2ccccn2)c(C)n1-c1cccc(Cl)c1	727406469	VVKPLIHBYCKPKS-UHFFFAOYSA-N	424.932	3.573	10	20	HHCD	
CCOc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1C	727613278	UAIWCIPYWJTKBX-UHFFFAOYSA-N	409.530	3.981	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	728519497	JJFMUIZWHSRRMV-NRFANRHFSA-N	411.502	3.752	10	20	HHCD	
CC[C@H](C)[C@H](C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CC1	729545896	YVTQHSKWVWUGKH-OKYOBFRVSA-N	419.585	3.955	10	20	HHCD	
Cc1cc(N2CCC[C@@H](OC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)nc(C)n1	731299772	OUFHPJCQAOFJIQ-LJQANCHMSA-N	405.502	3.722	10	20	HHCD	
CCOc1cc(CCCNC(=O)NCc2ccc(N(C)C)c(F)c2)ccc1OC	736402143	CUGJITLFEYNPSU-UHFFFAOYSA-N	403.498	3.731	10	20	HHCD	
CC(=O)N(Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1)C1CC1	741069963	MWJAKZUQTJJCOQ-UHFFFAOYSA-N	404.514	3.895	10	20	HHCD	
Cc1nc(SCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)sc1C	741855796	PUSFKXQFSVTTKK-BETUJISGSA-N	423.579	3.921	10	20	HHCD	
COc1ccc(COCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742800445	RFRYGDJECZYMCG-QGZVFWFLSA-N	420.456	3.598	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1	743954944	DMZSTZHFEJBBFK-UHFFFAOYSA-N	415.493	3.512	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCOc1ccc(Br)cc1	744295422	FJRQYBLGBKAVRQ-UHFFFAOYSA-N	406.324	3.736	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O	744878496	YRUIVUSZWOUWNQ-HSZRJFAPSA-N	420.557	3.619	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc2c(c1)OCO2	745346033	ASXGBIXDASGNCM-UHFFFAOYSA-N	421.291	3.658	10	20	HHCD	
C[C@@H]1c2cccn2CCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745904096	LPMMOADEEHMAAD-HZPDHXFCSA-N	404.461	3.845	10	20	HHCD	
CCO[C@@H](CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1	747498462	CBOBUVJTLHKTQC-GCJKJVERSA-N	403.567	3.869	10	20	HHCD	
Cc1c(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cccc1[N+](=O)[O-]	749259217	VIFWENIJVIZRGC-SFHVURJKSA-N	417.893	3.586	10	20	HHCD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405818	JMABUSLNLMADBU-LLBVYWAGSA-N	420.569	3.880	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCOc2cccc(F)c2)cc1	751403110	CIFLWTQNZXGRRB-JOCHJYFZSA-N	400.494	3.868	10	20	HHCD	
COc1ccc(N(C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)c(OC)c1	752123619	TZWCPUXTTSHTRV-ZDUSSCGKSA-N	407.308	3.780	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1	753645858	ZCMLDYWWNZCDAP-CQSZACIVSA-N	408.429	3.850	10	20	HHCD	
COc1ccc(N2CCCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)cc1	754020875	WGFTUYPCLBMFLV-UHFFFAOYSA-N	421.295	3.786	10	20	HHCD	
COc1ccc2c(c1)OC[C@H](C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C2	754542697	KGUKILQDVHQRKT-OAHLLOKOSA-N	413.429	3.660	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](O)COc2cccc(Cl)c2Cl)c1	756456030	LNTGVOKNSJXSER-YPMHNXCESA-N	414.285	3.576	10	20	HHCD	
COc1ccc(N[C@H](C)c2ccc(Br)cc2O)cc1NS(C)(=O)=O	756869408	VOHJMAFNXNZNPB-SNVBAGLBSA-N	415.309	3.708	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCCN(C(=O)Oc2ccccc2)CC1	759589394	ISCQYFMQWIZEQF-UHFFFAOYSA-N	420.560	3.542	10	20	HHCD	
CCN(CC)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccsc1	761006684	WQZNRNXWNNKTOE-KRWDZBQOSA-N	421.950	3.954	10	20	HHCD	
COc1cc(Cl)cc(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1O	761191035	HRMZRQBKTQEVLB-UHFFFAOYSA-N	409.313	3.595	10	20	HHCD	
COCCCCc1noc(CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1	761881682	WJROXMSZWZWBSM-OWBHPGMISA-N	423.585	3.934	10	20	HHCD	
CC(=O)Nc1c(C)cccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761983418	RLOLTVDZOPZBRV-SFHVURJKSA-N	415.921	3.707	10	20	HHCD	
Cc1c(C(=O)NCCc2ccc(O)c(O)c2)nnn1-c1ccc(-c2ccccc2)cc1	762275510	SIWVJBJJEMGSFT-UHFFFAOYSA-N	414.465	3.626	10	20	HHCD	
CCc1noc2ncc(S(=O)(=O)Nc3nc4c(s3)COc3ccccc3-4)cc12	762580015	XLYQDRKRBKGDNC-UHFFFAOYSA-N	414.468	3.602	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(I)ccc2C)c1	764322199	NNAFDONWKAEOFE-LLVKDONJSA-N	411.239	3.805	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(OCC(F)(F)F)cn1	765228102	RHLKDYBGHUBGRQ-UHFFFAOYSA-N	411.449	3.506	10	20	HHCD	
CCSc1ccccc1[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765977313	DTHVTLMDJLIZEA-QGZVFWFLSA-N	404.601	3.884	10	20	HHCD	
CC(C)c1nc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc(N(C)C)n1	767221325	KPQOJJCUJBXODR-UHFFFAOYSA-N	406.481	3.743	10	20	HHCD	
CN(Cc1cc(Br)ccc1O)C1CCN(C(=O)c2ccccc2)CC1	769234532	UGHGAPBQJWNYJN-UHFFFAOYSA-N	403.320	3.891	10	20	HHCD	
Cc1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1Br	771934753	FBBKNRUPLZKZDX-UHFFFAOYSA-N	409.349	3.836	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)nc1	773615302	VWZJHXDIXCLJNL-IEBWSBKVSA-N	409.534	3.577	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1)c1ccc(N(C)C)cc1	773845340	HKTIINGKTXTKLN-KRWDZBQOSA-N	421.497	3.878	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](O)[C@H](C)C2)c(C)n1-c1cccc(Br)c1	778255325	OTLIKSBEMGSPSY-YJYMSZOUSA-N	405.336	3.742	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)Cc3ccc(C)cc3)CC2)cc1	778554378	XMBIXFIQMVGTOT-NRFANRHFSA-N	409.574	3.511	10	20	HHCD	
CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	780896450	NLVNBLDSPWGWLR-FQEVSTJZSA-N	411.498	3.995	10	20	HHCD	
Cn1cc(-c2ccc(F)c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)cn1	782753436	DCPSLRQIQBBPHF-IBGZPJMESA-N	409.461	3.753	10	20	HHCD	
COC[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C[C@H](C)O1	783968199	OAPLGDOPWSMEJM-YJBOKZPZSA-N	409.482	3.710	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(Cc2ccccc2Cl)CC1	784070552	CCVBVEWUAAIMRH-UHFFFAOYSA-N	402.897	3.955	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccccc1OC1CCCC1)c1ccc(N(C)C)cc1	787207523	CYRNKTKILSSISC-QGZVFWFLSA-N	409.530	3.568	10	20	HHCD	
C[C@H](NC(=O)NCCc1ccccc1OC(F)F)c1ccc(N2CCOCC2)cc1	788094286	QXSHPRWOHPDOAG-INIZCTEOSA-N	419.472	3.728	10	20	HHCD	
C[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1O	788594486	NFJHCFQNVGIPDC-GFCCVEGCSA-N	403.422	3.544	10	20	HHCD	
CC(C)N1CCN(C2CCN(Cc3ccc(N(C)C)cc3C(F)(F)F)CC2)CC1	792833423	BMKCYHOVNYNGOR-UHFFFAOYSA-N	412.544	3.762	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c(O)c1	794380239	ADBOAADOUOZPKQ-UHFFFAOYSA-N	415.627	3.655	10	20	HHCD	
COCCCOc1ccc(CNCc2cc(Br)cc(OC)c2O)cc1	796450665	QEXOCEHZRTYYIZ-UHFFFAOYSA-N	410.308	3.868	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3ccccc3-n3ccnn3)cc2F)C[C@@H](C)O1	796695128	NVRAFPIFWVMRGU-KSZLIROESA-N	409.509	3.871	10	20	HHCD	
COc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1OC	796704170	XTGTYOYZYXBJSU-INIZCTEOSA-N	402.510	3.963	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl	797613010	OUZJFVVYMJJPCI-LBPRGKRZSA-N	403.866	3.631	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](C)c2nncn2C)c(C)n1-c1ccc(Br)cc1	797759284	ZEZFAEYXSWNVGH-LBPRGKRZSA-N	416.323	3.519	10	20	HHCD	
COc1cncc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)c1	799183113	BVROOYHFPOWFRP-UHFFFAOYSA-N	411.892	3.677	10	20	HHCD	
CCC[C@H](Cc1ccccc1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	804457664	AWFNYIKUIHLPEM-OAQYLSRUSA-N	407.558	3.771	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1c[nH]c2c(C)cccc12	805661806	GGRLKGXHJQFJCF-UHFFFAOYSA-N	407.514	3.670	10	20	HHCD	
CC[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc(Cl)c1O	806131457	JNUMJSWDXYHXCC-HXUWFJFHSA-N	401.938	3.674	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)Cc2cnc(N3CCOCC3)s2)cc1	809731817	SEMKSVOZHHMWAE-UHFFFAOYSA-N	412.559	3.841	10	20	HHCD	
CCCN(CCN1CCCCCC1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	812024098	IIJFXCXOIUVDIN-UHFFFAOYSA-N	416.610	3.962	10	20	HHCD	
CC1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]1[C@@H]1CCCO1	812067002	JCGMSPTWOVJPJJ-MNEFBYGVSA-N	423.504	3.856	10	20	HHCD	
COC(=O)c1cc(Br)cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	812449340	NLIQGTWGKZTZSS-UHFFFAOYSA-N	405.292	3.574	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1	915902276	WQXXHMIMZWDFHD-XMMPIXPASA-N	424.589	3.748	10	20	HHCD	
Cc1cccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C	917711758	VHPFBBLAMXIIST-CALCHBBNSA-N	400.494	3.751	10	20	HHCD	
CCc1ccc(C(=O)O)cc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	917861977	AWGDTOCNVWHAIP-UHFFFAOYSA-N	416.543	3.758	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)n1cnc2ccccc21	918139378	AQYXJLQOAJOIGR-ZACQAIPSSA-N	410.493	3.666	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(S)nnc1-c1cccs1	918658267	LHWRWIZMWNDFRC-UHFFFAOYSA-N	415.588	3.799	10	20	HHCD	
Cc1nccn1-c1ncccc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	919778346	IXLWRNIWEFUISZ-UHFFFAOYSA-N	404.518	3.516	10	20	HHCD	
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1	919786325	SRKJOCRNRBKIKY-KNQAVFIVSA-N	424.614	3.875	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Oc2ccccc2)nc1	919969330	JQKUJAPIRHQVQZ-UHFFFAOYSA-N	421.472	3.904	10	20	HHCD	
COc1ccccc1SCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	921264065	KUHRXISBGYJWKB-HZPDHXFCSA-N	418.534	3.856	10	20	HHCD	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1319716486	UZIGMMQPDUDHPY-YMGMXPECSA-N	403.567	3.508	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(n4cc(Cl)cn4)CC3)CC2)cc1	1325076644	KFXPOSTWUNHGOS-UHFFFAOYSA-N	417.941	3.561	10	20	HHCD	
CC1=C(Cl)C(C(=O)Nc2ccc(-c3ncco3)cc2C)=S=C1[S@](=N)(=O)O	1641432095	SSDQHOBIBBDSCR-UHFFFAOYSA-N	411.892	3.670	10	20	HHCD	
Cc1ccc(C)c(SCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	7101003	VQUSRMUXZLQVTI-UHFFFAOYSA-N	400.544	3.663	10	20	HHCD	
COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc(O)c1O	24034278	LCCAQOMBCQHKHJ-OAQYLSRUSA-N	406.394	3.606	10	20	HHCD	
CCOC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	72043652	MTQFFGPAANFNTE-LJQANCHMSA-N	401.551	3.940	10	20	HHCD	
OC1CCN(c2ccc(CNc3nn4cc(-c5cccnc5)nc4s3)cc2F)CC1	302119627	XLYMJCCVTMDYLS-UHFFFAOYSA-N	424.505	3.565	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccn(-c3ccccc3)n2)cc1	303154878	SEEMWDLSWUZJRJ-JOCHJYFZSA-N	404.514	3.760	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)cc1	725855618	CWWXPKYCKVNRLM-IBGZPJMESA-N	418.335	3.798	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(-n4ccnc4S)cc3)CC2)cc1	726561566	FAQNUUHEZHMILH-UHFFFAOYSA-N	408.527	3.568	10	20	HHCD	
COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	726620803	KKZNKWZNOILVJR-INIZCTEOSA-N	420.916	3.632	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C	726725858	GBBKSPARTKIBFA-UHFFFAOYSA-N	417.456	3.629	10	20	HHCD	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	727478230	OKNNPSAGTPBBSH-HXUWFJFHSA-N	424.589	3.878	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1	729063040	HMZZVUIUGWMGKA-GFCCVEGCSA-N	406.866	3.657	10	20	HHCD	
CC(=O)Nc1cccc(OCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	729614823	RKKCJBZPRDOPGY-UHFFFAOYSA-N	423.469	3.734	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)c1	732558553	BFXUCKLHFHQMRT-JOCHJYFZSA-N	408.590	3.643	10	20	HHCD	
C[C@@H](NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	734665251	XDHZROAUQOPHKP-HYBUGGRVSA-N	422.573	3.895	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F	741677995	HFGMVQUWETXPDW-OAQYLSRUSA-N	403.473	3.647	10	20	HHCD	
C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	742689042	CPUFGDBKRZYDMP-QGZVFWFLSA-N	412.505	3.560	10	20	HHCD	
COc1ccsc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742751346	SMTCFMWYHYAPNK-INIZCTEOSA-N	419.547	3.819	10	20	HHCD	
COc1ccc(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F	742800286	QJZLRYDZRBXKJX-HNNXBMFYSA-N	408.420	3.763	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)OCc2nn3c(=O)cc(C)nc3s2)c1	745241825	BVRCSWPVVWNFGL-UHFFFAOYSA-N	408.483	3.532	10	20	HHCD	
C[C@H]1CN(CCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)C[C@@H](C)O1	745425505	UAFRLZGGJITPCY-KDURUIRLSA-N	403.567	3.736	10	20	HHCD	
CCCN(C)C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	745799910	MSSVKCHKKAUJHU-KRWDZBQOSA-N	424.536	3.630	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)CCCCc3ccc(C)cc3)CC2)cc1	745866725	QOLAOPDLZNECTB-UHFFFAOYSA-N	409.574	3.655	10	20	HHCD	
CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccc(N3CCSCC3)cc2)CCC1	746832146	JTNMTVJEUSZWNS-UHFFFAOYSA-N	419.591	3.694	10	20	HHCD	
CC[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1ccccc1F	748978418	YMCCHQSDDOUHBT-FQEVSTJZSA-N	415.509	3.661	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@H](c2ccco2)C1	753941876	ZKWKPVHJHAHJAF-BEFAXECRSA-N	421.444	3.633	10	20	HHCD	
C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1O	756354845	JFEZAZBTWJFEDE-CZUORRHYSA-N	411.365	3.940	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)c1	756529789	VREXWBHCXSEEBS-XJKSGUPXSA-N	404.894	3.770	10	20	HHCD	
C[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(Cl)ccc1O	756685608	GJACBJZHMBLCLO-OAHLLOKOSA-N	408.951	3.797	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)c1	757730527	UJNROMGNFWPNPT-APWZRJJASA-N	414.502	3.827	10	20	HHCD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)NCCCSc2nccs2)c1	758603102	NEFFAFDLYPNMEM-UHFFFAOYSA-N	413.590	3.770	10	20	HHCD	
COc1cc(Cl)cc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1O	761196014	RWUBDMSJQCHSHX-UHFFFAOYSA-N	402.922	3.891	10	20	HHCD	
COc1ccc2c(c1)[C@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CC2	761572800	CJXLHWMLRDLOPO-GQIGUUNPSA-N	412.505	3.794	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H](O)c3ccc(OC(F)(F)F)cc3)CC2)cc1	765503766	LUZUJDZJTDZADR-FQEVSTJZSA-N	410.436	3.886	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc2cccnc12	768011476	AQHDECXUEZHXLU-UHFFFAOYSA-N	422.554	3.568	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3cn(C)c4cc(F)ccc34)CC2)cc1	770521026	LGWOCXHRVGKQMX-UHFFFAOYSA-N	424.520	3.837	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1	770721916	BTWYQSNIHTZCJG-KRWDZBQOSA-N	413.468	3.624	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@@H](OC)c3ccc(F)cc3)CC2)cc1	770833043	UNRCVYNRZONJCX-HTAPYJJXSA-N	415.509	3.832	10	20	HHCD	
CSc1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccn1	771941783	UHQOPORHVSNLFU-GJZGRUSLSA-N	418.538	3.556	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCSc1nccs1	772624426	QACIVIRUUDZJCB-UONOGXRCSA-N	414.597	3.713	10	20	HHCD	
Oc1cc2c(cc1CNC1(c3cccc(OC(F)(F)F)c3)CCOCC1)OCO2	775026871	ATWZOBHUSABYQL-UHFFFAOYSA-N	411.376	3.815	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C(=O)OCc2ccccc2)C(C)(C)C)c1O	775070141	WUFDGHCGWPXZBC-LJQANCHMSA-N	402.447	3.557	10	20	HHCD	
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775692864	HBTAKEKEPMCPFD-INIZCTEOSA-N	421.501	3.916	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1	776042892	UEWCLDJVQHZFEZ-UHFFFAOYSA-N	419.529	3.542	10	20	HHCD	
C[C@H](CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cc1	776332146	FXQNZCMJSZXQKP-GOSISDBHSA-N	423.511	3.975	10	20	HHCD	
C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(N2CCOCC2)c(F)c1	777704436	KERVCTXEFHTRQY-KURKYZTESA-N	414.525	3.844	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	780467583	DEJVGUATNBQVJH-SFHVURJKSA-N	404.555	3.650	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(N)cc1	783487673	YHSBIZIVSATJQG-OAHLLOKOSA-N	404.426	3.910	10	20	HHCD	
CC(C)(C)SCCSCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	783539469	QFQGFQANMADWBP-UHFFFAOYSA-N	400.585	3.543	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)c1ccco1	785550710	MVGXMJYSIPUQCE-QHCPKHFHSA-N	419.525	3.988	10	20	HHCD	
O=C(CC1CCC2(CC1)OCCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	788094266	QBDCNXRQTZDRET-KRWDZBQOSA-N	424.488	3.696	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1c(F)cccc1F)C1CC1	790241206	OZMJYXRDTBKWQD-UHFFFAOYSA-N	401.457	3.676	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)c1	792238349	QUBYVBANXWOVQV-ZDUSSCGKSA-N	401.463	3.563	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H](C)c1ccc(Cl)cc1	792977580	MDHZCEBEUSSVHL-IRXDYDNUSA-N	406.979	3.857	10	20	HHCD	
COc1ccc(CNC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)c(O)c1	794380624	FRWZSHQJCISOOZ-UHFFFAOYSA-N	406.523	3.882	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1	799885169	BOTLNSJGQVAMOY-HSZRJFAPSA-N	418.541	3.935	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccc(C[S@](C)=O)cc1	807555261	ALDSEGWLTMDXEH-LJAQVGFWSA-N	413.587	3.897	10	20	HHCD	
Cc1nc(COc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)no1	807839887	TVOQZKGLIBOOJL-UHFFFAOYSA-N	408.241	3.899	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3	808009889	BTMZWEJHZWMPTK-LBPRGKRZSA-N	412.536	3.822	10	20	HHCD	
CON(C[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	812009293	NLQUSMQHQYFVDG-FUHWJXTLSA-N	407.530	3.686	10	20	HHCD	
CCc1nc2ccc(Cl)cn2c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	812483859	INLGKYKBPLXQPU-OAHLLOKOSA-N	412.921	3.878	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NCc1cc(Cl)cc([N+](=O)[O-])c1O	813787129	WRQBHGIHGYDYSO-HNNXBMFYSA-N	411.886	3.833	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	813807190	KQYYBKAQOGAURZ-IBGZPJMESA-N	416.566	3.684	10	20	HHCD	
O=C(N[C@H]1CCN(c2ccccc2F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	813854720	GXPRKJJQUSXNOR-OALUTQOASA-N	413.493	3.501	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H](c1ccccc1)C1CC1	814422427	RPJVDWWYEMRRQH-XMMPIXPASA-N	407.558	3.888	10	20	HHCD	
CC(C)n1ccnc1SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	814639307	LUXWWPMXKKKUIP-UHFFFAOYSA-N	405.479	3.970	10	20	HHCD	
OC[C@H](CNCc1cc(Cl)c(F)cc1O)Cc1ccc(Br)cc1	816591940	RZJWLIXXDMPNIA-LBPRGKRZSA-N	402.691	3.888	10	20	HHCD	
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(Cc3ccc4ccccc4c3O)C2)CC1	816609616	HNVVPEZCCMJHBO-FQEVSTJZSA-N	411.546	3.672	10	20	HHCD	
O=C(NCc1cccc(CN2CCCC2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916402526	SRVNZAARNSDHKI-QHCPKHFHSA-N	423.557	3.879	10	20	HHCD	
O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(O)c(O)c1	916590739	KDIXILHFBDWRDS-UHFFFAOYSA-N	414.417	3.990	10	20	HHCD	
Cc1ccc([C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C2CC2)cc1	918121180	DWFMAOAWOKYJIM-GMAHTHKFSA-N	420.557	3.647	10	20	HHCD	
O=C(CSc1ccc(Cl)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	919969006	APGQBIFHKGCAJB-UHFFFAOYSA-N	408.926	3.849	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@@H]2OCCC[C@H]2C1	1203562967	RQVKXIDPVJEYOW-HZMBPMFUSA-N	405.130	3.918	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OCC2CC2)nc1	1252200542	XTTNIWMQPFQYRL-QGZVFWFLSA-N	417.456	3.871	10	20	HHCD	
C[C@@H](NCc1cccc(CN2CCN(C)CC2)c1)c1cc(Br)ccc1O	1320118569	NBRKLTNAOMJGBK-MRXNPFEDSA-N	418.379	3.753	10	20	HHCD	
C/C=C(\C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CCO2	1783072647	OEQWLNILEJLTDW-IWHNFWPPSA-N	421.541	3.504	10	20	HHCD	
O=C(CSc1nccn1C1CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	11891737	PKVDFIDSJSORDB-UHFFFAOYSA-N	403.463	3.724	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccc3ncsc3c2)n(C)c2ccccc12	512087450	GIZKXLLQZPVTJU-AWEZNQCLSA-N	406.511	3.590	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(COc3ccccc3)C2)C1	566581498	NOAHXPPKRPOYAU-UHFFFAOYSA-N	417.553	3.945	10	20	HHCD	
C[C@H]1CN([C@H](CNCc2cc([N+](=O)[O-])ccc2O)c2c(F)cccc2Cl)CCO1	725845862	KLOGRUCRDYTOLG-SCLBCKFNSA-N	423.872	3.645	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCCN(CCCc3ccccc3)CC2)cc1F	726250404	VSQQDPWIEUNYPV-UHFFFAOYSA-N	412.553	3.742	10	20	HHCD	
CC[S@@](=O)c1ccccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565215	GXOHYAZTRHJKBW-GDLZYMKVSA-N	422.497	3.814	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccc(OC)nc2)C1=O	726986778	XREHEFVLAJRYAQ-OQLLNIDSSA-N	417.468	3.803	10	20	HHCD	
COc1ccc(C2(NC(=O)NCc3ccc(N4CCOCC4)cc3)CCCC2)cc1	728750711	QSRJLBWLOLVADC-UHFFFAOYSA-N	409.530	3.801	10	20	HHCD	
C[C@@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)NC(=O)NC(C)(C)C	729588624	YECZUHLHJBHMTR-CYBMUJFWSA-N	412.446	3.977	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccc(OC)cc3)cc2F)CC1	730123944	ZYPJVPCVZHVMMP-QGZVFWFLSA-N	414.525	3.537	10	20	HHCD	
CCCc1nc(C)c(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)s1	730192688	KPNGDXHHFAWMHR-UHFFFAOYSA-N	404.555	3.615	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	731976297	VNMDBQURHSTWCZ-BETUJISGSA-N	421.856	3.931	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1F	732919222	WPGVXXKGRSUWFW-KRWDZBQOSA-N	409.484	3.932	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1	734017635	SKKNOTBSDUYQLG-UHFFFAOYSA-N	401.850	3.743	10	20	HHCD	
C[C@H](CN1CCN(c2ccccn2)CC1)NCc1cc(-c2ccccc2)ccc1O	735509416	YQURRQUFSWJMQL-HXUWFJFHSA-N	402.542	3.755	10	20	HHCD	
CCc1nc2cc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)ccc2o1	737192497	ZWXMQHYQGGILPB-UHFFFAOYSA-N	420.513	3.881	10	20	HHCD	
C[C@]1(C(=O)NCCCSc2nccs2)CCCN(C(=O)c2ccccc2)C1	742074502	KQCPXKXZZJMRCP-FQEVSTJZSA-N	403.573	3.684	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(OC(F)F)cc1	743472910	SBFYPKFHOWEEIL-YJBOKZPZSA-N	403.473	3.841	10	20	HHCD	
CCCN(Cc1cc(O)n2ncc(C(=O)OCC)c2n1)[C@H](C)c1ccccc1OC	746145882	URPRHRBTHJDMEW-OAHLLOKOSA-N	412.490	3.593	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1F	746718796	OZMUYMUPIXJHOD-UHFFFAOYSA-N	412.509	3.517	10	20	HHCD	
CC[C@H](C(=O)N1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1)c1ccccc1	749191007	OBULACUWLLQZGY-QHCPKHFHSA-N	422.573	3.737	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C	751386559	IYDUOTDEXFHZJT-HOYKHHGWSA-N	419.569	3.685	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1	751463763	OVHOMBXEPCDOBR-UHFFFAOYSA-N	410.486	3.552	10	20	HHCD	
CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCCC[C@@H]1C	751929680	AYFAHSRECHZEBT-YWZLYKJASA-N	415.559	3.899	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1csc(Cc2ccc(N)cc2)n1	751936858	MULKEYGBKONFNW-INIZCTEOSA-N	417.531	3.872	10	20	HHCD	
Cc1ccc(Cl)c(OC[C@H](O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1	754067730	PTQIUNNMYDEHKA-MOPGFXCFSA-N	405.922	3.775	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cncc(Cl)c3)n2)cc1	754695425	YFQWAXHRYKINRQ-UHFFFAOYSA-N	408.892	3.618	10	20	HHCD	
C[C@@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)ccc1O	756783603	GFEXPEROMARUFY-GDBMZVCRSA-N	403.320	3.854	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCC[C@@H]3CCCCO3)cc2F)C[C@@H](C)O1	760654886	FEBMCHGVQHLFEF-LMMKCTJWSA-N	407.530	3.588	10	20	HHCD	
Cc1cc(C(=O)NCC2(O)CCN(C(C)C)CC2)c(C)n1-c1cccc(Cl)c1	760897878	ZXZFXIVUNFBKFS-UHFFFAOYSA-N	403.954	3.713	10	20	HHCD	
C[C@@H](c1ccccc1)N1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761149248	FIBVNINQGDJEOZ-KXBFYZLASA-N	413.905	3.645	10	20	HHCD	
COc1ccccc1C1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1	761207638	GRHHBMDHLHSFMO-UHFFFAOYSA-N	400.862	3.550	10	20	HHCD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)c1ccc(OC(C)C)cc1	763541981	CCMSXFPJRQSDNZ-INIZCTEOSA-N	411.955	3.628	10	20	HHCD	
COc1ccc(-c2csc(NS(=O)(=O)c3cn(C)c(Cl)n3)n2)cc1Cl	764527725	RGWIMPIWUCTAHK-UHFFFAOYSA-N	419.315	3.660	10	20	HHCD	
O=C(CCn1cnc2ccccc21)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768913920	BFPLQULETDVDET-SFHVURJKSA-N	412.921	3.566	10	20	HHCD	
COC(=O)Nc1ccccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768916508	RTHNIKAGZRQWCE-INIZCTEOSA-N	417.893	3.618	10	20	HHCD	
CCc1nc(-c2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)n[nH]1	771010753	ZONQNJCNYPISHI-IBGZPJMESA-N	406.486	3.561	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(C(F)(F)F)cn1	771059010	PBTHXHPRIYCERP-HNNXBMFYSA-N	413.827	3.854	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@H]1CCN(C)C1=O	772230304	INUGZMPNSGZKCP-AEFFLSMTSA-N	419.447	3.776	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@H](CN3CCOCC3)C2)cc1	772699561	BDZKEBKQPRXTPR-LJQANCHMSA-N	421.545	3.962	10	20	HHCD	
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1=O	773740553	QKAPLWPEGMWQGP-LZLYRXPVSA-N	410.514	3.712	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nccnc1-c1nc2ccccc2s1	773762992	PXYYCRSPVIGQQV-GFCCVEGCSA-N	406.467	3.526	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2Cc1nc(O)c2ccc(C(F)(F)F)cc2n1	774753807	PPJDMZCINNOSRJ-UHFFFAOYSA-N	404.392	3.819	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C	775616081	QBRBMXWVPPSLSY-HNNXBMFYSA-N	404.536	3.705	10	20	HHCD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1cccc(Cl)c1O	775643572	RBNDQVBRINMOBT-QGZVFWFLSA-N	405.878	3.725	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@H]1CCN(Cc2ccccc2)C1	778799967	KMGGRIWYQJTTJJ-NQIIRXRSSA-N	407.558	3.981	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2ccc(N3CCCCC3)cc2)C1	780504164	LUWGSNMLCWBVAO-RDPSFJRHSA-N	413.562	3.940	10	20	HHCD	
COCCN(Cc1c(C(F)(F)F)nn(C)c1Cl)c1ccc(OC)c(OC)c1	782487422	HGRFXBFDHZEBPC-UHFFFAOYSA-N	407.820	3.763	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc([S@@](C)=O)c1)c1ccc(N)cc1	783487655	XYNBHQQUMCMMKD-XHDOVSQSSA-N	421.522	3.739	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c(C(=O)OCC)c1	784025379	BBWCBWXKRCAKMY-UHFFFAOYSA-N	418.877	3.600	10	20	HHCD	
CCc1cccc2c(CCNC(=O)C(=O)NCc3ccc(N(CC)CC)cc3)c[nH]c12	788954295	JTEQOVHWQGBPAQ-UHFFFAOYSA-N	420.557	3.552	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1	800637476	ZMKIKLNXMYPSSM-CQSZACIVSA-N	400.910	3.535	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)c(Cl)cc1OC	802610370	WMRWYNHPHGQURK-UHFFFAOYSA-N	420.893	3.830	10	20	HHCD	
COc1ccc(O)c(CNc2ncnc(CC(C)C)c2I)c1	804458485	JGAHFLJPWSQGSJ-UHFFFAOYSA-N	413.259	3.606	10	20	HHCD	
CC[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1cc(Cl)cc(Cl)c1O	806133326	LEHJLYCSPNPQFD-SJLPKXTDSA-N	405.391	3.948	10	20	HHCD	
CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	807862411	PJAHOCCQXRFTFZ-GOSISDBHSA-N	411.546	3.513	10	20	HHCD	
COc1cccc(O)c1CN(CCn1ccnc1)Cc1ccc(Br)o1	809753662	WUSRFLHNIHAXPD-UHFFFAOYSA-N	406.280	3.655	10	20	HHCD	
CCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CCc1ccccc1	812059312	YPULWYCKEVMRKN-UHFFFAOYSA-N	405.546	3.809	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)c1	814449314	JRTHPMCYLUORGI-GJZGRUSLSA-N	413.474	3.869	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](N[C@H](c3nc[nH]n3)c3cccs3)C2)cc1	815584853	QRAKJFXAAYIDJZ-GUYCJALGSA-N	405.474	3.816	10	20	HHCD	
COCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1	914850418	JSWQJVQORWVHJR-UHFFFAOYSA-N	418.496	3.529	10	20	HHCD	
Cc1nc(CN2CCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cs1	915265955	WCATYAVZFGVGET-UHFFFAOYSA-N	412.534	3.956	10	20	HHCD	
O=C(NCc1ccccc1CN1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	916221660	VVSVANDTEOXASI-HSZRJFAPSA-N	423.557	3.879	10	20	HHCD	
CCOc1ccc(CN2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1	916586790	BVKFBZSJYXSTSW-UHFFFAOYSA-N	422.573	3.713	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CCCc4ccccc43)cc2F)C[C@@H](C)O1	916968149	PPNZYGCHBZXOKO-HDICACEKSA-N	411.521	3.508	10	20	HHCD	
CC(C)n1ccnc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	917206288	PBKUMAGMJAJGEB-IYBDPMFKSA-N	420.554	3.625	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)c1ccc2c(c1)OCCO2	918658383	OTQRSAVOEINJLD-UHFFFAOYSA-N	410.514	3.924	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1	919691512	XHAHNWMYSQECQD-INIZCTEOSA-N	406.313	3.729	10	20	HHCD	
Cc1cc(-c2nnc(CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)o2)c(C)n1-c1ccccc1	1117165261	PWRQVRBEPUBVTO-KDURUIRLSA-N	418.497	3.862	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@H](O)c3c(Cl)cccc3Cl)cc2F)CC1	1261232895	YCBIVTQFXSRFAK-IBGZPJMESA-N	412.336	3.708	10	20	HHCD	
C[C@H](NC(=O)N1CCC(Oc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	65433874	TVDUHRAOQNBMKL-IBGZPJMESA-N	409.530	3.837	10	20	HHCD	
COCCCOc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65466490	NRIKVFIQANASNC-GOSISDBHSA-N	413.518	3.821	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	96505921	IBIHIPJVDDCCCQ-UHFFFAOYSA-N	417.333	3.531	10	20	HHCD	
CCN(C)[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1	110740299	CYYAQQMSFLDAGZ-IXFSTUDKSA-N	413.537	3.749	10	20	HHCD	
COC(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc1C	301937857	SCEROJICTYCNSY-UHFFFAOYSA-N	409.408	3.644	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(NC(=O)NCc3c(C)c4ccccc4n3C)CC2)cc1	471821002	PBGBQDTXEGDREH-UHFFFAOYSA-N	418.541	3.899	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](n4cc(Cl)cn4)C3)ccc21	558561855	AMDFFLHEQGHMFA-SFHVURJKSA-N	400.910	3.842	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1	727245090	UJVURWPSUIRIDH-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1	727730772	MSTDNIKMRNQIMZ-LPHOPBHVSA-N	421.607	3.795	10	20	HHCD	
CC[C@H]1CCCCN1C(=O)COC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	728636865	DBXGKFGAUOKMEX-IBGZPJMESA-N	400.519	3.852	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)c1	729035486	KRZFXUYEHJWVCW-NSHDSACASA-N	421.379	3.883	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3ccccc3OC(C)C)cc2F)CC1	730193972	XDQRJVCWBXAZRL-UHFFFAOYSA-N	413.537	3.614	10	20	HHCD	
COC(=O)C(C)(C)N(C)C(=O)c1cc(C)n(-c2ccccc2Br)c1C	731006642	PEAGXINAIGOECU-UHFFFAOYSA-N	407.308	3.880	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3nc(Cc4ccccc4)no3)cc2)CC1	731115718	HGNIIOLSDAUHPY-UHFFFAOYSA-N	419.529	3.896	10	20	HHCD	
Cc1nc(CN2CCN(C(=O)c3cc(C)n(-c4cccc(C(C)C)c4)c3C)CC2)no1	732765703	XNYUGNBFPOSNKC-UHFFFAOYSA-N	421.545	3.867	10	20	HHCD	
O=C1CCSc2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2N1	735518347	IWCWZONMTPBYSA-QGZVFWFLSA-N	412.511	3.648	10	20	HHCD	
CN(CC(=O)Nc1ccc(SC(F)F)cc1)Cc1ccc(N2CCOCC2)cc1	741730375	PPQFXJMFGTYFIP-UHFFFAOYSA-N	421.513	3.908	10	20	HHCD	
COc1cc(N(C)C[C@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)cc(OC)c1OC	741807660	YHWGZWQTUSTBDS-YTQUADARSA-N	405.535	3.519	10	20	HHCD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	741924076	DDFRMAHLVVVZHY-AWEZNQCLSA-N	420.504	3.602	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c(C)n1-c1ccc(Cl)cc1	742761659	JUQYBHKSECQSHD-HXUWFJFHSA-N	401.938	3.684	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1	743046940	RZDDPKGHMJVTFI-UHFFFAOYSA-N	405.501	3.803	10	20	HHCD	
CC1(C)CC(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC(C)(C)N1	743523587	BDJDVYGUQCHQBZ-HNNXBMFYSA-N	424.536	3.865	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Oc1cccc(Cl)c1	743555165	RIRUWBDZCLHTHD-HNNXBMFYSA-N	421.900	3.582	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1F	745788458	KYICRGCXJYHLQH-QGZVFWFLSA-N	418.900	3.540	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3ccc(N4CCOCC4)nc3)c2C)c1	749339076	WRUSFHWKMWOJCR-UHFFFAOYSA-N	418.541	3.873	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(I)c(Cl)c2)c1	750235750	KZUGWTNKIZABMW-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CC[C@@]3(C)CCC(=O)N3)c2C)cc1F	751524179	YZHQMYWZYOAORY-HSZRJFAPSA-N	414.477	3.716	10	20	HHCD	
C[C@H](NC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	754847490	LJOPLUCECJVGJA-BTYIYWSLSA-N	422.447	3.627	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cccnc2I)cc1	757710295	WZTGYRCZWZQBBA-UHFFFAOYSA-N	423.298	3.805	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)cc(OC)c1OC	759223967	XQEZKOZIHDZXFD-UHFFFAOYSA-N	404.894	3.637	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2c([nH]c3ccccc23)C1	759287442	QUZBRRKMBCVUTM-UHFFFAOYSA-N	422.504	3.536	10	20	HHCD	
C[C@@H]1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCS1(=O)=O	760789217	GIRGNZOEZZNWAE-MRXNPFEDSA-N	414.531	3.817	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1Cn1cccn1	761984079	VZMAFMRKARDXGS-HXUWFJFHSA-N	424.932	3.685	10	20	HHCD	
CN1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC[C@@H]21	766581946	HBYBBKHWDVTUNV-UTKZUKDTSA-N	405.502	3.983	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)nc(O)n2CC(F)(F)F	768160535	WUZHHKCFVQPQSG-UHFFFAOYSA-N	419.403	3.819	10	20	HHCD	
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1NC(=O)CN1CCCCC1	770541755	XCHOFLCWAMKUAC-UHFFFAOYSA-N	422.573	3.868	10	20	HHCD	
COc1ccccc1CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771053973	RVWFEGNHNAYHJT-LJQANCHMSA-N	402.922	3.768	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(c3ncccn3)CC2)cc1	771997797	GDBJTHBYOMCDPQ-UHFFFAOYSA-N	415.501	3.920	10	20	HHCD	
Cc1cccc(C(=O)N2CCCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)c1	773621342	XLALIPDNXZKHPT-LJQANCHMSA-N	408.546	3.680	10	20	HHCD	
CC(=O)C[C@@H]1COCCN1C(=O)c1cc(C)n(-c2ccccc2Br)c1C	773882833	NDJISGJUCZXQNC-MRXNPFEDSA-N	419.319	3.677	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2cc(Cl)c(Cl)cc2O)cc1	774144452	XZJQJFKUMVDHAD-LBPRGKRZSA-N	403.331	3.637	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2c(O)ccc3oc4c(c23)CCCC4)CCO1	774644568	CISSXTVDJWGJSI-OAHLLOKOSA-N	416.518	3.743	10	20	HHCD	
Cn1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1-c1ccccc1	775543752	XSCNWCXLPMUVBQ-LJQANCHMSA-N	424.932	3.841	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(Cl)cc(F)c2O)s1	776080559	KVPRRAWNFQPDGK-UHFFFAOYSA-N	406.932	3.567	10	20	HHCD	
COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1	777665962	SOHFDCXZRDFFIX-UHFFFAOYSA-N	423.541	3.779	10	20	HHCD	
COC(=O)COc1cccc(CN[C@H](C)c2cc(Br)cc(C)c2O)c1	779030607	CDCSHHQUNIZGOF-CYBMUJFWSA-N	408.292	3.866	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnn(-c2ccccc2Br)c1	779484280	AZPSXXPTRCXAEP-VURMDHGXSA-N	400.232	3.698	10	20	HHCD	
CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@H](C)c2ccccc2O)CC1	783516115	AHRQLESBOCBPGL-GOSISDBHSA-N	402.560	3.805	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(OC4CCCC4)c3)cc2)CC1	786259562	RAVXGIIBXBEGPJ-UHFFFAOYSA-N	421.541	3.607	10	20	HHCD	
COC(=O)c1cccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)n1	786761606	CDMYVIQNLVKQNS-UHFFFAOYSA-N	405.410	3.827	10	20	HHCD	
CCOc1ccccc1[C@@](N)(C(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F	787992489	NPHMTHPERVPKLI-OAQYLSRUSA-N	421.463	3.718	10	20	HHCD	
CN(CCc1cccc2ccccc12)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788935767	FDJRICWZUHNBLN-UHFFFAOYSA-N	415.537	3.757	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccnn3C(C)(C)C)cc2F)C[C@@H](C)O1	792388809	NLLZWPYPIGFWGF-GASCZTMLSA-N	403.502	3.713	10	20	HHCD	
COC[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[C@H]1CCCO1	799984817	KSNUTTBGLIEAAU-MOXGXCLJSA-N	409.958	3.570	10	20	HHCD	
C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)Cc1cccs1	807628327	VHITXJRXKQDKPM-GOSISDBHSA-N	413.587	3.692	10	20	HHCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccc(OC[C@@H]2CCOC2)c(F)c1	808113888	KLSBHJNUHARGHU-SNVBAGLBSA-N	419.833	3.540	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccccc2OC(F)(F)F)SC1=S	814268628	XSFZUHFRCFHSSB-XFXZXTDPSA-N	405.419	3.740	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)Cc3cnc4ccccc4n3)CC2)cc1	815073437	NHSOSPUIZDUCLM-SFHVURJKSA-N	404.514	3.556	10	20	HHCD	
COCCN1[C@H]2CC[C@H]1CC(N(C)CC(=O)c1cc(C)n(-c3ccccc3)c1C)C2	815210980	KIFAADOJGHBJTQ-VXKWHMMOSA-N	409.574	3.850	10	20	HHCD	
Cc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)c(O)c1O	818350285	WAQPBPLLDHQKEY-UHFFFAOYSA-N	402.248	3.822	10	20	HHCD	
Cc1cccc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1C	914704048	UQZCCFXMICMKHB-UHFFFAOYSA-N	403.451	3.910	10	20	HHCD	
Cc1cc(Br)ccc1SCC(=O)OCC(=O)c1ccc(O)c(O)c1	916589382	CSEQZKGNXACDIL-UHFFFAOYSA-N	411.273	3.687	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(N(C)C)cc3)cc2F)C[C@H](C)O1	916667843	HUSIODIOGYLCRE-HOTGVXAUSA-N	400.498	3.827	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3Cc4ccccc4-c4ccccc43)nc12	917144353	HPPCEFYVHIJEJR-UHFFFAOYSA-N	400.438	3.799	10	20	HHCD	
CC(C)Oc1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	918203571	BKHXAMSEFDZEDC-UHFFFAOYSA-N	411.546	3.682	10	20	HHCD	
COc1ccc(CN(C)C(=O)CN2CCCc3cc(OC(F)F)ccc32)cc1F	919802964	MZBDGKKTHKTWKZ-UHFFFAOYSA-N	408.420	3.847	10	20	HHCD	
CCc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1	920880314	FSWBZFXBEZJPOS-QGZVFWFLSA-N	422.504	3.901	10	20	HHCD	
c1ccc(CN2CC[C@@H](N3CCN(Cc4ccc(N5CCCC5)cc4)CC3)C2)cc1	1117583652	WALMMNKUDCEYQM-AREMUKBSSA-N	404.602	3.679	10	20	HHCD	
CCOC(=O)c1ccc(NC(=S)NCc2cccc(OCC(F)(F)F)n2)cc1	1339301126	SIFZFOYHYLMPTR-UHFFFAOYSA-N	413.421	3.686	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(OCC(F)F)ccn3)ccc21	1341911005	UAZYKHKBYRHLJX-UHFFFAOYSA-N	417.456	3.873	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1	23702058	XNVAJURXAVRHKM-WJDWOHSUSA-N	401.469	3.626	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3csc(-n4c(C)ccc4C)n3)CC2)cc1	195709943	KMCRRROMSZMCKD-UHFFFAOYSA-N	424.570	3.841	10	20	HHCD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1	437018519	LQYRMGSXMGRWLZ-MRXNPFEDSA-N	413.543	3.547	10	20	HHCD	
Cc1c(CNC(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n(C)c2ccccc12	472237308	GYATWLWGYYCKEC-MRXNPFEDSA-N	413.543	3.793	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	513683338	JKLMUSVYBWZAMB-LJQANCHMSA-N	415.484	3.635	10	20	HHCD	
O=C(C[C@@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cccc2nsnc12	518603042	XCBZXIJMQPOCLU-CYBMUJFWSA-N	414.512	3.787	10	20	HHCD	
COc1cc(Br)cc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1O	725845924	PQEPUKKAMBSPTQ-LLVKDONJSA-N	405.292	3.899	10	20	HHCD	
O=C(NCCOc1cccc(Cl)c1Cl)NCc1ccc(N2CCOCC2)cc1	726236736	RAXSMZAYQABCBN-UHFFFAOYSA-N	424.328	3.708	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1csc(-c2ccc(O)cc2)n1	726381020	HJYFQYPLZPXSTN-UHFFFAOYSA-N	411.552	3.999	10	20	HHCD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565557	CUVRSKZNBHWHOQ-KMKOMSMNSA-N	417.412	3.995	10	20	HHCD	
CC(C)Oc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1	726567600	NKUNRRGEHDYYEA-UHFFFAOYSA-N	405.445	3.869	10	20	HHCD	
Cc1[nH]c2ccccc2c1CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	726983029	FTAVQYCJQKHZIG-UHFFFAOYSA-N	420.557	3.727	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccs2)cs1)c1cnn(Cc2ccccc2)c1	727242153	TZXPOJLZDUWMHK-UHFFFAOYSA-N	402.526	3.917	10	20	HHCD	
Cc1ccc(CN(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	728055807	JZLWUBROQOTYRM-HZPDHXFCSA-N	419.566	3.557	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)cc2)CC1	731131962	WHUWEDRFJJYICI-UHFFFAOYSA-N	403.885	3.970	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1	732828720	ZDVUUSCAPRPAMA-UHFFFAOYSA-N	405.520	3.926	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1	733322730	BQWAXDMVIQGKQU-MRXNPFEDSA-N	407.555	3.773	10	20	HHCD	
Cc1cc(C)c(N2C[C@H](C(=O)NCCCSc3nccs3)CC2=O)c(C)c1	733974923	PZRNLBRSJANLKA-MRXNPFEDSA-N	403.573	3.720	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)cc1F	734170393	HKDLCZOWXSOFRN-SFHVURJKSA-N	413.541	3.655	10	20	HHCD	
Cc1cc(F)ccc1N1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	735324297	MJIOCMGFEGUVHJ-FQEVSTJZSA-N	401.501	3.868	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)COc2ccc(C=O)cc2Br)cc1	742552602	AIXQRRKVXKNASJ-UHFFFAOYSA-N	419.319	3.803	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	743568144	KYPOEYVZTXAVHM-HNNXBMFYSA-N	415.484	3.875	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@H](c1ccccc1)N1CCOCC1	749126053	LHZRBDQNWRTYIB-HYBUGGRVSA-N	411.615	3.791	10	20	HHCD	
CC1(C)C(=O)Nc2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCC3)cc21	751356763	SHSQIXMFACRRSX-UHFFFAOYSA-N	414.527	3.755	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H](c3ccccc3)c3ccc(F)cn3)cc2)C1	753624446	JPQRSKRWAOROOI-GBXCKJPGSA-N	418.516	3.802	10	20	HHCD	
C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)cc1O	756360358	RYYDZAFEBJUZRJ-BEFAXECRSA-N	405.336	3.879	10	20	HHCD	
C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(Cl)c1O	756458465	MTMKJKPBFGFFHP-ZUZCIYMTSA-N	414.731	3.725	10	20	HHCD	
C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(Br)cc1O	756776257	AKBOLXBJXPUBNB-KSSFIOAISA-N	403.320	3.997	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1CCC(C)C	756811827	FDTHIJTYZDRJOU-UHFFFAOYSA-N	400.592	3.975	10	20	HHCD	
CCOC(=O)c1ccc(N2CC(N[C@@H](C)c3ccc(Cl)c(Cl)c3O)C2)nc1	757654301	LCIUGVCHUVCAJX-NSHDSACASA-N	410.301	3.810	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ncc(Cc2ccc(F)c(F)c2)s1	761610654	IEBWAIKPRCDGLN-UHFFFAOYSA-N	405.426	3.788	10	20	HHCD	
O=C(CCSCc1ccccn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761983540	SWGNXPUHFBQQGV-SFHVURJKSA-N	419.978	3.845	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cccc(OC[C@H]2CCCO2)c1	765752955	KIGMYFYIOITLIM-MRXNPFEDSA-N	406.276	3.643	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccccc3COC3CCOCC3)CC2)cc1	767889637	CCSMYIXIPQERNL-UHFFFAOYSA-N	424.541	3.743	10	20	HHCD	
COc1ccc(CCC(=O)N2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)cc1	769130156	XISCQAAEDCETNM-UHFFFAOYSA-N	423.340	3.985	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCc3cccc(F)c31)c2[N+](=O)[O-]	769758394	VOXCHDDDJCBCFV-UHFFFAOYSA-N	416.364	3.712	10	20	HHCD	
C[C@H](NC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1	772996408	DQFJXPKDYRIYCT-INIZCTEOSA-N	412.511	3.811	10	20	HHCD	
CN1C(=O)CCc2cc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)ccc21	773909984	UFLFBSMLYXESIU-LICLKQGHSA-N	424.503	3.700	10	20	HHCD	
C[C@@H](NC[C@H](O)COCC1=CC[C@H]2C[C@H]1C2(C)C)c1ccc(N2CCOCC2)cc1	775253626	ACOOOVBRDZKOLA-QOFIPBISSA-N	414.590	3.544	10	20	HHCD	
CC[C@H](NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1O	775526639	SMIPLHPQCBMKCL-INIZCTEOSA-N	403.422	3.805	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCc3c(C)cc(C)cc3C2)c1	776774158	FZDKZFJCRICPMK-UHFFFAOYSA-N	408.542	3.602	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)[C@H]1CCN(Cc2ccccc2)C1	779364732	QJMDYIGDJUQWPL-AEFFLSMTSA-N	404.605	3.835	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCCOc1ncc(C(F)(F)F)cc1Cl	779541458	HFCSXGFVWJWKNH-HYXAFXHYSA-N	416.783	3.764	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@@H]1CCC=CO1	781491270	XDFIXJNSIGXJBV-JMRXEAOASA-N	408.570	3.538	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](c3cccc(C)c3)C2)c1	784025901	QHLVYZKGEQSKFF-NRFANRHFSA-N	408.542	3.725	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCCC1CCCCC1	788437873	APVUDWDLCJHBDJ-UHFFFAOYSA-N	411.340	3.590	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCSc3c(F)cccc32)cc1	788461666	FZGOMYNRJJJXOV-IBGZPJMESA-N	415.534	3.641	10	20	HHCD	
CC1(C)C[C@@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cc([N+](=O)[O-])ccc21	788581107	SFDKYGFRVIFAJC-HTAPYJJXSA-N	422.529	3.809	10	20	HHCD	
Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	789588517	IEJHSCIKGJPOFJ-LBPRGKRZSA-N	422.298	3.779	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	790416136	SFHCKQMSKUGUEG-UHFFFAOYSA-N	415.265	3.735	10	20	HHCD	
C[C@@H](COc1ccccc1)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	793690439	QALDBSDYRKQSIJ-SFHVURJKSA-N	410.514	3.637	10	20	HHCD	
C[C@H](CCc1ccc(F)cc1F)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	796703866	YROWVGJLKMRXMN-APWZRJJASA-N	401.501	3.777	10	20	HHCD	
CCn1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C(F)(F)F)n1	798212658	QDYGOACSYCYUCC-UHFFFAOYSA-N	413.355	3.950	10	20	HHCD	
CCCC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(OC)cc1	804596037	RLIQZUGXXVLTBO-VGSWGCGISA-N	411.546	3.986	10	20	HHCD	
COc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1C	805024130	BDOLVBWPISQJQJ-UHFFFAOYSA-N	423.557	3.515	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1nc(-c2ccco2)cs1	806847025	HALPBMFAOYVMMQ-UHFFFAOYSA-N	424.526	3.991	10	20	HHCD	
O=C(NCc1nc(-c2cccc(F)c2)no1)NCc1cc(Cl)cc(Cl)c1O	807185952	YIPUHJDHUOEQAT-UHFFFAOYSA-N	411.220	3.888	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccn1	807788421	AZYCQINCJAGFML-SFHVURJKSA-N	403.404	3.971	10	20	HHCD	
Cc1nc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1-c1ccccc1	810351175	GQHLKZGGCZAHMK-UHFFFAOYSA-N	402.498	3.720	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(N2CCCOC2=O)cc1	814305586	KUCWWKQQYBKAIX-GOSISDBHSA-N	420.513	3.970	10	20	HHCD	
CC(C)c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(O)n1	857473320	XADOPUWUHCGUTR-KRWDZBQOSA-N	403.910	3.664	10	20	HHCD	
Cc1cc(CCNC(=O)NCc2cccc(C(=O)N(C)C)c2)c(C)n1-c1ccccc1	916220987	JXBCLCQSYJXWNW-UHFFFAOYSA-N	418.541	3.838	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	917393499	NWJQQFJCVFZXGY-UHFFFAOYSA-N	403.529	3.658	10	20	HHCD	
CCOc1ccc(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl	917821263	ICCDCGMYOOYMHA-UHFFFAOYSA-N	403.910	3.508	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1	920216938	WIEKAGJMGKLKNS-HSZRJFAPSA-N	407.558	3.725	10	20	HHCD	
COc1nc(Cl)c(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)n1C	1116007863	IXVZHPNIVONZAJ-UKTHLTGXSA-N	408.936	3.554	10	20	HHCD	
CN(C)[C@@H]1CCCC[C@H]1NCc1cc(Br)cc(Br)c1O	1116476103	KREUJSGNJQOZAR-ZIAGYGMSSA-N	406.162	3.880	10	20	HHCD	
CS[C@@H]1CC[C@H](N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	1318806188	UBWIVWRCDUHQCL-QWHCGFSZSA-N	424.478	3.726	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(OCC3CC3)nc2)cc1	1321458143	HNKFEXKKJDHNIC-QFIPXVFZSA-N	409.530	3.758	10	20	HHCD	
Cc1ccccc1OCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	1337685673	FGWNTCAUNGMMTD-ROUUACIJSA-N	400.494	3.833	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1	1337786030	TYUNUQGWFPGTCI-QMMLZNLJSA-N	407.558	3.736	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ncoc3-c3ccc(OC)cc3)CC2)cc1	1343727862	ZGUUYWSMWOTNBI-UHFFFAOYSA-N	407.470	3.711	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1O)Nc1ccc(C2(NC(=O)C3CCC3)CCC2)cc1	1792297781	JSIBRUTTWMKVII-WUXMJOGZSA-N	422.481	3.751	10	20	HHCD	
Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1	7052948	UDYLSBFZHFABBS-UHFFFAOYSA-N	423.538	4.000	10	20	HHCD	
COc1cc2c(cc1NCC(=O)NC[C@H]1COc3ccccc3O1)oc1ccccc12	24224145	VBEBKCFMDRSBTB-HNNXBMFYSA-N	418.449	3.963	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)n1	145703636	JPSOLBUYDKIUBH-HXUWFJFHSA-N	418.541	3.746	10	20	HHCD	
C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)N(C)Cc1ccccc1O	726283420	ZJQQTPWEQLFWFA-QGZVFWFLSA-N	410.518	3.551	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1	726562923	QDEWSILKEKOZND-NRFANRHFSA-N	407.558	3.692	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)NCCc3ccccc3)ccc21	728639956	WPYSQXSERGCQSS-IBGZPJMESA-N	422.525	3.809	10	20	HHCD	
O=C(NCc1ccccc1O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl	731052186	XLLBNAXJYLBKRC-UHFFFAOYSA-N	413.211	3.844	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1	731163625	OHQAGWUJFJMAIM-UHFFFAOYSA-N	408.523	3.657	10	20	HHCD	
COc1ncc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cn1	734049789	XPHKTFNVWPODJL-UHFFFAOYSA-N	417.824	3.725	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)Nc2ccc3c(c2)OCO3)cc1	735235462	SBWRRINRPCHPRE-LJQANCHMSA-N	413.543	3.859	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F	741677993	HFGMVQUWETXPDW-NRFANRHFSA-N	403.473	3.647	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(c4ncnc5ccsc45)CC3)c2c1	742155601	CIIJATCJJQMHEQ-UHFFFAOYSA-N	406.511	3.881	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)cc1	742393816	DQSSPEINRFBZIK-UHFFFAOYSA-N	401.454	3.811	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1Br	742420675	FAUOOPXAUZQWRA-YUMQZZPRSA-N	406.258	3.604	10	20	HHCD	
CS(=O)(=O)c1cccc([C@H](NC(=O)c2cc(O)cs2)c2ccc(F)cc2)c1	743733512	KIQVXUCFZJMLPV-GOSISDBHSA-N	405.472	3.516	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl	743956311	QAOJLEAXVPNGGE-UHFFFAOYSA-N	416.905	3.967	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](c2ncc[nH]2)C1	745905101	XDRTZBCYMDGFES-CVEARBPZSA-N	419.476	3.569	10	20	HHCD	
O=S(=O)(Cc1cc(Cl)ccc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1	751120252	FOMGSEKIWHNOLI-KRWDZBQOSA-N	413.898	3.696	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl	751816709	DTMXWSNMNXMYIW-UHFFFAOYSA-N	415.646	3.544	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br	754976150	FRKCZTMTEIDXFI-UHFFFAOYSA-N	410.243	3.835	10	20	HHCD	
COc1ccc(C(F)(F)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	755579483	RVLZSSXMUPXHRJ-GASCZTMLSA-N	422.447	3.856	10	20	HHCD	
Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(Br)n1	756022164	ZJPJBXQGNHCCOU-OAHLLOKOSA-N	405.292	3.680	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Br)ccc1O	756425617	ZNXJSCBSNZQYEW-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
C[C@H](N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(Br)ccc1O	756674721	ASVSPUDRSCVCID-JQWIXIFHSA-N	411.246	3.889	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(S(=O)(=O)CC)cc1	756945435	DNCKVBKYOWYDTB-UHFFFAOYSA-N	402.560	3.528	10	20	HHCD	
COc1ccc(NC(=O)c2nnc(CN(C)c3ccc(OC)c(F)c3)s2)cc1	757857959	UDHPRYACUSQZQK-UHFFFAOYSA-N	402.451	3.583	10	20	HHCD	
CN(C(=O)COC(=O)c1cccc(O)c1O)[C@H](c1ccccc1)c1ccc(F)cc1	758549089	XWHZWFJKAPUDMC-OAQYLSRUSA-N	409.413	3.642	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cc1C(F)(F)F	767883447	IEZHFVSFBKQHGO-UHFFFAOYSA-N	410.411	3.983	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2C[C@H](C)[C@H](O)C2)sc(C)c1-c1ccccc1	768771001	SEENDZAXOWUTKT-WMLDXEAASA-N	416.543	3.541	10	20	HHCD	
COc1ccc(N2CCCN(Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2)cc1	768997281	CITJGHSJFVKRCQ-UHFFFAOYSA-N	406.486	3.526	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCc2cccc(F)c21	769023667	MOPJKGYKMLFOFR-UHFFFAOYSA-N	423.410	3.953	10	20	HHCD	
CCCCC[C@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	769035679	APTAWLZEKYACJB-FPOVZHCZSA-N	400.567	3.643	10	20	HHCD	
O=C(CCCc1ccccc1)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769231227	AHZSGVRKKJHABV-UHFFFAOYSA-N	417.893	3.621	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2c(O)cccc2Cl)C(C)C)cc1	769349733	FDAPEPAHXYWZHW-QGZVFWFLSA-N	406.910	3.654	10	20	HHCD	
CC(C)S(=O)(=O)c1cccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1	769975519	UKRCPMSQTVVVMK-UHFFFAOYSA-N	420.494	3.831	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1ccnn1C(C)C	772797577	GHLRNRWXVUAJHS-ZDUSSCGKSA-N	409.328	3.781	10	20	HHCD	
C[C@@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)c1ccc(N(C)C)cc1	773440885	HATFZTWYHRNOAN-HXUWFJFHSA-N	424.589	3.830	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](CO)Cc2cnn(C)c2)c(C)n1-c1ccc(C(C)C)cc1	773443154	WYQOXNMFMVDOPB-FQEVSTJZSA-N	408.546	3.532	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)c(Cl)cc1O	774140720	SCLSGVKDIZEVCO-MNOVXSKESA-N	400.258	3.518	10	20	HHCD	
CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)/C=C\c1ccc(O)c(O)c1	775942893	NPKNVFYJOCHWFA-DDNJPHGJSA-N	405.450	3.555	10	20	HHCD	
O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cnc(-c2ccccc2)nc1	780702976	FRYHWTCZUSYBEA-UHFFFAOYSA-N	422.491	3.960	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)cc1	785548881	ZKQJQHVBFMCMIG-QFIPXVFZSA-N	411.546	3.671	10	20	HHCD	
CN(C)Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	788628782	ZVKHMQLNGAUULZ-UHFFFAOYSA-N	402.560	3.977	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	790408631	BYZNXDDDEUWTHT-UHFFFAOYSA-N	407.231	3.807	10	20	HHCD	
C[C@@H](NC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)c1ccc(N(C)C)cc1	793855655	LDFZOTRCEAAGRR-CQSZACIVSA-N	418.563	3.767	10	20	HHCD	
COc1cccc(C2(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)c1	795361682	YTRPRQFIWKVYLW-IAGOWNOFSA-N	412.505	3.796	10	20	HHCD	
CC(C)(C)n1ncnc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	800654557	YVVYMSQPEDLXER-UHFFFAOYSA-N	405.462	3.703	10	20	HHCD	
COC(=O)[C@@]1(C)CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	800719777	NORMADFDKCFXDY-VFNWGFHPSA-N	407.942	3.671	10	20	HHCD	
COc1ccc(C2=NO[C@@H](CNC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2)cc1	802359489	MDNVCDHATGFVID-JOCHJYFZSA-N	424.545	3.874	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)ccc1OC(C)C	802609884	NQMVTJNNDCTZSW-UHFFFAOYSA-N	414.502	3.955	10	20	HHCD	
CC(C)CC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C	803297606	BGGVFNGVBFFTEN-GHTZIAJQSA-N	417.594	3.668	10	20	HHCD	
CCCNC(=O)c1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	804950616	ASDIGTVNFHRHHY-UHFFFAOYSA-N	410.301	3.838	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3	808013174	PNZLBQDRFBGORZ-UHFFFAOYSA-N	412.536	3.885	10	20	HHCD	
CCOc1ccc(NCc2cc(F)ccc2O)cc1S(=O)(=O)N1CCCCC1	809682073	BQLABFQBXMFORJ-UHFFFAOYSA-N	408.495	3.717	10	20	HHCD	
COCCc1nc(CN(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)no1	809960459	WXQKXDKTQFFNLQ-UHFFFAOYSA-N	401.488	3.606	10	20	HHCD	
Cc1cc(-c2nnc(N3CCSCC3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1	812381131	OWJZDBMLWMYYLJ-IBGZPJMESA-N	423.586	3.942	10	20	HHCD	
COc1ccccc1-c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCCO1	812433734	LKCRBFKZTFVSSE-GOSISDBHSA-N	408.502	3.865	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H](O)c3ccc(Cl)cc3F)cc2F)C[C@@H](C)O1	813416350	OGSDXCRTEPVSJN-VFGMZZLHSA-N	424.875	3.582	10	20	HHCD	
CC(=O)N1CCC(N(Cc2cncs2)Cc2cccc(Br)c2O)CC1	814178906	IUQGFLKRJMNNNH-UHFFFAOYSA-N	424.364	3.624	10	20	HHCD	
COC(=O)N1CCN(c2ccc(N[C@@H](C)c3cccc(C(F)(F)F)c3O)cn2)CC1	815654569	QTIBURDFKOMBGZ-ZDUSSCGKSA-N	424.423	3.868	10	20	HHCD	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-n3cncn3)c(F)c2)SC1=S	824017152	DAKDIHBLJFFKHB-RQZCQDPDSA-N	412.471	3.821	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OC)c1	914533742	UHKVLVQRHUKSGD-HSZRJFAPSA-N	412.578	3.986	10	20	HHCD	
Cc1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)oc2ccc(Br)cc12	916617412	ODBWWIGSMRNCLF-UHFFFAOYSA-N	405.200	3.955	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C)cc3Cl)CC2)cc1	58021504	ZBLXHFAZUFCOEM-UHFFFAOYSA-N	402.926	3.601	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)cc1	97476964	BGEAMOLGHYVUSC-QGZVFWFLSA-N	401.938	3.738	10	20	HHCD	
Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	108286890	GDOXHCKTYSTOFT-FGTMMUONSA-N	400.494	3.831	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1occc1COc1ccccc1	302949893	NQPHKSKKEZPLKY-UHFFFAOYSA-N	420.509	3.997	10	20	HHCD	
O=[N+]([O-])c1cccc(-c2noc(CN(Cc3ccccc3O)C[C@H]3CCCO3)n2)c1	303404670	SJWFOHUGUAXVDM-GOSISDBHSA-N	410.430	3.532	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3COc4cc(OC)ccc4C3)ccc21	502891606	ZSIILGILOIXGEZ-IBGZPJMESA-N	408.498	3.647	10	20	HHCD	
O=C(Nc1ccc2scnc2c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	726287567	GZQZRWQPFIFBKN-UHFFFAOYSA-N	407.451	3.762	10	20	HHCD	
COCCc1noc(CN(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)n1	728928375	UDSGVTNFXRHGLG-UHFFFAOYSA-N	401.488	3.606	10	20	HHCD	
COc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731131741	LFOOKONCDMHWED-UHFFFAOYSA-N	415.921	3.840	10	20	HHCD	
O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(Cc1ccccc1O)C[C@H]1CCCO1	731856412	NUQVIXNGBAZITB-GOSISDBHSA-N	411.458	3.696	10	20	HHCD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1	732881287	KWOOBLMFQOXKLW-UHFFFAOYSA-N	407.511	3.537	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(O)c1	732885917	CKBJQWPPQCTLLI-OAGGEKHMSA-N	401.482	3.705	10	20	HHCD	
COC(=O)CCSCCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	733767652	SQFVBLXBAKHHFC-UHFFFAOYSA-N	408.951	3.703	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2C)c1	734072701	OIIIAVNUUDNROG-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)cc1	734942205	LNEDHFKDMBFLFD-UHFFFAOYSA-N	415.969	3.609	10	20	HHCD	
CN(C)c1nc2sc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2s1	735519690	SBOOLKLEIKEJTB-AWEZNQCLSA-N	417.556	3.951	10	20	HHCD	
CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(N3CCCCCC3)c2)c1	740848109	MSBXRRRUBPGPSY-UHFFFAOYSA-N	401.532	3.536	10	20	HHCD	
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	740919776	MQNRKJKKRPCAAP-UHFFFAOYSA-N	422.504	3.762	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)CC(C)C)c(C)c3)CC2)cc1	741883949	XMTCKTHOUPUNOZ-UHFFFAOYSA-N	409.530	3.951	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1c[nH]cc1-c1ccc2c(c1)OCCO2	742046170	OOOSOBPZPYLYEY-UHFFFAOYSA-N	403.482	3.983	10	20	HHCD	
COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c(Cl)c1Cl	742285240	PWIAIYANQIXGNN-UHFFFAOYSA-N	407.294	3.686	10	20	HHCD	
Cc1ccsc1S(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	742289250	YCDZLCDCFLZNJQ-UHFFFAOYSA-N	402.488	3.605	10	20	HHCD	
C[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806219	QNWQXNICGAFKSG-LSDHHAIUSA-N	408.420	3.980	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)ccc1C(F)(F)F	743917669	LLNNFWSJUVOIAV-UHFFFAOYSA-N	403.404	3.645	10	20	HHCD	
COc1cc(CNC(=O)NCc2cccc(OC)c2O)ccc1OCc1ccccc1	745318882	OTQWVYFNLDHBIA-UHFFFAOYSA-N	422.481	3.988	10	20	HHCD	
Cc1cnc([C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C2CC2)s1	745653076	SYZHENVIMNKSSD-HXUWFJFHSA-N	414.575	3.611	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(N2CCOC2=O)c1	746725250	DHXFFHWQJNPBHW-INIZCTEOSA-N	408.502	3.586	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1F	746759689	LBOQJXCASZCCIW-UHFFFAOYSA-N	404.873	3.994	10	20	HHCD	
CC(C)CC(=O)N1CCC(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	749197667	QIQHDSJQMOAHFL-UHFFFAOYSA-N	414.594	3.855	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCC(N4CCCNC4=O)CC3)c2C)c1	749546924	UJIDTEZMEYOQBY-UHFFFAOYSA-N	422.573	3.773	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	749551968	KUJLJEHYHHYGLX-YKSBVNFPSA-N	406.574	3.997	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c1O	750828844	DAJUZVFFUQGASX-UHFFFAOYSA-N	424.513	3.630	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c([N+](=O)[O-])n1	751587890	IQXMZFQRKSFVPK-UHFFFAOYSA-N	421.504	3.661	10	20	HHCD	
C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc2c(c1)CCCN2C	752656918	AHTTWBMUXLZATN-AEFFLSMTSA-N	416.566	3.514	10	20	HHCD	
CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1	752830339	OJIKASRTALUNMR-WZUFQYTHSA-N	414.458	3.653	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(-c4csnn4)cc3)CC2)cc1F	753882769	YQYIVCAOUDDLSG-UHFFFAOYSA-N	413.478	3.707	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)Sc3ccccn3)cc2F)C[C@@H](C)O1	754225062	OVNJAAZLEXNPMO-OWCLPIDISA-N	403.523	3.631	10	20	HHCD	
CCN(CC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C)[C@@H](C)CS(C)(=O)=O	754651288	JVWLJDGAKVWPNG-INIZCTEOSA-N	422.616	3.754	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	755268287	GXDNHDJHAFMUFP-DHIUTWEWSA-N	413.537	3.702	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F	755580984	RZTUTFVFGFBMRE-PBHICJAKSA-N	402.422	3.751	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1COc2c(Cl)cccc21)c1ccc(N2CCOCC2)cc1	757652033	JIMSNJHWYGNPEW-LIRRHRJNSA-N	401.894	3.671	10	20	HHCD	
COc1ccc(C(C)(C)CNC(=O)NCCCSc2nccs2)cc1OC	759580079	OFXFXFXZFJPANT-UHFFFAOYSA-N	409.577	3.920	10	20	HHCD	
COc1cc(N2CCN(Cc3csc(-c4ccoc4)n3)CC2)cc(OC)c1OC	759888020	YVXRBAIQGSRPID-UHFFFAOYSA-N	415.515	3.751	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H](c3ccc(Cl)cc3)c3ccn(C)n3)cc2)CC1	762557806	SPUOIKZEBLUHIB-HSZRJFAPSA-N	409.965	3.705	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	764140201	CGRRDIPKGXUGKS-QFIPXVFZSA-N	408.502	3.822	10	20	HHCD	
C[C@@H](NC(=O)N1CCC[C@@H](Nc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	764356483	GLZXKVOIASOJKE-DENIHFKCSA-N	408.546	3.870	10	20	HHCD	
Cc1noc(C2CN(C(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)C2)n1	765665357	CGRKWUVVXXEWSE-UHFFFAOYSA-N	415.291	3.788	10	20	HHCD	
CCS[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)n1	765677820	IXZGXGVDMZSZEH-HNNXBMFYSA-N	403.552	3.826	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1cccc(Br)c1O	765771245	WWWNSEDFZDODDS-UHFFFAOYSA-N	414.303	3.946	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)C2CC2)cc1	766394395	IBCWYWBWLIETRI-UHFFFAOYSA-N	424.545	3.977	10	20	HHCD	
COc1cc(CN(Cc2ccccc2O)C2CCCC2)cc(Cl)c1OCC(N)=O	769384350	NVFWHLSKFAWRHS-UHFFFAOYSA-N	418.921	3.863	10	20	HHCD	
Cc1cc2c(N3CCC[C@@H]3C(=O)NCc3ccc4c(c3)CCCN4C)ncnc2s1	770526708	AVWPXVNFBBPBOD-HXUWFJFHSA-N	421.570	3.667	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C	773010993	VJGQZHFSHWSXIY-KRWDZBQOSA-N	409.559	3.920	10	20	HHCD	
C[C@H](NCC1(CN[C@H](C)c2ccc(N(C)C)cc2)COC1)c1ccc(N(C)C)cc1	775834013	JAIYDPVREXMBIG-BGYRXZFFSA-N	410.606	3.837	10	20	HHCD	
CNC(=O)CCOc1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	777681356	GSZSTSISHHFZLG-MRXNPFEDSA-N	417.937	3.865	10	20	HHCD	
Cc1nc(O)c(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Br	778984426	ASDFNOCBYSTNDT-UHFFFAOYSA-N	417.259	3.999	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NOCCC(F)(F)F	779326559	RMTCMSDGJOSRBZ-LUAWRHEFSA-N	424.491	3.730	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1nc2c(s1)COCC2)c1ccc(N)cc1	783482734	JNLTULQPAWFSLK-AWEZNQCLSA-N	422.510	3.531	10	20	HHCD	
CC(=O)Nc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1C	784106960	BFPKWMVPMYGLSQ-UHFFFAOYSA-N	408.502	3.698	10	20	HHCD	
CSc1c(F)cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1F	784675640	UHAPFTSQMRXHCX-UHFFFAOYSA-N	419.497	3.882	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc(OC(C)C)cc3)cc2)CC1	786819576	LUUKEMXACFPINI-UHFFFAOYSA-N	423.557	3.643	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(C)cc1OC	790416409	XASOMIZWNQXBLW-UHFFFAOYSA-N	400.294	3.835	10	20	HHCD	
Cc1oc2c(CN3CC[C@@H](N4CCCC4=O)C3)c(O)ccc2c(=O)c1-c1ccccc1	790451559	DANGYXYHYDIQMQ-GOSISDBHSA-N	418.493	3.671	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1c(Br)c(C)nn1C	790912088	YYWWFXFAXHEORA-UHFFFAOYSA-N	417.145	3.981	10	20	HHCD	
Cc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c(O)c1O	792599569	ADJQUUAUXMRQCY-UHFFFAOYSA-N	414.502	3.963	10	20	HHCD	
CCc1cnc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)o1	793833994	HSVYSINHJSGLHT-ZROIWOOFSA-N	421.569	3.596	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cncc(F)c1	798534594	SCTNIYISYJAFTP-ZSOIEALJSA-N	407.517	3.902	10	20	HHCD	
COc1ccc(N2CCN(Cc3cnc(NC(=O)OC(C)(C)C)s3)CC2)cc1F	800511485	BKZRCUPLLYEPST-UHFFFAOYSA-N	422.526	3.960	10	20	HHCD	
COc1cccc([C@H](O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1	800572609	ZUPCQZVFGFGELS-BTYIYWSLSA-N	402.922	3.935	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)nc1	800716030	CJGDKOMQZPGHKZ-OAHLLOKOSA-N	402.926	3.979	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CCCC(C)(C)C2)cc1	806756374	IYTKQJBZPRBAGO-LJQANCHMSA-N	411.546	3.959	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@@H](c3ccccc3C)N(C)C)CC2)cc1	807407121	KAXFUOVNNBYZOP-RDPSFJRHSA-N	424.589	3.917	10	20	HHCD	
Oc1ccccc1CN(Cc1nc2ccccn2c1Br)C[C@H]1CCCO1	809538732	SPESKNDBIZGZPI-MRXNPFEDSA-N	416.319	3.984	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C(F)F)C1	812042751	LAIOPKXBSUYIHV-SFHVURJKSA-N	401.461	3.843	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(N2CCCNC2=O)cc1	812941434	IFVDHHASJWXJIP-MRXNPFEDSA-N	422.529	3.751	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCc3ccccc31)c2[N+](=O)[O-]	821693439	VXTCNSMXACEMGB-UHFFFAOYSA-N	412.401	3.963	10	20	HHCD	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1	913072433	WXDUUZDBIHPHBZ-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
COC(=O)c1ccc(F)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	916681617	KKJOYRGSMLOCFN-INIZCTEOSA-N	402.422	3.531	10	20	HHCD	
COc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC(F)F	916995653	BDEFNBALPDMIRL-UHFFFAOYSA-N	421.444	3.797	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3c[nH]c4ccccc34)cc2F)C[C@@H](C)O1	918150471	JHAJMQYJPUACCT-CALCHBBNSA-N	424.520	3.963	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Cl)c1	918294207	CPLGVSFEERULCE-KRWDZBQOSA-N	416.905	3.809	10	20	HHCD	
COc1cccc([C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	919692715	PIXGYHWXWOURFB-ULQDDVLXSA-N	400.494	3.868	10	20	HHCD	
COc1ccc2oc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c(C)c2c1	919969799	ZLXNJRLPHUVXQQ-UHFFFAOYSA-N	412.461	3.780	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)S(=O)(=O)c3ccc(F)cc3)c2C)cc1	1115858625	ZRZPKQDJWMNKQN-UHFFFAOYSA-N	416.474	3.703	10	20	HHCD	
CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1N=Nc1ccc(O)cc1	1317736286	YIVYKRAMHSTJAO-AWEZNQCLSA-N	412.446	3.835	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccc(N2CCCS2(=O)=O)c(F)c1	1320409534	VCTNUKKPFYFREK-WMLDXEAASA-N	404.507	3.718	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccc(C(=O)NCCN2CCCC2)cc1	1325357519	SWIHQGOOKAKTSG-GHTZIAJQSA-N	407.558	3.864	10	20	HHCD	
O=C(CCC1CCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1	1800712578	MINAFTXUBZARKP-MUJYYYPQSA-N	406.910	3.583	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3ccc(N4CCCC4)cc3)sc2n1	10645206	CUDLLFGKOKDVAM-UHFFFAOYSA-N	424.526	3.891	10	20	HHCD	
NC(=O)c1ccc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1	16744582	IEMRBWNRJZJFRR-UHFFFAOYSA-N	419.820	3.571	10	20	HHCD	
Cc1cccc(-n2ncc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2C)c1	29552867	LTZYOVHHYKGKAI-UHFFFAOYSA-N	404.514	3.598	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccc(F)cc3)C(C)(C)C)nc12	108856162	SDXTVIVNEHDEFL-SFHVURJKSA-N	400.454	3.628	10	20	HHCD	
COc1ccc2[nH]cc(C3=CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)c2c1	111171549	IFTJAQNQWFXBQS-UHFFFAOYSA-N	414.391	3.927	10	20	HHCD	
CC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	195720540	PMSBYGCHOLXNRL-FQEVSTJZSA-N	400.567	3.513	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1nnc(Cc2ccc(F)cc2)s1	543882920	OUULKGHJCVUVRU-UHFFFAOYSA-N	413.478	3.765	10	20	HHCD	
COCCN(Cc1ccco1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726721896	KINLKJUEBDPXDX-UHFFFAOYSA-N	423.460	3.708	10	20	HHCD	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCCCC2)cc1	727151141	XPTNRIJTHCVRRE-IBGZPJMESA-N	421.607	3.940	10	20	HHCD	
C[C@H](O)c1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	727226572	MJYVZMXSXRWYQW-HNNXBMFYSA-N	419.472	3.810	10	20	HHCD	
COc1cc(Cl)ccc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	730825692	VTASBMUUUSCVKG-HNNXBMFYSA-N	403.910	3.746	10	20	HHCD	
CC[C@](C)(NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	730905038	WMKHGCAIDRJLLD-CYFREDJKSA-N	408.546	3.513	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCOc2ccc(C=O)cc2)cc1	731621434	HHALOMZELNOGGF-QHCPKHFHSA-N	410.514	3.542	10	20	HHCD	
Cc1ccccc1-n1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1	732634414	BCXYKCVLJZJSDO-ROUUACIJSA-N	422.504	3.863	10	20	HHCD	
COc1c(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c(C)nn1C	732852618	QKDYAXAUBMDKOQ-UHFFFAOYSA-N	409.486	3.801	10	20	HHCD	
CCOC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1	733797103	PQXWBKXUBQVKLM-IAGOWNOFSA-N	420.509	3.538	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCN([C@@H](C)c4cccnc4)CC3)cc2)CC1	734169878	CCNRJRFPUDKTEY-NRFANRHFSA-N	421.589	3.906	10	20	HHCD	
C[C@@H](c1ccccc1)N1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1	734943608	XSIMUSAUMJSZJI-FQEVSTJZSA-N	422.573	3.548	10	20	HHCD	
CCOC(=O)N1[C@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)CC[C@H]1c1ccc(C)o1	736674919	WQBKRFJOGYIECP-WBAXXEDZSA-N	416.474	3.842	10	20	HHCD	
CC1CCN(c2cccc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)c2)CC1	740609363	ITKAKPIHUNOGTN-UHFFFAOYSA-N	413.543	3.999	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCCN(Cc2ccccc2)C1	740909712	ISFRKSGEHLXOPT-QHCPKHFHSA-N	404.558	3.774	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCN(C[C@@H]4CCCO4)CC3)c2C)c1	740943002	PPITXCNEVOTCIS-QHCPKHFHSA-N	409.574	3.690	10	20	HHCD	
COc1ccccc1-n1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cn1	743045543	ODNOELRPEHZCCF-UHFFFAOYSA-N	412.496	3.805	10	20	HHCD	
COc1cc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc2n1	743564541	NLHGKOLGMSOEIL-QGZVFWFLSA-N	420.513	3.640	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(N2CCCC2=O)c1	743564547	NMHTYARZQXMZON-MRXNPFEDSA-N	407.514	3.958	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(Br)cn1	743809103	MZPQCUAQVKCGKU-UHFFFAOYSA-N	414.097	3.975	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)ccc21	744668246	GCABQYXHWWXJJV-UHFFFAOYSA-N	417.550	3.938	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc2c(c1)OCCO2	745290042	XFZDRJXOFJLYLO-UHFFFAOYSA-N	421.291	3.658	10	20	HHCD	
C[C@H](OC(=O)[C@H](C)C(F)(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	745617649	BFTQDNBRJGMUMP-QWRGUYRKSA-N	419.355	3.531	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccc(Br)cc1	746401595	BCRWRKLEFRKFPW-UHFFFAOYSA-N	411.365	3.867	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	750040103	SIRYSPOZMKCARS-UHFFFAOYSA-N	416.905	3.605	10	20	HHCD	
Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	752022599	CSTACNVPGGYSEE-KRWDZBQOSA-N	412.490	3.642	10	20	HHCD	
CO[C@@H]1C[C@@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1(C)C	753261202	NIIIBYIQYKSNCO-RTZSPXFWSA-N	424.613	3.659	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3cccc(SC)c3)CC2)cc1F	753857796	RBIKTVBOLQFPCL-OAHLLOKOSA-N	403.523	3.705	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(CCC(F)(F)F)c3)ccc21	754192409	QUZIGJXDUIVBJY-UHFFFAOYSA-N	419.447	3.819	10	20	HHCD	
COc1ccsc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1	760311920	WRXKEACXOHZNCH-UHFFFAOYSA-N	411.486	3.898	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2nc(SCc3ccccc3)ns2)c1	762957230	LWTHYTMIOOIOCF-UHFFFAOYSA-N	402.501	3.866	10	20	HHCD	
Cc1cccc(C(=O)NCCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	765252738	AZYVOCHFOOOZNV-KRWDZBQOSA-N	401.938	3.566	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3cccc(Br)c3O)ccc21	765482457	WYIZIDNLAHFCNF-UHFFFAOYSA-N	404.308	3.537	10	20	HHCD	
Cc1ccc(C(=O)NCc2cccc(Br)c2O)c(Br)n1	765735899	IVYSTCLQEAJFFR-UHFFFAOYSA-N	400.070	3.551	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1	775371772	ROIKGMZSUDHLBM-SCLBCKFNSA-N	406.429	3.848	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	777256917	RAEQNMSQCCYNHB-QGZVFWFLSA-N	404.555	3.540	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1cn2c(n1)CCCC2	779797124	AQGNMIOCNKXFDS-UHFFFAOYSA-N	412.899	3.936	10	20	HHCD	
Cc1cc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c(C)n1-c1ccc(F)cc1	782028377	GNSBQTZPSCTSMX-HSZRJFAPSA-N	421.516	3.730	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C3CCC(c4ccccc4)CC3)cc2)CC1	786262813	QEZZUMGEXGEPKJ-UHFFFAOYSA-N	419.569	3.945	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1	787001418	PHGQDWMTOGPRLG-MRXNPFEDSA-N	407.522	3.582	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1	789353752	XGSPYYKXRPWWDP-HNNXBMFYSA-N	414.575	3.615	10	20	HHCD	
Oc1ccc(Cl)c(F)c1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1	792179116	HQNSSOYFHISUDL-UHFFFAOYSA-N	410.824	3.767	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F	794348503	RKITZBPVSOHSMP-HSVJCBRXSA-N	401.768	3.633	10	20	HHCD	
CCOc1ccc(N(C)CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1	794372547	DHYMZFGGBIEVRL-UHFFFAOYSA-N	402.564	3.849	10	20	HHCD	
COCCNC(=O)c1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	796464667	AWPFGNKLEIGHFW-UHFFFAOYSA-N	412.490	3.573	10	20	HHCD	
CN1Cc2cc(-c3csc(NS(=O)(=O)c4cccs4)n3)ccc2NC1=O	799187366	QETYISAVJASAJB-UHFFFAOYSA-N	406.514	3.650	10	20	HHCD	
Cc1nc(C)c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1	800635903	AVOHVLFOKXZLIR-GFCCVEGCSA-N	420.966	3.905	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)nc1	800716027	CJGDKOMQZPGHKZ-HNNXBMFYSA-N	402.926	3.979	10	20	HHCD	
FCCC[C@H]1CCC[C@@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	800968744	UZCPIZNIRGRHOH-CTNGQTDRSA-N	415.532	3.950	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)c2cccc(Br)c2)cc1	801745405	HTVQSUMRZHXQKQ-LJQANCHMSA-N	420.351	3.828	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1cc(Cl)cc(Cl)c1O	804867027	DGUIZCUJGNGUIZ-UHFFFAOYSA-N	408.285	3.825	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@@H](C)c3cc4c(cc3O)CCCC4)C2=O)c(OC)c1	806170576	WLMYGUFNTKUELS-AOMKIAJQSA-N	424.541	3.740	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCN(Cc4ccccc4)[C@H]3C)CC2)cc1	806683188	BGDKZQUMLBFJKF-CYFREDJKSA-N	422.573	3.626	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1cc(Cl)cc(Cl)c1O	807838038	HSENXGRXKHFINQ-UHFFFAOYSA-N	410.223	3.934	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	810318833	OIGUVGTYFGHHEI-UHFFFAOYSA-N	418.440	3.864	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c(O)c1	812929734	LOUSTMAOHSWZJM-KOMQPUFPSA-N	405.292	3.909	10	20	HHCD	
Oc1c(CN2CCN(Cc3nc(-c4cccs4)no3)CC2)ccc2ccccc12	816483533	VVRMGPXKOSPCKT-UHFFFAOYSA-N	406.511	3.975	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3cnn(-c4ccccn4)c3N)cc2Cl)C1	816575624	SVANREZLVYMMIS-HNNXBMFYSA-N	424.936	3.669	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c(C)n1-c1ccccn1	914849742	UPVPYYNZDLEURE-UHFFFAOYSA-N	417.513	3.831	10	20	HHCD	
CS(=O)(=O)N1CCC(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	915303506	FMJKQRSXINJTCJ-UHFFFAOYSA-N	401.492	3.648	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNC(=S)NC1CCCCC1	916026146	ZDSLZIMBGIUZQM-UHFFFAOYSA-N	401.498	3.839	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(OC)cc1Cl	916670584	WTPIFXQOBRDGFM-UHFFFAOYSA-N	423.872	3.655	10	20	HHCD	
Cc1cc(C(=O)N2CCc3[nH]c4ccc(C(=O)O)cc4c3C2)c(C)n1-c1ccccn1	917095997	PHJMECMXKRWHTB-UHFFFAOYSA-N	414.465	3.867	10	20	HHCD	
CC(C)(C)c1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918295931	UDSONXBSUWMSNE-GOSISDBHSA-N	410.514	3.836	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccn(Cc2ccccc2)n1)c1ccc(N2CCOCC2)cc1	920871306	HXCWVTHAENRKJI-GOSISDBHSA-N	405.502	3.651	10	20	HHCD	
CCS(=O)(=O)Nc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	1116356275	HMQNHQBAGMQEGP-UHFFFAOYSA-N	414.483	3.589	10	20	HHCD	
C[C@@H](NC(=O)c1cc2c(nc1O)CCC(C)(C)C2)c1ccc(N2CCOCC2)cc1	1253381173	QIFVFTMVLPXTCR-MRXNPFEDSA-N	409.530	3.630	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCNS(=O)(=O)c1ccccc1Cl	1321188539	VJXGMYMMRBVGHG-GDBMZVCRSA-N	408.951	3.861	10	20	HHCD	
CSc1cccc(N2C[C@H](C(=O)Nc3c(Cl)ccc4nonc34)CC2=O)c1	1325346365	UJJMGFHTFFSZKJ-SNVBAGLBSA-N	402.863	3.590	10	20	HHCD	
CSc1nc(C)c(CCC(=O)NCc2ccc(N3CCSCC3)cc2)c(C)n1	54035478	FPRDWKOYVVWNQS-UHFFFAOYSA-N	416.616	3.618	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CN2CCCCCC2=O)cc1	97012203	NIDONBXBDGOJMA-UHFFFAOYSA-N	409.530	3.697	10	20	HHCD	
Cc1nnnn1-c1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1F	110718323	UDEJVDLMUCOJJN-UHFFFAOYSA-N	408.412	3.909	10	20	HHCD	
O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC=C(c2c[nH]c3ncccc23)CC1	447814829	BXSXWNSFGITNTP-UHFFFAOYSA-N	419.485	3.597	10	20	HHCD	
CCOC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1	727244972	PUGCZOGNOGBOFE-UHFFFAOYSA-N	406.460	3.927	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21	728637460	LWDWFNWPQANXQC-HZPDHXFCSA-N	400.519	3.566	10	20	HHCD	
CCCN(CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1ccccc1O	728926687	BJTSUXIVXWJMAN-DEOSSOPVSA-N	412.530	3.889	10	20	HHCD	
O=S(=O)(CCCN(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1	731844192	BWSMWWDSGPISHU-UHFFFAOYSA-N	403.475	3.991	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c(C)n1-c1ccc(Cl)cc1	732782317	XDPUIHJDALGSPK-IBGZPJMESA-N	414.981	3.646	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CNc3cccc(Cl)c3)cc2F)C[C@@H](C)O1	733950348	BDEZQSGSNAREAB-HUUCEWRRSA-N	405.901	3.821	10	20	HHCD	
Cc1ccc(C(=O)OCc2nc(-c3ccc(Br)s3)no2)c(O)c1O	734030394	SSGPPGGJZIEXNV-UHFFFAOYSA-N	411.233	3.637	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(-n2cccn2)cc1	743711241	JEHRNWMGMSMQKP-IBGZPJMESA-N	419.529	3.612	10	20	HHCD	
COc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc2n1	745877920	HWADHNZTRFMJDO-LJQANCHMSA-N	421.497	3.840	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)[C@H](C)c3cccc(C(F)(F)F)c3)nc12	746125633	BDKYEACHPQAMPK-GFCCVEGCSA-N	422.407	3.823	10	20	HHCD	
O=C(NCc1ccccc1O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	748349954	NEWPEHFQWQALFD-UHFFFAOYSA-N	416.886	3.776	10	20	HHCD	
CN(c1ccc(CNC(=O)CCOc2cccc(C(N)=O)c2)cc1)C1CCCCC1	751360890	KVGPWGHMJUAQSA-UHFFFAOYSA-N	409.530	3.640	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2c(F)cc(F)cc2Br)c(OC)c1	752111122	LWLGFRNRMLRUMN-UHFFFAOYSA-N	415.234	3.819	10	20	HHCD	
C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cc2c(cc1O)CCCC2	756869376	UTXVMGUWTKBBJX-KRWDZBQOSA-N	409.530	3.715	10	20	HHCD	
COc1cccc(OC)c1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	756954193	SMXMCRVBHMEMPM-OAHLLOKOSA-N	420.456	3.633	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1COc2c(Cl)cccc21)c1ccc(N2CCOCC2)cc1	757652031	JIMSNJHWYGNPEW-IFXJQAMLSA-N	401.894	3.671	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1	760040536	SBBFVIAXTSAUPK-VSUDMRMVSA-N	401.478	3.742	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cccc(OCCF)c3)cc2F)CC1	760070388	FBSXYGGUOVKFBO-UHFFFAOYSA-N	418.488	3.638	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3cnc(C4CCC4)s3)SC2=S)cc1	760215799	MGNPZQPHUIDBJW-RIYZIHGNSA-N	401.538	3.915	10	20	HHCD	
CC[C@@H](C)Oc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccn1	761855916	VGDMNUZMFGUJKY-CYBMUJFWSA-N	403.866	3.582	10	20	HHCD	
O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(N=Nc2ccccc2)cc1	762337194	FEAOPDKDMWFHEP-UHFFFAOYSA-N	419.441	3.774	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	765319962	DLSKMCUEQIGQFA-GMAHTHKFSA-N	409.530	3.585	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)c3c(C)noc3n2)cc1	767783959	BYYTVBLRKRXIKS-UHFFFAOYSA-N	403.438	3.890	10	20	HHCD	
CCOc1cccc(CN(C)CC(=O)Nc2ccc(Br)cc2C)c1O	768181570	XUYVSMSYNJJKBA-UHFFFAOYSA-N	407.308	3.932	10	20	HHCD	
Cc1ccc2nc(COc3cccc(C(=O)NCCc4ccc(O)c(O)c4)c3)cn2c1	768904362	WMWZCRIKIUWNFX-UHFFFAOYSA-N	417.465	3.605	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccc(N2CCOCC2)cc1	769065421	RNVOZBZNCCIJBZ-ICSRJNTNSA-N	401.551	3.765	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCOC2(CCCCC2)C1	769173433	PHBOLLXPVMKXQP-FQEVSTJZSA-N	401.551	3.547	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(F)cc4nc(C)c(C)nc34)c2)CC1	770144226	UJTFAOPGILCCNP-UHFFFAOYSA-N	407.493	3.780	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(Br)nc3C)CC2)cc1F	774074216	QNJDCSFIBUDXNN-UHFFFAOYSA-N	423.286	3.654	10	20	HHCD	
Cc1ccsc1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	774188120	PGGLLCAKWVQNIC-UHFFFAOYSA-N	420.446	3.713	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1O	775010921	GXWUDYCEBVXHKE-INIZCTEOSA-N	423.872	3.856	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1	775220413	ONAQQVAICWZSKU-HNNXBMFYSA-N	409.964	3.662	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	778926936	HKTUGQZQGBYZBL-IFXJQAMLSA-N	400.475	3.616	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3cn4c(n3)CCCC4)n2)cc1	779798541	OUJHTCHIXNQSKJ-UHFFFAOYSA-N	404.517	3.542	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@H](COc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	779984435	HRAQLPRUDCGEJK-UXHICEINSA-N	409.530	3.695	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ncnc4ccc([N+](=O)[O-])cc34)cc2F)C[C@@H](C)O1	782143947	WNTMKSLJDLHXGX-OKILXGFUSA-N	411.437	3.903	10	20	HHCD	
COc1cc(N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)cc(OC)c1OC	784152515	IHROMMYHYDMTIJ-CQSZACIVSA-N	415.408	3.607	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1F	784457570	LJYQICYKYKIJBN-UHFFFAOYSA-N	415.444	3.513	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](c3ccccc3)C(C)C)cc2)CC1	786261383	CWFINQJWEPFEOS-DEOSSOPVSA-N	407.558	3.801	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccc(S(C)(=O)=O)s2)c1O	786963520	USXLVOLPZFGNMD-JTQLQIEISA-N	404.351	3.779	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1	789372768	ZTQYAFIJNHDFEY-LNLFQRSKSA-N	424.570	3.902	10	20	HHCD	
CC(C)OCCOCc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	789835213	LVTLHTRPSQQJMI-INIZCTEOSA-N	402.491	3.792	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(C(=O)Nc4ccccc4)c3)CC2)cc1	794764689	VSKBFBOPNITQGD-UHFFFAOYSA-N	415.493	3.910	10	20	HHCD	
Cc1noc(CCCNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1	799916478	JABLURXKLFMMFH-CQSZACIVSA-N	405.930	3.700	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnc(Br)cc1C	802609472	BJGXLYXDHGQZFO-UHFFFAOYSA-N	420.307	3.626	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(C)C)c(OC)c1	802609801	KVMSKTNKYSGKPU-UHFFFAOYSA-N	414.502	3.955	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1	804750894	NMIGXWHZIZGXRV-HOKKKISVSA-N	407.388	3.648	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2C[C@H]3CCC[C@@H](C3)C2)c([N+](=O)[O-])c1Br	804786005	SYSRQYNWCVSMIR-UWVGGRQHSA-N	400.229	3.901	10	20	HHCD	
CCOc1cc(C)ccc1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805023385	GRTGYSGQDXJQMQ-UHFFFAOYSA-N	423.557	3.563	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(OC(F)(F)F)c1	807513107	UKCRVUMEABMWMB-UHFFFAOYSA-N	423.174	3.853	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1	807837184	FLSLQDWSXZCPRU-GFCCVEGCSA-N	414.333	3.679	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@@H](C)C3	808016309	ZYUKLTMMCWZRPY-GFCCVEGCSA-N	406.573	3.879	10	20	HHCD	
CNC(=O)[C@H](CCSC)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	809314188	ZIFJRHAGBZQHQB-IBGZPJMESA-N	413.547	3.766	10	20	HHCD	
COc1cccc(CNCc2cn(-c3ccc(Br)cc3)nc2C)c1O	809740214	PTYLEINESLXZSM-UHFFFAOYSA-N	402.292	3.947	10	20	HHCD	
COc1ccc([C@@H](O)C2CCN(C(=O)NCCCSc3nccs3)CC2)cc1	813099428	SLWONCPZGZSIQD-GOSISDBHSA-N	421.588	3.789	10	20	HHCD	
CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	857758543	KECOGYILNGIORG-VQTJNVASSA-N	409.574	3.783	10	20	HHCD	
O=C(NC[C@@H](c1ccccc1)N1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	915878135	KCLXQMLUXLPNQC-GOTSBHOMSA-N	423.557	3.920	10	20	HHCD	
CN(CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Cc1ccccc1	916197075	MUTBNESAZBFFKG-QFIPXVFZSA-N	411.546	3.605	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)c(C)n1-c1ccccc1	916220858	FLBMRQKENLZHQV-JOCHJYFZSA-N	422.573	3.584	10	20	HHCD	
COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)SC1=S	916662806	JSGHNKPYAUDNGT-RGEXLXHISA-N	412.536	3.938	10	20	HHCD	
Cc1cccc(N(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C	917406368	ZPIVBRIZOFPPQS-QZTJIDSGSA-N	413.537	3.809	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(-n3nccn3)nc2)cc1	919652638	BQLCAVWPOUZVRZ-UHFFFAOYSA-N	417.473	3.556	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c[nH]c(Br)c1	1318612907	BNHUNIPDFYOXII-UHFFFAOYSA-N	414.250	3.777	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2c(F)cc(F)cc2OC)n1	1318677638	FLGRKMMTNPQYQT-UHFFFAOYSA-N	412.439	3.906	10	20	HHCD	
COc1ccccc1S(=O)(=O)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1322166816	CVCGMOYRYALHNC-UHFFFAOYSA-N	418.902	3.875	10	20	HHCD	
O=C(CCc1nc(-c2cccs2)no1)NCc1ccc(N2CCSCC2)cc1	54035446	GPPCRRAQCUTTDR-UHFFFAOYSA-N	414.556	3.600	10	20	HHCD	
Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	302935978	JFTZTLNMCCFQGC-UHFFFAOYSA-N	419.525	3.718	10	20	HHCD	
Cc1sc2ncnc(SCC(=O)N3CCOc4cc(N(C)C)ccc43)c2c1C	437009347	HASSSGIKRRMUAR-UHFFFAOYSA-N	414.556	3.892	10	20	HHCD	
CN(CCCNC(=S)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	726444221	MGBQLPHEBKKAPT-OAQYLSRUSA-N	413.587	3.774	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NCc3ccc(N4CCOCC4)cc3)CC2)cc1	726608100	MIOPVPKGKCDKCM-UHFFFAOYSA-N	417.500	3.883	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1	729063975	MTHQMKZQESMNGX-NSHDSACASA-N	411.483	3.704	10	20	HHCD	
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCc1ccc(N3CCC(C)CC3)cc1)C2=O	731016692	OHMDDJKUKPRFDN-GOSISDBHSA-N	419.525	3.532	10	20	HHCD	
CCn1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cn1	734043826	MZBNJTQHBJWTLV-UHFFFAOYSA-N	417.412	3.952	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1	734502272	MGCUXJWUWBRCBX-UHFFFAOYSA-N	403.548	3.524	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(Br)sc2Br)c1O	735115087	DAGLZRRSUZBDIL-UHFFFAOYSA-N	421.110	3.917	10	20	HHCD	
CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	736474783	LCQJSMMFSGOYBS-RBUKOAKNSA-N	417.481	3.772	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(Oc4cnccn4)c3)CC2)cc1	736482512	RMXVJVYELSWUDC-UHFFFAOYSA-N	404.470	3.676	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(cnn2C(C)C)c1	737117396	QBLKPPNIAJKRMH-UHFFFAOYSA-N	407.518	3.670	10	20	HHCD	
Cc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1-n1cccc1	739768400	SABNSLRJEQOVKB-UHFFFAOYSA-N	402.498	3.740	10	20	HHCD	
COC(=O)CCCc1nnc(NC(=O)c2sccc2-n2c(C)ccc2C)s1	739830375	SJQKVSYCOSUBHA-UHFFFAOYSA-N	404.517	3.755	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1F	740823728	JGXXVZFLEXEYIF-UHFFFAOYSA-N	412.914	3.659	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2ccco2)on1	742799454	AXZDPPPDHPVINH-ZDUSSCGKSA-N	403.385	3.935	10	20	HHCD	
CC1CCC(N2C[C@@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)CC1	743432914	VRGCTGFDRGAPKB-SYYJFZTOSA-N	410.514	3.941	10	20	HHCD	
CCOC(=O)c1c(C)oc2ncnc(Nc3nc(-c4ccc(O)c(O)c4)cs3)c12	752628228	LFXAQCGCRAEFPC-UHFFFAOYSA-N	412.427	3.986	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc4c(OC(F)F)cccc4[nH]3)CC2)cc1F	753731473	OLHRDZYGWMIVRR-UHFFFAOYSA-N	419.403	3.879	10	20	HHCD	
CCn1ncc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1-c1ccccc1	756843097	ZQKVZGVHEBVYOP-UHFFFAOYSA-N	408.477	3.680	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@@H]1CCCS1	756979840	JQALKIWOMKCUEV-LFGHMXSPSA-N	412.627	3.741	10	20	HHCD	
COc1cc(Br)c(COC(=O)/C=C/c2ccc(O)c(O)c2)cc1OC	759588252	KABDZQZPIVXRPU-GQCTYLIASA-N	409.232	3.634	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1	761972027	FTHUUFRTFUQAIU-IFXJQAMLSA-N	400.475	3.844	10	20	HHCD	
CCn1c(CNC(=O)NCc2cccc(Br)c2O)nc2ccccc21	764759231	WHUOELBJBWMKME-UHFFFAOYSA-N	403.280	3.524	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(N2CCOC2=O)cc1	765287808	UFRIXCOCDKQART-GOSISDBHSA-N	409.530	3.703	10	20	HHCD	
COc1ccc2c(c1)CCCCN2Cc1nc(O)c2cnn(-c3ccccc3)c2n1	766269650	MQPLDWWNCFDLBF-UHFFFAOYSA-N	401.470	3.873	10	20	HHCD	
COc1cccc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1O	768179565	FUZAFTWRSKLNTH-UHFFFAOYSA-N	411.380	3.650	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@]1(C)CCO[C@H]1C1CC1	768528906	LUXGLWXJTVEELK-PKOBYXMFSA-N	411.340	3.891	10	20	HHCD	
COc1ccc(CN2CCCN(Cc3ccc(N4CCCCC4)cc3)CC2=O)cc1	768536668	ZRXWYJNVWQYGTF-UHFFFAOYSA-N	407.558	3.920	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769195289	NBVHNKHVBMXQGR-GOSISDBHSA-N	418.538	3.932	10	20	HHCD	
COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)C2CCC(O)CC2)c1	769304713	CADKHHLQUYTDKU-UHFFFAOYSA-N	410.558	3.838	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1ccc(OC)cc1OC(F)F	769381128	LMRQYQYCVXNSCF-UHFFFAOYSA-N	415.820	3.831	10	20	HHCD	
COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1ccc(N2CCOCC2)c(F)c1	769388107	QBPCVRIQXXIGDQ-UHFFFAOYSA-N	422.447	3.506	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(OC)c(Br)c3)c2)CC1	770146961	JPZPIZRWHLKWKR-UHFFFAOYSA-N	418.335	3.852	10	20	HHCD	
COc1c(F)ccc(F)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771059470	RQKDBPARPSSPDY-AWEZNQCLSA-N	410.848	3.727	10	20	HHCD	
Cc1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1F	772450304	OWQCPODVJDRCHJ-UHFFFAOYSA-N	423.492	3.820	10	20	HHCD	
CN1CCN(CCCCNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	772646646	KFJKBSKWLVXSSC-UHFFFAOYSA-N	422.577	3.925	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)csc1Br	773063292	OELCZKCQFAPJQI-UHFFFAOYSA-N	423.376	3.958	10	20	HHCD	
Cc1nc(CN2CCC(CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)oc1C	773295451	YYDPXOAVRIFGAO-KRWDZBQOSA-N	413.566	3.630	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1cc(Cl)c(Cl)cc1O	774253802	NPOHSSUEDFSWPZ-CYBMUJFWSA-N	410.345	3.841	10	20	HHCD	
CC[C@@H](NCC(=O)Nc1ccc(I)cc1)c1ccccc1O	775414206	FCFPOTJYXYDMNJ-OAHLLOKOSA-N	410.255	3.676	10	20	HHCD	
COC(=O)CN(Cc1nc2ccc(OC)cc2s1)Cc1cc(Cl)ccc1O	775631815	KCDLTDCACKHXFX-UHFFFAOYSA-N	406.891	3.839	10	20	HHCD	
COc1cc(N[C@H]2CCCN(Cc3ccc(N4CCN(C)CC4)cc3)C2)cc(OC)c1	775724249	MSCCYAXPAJZGCB-NRFANRHFSA-N	424.589	3.532	10	20	HHCD	
CC(=O)c1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(F)c1	777418126	GDDWDBBKMKXICS-QGZVFWFLSA-N	404.869	3.782	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(OC2CCCC2)nc1	782041171	IRRCSIPFTHGPEK-UHFFFAOYSA-N	418.877	3.577	10	20	HHCD	
COC(=O)c1sccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1	783484448	CQMHKPHZIWLYCU-AWEZNQCLSA-N	423.494	3.850	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc2c1OCO2)c1ccc(N)cc1	783485155	HECOBNVGLUZKRM-HNNXBMFYSA-N	403.438	3.730	10	20	HHCD	
CCOc1ccc(CNc2ncn(Cc3ccc(Br)cc3)n2)c(O)c1	783638461	QSNPWVIPLXONRH-UHFFFAOYSA-N	403.280	3.805	10	20	HHCD	
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)OCC(=O)c1ccc(O)c(O)c1	784197704	HUCCNDAFTPKOCQ-SNVBAGLBSA-N	411.223	3.604	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2oc3ccccc3c2c1	785294246	LSXSIGWLALYMTQ-CYBMUJFWSA-N	404.422	3.683	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1	785421639	DYICLNHLPRLLPP-IBGZPJMESA-N	421.463	3.901	10	20	HHCD	
Cc1ccc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1	788797070	CXOQELXWHRRHTQ-QGZVFWFLSA-N	404.461	3.802	10	20	HHCD	
O=C(NCc1ccc2ncccc2c1)C(=O)N(Cc1ccccc1O)C1CCCCC1	789697391	UKVJPXVOKMZYLH-UHFFFAOYSA-N	417.509	3.918	10	20	HHCD	
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1ccc(N2CCN(C)CC2)cc1	789767490	AWKXABKIWYAXSV-LJQANCHMSA-N	408.546	3.588	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCC(Oc3ccc(F)nc3)CC2)c1O	790466571	STERDYMJSYXLKN-UHFFFAOYSA-N	422.456	3.906	10	20	HHCD	
COc1cccc(CNC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)c1O	790632708	QZAPMLLHTBWDPW-UHFFFAOYSA-N	400.475	3.997	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c(C)n1-c1ccccn1	791038933	OWNVBADDWBXLHH-UHFFFAOYSA-N	412.497	3.870	10	20	HHCD	
Nc1c(Cl)ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1Cl	791373134	HAZGPCPMZFKJEO-UHFFFAOYSA-N	412.292	3.606	10	20	HHCD	
COc1cc(C(F)(F)F)ncc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	792508901	BKVVHKDDYVDLSV-CYBMUJFWSA-N	424.423	3.828	10	20	HHCD	
C[C@H]1CN(Cc2cc(Br)cc(Br)c2O)C[C@@H](C2CC2)O1	793213499	DMSHSWRELOIWOI-XPTSAGLGSA-N	405.130	3.917	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](OC(C)C)c3ccccc3)cc2F)CC1	794295044	GPLBKDZTUMLGSP-HSZRJFAPSA-N	413.537	3.750	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCCO1	802337178	JSOLUWIRFMBCSL-HXUWFJFHSA-N	409.534	3.614	10	20	HHCD	
O=C([C@H](O)c1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	802839268	IGNTVJPDCCFFLD-PKOBYXMFSA-N	409.404	3.652	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3c(C)c(C(F)(F)F)nn3C)CC2)cc1	806421729	YIBGANWIQHFNOS-UHFFFAOYSA-N	411.428	3.546	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N=c3ccnc4n(C)[nH]cc3-4)cc2Cl)C1	806487024	NRFDCNGALBZRTB-CQSZACIVSA-N	412.925	3.553	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2nc(-c3ccco3)cs2)C2CC2)cc1	806856829	MTWRNVNIIBFSGF-UHFFFAOYSA-N	410.499	3.599	10	20	HHCD	
COc1ccc(C[C@@](C)(O)CNCc2cc(Cl)cc(Cl)c2O)cc1OC	810174663	WMZRUOSVOATZHW-LJQANCHMSA-N	400.302	3.800	10	20	HHCD	
COCc1nc(CNCc2cc(Br)cc(Br)c2O)cs1	811513616	LLCRKDIMPCTHEE-UHFFFAOYSA-N	422.142	3.810	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	815835379	QWRXSTBYRIRDDT-IBGZPJMESA-N	418.969	3.763	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1	818787354	CHCCDSJPUKBWMO-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CC(C)(C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)cc1	857437724	DJQOSADAPIETEY-QGZVFWFLSA-N	408.495	3.810	10	20	HHCD	
Cc1cc(C(=O)N(C)CC(=O)N2CCCC2)c(C)n1-c1ccc(Br)cc1	913181490	XQKJYCCRQOJRBM-UHFFFAOYSA-N	418.335	3.551	10	20	HHCD	
CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	914904621	BKFAYBSMBNWLGT-UHFFFAOYSA-N	409.461	3.834	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cn4cccn4)cc3)cc2F)C[C@H](C)O1	917715877	YBGIGKFFVLMVDI-ROUUACIJSA-N	422.504	3.614	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)cc1	917751567	HLJCWCRASLMAHW-UHFFFAOYSA-N	410.561	3.838	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1	917916563	PBTHMIBEOLEPSH-UHFFFAOYSA-N	402.438	3.910	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCCn3c(C)nc4ccccc43)CC2)cc1	918060659	SRTUFWZNEALLQZ-UHFFFAOYSA-N	421.545	3.665	10	20	HHCD	
O=C(Nc1ccc2ccccc2c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918295919	TWCCYTGJKFRAQE-NRFANRHFSA-N	404.466	3.692	10	20	HHCD	
Cc1occc1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	919855484	SUJPAGGYUAJXHR-XNTDXEJSSA-N	406.554	3.947	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C/c3ccc(OC[C@H]4CCCO4)cc3)SC2=S)CC1	920471827	FPFRKDBLTSRRNW-ZJYZBMPFSA-N	418.584	3.540	10	20	HHCD	
CCN(Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccc(OC)c(OC)c1	921061960	PCJQHQAVWZJSBV-UHFFFAOYSA-N	420.510	3.873	10	20	HHCD	
COc1ccccc1-c1nnc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)o1	1319216051	YDOCCSXMSGBZSJ-UHFFFAOYSA-N	404.426	3.905	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3nc(Br)ccc3C)CC2)cc1	1326162455	RJOXNTUDYMKBMW-UHFFFAOYSA-N	404.308	3.514	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C3(c4cccc(Br)c4)CC3)CC2)cc1	302943194	KKXDGYYWOMCLDJ-UHFFFAOYSA-N	415.331	3.838	10	20	HHCD	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	303325388	BPACFHUENJGBQT-LAUBAEHRSA-N	400.494	3.732	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)n(C)c2ccccc12	472225531	QKWRPBRCGPDSBC-UHFFFAOYSA-N	419.529	3.982	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC(F)F)c3)SC2=S)cc1	726628186	VIANFTHOXJIUQY-NTEUORMPSA-N	406.435	3.793	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(F)cc1C(F)(F)F	728139392	PUMCRRCAYCHHOT-UHFFFAOYSA-N	409.383	3.700	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCCC(=O)N2CCc3ccccc32)C2CC2)cc1	732475590	HRZPUBAXENDWIJ-UHFFFAOYSA-N	420.557	3.796	10	20	HHCD	
Cc1cc(CC(=O)Oc2ccc(OCC(N)=O)cc2)c(C)n1-c1ccc(Cl)cc1	739650591	WRAMNPBZRNQTMC-UHFFFAOYSA-N	412.873	3.760	10	20	HHCD	
CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1	740800721	BWFMAZNJMVVYEQ-UHFFFAOYSA-N	417.531	3.501	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]3c3ccccc3C)CC2)cc1	742940715	WMBSYQZCOVRVEU-XMMPIXPASA-N	422.573	3.672	10	20	HHCD	
O=S(=O)(Nc1ccc(N=Nc2ccccc2)cc1)c1cccc(-n2cnnn2)c1	743729434	FWAFHKXYQDATRS-UHFFFAOYSA-N	405.443	3.879	10	20	HHCD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	743957793	ANPKISRHGSWNDK-UHFFFAOYSA-N	416.905	3.968	10	20	HHCD	
CSc1ccc(F)cc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	745653644	XIRFGJFKFCWZSG-UHFFFAOYSA-N	417.550	3.756	10	20	HHCD	
O=C(NCCOc1ncccc1C(F)(F)F)NCc1c(O)ccc2c1CCCC2	746795469	JVTQMPSDVYKDDU-UHFFFAOYSA-N	409.408	3.563	10	20	HHCD	
CCOc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3O)cc2)cc1	748482305	SCBPCWIVCOOBEU-UHFFFAOYSA-N	406.438	3.838	10	20	HHCD	
O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1c(-c2ccccn2)nc2ccccn12	751306998	DMOXDTXGWOKXHD-KRWDZBQOSA-N	411.465	3.926	10	20	HHCD	
CC(C)(C)O[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	753963375	ITUSLDWSBFEHDX-OAQYLSRUSA-N	400.494	3.835	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1nc(-c2ccc(Br)s2)no1	759595940	SGKGLTMBWRHPOT-QHHAFSJGSA-N	423.244	3.728	10	20	HHCD	
C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	765008502	BCMGTJAVDISYFR-XMSQKQJNSA-N	411.521	3.677	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnc(-c4ccccc4)nc3C)CC2)cc1F	765504006	RVUMGFIIXTXNGD-UHFFFAOYSA-N	406.461	3.562	10	20	HHCD	
O=C(Cc1ccc(Br)c(F)c1)NCc1cccc(Br)c1O	765751144	PPSAUPSPEHKXKV-UHFFFAOYSA-N	417.072	3.915	10	20	HHCD	
Brc1ccccc1[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	769151671	HHVLBZVDJOMANY-NRFANRHFSA-N	417.347	3.859	10	20	HHCD	
Cc1ccc(N(CCC(=O)NCc2ccccc2O)S(=O)(=O)c2ccccc2)cc1	769363065	MZLBQEOBSRNKEQ-UHFFFAOYSA-N	424.522	3.602	10	20	HHCD	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769943080	QQFIIEPXFZVREK-STQMWFEESA-N	410.923	3.681	10	20	HHCD	
CC(C)Oc1cncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	771056638	FTWIRRQSHLEQPP-GOSISDBHSA-N	403.910	3.622	10	20	HHCD	
CN1CCN(c2ccc([C@H]3Nc4ccccc4C(=O)N3Cc3ccco3)cc2)CC1	771520186	FWVWIXUHRVOEAM-QHCPKHFHSA-N	402.498	3.798	10	20	HHCD	
CC[C@H](O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1	772589135	FEFIAIOYHIYVMJ-QFIPXVFZSA-N	413.587	3.723	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)c1O	775063372	SJJUOLAQKWZHLW-QGZVFWFLSA-N	402.838	3.575	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C/c3cc(Br)nn3C)SC2=S)c1	778248467	QXNSPUWCLSBILA-GHXNOFRVSA-N	410.318	3.597	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCO[C@H](c4ccc(F)cc4F)C3)ccc21	779550567	TUMUIFBAPOHJSP-NRFANRHFSA-N	401.457	3.630	10	20	HHCD	
COC(=O)c1ccc2[nH]cc(C(=O)CN(Cc3ccccc3O)C[C@H]3CCCO3)c2c1	781897116	NVWLMSPTPGCCMH-GOSISDBHSA-N	422.481	3.524	10	20	HHCD	
CCCCn1nccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782429091	FBGDTNDPHUEKBO-UHFFFAOYSA-N	423.517	3.510	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c2cccnc12	783316105	HXWSUTIMXWCZLD-UHFFFAOYSA-N	404.514	3.985	10	20	HHCD	
O=C(CCCOc1ccc2c(c1)NC(=O)CC2)NCc1c(O)ccc2c1CCCC2	787451206	WNFQFEMXDGMROS-UHFFFAOYSA-N	408.498	3.631	10	20	HHCD	
CCOc1c(Cl)cccc1CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	790761495	UQFNAMGOCAHRBQ-UHFFFAOYSA-N	406.885	3.778	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccnn3-c3ccccc3)cc2F)C[C@H](C)O1	791528420	VYLKJDHXBYQNBK-IRXDYDNUSA-N	408.477	3.555	10	20	HHCD	
COc1ccc(CNC(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)c(O)c1	794378138	XUKPNACVZKSHOB-QHCPKHFHSA-N	407.466	3.720	10	20	HHCD	
CN(C)c1ccc([C@@H](CN[C@H]2CCCc3nn(C)cc32)NC(=O)OC(C)(C)C)cc1	794816214	YBSZVSJADUWEDP-PZJWPPBQSA-N	413.566	3.719	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)cc2Cl)C1	800572203	UZTPSEAVZUMRHB-JXFKEZNVSA-N	413.953	3.652	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Cn1cnc2c(oc3ccccc32)c1=O	801547811	ABNGYGVWHNILJD-UHFFFAOYSA-N	405.454	3.677	10	20	HHCD	
CCCC1CCC(N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	803300616	JNIILMLYTJMNKX-JSOIOWGOSA-N	415.578	3.518	10	20	HHCD	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1	807097270	XPSPPXKQLFMVDZ-GOTSBHOMSA-N	407.558	3.780	10	20	HHCD	
COc1cc(C)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)c1C	807513397	NBWRZKOHURDMCF-UHFFFAOYSA-N	411.285	3.888	10	20	HHCD	
CC(=O)N[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1F	807838244	LXHJJGVFZOVHNF-INIZCTEOSA-N	417.239	3.861	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(F)(F)[C@@H](CO)C2)c(C)n1-c1ccc2c(c1)CCC2	812858957	GETFGOURDMKGGA-LJQANCHMSA-N	402.485	3.715	10	20	HHCD	
Cc1cc(C(=O)NCCCc2nnc(S)n2C)c(C)n1-c1cccc(C(C)C)c1	818237106	LCXJGISWUUJQOH-UHFFFAOYSA-N	411.575	3.997	10	20	HHCD	
COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	820267759	HHXRSNQQSFDMKD-JOCHJYFZSA-N	405.498	3.620	10	20	HHCD	
COc1ccc(NC(=N)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1OC	849069933	WDNSZNKKVGLVKL-HUUCEWRRSA-N	416.497	3.593	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)n2)c(C)c1	914790730	VCEOXVNGOAGUIM-UHFFFAOYSA-N	401.513	3.635	10	20	HHCD	
CCc1nc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1	920279602	HIIZNEISQGSMMI-GJZGRUSLSA-N	420.554	3.800	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1O	1116165309	WXTMSKYKMZBZET-LJQANCHMSA-N	406.486	3.522	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(Cc4cc(C)on4)CC3)ccc21	1318245215	NXJIHGKCEWHLGG-UHFFFAOYSA-N	424.545	3.549	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(F)c3F)C2=O)cc1	1320068591	LZWRUJQYNPLHAV-ZROIWOOFSA-N	411.476	3.774	10	20	HHCD	
O=C(COC(=O)c1cc(F)cc(F)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21104075	KUOMTBCYWGBWER-UHFFFAOYSA-N	421.355	3.536	10	20	HHCD	
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	227372841	AOTYZQWUZGQZEW-NFBKMPQASA-N	422.573	3.500	10	20	HHCD	
CN(Cc1ccccc1O)c1nc2cccnc2nc1N(C)Cc1ccccc1O	302689018	YZFFUSKQHAYKPW-UHFFFAOYSA-N	401.470	3.709	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(C)n1Cc1ccccc1	302921003	KLAWRZIOKKKCAM-UHFFFAOYSA-N	423.586	3.842	10	20	HHCD	
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)Cc2ccccc2O)cc1	303359826	IWTLZAYTVNDLHL-UHFFFAOYSA-N	418.497	3.751	10	20	HHCD	
Cc1cc(C(=O)NCc2nncn2C(C)C)c(C)n1-c1ccc(Br)cc1	303503495	MUGMNQRIVWEWED-UHFFFAOYSA-N	416.323	3.959	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cccc(COCC3CC3)c2)n(C)c2ccccc12	472780199	ACTRBFWCAMOMIV-UHFFFAOYSA-N	405.498	3.668	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4cc(C)ccn4)CC3)ccc21	481931773	KULNRQWRGARFRB-UHFFFAOYSA-N	406.530	3.570	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	483344164	BQJTXGQZQGIYTE-UHFFFAOYSA-N	421.541	3.683	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3Cn3cncn3)ccc21	483415735	OZLMXYXBJXHWNW-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
Cc1[nH]c2ccccc2c1C1=CCN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC1	564561831	NNHSFTRXPWEYFL-GOSISDBHSA-N	403.530	3.769	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=S)NCCc2ccc3c(c2)OCCO3)cc1	726746065	DVMDTRAYITUBRZ-UHFFFAOYSA-N	413.587	3.853	10	20	HHCD	
COc1cccc(O)c1CNC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1	728774672	VMGNVJSNGXSMPS-IBGZPJMESA-N	404.938	3.996	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCc4ccccc4C3)cc2F)CC1	732540215	CYENEXBYYFAVES-LJQANCHMSA-N	409.549	3.779	10	20	HHCD	
Cc1cc(C(=O)N2CCC(OCCN(C)C)CC2)c(C)n1-c1cccc(Cl)c1	733156403	KQQGTXBOFGYCFL-UHFFFAOYSA-N	403.954	3.930	10	20	HHCD	
CCc1nnc(COC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1C	735899828	AZVXINYONDFNLR-UHFFFAOYSA-N	417.307	3.905	10	20	HHCD	
CCOC(=O)N1[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1c1ccc(C)o1	736547651	RNKBPUHHDAZRQL-UXHICEINSA-N	413.518	3.975	10	20	HHCD	
Cc1noc(-c2ccccc2C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	741909734	QDFZZKAGPURKRY-HUUCEWRRSA-N	424.476	3.728	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743098683	PNTXLWUSIBSGNS-MRXNPFEDSA-N	419.428	3.865	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H](COCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	743565388	WATMXSBQFQDELL-UNMCSNQZSA-N	423.557	3.833	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)Cc1cccs1	743650005	WIQUSPYRXDKSLR-KRWDZBQOSA-N	401.576	3.635	10	20	HHCD	
Cc1cc(CC(=O)N[C@@H](C)C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1	743696849	WIWJMIHXYILDRN-HNNXBMFYSA-N	413.905	3.704	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc21	746986052	UZIUKAMYIGISKQ-OAQYLSRUSA-N	409.530	3.665	10	20	HHCD	
CC(C)CCN1CCC(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1	751085339	UZLAJANEVRLSDG-UHFFFAOYSA-N	418.651	3.797	10	20	HHCD	
Cc1cc(C(=O)CN2CCC3(CC2)CNC(=O)C3)c(C)n1-c1ccc(F)c(Cl)c1	752303124	ZQSKQOZYQMSVMJ-UHFFFAOYSA-N	417.912	3.671	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3cccc(F)c3)cc2F)C[C@H](C)O1	753796371	WUUUGIGIOIDVJF-GJZGRUSLSA-N	406.498	3.987	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCCCC4)nc3)CC2)cc1F	753877075	RWHRTKSUMGXVAA-UHFFFAOYSA-N	413.497	3.574	10	20	HHCD	
Cc1ccc(Cn2cccc(NC(=O)NCc3ccc(N(C)C)cc3C)c2=O)cc1	754468736	WDBZCRXUGLDSJR-UHFFFAOYSA-N	404.514	3.901	10	20	HHCD	
Cc1c(C(=O)N(C)Cc2ccccc2O)c(=O)oc2ccc(Br)cc12	755695244	QTICDQCTIVVMGE-UHFFFAOYSA-N	402.244	3.842	10	20	HHCD	
CCN1CCN(C[C@H](C)CN[C@@H](C)c2cc(Br)cc(Cl)c2O)CC1	756535455	QEMHHXNELBGEGY-KGLIPLIRSA-N	418.807	3.732	10	20	HHCD	
C[C@@H](NCC1CCN(C)CC1)c1cc(Br)cc(Br)c1O	756545587	NCFYPLXVUCKGOZ-SNVBAGLBSA-N	406.162	3.910	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCCCSc1nccs1)c1nc(-c2cccnc2)no1	759574269	NMHKAXRNIFXPQP-CQSZACIVSA-N	418.548	3.767	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)cc1	760029025	AHAXFHJUARPYPH-UHFFFAOYSA-N	415.501	3.983	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1SCCc2ccccc21	761581645	BGBWOFMFQVOYKS-SFHVURJKSA-N	402.903	3.840	10	20	HHCD	
Cc1cn2ccnc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(C)c(F)c4)c3C)c2n1	763616896	SPWFEGYXNYBRIR-UHFFFAOYSA-N	420.444	3.932	10	20	HHCD	
C[C@@H](N[C@H](c1ccc(F)cc1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764813882	GJPSSQBLVFTZBS-OPAMFIHVSA-N	412.484	3.975	10	20	HHCD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	764853439	DIUJCGMMHFHTOF-SCLBCKFNSA-N	404.942	3.660	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc(Br)ccc1F	765734947	ADIZERWBQAOORF-UHFFFAOYSA-N	403.045	3.986	10	20	HHCD	
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)N(C)Cc2ccccc2O)c1	768035552	UYEVEHAZNRIIKZ-UHFFFAOYSA-N	420.513	3.781	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O	768828413	YQDQRFWNGYXRDD-SFTDATJTSA-N	407.341	3.920	10	20	HHCD	
COc1cc(Br)cc(CN(C)Cc2cc(Br)cn2C)c1O	770328814	XCFORUBDSARPAQ-UHFFFAOYSA-N	418.129	3.896	10	20	HHCD	
Cc1nc([C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccc(Cl)cc2)no1	770739944	UKYJGOATIJQYNM-FQEVSTJZSA-N	416.884	3.886	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1	772940232	UKJFWTZZJYFJBL-UHFFFAOYSA-N	420.435	3.688	10	20	HHCD	
C[C@H](NC(=O)c1cc(F)ccc1I)c1ccc(N(C)C)cc1	773012285	GTDWYMFWYPPVND-NSHDSACASA-N	412.246	3.987	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCc2cc(O)ccc2C1	775071318	PEKSBZVCNUUUBQ-QGZVFWFLSA-N	419.319	3.949	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(O)(c2c(F)cccc2F)CC1	779525981	XYZLUYRMSDJEBG-UHFFFAOYSA-N	415.484	3.758	10	20	HHCD	
COC(=O)[C@H](C)CN(Cc1cc(Br)cc(Br)c1O)C1CC1	780892128	ADQGFNBXNAQQRQ-SECBINFHSA-N	421.129	3.691	10	20	HHCD	
COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(OC)c1C(C)C	781147306	GCWMFNOFJPBWSA-UHFFFAOYSA-N	412.530	3.936	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)ccc21	782719035	RPKVXPSBEJLKRX-KRWDZBQOSA-N	421.467	3.831	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncsc1-c1ccccc1	783653136	LDSBQXGXIRYEJH-UHFFFAOYSA-N	411.502	3.840	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Br)ccc1F	784027806	NIBOCCNFPVRUCE-UHFFFAOYSA-N	409.255	3.671	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(C)C)cc3)n2)o1	784099599	NJIRSNQLJVLGMX-UHFFFAOYSA-N	419.528	3.963	10	20	HHCD	
Cc1cccnc1C(F)(F)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	787446843	SONZBKRWHAIKKC-MRXNPFEDSA-N	409.864	3.622	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)c1	789463962	MSQRHXKCSGDLGC-QCQGSNGOSA-N	415.515	3.577	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc(CN(C)C)cc2)n1	789728056	SFIIESRTPGEMMI-UHFFFAOYSA-N	421.519	3.820	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(C2CCC2)cs1	789746979	FDNOAZUDUKCDBT-UHFFFAOYSA-N	400.548	3.852	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1	790672824	MNGBKXFMPJRQDC-KRWDZBQOSA-N	415.559	3.641	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC[C@H]1CCC(F)(F)C1)c2[N+](=O)[O-]	797557183	YQUZIYURJUOHKL-NSHDSACASA-N	414.364	3.535	10	20	HHCD	
C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(C(F)(F)F)c1O	798183600	OHQBWXDUNCEONM-XAUMDUMWSA-N	408.464	3.945	10	20	HHCD	
CO[C@@H]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@H](C)C1	799424137	IPQWWYSRGBQMDQ-JLSVBUMTSA-N	424.613	3.755	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1	802356892	ORGHSLBWFOYFJC-OAQYLSRUSA-N	424.545	3.794	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)ccc21	803686115	WLPBKOLAUJGSTA-IFMALSPDSA-N	405.542	3.528	10	20	HHCD	
COCCNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1	804340243	NSUIIUFVNQJOCU-UHFFFAOYSA-N	421.497	3.731	10	20	HHCD	
Cc1cccc(CCCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	805760643	NMSLQYLLKUYMMT-SFHVURJKSA-N	418.488	3.892	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC(C)(C)c2cccs2)cc1	806424699	TYIBGJJLUTWTRI-UHFFFAOYSA-N	401.576	3.647	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)ccc1O	811704764	JZYQDHONWDVZCK-UHFFFAOYSA-N	417.842	3.609	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(S(=O)(=O)N(C)C)cc2)c(C(F)(F)F)c1	863990926	KSPNWLIUGHXKPI-UHFFFAOYSA-N	401.454	3.634	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)N2CCSc3ccccc32)c(C)n1-c1ccccn1	914614251	WTZHECRDXJYPKM-UHFFFAOYSA-N	407.495	3.785	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2F)C[C@H](C)O1	917087005	SCQBFENGMSYUAQ-STQMWFEESA-N	404.398	3.868	10	20	HHCD	
COc1ccc(N2CCCN(Cc3nc(N)c4c5c(sc4n3)CCCC5)CC2)cc1	917210899	UCHOZNGQASZUPG-UHFFFAOYSA-N	423.586	3.873	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1	918027579	ORIRNWPMZBARPA-OAHLLOKOSA-N	420.435	3.729	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC3CCN(C(C)(C)C)CC3)cc2F)C[C@@H](C)O1	918096951	GZXCCTOMIYUIPE-CALCHBBNSA-N	420.573	3.501	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Br)ccc1F	919968311	BRBORIWJMBDJKO-UHFFFAOYSA-N	421.310	3.727	10	20	HHCD	
COc1cc(C(=O)Nc2c(Cl)ccc3nonc23)c([N+](=O)[O-])cc1OC(F)F	1320947053	QOUJKFSEWCTTNL-UHFFFAOYSA-N	414.708	3.647	10	20	HHCD	
Cc1cscc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2	1797047209	QZNXKECRYIWIFA-BTTYYORXSA-N	420.918	3.687	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3c[nH]c4cc(F)ccc34)CC2)cc1	51754773	AKVSERJNFUTOIL-UHFFFAOYSA-N	410.493	3.780	10	20	HHCD	
CN(C)c1ccc(CNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1F	58474703	QDDUACWPJWCPRT-UHFFFAOYSA-N	410.493	3.743	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC3CCN(C(=O)CC(C)C)CC3)c2C)cc1	303013259	KPEKAJIKMBLXNY-UHFFFAOYSA-N	411.546	3.870	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@@H](O)c3cc(Cl)cc(Cl)c3)ccc21	303679158	IMLOTPATBRIITE-LJQANCHMSA-N	408.329	3.909	10	20	HHCD	
CN1C(=O)CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc21	673987204	FWERHJFZLGLXNC-UHFFFAOYSA-N	409.449	3.558	10	20	HHCD	
O=C(CC1CCCCC1)NCCNC(=O)N(Cc1ccco1)Cc1ccccc1O	726261576	ZAQMANQLJJYPQG-UHFFFAOYSA-N	413.518	3.784	10	20	HHCD	
COc1cccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)c1	726801024	CNEXMXTWYURZNT-CPNJWEJPSA-N	413.520	3.910	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CCN(CCc2ccccc2)C1	728603948	UBMLKGFVDAMWFH-QHCPKHFHSA-N	406.574	3.651	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)COc2cccc(NC(=O)c3ccco3)c2)c1	728977771	CTBANVKNXZRIEM-AWEZNQCLSA-N	410.426	3.502	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN/C=C1\C(=O)N(c2ccccn2)C(=O)c2ccccc21	734414309	DRIXVRLWSDYELC-JWGURIENSA-N	412.493	3.774	10	20	HHCD	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	740456773	CKMOZQPTROVLNL-LEWJYISDSA-N	412.486	3.773	10	20	HHCD	
O=C(NCc1nc(C(F)(F)F)cs1)N(Cc1ccccc1O)C[C@@H]1CCCO1	741089990	LZSFJWLMDVLTFP-ZDUSSCGKSA-N	415.437	3.758	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3ccc(OC)c4ccccc34)CC2)cc1	742365345	OZOFKZHLSSGHIO-UHFFFAOYSA-N	406.482	3.585	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(F)c(F)c(F)c1	743046567	YKHFHUVMTVNYBE-UHFFFAOYSA-N	414.386	3.757	10	20	HHCD	
Cc1ccc([C@H](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)N(C)C)cc1	743334109	MRYPRHURVNVBJJ-YADHBBJMSA-N	411.546	3.694	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)n1-c1ccc(Br)cc1	743893372	OOCYTOJEBFCNHF-CYBMUJFWSA-N	420.351	3.890	10	20	HHCD	
Cc1ccc(F)c(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)c1	744412332	BAFNQCDHINCBCY-YBEGLDIGSA-N	407.513	3.943	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)cc2F)CC1	745808950	OQOXJEOJULZPJQ-XUVXKRRUSA-N	402.558	3.736	10	20	HHCD	
CN(c1ccccc1)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1[N+](=O)[O-]	747148472	ZFXSAURMPVLCDY-XMHGGMMESA-N	424.482	3.665	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c(C)c([N+](=O)[O-])c1	753127222	OXUOKNWFWWALRY-UHFFFAOYSA-N	412.446	3.612	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2cccc(OCCN(C)C3CCOCC3)c2)c1	756539426	NGOXMPVOVCPYJK-GOSISDBHSA-N	414.546	3.741	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1	756885939	MPQSZUPKVIJHTC-GFCCVEGCSA-N	410.392	3.952	10	20	HHCD	
O=C1/C(=C/c2cc3ccccc3s2)SC(=S)N1CCCN1CCOCC1	758415679	JOEAYHAAQASUJF-LGMDPLHJSA-N	404.582	3.825	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnccc2-c2ccccc2)cc1F	760221791	FZHNAVPMMYOHBW-UHFFFAOYSA-N	420.488	3.989	10	20	HHCD	
COc1cc(Cl)cc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)c1O	761202377	VBQNIZRFKLVCJM-UHFFFAOYSA-N	420.314	3.743	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCCc1ccc([N+](=O)[O-])cc1	761277567	JBYSFBTWEODYLD-UHFFFAOYSA-N	417.849	3.741	10	20	HHCD	
Cc1ccc(Br)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	764195773	IWVWLKHPKDNPNQ-UHFFFAOYSA-N	419.319	3.639	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)c(F)c1	765322880	NDWYJRXDWHDRAZ-SJLPKXTDSA-N	416.493	3.635	10	20	HHCD	
Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765981524	WFUNWTPGAXRSFZ-HNNXBMFYSA-N	421.632	3.835	10	20	HHCD	
COC(=O)CN(Cc1ccc(Oc2ccccc2)nn1)Cc1cc(Cl)ccc1O	766251300	NBECFTZOJPLKSO-UHFFFAOYSA-N	413.861	3.803	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3c(O)cccc3Cl)C2)cc1	769302256	QJFVZODHUSVFAG-MRXNPFEDSA-N	408.951	3.545	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCN(C)C3CCCCC3)cc2F)C[C@@H](C)O1	769688340	KGLUDELHBPRKTJ-QZTJIDSGSA-N	405.558	3.710	10	20	HHCD	
CC(C)(C)OCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1	769969140	PIYDIIPPMJCLMA-CQSZACIVSA-N	423.460	3.990	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C(F)(F)F)ccn2)cc1	772936355	GMEXZWQOLIZZGK-UHFFFAOYSA-N	408.424	3.544	10	20	HHCD	
COc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1Br	773089703	UJKUNCPAYAYUEE-LBPRGKRZSA-N	413.337	3.563	10	20	HHCD	
C[C@H]1CN(Cc2cccc(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)CCO1	773244860	IITLLXZTJZZNLG-RBUKOAKNSA-N	410.562	3.534	10	20	HHCD	
C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1	773622325	GNEBCLVPMYTXHO-HOTGVXAUSA-N	403.548	3.620	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)CC1	773856486	ISCXMHKEJHOIDO-GOSISDBHSA-N	408.546	3.805	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC4(CC3)CCN(C)C4=O)c2C)cc1F	773924725	XKLFHAXIEKPXMZ-UHFFFAOYSA-N	411.521	3.669	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccc(COc3ccccc3)cc2)c1	775370387	MBQCNHVWQOLAGC-GOSISDBHSA-N	420.509	3.947	10	20	HHCD	
CC[C@@H](Nc1ccc(OC)c(-n2cnnn2)c1)c1cc(Br)ccc1O	775546603	MLXSZSHOFHZHGV-CQSZACIVSA-N	404.268	3.702	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)c1ccc(N(C)C)cc1	775713212	HBTPLDNWCUWXHN-GFCCVEGCSA-N	411.474	3.976	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCS[C@@H]2COCC[C@H]21	775737065	OIOHCTFAWAMWTK-CHWSQXEVSA-N	423.170	3.624	10	20	HHCD	
C[C@@H](NCC(=O)NCCOc1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1	775831845	VHGHWCKNCAWTDF-OAHLLOKOSA-N	409.452	3.617	10	20	HHCD	
COC(=O)c1cccc(NC2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)c1	776236614	AASXNIGFQWMBEX-QGZVFWFLSA-N	424.545	3.886	10	20	HHCD	
C[C@H](NC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1)c1ccc(N(C)C)cc1	776240245	XZTUGZYYAYBOLK-KRWDZBQOSA-N	409.534	3.809	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NOC1CCCCC1	777458329	CJCVXQUYLBBOPG-UHFFFAOYSA-N	401.429	3.606	10	20	HHCD	
CC[C@@H](C)Oc1cc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)ccn1	777754259	HQNBYHDKRUMDLS-GOSISDBHSA-N	412.534	3.689	10	20	HHCD	
COc1cc(Br)cc(C)c1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	780607733	GREBLBIVJWZHIM-LLVKDONJSA-N	409.280	3.930	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1	788089866	IQJWCQDTOYBSAP-UHFFFAOYSA-N	423.538	3.596	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)C3CCC(O)CC3)cc2F)C[C@@H](C)O1	788287859	JUCRJVFSIWZPPK-CCZBSFLLSA-N	406.542	3.633	10	20	HHCD	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788937953	PYBAKBJRONINAL-VGSWGCGISA-N	409.505	3.652	10	20	HHCD	
CCOC(=O)c1csc([C@H]2CCCN2Cc2ccc(N3CCOCC3)c(F)c2)n1	792197054	OYNWNGIABRWKST-LJQANCHMSA-N	419.522	3.633	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccnn3-c3ccc(F)cc3)SC2=S)cn1	794859374	SRTLQCHDCDDOQW-MHWRWJLKSA-N	412.471	3.821	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(O[C@H]4CCN(C)C4=O)cc3C)CC2)cc1	798938633	HGZAIBCNVUVTDA-QHCPKHFHSA-N	409.530	3.694	10	20	HHCD	
O=C(NCCCc1c[nH]c2ccc(F)cc12)NCc1ccc(N2CCOCC2)cc1	799889859	TYGDZPNAAYYPMM-UHFFFAOYSA-N	410.493	3.576	10	20	HHCD	
Cc1noc(C)c1C(C)(C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	806457214	GVJOUPZZRSTCAL-KBPBESRZSA-N	418.513	3.779	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1	807543779	RVRWDDMFWCHRDR-FCHUYYIVSA-N	407.558	3.944	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)CCCOc1cccc(Cl)c1)c1ccc(N(C)C)cc1	807677030	KTHUHUYRAWKMNY-INIZCTEOSA-N	417.937	3.511	10	20	HHCD	
Cc1ccc(CN2C[C@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)CC2=O)cc1	807839414	DGEPKERZXGOIEC-OAHLLOKOSA-N	407.297	3.672	10	20	HHCD	
Cc1nnc(CCNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)s1	811587776	IGNNSOSGPVGOMF-UHFFFAOYSA-N	419.348	3.989	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ncccc2N(C)C)cc1	812536901	SEGRYSJTFOKQNQ-UHFFFAOYSA-N	407.518	3.719	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](C)c3ccc(N4CCCNC4=O)cc3)CC2)cc1	812742980	YVISRWFCUXSUKX-GOSISDBHSA-N	408.546	3.935	10	20	HHCD	
COc1ccc(N2CCC(NCc3cc4c(cc3OC(F)F)OCO4)CC2)cc1	812837748	ISBOEMUBNFUMCR-UHFFFAOYSA-N	406.429	3.784	10	20	HHCD	
C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)C1=O	815156153	VZYJYHOACOJKKT-SJKOYZFVSA-N	421.856	3.935	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1O	815567921	PWWIWIHEUKFRIH-CQSZACIVSA-N	408.420	3.734	10	20	HHCD	
COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc2O1	913266810	JCWQVXNEGATCNS-QFIPXVFZSA-N	404.466	3.983	10	20	HHCD	
Cc1cc(C)n([C@H](C)CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	916458101	VBCSYIFCAKHISY-MRXNPFEDSA-N	424.467	3.623	10	20	HHCD	
CNC(=O)c1ccc(Cl)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	916680208	AKPLETDAEACMNZ-MRXNPFEDSA-N	417.893	3.618	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(C)nc4c3cnn4C(C)C)CC2)cc1	917822304	RRWQYJGAOQKHRO-UHFFFAOYSA-N	407.518	3.682	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)OC)c3)n2)cc1	917906662	GFSUTRKOYUXCFH-UHFFFAOYSA-N	418.496	3.796	10	20	HHCD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919970391	ZHJRAALFXBGFET-UHFFFAOYSA-N	404.514	3.524	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(Cl)cc1	920867542	UPEYGBKBZCCDRR-IRXDYDNUSA-N	401.938	3.532	10	20	HHCD	
COc1ccc(C)cc1-n1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)n1	920886334	KOAXYPQBXZZWAI-UHFFFAOYSA-N	422.554	3.673	10	20	HHCD	
C/C=C(\C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1	1792301231	OMDURKDHYUYZOO-VUGYHEGGSA-N	422.481	3.917	10	20	HHCD	
CC(=O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-n2c(C)ccc2C)cc1	1847718780	ZGYCMBQLYVSEFZ-VXKWHMMOSA-N	421.541	3.525	10	20	HHCD	
COc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1OC	57512299	YRRTVUBMCYLVGX-GWECRGSCSA-N	424.541	3.991	10	20	HHCD	
Cc1noc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc2)n1	105725170	YYZJTBPAWOHQAU-QFIPXVFZSA-N	420.513	3.932	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1	109903052	ROFFUJFDAQJCAD-UHFFFAOYSA-N	417.918	3.788	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc(OC(F)F)cc3)CC2)cc1	237272020	UQPVZXIKPZCIPH-UHFFFAOYSA-N	405.489	3.599	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccccc2N2CCOCC2)cc1F	303286958	AHKMUOLBWHAEQN-UHFFFAOYSA-N	414.525	3.508	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CCOCC4)nc3C)ccc21	431927537	YRRVBOHJLBFJES-UHFFFAOYSA-N	422.529	3.697	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)nn1-c1cccc(F)c1	537585542	CPFNCDVFPMFBKJ-UHFFFAOYSA-N	420.469	3.788	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3nncn3Cc3ccccc3)ccc21	605118193	HSSKTUIWLZKGCD-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(Br)c2c(c1)OCO2	726066517	DOVAWRSYUIIQPE-UHFFFAOYSA-N	419.319	3.646	10	20	HHCD	
O=C(NCCc1cccc(O)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	727240182	YQNIOQGYKSXWAZ-UHFFFAOYSA-N	405.445	3.504	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1Cl	728068055	KMGVCIBVSXIHGH-UHFFFAOYSA-N	401.938	3.954	10	20	HHCD	
Cc1nn(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c(C)c1Cl	728836906	IUIYRJRJQVARSR-UHFFFAOYSA-N	402.848	3.810	10	20	HHCD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728837425	SWCYGFHAENRNAB-FQEVSTJZSA-N	419.447	3.621	10	20	HHCD	
COc1ccc(-n2cnn(CN(Cc3ccc(N(C)C)cc3)C(C)C)c2=S)cn1	728898329	GCBYXFGUGGZQLF-UHFFFAOYSA-N	412.563	3.741	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3C(=O)c3ccco3)cc2)CC1	731016169	FGSUXFUKNPUWBK-OAQYLSRUSA-N	409.530	3.827	10	20	HHCD	
CCOc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1C	731131721	PUUCWIURWSURBW-UHFFFAOYSA-N	409.530	3.885	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C2CC2)cc1	731165152	QRUWKWNVXQXPQU-NRFANRHFSA-N	405.542	3.796	10	20	HHCD	
CC(C)n1cc([C@@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1	732822575	FZCFWDAOISNFEV-IXDOHACOSA-N	417.529	3.777	10	20	HHCD	
Cc1cc(C(=O)NCC2CCN(CCN(C)C)CC2)c(C)n1-c1ccc(Cl)cc1	733976015	DZUSFCKRZCWBNG-UHFFFAOYSA-N	416.997	3.751	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(N2CCOCC2)cc1	734166776	DWOLWPQFROMSRH-YKSBVNFPSA-N	422.573	3.548	10	20	HHCD	
COc1ccc2c(C)c(CCC(=O)NCc3ccc(N(C)C)cc3C)c(=O)oc2c1	734406558	VETKJESGGHWXRI-UHFFFAOYSA-N	408.498	3.733	10	20	HHCD	
CN1C(=O)C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1c1cccc(Cl)c1	734421903	HGJWDDSLRQDJGN-IFMALSPDSA-N	411.933	3.776	10	20	HHCD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCc2cccc(OC)c2O)c(C)c1	737285321	AWZAZRLJYCCYLJ-AWEZNQCLSA-N	402.516	3.855	10	20	HHCD	
C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)cc(Cl)c2O1	737382106	PTRLKDTXADBLOV-SNVBAGLBSA-N	407.904	3.983	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccccc1OCCn1ccnc1	740454159	OTIDGKDXLATENC-UHFFFAOYSA-N	405.502	3.884	10	20	HHCD	
CC[S@@](=O)c1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800221	HCINRZUMSFJTOJ-MHTXLSKPSA-N	422.497	3.814	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)cc2)CC1	743247287	GDULFDBBQHCOHZ-UHFFFAOYSA-N	408.502	3.600	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccco2)CC1	745416796	CWYBREOKYADKEC-UHFFFAOYSA-N	412.534	3.570	10	20	HHCD	
CNC(=O)c1cccc(CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)c1	745837980	QDVMBWLBAJKPJN-UHFFFAOYSA-N	409.530	3.839	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(c3nccn3C)CC2)cc1	746224507	LWIKULQKSMLZAW-UHFFFAOYSA-N	417.517	3.864	10	20	HHCD	
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc2c(c1)CCCN2C	746814312	MPKBBYLYGKDKCV-ZDUSSCGKSA-N	403.866	3.714	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCN1C1CCCC1	749258362	KULOPBBQHOEPEQ-QUCCMNQESA-N	405.970	3.533	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1C	749299254	VDCZRAAMXLMGFL-HSZRJFAPSA-N	419.573	3.825	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)n2)ccc1F	749750358	KONHEKYEVXLWEI-UHFFFAOYSA-N	422.507	3.606	10	20	HHCD	
COc1cccc2c1OCC(C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)=C2	750876469	ZUDHDTBUQRLKAG-JOCHJYFZSA-N	422.525	3.745	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c(OC)c1	752125107	OHLZLHAZZSGYIH-UHFFFAOYSA-N	406.486	3.842	10	20	HHCD	
C/C(=C\C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1OC(F)F	753292778	BHBZBHXEVRSYCU-JQIJEIRASA-N	402.441	3.844	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@@H](OC)c3cccc(Cl)c3)CC2)cc1F	753941702	WUEVRZSJYUOTEB-HXUWFJFHSA-N	421.900	3.707	10	20	HHCD	
CC(C)NS(=O)(=O)c1cccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)c1	756447668	XLEBHXGKUHSWGA-MRXNPFEDSA-N	402.560	3.809	10	20	HHCD	
C[C@@H](NCCCN1CCN(c2ccncc2)CC1)c1ccc(Cl)c(Cl)c1O	756511586	PMRFSKLVGSDBBW-OAHLLOKOSA-N	409.361	3.957	10	20	HHCD	
CCOCc1cc(CNC[C@@H]2CSCCN2Cc2ccccc2)ccc1OC	758477925	ADIVZWOEIYHFDM-JOCHJYFZSA-N	400.588	3.939	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C(/C)c3ccc(F)cc3)CC2)cc(OC)c1OC	759241313	WEFBDMFSXAEVLV-SSZFMOIBSA-N	414.477	3.604	10	20	HHCD	
CN(C)c1ccc(N2CCC(NC(=O)NCCCSc3nccs3)CC2)cc1	759586325	ZBTVRAPQLFPLDI-UHFFFAOYSA-N	419.620	3.660	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc([C@H]2CCOC2)c1	761380602	DSLKOEZZLUCIPI-QFIPXVFZSA-N	405.542	3.975	10	20	HHCD	
C[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Oc1cccc(Cl)c1	761567676	AWCCOVHEQHLJIV-GFCCVEGCSA-N	409.269	3.931	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCOc2cc(F)ccc21	762292856	RMZZRYWWQHENIA-INIZCTEOSA-N	404.825	3.863	10	20	HHCD	
Cc1cc(CC(=O)NCCCCN2CCC[C@@H]2CO)c(C)n1-c1ccc(Cl)cc1	763071754	RBXYCRMECOBLMA-JOCHJYFZSA-N	417.981	3.643	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)c(I)c1	763205265	NLQYOZVPZMXXFU-UHFFFAOYSA-N	412.246	3.769	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(-n2cccn2)cc1	764791652	PBPSURCAELQDHU-ZDUSSCGKSA-N	415.291	3.901	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)cnc1N(C)C	764898702	OOXSTSNSSGMCNL-UHFFFAOYSA-N	405.340	3.638	10	20	HHCD	
COc1ccccc1N1CC[C@H](CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	765545590	LMVCBZMYVUYXHJ-RBUKOAKNSA-N	413.537	3.848	10	20	HHCD	
CCOCCC1(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCC1	765677716	GVQGANKDYAKVPJ-QZTJIDSGSA-N	421.557	3.835	10	20	HHCD	
CCOc1cccc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c1O	769191652	GDPGDGCGARDBDJ-UHFFFAOYSA-N	419.319	3.511	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H](CO)Cc2ccccc2C(F)(F)F)c1O	769421234	WDEVGWBITLKGRR-NSHDSACASA-N	418.799	3.913	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccoc1Br	770632000	UMZHFUQNIKTGLK-CYBMUJFWSA-N	413.699	3.796	10	20	HHCD	
CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NCc1ccc(N2CCCC2)cc1	772221529	LTHAYDWUIXNJBP-LJQANCHMSA-N	419.591	3.646	10	20	HHCD	
C[C@@H](NC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1	772996411	DQFJXPKDYRIYCT-MRXNPFEDSA-N	412.511	3.811	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(N3CCc4ccccc4C3)nc2)c1O	775049828	FANIQMMSBXMTQN-UHFFFAOYSA-N	420.469	3.557	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c1	775371922	VIXGDGJJSVARTC-INIZCTEOSA-N	408.498	3.872	10	20	HHCD	
COc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1N1CCOC1=O	777106104	FFCIHJQZXLWEBN-HNNXBMFYSA-N	415.465	3.801	10	20	HHCD	
C[C@](O)(CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	780953549	GOUFKIUVXQFUKN-JTSKRJEESA-N	404.457	3.671	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnn(C2CCCCC2)c1C	781358135	ZOBMXRADQRJVEG-UHFFFAOYSA-N	419.909	3.871	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O	785921011	CHNCZJLGCUSDRA-JOCHJYFZSA-N	414.594	3.996	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)C)c1ccc(N2CCOCC2)cc1	788236818	YAFBXGRDCSTFMW-XMSQKQJNSA-N	423.557	3.604	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc1	788955073	PLPSXRHLGATNBS-UHFFFAOYSA-N	406.530	3.564	10	20	HHCD	
COc1ccc(CN(CCc2ccccn2)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1	793349899	ZOFNULYFBHSGJP-UHFFFAOYSA-N	423.469	3.958	10	20	HHCD	
COc1ccc(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c(O)c1	794379525	OUVDCEFBSXWOGJ-IBGZPJMESA-N	419.319	3.617	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12	801969795	NBRTZPMPJUVKOD-UHFFFAOYSA-N	421.423	3.966	10	20	HHCD	
CO[C@@H]1CCN2C(=O)N(Cc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)C(=O)[C@@H]2C1	804188343	MFQBGVBRGJHZGK-OGWOLHLISA-N	405.926	3.518	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C)C(C3CC3)C3CC3)cc2Cl)C1	807954146	KDKZCPGXHPMMDL-OAHLLOKOSA-N	417.981	3.840	10	20	HHCD	
Cn1ccnc1[C@H](O)C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1	809579334	YUFKHYCWVYUEDA-RUZDIDTESA-N	416.569	3.928	10	20	HHCD	
CC[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(C(F)(F)F)cc1O	810235196	NAFGOJYFFXWZPR-MRXNPFEDSA-N	409.408	3.579	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@]2(CCc3ccccc3O2)C1)c1ccc(N2CCOCC2)cc1	811865874	CRCPIKDKJZOHRZ-KBMIEXCESA-N	421.541	3.764	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1OCCc2sccc21	814319773	QMETXTGIWZRACE-MGPUTAFESA-N	402.585	3.868	10	20	HHCD	
COC(=O)CCC[C@@H]1CCC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1	815121253	YJDPTFJRQHUKOJ-SIKLNZKXSA-N	402.579	3.887	10	20	HHCD	
CNc1nc(C)cc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)n1	857449617	GZJRGLSKWUKNCK-UHFFFAOYSA-N	405.502	3.748	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncoc1C(F)(F)F	857456175	KYDNPPFRKINAID-SNVBAGLBSA-N	405.323	3.694	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc2c(OC(F)F)cccc2[nH]1	918138078	HOFMJXPAJZYOLO-UHFFFAOYSA-N	419.403	3.675	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1OCC(F)(F)F	918303750	IRUZQBAOFWEHNV-UHFFFAOYSA-N	423.435	3.681	10	20	HHCD	
Cc1cc(C(N)=O)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	919652572	MNLOGLXEWXCREO-UHFFFAOYSA-N	406.486	3.987	10	20	HHCD	
COc1ccc(CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1OC(F)F	1323286380	VMEHMQDCKBGOPB-UHFFFAOYSA-N	423.479	3.820	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1	1337786031	TYUNUQGWFPGTCI-UIFIKXQLSA-N	407.558	3.736	10	20	HHCD	
Cc1cccc(-c2nn(CN(C)Cc3ccc(N4CCOCC4)cc3)c(=S)n2C)c1	16878616	UBMZKLGOILUKKC-UHFFFAOYSA-N	423.586	3.853	10	20	HHCD	
CCc1ccc(CCC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1	24088856	VNIUAIQEEATXGK-UHFFFAOYSA-N	409.574	3.519	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c1C	71923808	CWVWZLJTKQHFGA-QGZVFWFLSA-N	411.531	3.543	10	20	HHCD	
Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	109915395	GUMGVCXPQIUBDP-LBPRGKRZSA-N	411.424	3.567	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)n(C)c2ccccc12	471198483	GATZKSUTOSAWIO-IYBDPMFKSA-N	407.518	3.817	10	20	HHCD	
C[C@@H](NC(=O)NC1CCN(CC2CCCC2)CC1)c1ccc(N2CCOCC2)cc1	726247412	SUWRYOQBBNKSBR-LJQANCHMSA-N	414.594	3.538	10	20	HHCD	
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726564432	JPAKROQTYOTUHW-VLIAUNLRSA-N	418.440	3.602	10	20	HHCD	
O=C(NCc1ccc2c(c1)CCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726616235	KWXOQDICJABUOL-UHFFFAOYSA-N	417.456	3.691	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(OC)c(OC(F)F)c2)c1	728951143	CTPWSPTWRADNER-GFCCVEGCSA-N	410.417	3.614	10	20	HHCD	
O=C(NCCc1ccc(F)cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	732233522	UZIHJCIAEFTQFK-IBGZPJMESA-N	405.901	3.691	10	20	HHCD	
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCCSc1nccs1	733974055	DUUQWUFKFOYJTK-QGZVFWFLSA-N	405.589	3.895	10	20	HHCD	
O=C(NCCc1nc(-c2cccc(Cl)c2)no1)NCc1ccc(N2CC=CC2)cc1	740918192	ZBIJWIZDMXKXRK-UHFFFAOYSA-N	423.904	3.808	10	20	HHCD	
C[C@H](Oc1cccc(F)c1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800413	QZLZGLNGUQKAGK-GOEBONIOSA-N	408.420	3.980	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCc2ccccc21	743871056	OCNWZLRNSMAJKV-CQSZACIVSA-N	403.320	3.954	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N(C)C)Cc2ccccc2C1	745842849	PRIQNJXWJCTLPG-UHFFFAOYSA-N	408.590	3.772	10	20	HHCD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746616788	OWWBJPKABUYUNK-NSHDSACASA-N	418.366	3.737	10	20	HHCD	
C[C@H](CCc1ccco1)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751058477	ANVAMCMNMVXQFY-CYBMUJFWSA-N	420.512	3.599	10	20	HHCD	
CCOCCOc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1	751356414	RDPKPYHXUWGQQG-UHFFFAOYSA-N	419.543	3.941	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)CS(=O)(=O)c1ccccc1	752704396	NCKUNJCBLZVBFC-GOSISDBHSA-N	404.532	3.566	10	20	HHCD	
CCn1c(-c2ccco2)nn(CN2CCN(c3ccc(OC)c(F)c3)CC2)c1=S	754012964	KXERWBUBCRLMOS-UHFFFAOYSA-N	417.510	3.621	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1	755868051	MLOGCHOQAAVIOD-IBGZPJMESA-N	420.513	3.603	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)cc1F	756065693	IYOIPYJIIDQQMO-WQIZZMQYSA-N	405.539	3.970	10	20	HHCD	
C[C@H](NCCOC[C@H]1CCCO1)c1cc(Br)cc(Br)c1O	756582363	HWEDMDIJVORBQF-CMPLNLGQSA-N	423.145	3.763	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cc4c(cc3OC)OCO4)SC2=S)cc1F	758818240	BUNDTJSBIZTPNK-UBKPWBPPSA-N	419.455	3.977	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)CC2)cc(OC)c1OC	759219907	GFBBGKSHEAXJLK-YLJYHZDGSA-N	402.535	3.599	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H](C[C@H](C)O)c3ccccc3)CC2)cc1	759572152	DIJCDCMSICHMHW-ICSRJNTNSA-N	411.546	3.518	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1nc(O)c2ccc(C(F)(F)F)cc2n1	759597454	SEWZWXKTSPTMPW-KXFIGUGUSA-N	406.316	3.522	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)cc(OC)c1OC	760086383	JMLZETDYMXGWQY-UHFFFAOYSA-N	415.534	3.674	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1csc(-c2ccco2)n1	761787169	XJABAJMNVYYVTB-UHFFFAOYSA-N	403.847	3.727	10	20	HHCD	
O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	765212092	XQOHCRRYIJKLAG-HKUYNNGSSA-N	410.297	3.940	10	20	HHCD	
COc1ccc(NC(=O)CCN(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl	766838503	WRZAVFXLXQBULG-UHFFFAOYSA-N	417.937	3.646	10	20	HHCD	
O=S(=O)(NC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1)c1cccs1	768228131	IFFVISRIFRXNDM-UHFFFAOYSA-N	419.616	3.681	10	20	HHCD	
CSc1cnn(-c2ccccc2)c1NC(=O)NCc1ccc(N2CCOCC2)cc1	768993029	KQFBKVMAXVZDDY-UHFFFAOYSA-N	423.542	3.753	10	20	HHCD	
COc1ccc(N2CCCN(Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CC2)cc1	768997368	DOIYCUFQRVONFX-UHFFFAOYSA-N	420.513	3.569	10	20	HHCD	
Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1	772574870	FWEAGGAMTPGGHR-GOSISDBHSA-N	405.502	3.900	10	20	HHCD	
Cc1ccccc1NC(=O)Cc1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)cs1	772773756	DQQQTBOCSMWQDD-VQHVLOKHSA-N	424.478	3.801	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(CC(=O)NC2CCCC2)CC1)c1ccc(N(C)C)cc1	773619546	MRKOPNDQMBEPEN-QGZVFWFLSA-N	400.567	3.684	10	20	HHCD	
C[C@@H](NCC(=O)Nc1nc2ccc(F)cc2s1)c1ccc(N2CCOCC2)cc1	775257700	LNUYOYOILJQPDT-CQSZACIVSA-N	414.506	3.561	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)c1	775373474	SDEPGWCZBDPZTD-OLZOCXBDSA-N	412.408	3.827	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3ccc(-c4ccncc4)cc3)nc12	775526147	GQLTZZWYQHAJAH-OAHLLOKOSA-N	417.469	3.524	10	20	HHCD	
CCC[C@H](NCc1cc(O)n2ncc(C(=O)OCC)c2n1)c1ccc(F)cc1F	775541598	BNARIRQFPVTSAU-KRWDZBQOSA-N	404.417	3.521	10	20	HHCD	
CCN(Cc1cn(Cc2ccccc2)nn1)Cc1cc(Br)ccc1O	775610015	JGTSSBKAXGYCOU-UHFFFAOYSA-N	401.308	3.817	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775637673	XFMCLJNDNXGQSX-HNNXBMFYSA-N	404.536	3.787	10	20	HHCD	
CS(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1C(F)F	776035481	CFSSTNUXEITRKB-UHFFFAOYSA-N	423.485	3.950	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CC(=O)O)C2CC2)c(C)n1-c1ccccc1Br	776630550	ZCRBROLSSUNQGQ-MRXNPFEDSA-N	405.292	3.840	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC(C)(NC(=O)OC(C)(C)C)CC3)ccc21	780358548	BOSUXLDXGZJBLO-UHFFFAOYSA-N	416.566	3.658	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)CC2)cc1	780766524	RYJZVBLQCKPPNB-JOCHJYFZSA-N	421.501	3.685	10	20	HHCD	
O=C1NCCN(Cc2c(O)ccc3ccncc23)[C@H]1c1ccccc1C(F)(F)F	781582490	UZOHKSUUBLMFSN-IBGZPJMESA-N	401.388	3.632	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(F)c(F)c2)cc1	782423767	LKUYVFVWLNALKO-UHFFFAOYSA-N	413.424	3.791	10	20	HHCD	
CC(C)OC(=O)NCc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1	782570264	IGFOCMAAMLWQDA-UHFFFAOYSA-N	412.490	3.818	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cn(-c2ccc(F)c(Cl)c2)nn1	782900937	XQSSDAKFVPNLLI-UHFFFAOYSA-N	415.900	3.528	10	20	HHCD	
Cc1nc2cc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)ccc2n1C	784105069	BLYZJBLXHPZTGL-UHFFFAOYSA-N	405.502	3.626	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1F	784156197	NTIQJGNASGJWOA-UHFFFAOYSA-N	401.438	3.828	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	785609223	AORAXPKUHMWVJS-TUVASFSCSA-N	422.241	3.859	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc2ccccc2o1	786143664	BHYCYBNVDPWSGX-LPHOPBHVSA-N	420.513	3.695	10	20	HHCD	
Cc1cc(C)c([C@@H](C)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)c(O)c1	788645452	XPNJOPYTRMJGQO-UYAOXDASSA-N	412.530	3.534	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2cc(Cl)ccc2F)cc1	788973875	AAFGUMBRTNMFTP-UHFFFAOYSA-N	405.901	3.600	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=S)NCCc3ccc(F)cc3)cc2F)C[C@@H](C)O1	789193941	LPIGGDRZERVQNA-IYBDPMFKSA-N	419.541	3.785	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1=O	789594970	OOBHYPTUPLUVEU-JOCHJYFZSA-N	422.529	3.818	10	20	HHCD	
C[C@@H](CO)NC(=O)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1	795798770	RXFXVAINFUYYGS-IBGZPJMESA-N	415.537	3.972	10	20	HHCD	
COc1ccc(C[C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1OC	796697635	YFQIBQDSGYSXPP-INIZCTEOSA-N	402.510	3.709	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cs1	796869299	QPWHRGRGOYFGMX-UHFFFAOYSA-N	421.522	3.958	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCC3C[C@@H](C)O[C@H](C)C3)cc2F)C[C@H](C)O1	801745850	XGPBKMDXFIEACD-BDXSIMOUSA-N	421.557	3.832	10	20	HHCD	
CC(C)CCN(C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1	803301725	XDAHCCYAAQLVKC-LJQANCHMSA-N	415.578	3.518	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCc3sccc32)cc1F	804382078	WZLIZQZXHWVQHP-QGZVFWFLSA-N	403.523	3.543	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H](CN1CCOCC1)c1ccccc1	804897230	INXMWFANZPHVPW-GOSISDBHSA-N	424.328	3.572	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1cc(F)c(N2CCOCC2)cc1F	806742438	JNSIYQYQIXGZRD-UHFFFAOYSA-N	416.472	3.723	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@@H](c3ccccc3C)N(C)C)CC2)cc1	807407122	KAXFUOVNNBYZOP-YKSBVNFPSA-N	424.589	3.917	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	807652220	OOQPNLGZZQVWPJ-GRDNDAEWSA-N	423.351	3.588	10	20	HHCD	
CCc1cc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(O)c(C(C)(C)C)c1	808225083	KHMFXRGNOWLHAY-QGZVFWFLSA-N	408.608	3.546	10	20	HHCD	
COc1ccccc1O[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	809711519	YITDZEUMPKXDFE-LJQANCHMSA-N	400.494	3.714	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1	809819860	ZQVJPTRCXILIIJ-MRVPVSSYSA-N	421.258	3.655	10	20	HHCD	
CON(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	813042588	MQZOEDPANRQJDA-UHFFFAOYSA-N	421.900	3.713	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H](c1nc[nH]n1)c1cccs1	815560316	DQDFXKILTSBECH-QGZVFWFLSA-N	423.464	3.601	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C1(Cc2cccc(F)c2)CCOCC1	816496400	IVTQNEJLQZUTGP-UHFFFAOYSA-N	422.294	3.950	10	20	HHCD	
Cc1cc(C)c(C)c(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C	819421747	MMZQOGJEWYAGFY-HXUWFJFHSA-N	403.544	3.996	10	20	HHCD	
Cc1cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)n1-c1ccccn1	914902984	BSMFVLPQOFJDOZ-UHFFFAOYSA-N	419.397	3.804	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2cccc3cnccc23)c(C)n1-c1ccccc1	915749422	VWPPETJWYFIUNM-UHFFFAOYSA-N	412.493	3.940	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(C2CCC(C)CC2)C2CC2)c1	917437862	MUBNLHLMVHZBAT-UHFFFAOYSA-N	400.563	3.970	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCOc3ccccc3Br)CC2)cc1	917547434	QKQNNYPSNYXUCO-UHFFFAOYSA-N	419.319	3.575	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c2cccnc12	917912801	XNUCHLYCKIDUMD-UHFFFAOYSA-N	413.568	3.575	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C(=O)N2CCC(C)CC2)cc1	918289450	MIOSJKZSEOYGGM-UHFFFAOYSA-N	409.530	3.553	10	20	HHCD	
C[C@H](NC(=O)NCCc1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1	1318196984	FEYCZFCUHYFYLS-SFHVURJKSA-N	420.513	3.781	10	20	HHCD	
COc1cc(OC)cc([C@@H](NCc2ccc(N3CCCC3)cc2)c2nccn2C)c1	1321650422	REYHVGHYPXSQRS-HSZRJFAPSA-N	406.530	3.917	10	20	HHCD	
CCc1oc2ccccc2c1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1341156323	HDJHOKPUUSBCFG-QGZVFWFLSA-N	405.498	3.627	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3nc(-c4ccco4)oc3=O)c2C)cc1	18395312	VHIGGLKBFQETJS-UHFFFAOYSA-N	407.426	3.785	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccco4)C3=O)c2C)c1	44030684	RHZDQQRGUNJHOV-QHCPKHFHSA-N	405.454	3.645	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc3nncn3c2)c(C)n1-c1ccc2c(c1)CCC2	110234115	VFISNOPHMCFTHJ-UHFFFAOYSA-N	414.465	3.665	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)c1ccc(N2CCOCC2)cc1	141688672	FVFIQRVZODBWSK-KRWDZBQOSA-N	409.530	3.637	10	20	HHCD	
CCN1CCN([C@@H](C)CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1	302999356	ZAULRDDENUFCJN-FQEVSTJZSA-N	410.606	3.973	10	20	HHCD	
O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCCCCC1	726148163	PLWTUYOYKIQDEP-UHFFFAOYSA-N	411.525	3.529	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cnc(C(C)(C)C)nc3)cc2F)C[C@@H](C)O1	726845721	PPULWFLCVRRXQU-GASCZTMLSA-N	415.513	3.849	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(OC(F)F)c2)cc1	734220908	CFCHRBJSKXAYKH-UHFFFAOYSA-N	405.445	3.698	10	20	HHCD	
CN(C)[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1c(F)cccc1F	734659225	ZVNGMGJAQAWXBD-FQEVSTJZSA-N	402.489	3.667	10	20	HHCD	
COC(=O)C[C@@H]1CSCCN1Cc1c(O)ccc2cc(Br)ccc12	740856379	QRBOGKBXKUZEPI-CQSZACIVSA-N	410.333	3.788	10	20	HHCD	
CC[C@@H]1c2ccsc2CCN1C(=O)CN(C)c1cc(OC)c(OC)c(OC)c1	741795777	PZDFVFSNMBPWSJ-MRXNPFEDSA-N	404.532	3.746	10	20	HHCD	
COc1ccc(CCNC(=O)NCc2c(O)ccc3c2CCCC3)cc1OC(F)F	743576832	KIEQYSQXELJNEA-UHFFFAOYSA-N	420.456	3.923	10	20	HHCD	
O=C(NC1CCCCC1)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	744280830	XNAABYDIOLCBPS-UHFFFAOYSA-N	412.578	3.657	10	20	HHCD	
CC(C)OC(=O)[C@@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	745905014	GMKNZXXAMWDSCL-KRWDZBQOSA-N	401.507	3.645	10	20	HHCD	
Cc1cc(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1	746136954	AYQVRPSUZJKQPV-UHFFFAOYSA-N	417.368	3.648	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1	746159561	XRHJNBWWUXTWBL-UHFFFAOYSA-N	415.578	3.599	10	20	HHCD	
CCCCN(C)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	749124484	NTDXZYONOHDJJW-OAQYLSRUSA-N	422.573	3.555	10	20	HHCD	
Oc1ccccc1CN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCCO1	749299684	WZDVKDFPPDBYTA-VQTJNVASSA-N	409.448	3.996	10	20	HHCD	
COc1ccccc1N1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)C1	749865585	VXVCUXIEVJSWAR-IBGZPJMESA-N	404.514	3.754	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1=NN(c2ccccc2)C(=O)CC1	754535593	MDRYXKLZZULDNR-UHFFFAOYSA-N	423.428	3.584	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C)c3ccc(C)c(C)c3O)CC2)cc1	756394095	VDNFWGJTXFHUGB-GOSISDBHSA-N	402.560	3.821	10	20	HHCD	
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](C)c1ccc(Br)cc1O	756597733	OPDSHFISABOTRW-SGTLLEGYSA-N	416.319	3.644	10	20	HHCD	
C[C@@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1cc(F)cc(F)c1O	756644190	ZIBUUFKUUTXBTG-GFCCVEGCSA-N	403.454	3.908	10	20	HHCD	
O=C(COC(=O)C[C@@H]1C=CS(=O)(=O)C1)Nc1ccc(N=Nc2ccccc2)cc1	756825844	ZGGUUHQTBNQOBC-HNNXBMFYSA-N	413.455	3.532	10	20	HHCD	
COc1ccc(N(C)CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl	757857345	RMZISYGWDYDTGO-UHFFFAOYSA-N	410.923	3.607	10	20	HHCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	758558043	MZBHFYMCJLNQGI-ZDUSSCGKSA-N	413.426	3.713	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1C[C@@H](O)c1ccco1	758697745	WMPYQCIHKYAUKZ-WOJBJXKFSA-N	415.559	3.631	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3ccc(C)c(F)c3)CC2)cc(OC)c1OC	758915232	FDZWBVVORFIPBV-UHFFFAOYSA-N	419.522	3.679	10	20	HHCD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	759020588	XMXHHLPYKIZVQG-HNNXBMFYSA-N	418.896	3.841	10	20	HHCD	
Cc1ccccc1C1(CNC(=O)NCCCSc2nccs2)CCOCC1	759567846	BJQVCMQORDFSSI-UHFFFAOYSA-N	405.589	3.981	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1O	761214857	FVOTWCWRYSQNAJ-ZDUSSCGKSA-N	419.827	3.894	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCNC(=O)C2)c(C)n1-c1ccc(Cl)c(Cl)c1	761217245	XEKGQLUFMKXFOP-CYBMUJFWSA-N	423.296	3.653	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2N(C)C2CCCC2)cc1F	762442592	HALINAJJBFIMJQ-UHFFFAOYSA-N	412.509	3.525	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(F)cc1Br	765751296	DXUTWERHOMENDL-UHFFFAOYSA-N	403.045	3.986	10	20	HHCD	
CCOc1ccc(O)c(CNCc2ccc(Br)cc2N2CCOCC2)c1	769928374	NVDLXPZUVINNPO-UHFFFAOYSA-N	421.335	3.680	10	20	HHCD	
Cc1ocnc1-c1noc(CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1	771723307	GUEPZQNHICCKQY-WQLSENKSSA-N	418.525	3.929	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2cccnc2)c(C)n1-c1ccccc1Br	772735369	ZZRQVCVDCXTQCX-IBGZPJMESA-N	414.303	3.715	10	20	HHCD	
COCC[C@@]1(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CCOC1	773335987	SVRZTDZMJNYOJV-HXUWFJFHSA-N	421.335	3.782	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1	773749110	OWBATYXDHXNANC-AWEZNQCLSA-N	400.475	3.735	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCCOc1ccccc1	773757720	XPPUQGPZTRZDQS-KRWDZBQOSA-N	407.466	3.917	10	20	HHCD	
CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O	775364156	OVDIELWOKULASQ-OLZOCXBDSA-N	406.504	3.625	10	20	HHCD	
CC1(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCCCC1	776335497	WFVQABJSKGCKQJ-LJQANCHMSA-N	400.567	3.548	10	20	HHCD	
CC(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(F)c1	777418124	GDDWDBBKMKXICS-KRWDZBQOSA-N	404.869	3.782	10	20	HHCD	
COCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1	778660242	DDUKKFQVAAGMHD-UHFFFAOYSA-N	418.496	3.529	10	20	HHCD	
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)cc1	779985728	CIUVNLQBMGAEPN-INIZCTEOSA-N	421.463	3.972	10	20	HHCD	
O=S(=O)(NC1CCCC1)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	781920678	JMAOIWCJFKCBDW-HNNXBMFYSA-N	407.363	3.525	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	782647681	FBOCDZUZWRCHOU-MSOLQXFVSA-N	404.555	3.696	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1	783316827	NUJOJIIWWDGFEZ-UHFFFAOYSA-N	408.424	3.542	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccccc2O[C@H]2CCOC2)C2CCCCC2)cc1	784059245	IIRGQUUOBFAHCF-FQEVSTJZSA-N	423.513	3.741	10	20	HHCD	
CCO[C@H]1C[C@](O)(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1(C)C	789621110	MIDWGDHNRRYWQX-CVDCTZTESA-N	424.501	3.723	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(OC(F)F)c(F)c1	790356716	NUQZVENYMNNLEY-UHFFFAOYSA-N	414.449	3.896	10	20	HHCD	
CN(C)c1ccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c(C(F)(F)F)c1	793083109	XQBOSTYOCZRECB-GOSISDBHSA-N	400.466	3.647	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3cc(C(=O)OC)ccc3Cl)cc2F)CC1	795921639	ISJYXPYRBYWNOJ-UHFFFAOYSA-N	419.928	3.697	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCCCCC3CCOCC3)CC2)cc1	798402270	QIDWIGVQNMLOPM-UHFFFAOYSA-N	406.592	3.674	10	20	HHCD	
CCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n[nH]1	800721167	YBCVUQDOHOWMON-ZIAGYGMSSA-N	404.946	3.817	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccc(N(C)C)cc1	805067013	GJDODWFYUPBJQD-LLVKDONJSA-N	406.401	3.830	10	20	HHCD	
O=C(NC[C@@H]1CCc2ccccc21)C(=O)N(Cc1ccccc1O)C1CCCCC1	805962869	XHVSCQMLTFJBNM-IBGZPJMESA-N	406.526	3.900	10	20	HHCD	
O=C(Nc1cc2ccccn2n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806651444	DTFAIOLZGKDTDG-UHFFFAOYSA-N	401.417	3.726	10	20	HHCD	
C[C@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1	806962246	CNYDSOKTUUPYIK-ICSRJNTNSA-N	411.546	3.959	10	20	HHCD	
CCOc1ccc(CN(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)c(O)c1	809765014	MEABZKZQNLFKIV-UHFFFAOYSA-N	413.562	3.908	10	20	HHCD	
CCn1c(COc2cccc(C)c2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812039272	NJXVFSQLFBLONP-UHFFFAOYSA-N	421.545	3.911	10	20	HHCD	
C[C@@H](NCc1cccc(N2CCOCC2)c1)c1cc(Br)c(F)cc1O	815639053	MMMROULGJIRNTQ-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
CCCc1sc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1CC	917832223	OJHBPAKYHUZFJC-GOSISDBHSA-N	413.587	3.895	10	20	HHCD	
COc1ccc(Cl)cc1CN(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918218305	UZBBUDNEYQMQFK-UHFFFAOYSA-N	421.900	3.666	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	1116415828	NDNVYHZZNUVQAD-RCRDTURJSA-N	408.336	3.835	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCNS(=O)(=O)c1ccc(F)cc1Cl	1339983876	WLWVOSFWCOHABU-DOMZBBRYSA-N	412.914	3.610	10	20	HHCD	
COc1ccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC	40945837	VYNKXINTUHSJCT-UHFFFAOYSA-N	421.456	3.536	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	65561138	IVGCXKQJDRETRT-SFHVURJKSA-N	418.541	3.746	10	20	HHCD	
CC(C)Oc1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl	109180874	PFSBHNWMZRGHGI-HNNXBMFYSA-N	403.910	3.850	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1	138269438	OWBHFWCJLXDJNZ-UHFFFAOYSA-N	412.559	3.697	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1	302832181	GKSBDFRSTPSTSA-INIZCTEOSA-N	419.865	3.574	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCc2ccccc2OC2CCCC2)n(C)c2ccccc12	550562995	GBSMEVYBJSLLNW-UHFFFAOYSA-N	419.525	3.741	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCCCCCOC2CCCCC2)n(C)c2ccccc12	575460303	ZEAGYCBBMXAJIP-UHFFFAOYSA-N	413.562	3.739	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3F)n2)c[nH]1	727247942	VYMOOEPJJVSUES-UHFFFAOYSA-N	415.855	3.518	10	20	HHCD	
COc1ccc2c(c1)C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)CO2	728839550	RMCWPILTXBCXJU-QGZVFWFLSA-N	422.447	3.903	10	20	HHCD	
COC(=O)CCc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	729577889	HSRXFHAZEYMSFF-QGZVFWFLSA-N	411.502	3.512	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1F	731403243	HQZHJERIYWXSAN-UHFFFAOYSA-N	404.442	3.588	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCNc3ccccc3)cc2F)C[C@@H](C)O1	731543544	NPIJFZIAZUCXMJ-HDICACEKSA-N	414.525	3.741	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)cc1	732241690	ONYVYPQQLLUQRU-IBGZPJMESA-N	414.937	3.791	10	20	HHCD	
COc1ccc2c(c1)CCCN2C(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1	733126641	CDBYNILWSGHCBW-JCMHNJIXSA-N	413.477	3.841	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1cccnc1	733968910	XVVYKECBYIUBJN-PTNGSMBKSA-N	403.554	3.788	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c1	734174419	GCKXPPSQBIWYDB-LBPRGKRZSA-N	416.865	3.707	10	20	HHCD	
COc1ccc([C@H](CNC(=O)NCc2ccc(N(C)C)cc2C)N2CCCC2)cc1	734652590	NRSMATNEXOQBMB-QHCPKHFHSA-N	410.562	3.706	10	20	HHCD	
C[C@H](c1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1)N1CCOCC1	735574925	QYYZWAZGHUFXOO-MRXNPFEDSA-N	400.498	3.607	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)Cc3ccccc3F)cc2F)CC1	737556144	ZRJTYCCHYFLQPE-QGZVFWFLSA-N	401.501	3.602	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(SC(F)F)cc3)c2)CC1	739767273	XRCGZCRBWGOPKI-UHFFFAOYSA-N	405.470	3.955	10	20	HHCD	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	741674306	XQTVTLIFSXBVAJ-UHFFFAOYSA-N	415.921	3.701	10	20	HHCD	
COc1ccc(OCCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742802048	WEWHWCNFECVUJS-INIZCTEOSA-N	420.456	3.851	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)C2CC2)cc1	743305157	WJBPWWKASMJYMP-DEOSSOPVSA-N	407.558	3.535	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)CCc3cccn3C)cc2F)C[C@H](C)O1	743554576	IFZBURHCTZDVHK-SQNIBIBYSA-N	416.541	3.598	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)Oc2ccc(Br)cc2)c1	743705358	OZQMPVRLBWYSPA-CHWSQXEVSA-N	423.307	3.991	10	20	HHCD	
CCc1cccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743975812	VQWLHUFBNGXSKL-KRWDZBQOSA-N	417.456	3.574	10	20	HHCD	
Cc1cncc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1	745505280	IZWMPOWJXBKMII-UHFFFAOYSA-N	406.438	3.608	10	20	HHCD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	747378650	NWLRRFXBDVEUQD-WAIKUNEKSA-N	418.484	3.928	10	20	HHCD	
CC(=O)c1cc(Br)ccc1OCC(=O)N(C)Cc1ccc(N(C)C)cc1	748527397	HYJONIVBEMDSEW-UHFFFAOYSA-N	419.319	3.755	10	20	HHCD	
Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751929735	BTDLNNZEOSNIOS-MRXNPFEDSA-N	423.538	3.828	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1O	752828459	OIIYYQMUBVLURK-OAHLLOKOSA-N	422.869	3.958	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C	753834616	RODYSHSQXOCGIA-UHFFFAOYSA-N	419.529	3.625	10	20	HHCD	
Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnn1-c1ccccc1	754547720	IOTPJRQCGQXZOK-UHFFFAOYSA-N	408.417	3.603	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCSc3ccccn3)cc2F)C[C@@H](C)O1	755200745	OJRVLUBNYYZAOC-HZPDHXFCSA-N	403.523	3.633	10	20	HHCD	
C[C@H](NCCCN1C(=O)COc2ccccc21)c1cc(Br)cc(F)c1O	756732688	KIQQJNATFSZFMM-LBPRGKRZSA-N	423.282	3.760	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cn(Cc2cccc(F)c2)nn1	759116213	GHBNBSMAINXWKW-UHFFFAOYSA-N	407.493	3.728	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1Br	759241922	UZUWOJGMBHIPAE-SNVBAGLBSA-N	418.244	3.525	10	20	HHCD	
Cc1cc(C(=O)NCCC2(C)OCCO2)c(C)n1-c1cccc(Br)c1	760110942	VQCMPPIIMFNNQX-UHFFFAOYSA-N	407.308	3.740	10	20	HHCD	
Cc1cc(C(=O)N2CCC(S(C)(=O)=O)CC2)c(C)n1-c1ccc(C(C)C)cc1	760949973	MZQXWENZGWWYKS-UHFFFAOYSA-N	402.560	3.867	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCC3CC(OC(C)(C)C)C3)CC2)cc1	763481759	USAVSBZHTIKWFO-UHFFFAOYSA-N	403.567	3.901	10	20	HHCD	
CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1	764450370	PAJSZNMEBFHJIY-KRWDZBQOSA-N	416.543	3.592	10	20	HHCD	
COc1ccc(CC[C@H](C)NC(=O)NCc2cccc(Br)c2O)cc1	764767764	NMWGYJONIPTSDE-ZDUSSCGKSA-N	407.308	3.984	10	20	HHCD	
Cn1c(CNC(=O)NCc2cccc(Br)c2O)nc2cc(Cl)ccc21	764803613	DMILLEMVNCNBBD-UHFFFAOYSA-N	423.698	3.694	10	20	HHCD	
CCc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1S(C)(=O)=O	765859749	NQZACQUTYOFKJG-UHFFFAOYSA-N	413.495	3.794	10	20	HHCD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc2C[C@H]1C	766892881	XIMFJDDXWVBELY-SECBINFHSA-N	415.298	3.797	10	20	HHCD	
CCc1nn(C)c(Cl)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	767616451	NDDMOBASXQKEJS-LBPRGKRZSA-N	412.868	3.636	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(Cl)cc1	768013847	XWKQVUJRSFEVLY-UHFFFAOYSA-N	405.951	3.673	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1	769540716	NCWCZUXHHHVDFR-FQEVSTJZSA-N	412.486	3.552	10	20	HHCD	
COc1c([N+](=O)[O-])ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)c1O	772178808	PLDYVGYNBKYXKA-SFHVURJKSA-N	403.822	3.939	10	20	HHCD	
C[C@@H](NC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	773009674	PUFGHGDFRBGINL-CRAIPNDOSA-N	407.580	3.672	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1	775374538	DBTXUDVMGGNTMS-SJCJKPOMSA-N	410.392	3.756	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](COC)c3ccc(F)c(F)c3)cc2F)CC1	775385602	LZPBLOIHDMDNGA-OAQYLSRUSA-N	407.480	3.723	10	20	HHCD	
C[C@H](NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccc(N(C)C)cc1	775403200	HIOPJHREVMPLML-LBPRGKRZSA-N	421.398	3.982	10	20	HHCD	
COc1cc(O)c(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC	776154260	QUDPENFKRPKSCJ-UHFFFAOYSA-N	408.445	3.769	10	20	HHCD	
Cn1nc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccccc21	776177905	BPOHOXHGFXSNIQ-UHFFFAOYSA-N	404.470	3.826	10	20	HHCD	
C[C@@H](NC(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	777636981	FDTPGJOWZGPGAQ-MRXNPFEDSA-N	402.539	3.680	10	20	HHCD	
Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)CC3	778623544	COEGFMNCBZGENR-LJQANCHMSA-N	418.541	3.670	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)Nc1cnn(-c2ncccn2)c1	779175248	QUYBNHUOJMVIQY-UHFFFAOYSA-N	412.413	3.655	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(N4CCOC4=O)cc3)ccc21	783070066	USDUIMBJAOKSGH-UHFFFAOYSA-N	421.497	3.791	10	20	HHCD	
O=C(CCC(=O)c1cc(Cl)sc1Cl)OCC(=O)c1ccc(O)c(O)c1	784094668	GSZZHTIMFDJIPT-UHFFFAOYSA-N	403.239	3.855	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1OC(C)C	786029031	CITNVLBCUYGOOV-IBGZPJMESA-N	424.545	3.806	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1c(OC)ccc2ccccc12	787020923	VWKPFVLORBRJBX-UHFFFAOYSA-N	406.482	3.609	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1-n1cccn1	788338251	RVCBALSFXIOVCT-UHFFFAOYSA-N	412.877	3.609	10	20	HHCD	
CCOc1cccc(CNCc2noc(-c3cccc(Br)c3)n2)c1O	790946948	VCIGAQCRSCIDJA-UHFFFAOYSA-N	404.264	3.893	10	20	HHCD	
COc1ccc(Oc2cc(CNC(=O)NCc3ccc(OC)cc3O)ccn2)cc1	792823828	IEYYCGZILVHABW-UHFFFAOYSA-N	409.442	3.596	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCC(=O)N2	796774450	FIKCUBGNACOBRE-GOEBONIOSA-N	417.456	3.939	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c(O)c1	797648078	UVPLHBCHPOKNOU-UHFFFAOYSA-N	420.391	3.986	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](CO)Cc2ccncc2Cl)c(C)n1-c1ccc(F)cc1	798256142	KEBFJYPDRBABCM-INIZCTEOSA-N	415.896	3.863	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)S(=O)(=O)c1ccc(F)cc1	798977397	PYDORSSTGFYOKL-OAHLLOKOSA-N	417.458	3.516	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(OC(F)F)nc3)cc2F)C[C@@H](C)O1	801953306	MDBNRQKDPSLWLI-BETUJISGSA-N	424.423	3.757	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1	804542733	NEGQKMLYPBGJGB-ISKFKSNPSA-N	417.553	3.597	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)CC1	808451359	JIIWOWZQBSYXFZ-XUTJKUGGSA-N	417.594	3.944	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C	808966935	ONXIACJYPCVTID-QFIPXVFZSA-N	413.537	3.624	10	20	HHCD	
Cc1ccc([C@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)C(C)C)cc1	809506306	NQFSXIRJXALBOZ-GOSISDBHSA-N	401.488	3.910	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@H]2COC(=O)NC2CCCCC2)c1O	809780469	YOFWGPCTKUMQIW-KRWDZBQOSA-N	421.494	3.722	10	20	HHCD	
CC[C@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)OCCc2ccccc21	811841643	NVASCUOVIDDNFD-JOCHJYFZSA-N	414.889	3.688	10	20	HHCD	
O=S(=O)(Cc1ccc(C(F)F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	815016699	LZJATCYSCWPBLM-GOSISDBHSA-N	411.470	3.841	10	20	HHCD	
COCCn1nnc2c1CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C2	816636654	DFEAVEPSHDIHBS-UHFFFAOYSA-N	400.567	3.783	10	20	HHCD	
Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1S(=O)(=O)C1CCCC1	817472226	IKJFSSHFTWFWNQ-DHZHZOJOSA-N	401.484	3.774	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](CO)Cc1ccncc1Cl	819590151	OJRSXQXXXHAJRG-OAHLLOKOSA-N	403.935	3.785	10	20	HHCD	
Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	863948724	KSPVTJARUCGQFE-JOCHJYFZSA-N	408.502	3.567	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)Cn2cccn2)c(C)n1-c1ccc(Br)cc1	915263594	ATVKTGAOJNISDD-ZDUSSCGKSA-N	401.308	3.872	10	20	HHCD	
Cc1cccc(OCCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	917711106	KUPUGZNJTOYIFB-QZTJIDSGSA-N	400.494	3.833	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1	918214029	TYQSFTNJSWWCGQ-HNNXBMFYSA-N	400.504	3.708	10	20	HHCD	
C[C@H](CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1	920180119	KMMRFJVTISUZRA-LJQANCHMSA-N	405.521	3.836	10	20	HHCD	
C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(Cl)ccc1F	920868948	GJWZYWUSASPGAB-HUUCEWRRSA-N	405.901	3.994	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(CN2CCCC2)c1)c1ccc(N2CCOCC2)cc1	920920771	KGVMULAHDOIHFF-FQEVSTJZSA-N	422.573	3.679	10	20	HHCD	
C[C@@H](NC(=O)NCCc1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1	1318196983	FEYCZFCUHYFYLS-GOSISDBHSA-N	420.513	3.781	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1C1CCCC1	1323149141	HVXYURNSWKMLSV-HZPDHXFCSA-N	414.525	3.989	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](Cc3nccn3C)C2)cc1F	1340574378	VPYPCOVDHPGTEA-SFHVURJKSA-N	401.530	3.570	10	20	HHCD	
COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OCC(C)C	16134562	UWVLTRBTHMYYFV-UHFFFAOYSA-N	412.530	3.839	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC1=S	33739015	DIJHYAQHYOQTLJ-DPFQUQLASA-N	406.485	3.997	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1F	303747025	ASSLGCLKFIXFHF-WMZOPIPTSA-N	407.530	3.982	10	20	HHCD	
Cc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)ccc1-n1nnnc1C(C)C	544318107	HTZKJGFPMJSLIN-UHFFFAOYSA-N	421.505	3.591	10	20	HHCD	
O=C1CCc2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc2N1	726565148	CRPQSTZWJQPZBV-UHFFFAOYSA-N	415.440	3.572	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](COCC(C)C)c3ccco3)CC2)cc1	726617132	YGHHVZDRSOVCHQ-OAQYLSRUSA-N	415.534	3.970	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2)cs1	727241784	GDPJPAYSAJPBNV-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731108553	ISODFTXFOBMYND-UHFFFAOYSA-N	411.502	3.796	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1F	731364194	SYTRTJLUQURTTA-UHFFFAOYSA-N	415.509	3.957	10	20	HHCD	
O=C(NCCOc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccccc1O	731761593	TVYVTWGVHBGZGH-UHFFFAOYSA-N	411.414	3.684	10	20	HHCD	
Cc1cc(CC(=O)NCC2(N(C)C)CCOCC2)c(C)n1-c1ccc(Cl)cc1	733809204	BPZLEZPQLJNOOS-UHFFFAOYSA-N	403.954	3.517	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cc(Br)c2c(c1)OCCO2	733975183	ZAOGSPYXCCYALD-UHFFFAOYSA-N	415.334	3.589	10	20	HHCD	
COc1ccc(N(CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)Cc2ccco2)cc1F	739925848	CELXGAUCFABAQA-QFIPXVFZSA-N	424.472	3.750	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCCN(Cc2cccs2)C1	740911300	HNEWPYIQJSZNRR-HXUWFJFHSA-N	410.587	3.836	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cs1	743045493	MOOKEPFOMREFNJ-UHFFFAOYSA-N	416.452	3.737	10	20	HHCD	
CN(c1ccc(CNC(=O)Nc2cccc(OCC(N)=O)c2)cc1)C1CCCCC1	743294184	CZVAFCRDVRDBEN-UHFFFAOYSA-N	410.518	3.641	10	20	HHCD	
C[C@@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)O1	743312369	PIGQTEBIEVNMHV-RHSMWYFYSA-N	400.441	3.506	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc2oc(C3CC3)nc2c1	743955035	GABDBGLPIXVGOJ-UHFFFAOYSA-N	405.454	3.545	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)cc1F	747374313	XYRDRTMXJYFPFF-UHFFFAOYSA-N	421.538	3.581	10	20	HHCD	
Cc1c(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cccc1[N+](=O)[O-]	747806500	OANAIIJVGWUWSP-GJZGRUSLSA-N	415.465	3.515	10	20	HHCD	
Cc1c(NC(=O)C(=O)N(C)Cc2ccccc2O)cccc1C(=O)Nc1ccccc1	748469727	JXJCCGAKMQURGH-UHFFFAOYSA-N	417.465	3.550	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(N(C)C)n1	750423696	JYDCQXRXBAJQAR-IYBDPMFKSA-N	415.513	3.530	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C2	750874312	ISHJQLVUHNEQRR-NZQKXSOJSA-N	424.541	3.520	10	20	HHCD	
CSc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c2ccccn12	751404519	HIMSXUGXDFYSME-LJQANCHMSA-N	424.570	3.944	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccccc3Oc3cccnc3)CC2)cc1F	753729693	FHNMPAVJCBHGHX-UHFFFAOYSA-N	407.445	3.984	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(-c4csc(C)n4)c[nH]3)CC2)cc1F	753742085	MSLUWAIKVGCCBD-UHFFFAOYSA-N	400.479	3.557	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)CC2)cc1F	753920564	XAXLPMZDFRBYCF-JXFKEZNVSA-N	407.530	3.507	10	20	HHCD	
COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)CO2	754552720	RARIWKVIYSKTNZ-HNNXBMFYSA-N	413.429	3.660	10	20	HHCD	
CCOC(=O)c1ccccc1NC(=O)CN(Cc1ccco1)Cc1ccccc1O	756326101	CLNHJZGBUFCCFW-UHFFFAOYSA-N	408.454	3.803	10	20	HHCD	
CC[C@H](Cc1ccccc1)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759239986	STMGDMFAABWKBS-LJQANCHMSA-N	412.530	3.630	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1noc(Cc2ccccc2)n1	759582148	AAWJXHWAVJIIGM-ZDUSSCGKSA-N	403.533	3.660	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2sccc2OC)nc1-c1ccccc1	760304961	OFLRDEJGVHISIQ-UHFFFAOYSA-N	424.525	3.858	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1F	763026778	YAGUTCSDTVUVEV-FQEVSTJZSA-N	415.900	3.867	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Oc1ccc(F)cc1Br	763279519	MADQKODJCBGOEA-WDEREUQCSA-N	412.255	3.514	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)cc1F	765694166	UKIBRCGFKUERHB-UHFFFAOYSA-N	418.557	3.749	10	20	HHCD	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	769172656	JVEKRPNESAJZJO-WOJBJXKFSA-N	402.535	3.965	10	20	HHCD	
COc1cc(Br)cc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1O	769402455	XYRGZANQAJHPQX-LLVKDONJSA-N	403.317	3.508	10	20	HHCD	
CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	770135285	ZYUVKYLXBPBALU-IBGZPJMESA-N	402.516	3.864	10	20	HHCD	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	775257745	MZLDPDPLUTZUGX-SJORKVTESA-N	417.500	3.672	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1COC2(CCCCC2)O1	776063504	DFYSDBWWQGVMMC-OAQYLSRUSA-N	401.551	3.894	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(c2ccc(F)cc2F)CCC1	777404127	QCTXCEMZYFGMOZ-UHFFFAOYSA-N	414.496	3.912	10	20	HHCD	
COc1cc(CNCc2ccc3c(c2)CCCN3C)c([N+](=O)[O-])cc1OCC(F)F	779060144	FXFIXXDPEYTLDL-UHFFFAOYSA-N	421.444	3.920	10	20	HHCD	
CCOCCOc1ccc(Br)cc1NC(=O)/C=C\c1ccc(O)c(O)c1	779547094	RGZCHUYHBKVAPD-YWEYNIOJSA-N	422.275	3.928	10	20	HHCD	
CC(C)Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)n(C)n1	783484354	BKZCIUKRNLEVRV-KRWDZBQOSA-N	419.529	3.934	10	20	HHCD	
C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1	784514456	GYMFHYVBEWHDEH-BRWVUGGUSA-N	411.493	3.761	10	20	HHCD	
O=C1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2ccccc21	786410184	RAAKVEMPPISNGT-YLJYHZDGSA-N	412.917	3.887	10	20	HHCD	
COC(=O)CN(Cc1cccc(Br)c1)Cc1cc(OC)c(C)cc1O	788778329	BMCYZZZZPBVKQQ-UHFFFAOYSA-N	408.292	3.647	10	20	HHCD	
O=C1[C@H](NCc2cc3c(cc2O)OCO3)CCCN1c1ccc(Cl)cc1Cl	788972678	FWQNDQXORZODLA-CQSZACIVSA-N	409.269	3.713	10	20	HHCD	
CCSCc1ccccc1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	790045207	BYBAACYZEVWPNP-UHFFFAOYSA-N	411.571	3.538	10	20	HHCD	
CCOc1cccc(CNCC2(COC)CCN(C(=O)OC(C)(C)C)CC2)c1O	790651620	FMFVJFAYTXVROC-UHFFFAOYSA-N	408.539	3.544	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC4(CCOCC4)CC3)cc2F)C[C@@H](C)O1	790673610	QDJXTPRTQAMTPT-HDICACEKSA-N	419.541	3.542	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C	791250975	VKOYYSSHETYNJY-UHFFFAOYSA-N	413.474	3.905	10	20	HHCD	
Cc1cc(CC(=O)OC[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccc(Cl)cc1	791627169	LUGWBHLCLANFFZ-MRXNPFEDSA-N	409.935	3.658	10	20	HHCD	
C[C@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cc(F)cc(F)c1O	793559340	KJFJHZJCKBJNTA-YTEVENLXSA-N	415.440	3.746	10	20	HHCD	
COCc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c1	795550397	VQWQOVRSBSWFLW-UHFFFAOYSA-N	420.512	3.775	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC[C@@H](S(C)(=O)=O)CC3)c2C)c1	800622969	XAVFDYXZBSRGHU-HXUWFJFHSA-N	402.560	3.750	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)C[C@@H](O)C(F)(F)F)cc2Cl)C1	800720375	SDJLDFXIZNUKQB-MLGOLLRUSA-N	407.864	3.641	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccn1	804705039	RAJOBTKXSDMAJU-QFIPXVFZSA-N	408.546	3.688	10	20	HHCD	
CCN(C)c1ccccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	804831911	DJXOBUBIFZEPOO-UHFFFAOYSA-N	423.557	3.826	10	20	HHCD	
COCC(C)(C)CCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	804970501	XNGJBJCFYWDBTL-IAGOWNOFSA-N	409.546	3.691	10	20	HHCD	
O=C(NCCc1ccc2[nH]ccc2c1)C(=O)N(Cc1ccccc1O)C1CCCCC1	806554694	YNSZMBHTUMUSGD-UHFFFAOYSA-N	419.525	3.894	10	20	HHCD	
CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807511702	SQNRFFIXYWFNBI-LLVKDONJSA-N	413.305	3.758	10	20	HHCD	
CC[C@H](NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O	811505301	AITQMTQXBXMYQE-VBNZEHGJSA-N	408.486	3.560	10	20	HHCD	
CCOC(=O)[C@H](F)C1CN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	817662446	OSSJOIJCUOOQPU-HXUWFJFHSA-N	406.885	3.650	10	20	HHCD	
CC[C@@H](C)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	913962428	WJFRAMJOCFNDBK-GARZTLJTSA-N	413.362	3.565	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2cccc3cccnc23)c(C)n1-c1ccccc1	915749396	VDCHEJSFRSQNDN-UHFFFAOYSA-N	412.493	3.940	10	20	HHCD	
CC1CCN(CCCCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1	916502270	QFXBGPCCAWASMT-OAQYLSRUSA-N	403.567	3.595	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NS(=O)(=O)Cc3noc4ccccc34)c2C)c1	916821361	IOUDLUZQWFTSMY-UHFFFAOYSA-N	423.494	3.804	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)cc1	918394455	BRYMKNYUZFXYTF-UHFFFAOYSA-N	423.538	3.664	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	918456789	VAYPGDJKOVJFPE-UHFFFAOYSA-N	415.921	3.853	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3COC4=O)n2)cc1	918744905	UYPJRDSAGWARJL-UHFFFAOYSA-N	416.480	3.680	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)NC2)c(C)n1-c1cc(Cl)cc(Cl)c1	919341330	YGBOWTNMORSCTI-ZDUSSCGKSA-N	423.296	3.653	10	20	HHCD	
CN(CC(=O)NCc1ccc(N2CCSCC2)cc1)c1nc2ccccc2s1	919749547	YKIBUXJQZPNUDU-UHFFFAOYSA-N	412.584	3.602	10	20	HHCD	
Cc1cc(C(=O)NC2(C(N)=O)CCCCC2)c(C)n1-c1ccccc1Br	919852118	ISEWCOSNPBGXAS-UHFFFAOYSA-N	418.335	3.775	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)cc2)cn1	1116889473	CGBSNUKJZWMEMW-BOPFTXTBSA-N	415.540	3.933	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)CCc1ccc(C)cc1	1256594595	LUPQEUGGKUHVSE-UHFFFAOYSA-N	412.349	3.858	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3)n2)cc1	1318194708	DMHIEZNKSBQDLG-UHFFFAOYSA-N	421.931	3.900	10	20	HHCD	
C[C@@H](NCc1ccccc1N1CCN(C)CC1)c1cc(Br)cc(F)c1O	1320249322	YAZFVWMAYASBKI-CQSZACIVSA-N	422.342	3.896	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1	1324137157	YGRXIYBCNCSTGB-LEXSJLIMSA-N	424.280	3.708	10	20	HHCD	
Cc1cc(C(=O)CSc2ccccc2F)c(C)n1-c1ccc(S(N)(=O)=O)cc1	5643666	XGIQNRNTHRMLQO-UHFFFAOYSA-N	418.515	3.856	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc2c(cc1Br)OCO2	16387235	LBEAVEXPSOOVGF-UHFFFAOYSA-N	419.319	3.646	10	20	HHCD	
C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	47293589	HXSWSHFIEDINLE-CQSZACIVSA-N	406.885	3.524	10	20	HHCD	
COc1ccccc1C1=N/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)O1	59465637	YTBKZTFOIVQAEX-GHRIWEEISA-N	407.426	3.938	10	20	HHCD	
Cc1cc(NC(=O)CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)no1	96981971	KROMIWMJXJVOMV-VMPITWQZSA-N	405.454	3.913	10	20	HHCD	
CCc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)N(C)C)cc1	302905022	YRVFRLIDPPRQGC-XMMPIXPASA-N	424.589	3.530	10	20	HHCD	
CCN1CCN(CCCCNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	303586115	SQBMWDHSIMWVOR-UHFFFAOYSA-N	416.997	3.895	10	20	HHCD	
Cc1c(CNC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)n(C)c2ccccc12	472230996	IADJAAHEDOWBEO-KRWDZBQOSA-N	402.502	3.970	10	20	HHCD	
CC[C@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	702617200	ZUNFDRQPBWOZQS-PZJWPPBQSA-N	419.363	3.832	10	20	HHCD	
CN(C)C1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCCC1	726610195	JNMOIWAYECVRIJ-UHFFFAOYSA-N	424.536	3.821	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1	726695787	XWKYBYZWNJTSGI-UHFFFAOYSA-N	405.401	3.807	10	20	HHCD	
CCOc1ccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1OC	727176068	FULCGCMAFSOJBD-GZTJUZNOSA-N	408.589	3.883	10	20	HHCD	
COc1cccc(CNC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1O	729858796	DFFUMQUNTZXZQP-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	730119028	FTYFUPGGCDDHIC-UHFFFAOYSA-N	419.529	3.711	10	20	HHCD	
Cc1nccn1-c1ncccc1CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731120281	SZZSAIBCRGFTGS-UHFFFAOYSA-N	418.545	3.811	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CN2C(=O)CCc3ccccc32)cc1	731989606	MNDWZIBAWCEXOX-UHFFFAOYSA-N	419.447	3.623	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)c1C	732565007	STVVOMQQTCWZSN-QFIPXVFZSA-N	408.590	3.643	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1	734016463	SYHOZUOTYBGUGW-SFHVURJKSA-N	418.493	3.723	10	20	HHCD	
Cc1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)nnc1C	734326148	VLQJTUCYYOWZLN-UVTDQMKNSA-N	418.569	3.775	10	20	HHCD	
CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	736375092	GZTKNLSRULOJID-IIBYNOLFSA-N	417.937	3.752	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1	737208204	DXHHUGNCCYVRTQ-UHFFFAOYSA-N	408.502	3.755	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3cc4cc(C)c(C)cc4o3)CC2)cc1	742590396	JINUPVYCAAJPPS-UHFFFAOYSA-N	407.514	3.610	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801900	UHBOCPXBXCLDSI-CQSZACIVSA-N	405.401	3.903	10	20	HHCD	
Cc1ccc(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	743605105	SOLQFYOOKRDUNR-QGZVFWFLSA-N	404.461	3.502	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccccn3)no2)cc1	746019357	ZJGNFFGDSJZVRI-LJQANCHMSA-N	406.486	3.624	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@H]1CCCSC1	748735619	UUAPFLOYWWFYAZ-GVIGZQTCSA-N	412.627	3.741	10	20	HHCD	
Cc1cnc(C(C)(C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	751082311	IASRUSUOFNCVPO-ZIAGYGMSSA-N	420.554	3.939	10	20	HHCD	
COc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1F	751356614	SNAGBVPIILFPQH-UHFFFAOYSA-N	416.518	3.667	10	20	HHCD	
CSc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nc1	752822420	LZJZHTGTAZFKLG-OKILXGFUSA-N	404.511	3.878	10	20	HHCD	
C[C@@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(Br)cc1O	756536091	PIGBPBGTBILGEL-UZLBHIALSA-N	418.379	3.794	10	20	HHCD	
CC1CCN(S(=O)(=O)Cc2ccccc2CN[C@@H](C)c2ccc(F)cc2O)CC1	756769079	JJWYAVZLWJJVAS-KRWDZBQOSA-N	420.550	3.944	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccc1)c1cccs1	759596922	WRAKTDOZCZHOEJ-XBFAEUMISA-N	409.463	3.622	10	20	HHCD	
CN(CCOc1cccc(Br)c1)Cc1ccc(N2CCOCC2)cc1	759697102	QBNSSJBBQJEZCB-UHFFFAOYSA-N	405.336	3.797	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)CC(F)F)c(C)n1-c1cccc(Br)c1	760684936	MQPNKHCNVNWERA-CYBMUJFWSA-N	401.251	3.603	10	20	HHCD	
CCO[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C12CCCCC2	761484528	UDFHOBLQRKGMAW-MSOLQXFVSA-N	406.910	3.938	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)c1	761967272	JZMDLUHQFZXYFO-OXJNMPFZSA-N	412.486	3.769	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)c2ccco2)c(C)n1-c1ccc(F)cc1	763005354	BZVACCCGGWKAQZ-LJQANCHMSA-N	410.445	3.940	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OCCN(C)C)cc1	765286231	JKQWVZDUJCYTHT-GOSISDBHSA-N	415.553	3.578	10	20	HHCD	
Cc1cc(F)ccc1-n1ccc(C(=O)NCc2cccc(Br)c2O)n1	765727047	JUJUWDMCURTLTO-UHFFFAOYSA-N	404.239	3.718	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2cccc(Br)c2O)ccc1OC(C)C	766201881	WVCCRKIMDORUCE-UHFFFAOYSA-N	414.321	3.729	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)c1O	767127575	VVQJOOUEXSUOIE-NSHDSACASA-N	411.271	3.733	10	20	HHCD	
CCCCCn1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1	767207172	ZIHPCIHERZNHPA-SFHVURJKSA-N	413.566	3.779	10	20	HHCD	
C[C@@H](N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1O	768279497	ZIYMSOPPLLVUCH-OCCSQVGLSA-N	423.391	3.771	10	20	HHCD	
O=C(NCc1ccc(F)cc1)C1CCN(Cc2cc(Br)ccc2O)CC1	768345134	DHKBKONYNJYPHK-UHFFFAOYSA-N	421.310	3.822	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2oc1=O	768915022	HZARRGBRTOWOIL-QGZVFWFLSA-N	412.873	3.546	10	20	HHCD	
O=C(CCCc1ccccc1)N1CCN(Cc2cccc(Br)c2O)CC1	769232707	MILOVZHTEJOQRH-UHFFFAOYSA-N	417.347	3.822	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)c1O	769504365	WLGWFESUEBYXIM-NSISKUIASA-N	422.525	3.801	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1	772212349	PCBUJOYMVUSCEY-UHFFFAOYSA-N	402.450	3.591	10	20	HHCD	
O=[N+]([O-])c1ccsc1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	775668887	LLUJJELMYLVDBF-UHFFFAOYSA-N	414.466	3.524	10	20	HHCD	
CN1CCC[C@@H]2CN(Cc3cc(Br)cc(Br)c3O)CC[C@@H]21	775741800	QRDWIFANZNTKBI-ABAIWWIYSA-N	418.173	3.833	10	20	HHCD	
Cc1ccc(C(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)c(O)c1O	780954941	RNPWWGADMURDJP-UHFFFAOYSA-N	410.495	3.528	10	20	HHCD	
CCNC(=O)COc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	782703610	DDYRKAHZAUCYQK-UHFFFAOYSA-N	412.534	3.710	10	20	HHCD	
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)OCC(=O)c1ccc(O)c(O)c1	782794126	ZFNKBIOJUHOBMZ-UHFFFAOYSA-N	416.817	3.550	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1F	783141640	BDMYAXJNQZQZKR-UHFFFAOYSA-N	416.453	3.505	10	20	HHCD	
C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783469510	MWOQCEHDOBJHNY-AWEZNQCLSA-N	407.422	3.682	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(C)nn3-c3cc(C)ccn3)CC2)cc1	786071865	UEJJYHCXEYKVMY-UHFFFAOYSA-N	420.517	3.637	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3coc(C4CC4)n3)c2C)cc1	786170810	HRXPWYSGUJVVNU-UHFFFAOYSA-N	422.437	3.786	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4cccc(C)c4)CCCC3)cc2)CC1	786660136	WIXKRJUECHNMRQ-UHFFFAOYSA-N	419.569	3.792	10	20	HHCD	
CCC1(CC)CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1	786713214	XMPFZSSOUFPRQB-HXUWFJFHSA-N	414.594	3.890	10	20	HHCD	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788938209	QFOYVSOTFNOMFD-HTAPYJJXSA-N	409.505	3.652	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3c(Cl)cccc3OC)CC2)cc1	790283420	GMLWVUNSSCUDIQ-UHFFFAOYSA-N	403.910	3.825	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3cnccn3)c2C)cc1	795923221	JAVRGSSNZQSADH-UHFFFAOYSA-N	407.470	3.642	10	20	HHCD	
CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2ccc(N3CCCCC3)cc2)s1	796530559	VNXTWMYSTPXVGQ-JKSUJKDBSA-N	401.580	3.844	10	20	HHCD	
CC[C@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(C)cc1O	800989726	IMFPXTKXTNRVFF-INIZCTEOSA-N	400.903	3.512	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1	801548984	ZLYOPEKXYTVVAC-UHFFFAOYSA-N	418.559	3.865	10	20	HHCD	
CCOCCCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1	802628085	LCAASMNYVVDQCD-KRWDZBQOSA-N	419.545	3.693	10	20	HHCD	
CCSc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	804590705	LLEXFWRBRRKUCB-QGZVFWFLSA-N	409.555	3.668	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N(Cc1ccccc1)Cc1ccco1	806282861	WPLCDHDOXJNYAH-UHFFFAOYSA-N	415.540	3.564	10	20	HHCD	
C[C@H](NC(=O)Nc1cnn(C)c1-c1ccccc1)c1ccc(N2CCOCC2)cc1	806780769	GDLAJQIKFPMNCY-KRWDZBQOSA-N	405.502	3.806	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccncc2OC[C@H]2CCOC2)cc1	807895755	NPPAHEQFKCRJTP-IBGZPJMESA-N	405.498	3.834	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)cc1F	808328050	JOLDHNUORIRZSG-UHFFFAOYSA-N	418.534	3.685	10	20	HHCD	
C[C@H]1[C@@H](N2CCCC2)CCN1Cc1cc(Br)cc(Br)c1O	809724759	YJRURBMIRZXSQD-NHYWBVRUSA-N	418.173	3.976	10	20	HHCD	
CN(C)C(=O)[C@H]1CCCN1CCCN[C@H](CCc1ccccc1)c1ccccc1O	815573664	PWQHHZXKMKCBOV-DHIUTWEWSA-N	409.574	3.598	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnc2c(F)ccc(F)c2c1	815655344	PNXFAWGAAGGQFU-UHFFFAOYSA-N	411.452	3.652	10	20	HHCD	
Cc1nc(Br)sc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	816921880	JXDSHCPUAUWBPK-ZDUSSCGKSA-N	411.321	3.741	10	20	HHCD	
COCCNC(=O)c1ccc(Cl)c(NCc2c(O)cccc2Br)c1	864004412	NMQICPHFSBCLRR-UHFFFAOYSA-N	413.699	3.796	10	20	HHCD	
CCOC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1	914455841	COLMVVGAURZFEN-LJQANCHMSA-N	413.518	3.743	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)n2)cc1	917845161	SVNYYGUFQJEOFQ-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C)c(Br)c1	918303287	AENMUQXEHUYZQE-UHFFFAOYSA-N	418.335	3.811	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c(C)n1-c1cccc(Cl)c1	919983493	XNBYVUIIYUNUCU-INIZCTEOSA-N	408.951	3.644	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccc(CS(=O)(=O)NC(C)C)cc1	1116588610	IDGNEKJAIJICSS-LPHOPBHVSA-N	402.560	3.867	10	20	HHCD	
Cc1cc(C(=O)COC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1	5708527	OHNKPJNRDUZRKF-UHFFFAOYSA-N	408.410	3.807	10	20	HHCD	
CCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc1OC	40888413	IVGRHCWDCGCLMM-VBKFSLOCSA-N	409.529	3.638	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@H]3CCCN(Cc4cccs4)C3)ccc21	64644419	CBRGLFGKXBAIFV-LJQANCHMSA-N	412.603	3.842	10	20	HHCD	
O=[N+]([O-])c1cnc(N(Cc2ccccc2O)C[C@H]2CCCO2)c(Br)c1	301876571	SHVXQQAZAFNCBA-CQSZACIVSA-N	408.252	3.644	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)ccc21	303424582	ZIAUBGUSZMEDTM-QHCPKHFHSA-N	411.521	3.863	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3cccc(C(=O)N(C)C)c3)ccc21	525031630	BKJSTMPCDMROKD-UHFFFAOYSA-N	421.541	3.579	10	20	HHCD	
CCC1(C)CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	725806420	YGVHRFIPPNVRHC-HDICACEKSA-N	405.558	3.568	10	20	HHCD	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)NC2=S)c(C)c1	727435810	XBEDFCGYCJPSOT-QGOAFFKASA-N	411.502	3.541	10	20	HHCD	
O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)c(F)c2)N1CC(F)(F)F	727464533	UJRRZYIIJIHGKY-GOSISDBHSA-N	409.383	3.791	10	20	HHCD	
CC(C)(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1Cl	728818677	HHGBQSOVFUSDBC-QGZVFWFLSA-N	413.949	3.636	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2nc(CN3CCOCC3)cs2)c1	729321757	ALBZQPMBJCTEJM-UHFFFAOYSA-N	410.543	3.944	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731050930	RCXLJDVQKMIKEK-UHFFFAOYSA-N	412.490	3.839	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)CC1CCOCC1	732452482	CKLFDIXQWHLCFV-UHFFFAOYSA-N	423.557	3.662	10	20	HHCD	
COC(=O)CCCc1nc(COC(=O)c2cc(C)n(-c3ccccc3C)c2C)no1	733373041	PHIJGXVSWHJKAS-UHFFFAOYSA-N	411.458	3.638	10	20	HHCD	
Cc1cc(CC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	740802118	KISVKPRRFVNEJE-AZUAARDMSA-N	422.978	3.762	10	20	HHCD	
CCO[C@H]1C[C@H](O)C12CCN(CC(=O)c1cc(C)n(-c3cccc(F)c3)c1C)CC2	741251101	IYGWFDODQZRPSN-GOTSBHOMSA-N	414.521	3.668	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c(C)n1-c1ccccc1Br	746655268	SIBLJDHHCOQRBA-HNNXBMFYSA-N	418.335	3.584	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCc2c(F)ccc(F)c2C1	752361172	ALPFAIGSJZPVDD-UHFFFAOYSA-N	403.498	3.786	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3cccc4ncccc34)CC2)cc1F	753860583	IYMGWHSKOCOFBS-MRXNPFEDSA-N	408.477	3.532	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1F	753911766	PRKQICFJXSFEHD-OAHLLOKOSA-N	416.453	3.644	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3F)CC2)cc1F	753920226	SPSWZYDMVLDHFA-KBXCAEBGSA-N	405.420	3.500	10	20	HHCD	
O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	755294200	XXZRUUNPIWKQIU-UHFFFAOYSA-N	419.428	3.914	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)cc1	756456744	FGTACSUIYZSGCT-RDTXWAMCSA-N	406.523	3.898	10	20	HHCD	
C[C@H](NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756688064	XRXGDPSEAOZNIR-LIRRHRJNSA-N	405.882	3.678	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(Br)cc(F)c2O)cc1	756876273	ZTULKAJGSHAYTR-LLVKDONJSA-N	416.312	3.938	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)c2ccc(OC)c(F)c2)sc(C(C)=O)c1C	757858154	YQYDOIUXMNEFGN-UHFFFAOYSA-N	422.478	3.658	10	20	HHCD	
COCCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	758080568	AVNRGOSRUHTJOU-UHFFFAOYSA-N	415.445	3.668	10	20	HHCD	
Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	758960810	KUSPBQGZIOMOEK-UHFFFAOYSA-N	404.470	3.505	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)c3cccnc3Br)ccc21	759066635	YKRVMUOPQWJPHE-UHFFFAOYSA-N	407.223	3.872	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1nc(Cc2ccccc2)no1	759582198	ALHVUYKJDPIBNZ-ZDUSSCGKSA-N	403.533	3.660	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccc(F)cc1)C1CCCC1	759590817	XSMDUDXMSYBERD-LJAWCQOGSA-N	413.445	3.841	10	20	HHCD	
COc1cc(Cl)cc(CN(CCO)Cc2cc(Br)ccc2F)c1O	761196072	VJODMVSVLUYUOD-UHFFFAOYSA-N	418.690	3.950	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1	761649232	QVQMLHFDZUKXCV-DLBZAZTESA-N	421.501	3.695	10	20	HHCD	
CCc1nc(C(=O)NCCc2ccc(O)c(O)c2)nn1-c1c(Cl)cccc1Cl	762268451	GUUUBAPRJVHLJR-UHFFFAOYSA-N	421.284	3.520	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c(C)n1-c1cccc(C(C)C)c1	762669862	AWYNVGUWLYVIBO-INIZCTEOSA-N	402.560	3.724	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1CC(C)C	766367784	PJQOBGXEDFKMIR-HZPDHXFCSA-N	402.514	3.530	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N(C3CCCCC3)C3CC3)CC2)cc1	766846648	YPSADLRBKWDSAW-UHFFFAOYSA-N	414.594	3.714	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc(OC[C@@H]2CCOC2)c(F)c1	767692504	XDHUYBRLDAKCAO-MRXNPFEDSA-N	420.506	3.642	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(Cn2ccnc2)c1	771063975	GFLYWHZELWZTJI-OAQYLSRUSA-N	424.932	3.685	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(Br)ccc1Br	773414079	PTFZERLMHHXUFK-UHFFFAOYSA-N	401.054	3.553	10	20	HHCD	
COc1ccccc1NC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	773630782	VVNACSWOFFBQLD-QGZVFWFLSA-N	424.545	3.883	10	20	HHCD	
CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775674724	FGBTXBGXDQSEPC-CVEARBPZSA-N	418.563	3.712	10	20	HHCD	
Cc1cc(Br)cc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)c1O	775737767	SFBPNJXGJHYBIQ-HOTGVXAUSA-N	412.349	3.849	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCOC[C@@H]2c2ncon2)cc1	778953308	ZZWYAFVPPMAJTP-LJQANCHMSA-N	406.446	3.765	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnn(-c2ccccc2Br)c1	779484274	AZPSXXPTRCXAEP-SOFGYWHQSA-N	400.232	3.698	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC)c(OCC)c1	784024769	SBBJSRFUJFULMF-UHFFFAOYSA-N	400.475	3.567	10	20	HHCD	
CC(C)(C)c1nnc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)s1	784108362	IAZGAGZJCIZOGQ-UHFFFAOYSA-N	401.536	3.580	10	20	HHCD	
O=C(N[C@H]1CCOc2c(F)cccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	785976153	VNDYRKNIBFCSLJ-LPHOPBHVSA-N	400.450	3.746	10	20	HHCD	
Cc1ccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1F	788509826	ZOQUCOQJOBBHFP-HOTGVXAUSA-N	404.457	3.582	10	20	HHCD	
Cc1cc(C(=O)NCCOCC(F)F)c(C)n1-c1ccccc1Br	788538764	PNEUDQXLTNPUET-UHFFFAOYSA-N	401.251	3.868	10	20	HHCD	
Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccccc1Cl	789844991	ZQUDOUAIZSYZBI-GFCCVEGCSA-N	400.866	3.998	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(O[C@H]3CCOC3)cc2)cc1	789918543	CSHSYZCDGJKFFU-RPWUZVMVSA-N	424.541	3.742	10	20	HHCD	
CCCc1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1	790164795	NRLBPBCFJIEFLD-UHFFFAOYSA-N	408.951	3.608	10	20	HHCD	
O=C(c1cc(Br)cc(NCc2cc3c(cc2O)OCO3)c1)N1CCCC1	790497040	MPSQAQFUMBRKCX-UHFFFAOYSA-N	419.275	3.732	10	20	HHCD	
OCCN(Cc1ccc(Br)s1)Cc1cccc(Br)c1O	792196638	QEDIRZUSCFMDPV-UHFFFAOYSA-N	421.154	3.973	10	20	HHCD	
CC(C)(C)c1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1[N+](=O)[O-]	792998831	CEYKMNXGCSYCTA-UHFFFAOYSA-N	422.532	3.586	10	20	HHCD	
COc1ccc(CNC(=O)c2c(-n3cccc3)sc3c2CCSC3)c(O)c1	794381359	LGAZMHHFLSMPOI-UHFFFAOYSA-N	400.525	3.972	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)cc1F	798087928	ABAVQTZCUUWQRI-KBXCAEBGSA-N	423.410	3.639	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc(C)c1Cl	799518914	VIRNFINQGGHHAQ-QGZVFWFLSA-N	414.937	3.980	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1sc(N2CCOCC2)nc1-c1ccccc1	799689962	VOONMBXQOZQVLU-UHFFFAOYSA-N	409.511	3.625	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CN3C(=O)N[C@@H](CC(F)(F)F)C3=O)cc2Cl)C1	804188079	JMDFXORNCZEMTD-RISCZKNCSA-N	403.832	3.949	10	20	HHCD	
C[C@H](Cc1cncc2ccccc12)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	806514317	VHERTHGENWSSEV-QGZVFWFLSA-N	421.516	3.830	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccnc(-c2ccc(Cl)cc2)n1	806557082	LQKGYYCQVYHRTG-UHFFFAOYSA-N	408.889	3.564	10	20	HHCD	
COc1cc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)c1C	806857138	TVPDFUJBPFXHMF-UHFFFAOYSA-N	409.530	3.816	10	20	HHCD	
O=C(N[C@H]1CCc2ccccc2OC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	807699069	FRUYMBSXPDIROO-FQEVSTJZSA-N	422.525	3.564	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)cc(OC)c1OCC(F)F	809144167	GASNXDCGEIZYEF-NTUHNPAUSA-N	401.456	3.711	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)c1O	811512528	NMPPOOMKOJJVJM-UHFFFAOYSA-N	401.394	3.969	10	20	HHCD	
COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ccccc1O	812133977	GHRCPNNCXSZEPV-UHFFFAOYSA-N	403.486	3.790	10	20	HHCD	
Cc1c(Br)cc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C(=O)O	813357759	SSFVQQZMBFUJDS-UHFFFAOYSA-N	418.335	3.820	10	20	HHCD	
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1cc(Cl)c(F)cc1O	816565235	HGMVHJHIZHBFFR-UHFFFAOYSA-N	416.902	3.882	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1ccccn1	913362949	ZDXBHYSZESTQDJ-RVDMUPIBSA-N	404.538	3.868	10	20	HHCD	
Cc1cc2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)n2n1	914490930	FVSHUXRTAIGLMV-UHFFFAOYSA-N	403.486	3.848	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)sc2c1CCCC2	914720500	HBWSPPNAVASKRT-CYBMUJFWSA-N	404.532	3.533	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)c(C)n1-c1ccccn1	914903935	VLEMPXBGNNFCOK-SFHVURJKSA-N	403.482	3.619	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cc1[N+](=O)[O-]	915222321	QJPDJVBXQLBGIV-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
COc1ccc(Br)cc1C(=O)CCC(=O)N(C)Cc1ccccc1O	917310376	UUDHWXQFMPRFIT-UHFFFAOYSA-N	406.276	3.785	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccccc3F)cc2F)C[C@@H](C)O1	918223205	YIWZNKIMRYHEOB-IYBDPMFKSA-N	403.473	3.920	10	20	HHCD	
COc1cc(F)cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	1116266471	UJAXCJWDWRQWHO-OKILXGFUSA-N	405.445	3.909	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(OC)c(Br)c3)CC2)cc1	1253854251	XEAMCYSXMIOTRL-UHFFFAOYSA-N	419.319	3.819	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OCCOC)CC2)cc1	1320394233	MWXRGTZYUODUNT-UHFFFAOYSA-N	418.921	3.726	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3cccc(C(F)F)c3)cc2F)CC1	1320803994	WQSPNTMZHYFQBX-UHFFFAOYSA-N	420.479	3.905	10	20	HHCD	
C/C=C(/C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1821900556	FRGZSZJGHMDWIJ-OVKUULJCSA-N	418.881	3.746	10	20	HHCD	
C[C@@H](OC(=O)CCc1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	7290814	JMYNKAKWHKPGNX-CQSZACIVSA-N	417.417	3.558	10	20	HHCD	
COC(=O)CCCNC(=S)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1	7368677	UVADVEOAMROXLO-UHFFFAOYSA-N	415.559	3.596	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCCN(Cc4ccccc4)CC3)CC2)cc1	110423159	VUBFNWNMGNHAKG-UHFFFAOYSA-N	422.573	3.582	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccn3C)cc2F)C[C@@H](C)O1	227111728	VVDNQYNLNWHLJR-JKSBSHDWSA-N	414.525	3.825	10	20	HHCD	
CN(C)c1ccc(CNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1	237124625	FXMSNYOBUYLWQA-OAQYLSRUSA-N	407.480	3.935	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCOc1ccc(Br)cc1F	437010070	NPGPCKCFUPQBLV-UHFFFAOYSA-N	423.282	3.849	10	20	HHCD	
CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1	486017544	PCDMCWJUXQVBKN-HXUWFJFHSA-N	413.562	3.673	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2F)C[C@H](C)O1	727708054	JDAOTLGEBBDQGY-RYUDHWBXSA-N	423.391	3.556	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C2CC2)cc1	728119190	JGSQZUMSTSCWKL-UHFFFAOYSA-N	412.509	3.925	10	20	HHCD	
CN(C)c1ccc(CN(Cn2nc(-c3cccs3)oc2=O)CC(F)(F)F)cc1	728904124	GVBWXWLVBQQNBV-UHFFFAOYSA-N	412.437	3.653	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3nc(C4CC4)cs3)cc2F)CC1	730110777	RYNTXLWFCUBXIU-UHFFFAOYSA-N	403.527	3.623	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(OC)ccc1OC(C)C	730386786	XGYAFGLCENCGFP-UHFFFAOYSA-N	413.518	3.536	10	20	HHCD	
O=c1cc(CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)[nH]c2ccnn12	731212343	HSPATOANLJHKCE-QPJJXVBHSA-N	414.465	3.514	10	20	HHCD	
COc1ccc([C@H](NC(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)cc1	732203106	LSOJLGBDHCWXCQ-RCZVLFRGSA-N	424.541	3.649	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1	741213445	ZVFFMVMUHIAWIQ-UHFFFAOYSA-N	422.550	3.999	10	20	HHCD	
C[C@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCCC2	741736180	OQOLUEVFPRDSIU-FQEVSTJZSA-N	421.585	3.711	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801898	UHBOCPXBXCLDSI-AWEZNQCLSA-N	405.401	3.903	10	20	HHCD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	743647783	UFNSJDCJSCYSGJ-QRVBRYPASA-N	423.504	3.760	10	20	HHCD	
Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nnn1-c1ccc2ncccc2c1	743718827	SLKCVNCRYDQABY-UHFFFAOYSA-N	413.481	3.638	10	20	HHCD	
CC(C)(C)OC(=O)NCc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)cs1	743719386	ZVPHRIMIXAYEHL-UHFFFAOYSA-N	417.531	3.682	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(CN2CCOCC2)c1	745650787	WIEOGZPHNCXJIT-UHFFFAOYSA-N	424.589	3.705	10	20	HHCD	
CCN(c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1)C(C)C	748627232	TWPIOJNWXMWMHF-OAQYLSRUSA-N	422.573	3.553	10	20	HHCD	
CCCCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C1(C)C	752916873	VYRZXTDDFCYPRU-NHCUHLMSSA-N	403.567	3.648	10	20	HHCD	
CC(C)CC(C)(C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	753206016	YOSFYOIEPGINCD-UHFFFAOYSA-N	413.541	3.631	10	20	HHCD	
O=C(NCCc1csc(-c2ccccc2)n1)NCc1ccc(N2CCOCC2)cc1	753927551	AJCPWGNECVEFBM-UHFFFAOYSA-N	422.554	3.689	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1ccc(F)cc1)c1cc(Br)c(F)cc1O	756708816	RSGKKBHIKUPUDP-LLVKDONJSA-N	413.262	3.904	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc([S@](C)=O)cc1	756724921	OFIXFDVHTKXIJR-NXYYRJHCSA-N	416.543	3.581	10	20	HHCD	
C[C@@H](Nc1ccc(N2CC[C@@H](N(C)C)C2)cn1)c1cc(Br)ccc1O	756858479	UYBACFUPHTZURQ-CZUORRHYSA-N	405.340	3.863	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cncc(I)c1	756945457	FDUGLAVHPBVYIG-UHFFFAOYSA-N	421.282	3.607	10	20	HHCD	
OC[C@H](CNCc1c(O)ccc(Cl)c1F)Cc1ccccc1Br	758526686	JMABHRODWUXFGG-NSHDSACASA-N	402.691	3.888	10	20	HHCD	
CCc1ccc(NC(=S)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1	758916556	HTKBIXAGRDTKTA-UHFFFAOYSA-N	415.559	3.794	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnn(-c3cccnc3)c2)cc1	759157628	LAFHXPVSDUMMNG-UHFFFAOYSA-N	403.408	3.538	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnc([C@H]4CCCO4)s3)cc2F)C[C@@H](C)O1	760375927	CUSBYOOYQONWAS-QWQRMKEZSA-N	419.522	3.677	10	20	HHCD	
CC[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Oc1cccc(F)c1	761747959	FOSBCUYVURAPAC-INIZCTEOSA-N	406.841	3.807	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCO[C@@H](c2ccccc2)C1	762263242	KYSXCKHJARFFTA-IEBWSBKVSA-N	400.862	3.730	10	20	HHCD	
O=C1/C(=C/c2ccc(OC[C@@H]3CCCO3)cc2)SC(=S)N1Cc1ccon1	764410874	BVXJYOKTXDQXQQ-IUPCOXQMSA-N	402.497	3.634	10	20	HHCD	
C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(N2CCOCC2)c(F)c1	764724246	WILPQLYWJINFBX-CYBMUJFWSA-N	423.414	3.575	10	20	HHCD	
COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1[N+](=O)[O-]	765419417	HWVLPVISQPPEHF-AWEZNQCLSA-N	405.882	3.944	10	20	HHCD	
O=C(c1ccc(OCC(F)(F)F)cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1	765465489	QZEHQNJBSQFJBF-INIZCTEOSA-N	410.392	3.550	10	20	HHCD	
C[C@@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1	765592002	GOXBKSJGDRZHTN-QGZVFWFLSA-N	421.557	3.960	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O	767169687	IDDHSFCXFWWCHD-NRFANRHFSA-N	400.567	3.606	10	20	HHCD	
CCOc1cccc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c1O	769309873	GZIFEDIUAVFSTM-OAHLLOKOSA-N	424.497	3.605	10	20	HHCD	
COc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1I	773002151	YEPZTSWKZKDFAJ-GFCCVEGCSA-N	424.282	3.857	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1	774925794	WHDFWVAOLGUXSB-CQSZACIVSA-N	407.436	3.607	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	775773463	KCABQJILECKSOW-FPOVZHCZSA-N	413.493	3.621	10	20	HHCD	
COc1ccc(O)c(CN[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c1	777483622	WXXWYZDSCVWDDM-HSZRJFAPSA-N	411.523	3.992	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)n[nH]2)cc1C	780832329	JNKQRJUMNAJDMP-UHFFFAOYSA-N	422.504	3.724	10	20	HHCD	
CCn1ncc2c(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc(-c3ccccc3)nc21	782627006	HIBAIHGMBWTEOJ-UHFFFAOYSA-N	417.421	3.569	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1	782728421	QRIHHASJHGYQKF-JOCHJYFZSA-N	423.561	3.947	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n(C(C)(C)C)n1	782895751	IIOQWQROOTXZPY-UHFFFAOYSA-N	412.534	3.952	10	20	HHCD	
Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cc2)cs1	785427981	IIDMRBGTIDJAMZ-HNNXBMFYSA-N	422.554	3.678	10	20	HHCD	
COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	788986858	GLRSJOGCYUWKFW-MBSDFSHPSA-N	407.558	3.909	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)c1	792223749	DUDPSCUCDGJDEY-SECBINFHSA-N	413.257	3.532	10	20	HHCD	
CCOc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	793830909	QEMYUWACLVDBIS-QGZVFWFLSA-N	422.481	3.790	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C	796335725	ZFMJPFIWGRYEHD-XMMPIXPASA-N	410.514	3.733	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2ccc(N(C)C)c(F)c2)c1	796387495	CJIAKQMHJCFXOO-UHFFFAOYSA-N	409.527	3.543	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@@H]1CCCN1C1CCCCC1	798105263	XVALYOGFXFDZEZ-INIZCTEOSA-N	410.356	3.751	10	20	HHCD	
CSC[C@@H](C)C(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	799304827	JVZMETMGIMJWKR-GOSISDBHSA-N	419.635	3.727	10	20	HHCD	
CC(=O)NCCN(Cc1ccsc1)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	800851335	JXHDHAZLXNAAFV-UHFFFAOYSA-N	424.522	3.529	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1	801971083	XTBCSGJKBXANHE-FQEVSTJZSA-N	415.534	3.679	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2C)cc1	802551765	GAXRHJRKYHUMSN-UHFFFAOYSA-N	408.424	3.510	10	20	HHCD	
CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	804132457	HKAONIWNTWPKCY-QFIPXVFZSA-N	407.558	3.677	10	20	HHCD	
Cc1cccnc1[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(C)C	805025003	YYDFHDPSRDFXJQ-JOCHJYFZSA-N	422.573	3.756	10	20	HHCD	
C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)Cc1cccs1	807628328	VHITXJRXKQDKPM-SFHVURJKSA-N	413.587	3.692	10	20	HHCD	
COc1ccc(-c2ocnc2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	808305016	ATOGOVSQRKVHJV-MRXNPFEDSA-N	407.470	3.678	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3CCN(c4ccccc4Cl)C3)CC2)cc1	810181927	XAOATDYCNKAOJS-GOSISDBHSA-N	413.949	3.914	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1c(Br)nnn1C	813507356	HDURBTAHOLGYFP-ZDUSSCGKSA-N	415.291	3.687	10	20	HHCD	
Cc1cc(Br)cc(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)c1O	814171660	TUKZSQYKMFFHQH-UHFFFAOYSA-N	407.283	3.866	10	20	HHCD	
C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)OCO2	815835011	IBMUIMBUVXXNAC-KBXCAEBGSA-N	416.905	3.659	10	20	HHCD	
COc1ccc([C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1	838721251	VIYQWACBDBAFEQ-QHCPKHFHSA-N	409.530	3.825	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cc(C3CC3)[nH]n2)c(C)n1-c1ccc2c(c1)OCCO2	913348942	BURWBKDEIUXLII-UHFFFAOYSA-N	421.453	3.506	10	20	HHCD	
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1	918029479	PDMWNLGHBBUANE-UHFFFAOYSA-N	419.533	3.850	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccc(OCC(F)(F)F)nc2)C2CC2)cc1	918064806	OIKAOVLQSXAUGR-UHFFFAOYSA-N	422.451	3.963	10	20	HHCD	
CC(C)c1ccc(CN(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	918117491	MBEWWGWULXQAMN-JOCHJYFZSA-N	422.573	3.853	10	20	HHCD	
Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	918123315	TWVDZOFUILNGJF-REWPJTCUSA-N	420.557	3.743	10	20	HHCD	
COc1ccc([C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C(C)C)cc1	918198246	GGHJMVMWZWDHOU-JOCHJYFZSA-N	415.509	3.867	10	20	HHCD	
C[C@@H](Cc1ccccc1Cl)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	918215414	GLBMJNRUHXUBJQ-HNNXBMFYSA-N	405.901	3.746	10	20	HHCD	
CCN(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)c1ccc(OC)c(OC)c1	921062041	SRMOTERRNPFLBQ-UHFFFAOYSA-N	418.515	3.506	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2nc[nH]n2)c(C)n1-c1ccc(Cl)c(Cl)c1	1253059188	YLWOKWJFXIZBDC-UHFFFAOYSA-N	421.284	3.878	10	20	HHCD	
C[C@@H](NC[C@H](CO)CC1CCOCC1)c1cc(Br)cc(Cl)c1O	1256036039	XOTBDFQYCONMML-DGCLKSJQSA-N	406.748	3.884	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCCC(=O)N1CCN(c2ccccc2)CC1	1320133564	PZWLBPKEXQJCRR-FPOVZHCZSA-N	407.558	3.968	10	20	HHCD	
COc1cc(Cl)c(Br)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1	1339322481	LTUQKPBKGXCXJR-UHFFFAOYSA-N	415.623	3.562	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	4541644	ZZJSZASJSVSUOO-UHFFFAOYSA-N	411.389	3.937	10	20	HHCD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(N(C)C)cc2)nc1	26760130	NVLKFZLMUYRNJE-UHFFFAOYSA-N	410.543	3.975	10	20	HHCD	
Oc1ccccc1CN(C[C@H]1CCCO1)c1ccc2nnc(-c3ccccc3)n2n1	301948709	CAOCJZJAAVLPDG-LJQANCHMSA-N	401.470	3.683	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2(c3cccc(F)c3)CCCCC2)c1	303543731	GLLRYXZZNVIKIX-UHFFFAOYSA-N	420.506	3.535	10	20	HHCD	
Cc1c(CNC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)n(C)c2ccccc12	472229032	IARFWHWTKLVRCC-UHFFFAOYSA-N	410.562	3.811	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1	725863579	GHPBPCNNYHQFCJ-IBGZPJMESA-N	418.582	3.979	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3nc(-c4ccccc4)n[nH]3)c2C)cc1	726776042	ZRJCPAYRYWPJLJ-UHFFFAOYSA-N	401.470	3.818	10	20	HHCD	
CCCN(CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1ccccc1O	728926688	BJTSUXIVXWJMAN-XMMPIXPASA-N	412.530	3.889	10	20	HHCD	
C[C@@H]1Oc2c(cccc2C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)NC1=O	729313937	BWPGBAJATFHBPU-INIZCTEOSA-N	419.481	3.908	10	20	HHCD	
CO[C@@](C)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	730218012	BZUGHECMYXBNGI-JOCHJYFZSA-N	404.457	3.935	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C\c2cccc(OCCCc3ccccc3)c2)SC1=S	732193469	LDRQHMXXFRUYPB-QGOAFFKASA-N	413.520	3.984	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c1	732882450	VBUOYGPOQUTQJH-AWEZNQCLSA-N	420.531	3.997	10	20	HHCD	
Cc1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C(C)C)n1	734103196	MBFLJABNHWWINJ-UHFFFAOYSA-N	404.461	3.909	10	20	HHCD	
Cc1cc(C(=O)Nc2nc(C(N)=O)cs2)c(C)n1-c1cccc(Br)c1	735823033	PNACNXDBXTUOCT-UHFFFAOYSA-N	419.304	3.664	10	20	HHCD	
O=C(/C=C\c1ccc2ccccc2n1)NCc1ccc(N2CCC(CO)CC2)cc1	736195522	IJECFRSAQJZDMZ-XFXZXTDPSA-N	401.510	3.773	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c(C)n1-c1ccc(F)cc1	739811426	ZRQJPFDAUOBJTH-KRWDZBQOSA-N	419.456	3.691	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)cc1	740812973	LQIRMBDELFYSCW-UHFFFAOYSA-N	416.952	3.991	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c1	741283956	YRADBOWWEFYMHC-FZMZJTMJSA-N	423.296	3.938	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]1c1cccc(F)c1F	741698253	WNMOONSBCBWRST-UXHICEINSA-N	400.469	3.593	10	20	HHCD	
CCOC(=O)c1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc([N+](=O)[O-])c1	742475942	PMBBZLPWDQULRL-UHFFFAOYSA-N	411.458	3.692	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CCCN(c4ncnc5sccc45)C3)ccc21	742596803	BWUGSXPKPCLOMG-GOSISDBHSA-N	421.570	3.607	10	20	HHCD	
CC1(C)[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H]2CCCO[C@H]21	743648640	OKAVNLJFUACWPH-ZWQIFLOQSA-N	423.504	3.760	10	20	HHCD	
CCN(CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C(=O)OC(C)(C)C	745804726	NLOXJPWMNYWLNZ-UHFFFAOYSA-N	406.571	3.930	10	20	HHCD	
C[C@@H](NCc1nc2ccccn2c1Br)c1ccc(N2CCOCC2)cc1	748438780	GABNJZOYQRHTIV-OAHLLOKOSA-N	415.335	3.784	10	20	HHCD	
O=C(CCN(Cc1ccccc1O)C[C@H]1CCCO1)NCc1ccccc1Cl	749295035	AMQQEBKETKPSEU-LJQANCHMSA-N	402.922	3.733	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2ccc(F)cc2)CCC1	749419982	NXOPOHBNSBXYTB-UHFFFAOYSA-N	411.521	3.926	10	20	HHCD	
CC[C@]1(C)CCCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	751069916	SFTGZMUGNNCGPO-LJQANCHMSA-N	408.545	3.907	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1F	751111843	FZVRUCNCHMMEHH-UHFFFAOYSA-N	413.474	3.603	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc(F)cc1F	751466207	MDIGWSGJCIZAAY-UHFFFAOYSA-N	406.248	3.644	10	20	HHCD	
COc1ccc(CCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(OC)c1	754092223	PHERGOJEZOFKJI-OAQYLSRUSA-N	413.514	3.940	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cc(C)ccc2OC(F)F)SC1=S	756774003	DJDBOGGUAHXTBG-LCYFTJDESA-N	401.456	3.751	10	20	HHCD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1ncc(C(C)(C)C)s1)n2C	759718341	MZEYZQIDIGDOFT-UHFFFAOYSA-N	407.565	3.682	10	20	HHCD	
CCOCCC1(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CCCC1	763365093	FXPDWUQXQPRRHD-UHFFFAOYSA-N	405.558	3.571	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	763578392	KCVBXWYFKUPMJG-LJQANCHMSA-N	401.551	3.714	10	20	HHCD	
O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	765212096	XQOHCRRYIJKLAG-IEBWSBKVSA-N	410.297	3.940	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1	765350497	MALJUPAKRMIJGH-WMZHIEFXSA-N	408.590	3.501	10	20	HHCD	
C[C@@H](NC[C@@H](C)N1CCc2sccc2C1)c1ccc(N2CCOCC2)c(F)c1	765376801	PBWPNHJTKZRRPT-IAGOWNOFSA-N	403.567	3.821	10	20	HHCD	
COc1cc(O)c(CNC2(c3cccc(Br)c3)CCOCC2)cc1OC	768439018	DFEROSXZHFCOPY-UHFFFAOYSA-N	422.319	3.967	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1	769151704	BJUXETYLWIEJJF-HXUWFJFHSA-N	421.541	3.804	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2F)C[C@@H](C)O1	769384254	JXTAOYZESHUEDK-NUJGCVRESA-N	407.530	3.538	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc([C@H](C)CC4CCCC4)n3)CC2)cc1	771059251	YYICSNXWKIHONG-QGZVFWFLSA-N	412.534	3.653	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ncccc12	771288585	UEXBADIHAJOFBM-UHFFFAOYSA-N	424.476	3.665	10	20	HHCD	
C[C@@H](NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1	773088947	QNVXPLMHWMGTHR-CYBMUJFWSA-N	402.438	3.832	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/c1ccc(OC)c(O)c1	773337081	GUKXXOUQFHOZNO-WEVVVXLNSA-N	406.276	3.931	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](CN2CCOCC2)c2ccc(C)cc2)c1O	774834313	YVSGRFIQYMOPFV-NRFANRHFSA-N	402.922	3.720	10	20	HHCD	
CC[C@@H](NCc1ccc(OCC(N)=O)c(OC)c1)c1ccc(Cl)c(Cl)c1O	775498384	YVKRFAWAQQAQJE-CQSZACIVSA-N	413.301	3.813	10	20	HHCD	
CN1CCN(c2ccc(CN(CCO)Cc3ccc(Cl)c(Cl)c3)cc2)CC1	775727547	GQVHPKUVKYCTSA-UHFFFAOYSA-N	408.373	3.740	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H]1C1CCOCC1	777737125	LACUJVXRBFEJDM-FQEVSTJZSA-N	423.504	3.857	10	20	HHCD	
Cc1ccc(F)cc1C(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	781686876	ZBOIGCRWHZMWGY-HNNXBMFYSA-N	406.404	3.703	10	20	HHCD	
CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H](Cc1ccc(F)cc1)C(C)C	785439306	NRVWRIKNVHDZPB-JOCHJYFZSA-N	413.537	3.624	10	20	HHCD	
C[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1cc(Br)cc(F)c1O	786959569	FRMUBIHWPROMLN-MRVPVSSYSA-N	408.314	3.610	10	20	HHCD	
Cc1nn[nH]c1C(=O)O[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	791044574	MDICKGLCVDYJHN-CYBMUJFWSA-N	418.400	3.550	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@@H](C)O[C@@]4(CCOC4)C3)cc2Cl)C1	799994105	JNYHEYXWHLBKSG-YVHKJVDXSA-N	421.969	3.666	10	20	HHCD	
CCC1(CC)CCCN(C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1	804316600	DTMJFMPOCPLWBF-UHFFFAOYSA-N	415.578	3.599	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N(C)[C@@H](C)c3ccc(C)cc3C)CC2)cc1	804318205	CXNRJYNMUZTXGD-IBGZPJMESA-N	423.557	3.617	10	20	HHCD	
COCCCOc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC	806622185	DNJSGZMWEDPKSB-UHFFFAOYSA-N	405.470	3.637	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)C2CC2)cc1	807177911	FUDPBMXGNLUKTB-URXFXBBRSA-N	419.569	3.771	10	20	HHCD	
CCOc1ccc([C@@H](O)C2CCN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1	812482174	GZYWAKMURMFJTH-JOCHJYFZSA-N	416.474	3.961	10	20	HHCD	
CCc1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)ccc1O	813440867	VRFFLDCNBXOZQT-UHFFFAOYSA-N	403.482	3.699	10	20	HHCD	
CC[C@@]1(C)NC(=O)N(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1=O	813547027	LIAYGZANQKXAJT-OAQYLSRUSA-N	408.462	3.533	10	20	HHCD	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc1	814285999	USALLMYQGLGQNT-OBGWFSINSA-N	404.601	3.908	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(C1CCCC1)C1CC1)c2[N+](=O)[O-]	914573555	KXFKMTVDLFUQIP-UHFFFAOYSA-N	404.422	3.917	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1	915219998	YDZGXYONYQDBMM-UHFFFAOYSA-N	417.468	3.762	10	20	HHCD	
O=C(N[C@H](CN1CCCC1)c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916468611	CBXGNZRMIDMIAH-XZOQPEGZSA-N	423.557	3.920	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1	917085323	HYZFSDOMCDPNED-UHFFFAOYSA-N	402.564	3.715	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cc(C)oc2C)cs1	918195830	DTDRSRQFVLIFBI-UHFFFAOYSA-N	409.445	3.738	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)c(C)o1	918196224	OHACLJDVVKSXIC-UHFFFAOYSA-N	417.512	3.713	10	20	HHCD	
CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)s1	918740449	JUYRVOJUSKUNBC-NSHDSACASA-N	407.542	3.870	10	20	HHCD	
Cc1sc(NC(=O)[C@H]2CC(=O)N(C)C2)c(C(=O)OC(C)C)c1-c1ccccc1	1317825205	YQGSWRWCYVWRSK-HNNXBMFYSA-N	400.500	3.706	10	20	HHCD	
Cc1ccc(-c2noc(CN3CCN(Cc4ccc(N5CCCC5)cc4)CC3)n2)cc1	1319924355	GMHJEXOTUDWYPJ-UHFFFAOYSA-N	417.557	3.963	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1C	20928629	PLZOATXXKNWRBY-UHFFFAOYSA-N	400.482	3.911	10	20	HHCD	
Cc1ccc(F)c(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	303853474	LBHKYMLZNNSRER-IYBDPMFKSA-N	404.457	3.582	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)n(C)c2ccccc12	502992194	OZJTWDANILGXDP-FPOVZHCZSA-N	403.526	3.631	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CNc3cc(Cl)ccc3OC)CC2)cc1	727106088	YBXIPQGDKJGCNQ-UHFFFAOYSA-N	403.910	3.554	10	20	HHCD	
CCCN(CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)Cc1ccccc1O	727830953	XYTFCHYIEOZEOU-RTBURBONSA-N	411.546	3.857	10	20	HHCD	
CCCCCNC(=O)C1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1	728196822	VMURHNBKJBKWFC-UHFFFAOYSA-N	424.541	3.847	10	20	HHCD	
CCOc1cccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1	730132839	GWRSLQUAEPRPIM-UHFFFAOYSA-N	400.498	3.688	10	20	HHCD	
Cc1nc(CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)oc1-c1ccccc1	730173769	JQYVTPSULNGZPF-UHFFFAOYSA-N	423.488	3.875	10	20	HHCD	
CCc1nnc([C@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)o1	732312107	KATSFRMKVDCVSU-JTQLQIEISA-N	410.813	3.979	10	20	HHCD	
O=C(N[C@@H](C(=O)NCCCSc1nccs1)c1ccccc1)c1ccccc1	733880536	MSSPGDKWORZZNX-GOSISDBHSA-N	411.552	3.913	10	20	HHCD	
CCN1CCN(CCCCNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	733882940	ZHYLOJMYYDOOAS-UHFFFAOYSA-N	416.997	3.895	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1c(C)cc(Br)cc1C	734701828	KDNGMKVWHDKFCH-UHFFFAOYSA-N	418.335	3.695	10	20	HHCD	
CCn1ncc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc21	737189335	AHZLEPWKNORTEI-UHFFFAOYSA-N	419.529	3.547	10	20	HHCD	
C[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccs1	738785431	SCVANVBVELEOIO-CYBMUJFWSA-N	419.458	3.809	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(Br)ccc3OC)CC2)cc1	741554949	WIZGTMAESRKJKP-UHFFFAOYSA-N	419.319	3.865	10	20	HHCD	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	741670421	ASZLRSNAQRFAFC-UHFFFAOYSA-N	423.557	3.571	10	20	HHCD	
COCCN(CC(=O)N[C@H](C)c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	746475713	XAUIAKXSDJLRJS-OAHLLOKOSA-N	406.910	3.687	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1)C1CCCCC1	746756520	XPHWGSGLEXTIOV-HXUWFJFHSA-N	409.578	3.963	10	20	HHCD	
C[C@@H](Cc1ccncc1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	749579543	JGEBUIIFNAPJQC-RDJZCZTQSA-N	404.461	3.582	10	20	HHCD	
COC1CCC(N(C)CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1	749843704	DYMWCXWIXPPIJY-UHFFFAOYSA-N	412.530	3.937	10	20	HHCD	
Cc1ccc(CN(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)s1	751060613	MCOVXJJODIHZMI-UHFFFAOYSA-N	422.553	3.897	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)N[C@@H](c3ccccc3)C3CC3)cs2)cc1	751932324	YVHMQGQEDDDCGP-QFIPXVFZSA-N	421.522	3.740	10	20	HHCD	
CCC(C)(C)NC(=O)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)C	751938378	ZHKBTXLUOZNGIZ-SFHVURJKSA-N	403.548	3.802	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1	753637734	YAMODQZWLCKAEK-HNNXBMFYSA-N	403.438	3.905	10	20	HHCD	
C[C@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(Br)cc1O	756366128	FGGOKXRUCZZKPK-KXBFYZLASA-N	405.336	3.879	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	756612247	YQIBSIFWNJJERI-YVEFUNNKSA-N	421.400	3.748	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1c(C)noc1C	757010094	HYGOYAUPSDYWQJ-NJSLBKSFSA-N	418.513	3.995	10	20	HHCD	
COc1cc2c(cc1NC(=O)COC(=O)c1cccc(O)c1O)oc1ccccc12	758572730	MQPARVOQECJRAM-UHFFFAOYSA-N	407.378	3.801	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(-c3ccccc3)cnc2C)c1	760898497	UHGKCMPKCPCSKF-CQSZACIVSA-N	405.454	3.587	10	20	HHCD	
CCN(CC)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccsc1	761006689	WQZNRNXWNNKTOE-QGZVFWFLSA-N	421.950	3.954	10	20	HHCD	
COc1cc(Br)cc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)c1O	761226012	MDLDEXHWHBXKEW-SFHVURJKSA-N	406.320	3.936	10	20	HHCD	
O=C(CSc1ccc(O)cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761980395	BWNDNXSFWBXSFH-INIZCTEOSA-N	406.935	3.624	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3ccc(OC)cc3OC)CC2)cc1	764685437	VYAPZVHWNBGSPQ-IBGZPJMESA-N	413.562	3.575	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1	765119695	ZPXRBMNWAMJHPG-BBWFWOEESA-N	420.550	3.694	10	20	HHCD	
COc1ccc(N2CCC(NCc3cccc(CN4CCO[C@H](C)C4)c3)CC2)cc1	765322572	LPEFDGXFFHINJX-HXUWFJFHSA-N	409.574	3.675	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnc(-c4ccccc4)nc3C)CC2)cc1	765386551	SMOIWWKBGYTOSS-UHFFFAOYSA-N	402.498	3.859	10	20	HHCD	
Oc1c(Br)cccc1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1	768226879	PZKFLBDGUROSRO-OAHLLOKOSA-N	405.340	3.852	10	20	HHCD	
O=C(Cc1cnn(-c2ccccc2)c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771066203	PRUMHFKFXPCFCC-FQEVSTJZSA-N	424.932	3.555	10	20	HHCD	
COC(=O)Cn1ccc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)n1	772101129	WCFQUOAYPOCRHX-UHFFFAOYSA-N	406.446	3.790	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1O	775080888	NKQVVHMLWVMMEB-ZDUSSCGKSA-N	411.380	3.696	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1	775113083	FSNFYKAANBEECM-UHFFFAOYSA-N	415.537	3.626	10	20	HHCD	
C[C@@H](NC[C@H](O)c1ccccc1Br)c1ccc(N2CCOCC2)cc1	775259274	QPUQRRZDQAZHNN-QRWLVFNGSA-N	405.336	3.670	10	20	HHCD	
C[C@@H](NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)c1ccc(N(C)C)cc1	776404644	HUKVXGAFKBAQKX-GFCCVEGCSA-N	400.422	3.537	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1	777397280	IKGQVLOWRMOCPF-DFQSSKMNSA-N	414.527	3.562	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnc(C(F)(F)F)nc2)cc1	777645145	TVODGTTXNFRKHL-UHFFFAOYSA-N	406.330	3.766	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC(O)(c2c(F)cccc2F)CC1	779631620	SVDUEALRTAMJTB-UHFFFAOYSA-N	413.515	3.597	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)Cn3cnc4cnccc4c3=O)c2C)c1	780810962	VTDKHHZVAPVNED-UHFFFAOYSA-N	404.495	3.804	10	20	HHCD	
CN(C)CCOc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccn1	781417184	UHNFXHJHEOTLFU-UHFFFAOYSA-N	422.529	3.524	10	20	HHCD	
CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1	781609795	VZZXPRMQCGLJQG-IDVKNYFZSA-N	406.542	3.897	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccc3c(c2)NC(=O)C3)cc1	783884337	OFNUIQSANJGJNY-UHFFFAOYSA-N	403.482	3.612	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1O	784522467	HHGNZSTUMICIET-ZOCIIQOWSA-N	406.498	3.859	10	20	HHCD	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785425327	NTFGIJBJICZGHS-CYBMUJFWSA-N	408.329	3.895	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)C)ccc21	788248158	ORCXTKZQSPTCQQ-NRFANRHFSA-N	411.521	3.728	10	20	HHCD	
Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nnn1CC1CCCC1	790945694	IOEZGSRMBPPRQK-UHFFFAOYSA-N	401.474	3.739	10	20	HHCD	
C[C@H](NCCn1cc(Br)cn1)c1cc(Br)cc(F)c1O	797099605	MBFRSNHOIZGGHT-QMMMGPOBSA-N	407.081	3.604	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(C(F)(F)F)cc(Cl)n1	798152794	CZPSVZGHQUFKKZ-UHFFFAOYSA-N	413.827	3.863	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](CO)CC(F)(F)F)cc2Cl)C1	799993789	FXLBWEXJACVJBH-OCCSQVGLSA-N	407.864	3.689	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	800572053	TYOLYCYJTKOOSH-SNVBAGLBSA-N	402.344	3.931	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)NCC1(c2ccc(Cl)cc2)CCC1	804342800	QMJXPKVFMOEIHF-UHFFFAOYSA-N	423.991	3.633	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ncsc3C(C)C)CC2)cc(OC)c1OC	808915062	FLEUSDIUJLKXMR-UHFFFAOYSA-N	420.535	3.646	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1	812010417	XIOOVPGEWPJPRY-IYBDPMFKSA-N	417.447	3.925	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccnc3c2ncn3C)cc1	813449457	ZNWWOOXTYXSNJD-UHFFFAOYSA-N	415.497	3.890	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cc(C)n(-c3nccs3)c2C)SC1=S	814268338	SVHPAAKWBGVPMC-GXDHUFHOSA-N	421.569	3.705	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ncccc2Cl)NC(=O)OC(C)(C)C)cc1	815710628	RBIJOCYOBRRBRA-KRWDZBQOSA-N	418.925	3.797	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/CN(C)CC(F)(F)F	815797597	WXKAFYSSWCFBQV-SNAWJCMRSA-N	409.246	3.554	10	20	HHCD	
COCC1(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CCOCC1	817226203	FXQPINGKXVQCND-UHFFFAOYSA-N	421.335	3.782	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCC3CCN(CC(F)F)CC3)c2C)cc1	819926758	RVHQYAFUPQQBCS-UHFFFAOYSA-N	405.489	3.810	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C2=NN(C)C(=O)CC2)sc(C)c1-c1ccc(F)cc1	830159633	GXSKHHUAYZJTSA-UHFFFAOYSA-N	417.462	3.586	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	915303500	FEKMOXDRBRAOMT-FQEVSTJZSA-N	407.474	3.957	10	20	HHCD	
C[C@H]1CCc2sc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2C1	917832388	XACATVZVJFYXJP-DOTOQJQBSA-N	411.571	3.505	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCc2sccc2C1	918071361	XDMKDOJMDNVXLL-KRWDZBQOSA-N	412.603	3.935	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cc4ccc(C(C)C)cc4[nH]3)nc12	919078874	SMAMFHSMFPGBHX-UHFFFAOYSA-N	422.441	3.573	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OCC(F)(F)F)cc1	919969263	SUYZUIBTGFMXBX-UHFFFAOYSA-N	422.447	3.766	10	20	HHCD	
O=C1/C(=C\c2c[nH]nc2-c2ccc3c(c2)OCO3)SC(=S)N1c1cccnc1	920242140	XEJKVJKYOJVMDW-FRKPEAEDSA-N	408.464	3.606	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2Cc3ccccc3C3(CCC3)C2)c1	1345410923	GVCVJSVCHQQALI-UHFFFAOYSA-N	420.553	3.865	10	20	HHCD	
O=C(CSc1ccc(F)c(F)c1)NCc1ccc(N2CCC(CO)CC2)cc1	302975073	ISHCCYOLPBHONV-UHFFFAOYSA-N	406.498	3.582	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](Cc3ccccc3)N(C)C)ccc21	484917570	OUQQGXXNFOEUMW-QFIPXVFZSA-N	407.558	3.807	10	20	HHCD	
COC(=O)CCSc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1	541105692	DPRMVMQGHRZZLY-UHFFFAOYSA-N	415.515	3.839	10	20	HHCD	
COc1cccc(O)c1CNCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1	725845904	OQWLSFIKBFLKCU-UHFFFAOYSA-N	422.504	3.551	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1	726727049	ZJDPBXCYIJWTFH-UHFFFAOYSA-N	422.312	3.726	10	20	HHCD	
CCCN1CCC(N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	727227398	NZJDLCJUOAXUAW-UHFFFAOYSA-N	424.536	3.773	10	20	HHCD	
COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cc(O)cc(Br)c1O)N2	730273441	RLMNRUODFNFINP-KRWDZBQOSA-N	405.248	3.598	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1	734017604	QANSOZBTZLSEJQ-XMMPIXPASA-N	420.509	3.554	10	20	HHCD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	734423524	POLZHDFMVBPCSK-JOCHJYFZSA-N	420.619	3.780	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C	734675190	GUIYLXBSEDOCRO-FQEVSTJZSA-N	404.505	3.865	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1	740919726	JYWVZAKQOTZKDM-NRFANRHFSA-N	405.477	3.524	10	20	HHCD	
Cc1c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1ccc(Cl)cc1	742271299	GCOSNXMOOWBIPG-UHFFFAOYSA-N	418.950	3.721	10	20	HHCD	
O=S(=O)(CC1CCCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742333982	BXGFPDDDWFXKEN-MRXNPFEDSA-N	402.507	3.757	10	20	HHCD	
CCCOc1ccc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	742689054	CQJRAMJTZUFNJM-UHFFFAOYSA-N	410.558	3.933	10	20	HHCD	
CC(C)c1ncc(Cl)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	743633097	VEWXHLUQUIEXIK-KBPBESRZSA-N	420.916	3.936	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1F	743665322	JUJCIVGBONJLBN-FUHWJXTLSA-N	422.545	3.774	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)COc1cccc(C(C)=O)c1	743809615	ZZGCPRHUDXSCCF-UHFFFAOYSA-N	406.276	3.785	10	20	HHCD	
Cc1ccc([C@H](C)C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1	745661756	BULXQBOVQXSNBU-AWEZNQCLSA-N	417.417	3.649	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1O	745812960	GCQIPQIROIYWFD-KRWDZBQOSA-N	421.900	3.657	10	20	HHCD	
C[C@@H](NC(=O)NCC[C@@H](C)N(C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1	746758884	ZJPXDAQZQBXVKX-NHCUHLMSSA-N	424.589	3.794	10	20	HHCD	
CC(C)(C)c1nc2cc(NC(=O)C(=O)NCCCSc3nccs3)ccc2o1	749730057	HUPSWLFMRDAJFA-UHFFFAOYSA-N	418.544	3.819	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](OCCCc2ccccc2)C1	752016422	TYRAYGYVLNTRPM-XMMPIXPASA-N	405.542	3.996	10	20	HHCD	
CO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1	752845795	SRADIGSXHZWURL-CTNGQTDRSA-N	421.545	3.614	10	20	HHCD	
CCc1c(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cnn1-c1ccccc1	753738975	OBBBVSYVZACLJX-UHFFFAOYSA-N	408.477	3.545	10	20	HHCD	
COc1cc(CN2CCN(C(=O)c3ccccc3OC)CC2)c(O)c(C(C)(C)C)c1	754725793	FVNBJTUSYQJNRX-UHFFFAOYSA-N	412.530	3.665	10	20	HHCD	
C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)c(F)cc1O	756355730	RVAKLRRKTQDBLJ-ZBFHGGJFSA-N	423.326	3.845	10	20	HHCD	
C[C@@H](Cn1cccn1)N[C@H](C)c1cc(Br)cc(Br)c1O	756673303	YLSZBBGCWUGFQL-VHSXEESVSA-N	403.118	3.853	10	20	HHCD	
C[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1cc(Br)ccc1O	756850543	JUVQVKCRNXQKQP-UGSOOPFHSA-N	418.335	3.778	10	20	HHCD	
Cc1cc(CC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c(C)n1-c1ccc(Cl)cc1	757001408	WAUCWGXMULSMJX-SFTDATJTSA-N	402.922	3.696	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3C[C@H](C)O[C@@H](c4ccsc4)C3)CC2)cc1	760162913	CRDHSLUZIWXBEY-HRAATJIYSA-N	415.559	3.897	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](CO)c2ccc(OC)cc2)cc1F	764400895	MPXLFBKNYJJXFN-NRFANRHFSA-N	403.498	3.556	10	20	HHCD	
C[C@@H](NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	765505033	YMPLQDXXTVBESK-FOIQADDNSA-N	410.436	3.806	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccc(Cl)c(Cl)c1	765931129	NYUYKFZEIKPFDW-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
C[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(N2CCCCC2)cc1	766560338	QBRCQTGKRXAGFK-OAHLLOKOSA-N	419.513	3.642	10	20	HHCD	
Cc1cc(F)ccc1-n1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)nn1	767712172	ORZVOGORXHKABF-UHFFFAOYSA-N	406.417	3.856	10	20	HHCD	
COc1ccc([C@H](CNCc2ccc(N3CCN(C)CC3)cc2)N2CCCCC2)cc1	771823396	NRVOMTGGTMXJKC-SANMLTNESA-N	422.617	3.764	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(N(C)C)cc1	773213119	HBRBVCDMPRDNKU-KRWDZBQOSA-N	417.513	3.960	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(SC)cc2OC)cc1F	773240326	CFSNZWSHDZSAKH-UHFFFAOYSA-N	419.522	3.657	10	20	HHCD	
CCNC(=O)COc1cccc(CN[C@@H](CC)c2cc(Br)ccc2O)c1	775490915	FDBAWURJKVSAEK-SFHVURJKSA-N	421.335	3.911	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1OC	775667007	CKFCEGLEZZIWTB-OAHLLOKOSA-N	417.481	3.582	10	20	HHCD	
COc1ccc(CCc2nnc(NCc3cccc(Br)c3O)o2)cc1	777515223	BMDMSPJECAIKJR-UHFFFAOYSA-N	404.264	3.944	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCc1ccc(Cl)cn1)c2[N+](=O)[O-]	778076760	ACUKOVLQXBDAOX-UHFFFAOYSA-N	422.780	3.776	10	20	HHCD	
Cn1nc(Br)cc1/C=C1/SC(=S)N(CCc2ccccc2)C1=O	778243669	CLBMPHQSHSDCDK-UKTHLTGXSA-N	408.346	3.627	10	20	HHCD	
Cc1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c(O)c1O	780994142	BIEFSPBZYKKKLR-RUZDIDTESA-N	403.478	3.883	10	20	HHCD	
Cc1noc(C2(C)CCN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)n1	781375973	ORVZRMYQLYIEHF-UHFFFAOYSA-N	411.550	3.878	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cn(-c4ccccc4)nc3C)CC2)cc1	781467254	QUEWFAYUJRQCSX-UHFFFAOYSA-N	405.502	3.934	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC1	783503090	GKTUFPJCJQFSOS-OAQYLSRUSA-N	417.594	3.775	10	20	HHCD	
CN1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	785025890	COSBBLPKYNTRHZ-DYESRHJHSA-N	405.502	3.983	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C3CCOCC3)C[C@@H]2C)c(C)n1-c1cccc(F)c1	785972637	AXMGBPYUSHGFOX-SFHVURJKSA-N	413.537	3.601	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21	788931245	CKJIDJIFFUIXAD-XMMPIXPASA-N	417.553	3.972	10	20	HHCD	
Cc1cc(-n2cccn2)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	789337862	ZVLWLKFMYNISOP-UHFFFAOYSA-N	405.502	3.681	10	20	HHCD	
CC(C)(C)[C@@H]1CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1	790702098	PBHFAYHAROWCCM-SFHVURJKSA-N	411.493	3.713	10	20	HHCD	
COc1cccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1O	790787625	JXCJZPTUKJLKCV-SCLBCKFNSA-N	423.296	3.543	10	20	HHCD	
Cc1cc(C(=O)CN2CCn3cnnc3[C@@H]2C)c(C)n1-c1cccc(C(F)(F)F)c1	792374625	BAAGTDIJUAUBIY-HNNXBMFYSA-N	417.435	3.964	10	20	HHCD	
C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F	792773209	QOQREDVYYTZVOS-ZDUSSCGKSA-N	415.481	3.612	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)c1O	792981714	JAXPSWKIJRKXAV-UHFFFAOYSA-N	410.857	3.976	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc3c1CCO3)c2[N+](=O)[O-]	797353085	SLJMCEYQDQGNRJ-UHFFFAOYSA-N	414.373	3.557	10	20	HHCD	
O=C(c1ccccc1F)c1cc(Cl)ccc1N[C@@H]1CCN(C2CCOCC2)C1=O	799967744	MPNOGBFZDSPJLS-HXUWFJFHSA-N	416.880	3.902	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)c1	806792442	NNJGPLPXUQGLFL-JTQLQIEISA-N	407.348	3.961	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCCCC[C@H]1c1ccccc1	807288195	RNWIKBNZUIFLQI-QHCPKHFHSA-N	403.526	3.823	10	20	HHCD	
COc1ccc(/C=C2/N=C(SCC(=O)C(C)=O)N(c3cc(C)cc(C)c3)C2=O)cc1	808012941	ZLLGKFUYPNEOPI-UDWIEESQSA-N	422.506	3.947	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(-n3c(O)nnc3O)cc2)c1C	808117763	YZCOLRRRLMARLF-UHFFFAOYSA-N	403.442	3.647	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)c1ccc(N(C)C)cc1	808833307	ZYEFTZBEOHWAOQ-CQSZACIVSA-N	406.486	3.641	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCCNCc1ccc(OCc2ccccc2)cc1O	809706014	IFDSEMLTDHACPS-UHFFFAOYSA-N	416.477	3.747	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1OC	809751763	JOYXNHGHNRMOMH-INIZCTEOSA-N	400.523	3.955	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(C)n1-c1ccccc1	810071760	MEPRHESIPXOBIJ-QGZVFWFLSA-N	421.463	3.667	10	20	HHCD	
CSCc1cccnc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	810167634	MUHIPQAXUKZZPU-HUUCEWRRSA-N	403.523	3.627	10	20	HHCD	
COCc1cc(=NCc2ccc(N3CCC(CO)CC3)cc2)c2cc(F)ccc2[nH]1	811735474	BFYYRLCGDFTWGD-UHFFFAOYSA-N	409.505	3.763	10	20	HHCD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NCc1cccc(Br)c1O	816496550	OBEITGWDHDNGQB-GFCCVEGCSA-N	400.276	3.593	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCCC1CCOCC1	819518858	IFYJFPZGVYIOPG-UHFFFAOYSA-N	404.551	3.972	10	20	HHCD	
COc1ccc(NC(=N)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1OC	849069932	WDNSZNKKVGLVKL-GJZGRUSLSA-N	416.497	3.593	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3nc(C)c(C)s3)sc2n1	856689648	VPXWJYKYHUNHKM-JTQLQIEISA-N	404.517	3.753	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3c(C(C)=O)oc4ccccc34)CC2)cc1	856896058	QIDHPIDDFKDDBC-INIZCTEOSA-N	421.497	3.793	10	20	HHCD	
CNC(=O)c1ccc(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	913778968	YSVGBYNHJCCHCR-UHFFFAOYSA-N	409.917	3.966	10	20	HHCD	
CCN(CC)C(=O)N1CCC(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1	915261686	DBZLMVMCAPESSZ-UHFFFAOYSA-N	424.589	3.927	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)C(=O)OC)sc(C)c1-c1ccc(F)cc1	915834869	UVXPTORRBZNUHU-UHFFFAOYSA-N	408.451	3.676	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3Cc4ccccc4S3)cc2F)C[C@@H](C)O1	917714700	NPWLJDBYJJVWFE-ZSDSOXJFSA-N	400.519	3.773	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(C3CC3)nc3c2c(O)nn3C)cc1	917954603	RBAJVYJECSGKNT-UHFFFAOYSA-N	407.518	3.670	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1	918229245	ZNBBXEZRRYUWFC-LJQANCHMSA-N	414.594	3.713	10	20	HHCD	
CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	920880440	JBDOCVVIKZCONA-HNNXBMFYSA-N	414.575	3.958	10	20	HHCD	
CC(C)(C)C1=S=C(c2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)C=C1	1118418198	PTUJTRDHAXHFTL-UHFFFAOYSA-N	417.556	3.563	10	20	HHCD	
Cc1ccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1C	1322788261	RKTGGJJVTPVZJT-WJDWOHSUSA-N	419.597	3.693	10	20	HHCD	
CC(C)N(CCc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	1338575408	QNBAMXUOQQUSFD-UHFFFAOYSA-N	413.537	3.950	10	20	HHCD	
CC1(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc(O)c(O)c4O)cc3)CCC2)CC1	1792298218	PJWZEMCIOOQKPX-ONNFQVAWSA-N	422.481	3.751	10	20	HHCD	
CC1=CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1800717897	AWKQYPWXWNJJSN-MXASKKJJSA-N	418.921	3.749	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2cccc(S(C)(=O)=O)c2)Cc2ccccc2)cc1	10395266	LNSDOWKYRMJRPR-UHFFFAOYSA-N	424.522	3.744	10	20	HHCD	
C[C@@H](Sc1nnc(C2CC2)[nH]1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	11472856	GBCRRJONGCGQPL-LLVKDONJSA-N	418.478	3.577	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2ccsc2)c(C)n1-c1ccc2c(c1)OCCO2	23514703	YARCPEDEKITMMY-UHFFFAOYSA-N	411.479	3.895	10	20	HHCD	
O=S(=O)(Nc1cccc(COCc2ccco2)c1)c1cccc2nsnc12	55633116	MBFLWVQMEPDGEA-UHFFFAOYSA-N	401.469	3.802	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1	108702918	LFWBNMVDWQPPAN-QHCPKHFHSA-N	416.525	3.796	10	20	HHCD	
C[C@@H](NC(=O)c1ccnc(OCc2ccccc2)c1)c1ccc(N2CCOCC2)cc1	109190592	VXCQRRKBCSHLTC-LJQANCHMSA-N	417.509	3.988	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Cc2ccccc2)ccc1O	110079866	BVHBDVYKPNMSSG-UHFFFAOYSA-N	402.494	3.750	10	20	HHCD	
Cc1cc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1	110443374	KTTVONKQNITQPB-NRFANRHFSA-N	424.589	3.535	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccncc3)cc2F)C[C@@H](C)O1	117644036	DGMMGFHJSMBHIW-LLGFUMIMSA-N	412.509	3.881	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)NCc3ccc(N4CCSCC4)cc3)c2C)no1	195585803	BEZWRQXDXQFAMR-UHFFFAOYSA-N	410.543	3.874	10	20	HHCD	
COc1ccc(NC(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl	302833539	OHMHBRKSPSOEIV-QGZVFWFLSA-N	404.894	3.674	10	20	HHCD	
COC(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1	303272887	RQXUWKIGGNBBSU-UHFFFAOYSA-N	408.502	3.649	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1	303288719	AIWKNFZSWOUULB-WOJBJXKFSA-N	416.610	3.610	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H](c2ccc(F)cc2)c2ccn(C)n2)n(C)c2ccccc12	472134609	MPYKKUBFDOXVKF-QFIPXVFZSA-N	405.477	3.948	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@](C)(CO)Cc3ccccc3)ccc21	481092659	MHKZDJIXHUUBRJ-VWLOTQADSA-N	408.542	3.876	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C4=NNC(=O)CC4)cc3)ccc21	485334334	LPSZWTBILOGHLU-UHFFFAOYSA-N	418.497	3.771	10	20	HHCD	
Cc1ccccc1-c1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n(CCO)n1	727383888	IHFHWPKTBUJDSW-UHFFFAOYSA-N	415.497	3.906	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)c2C)cc1	729847671	QASXLBSFJYLBAL-UHFFFAOYSA-N	419.460	3.957	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731016077	DJILMFWDDOYQEI-QZMAKXCISA-N	415.603	3.797	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1	731345911	LKWRYBFMCZWZDS-MPCIYJAUSA-N	407.555	3.546	10	20	HHCD	
COC(=O)[C@H](CNC(=O)c1sccc1-n1c(C)ccc1C)Cc1ccc(O)cc1	733151468	YIZPOPUYAILJOG-KRWDZBQOSA-N	412.511	3.623	10	20	HHCD	
O=C(CC1CCCCC1)NCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	733332189	RDCDOJOOIZBGII-UHFFFAOYSA-N	402.539	3.761	10	20	HHCD	
C[C@](O)(CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1F	734004137	PUXVLKZUQFDVGS-NRFANRHFSA-N	405.445	3.861	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1	734319740	MMUMGMFWASCFBC-VWNXMTODSA-N	423.557	3.767	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(C(F)(F)F)c1	734702718	CKPPIJRYYIXJGC-UHFFFAOYSA-N	423.435	3.733	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Oc3c(OC)cccc3C(=O)OC)ccc21	736475833	LAJWYLCJSLGYLO-UHFFFAOYSA-N	411.454	3.919	10	20	HHCD	
Cc1ccc(CN2C[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)CC2=O)cc1	742483086	GWEIRMSZEJJQGY-QFIPXVFZSA-N	405.542	3.650	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Br)cs1	742807613	LXRYQGOQNXOVNK-UHFFFAOYSA-N	413.312	3.541	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1	743414592	RUHPOBBVXISLOU-UHFFFAOYSA-N	424.545	3.893	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@H](COCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	743565383	WATMXSBQFQDELL-IRLDBZIGSA-N	423.557	3.833	10	20	HHCD	
O=C(NCCCOc1ccc(F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	746971407	YNLOPOOREGMOBS-FQEVSTJZSA-N	402.466	3.691	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccccc3N3CCCCCC3)ccc21	747016918	HYDZIHWVIGPTPJ-UHFFFAOYSA-N	420.557	3.704	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3C)SC2=S)cn1	751290914	KLOOIHUQJNTPGJ-SXGWCWSVSA-N	402.497	3.822	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(CN2CCCC2=O)cc1	751303037	SUCMEHQZTSFBQK-UHFFFAOYSA-N	411.465	3.771	10	20	HHCD	
O=C(NCCn1c(O)nc2ccccc21)N(Cc1ccccc1O)C1CCCCC1	753036896	GAMXFSAVPONPQN-UHFFFAOYSA-N	408.502	3.992	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)[C@@H]3CCNC(=O)C3)n2)c(C)n1-c1ccc(F)cc1	754256163	QHTLJZHWZAOBCT-CQSZACIVSA-N	412.490	3.821	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(-c3ncco3)c2)C2CC2)cc1	754488831	KJENATYPGWEUOU-UHFFFAOYSA-N	404.470	3.537	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O	757676684	VSNRKEIBPYBTMZ-CQSZACIVSA-N	400.456	3.578	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	759592031	VVENHRCDMOEQRJ-OAHLLOKOSA-N	405.545	3.943	10	20	HHCD	
Cc1cc(NC(=O)[C@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)ccc1Br	759594919	OMRRCBPELDBMAC-LDJOOVGUSA-N	420.259	3.752	10	20	HHCD	
CC[C@@H](Cc1ccccc1Br)NC(=O)NCc1cc(OC)ccc1O	760172369	ZEGRPVUCDVDJMH-HNNXBMFYSA-N	407.308	3.984	10	20	HHCD	
CC[C@@H](C)n1ncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C1CC1	760383260	YWQIKMVJWONZKA-OAHLLOKOSA-N	414.525	3.762	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CCCCNC(=O)OCc3ccccc3)ccc21	760475548	YFMNBPLCACIYTD-UHFFFAOYSA-N	409.530	3.782	10	20	HHCD	
C[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Oc1cccc(Cl)c1	761567677	AWCCOVHEQHLJIV-LBPRGKRZSA-N	409.269	3.931	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCN(c2ccccc2F)C1	761679195	VKBDMYMTLHAXBV-INIZCTEOSA-N	417.868	3.618	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2OCC(F)F)cc1F	762442348	ZZSYYVORHUWJCR-UHFFFAOYSA-N	423.435	3.571	10	20	HHCD	
C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765278758	BHVOJELCGDNNMM-KOSHJBKYSA-N	417.532	3.965	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCO[C@@H](c2ccccc2)C1	765327311	UQUPEYMRCYBYPO-ISKFKSNPSA-N	423.557	3.615	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c(C)n1-c1ccccc1	766946936	HKZMUAMYNCHBRT-FYYLOGMGSA-N	406.530	3.598	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cn(-c2ccc(F)cc2Cl)nn1	768208581	URGVGXZKLWOBQY-UHFFFAOYSA-N	415.900	3.528	10	20	HHCD	
C[C@H](NCc1nc(COc2ccccc2)n[nH]1)c1ccc(Br)cc1O	769989630	VTVSDAAULXPQAM-LBPRGKRZSA-N	403.280	3.703	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O	771815733	RVBFAPYANSBFCX-GCKMJXCFSA-N	410.514	3.578	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(OCc4noc(C5CC5)n4)cc3)cc2)CC1	771854486	OLWOAXQRYOVRAB-UHFFFAOYSA-N	419.529	3.890	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1	774923334	JVTPJTWFPATLCA-KBPBESRZSA-N	407.436	3.826	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc4c(c3)N(C)CC4)cc2F)C[C@@H](C)O1	776033186	FUUNGBHLWLYNMR-IYBDPMFKSA-N	412.509	3.753	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1COC2(CCCCC2)O1	776063502	DFYSDBWWQGVMMC-NRFANRHFSA-N	401.551	3.894	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)C(C)(Cl)Cl)NC(=O)OC(C)(C)C)cc1	777407293	NCWGKEZMICHTOB-CQSZACIVSA-N	404.338	3.628	10	20	HHCD	
COc1ccc(O)c(CN[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1	777441167	ZEHJPTXMRJWZKD-GOSISDBHSA-N	408.420	3.700	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CN[C@H](C)c2cc(Br)cc(C)c2O)c1	779003379	OSTRHQXXCPJTQI-PXAZEXFGSA-N	410.308	3.865	10	20	HHCD	
C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCCC2)cc1	783224276	PWOQRMPTLAVIFC-NQIIRXRSSA-N	403.567	3.791	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccccc2)c1O	785989641	WJDDFQBSGGUXQK-UHFFFAOYSA-N	410.857	3.976	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCc3c(F)cccc3Cl)cc2)CC1	786912653	NMABWOQIMXQPDJ-UHFFFAOYSA-N	417.912	3.648	10	20	HHCD	
COc1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(OCC2CC2)c1	788226336	ISAYRCYJTZXGTF-UHFFFAOYSA-N	414.477	3.594	10	20	HHCD	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788913235	VZVYOAWNSYNLDQ-QGZVFWFLSA-N	405.498	3.869	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC(c4ncc5n4CCCC5)CC3)ccc21	788928454	JNQNKAUXRRCROO-UHFFFAOYSA-N	407.562	3.691	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2nccnc2cc1F	792238650	UYWRMKHEKULIQM-HNNXBMFYSA-N	414.868	3.522	10	20	HHCD	
CCc1onc(-c2ccccc2)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	795928552	FCZXQNWPVZSAGQ-UHFFFAOYSA-N	421.497	3.785	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cnn(-c4ccccc4OC)c3C)CC2)cc1	798403082	KJTMVVWGHZLXOD-UHFFFAOYSA-N	420.513	3.550	10	20	HHCD	
CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1Br	798925392	ALGLXMLOZHVARB-UHFFFAOYSA-N	417.347	3.880	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1nccn1-c1ccccc1	806066079	QCTYWXSWGGKLTG-CYBMUJFWSA-N	415.291	3.901	10	20	HHCD	
COc1cc(Br)cc(CN2CCn3c(C4CCCC4)nnc3[C@H]2C)c1O	809770090	YDKQFRUXEMVKSM-GFCCVEGCSA-N	421.339	3.989	10	20	HHCD	
CC[C@@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(C(F)(F)F)cc1O	810215276	BLAPEURQONJJMT-UZLBHIALSA-N	421.419	3.707	10	20	HHCD	
CCn1c(Cc2ccccc2F)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812024629	YIAICFAQXUCXJQ-UHFFFAOYSA-N	409.509	3.753	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCC(C3CC3)CC2)c([N+](=O)[O-])c1Br	813618054	JSAZZRBXEXBHLE-UHFFFAOYSA-N	400.229	3.901	10	20	HHCD	
CC[C@@H](Nc1ccc(N2CCN(C(=O)OC)CC2)nc1)c1cc(Cl)ccc1O	815654943	DSXYDETWYHGJRC-QGZVFWFLSA-N	404.898	3.892	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3cc4ccccc4n(C)c3=O)c2C)cc1	816981762	ZNVCVXAHCYYRRU-UHFFFAOYSA-N	415.493	3.885	10	20	HHCD	
CC(C)Cn1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C(F)F)n1	857458166	QKQOPDMBUFUILI-UHFFFAOYSA-N	424.467	3.507	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1	914455300	UHRJFTHIOXAOIJ-IBGZPJMESA-N	409.530	3.666	10	20	HHCD	
O=C(CN1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1)N1CCCC1	915304639	ZLIFBLUFQIDBKD-UHFFFAOYSA-N	420.517	3.874	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	915878288	WDIMKRLJPAVMBP-UHFFFAOYSA-N	423.435	3.550	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCCN(Cc2ccc(F)cc2)CC1	916587911	LWMYDMSRVQAVFS-UHFFFAOYSA-N	410.537	3.843	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(Cc2ccsc2)CC1	917192292	IXFKUJNNJAGIRR-UHFFFAOYSA-N	412.584	3.585	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)s1	917847850	SDFLHSXCAWJYNK-UHFFFAOYSA-N	416.452	3.737	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCOc4ccccc4C3)cc2F)C[C@@H](C)O1	918080992	JMSLKASRIAEBMP-IAGOWNOFSA-N	413.493	3.544	10	20	HHCD	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2cc(C)oc2C)cs1	918196604	YPMXKBUGQFVOLX-UHFFFAOYSA-N	421.500	3.788	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	920867074	MXYQPKSGODERFP-OAHLLOKOSA-N	423.435	3.982	10	20	HHCD	
C[C@H](NC(=O)NCc1ccnc(OC2CCCC2)c1)c1ccc(N2CCOCC2)cc1	920872247	QJSGXAASJUKGRE-SFHVURJKSA-N	424.545	3.800	10	20	HHCD	
CC1(C)NC(=O)N(CCCNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1=O	1123264749	UQHJAYGSIRYAHI-UHFFFAOYSA-N	408.462	3.944	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)[nH]c2c1C(=O)CCC2	57512498	ZDVHUTHFOWTPHQ-IBGZPJMESA-N	409.530	3.730	10	20	HHCD	
O=C(CCCc1nc(O)c2ccccc2n1)N(Cc1ccccc1O)C[C@H]1CCCO1	253614578	QVXOXADMSXITSY-GOSISDBHSA-N	421.497	3.572	10	20	HHCD	
Cc1c(CNC(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)n(C)c2ccccc12	472218811	FEWQJQWBJNIYQO-HNNXBMFYSA-N	419.447	3.554	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N2CC3(CCC3)c3c(F)cccc32)C2CC2)cc1	726290300	PSYUCZRCXDFPFN-UHFFFAOYSA-N	421.516	3.851	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(-c2ccco2)on1	726565868	MBCUUBPKVWZSNP-UHFFFAOYSA-N	403.385	3.935	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cn(-c3ccccc3)nn2)cc1	728837703	XHVIMCVZIBOVTQ-UHFFFAOYSA-N	403.408	3.538	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3c(F)cccc3F)cc2F)CC1	730121361	NWDCVVLGDLFTRR-OAHLLOKOSA-N	420.479	3.806	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC(OC(C)C)CC3)c2C)cc1	730571645	YSDQWHKJSNWFHU-UHFFFAOYSA-N	412.530	3.953	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCCN3C(=O)NCc4ccccc43)ccc21	730934324	LSUUNVQESCWFAX-UHFFFAOYSA-N	421.497	3.791	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CSCN3C(=O)OC(C)(C)C)cc2)CC1	731014581	AZVHYZGKPKFFGJ-LJQANCHMSA-N	419.591	3.849	10	20	HHCD	
O=C(c1ccc(OCC(F)(F)F)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	731859113	RSERRFIRTVBCRR-INIZCTEOSA-N	410.392	3.550	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCNC(=O)OC(C)(C)C	733872062	XRYQRDYSQUCRPA-UHFFFAOYSA-N	405.520	3.958	10	20	HHCD	
CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	735930463	LCMKFMCMZMERGJ-OAQYLSRUSA-N	419.525	3.776	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(O)nc2)c(C)n1-c1ccccc1Br	736175064	VBGVITQLXJGJJJ-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
Cc1cc(C(=O)OCCn2cnc3ccsc3c2=O)c(C)n1-c1ccc(F)cc1	739347894	DPFNSEJOEDDROH-UHFFFAOYSA-N	411.458	3.862	10	20	HHCD	
O=S(=O)(CCN(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)cc1	742101979	DFPRZWWMDBTAKE-GOSISDBHSA-N	409.935	3.501	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ccn2)NC(=O)OC(C)(C)C)cc1	742752792	HEENPSXUJCCOQE-SFHVURJKSA-N	418.925	3.797	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)COC2CCCCC2)NC(=O)OC(C)(C)C)cc1	742753976	MYZJFKFHUNYLCN-FQEVSTJZSA-N	419.566	3.784	10	20	HHCD	
CCC[C@]1(C)CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	745691283	IURIFKRTYMKLGW-AUSIDOKSSA-N	400.567	3.500	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3coc4cc(F)ccc34)cc2F)CC1	748310557	YWYBBEMHEGTZMY-UHFFFAOYSA-N	413.468	3.712	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1	750647979	QRRAGYQASACEGN-UHFFFAOYSA-N	413.525	3.928	10	20	HHCD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751302219	LWXPICJSVQEDOX-UHFFFAOYSA-N	415.482	3.814	10	20	HHCD	
COC(=O)COc1ccccc1[C@H](C)NCc1ccc(N2CCSCC2)cc1	753618575	FKKOAGLWQRRRMJ-KRWDZBQOSA-N	400.544	3.642	10	20	HHCD	
COc1ccc(COCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	754549339	XMETUUHSJHJOFR-UHFFFAOYSA-N	401.418	3.626	10	20	HHCD	
Cc1ccc(C(=O)NCCN[C@H](C)c2cc(Br)c(F)cc2O)cc1F	756394408	CYSHCESYWIQBDI-LLVKDONJSA-N	413.262	3.822	10	20	HHCD	
C[C@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(Br)cc1O	756431549	NMGIWOHWDVNZCT-HNNXBMFYSA-N	405.336	3.838	10	20	HHCD	
CC(C)CC(=O)N1CCC(N[C@@H](C)c2cc(Br)cc(F)c2O)CC1	756490745	RTJPWZJBEILBCE-LBPRGKRZSA-N	401.320	3.982	10	20	HHCD	
COc1ccc(N[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)cc1OCC(=O)NC1CC1	756806240	YCFDQNNMZUZXQG-WBMJQRKESA-N	400.450	3.858	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@H]3CCCCC3(C)C)CC2)cc(OC)c1OC	759221761	FZAAHIDHFSTOAP-QGZVFWFLSA-N	404.551	3.968	10	20	HHCD	
COc1ccccc1[C@H](CNC(=O)NCCCSc1nccs1)N1CCCC1	759538950	OAVPHXDWLUSSIK-KRWDZBQOSA-N	420.604	3.770	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1	759600380	DXDXIYNVNRCVLK-KRWDZBQOSA-N	409.552	3.920	10	20	HHCD	
CCN1C[C@H](CN(C)C(=O)NCCCSc2nccs2)Oc2ccccc21	759601126	HSZDVOMPTIMJGE-HNNXBMFYSA-N	406.577	3.554	10	20	HHCD	
CC(C)OC(=O)C[C@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	766030449	OCYXZVWASCWWHT-QGZVFWFLSA-N	411.498	3.883	10	20	HHCD	
COc1ccc2c(c1)CCCCN2CC(=O)NCC1(c2ccccc2)CCOCC1	766270752	SJRORYVOGOFYRX-UHFFFAOYSA-N	408.542	3.703	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cc(C)c(C)cc2O)C(C)C)cc1	769353944	WXVIXTCYYBGGIW-NRFANRHFSA-N	400.519	3.618	10	20	HHCD	
C[C@H](NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(N(C)C)cc1	773023390	XMQKASOTAGDTFR-QFBILLFUSA-N	401.551	3.967	10	20	HHCD	
CC(C)(C)OCc1ccccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	773270266	DJFHVDDXUZOYNW-IBGZPJMESA-N	423.557	3.633	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cc(-c4cccnc4)nn3CCO)c2C)c1	775116907	ZMBGXQBJURFYLM-UHFFFAOYSA-N	415.497	3.906	10	20	HHCD	
COc1cc(Br)cc(CN(C[C@H](O)COc2ccccc2)C(C)C)c1O	775198830	GHFRUXAZRGNGHG-KRWDZBQOSA-N	424.335	3.814	10	20	HHCD	
CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775674726	FGBTXBGXDQSEPC-HZPDHXFCSA-N	418.563	3.712	10	20	HHCD	
C[C@@H](NCC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1	775833287	AXSXBKZFGBZZAS-OAHLLOKOSA-N	409.452	3.661	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(Br)cc1C(F)(F)F	776491433	VUHVXZXYHDXNCK-UHFFFAOYSA-N	404.182	3.852	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)c(C)n1-c1ccc(Cl)cc1	779080099	POPNWRDJTFAJDR-UYAOXDASSA-N	400.906	3.958	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1cccc(OC(C)C)c1	787869793	DDWXCYMZDGLXBH-GOSISDBHSA-N	411.546	3.766	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cc(F)ccc1OC	789061452	KZXRTTAKTIKASF-OAHLLOKOSA-N	402.466	3.546	10	20	HHCD	
CCC[C@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)sc2C1	789369448	BHHWTEKBQFGLDW-HNNXBMFYSA-N	414.575	3.711	10	20	HHCD	
Cc1cc(C(=O)NCCCCn2cc(Br)cn2)c(C)n1-c1ccccn1	792495085	AYTUXPSABBEHQG-UHFFFAOYSA-N	416.323	3.658	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	793724404	AFGRKIJIXQXLOO-MJGOQNOKSA-N	418.534	3.545	10	20	HHCD	
CN(Cc1cn(-c2cccc(Br)c2)nn1)Cc1c(O)ccc2ccncc12	794880673	GKTSRUPCAPZVOP-UHFFFAOYSA-N	424.302	3.916	10	20	HHCD	
Cc1nc(O)c(Br)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	795397702	XRYBXIXUHIHUCV-UHFFFAOYSA-N	406.324	3.975	10	20	HHCD	
Cc1cc(C(=O)N2CCC(n3cnnc3O)CC2)c(C)n1-c1ccc(C(C)C)cc1	798255945	DQOMUJGGTAQMAN-UHFFFAOYSA-N	407.518	3.992	10	20	HHCD	
CCCCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)Cc1ccccc1O	801599268	IGQYYXHTLRJICE-UHFFFAOYSA-N	415.515	3.588	10	20	HHCD	
Cc1cc(F)ccc1CN(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805024775	VUMFIPYZKRFONQ-UHFFFAOYSA-N	411.521	3.645	10	20	HHCD	
Cc1cccc([C@@H](NC(=O)C(=O)NCCCSc2nccs2)C(C)(C)C)c1	806276863	MJFSKNNABZHQHT-MRXNPFEDSA-N	405.589	3.954	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21)c1ccc(N(C)C)cc1	807677706	RWNYREXWAHJDJL-HXOBKFHXSA-N	405.542	3.998	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1O	808696034	STZWJKJZBLLZPR-NSHDSACASA-N	414.877	3.566	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(C(F)(F)F)cc1O	810209462	DTSRBNCFYLQNOQ-SFHVURJKSA-N	408.468	3.799	10	20	HHCD	
COc1ccc([C@@H](O)C2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)cc1	813073242	SDZASMVKUKQZMX-HSZRJFAPSA-N	411.546	3.725	10	20	HHCD	
O=S(=O)(c1ccc2c(c1)CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1	819427743	RWMYQXKFZVMQQY-FQEVSTJZSA-N	401.528	3.641	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CSC(F)F)c(C)n1-c1ccc2c(c1)OCCO2	899338586	GRLQRUQLZOEQPA-UHFFFAOYSA-N	411.426	3.547	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCN(Cc2ccccc2)CC1	916625999	QCBMXZATWDRDLR-UHFFFAOYSA-N	424.614	3.657	10	20	HHCD	
CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1	916985249	ZKXLHULEANHFCC-DEOSSOPVSA-N	423.557	3.580	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)NCc2ccc(OC(F)F)cc2)C2CC2)cc1	917074884	JVNPUPHEHNZMDV-UHFFFAOYSA-N	403.473	3.635	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCc4occc43)cc2F)C[C@@H](C)O1	918210282	LHXPMRHIFIQPKL-SPYBWZPUSA-N	401.482	3.909	10	20	HHCD	
Cc1cc(C(=O)NCCCC(=O)NC2CC2)c(C)n1-c1cccc(Br)c1	918593220	YZJQCHISYSLQMV-UHFFFAOYSA-N	418.335	3.645	10	20	HHCD	
Cc1n[nH]c(C)c1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	920478265	LTCKELBGCGMAQK-UKTHLTGXSA-N	406.558	3.708	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CO[C@@H]2CCOC2)sc(C)c1-c1ccc(C)cc1	1319364855	KNTPWSPOFKSTDK-MRXNPFEDSA-N	403.500	3.953	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3c(C)cccc3F)n2)cc1	1320701518	XVVTZRFKFGOVLX-UHFFFAOYSA-N	419.503	3.695	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)C1CCN(C(=O)CCc2ccccc2)CC1	1322263579	IMQLQXBHCLAXJF-UHFFFAOYSA-N	412.877	3.686	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4c(C)cc(C)nc4s3)cc2)CC1	1519998279	YOUOCGHLXVRYIP-UHFFFAOYSA-N	422.554	3.512	10	20	HHCD	
CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)sc2C1	1823439656	KRAZMUOMUHFUGI-QGZVFWFLSA-N	408.527	3.796	10	20	HHCD	
CCN(C)[C@@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1	110740301	CYYAQQMSFLDAGZ-IEGUWTFLSA-N	413.537	3.749	10	20	HHCD	
COCc1nc(OC)c2c(C)c(C(=O)NCc3c(C)c4ccccc4n3C)sc2n1	473263277	LAGYENLLTIDTGA-UHFFFAOYSA-N	424.526	3.885	10	20	HHCD	
COc1ccc(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cc1F	544906599	UMTGEPUFAJPMGO-UHFFFAOYSA-N	409.442	3.691	10	20	HHCD	
CCCOc1cc(C)ccc1CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C	673314357	SEUGISFXWLMBBY-UHFFFAOYSA-N	407.514	3.517	10	20	HHCD	
CC(=O)NC1CCC(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	726312816	QFWJVNYDGGFBAJ-UHFFFAOYSA-N	407.474	3.604	10	20	HHCD	
C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccc(N2CCOCC2)cc1	727477909	LCMSXLMVMIHGNY-VGOFRKELSA-N	413.493	3.506	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@H]3c3cccc4c3OCCO4)ccc21	727601587	CTKWZBWZLNMLEF-NRFANRHFSA-N	407.514	3.887	10	20	HHCD	
COc1ccccc1C(C)(C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	728749291	FCMMBSUDENQILV-UHFFFAOYSA-N	415.509	3.530	10	20	HHCD	
C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728838920	AQIDLPYPZMZJKG-AUUYWEPGSA-N	408.420	3.872	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1	728982022	IIAUHOOYHFGBBY-LBPRGKRZSA-N	422.934	3.845	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2c(C)cc(Br)cc2C)c1	729064776	WKWRJULZFCZZKG-LBPRGKRZSA-N	421.291	3.596	10	20	HHCD	
COc1cc(F)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC	730667486	YDNRNFPEVWELHI-OAHLLOKOSA-N	404.438	3.762	10	20	HHCD	
COc1ccc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl	732917172	FZLJPZOVRWAIGA-CRAIPNDOSA-N	401.938	3.901	10	20	HHCD	
CCc1ccc([C@H](C)CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	737517193	HTKJDVBRQDBHQE-GCJKJVERSA-N	407.558	3.761	10	20	HHCD	
CN(C)CCOC1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	738211608	XHJFRDSSYCZWPK-UHFFFAOYSA-N	407.352	3.851	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	739700562	SETHKBUBCLWLDE-MOPGFXCFSA-N	419.591	3.549	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1	740813144	VAONOUSTPDKDMB-UHFFFAOYSA-N	420.915	3.822	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1	740912798	XJOUKTNCLDHEAO-DEOSSOPVSA-N	406.574	3.815	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CCc2ccco2)NC(=O)OC(C)(C)C)cc1	742755934	ZRRBEGXVYNNQOQ-LJQANCHMSA-N	401.507	3.660	10	20	HHCD	
COC(=O)c1cc(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)ccc1OC	743912434	UVZGJDRDZJUFGS-UHFFFAOYSA-N	422.481	3.828	10	20	HHCD	
COc1ccccc1N(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	744389040	GLICEXVDDHSRHL-UHFFFAOYSA-N	400.434	3.546	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)N[C@H](C)c3cc(OC)ccc3O)ccc2NC1=O	745933963	WOOACQCTFJPALL-QUJCMNEKSA-N	413.474	3.632	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cnn(Cc4ccccc4)c3)CC2)cc1	746031447	ANZKIUSLOUUCAQ-UHFFFAOYSA-N	405.502	3.684	10	20	HHCD	
CNC(=O)CC1CCN(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)CC1	746671046	ZZKGWQDGMWEXHU-UHFFFAOYSA-N	413.587	3.847	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H](OC1CCOCC1)c1ccccc1	746673812	JCISXTFRYDAPGW-JPYJTQIMSA-N	411.546	3.877	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1F	746797980	LFEHZMKPBMCLJV-QGZVFWFLSA-N	417.912	3.714	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)N3CCc4ccccc43)cc2F)C[C@@H](C)O1	746878295	VDWUDGWLNLLMFJ-KSZLIROESA-N	411.521	3.507	10	20	HHCD	
Cc1nc(CCCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cs1	749910820	FXOKOMFEKPMWJE-GASCZTMLSA-N	405.539	3.843	10	20	HHCD	
O=C(Cc1cccc(Br)c1)NCc1ccc(N2CCSCC2)cc1	751335093	BRLGQBCQUNDOFK-UHFFFAOYSA-N	405.361	3.861	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCCO[C@@H](C)c3ccccc3)CC2)cc1F	753828020	KKYBFRBGDZIOSN-SFHVURJKSA-N	415.509	3.834	10	20	HHCD	
Cc1ccc([C@H](C)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c(O)c1	756608119	HDAVIUHPDSDUGT-INIZCTEOSA-N	408.589	3.830	10	20	HHCD	
C[C@H](CSc1ccc(F)cc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	756720012	ZCXKSKVAPSFMMA-MRXNPFEDSA-N	418.534	3.822	10	20	HHCD	
Cc1cc(C(=O)Nc2c[nH]c(C(N)=O)c2)c(C)n1-c1ccc(Br)cc1	756969635	PWFSPMSGRPRYOO-UHFFFAOYSA-N	401.264	3.536	10	20	HHCD	
C[C@H]1C[C@@H](Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c2c(O)ccc(F)c21	757626476	AGISSQUAKLRYFL-SWLSCSKDSA-N	401.463	3.781	10	20	HHCD	
COc1cc(N2CCN(Cc3cc4c(cc3O)CCCC4)CC2)cc(OC)c1OC	758966624	YMVSBZOEVRHNRE-UHFFFAOYSA-N	412.530	3.619	10	20	HHCD	
C[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Oc1ccc(Cl)cc1	761486966	RONBUJYJRPOVRE-GFCCVEGCSA-N	409.269	3.931	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(Cl)n1	761696538	LIEFJUTVSAFILK-CHWSQXEVSA-N	422.888	3.818	10	20	HHCD	
Cc1sc(Cl)nc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	762895905	BXCCRYJCEQJRQH-CYBMUJFWSA-N	400.331	3.858	10	20	HHCD	
CCCN(CCN(CC)CC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	764686582	XDKLYRNLPCZJNG-RTBURBONSA-N	422.589	3.703	10	20	HHCD	
COc1cc(C)c([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OC	765246762	VVGPLDHBORMCHS-IEBWSBKVSA-N	411.546	3.565	10	20	HHCD	
C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(N2CCCCCC2)cc1	765332567	RGZZPGRFWPMAHC-NZQKXSOJSA-N	403.636	3.926	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)cc1	768040371	NJWQPYOKDVBHKM-IBGZPJMESA-N	420.351	3.828	10	20	HHCD	
Cc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)c(O)c1O	770467751	ABTNBEGMJCRNHF-UHFFFAOYSA-N	420.465	3.734	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCc1cccc2c1OCO2	771408124	PUUPNBPMSSTYFM-UHFFFAOYSA-N	406.276	3.865	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC(OCCCc4ccccc4)C3)CC2)cc1	771434794	UEZPFZVAHMMJNZ-UHFFFAOYSA-N	423.557	3.707	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnn(C(C)(C)C)c3)cc2F)C[C@@H](C)O1	772369500	SRQSRSIXYDAJQH-HUUCEWRRSA-N	403.502	3.713	10	20	HHCD	
C[C@@H](NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1ccc(N(C)C)cc1	773021663	SMNKRCPYSLZJSW-BZPDREMPSA-N	405.542	3.882	10	20	HHCD	
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)O1	775499671	JUXAPLXGFSWBSJ-RXVVDRJESA-N	423.517	3.534	10	20	HHCD	
C[C@@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(N(C)C)cc1	775832715	ARVUPFGWZFTZIJ-GOSISDBHSA-N	412.603	3.591	10	20	HHCD	
O=C(c1cccc(O)c1O)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F	776666496	NCOPFFPXZJSKJF-INIZCTEOSA-N	408.420	3.624	10	20	HHCD	
CC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(C)nc1C	777112570	PQAVECPLJURJHS-NRFANRHFSA-N	409.530	3.788	10	20	HHCD	
Cc1nc([C@H]2COCCN2CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1	779633731	VTOYKHZBRNLKOE-LJQANCHMSA-N	406.446	3.805	10	20	HHCD	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc(O)c(O)c1	782940800	JTGSAXPTNYROCD-UHFFFAOYSA-N	409.350	3.838	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c(OC)c1	785548963	PYLDZFCXGHUEFS-UHFFFAOYSA-N	418.515	3.663	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1	788931083	DREMHTOSRXYCRG-IJFZUYQYSA-N	403.526	3.607	10	20	HHCD	
O=C1/C(=C\c2ccc([N+](=O)[O-])c(O)c2)SC(=S)N1CCc1ccc(F)cc1	790591372	QWVMAZSDWVLBOG-MHWRWJLKSA-N	404.444	3.883	10	20	HHCD	
O=S(=O)(Cc1ccc(Cl)c(F)c1)NCc1cccc(Br)c1O	795186508	WECOGLWQEKBPIC-UHFFFAOYSA-N	408.676	3.567	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(CC(C)C)c1CC	802609975	OHUHWDWAQHPCAD-UHFFFAOYSA-N	400.523	3.575	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(Cl)c1Cl	803688727	ZXGAKXZKKGAFTR-ZDUSSCGKSA-N	420.340	3.869	10	20	HHCD	
CN1CCOc2ccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc21	806747174	ZRRUGMAMVURNBX-UHFFFAOYSA-N	417.456	3.515	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2nc3c(s2)CSCC3)cc1	807006733	QVDZQFMFYPUHAC-UHFFFAOYSA-N	416.572	3.677	10	20	HHCD	
CCN(C)C(=O)c1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1	807007056	ZIJQIUDNOGDTFQ-UHFFFAOYSA-N	422.529	3.523	10	20	HHCD	
CC(C)S(=O)(=O)c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807841127	SLJFMWGUYKUUPT-UHFFFAOYSA-N	402.299	3.811	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C3CC3)[C@H](C)C3CC3)cc2Cl)C1	807952834	QELQZQARWJJNKY-HZPDHXFCSA-N	417.981	3.982	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1	812154936	WYBWKRUUYBHRET-UONOGXRCSA-N	423.564	3.797	10	20	HHCD	
Cc1ccoc1CN(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	813585597	KVKUMFCLTQZZNO-UHFFFAOYSA-N	411.424	3.785	10	20	HHCD	
CCOC1(C)CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	813662423	XTYBEIUNPFBNIY-MRXNPFEDSA-N	411.493	3.857	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1O	814171380	MNHSYZZICRZWEZ-OAHLLOKOSA-N	421.494	3.721	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1	915344311	WGTGKDUTXGAKQL-UHFFFAOYSA-N	412.534	3.664	10	20	HHCD	
COc1cccc(C(=O)N2CCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2)c1	917506019	KZPUQDRGMWHQKW-UHFFFAOYSA-N	423.538	3.762	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1	917897295	FNGDZRFQVCQIJN-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1	918228915	RKNIYFCNZFKSDB-QGZVFWFLSA-N	417.575	3.839	10	20	HHCD	
C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	920230819	YZUIIVHJVURFSO-KGLIPLIRSA-N	406.438	3.926	10	20	HHCD	
CCCC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	920872911	XXEGUEOUYAITNL-SFHVURJKSA-N	424.545	3.822	10	20	HHCD	
CC(C)CN1C(=O)/C(=C/Nc2ccccc2NCCc2ccccc2)C(=O)NC1=S	920976516	WJKJTXJXKLXRQW-NBVRZTHBSA-N	422.554	3.536	10	20	HHCD	
COCCn1cc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1=O	1318018348	RKFKQRNTEYCFIU-UHFFFAOYSA-N	412.534	3.585	10	20	HHCD	
CSc1ccc([C@@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)N(C)C)cc1	1324223989	XKXKTCSNHCUMOK-HSZRJFAPSA-N	416.610	3.692	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CC3(F)F)C2)cc1	1843854058	NJGKGKSFFYCHOH-LJQANCHMSA-N	413.468	3.566	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(OC)c(F)c3)CC2)cc1	72084226	UIXXMSLTZPWXIN-UHFFFAOYSA-N	401.482	3.653	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cn(C)c3ccccc23)cc1	110148192	UHHFXMYRGSIUKR-QFIPXVFZSA-N	405.542	3.995	10	20	HHCD	
C[C@H](NC(=O)N(C)CCCOc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	141010154	AFOXSMFDBVQPBN-SFHVURJKSA-N	415.509	3.834	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(Br)c2c(c1)OCCO2	303162828	PJMVUZKVTABHPR-UHFFFAOYSA-N	406.276	3.978	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3ccc4c(c3)OCCO4)ccc21	482303361	OWCJZMQFFWRBEF-UHFFFAOYSA-N	408.498	3.648	10	20	HHCD	
CCn1nnnc1-c1cccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1	606308802	XMNHRFHYMJJLKZ-UHFFFAOYSA-N	418.501	3.830	10	20	HHCD	
O=C(C[C@@H]1OC(=O)c2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566574	UQMOHKCBPKNNFG-IBGZPJMESA-N	416.424	3.675	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)n[nH]2)o1	726568077	VKSUHQYWBHDHTG-UHFFFAOYSA-N	416.428	3.978	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)n1	730073224	KJSMASHIQJBXHR-LBPRGKRZSA-N	402.497	3.943	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccc(F)cc3F)cc2F)CC1	730111539	GQXNYISPHJOZJK-OAHLLOKOSA-N	420.479	3.806	10	20	HHCD	
Cc1cc(N2CCC[C@H](OC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)nc(C)n1	731299771	OUFHPJCQAOFJIQ-IBGZPJMESA-N	405.502	3.722	10	20	HHCD	
CCSc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	733850842	SMNKTTGODWBJFH-GOSISDBHSA-N	414.527	3.651	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	735034037	LWOQNAMVWNRUMH-UHFFFAOYSA-N	407.470	3.522	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)c1	735383587	DMQMTHYVWBKSHT-RDJZCZTQSA-N	401.482	3.878	10	20	HHCD	
O=C(NCCCc1ccc(O)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	735760483	YYAHNZYKAHQDQS-UHFFFAOYSA-N	419.472	3.894	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C3(c4ccccc4F)CC3)cc2F)C[C@@H](C)O1	736004559	LNFAHNVVMRUYDK-IYBDPMFKSA-N	400.469	3.926	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)C3CCC(c4ccccc4)CC3)CC2)cc1	742590525	LGWBWPIVRXPWLD-UHFFFAOYSA-N	421.585	3.907	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nc(-c2cccc(F)c2)no1	743701764	AOOPDBILPFACAA-LBPRGKRZSA-N	401.417	3.641	10	20	HHCD	
O=C(OCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1N=Nc1ccc(O)cc1	744550838	NVMMBGLIJAYGTO-UHFFFAOYSA-N	422.441	3.829	10	20	HHCD	
CN(C)c1cccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	745787809	HKLCWPCJIQYSLE-KRWDZBQOSA-N	418.488	3.822	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)ccc1C	745994931	UNUGXQIIIKOWBM-UHFFFAOYSA-N	402.516	3.963	10	20	HHCD	
CCN(CC)CCO[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	746758820	ATDTURIFUUFXPJ-HSZRJFAPSA-N	416.610	3.565	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1Cc1ccccc1	751098433	SIYPROOQZUEGOF-NZQKXSOJSA-N	404.558	3.915	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3csc(-c4ccc(C)o4)n3)CC2)cc1F	753739278	CVDPFUKGDVLNMN-UHFFFAOYSA-N	401.463	3.822	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(Br)cc1O	756544756	VPEMGPRYLFKLJE-CMPLNLGQSA-N	402.235	3.523	10	20	HHCD	
Cc1ccc(O)c([C@@H](C)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1	756775701	RICYLCNFBPDCDK-CYBMUJFWSA-N	403.422	3.724	10	20	HHCD	
C[C@@H](NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccc(F)cc1O	756776798	RLIBTZFDPABCEN-CQSZACIVSA-N	410.486	3.564	10	20	HHCD	
Cc1ccc(OC(F)F)c(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	756954510	VRKUXWKYUXEQFO-UHFFFAOYSA-N	419.472	3.775	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NCc2ccc(N3CCCC3)cc2)C1	758406791	BEMLMLKGFNBLAO-LJQANCHMSA-N	401.551	3.940	10	20	HHCD	
C[C@@]1(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCS1	758694208	CVLZUTBDCGDQFI-SFHVURJKSA-N	417.497	3.627	10	20	HHCD	
CCc1sc(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1C	759222336	KJYCOYXTXVKJCQ-UHFFFAOYSA-N	404.532	3.607	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3sccc3C3CC3)CC2)cc(OC)c1OC	759238160	CJBISYAOKVYZIH-UHFFFAOYSA-N	402.516	3.614	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)cc(OC)c1OC	759936440	WAMPJFFNDIULAD-UHFFFAOYSA-N	423.872	3.859	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COC/C=C\c3ccccc3)cc2F)C[C@@H](C)O1	763281577	NQUXQCWAEIHHRX-KJQSLDHJSA-N	412.505	3.786	10	20	HHCD	
C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)cc1Cl	764773325	GXCMIVOEEDSVBP-INIZCTEOSA-N	401.938	3.729	10	20	HHCD	
CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)NCc1cccc(Br)c1O	764807799	WCHSXTIMBRPAIA-APPDUMDISA-N	411.271	3.869	10	20	HHCD	
C[S@@](=O)C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1	765638958	QUTRWVFQJFHQLG-HMILPKGGSA-N	401.532	3.795	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2COC)cc1F	768040208	IGYDQSLNSPCEIX-UHFFFAOYSA-N	410.493	3.934	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1ccccc1OCC(=O)N(C)C	769541264	SUGWNOZTIUDILM-UHFFFAOYSA-N	421.335	3.644	10	20	HHCD	
O=[N+]([O-])c1ccc(O)c(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1	770552541	IYFCGYYLQFUTLA-UHFFFAOYSA-N	416.441	3.809	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H](O)c1c(Cl)cccc1Cl	771844202	RIDFOAGHAXRHSU-BTYIYWSLSA-N	408.373	3.957	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@@H](C)c3nc4c(s3)CCCC4)CC2)cc1	772445785	IJQGWRNZIJIAJW-KRWDZBQOSA-N	400.592	3.503	10	20	HHCD	
O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	772805431	YLTFIRSKUPEGED-QUCCMNQESA-N	423.340	3.903	10	20	HHCD	
COCc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1	774700544	KUBRXJIFOISCFC-UHFFFAOYSA-N	419.484	3.974	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccccc4Cl)n3)CC2)cc1	776293773	ZMAYUNRYNUOYNF-UHFFFAOYSA-N	410.905	3.805	10	20	HHCD	
COCC[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccc(C)o1	778753978	CTCYWGMOPUGKDD-HXUWFJFHSA-N	401.507	3.596	10	20	HHCD	
Cc1cc(C(=O)Nc2nn3cnnc3s2)c(C)n1-c1ccccc1Br	779169557	DWFMGKSKPDVXBL-UHFFFAOYSA-N	417.292	3.608	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC2(CC1)OCCc1ccsc12	779363690	HSCJOBLJFFPTGB-UHFFFAOYSA-N	409.602	3.960	10	20	HHCD	
CC(=O)c1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	782424878	BUNKVUYNWSHQMU-UHFFFAOYSA-N	419.481	3.716	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2ccc3nc(O)[nH]c3c2)Cc2cccs2)cc1	782966030	KEQDUVKSIFRUCA-UHFFFAOYSA-N	408.483	3.984	10	20	HHCD	
CCNC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c(C)c1	784058410	TXCXBKSFYXUHTF-UHFFFAOYSA-N	422.529	3.631	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccccc1Br	786818646	WANHWELJOGPQNM-UHFFFAOYSA-N	419.319	3.600	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1	787017907	UGBLPUHRMAIGLY-CQSZACIVSA-N	419.978	3.879	10	20	HHCD	
CC1(C)Cc2cccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2O1	789400768	JONURGRTGNGVTA-UHFFFAOYSA-N	413.493	3.822	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(N(C)C)cc2C(F)(F)F)c1	792956754	LZCJYNGPPLRSDG-ZDUSSCGKSA-N	415.481	3.530	10	20	HHCD	
Cc1cc(C(=O)CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(F)c1	794501727	IFGBZZIAFXERSF-UHFFFAOYSA-N	416.430	3.798	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(N4CCOCC4)ccc3C)CC2)cc1	797688749	OSNRKNGWXMCYRR-UHFFFAOYSA-N	424.545	3.631	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNc3cc(N4CCOCC4)ncn3)cc2Cl)C1	799963037	HESAGIRURTWLHT-MRXNPFEDSA-N	401.942	3.815	10	20	HHCD	
Cc1sc(=O)n(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1C	800048354	ZBKCVTVDFCKSBT-ZDUSSCGKSA-N	407.967	3.733	10	20	HHCD	
Cc1cc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C)c(C)n1-c1ccccc1	800747574	LWBPLLLDQUVOTI-KRWDZBQOSA-N	405.424	3.657	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1	801548042	KJFWAPDDOQHTME-IBGZPJMESA-N	403.567	3.989	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)COC1CCN(C(=O)OC(C)(C)C)CC1	801548948	XXPAVBHUMRIIQP-UHFFFAOYSA-N	420.550	3.937	10	20	HHCD	
CC[C@H](C)N[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccco1	807442894	RHVAIQHNPURQGE-SXLOBPIMSA-N	415.534	3.805	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)CSc1ccc(C)cc1	807688396	QSVKZZJEDAUPOH-QGZVFWFLSA-N	400.544	3.736	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(CC(=O)OC)c3)n2)cc1	811823465	TWFNRNNDECBWOC-UHFFFAOYSA-N	416.524	3.889	10	20	HHCD	
CC(C)OCc1nc([C@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)no1	811972316	NYTKIJBGKDDUGJ-VIFPVBQESA-N	403.266	3.567	10	20	HHCD	
CC[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cc(Br)ccc1O	812742346	VBWQANXNCYIVLT-SFHVURJKSA-N	418.335	3.650	10	20	HHCD	
Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	857758522	JHGSAHDFWJCKAF-KRWDZBQOSA-N	401.938	3.944	10	20	HHCD	
O=C(NCc1ccnc(N2CCCCC2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916254824	PMVOFPJDTNMSSQ-NRFANRHFSA-N	424.545	3.668	10	20	HHCD	
CC(C)N(C)Cc1ccccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	916387003	MGBLKITWOUKYQR-UHFFFAOYSA-N	424.589	3.705	10	20	HHCD	
COC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	917926947	VTUDAAMIGGSIEW-UHFFFAOYSA-N	422.934	3.546	10	20	HHCD	
CCOc1ccc(C(=O)CCC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	918369644	NXRNOALMDFPSGJ-UHFFFAOYSA-N	410.514	3.796	10	20	HHCD	
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCCCC3)c2)c1	919823693	ZBCDPYFZPKYYRD-UHFFFAOYSA-N	421.950	3.833	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(Cn2cccn2)cc1	921117924	GINIZYDPTRKESM-UHFFFAOYSA-N	407.543	3.806	10	20	HHCD	
O=C1Nc2ccccc2[C@H]1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	1116443917	IVNLBHQJQJYHRC-GOSISDBHSA-N	401.850	3.902	10	20	HHCD	
Cc1cc(-c2nnc(CN(C)C(=O)[C@H](C)n3cccn3)o2)c(C)n1-c1ccccc1	1117164632	FXSIYSCPZGRNEF-KRWDZBQOSA-N	404.474	3.560	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/C(=O)Nc4ccc(Br)cc43)cc2F)CC1	1252173614	YKVLZTIXJDUSBR-MHWRWJLKSA-N	416.294	3.833	10	20	HHCD	
CC(C)Oc1ccc(CCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	140976906	UXVFIPNHYRLGQK-IBGZPJMESA-N	411.546	3.913	10	20	HHCD	
C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)COCc1ccccc1	195616104	FFORAUBZHRJWGU-FQEVSTJZSA-N	411.546	3.518	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](O)COc3c(C)cccc3C)ccc21	590809349	IKWPOUJKHUWMOD-NRFANRHFSA-N	424.541	3.691	10	20	HHCD	
Cc1nn(C)c2ncc(CNC3CCN(c4ccc(OC(F)F)cc4)CC3)cc12	726608359	YPMWZIKXHOKUFI-UHFFFAOYSA-N	401.461	3.637	10	20	HHCD	
O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)c(F)cc2N1	727250730	QJZULWDGVCOPJP-UHFFFAOYSA-N	421.450	3.774	10	20	HHCD	
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc(N2CCOCC2)c(F)c1	727263789	ICTVBBUEJRLPMM-PTNGSMBKSA-N	411.864	3.970	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(SC(F)F)c3)ccc21	727617082	IKVWYMMXEPHGAZ-UHFFFAOYSA-N	405.470	3.639	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)n1cnc2ccccc21	729352411	POFBRCBHSBZDPQ-WIYYLYMNSA-N	406.530	3.871	10	20	HHCD	
CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	730127506	AICMZRCPNHLLHO-NRFANRHFSA-N	412.553	3.788	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)N[C@@H](C)c3ccccc3)cc2F)CC1	730157681	WEZZBIBFFLDWOC-KRWDZBQOSA-N	400.567	3.693	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC1	731039224	XZLNUDNWQCPUAC-UHFFFAOYSA-N	416.543	3.563	10	20	HHCD	
CCOc1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)c(O)c1	733332102	MXDVGZATZUCHKA-UHFFFAOYSA-N	406.486	3.797	10	20	HHCD	
CCc1nc(C(=O)NCc2cc(OC)ccc2O)nn1-c1c(Cl)cccc1Cl	734015039	VSAKXESDNDUEGC-UHFFFAOYSA-N	421.284	3.781	10	20	HHCD	
CC(C)N(CCCNC(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)OC(C)(C)C	740914034	PTNRXYRIUCPCCC-UHFFFAOYSA-N	416.566	3.898	10	20	HHCD	
CCN(CCCNC(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)OC(C)(C)C	741078908	UGGMQLWESVDENB-UHFFFAOYSA-N	402.539	3.509	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)cc1	741895301	QSYGOAYPIGEETA-HSZRJFAPSA-N	413.537	3.704	10	20	HHCD	
CN(c1ccc(CNC(=O)CNC(=O)c2cc3ccccc3[nH]2)cc1)C1CCCCC1	742591076	XBFVZXOQSMKWLH-UHFFFAOYSA-N	418.541	3.983	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)cc1F	742653847	PGLPAUNIUWKPJH-UHFFFAOYSA-N	420.554	3.972	10	20	HHCD	
Cc1cnc([C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)s1	745648983	WESQMOPUJMDJSK-LJQANCHMSA-N	418.538	3.502	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1	745842145	XJOBQEDYQPKZLM-HXUWFJFHSA-N	418.582	3.976	10	20	HHCD	
CC(C)CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1	746158092	VNCFBYHEMKXOAW-UHFFFAOYSA-N	405.558	3.569	10	20	HHCD	
CCN(CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(N(C)C)c(F)c1	746975820	QOGMVMCOVGTNSA-UHFFFAOYSA-N	400.542	3.945	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)c(C)n1-c1ccccn1	747221711	OLQLDMNEPGEROF-SFHVURJKSA-N	419.403	3.851	10	20	HHCD	
Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	748981432	YCAKQJPECWDFNJ-UHFFFAOYSA-N	422.573	3.644	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1	750252991	FRUVBYLCLVEEBE-UHFFFAOYSA-N	422.529	3.526	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1noc(Cc2ccccc2)n1	753050855	NBPKMPBHRZFDEF-OAHLLOKOSA-N	406.486	3.805	10	20	HHCD	
COC(=O)CCN(Cc1ccncc1)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	753712527	HFUQSIJYPHIKGS-UHFFFAOYSA-N	409.461	3.834	10	20	HHCD	
O=C(O)[C@H](Cc1c[nH]c2cccc(Br)c12)NCc1ccc2c(c1)CCO2	756379378	BBYZPKSJDNOVTI-KRWDZBQOSA-N	415.287	3.651	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)ccc1[N+](=O)[O-]	759158754	IZNNKOIJZJHJIU-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H](C[C@H](C)O)c3ccccc3)CC2)cc1	759572150	DIJCDCMSICHMHW-AZUAARDMSA-N	411.546	3.518	10	20	HHCD	
CN1C(=O)CCc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc21	759841069	VFIOPZGIUWAGHD-UHFFFAOYSA-N	410.429	3.623	10	20	HHCD	
O=C(Nc1ccccc1O[C@@H]1CCOC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	760062189	ODGRQIJHSWLIDC-RBUKOAKNSA-N	412.486	3.773	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc(OC)c1O	763631848	PGVAOZNAWDOYTE-UHFFFAOYSA-N	410.470	3.911	10	20	HHCD	
Cc1cccc([C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccn2)c1	765664343	FTQPKNSJGRXXGP-XMMPIXPASA-N	416.525	3.815	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(F)cc3OC(C)(C)C)ccc21	765859120	LWHSGMLFDHFLKD-UHFFFAOYSA-N	413.493	3.640	10	20	HHCD	
CC(C)NC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1	767352478	JGXACEMVRDXGKK-HSZRJFAPSA-N	423.557	3.712	10	20	HHCD	
CSc1cccc(C)c1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	770725778	UAIRLAMTTNMZOB-UHFFFAOYSA-N	415.584	3.525	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3cc(Br)ccc3F)CC2)cc1	771253342	VZTVIAWZTWIELS-UHFFFAOYSA-N	421.310	3.878	10	20	HHCD	
C[C@@H](NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)c1ccc(N(C)C)cc1	773627003	VMCWLCSWJZEXFR-QGZVFWFLSA-N	412.509	3.510	10	20	HHCD	
C[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccc(N(C)C)cc1	773986972	HJMDWUURTCGUAA-HNNXBMFYSA-N	408.527	3.881	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2cccnc2Cl)nc1-c1ccccc1	775209127	SNDGNLHHFKMWOT-UHFFFAOYSA-N	408.892	3.618	10	20	HHCD	
CC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	775716483	BJDCEUFKFTVUEQ-IRLDBZIGSA-N	416.610	3.564	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)n(-c4ccc(C)cc4)n3)CC2)cc1	776032128	QZRAUDQPJNYBJB-UHFFFAOYSA-N	405.502	3.852	10	20	HHCD	
COc1ccc(N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)cc1Cl	780778738	QTRSSRSJBYMKMX-CYBMUJFWSA-N	418.346	3.503	10	20	HHCD	
O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(OCCOC[C@H]3CCCO3)cc2o1	782305880	VRCLUCPANOJXMB-GOSISDBHSA-N	411.410	3.943	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F	784746482	RLDKWSZPHNXLTN-IAGOWNOFSA-N	420.391	3.955	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1Oc1cccc(F)c1	785298676	YHYDRMHROZSUPL-AWEZNQCLSA-N	424.428	3.715	10	20	HHCD	
COc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cc(Br)c1OC	786016492	IZQZGUPENHSVTC-UHFFFAOYSA-N	419.319	3.779	10	20	HHCD	
CCC[C@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788932346	LDCJDMJCXBXGBI-JOCHJYFZSA-N	407.558	3.821	10	20	HHCD	
O=C(Nc1cccnc1)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1	789879290	UGJBCPPZRAIHEJ-UHFFFAOYSA-N	406.461	3.922	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1	792085605	QBMJKBUROUCNCI-XJKSGUPXSA-N	409.255	3.658	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ncsc1C(F)(F)F	792237416	CXSNRGVRWUHNDA-GFCCVEGCSA-N	419.856	3.915	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cccc(I)c1	792701913	HHXRPTGYZTUFKJ-UHFFFAOYSA-N	421.281	3.520	10	20	HHCD	
COc1ccc(CN2CC[C@H](NCc3ccc(N(C)C)cc3C(F)(F)F)C2=O)cc1	792989880	NDITZGUIEQCCOX-FQEVSTJZSA-N	421.463	3.671	10	20	HHCD	
CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)c2)C1=O	794261398	YVJHWLMCAFCHAC-IBGZPJMESA-N	417.469	3.576	10	20	HHCD	
CC[C@@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1O	796817621	NCKDUWOLEOZCGF-HXUWFJFHSA-N	406.523	3.566	10	20	HHCD	
O=S(=O)(C1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1)N1CCCC1	799957949	KLQZUJBFNNENEO-UHFFFAOYSA-N	414.527	3.682	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(-c4cccc5cccnc45)n3C)CC2)cc1F	800770371	FUAJLFAEXCQVDB-UHFFFAOYSA-N	418.476	3.505	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1	801549781	AFYNVAUOYLPVGW-UHFFFAOYSA-N	424.950	3.738	10	20	HHCD	
COc1ccc(CNCc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)c(O)c1	802651710	YKWNWJMDAQJIRZ-UHFFFAOYSA-N	400.910	3.904	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C(C)(C)c1ccccc1	804121365	XJXFQZCAVNEZPZ-IBGZPJMESA-N	409.574	3.972	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1	804967293	MFWPXJBZGVQLTR-LJQANCHMSA-N	407.436	3.838	10	20	HHCD	
Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCc1ccc(N3CCC(C)CC3)cc1)CC2	805022886	HDULDWNZLXZMAL-QHCPKHFHSA-N	405.542	3.651	10	20	HHCD	
Cc1nn(C)c(C)c1CCC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	806709356	XOHOWBHNDUDOHI-UHFFFAOYSA-N	411.477	3.942	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(C4=CCCC4)cc3)cc2)C1	810183057	QYCCLKNBAMYLJW-JOCHJYFZSA-N	403.526	3.886	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)c1ccc2c(c1)CC(=O)N2C	812579745	GQJNERQOUMSIGU-UHFFFAOYSA-N	408.479	3.714	10	20	HHCD	
O=C(Nc1cccc(C2CCC2)c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	812957266	HOZAIOOVHMDTNG-OAQYLSRUSA-N	408.498	3.806	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc2cnn(C)c2c1	813172153	GQJJKWBJYACTJN-UHFFFAOYSA-N	417.307	3.773	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)on3)c2C)SC1=S	814268753	GVXGCZLXDGIJLU-GDNBJRDFSA-N	419.528	3.545	10	20	HHCD	
O=C(NCc1cccc(N2CCOCC2)c1)NCc1cc(Cl)cc(Cl)c1O	814468900	MYBYGMYIEKGLEP-UHFFFAOYSA-N	410.301	3.535	10	20	HHCD	
C[C@@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1cccc(C(F)(F)F)c1O	815561699	NJHPEDBPQUESQG-CQSZACIVSA-N	422.447	3.962	10	20	HHCD	
COc1ccc(NC(C)=O)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	916671089	ABHVJAFYOYTGGV-SFHVURJKSA-N	413.474	3.572	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1	918229677	NKJRDMXDJOJDHI-UHFFFAOYSA-N	424.545	3.799	10	20	HHCD	
CCOC(=O)c1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Cl	919774588	QWMPKFPGWHSZAB-UHFFFAOYSA-N	417.893	3.675	10	20	HHCD	
Cc1cc(=O)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1-c1ccccc1	1115834564	JAACWQUTMWGEDU-UHFFFAOYSA-N	404.514	3.658	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(N4CCCC4=O)c(C)c3)CC2)cc1	1115954420	JXAJTHLIVKQCHC-UHFFFAOYSA-N	422.529	3.921	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3c(F)cccc3F)CC2)cc1	1319624315	GEVBIWIIAJFRSN-UHFFFAOYSA-N	412.440	3.716	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(c3ncc(F)cn3)CC2)c1	1337828300	HNCKMGTUMLBZHK-UHFFFAOYSA-N	413.884	3.639	10	20	HHCD	
CCO/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1	1800515368	NINXSPXNBHPWGR-WYMSXFMSSA-N	421.541	3.896	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccccc1OC(F)F)c1ccc(N2CCOCC2)cc1	65435691	XPMXPLCEYXMWFR-OAHLLOKOSA-N	405.445	3.685	10	20	HHCD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65561211	LUYSOAWNFFRYEI-GOSISDBHSA-N	412.578	3.803	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-c3ccco3)nc2O)cc1	303101849	HVFBIVKFIRCWAF-IBGZPJMESA-N	421.497	3.935	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H](C)C(=O)N3CCCC[C@H]3C)cc2)CC1	303287376	AAXUZYJTHVCWBO-RTBURBONSA-N	400.567	3.512	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1nnn(-c2cccc3ncccc23)c1C	303387840	XPUYNHCCVDPXGI-UHFFFAOYSA-N	401.470	3.882	10	20	HHCD	
CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N(C)Cc2ccccc2O)CC1	726280907	ZMPRMKSIGLNUPA-KRWDZBQOSA-N	414.525	3.576	10	20	HHCD	
CCOC(=O)c1ccc(NC(=S)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726492902	DRVKCNDGSRILAC-UHFFFAOYSA-N	413.543	3.827	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(-n2cccn2)c(Cl)c1	727590805	GHHGOSDGSNIWHP-UHFFFAOYSA-N	411.893	3.684	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](c1ccccc1)c1nccs1	729055956	BJPLWBABQRQHAF-OAQYLSRUSA-N	422.554	3.911	10	20	HHCD	
O=C(NC[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	729792543	MEFOCTKEJMBSFN-NRFANRHFSA-N	402.454	3.760	10	20	HHCD	
Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3ccccc3O)c(C)c2)c1	729879115	QKYLMGCKPUNODL-UHFFFAOYSA-N	404.466	3.843	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CC(F)(F)C(F)F)CC1	733986373	JKUAMOKQNGIGTJ-UHFFFAOYSA-N	403.445	3.814	10	20	HHCD	
COc1cc(F)c([C@@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)cc1OC	734013518	QNCIEVWGVMXLJQ-CQSZACIVSA-N	401.482	3.786	10	20	HHCD	
CCc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n(C)n1	734782071	LVFFGMPXWDQCRY-SDNWHVSQSA-N	420.585	3.664	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H]1c1cccc(F)c1F	741698255	WNMOONSBCBWRST-WOJBJXKFSA-N	400.469	3.593	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C	742058052	ZCYMEURMWKJEDV-FQEVSTJZSA-N	419.566	3.517	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3c(O)ccc4c3CCCC4)cn2)CC1	743549313	AUZZGJHBAONFGL-UHFFFAOYSA-N	408.546	3.902	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1	745241925	GPBRCEPGVZFFMB-UHFFFAOYSA-N	417.465	3.545	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1	745492966	LXZOZJSUWNGOOU-CABCVRRESA-N	412.372	3.807	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(OC)c(O)c1	745623626	OOXYIOOFFJKEOJ-UHFFFAOYSA-N	409.280	3.601	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCc4c(O)cccc43)cc2F)C[C@@H](C)O1	745648823	PNAPZPRFLPKRQJ-STXHMFSFSA-N	413.493	3.632	10	20	HHCD	
Fc1cc(CN[C@@H]2CCc3c(F)cccc32)ccc1N1CCN(c2ncccn2)CC1	747815124	CITDNVKSBFGEGL-JOCHJYFZSA-N	421.495	3.859	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1O	748051426	VXXKDXRTGORXHI-UHFFFAOYSA-N	418.896	3.916	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1	750861474	GELMWFAGHIJALL-UHFFFAOYSA-N	418.559	3.784	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)cc1	752706746	AKEXRQODBYRMJR-UHFFFAOYSA-N	412.534	3.907	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN[C@H](C)C3CCCCC3)cc2F)C[C@@H](C)O1	754121221	AQCJVSUBGPFKRQ-KZNAEPCWSA-N	405.558	3.614	10	20	HHCD	
COc1cc(C)cc(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1O	754728034	VNXOGWAOJNWYRL-UHFFFAOYSA-N	400.494	3.685	10	20	HHCD	
CCOc1cccc2c1OCC(C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)=C2	754907399	LGWIAAXQUFEACF-HXUWFJFHSA-N	409.482	3.775	10	20	HHCD	
C[C@H](NCCCS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1O	756439983	BFPLFSNGJPIDIS-AWEZNQCLSA-N	412.349	3.810	10	20	HHCD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1	758159263	NCLOGYORRUZSPH-UHFFFAOYSA-N	402.560	3.771	10	20	HHCD	
O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	761363760	STHWQVINXZDLOK-SFHVURJKSA-N	412.287	3.618	10	20	HHCD	
Cc1nc(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)sc1C	763592559	WLHNISRIPACKQG-OKILXGFUSA-N	420.554	3.555	10	20	HHCD	
O=S1(=O)CCCN1c1cccc(CNCc2cc(Cl)cc(Cl)c2O)c1	764977641	PLZAQABOHFJTAN-UHFFFAOYSA-N	401.315	3.529	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1F	765276287	FVKLYOFHSTYOEO-FQEVSTJZSA-N	413.493	3.672	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3nc(C4CC4)cs3)cc2F)C[C@@H](C)O1	765679278	QRBXQCPJGBNZRU-OKILXGFUSA-N	418.538	3.773	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1	769540720	NCWCZUXHHHVDFR-HXUWFJFHSA-N	412.486	3.552	10	20	HHCD	
O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771063014	DBLSAMYBRUQYMK-KRWDZBQOSA-N	412.921	3.635	10	20	HHCD	
CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N(C)Cc1ccccc1O	771201169	IJEYXGHUWNTQAJ-UHFFFAOYSA-N	421.291	3.539	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	771437728	YIORBUQXLXOHIN-AQKFKSFVSA-N	416.493	3.998	10	20	HHCD	
Cc1c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1	772439888	GOURDJBNSZRMFM-KRWDZBQOSA-N	405.502	3.900	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCN2C(=O)CSC2=O)cc1	772676668	DJNCKTPIHVTUMM-UHFFFAOYSA-N	411.487	3.593	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1	772691101	GVYONXOEWCSXLB-UXHICEINSA-N	407.518	3.761	10	20	HHCD	
CCOC(=O)C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1	773615918	ZPQPUHJBSBTWTL-QRWLVFNGSA-N	401.482	3.946	10	20	HHCD	
C[C@@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)c(Cl)cc1O	774161082	KSJUNSYSMGCLHG-GIGQVBGESA-N	408.285	3.604	10	20	HHCD	
COCCNC(=O)[C@H](Cc1ccccc1)N[C@@H](C)c1cc(Cl)c(Cl)cc1O	774302039	JVBVJZQULBVVKS-UGSOOPFHSA-N	411.329	3.724	10	20	HHCD	
C[C@@H](Oc1ccccc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	774362451	MBSBVPWGEHRCHW-MRXNPFEDSA-N	420.465	3.535	10	20	HHCD	
C[C@H](NC[C@H](O)COCC1=CC[C@H]2C[C@H]1C2(C)C)c1ccc(N2CCOCC2)cc1	775253624	ACOOOVBRDZKOLA-INDWIESVSA-N	414.590	3.544	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	775402798	CNZMUEQIZCVBBG-LIRRHRJNSA-N	417.962	3.799	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2-c2c(F)cccc2F)c1	778609785	UQLKQMQWOGVHDO-UHFFFAOYSA-N	412.392	3.601	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCN(c2cccc(Br)c2)C1	779499165	LQBKMOVFTRSZJP-PKYBCLHXSA-N	417.303	3.516	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	782616855	NJBYZNZTUFIVDR-CGTJXYLNSA-N	404.555	3.949	10	20	HHCD	
COc1cccc(C2=NO[C@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)C2)c1	791627568	DZJHSBSCZQYEEY-IBGZPJMESA-N	413.437	3.537	10	20	HHCD	
CCOc1ccc(O)c(CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1	793305384	RYPIKOFUMNZMAU-UHFFFAOYSA-N	406.482	3.609	10	20	HHCD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1cc(C)ccc1O	796403547	UHPSZJRKGLSTOT-UHFFFAOYSA-N	404.532	3.886	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cc(C)ccc2Oc2ccccc2)c(O)c1	797387299	GTGZOPUYKGPIIF-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
CNC(=O)C1CCC(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	799901568	UBEDRVVOEFFOOZ-FAEJEUNOSA-N	420.985	3.680	10	20	HHCD	
CC[C@@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1cccc(Cl)c1O	806136971	FLJNJURSTMXPEY-GHTZIAJQSA-N	415.965	3.984	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCOc1ccccc1F	807929509	AZKJACBHGPGUAM-UHFFFAOYSA-N	416.493	3.983	10	20	HHCD	
CCOC(=O)[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C1CCOCC1	809651826	BBXLXARSGHZFQN-XMMPIXPASA-N	408.542	3.697	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(C2CCC2)c1)c1ccc(N2CCOCC2)cc1	812961391	XRZHJTPTXUGPLM-KRWDZBQOSA-N	407.514	3.607	10	20	HHCD	
O=C(NC1(C(F)F)CCCC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	813883864	BFJZUTMPORPBSY-UHFFFAOYSA-N	416.471	3.562	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc([C@@H]4CCOC4)cc3)cc2)CC1	815480230	NOVGSJBBNVAJAC-OAQYLSRUSA-N	421.541	3.682	10	20	HHCD	
CC[C@H](C)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	913962427	WJFRAMJOCFNDBK-AAIQCTMTSA-N	413.362	3.565	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc2)C1	918118236	PQMCNMSYDGLQTA-PLACYPQZSA-N	412.578	3.546	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccccn3)C3CC3)cc2F)C[C@H](C)O1	918220528	KPWSZJCWEUIPDT-IRXDYDNUSA-N	412.509	3.709	10	20	HHCD	
CCCCc1ccc(NC(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	918461496	XESZDIVWBODXCP-UHFFFAOYSA-N	409.530	3.715	10	20	HHCD	
Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1	920870914	UPPCKKFHGLRCRF-OALUTQOASA-N	424.545	3.527	10	20	HHCD	
CCOc1ccc(N2CCN(C[C@@H](O)c3ccccc3Br)CC2)cc1	1116418328	XNOXHRYTTICVHN-HXUWFJFHSA-N	405.336	3.703	10	20	HHCD	
CN1CCN(c2ccc(CNC3(Cc4ccc(F)cc4)CCOCC3)cc2F)CC1	1117706402	FUSHNYYZTZYNNW-UHFFFAOYSA-N	415.528	3.598	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H]3OCCC[C@@H]3C2)c(C)n1-c1ccc2c(c1)OCCO2	1319584809	UIAPFUNXNHGVDV-XMSQKQJNSA-N	410.514	3.549	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Br)cnc1Cl	109323332	NTHJIWZYFHZSTN-UHFFFAOYSA-N	424.726	3.606	10	20	HHCD	
CCCC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1C	148194305	DFDUFOYKOURXEU-UHFFFAOYSA-N	410.518	3.892	10	20	HHCD	
Cc1c(CNC(=O)N(C)CC2CCN(c3ccncc3)CC2)n(C)c2ccccc12	472230638	GXEFZIFQPPPILD-UHFFFAOYSA-N	405.546	3.940	10	20	HHCD	
CC(=O)Nc1ccccc1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1	545542810	MRAJAHAGUWNJPP-UHFFFAOYSA-N	404.451	3.578	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)c1	726797041	VWAKNFQCQCDGBC-OAQYLSRUSA-N	418.405	3.679	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1	727437033	PHINRYMCOJITCC-HXUWFJFHSA-N	422.356	3.749	10	20	HHCD	
O=C(NCc1ccccc1O)c1cc(I)cc(C(F)(F)F)c1	728070530	OGENNBOEELVCRX-UHFFFAOYSA-N	421.156	3.946	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1	728981262	WLAXJYDNURKYLT-RDJZCZTQSA-N	404.466	3.784	10	20	HHCD	
COC(=O)c1ccc(OC(C)C)c(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	729039448	NFJRGMMUISANMZ-CYBMUJFWSA-N	402.447	3.857	10	20	HHCD	
CO[C@H](C)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731131931	PBXKMJWYSGLQLS-GOSISDBHSA-N	409.530	3.885	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)CC(=O)NCc3cccs3)c2C)cc1	732966704	ZZVNBYYLOAUQQP-UHFFFAOYSA-N	411.527	3.553	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1	734016889	LTNLXTOPDCJNGN-UHFFFAOYSA-N	409.339	3.674	10	20	HHCD	
Cc1csc(C(C)(C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	734941085	AEVYFYJZHANNOH-HUUCEWRRSA-N	420.554	3.939	10	20	HHCD	
CC(C)COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cn1	735194144	FUSZXVBJBJCITA-UHFFFAOYSA-N	424.545	3.608	10	20	HHCD	
Cc1nc(C)c(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	743656292	YRZUMBXTAHQBDV-UHFFFAOYSA-N	410.490	3.830	10	20	HHCD	
CCN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1cc(Br)ccc1O	744425635	HKAOQTYXYMTURQ-UHFFFAOYSA-N	422.710	3.838	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H]1COc2ccccc2C1	745614880	HSEFFJZTAXIPHZ-DLBZAZTESA-N	417.456	3.560	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H](N2CCCC2)C1	745906124	WUXIFHPCEVCOIT-HKUYNNGSSA-N	422.520	3.527	10	20	HHCD	
Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	746673949	BKPAPDCRBRLKPV-UHFFFAOYSA-N	406.486	3.987	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1	747467618	KVHORNRUFMQELE-UGKGYDQZSA-N	422.569	3.880	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2O)ccc1F	748345264	BRCGPOWFJXSOHE-UHFFFAOYSA-N	414.458	3.571	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc3c2CCCC3)cc1	748641973	YANAHXFNDSDYNT-UHFFFAOYSA-N	408.545	3.518	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCN1C1CCCC1	749258359	KULOPBBQHOEPEQ-ICSRJNTNSA-N	405.970	3.533	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc(C)c2Br)c1	751316912	DMMGESCLXLYGCO-LLVKDONJSA-N	400.294	3.511	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc(Br)c2C)c1	751317508	GOMRZZOUERTFSV-LLVKDONJSA-N	400.294	3.511	10	20	HHCD	
C[C@@H](CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCCC1	753155532	UWZMINHFURXFCJ-KRWDZBQOSA-N	424.536	3.821	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](C)c3ccc4ccccc4c3)nc12	753525554	WQVUXUCQQGLOLK-AWEZNQCLSA-N	419.437	3.612	10	20	HHCD	
CCc1ccc([C@@H](CN2CCOCC2)NC2CCN(c3ccc(OC)cc3)CC2)cc1	753659717	VEGVHDSZDYOPHJ-AREMUKBSSA-N	423.601	3.890	10	20	HHCD	
Cc1cnc([C@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	754161702	XKEJECQDGVCCLL-ILXRZTDVSA-N	420.554	3.807	10	20	HHCD	
COC(=O)CCN(CC(=O)c1cc(C)n(-c2ccccc2C)c1C)C1CCOCC1	754666768	ZGGBMAUZKMCFDU-UHFFFAOYSA-N	412.530	3.629	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1)C1CCCCC1	756930090	VEYJFMNDRJHYGD-FCHUYYIVSA-N	401.551	3.545	10	20	HHCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O	761580398	SVGNFWJQCUSFSX-SJCJKPOMSA-N	402.292	3.869	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	761645183	XXQVZNRBMNYGRW-UHFFFAOYSA-N	408.336	3.531	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3ccc(OC)cc3OC)CC2)cc1	764685439	VYAPZVHWNBGSPQ-LJQANCHMSA-N	413.562	3.575	10	20	HHCD	
CCOc1cc(CNC(=O)NCc2cccc(Br)c2O)ccc1OC	764780217	MHICYCZKSODGRZ-UHFFFAOYSA-N	409.280	3.561	10	20	HHCD	
COc1cc(CNC(=O)NCc2cccc(Br)c2O)c2ccccc2n1	764791507	NALSEICNAILKMZ-UHFFFAOYSA-N	416.275	3.711	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)C(C)(C)C(=O)N2	765285104	DMAYELVDEZNWCH-OAHLLOKOSA-N	411.521	3.867	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(-c3ncco3)c2)cc1F	766436114	GLZBZLGBLUGPBC-UHFFFAOYSA-N	424.476	3.890	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C/c2cncc(Br)c2)SC1=S	767340970	LJDYUGWQDCALOL-GHXNOFRVSA-N	415.334	3.690	10	20	HHCD	
O=S(=O)(/C=C\c1cccc(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1	768847670	NHKUOZUVEZSAGQ-RAXLEYEMSA-N	420.962	3.639	10	20	HHCD	
Cc1noc(CCC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)n1	769974394	VNUGVQGLGNUOGU-UHFFFAOYSA-N	419.840	3.937	10	20	HHCD	
C[C@@H]1C[C@@H](CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1	770846900	CLPIFCYFZNRSKD-WREPLZKASA-N	424.613	3.661	10	20	HHCD	
CCC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	771199329	ZARKUFROHRUSDM-UHFFFAOYSA-N	407.514	3.867	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Cl)cn2)cc1	772956840	XTLJCCFRGXWTNG-UHFFFAOYSA-N	412.877	3.562	10	20	HHCD	
COC1(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCCCC1	773238761	WWALQYWNMULRPN-CALCHBBNSA-N	407.530	3.588	10	20	HHCD	
COCC[C@]1(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CCOC1	773345662	UCYJZAFAUCVZAI-FQEVSTJZSA-N	421.335	3.782	10	20	HHCD	
COc1ccccc1NC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	773630778	VVNACSWOFFBQLD-KRWDZBQOSA-N	424.545	3.883	10	20	HHCD	
C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	776324044	HKFNMEFIOFIYCX-ROUUACIJSA-N	414.550	3.602	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](Cc3nc[nH]n3)c3ccccc3)c2C)cc1	779556212	KVDZFELWYKSHJC-QFIPXVFZSA-N	415.497	3.935	10	20	HHCD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)s1	782638965	VMWASSVMAZJELG-UHFFFAOYSA-N	421.522	3.958	10	20	HHCD	
Fc1cc(CNC2CC(c3ccccc3)C2)ccc1N1CCN(c2ncccn2)CC1	783549587	RGMREHMLPOPXQO-UHFFFAOYSA-N	417.532	3.978	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Br)c1C	784024753	RUQJYIJWLZNPHD-UHFFFAOYSA-N	405.292	3.840	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc2sc(C)nc2cc1OC	784026695	YMOIEMLRGFVJEX-UHFFFAOYSA-N	413.499	3.696	10	20	HHCD	
C[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCN1C(=O)OC(C)(C)C	786250447	GRBNVSVGZRYFLC-XLIONFOSSA-N	401.551	3.939	10	20	HHCD	
CCOC(=O)[C@](C)(CNC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccccc1	787531741	GXKQXEYVMGXKCN-XMMPIXPASA-N	405.498	3.740	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)C)c1ccc(N2CCOCC2)cc1	788236817	YAFBXGRDCSTFMW-PGRDOPGGSA-N	423.557	3.604	10	20	HHCD	
C[C@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccnn1C	791934064	DYVMNEUKSDOHCE-CMHHUMAZSA-N	421.569	3.767	10	20	HHCD	
CO[C@]1(C)CCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	792882237	PVKNCXLDMYTRDS-HYFFOGBASA-N	407.530	3.540	10	20	HHCD	
CC(=O)N1CCC[C@@H](CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	794023726	VQXCAPAUNXOWQT-SFHVURJKSA-N	401.938	3.665	10	20	HHCD	
Cc1ccc(F)cc1-c1nnc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1	797652085	DJARRJULRKNWFK-LLVKDONJSA-N	402.451	3.817	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCCOC[C@H]3CCOC3)cc2Cl)C1	799933125	FEVKYUGQFONOLH-IEBWSBKVSA-N	423.985	3.819	10	20	HHCD	
COCCN(CC(F)F)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799995431	JVLZLSACZKXPKG-CQSZACIVSA-N	403.901	3.999	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2Cl)C1	800048394	ADPUJPJOVZBGLG-AWEZNQCLSA-N	419.913	3.733	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2nccc(C)n2)c1	802610928	YWIRHUDYWOGZNZ-UHFFFAOYSA-N	418.497	3.925	10	20	HHCD	
O=S(=O)(c1c(Cl)ccc(F)c1F)N(Cc1ccccc1O)C[C@@H]1CCCO1	805009612	SXSUDVWHDICWFI-ZDUSSCGKSA-N	417.861	3.694	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](O)c1ccc(C(F)(F)F)cc1	805145793	XUUPLMXKHICQLQ-IBGZPJMESA-N	405.420	3.614	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H](C)CCC(C)(C)C	807277563	ZYHMIRVROBQNSZ-CYBMUJFWSA-N	413.356	3.834	10	20	HHCD	
C[C@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1	809585223	FGSVNNXERVSOPO-NVQXNPDNSA-N	418.629	3.707	10	20	HHCD	
C[C@H](NCc1cccc(Br)c1O)[C@@H]1CN(Cc2ccccc2)CCO1	809654863	RSHPJTCIINBMBI-KXBFYZLASA-N	405.336	3.534	10	20	HHCD	
COc1ccc(CS(C)(=O)=O)cc1NCc1ccc(N(C)C)cc1C(F)(F)F	809695817	UOMBNVLPNFCJQA-UHFFFAOYSA-N	416.465	3.937	10	20	HHCD	
CN(CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(N2CCOCC2)cc1	813735422	HZBGQJOCLLZHQQ-UHFFFAOYSA-N	405.901	3.776	10	20	HHCD	
COc1cc(O)c(CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)C3)cc1OC	814228784	LAWVMEQJHURLGO-UHFFFAOYSA-N	406.523	3.632	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3nnn(Cc4ccncc4)c3C)c2C)c1	820465721	OMVVRZWJHZCURH-UHFFFAOYSA-N	400.486	3.998	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1ccccc1OC)c1nccn1C	916228276	KIOBYBRUYWOMFR-JOCHJYFZSA-N	421.545	3.816	10	20	HHCD	
CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	918083317	VKHHVKSQCIDARG-SFHVURJKSA-N	418.335	3.597	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)nc1	918210124	RWZCOUARPYIUDK-HXUWFJFHSA-N	421.545	3.551	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cnc(-c2ccccc2)nc1	920937316	FCHCLSHQSGCDSU-UHFFFAOYSA-N	417.513	3.674	10	20	HHCD	
O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	1115958416	AQUWEDXFQPETRU-HSZRJFAPSA-N	418.541	3.944	10	20	HHCD	
CC(C)[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1	97394709	DTUYXGTZTSOECD-QFIPXVFZSA-N	421.545	3.938	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c(C)n1-c1ccccn1	108161147	NLVMGEYSHLTRQU-IAGOWNOFSA-N	405.502	3.750	10	20	HHCD	
C[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccc(N2CCOCC2)cc1	109180965	SWTYIILJHQGDRG-IBGZPJMESA-N	404.514	3.519	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3nncn3-c3ccccc3)c2C)cc1	195571067	VDRUFRSSXLPWMS-UHFFFAOYSA-N	401.470	3.613	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)c(C)n1-c1ccc(F)cc1	303173933	XDOQUWJDDKYFGQ-GOSISDBHSA-N	403.523	3.663	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3ccccc3Cl)cc2F)CC1	303310044	OUGJVZXXZGVQPB-UHFFFAOYSA-N	404.917	3.620	10	20	HHCD	
Cc1ccccc1[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	726104166	QFVNMAKJSIHNAE-IBGZPJMESA-N	411.521	3.794	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3CCN(Cc4ccccc4)CC3)CC2)cc1	726562430	KBVQQRRGFPHBQO-UHFFFAOYSA-N	407.558	3.692	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(-c4ccc(F)cc4)c3C)CC2)cc1	726563668	QVIPQJQWGTUUEO-UHFFFAOYSA-N	408.477	3.727	10	20	HHCD	
Cc1ccccc1C1(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	726618426	IYASJIHVIOSPGE-UHFFFAOYSA-N	411.521	3.626	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1	726626297	AITBABYFZSMJLG-NTEUORMPSA-N	419.325	3.954	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)cc1	727037196	KJLVJNWLVGKXHQ-UHFFFAOYSA-N	424.545	3.846	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cc3c(nc2O)CC(C)(C)CC3=O)C2CC2)cc1	730277761	ZPOMBERFISQNGG-UHFFFAOYSA-N	407.514	3.813	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)ccc21	730904586	UBQGUPMGJFHRKC-LJQANCHMSA-N	407.436	3.621	10	20	HHCD	
CCC[C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	733254341	NQVSMUYAFFNSIQ-NRFANRHFSA-N	420.619	3.924	10	20	HHCD	
O=C(Cc1ccc(Cl)cc1Br)NCc1ccc(N2CCOCC2)cc1	733255094	FNNYLDIFVQYBBB-UHFFFAOYSA-N	423.738	3.798	10	20	HHCD	
O=C(CN1CCN([C@H]2CCC[C@@H]2O)CC1)Nc1ccc(N=Nc2ccccc2)cc1	734485948	FUWWJHDRTHQXCU-VXKWHMMOSA-N	407.518	3.572	10	20	HHCD	
C[C@H](NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C)c1ccc(N2CCOCC2)cc1	735680492	FWUMJJBTGVMUMU-FBBABVLZSA-N	403.567	3.725	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C2(O)CCC2)c(C)n1-c1ccc(OC(F)(F)F)cc1	740232853	PEZOFTJDXFACSB-UHFFFAOYSA-N	411.376	3.634	10	20	HHCD	
CC(C)=CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	742583839	PSYCRKJGARRCDW-IBGZPJMESA-N	421.541	3.597	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@@H](O)COCc1ccc(OC)cc1	743872044	PHMFGBQOGJTNFC-GOSISDBHSA-N	424.335	3.563	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCN(C(C)C)C(C)C	745267655	VPXCWYOLMNZHJF-UHFFFAOYSA-N	400.361	3.805	10	20	HHCD	
O=C(NCc1ccccc1O)c1cccc(NC(=O)c2ccc(Br)o2)c1	748345447	LOBZWJHYYWIJPT-UHFFFAOYSA-N	415.243	3.930	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(OCC3CCCCC3)cc2)c1	748358787	SROXPHHAGHACGT-UHFFFAOYSA-N	418.515	3.975	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3c(-c4ccncc4)noc3=O)c2C)cc1	749358431	PYMCGVDSERZHFW-UHFFFAOYSA-N	418.453	3.587	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCSCc2ccccn2)cc1	750876085	XXHKLEUPXNFLJC-QFIPXVFZSA-N	413.587	3.979	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1csc2ccc(Cl)cc12	751116070	BHDKGVXSOZSDPF-UHFFFAOYSA-N	422.959	3.870	10	20	HHCD	
CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	751813214	KJQMFEAKEBYBPY-SFHVURJKSA-N	406.571	3.833	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C(C)(C)Cc3ccccc3OC)CC2)cc1F	753737660	BIFNZVJYYOLRFB-UHFFFAOYSA-N	400.494	3.760	10	20	HHCD	
COc1ccc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1F	754044526	BYQCVLYSWYIDTP-UHFFFAOYSA-N	419.305	3.652	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c2C)c1	754652229	MBKXTHPDOGMSCD-DOTOQJQBSA-N	422.616	3.752	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1	754786938	VTFDPCMWFMFZKF-LJQANCHMSA-N	424.501	3.731	10	20	HHCD	
O=C(Nc1cnn(-c2ccccc2F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	755836017	DRXWASGKUNJMEU-SFHVURJKSA-N	410.449	3.930	10	20	HHCD	
C[C@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(N2CCCCC2)cc1	756049770	KNEFRAXJQUAWAM-SFHVURJKSA-N	407.624	3.920	10	20	HHCD	
CN(C)Cc1ccsc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	756097093	AGJCYLHNDCOVCF-HNNXBMFYSA-N	409.502	3.810	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccccc2Br)C1)c1cc([N+](=O)[O-])ccc1O	756570804	XWZJUYDQCFRFHX-STQMWFEESA-N	406.280	3.992	10	20	HHCD	
C[C@@H]1C[C@@H](NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c2c(O)ccc(F)c21	756689149	SALBEPFZPATHSX-DNVCBOLYSA-N	418.534	3.770	10	20	HHCD	
C[C@H](N[C@@H](CO)C[C@@H](O)c1ccccc1)c1cc(Br)cc(Cl)c1O	756771317	VDVFVIDGCNVPEN-FABXCBLPSA-N	414.727	3.943	10	20	HHCD	
CCCC[C@@H](CC)CNC(=S)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	758919140	DINYQJPBRBXJDH-QGZVFWFLSA-N	423.623	3.925	10	20	HHCD	
Cc1cc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1Br	759594915	OMRRCBPELDBMAC-GXWOQWCDSA-N	420.259	3.752	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc(C4CC4)cc3)CC2)cc(OC)c1OC	760004900	IENCYDBPPJNGBF-UHFFFAOYSA-N	411.502	3.944	10	20	HHCD	
CCN(Cc1ccccn1)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	764293601	ORRDCGYKZWTYDZ-MRXNPFEDSA-N	413.477	3.706	10	20	HHCD	
C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765278759	BHVOJELCGDNNMM-MHECFPHRSA-N	417.532	3.965	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NCc1cccc(Br)c1O	765734990	BHAWGAVKAXVIIP-ZDUSSCGKSA-N	413.312	3.561	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(-c2nc[nH]n2)c1	767711098	FMDQBBCXZLSHJX-UHFFFAOYSA-N	401.264	3.602	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1	768552994	OAQPGQVXSLZARO-GOSISDBHSA-N	412.603	3.584	10	20	HHCD	
COC(=O)COc1ccc([C@@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	768602838	BNNGNXBCSYNOSO-MRXNPFEDSA-N	407.470	3.532	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	772462416	JOWOHTPKXKTMNZ-SJLPKXTDSA-N	404.555	3.648	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC(=O)c1ccc(Br)cc1	772540587	IVEWCTDUNIMZCX-ZDUSSCGKSA-N	420.303	3.961	10	20	HHCD	
Cn1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(-c2ccccc2)n1	772803233	QKGSQIFVAOXMFV-IBGZPJMESA-N	424.932	3.841	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C	773741779	YGYSOWCZJZEUQE-MIGBEJBISA-N	418.534	3.713	10	20	HHCD	
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	773860043	YAPWUCYGGPEFHA-INIZCTEOSA-N	410.518	3.553	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCCc2ccc(F)cc2)cc1)C1CCCCC1	774714724	URHXAFBKRQPRKZ-UHFFFAOYSA-N	411.521	3.570	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1F	775049255	UVVCXKNTPWNNFF-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
C[C@H](CCCOc1ccccc1C(N)=O)NCc1cccc(Br)c1O	775151015	DHCORKMPXCAGGH-CYBMUJFWSA-N	407.308	3.591	10	20	HHCD	
COCc1ccccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1	775209548	YWTYTDJBEOVXBO-UHFFFAOYSA-N	417.512	3.716	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1	778674974	SVJMYTWEXBONSB-OFNKIYASSA-N	404.558	3.773	10	20	HHCD	
CCC(CC)[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCO1	778754770	WCYCGQXEEJZZBQ-DENIHFKCSA-N	403.567	3.947	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(CS(C)(=O)=O)cc1	782737363	BNEBXKZUQHDJCK-UHFFFAOYSA-N	403.548	3.740	10	20	HHCD	
COC[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C[C@@H](C)O1	783968198	OAPLGDOPWSMEJM-QAPCUYQASA-N	409.482	3.710	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(-c2cccs2)cs1	784023361	BUDXAHGDEJKBFC-UHFFFAOYSA-N	401.513	3.955	10	20	HHCD	
COc1cccc(O)c1CNc1ccc(N2CCN(C)CC2)c(Br)c1	786836335	LYVBRKVCIADGJL-UHFFFAOYSA-N	406.324	3.527	10	20	HHCD	
COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(OCCOC(C)C)c1	788697095	MTCYDBUOZDFZDG-UHFFFAOYSA-N	400.519	3.837	10	20	HHCD	
Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)cc(N2CCN(C(C)C)CC2)c1	790995932	SPMJFHLUCUTEBU-UHFFFAOYSA-N	421.633	3.889	10	20	HHCD	
CCOC(=O)CSc1nnc(NCc2ccc(N(C)C)cc2C(F)(F)F)s1	794952195	GOWUDAAKWKFMKB-UHFFFAOYSA-N	420.482	3.890	10	20	HHCD	
CCn1ncc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1C(F)(F)F	799237204	SANHMDUSSOUBCR-UHFFFAOYSA-N	413.469	3.797	10	20	HHCD	
CCc1[nH]nc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1[N+](=O)[O-]	800571473	JZUPKYYRFVBHTL-LBPRGKRZSA-N	405.886	3.700	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)N2CC[C@](F)(CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	802011220	MKXXAAOJNOJSCS-QVKFZJNVSA-N	410.436	3.673	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N(Cc1ccc(-n2cncn2)cc1)C1CC1	802187511	JZXDAKPZLAICAO-UHFFFAOYSA-N	414.513	3.518	10	20	HHCD	
CSc1cccc(F)c1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	805757284	YVTSBUKKYDBXJA-UHFFFAOYSA-N	417.550	3.756	10	20	HHCD	
CC(C)(C)c1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1	807108063	QOVFRWHBIVNCSB-QGZVFWFLSA-N	402.926	3.528	10	20	HHCD	
Cc1cccc([C@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)C(C)C)c1	809511032	KPMALZJRPNDRLH-GOSISDBHSA-N	401.488	3.910	10	20	HHCD	
O[C@H](c1ncc[nH]1)C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1	809654766	OILPAEUGPZUOSE-DEOSSOPVSA-N	402.542	3.918	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCO1	812442936	KHBSCOQYGAUVGC-SFHVURJKSA-N	422.485	3.585	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccccc4C)CCCC3)cc2)CC1	813207155	ZWTFPLPQWWFUPI-UHFFFAOYSA-N	419.569	3.792	10	20	HHCD	
O=C1CCCCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	813414167	YMALAHXYVMIVAP-OAHLLOKOSA-N	412.452	3.698	10	20	HHCD	
C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)NCc1ccc2c(c1)CCCN2C	813612527	ABHVVSJWHALKJQ-KRWDZBQOSA-N	418.582	3.952	10	20	HHCD	
CCOC(=O)CN1C(=O)C(F)(F)c2cc(NCc3c(O)cccc3Cl)ccc21	815143002	CAQIZFJOQADMCW-UHFFFAOYSA-N	410.804	3.659	10	20	HHCD	
Fc1cccc(CC2(NCc3ccc(N4CCOCC4)c(F)c3)CCOCC2)c1	815149917	GDNFBEGGPKWDIX-UHFFFAOYSA-N	402.485	3.683	10	20	HHCD	
COC(=O)c1ccc(CNC(=O)[C@@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	821958479	IYAQLHPNLKKCEF-LJQANCHMSA-N	423.557	3.600	10	20	HHCD	
O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1ccc(N2CCOCC2)cc1	912754457	HOAQOSNYZQBLND-QGOAFFKASA-N	413.271	3.630	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c(C)n1-c1ccccn1	914907152	RQVAWQDKTQCTKV-QGZVFWFLSA-N	409.461	3.832	10	20	HHCD	
CCOc1ccc(OC(C)(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	917709678	UWTBYPYVJMQUNJ-UHFFFAOYSA-N	416.493	3.535	10	20	HHCD	
Cc1ccc([C@H](C)N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1	918023613	HGWXVCIXZWSAAO-IBGZPJMESA-N	413.537	3.588	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(-n3cncn3)nc2)c(C)n1-c1ccc(Cl)cc1	918581948	QNXXRBYKDGETNX-UHFFFAOYSA-N	406.877	3.653	10	20	HHCD	
C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	920870454	FUMJDHARKIMKDW-OAQYLSRUSA-N	422.573	3.502	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)CN(CC)c2ccc(OC)c(OC)c2)cc1	921060932	FGHYKOOSXOOHML-UHFFFAOYSA-N	413.518	3.651	10	20	HHCD	
CCN1C(=O)/C(=C\c2cc(Br)c3c(c2)OCCCO3)SC1=S	921260623	CGTFMPZMDMOEOU-XYOKQWHBSA-N	400.319	3.832	10	20	HHCD	
CCOc1ccc(N2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)cc1	1117324097	YFGAMZNLGPAXAY-UHFFFAOYSA-N	416.877	3.528	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	1337155428	FXBRBUQNKXKRPB-NQIIRXRSSA-N	411.521	3.618	10	20	HHCD	
COc1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc(Cl)c1OC	1343445876	FUNZNGGADVFEQG-UHFFFAOYSA-N	404.894	3.941	10	20	HHCD	
COc1cc(CNC(=O)NCc2ccc3c(c2)CCCN3C)cc(Cl)c1OC	1348381931	JQYBMPMCDMHKQD-UHFFFAOYSA-N	403.910	3.739	10	20	HHCD	
CC1=C(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)CCO1	1843141565	DEBSXVOCTTWKTG-UHFFFAOYSA-N	419.525	3.605	10	20	HHCD	
CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1	21958461	QTMQDZJQRYNIET-KRWDZBQOSA-N	419.481	3.638	10	20	HHCD	
CCc1cc2c(CN3CCCN(c4ccc(OC)cc4)CC3)cc(=O)oc2cc1O	97494620	CCLRNEZVUIWRTH-UHFFFAOYSA-N	408.498	3.782	10	20	HHCD	
Cc1ccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C	108283204	OUNHXVZHQCANIX-HDICACEKSA-N	400.494	3.751	10	20	HHCD	
O=[N+]([O-])c1cnc(NCc2ccc(N3CCC(CO)CC3)cc2)c(Br)c1	301513645	DPYWNFBQMYKHRJ-UHFFFAOYSA-N	421.295	3.573	10	20	HHCD	
CCCNC(=O)C1(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CCCCC1	303149542	FEFIDXDBKRYCSK-UHFFFAOYSA-N	413.562	3.863	10	20	HHCD	
CCOc1ccccc1OCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565387	FRZHBCJTPGRCHL-UHFFFAOYSA-N	420.456	3.851	10	20	HHCD	
COCCCOc1cccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1	727864200	UFEWPFWKVWRJLE-XMHGGMMESA-N	414.552	3.941	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)Cc3ccc(CN(C)C)cc3)CC2)cc1	729610190	DYPXNKTYBLPBQK-UHFFFAOYSA-N	410.562	3.567	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2F)CC1	730133197	LGMQPPTUFQWXBZ-UHFFFAOYSA-N	415.469	3.506	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)Cc3ccc(F)cc3)cc2F)CC1	730194534	KLYZOWMBEGZUBI-QGZVFWFLSA-N	401.501	3.602	10	20	HHCD	
COC1CCN(C2(CNC(=O)c3cc(C)n(-c4ccccn4)c3C)CCCC2)CC1	730791583	YRXPARQSXBAGOS-UHFFFAOYSA-N	410.562	3.643	10	20	HHCD	
COC(=O)c1ccc2c(c1)CN(C(=O)NCc1ccc(N3CCC(C)CC3)cc1)C2	731048530	MPBKNKGCBDNDHN-UHFFFAOYSA-N	407.514	3.935	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1-n1cnnn1	731109249	QJIRRQZHZQVUER-UHFFFAOYSA-N	405.506	3.529	10	20	HHCD	
Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C(=O)NC(C)C	731281224	ARDZZCJEKWSXCG-SFHVURJKSA-N	424.545	3.853	10	20	HHCD	
Cc1cc(C(=O)Nc2cccn(C)c2=O)c(C)n1-c1cccc(Br)c1	733877952	CKVPQZNSMPYKTP-UHFFFAOYSA-N	400.276	3.808	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1O	745819535	AJCGTBNVUDSTDR-OAHLLOKOSA-N	420.469	3.609	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Oc1cccc(F)c1	745880069	XYEBHOXXDMVYSL-OXQOHEQNSA-N	402.466	3.689	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1	746273243	VSFNBSDUCKAXRR-UHFFFAOYSA-N	423.904	3.687	10	20	HHCD	
CC[C@H]1c2ccsc2CCN1C(=O)CN(CCOC)c1ccc(OC)c(OC)c1	746474127	BPFYWZSUSXNAKL-SFHVURJKSA-N	418.559	3.754	10	20	HHCD	
COC[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccco1	746761314	LOCBVYYDTBWNMC-KRWDZBQOSA-N	409.433	3.537	10	20	HHCD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	747378648	NWLRRFXBDVEUQD-MWTRTKDXSA-N	418.484	3.928	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)cc1	748962256	ADIJQAJHUGHYMY-UHFFFAOYSA-N	424.589	3.623	10	20	HHCD	
COC(=O)CC1(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CCOCC1	749506519	SBBSJMJSJFGYFN-UHFFFAOYSA-N	418.921	3.519	10	20	HHCD	
C[C@@H]1CN(c2ccc(NC(=O)COc3ccc(N4CCCC4)cc3)cc2)C[C@@H](C)O1	749791047	LRIQDPJDAPYRDQ-RTBURBONSA-N	409.530	3.918	10	20	HHCD	
CC(C)(C)c1ccccc1S(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1	751238065	WUODMCYOXIOQSL-UHFFFAOYSA-N	416.587	3.671	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@H](OC)C2)sc(C)c1-c1ccccc1	752320145	GOVXIPZPTHQECC-INIZCTEOSA-N	402.516	3.559	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccccc3-n3nccc3C)CC2)cc1	753023000	OYUOABNGPIXVRB-UHFFFAOYSA-N	405.502	3.934	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1	756382197	AALWKVKJJASIMR-KURKYZTESA-N	412.530	3.639	10	20	HHCD	
C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1cc(Br)c(F)cc1O	756430124	ICSMAZCCINQITP-CQSZACIVSA-N	423.326	3.977	10	20	HHCD	
CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2cc3c(cc2O)CCCC3)CC1	756514627	IOVUOFKPHOBUHJ-GOSISDBHSA-N	407.558	3.790	10	20	HHCD	
C[C@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)c1ccc2ccccc2c1O	756577607	ZBIGOIKGVYBMDS-IBGZPJMESA-N	409.574	3.921	10	20	HHCD	
Cc1cc(C(=O)N(CCO)CCOCC(F)(F)F)c(C)n1-c1ccc(Cl)cc1	757120420	LYZPHWMQXVVRSN-UHFFFAOYSA-N	418.843	3.761	10	20	HHCD	
COc1ccc(N[C@@H](C)c2ccc(Br)cc2O)cc1-n1nnnc1C	757588719	BTYLUHNKFFFZDN-JTQLQIEISA-N	404.268	3.621	10	20	HHCD	
Cc1nc([C@H](C)OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)no1	759552822	XHBPLRNCWWEELK-AVMBBCFPSA-N	423.541	3.725	10	20	HHCD	
O=C(Nc1cccc(F)c1)C1CCN(C(=O)NCCCSc2nccs2)CC1	759601476	KFTXMPAKHBHSOE-UHFFFAOYSA-N	422.551	3.825	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](C)[S@@](=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1	759858543	QKULMLQESVUXEG-WNNBVUDTSA-N	424.513	3.721	10	20	HHCD	
CC[C@H](C)n1ncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C1CC1	760383259	YWQIKMVJWONZKA-HNNXBMFYSA-N	414.525	3.762	10	20	HHCD	
Cc1ccc(O)c(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1	761991119	XTQKTYOOEVTGHY-UHFFFAOYSA-N	400.475	3.930	10	20	HHCD	
CCCSc1nsc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1	762954721	WEDDKTODMQVWHN-CYBMUJFWSA-N	407.565	3.760	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc([N+](=O)[O-])c2nsnc2c1	763197744	PZTDHIAOHTYNCC-UHFFFAOYSA-N	417.410	3.562	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H](O)COc3cccc4ccccc34)CC2)cc1	765473300	WMFWMUALPMBOCF-JOCHJYFZSA-N	406.526	3.847	10	20	HHCD	
CC(C)(CCC(=O)NCc1cccc(Br)c1O)NC(=O)OC(C)(C)C	765763401	ALEYEFBPTBYRBD-UHFFFAOYSA-N	415.328	3.854	10	20	HHCD	
CCSc1ccccc1[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765977312	DTHVTLMDJLIZEA-KRWDZBQOSA-N	404.601	3.884	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)c2)CC1	767382104	MEQRSRFNVVXAII-MRXNPFEDSA-N	424.570	3.902	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H]2c2nncn2C)c(C)n1-c1ccc2c(c1)CCC2	767768558	MAVWTVREONILEY-JOCHJYFZSA-N	403.530	3.731	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C2	768103431	HIMIKGFUMQTGNH-SFHVURJKSA-N	408.454	3.709	10	20	HHCD	
CCOc1ccc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(O)c1	768311913	LDXHSNUPPUKPJR-UHFFFAOYSA-N	408.420	3.768	10	20	HHCD	
CN(C)c1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1	768791957	MEJNFMVBKYOHAS-MRXNPFEDSA-N	417.351	3.761	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NC3CCN([C@H]4CCCC[C@H]4O)CC3)c2C)c1	769316900	PHVASWLGAFRDTG-BJKOFHAPSA-N	409.574	3.900	10	20	HHCD	
Oc1c(Br)cccc1CN1CCn2c(CCc3ccccc3)nnc2C1	769489290	NIXHQNYIIUDWFW-UHFFFAOYSA-N	413.319	3.547	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@]3(C2)OCc2ccccc23)c1O	769775159	CEBSWBTZXJGTQN-RUZDIDTESA-N	401.462	3.960	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3c(C)cc([N+](=O)[O-])cc3Cl)cc2)CC1	770146816	UWKBSRWLJJZCDG-UHFFFAOYSA-N	402.882	3.837	10	20	HHCD	
COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)nn1C	772638165	KFDMTJRHIIHSGK-UHFFFAOYSA-N	413.499	3.598	10	20	HHCD	
Cc1ccccc1NC(=O)Cc1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)cs1	772773754	DQQQTBOCSMWQDD-CLFYSBASSA-N	424.478	3.801	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1-c1ccc(OC(F)F)cc1	773995185	RTJOLIVMZVQDSS-ZDUSSCGKSA-N	415.444	3.734	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1	774811568	NYABYAIHGUUHKA-UHFFFAOYSA-N	408.420	3.509	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2ccc3c(c2)COC3)nc1-c1ccccc1	775207141	HHNYUMCRIQWAAU-UHFFFAOYSA-N	415.496	3.600	10	20	HHCD	
C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1)c1ccc(N(C)C)cc1	776238293	IMBXKFUDTACKIX-PGRDOPGGSA-N	408.546	3.808	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(C4CCCCC4)n3)CC2)cc1F	776487021	DTRFKJAFHMSMEB-UHFFFAOYSA-N	400.498	3.807	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C3CCN(C(=O)OC)CC3)ccc21	776976660	BXYSBYZFIRCGRT-MRXNPFEDSA-N	415.534	3.501	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F	779496478	AKSKNYZNETZARI-KXFIGUGUSA-N	408.376	3.605	10	20	HHCD	
CC(=O)N[C@H]1Cc2ccccc2N(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	780778454	KGYOWVUENPZPDB-FQEVSTJZSA-N	408.502	3.653	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccc(Cl)cc3F)C(C)C)nc12	782099815	ABEZITBCQDEGMN-GOSISDBHSA-N	420.872	3.891	10	20	HHCD	
CC(F)(F)c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	782104347	CMTLSXYWKWTBMG-SFHVURJKSA-N	418.440	3.650	10	20	HHCD	
COC(=O)c1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1C	784108229	LBUFKACZLNTKTF-UHFFFAOYSA-N	409.486	3.526	10	20	HHCD	
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1	784109275	UMXMGMQIVQYVDJ-UHFFFAOYSA-N	408.502	3.698	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc2c(c1)CCC2	785193349	XNAXRUGWEURSMS-UHFFFAOYSA-N	417.303	3.631	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3cccc(F)c3)cc2Cl)C1	786666883	QUZMONTYOZHPSO-HNNXBMFYSA-N	417.912	3.648	10	20	HHCD	
C[C@@H]1[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCN1C(=O)OC(C)(C)C	787142494	WFRREUPTBONCGF-NZSAHSFTSA-N	418.534	3.545	10	20	HHCD	
CCOCc1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	787520108	PIRSKOCAVUDBDK-UHFFFAOYSA-N	424.541	3.906	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)s1	793206559	JIHCUZJHDPHIKD-UHFFFAOYSA-N	406.495	3.916	10	20	HHCD	
O=C1/C(=C/c2c(F)ccc(Br)c2F)NC(=S)N1Cc1ccccc1	800720689	FUFHDTQZKLFYLR-ZSOIEALJSA-N	409.255	3.985	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CNC(=O)NCc1ccc(Cl)cc1	801548914	WRHFRAJRKVUIDK-UHFFFAOYSA-N	403.910	3.674	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1ccncc1	803677370	NOVAAAUVEZOOFH-JOCHJYFZSA-N	408.546	3.734	10	20	HHCD	
O=C(NCCc1cc(F)cc(F)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1	804031981	ZVXSHLLGHWPCOW-UHFFFAOYSA-N	416.468	3.691	10	20	HHCD	
Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCC2	806496117	POVHOSLZGZDYLY-OFNKIYASSA-N	420.557	3.574	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC2(CCOCC2)CC1	806877890	IEEKWINOIWXZKZ-QGZVFWFLSA-N	423.504	3.859	10	20	HHCD	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807835241	BBISDXHVGNRDCK-UHFFFAOYSA-N	410.257	3.546	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cn(C)nn2)c(C)n1-c1ccc(Cl)c(Cl)c1	808659130	AAGHBAKYFSQYDF-UHFFFAOYSA-N	407.257	3.569	10	20	HHCD	
COc1cc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1	811786942	ZSSVXJRMCPHGDB-CYBMUJFWSA-N	402.457	3.589	10	20	HHCD	
O=C(N[C@H]1CCN(c2ccccc2F)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	813854721	GXPRKJJQUSXNOR-RBUKOAKNSA-N	413.493	3.501	10	20	HHCD	
CC(C)O[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1	815730616	MBBYQDLBDHUOSW-QFIPXVFZSA-N	400.494	3.569	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)C1	817642201	SWCBCAALAGVKGX-JKSUJKDBSA-N	404.507	3.597	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC1CCN(CCc2ccccc2)CC1	915723302	YWSOWIOFMNHTBG-UHFFFAOYSA-N	406.574	3.793	10	20	HHCD	
CCOc1ccc(OCC)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	916671952	XRZKNODNAHQPRM-UHFFFAOYSA-N	417.481	3.781	10	20	HHCD	
O=C(Nc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1)C1CC1	916673950	XMQXUHZNKINZJX-HXUWFJFHSA-N	409.486	3.954	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccnc(N4CCCCC4)c3)CC2)cc1	918010648	CNKNATFNGIOITH-UHFFFAOYSA-N	423.561	3.502	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)C2CC2)cc1	918457974	YTQKKNRJZJDKKK-UHFFFAOYSA-N	421.419	3.623	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1Cc1ccccc1	920882426	QHKMPAMYWQTVBI-GOSISDBHSA-N	404.514	3.567	10	20	HHCD	
COc1ccc(C[C@H](C)N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	1320976187	QWSPEWQTWPSSGZ-OALUTQOASA-N	411.546	3.865	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ccc(F)cc2n1	1321941728	MHOFRZYPWWVEIR-UHFFFAOYSA-N	407.489	3.821	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1COc2ccc(F)cc2C1	1329036119	IJXDIQWOLTYEDF-LPHOPBHVSA-N	418.896	3.517	10	20	HHCD	
C[C@@H](NC(=O)NCCc1c(F)cccc1Cl)c1ccc(N2CCOCC2)cc1	1340412070	VDISMCWCFCUHJY-OAHLLOKOSA-N	405.901	3.919	10	20	HHCD	
O=C(/C=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1786914183	CNCORWYENDLPTE-CMDGGOBGSA-N	419.437	3.547	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](C)OC(C)C)C2)cc1	1844330139	WIKUECZYRTUYRP-HXUWFJFHSA-N	423.557	3.725	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1	104967821	RLPWITVIRODKDE-UHFFFAOYSA-N	416.905	3.571	10	20	HHCD	
COc1ccc(N(Cc2ccc(S(=O)(=O)N(C)C)o2)Cc2cccs2)cc1	110632490	RXXHSOJBOIHPCH-UHFFFAOYSA-N	406.529	3.807	10	20	HHCD	
CCCCCn1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)c2ccccc2c1=O	437023535	INOSOKRBZFGGDW-UHFFFAOYSA-N	420.513	3.692	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccc(F)cc2)CC2CC2)n(C)c2ccccc12	569379025	LZBQDHFHKUPYOQ-UHFFFAOYSA-N	407.489	3.681	10	20	HHCD	
CN(CCCNC(=S)Nc1ccc(Sc2nncn2C)cc1)c1ccccc1	726452889	ZCGBCNKVKBESCB-UHFFFAOYSA-N	412.588	3.779	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)CC2)cc1	726611974	VQSIMNPEUUZOTP-INIZCTEOSA-N	422.529	3.609	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCCOc3ccc(C(C)=O)cc3)CC2)cc1	726627384	IBTWURSMHCXKLY-UHFFFAOYSA-N	410.514	3.842	10	20	HHCD	
CCCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC	728698097	LLQLNLWAPNUSBW-WJDWOHSUSA-N	400.862	3.989	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCCC(C)(C)C)cc2F)C[C@@H](C)O1	729025656	AKFRIWGGTZPMKD-IAGOWNOFSA-N	422.541	3.815	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc4cnn(CC)c4c3)cc2F)CC1	730382442	FMSDUFZLJBHBDV-UHFFFAOYSA-N	424.524	3.659	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@H](N2CCCCC2)C1	730910449	ITFRAYYGSPSAPP-IBGZPJMESA-N	422.520	3.527	10	20	HHCD	
CCc1cc(=NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nc(-c2ccncc2)[nH]1	731662566	SYDTWBAHBWMORD-IAGOWNOFSA-N	421.520	3.888	10	20	HHCD	
O=C(NCCS(=O)(=O)NCC1CCC1)Nc1ccc(N=Nc2ccccc2)cc1	731750782	MMMBXSIJFJWSQM-UHFFFAOYSA-N	415.519	3.943	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(OCCN3CCCC3)cc2)c(C)n1-c1ccccn1	732151476	VATFWMFLHZBHMG-UHFFFAOYSA-N	418.541	3.894	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2sc(COc3ccc(F)cc3)nc2C)c1	734016583	UEZFFKIMLIERMA-UHFFFAOYSA-N	402.447	3.814	10	20	HHCD	
CN(c1ccc(CNC(=O)NCc2n[nH]cc2Br)cc1)C1CCCCC1	738462611	XMOUMNYKQCAIEX-UHFFFAOYSA-N	420.355	3.941	10	20	HHCD	
COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-]	742802063	WHQFONVXBVEHCL-CQSZACIVSA-N	421.400	3.604	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	743339763	YDBFYMJNPJZITI-MOPGFXCFSA-N	418.534	3.689	10	20	HHCD	
O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCc1c(O)ccc2c1CCCC2	743716555	RQFLVAZFBLITJG-UHFFFAOYSA-N	409.482	3.712	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1	743889343	LVGBJGMMPUBFHU-UHFFFAOYSA-N	413.493	3.810	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(F)c1	745397095	XSYMOVRNVYIWGS-OAQYLSRUSA-N	408.477	3.732	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1OCc1cscn1	746805001	DJVGOADFEYBOSH-UHFFFAOYSA-N	415.490	3.866	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)ccc21	746889375	LMWQAMUZTQTHRF-UHFFFAOYSA-N	422.554	3.517	10	20	HHCD	
COCCOc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	748702972	MXGFZXKRVUJUNA-MRXNPFEDSA-N	418.921	3.693	10	20	HHCD	
CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NCc1ccc(N(CC)CC)cc1	752150808	UPGMXWWBAYLXKK-IBGZPJMESA-N	417.575	3.585	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cnc2ccsc2c1	752192422	VYENUVPJSVUWPE-UHFFFAOYSA-N	417.493	3.949	10	20	HHCD	
C[C@H](NC(=O)c1cc(O)cs1)c1ccc(CNC(=O)c2cc(O)cs2)cc1	753502408	GTGYPAFJLVJLOY-NSHDSACASA-N	402.497	3.642	10	20	HHCD	
O=S1(=O)CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@@H]2CCCC[C@@H]21	753546876	LYRNJXBAEVZAEL-IRLDBZIGSA-N	401.528	3.513	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)cc1F	753739612	UAVSXYYVTLXGRJ-UHFFFAOYSA-N	414.868	3.840	10	20	HHCD	
COCCOC[C@@H](C)N[C@@H](C)c1cc(Br)cc(Br)c1O	756732071	GTBHLJVTYMIFLX-ZJUUUORDSA-N	411.134	3.619	10	20	HHCD	
C[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)c(Cl)c1O	756760838	OTPUUAKOXNEDIE-SNVBAGLBSA-N	409.360	3.732	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Br	757008888	PSJMOEFEXLTXHK-UHFFFAOYSA-N	417.347	3.896	10	20	HHCD	
COc1cc(N2CCN(C(=O)C(C)(C)C3CCCCC3)CC2)cc(OC)c1OC	759236447	BVTSGVABVKYNQS-UHFFFAOYSA-N	404.551	3.968	10	20	HHCD	
C[C@@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCS1(=O)=O	759998912	KEMNIBAOXZITDV-MRXNPFEDSA-N	400.504	3.550	10	20	HHCD	
CCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	760054101	SYTICYSCMUNRPS-RBUKOAKNSA-N	421.335	3.780	10	20	HHCD	
COc1cccc(S(C)(=O)=O)c1NNC(=S)Nc1cc(Cl)cc(Cl)c1	767425597	LFBDJEHLIZLIFM-UHFFFAOYSA-N	420.343	3.719	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1	767778219	ZYNMKBNTHQGVLP-HNNXBMFYSA-N	418.335	3.846	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(-c3ccccc3)cc2F)c1	769693809	JUGCRRDWEUEIGL-UHFFFAOYSA-N	400.431	3.822	10	20	HHCD	
O=C(CCC(=O)c1cccs1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771058371	MZSBWBBOHUMSGI-MRXNPFEDSA-N	406.935	3.851	10	20	HHCD	
O=C(C[C@@H](O)c1cccc(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	772720789	UBEGPVPHNWTDOB-QFBILLFUSA-N	408.420	3.636	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2nc(Cc3cccc(Br)c3)no2)c1	775370558	HTWIPOLIRSLFKQ-LBPRGKRZSA-N	418.291	3.988	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)nn1-c1ccc(Cl)cc1Cl	776490466	HNBVCPJTOYKKFG-UHFFFAOYSA-N	406.269	3.871	10	20	HHCD	
Cc1cc(C(=O)OC2CCN(C=O)CC2)c(C)n1-c1ccccc1Br	779238902	VORWOOPDZSINMM-UHFFFAOYSA-N	405.292	3.634	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(Br)ncc3Cl)CC2)cc1	779609347	HYVHHNCPTRKWJW-UHFFFAOYSA-N	424.726	3.859	10	20	HHCD	
Cc1cccc2c1N(C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)CC2	782420607	PKNBKWXNPFUDDW-UHFFFAOYSA-N	417.509	3.772	10	20	HHCD	
Cc1cc2c(cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)OCO2	782895800	KOSYLNXMYLYIER-UHFFFAOYSA-N	410.470	3.729	10	20	HHCD	
COc1cc(O)c(CN2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)OC(C)(C)C)C2)cc1OC	784034719	WVUFUMGTYKTOOA-USXIJHARSA-N	406.523	3.535	10	20	HHCD	
C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)CCN1C(=O)OC(C)(C)C	786257666	WWRAUFNMXUNEON-VQIMIIECSA-N	419.591	3.502	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1	788789758	NSQNCMBMTIDKAJ-CQSZACIVSA-N	410.301	3.786	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)c1ccc(N2CCOCC2)cc1	790692010	VFZBCLKXWBXYBW-YJLNNSPDSA-N	412.361	3.810	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1	793607390	CZAKUYLKKBXJJW-PKTZIBPZSA-N	423.557	3.528	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1	796641174	JNZZQKHOGZTNQM-NRFANRHFSA-N	421.463	3.972	10	20	HHCD	
Cc1noc(C)c1C(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	797460072	NIQUBMYPFVXPND-OAHLLOKOSA-N	407.461	3.956	10	20	HHCD	
CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	799065890	UJEOHKNQRKXIFJ-NRFANRHFSA-N	404.532	3.588	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	799236282	OESMNKOMCJCFFE-UHFFFAOYSA-N	414.462	3.793	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	802497218	ZQYZEHVGULVTPA-NRFANRHFSA-N	423.561	3.979	10	20	HHCD	
CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803687368	LEZFTVACKKEDEO-UHFFFAOYSA-N	420.340	3.651	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21	803842070	LNIVZOQHZHDYHK-GOSISDBHSA-N	417.962	3.684	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccn1	804705036	RAJOBTKXSDMAJU-JOCHJYFZSA-N	408.546	3.688	10	20	HHCD	
Cc1oc2ccccc2c1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805023415	UCAMIRDTKOKYBI-UHFFFAOYSA-N	419.525	3.910	10	20	HHCD	
Cc1ccc(C[C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)c1	805177579	HGWWVUPUAXKZIS-LJQANCHMSA-N	407.558	3.608	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H](C1CC1)C(F)(F)F	806878561	SHRVIIBYCIHVLJ-SWLSCSKDSA-N	407.383	3.897	10	20	HHCD	
C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807289313	PQTOCBAISCYZFW-FDDCHVKYSA-N	403.526	3.509	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1)c1ccc(N2CCOCC2)cc1	811865870	CRCPIKDKJZOHRZ-CLOONOSVSA-N	421.541	3.764	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)c(Br)c1O	814185413	GJEHVPYWAVGSFC-YRNVUSSQSA-N	400.319	3.917	10	20	HHCD	
N=C(NCc1cccc(C(F)(F)F)c1)NCc1cccc(Br)c1O	849105198	FHLSZRVWZIJMGB-UHFFFAOYSA-N	402.214	3.988	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C3(c4ccccc4)CCCC3)CC2)cc1	849192459	NKKPIBNFNXUXJP-UHFFFAOYSA-N	421.585	3.836	10	20	HHCD	
CCn1c(S)nc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc2c1=O	914440233	UKALSSRHDCCPHC-UHFFFAOYSA-N	422.554	3.576	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1	917751144	AYJGCLWJRGXORU-UHFFFAOYSA-N	416.524	3.916	10	20	HHCD	
O=C(CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1	920180420	SPBRLGLTXQGXIB-UHFFFAOYSA-N	402.882	3.967	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O[C@H](C)C(=O)NC[C@H]2CCCO2)c1	1322881768	ANTHMOFGORSBHA-NVXWUHKLSA-N	404.894	3.588	10	20	HHCD	
Cc1nc(CSCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cs1	1325424726	YLMFVNDUDOXSQS-FQEVSTJZSA-N	419.616	3.959	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)SC1=S	11291171	UHPGWQOLGXQCJY-NTUHNPAUSA-N	406.466	3.609	10	20	HHCD	
CN1C/C(=C\c2ccc(N3CCOCC3)cc2)c2nc3ccccc3c(C(=O)O)c2C1	13339420	YIIDFIZKWWNGOZ-NBVRZTHBSA-N	415.493	3.756	10	20	HHCD	
O=C(c1nc(C2CC2)n(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	112645667	LANGHMFJQSQAAR-FQEVSTJZSA-N	418.497	3.672	10	20	HHCD	
Cn1cc(-c2ncc(/C=C3\CCn4c3nc3cc(C(F)(F)F)ccc3c4=O)cn2)cn1	480034639	CRZTXSMCZQHTFT-AWNIVKPZSA-N	424.386	3.550	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cc(-c2ccccc2)on1	726852027	FTPAUYRKONDBFC-UHFFFAOYSA-N	406.486	3.520	10	20	HHCD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)NCc1ccc(N2CCC(O)CC2)c(F)c1	727850843	BDEXLRGZKBEYKW-UHFFFAOYSA-N	415.896	3.780	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1	728941243	TWAUTDLTTAIXQL-LBPRGKRZSA-N	406.866	3.776	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1Cl	729061968	MSLWMNUOHXAABY-GFCCVEGCSA-N	406.866	3.659	10	20	HHCD	
CC(=O)Nc1c(C)cccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	729324430	AMLNEBVVMHOAIY-IYBDPMFKSA-N	413.493	3.636	10	20	HHCD	
COCCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	729405918	QOMPHMZNLKWTOM-UHFFFAOYSA-N	416.518	3.533	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCOc2ccc(OC)cc2)cc1F	731363818	BMMFBBYGGCZGSH-UHFFFAOYSA-N	403.498	3.901	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3oc4ccccc4c3CN(C)C)CC2)cc1	733929262	JTZFCXVOYLHWOH-UHFFFAOYSA-N	407.514	3.902	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cccc(-n2cncn2)c1	735584361	HSDFHSWJJODXRF-UHFFFAOYSA-N	404.518	3.599	10	20	HHCD	
Cc1cc(C)c(C)c(OCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	736196033	LGLJSCXPYFXSQW-UHFFFAOYSA-N	410.558	3.906	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](c1c(F)cccc1Cl)N(C)C	740739774	JKEXFXCHCPNOQE-OAQYLSRUSA-N	419.928	3.577	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cc1	743046703	NDDDDWAUQHFNND-UHFFFAOYSA-N	401.513	3.902	10	20	HHCD	
COC(=O)c1ccc(OCCN(C)c2cc(OC)c(OC)c(OC)c2)c(Cl)c1	743850632	PRLACUPPUBKQLN-UHFFFAOYSA-N	409.866	3.668	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccnn2C2CCCCC2)cc1	743890219	GMZZCLGRMFZZOC-UHFFFAOYSA-N	411.550	3.832	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC2(CCOCC2)C1	745906053	VIBZIOXYBSAUIF-QGZVFWFLSA-N	423.504	3.859	10	20	HHCD	
CCc1cnc(CN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	747495247	HXSKHRJICQBEGD-HUUCEWRRSA-N	420.554	3.800	10	20	HHCD	
C[C@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2ccccc2N(Cc2ccccc2)C1=O	750868103	TUKZPOPOTAJQFC-HHNLSAEISA-N	400.482	3.649	10	20	HHCD	
COc1cc(Br)ccc1CCCNC(=O)/C=C\c1ccc(O)c(O)c1	753193886	PWNVFLKYOKZVOW-UITAMQMPSA-N	406.276	3.631	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2)cc1F	753737570	GIDURNSYROVBGF-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cc(Cl)cc4c3OCC4)CC2)cc1	754268515	ILQTUNNYNLMSCI-UHFFFAOYSA-N	415.921	3.705	10	20	HHCD	
Cc1cnc([C@@H](C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	755019660	LIFLTIPKKUZPNK-CYBMUJFWSA-N	405.479	3.516	10	20	HHCD	
Cc1nc(CS(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)sc1C	755737089	NZARVGMQCXLOHV-UHFFFAOYSA-N	402.541	3.965	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cn(C)cc(Br)c1=O	758668880	HCKNFWYFVKCCKT-UHFFFAOYSA-N	406.305	3.869	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccccc3O[C@H]3CCOC3)CC2)cc1	760068112	ZBEVEYXFMDUYDY-FQEVSTJZSA-N	411.502	3.653	10	20	HHCD	
COc1cc(Br)cc(CNCCOc2ccc(C(F)(F)F)cn2)c1O	760700277	GNQJZVKZODWOOP-UHFFFAOYSA-N	421.213	3.746	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1	761633392	YFWYSMRHZAWEKA-HNNXBMFYSA-N	406.866	3.673	10	20	HHCD	
O=C1N[C@@H](c2ccccc2F)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761635155	KBQWITZAVCOQGY-KSSFIOAISA-N	419.403	3.689	10	20	HHCD	
COc1ccc([C@@H](OC)[C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	762286896	HIYJCUROKLUXTF-RBZFPXEDSA-N	418.877	3.595	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	763279481	LKOWDZLXCFUCQX-ZDUSSCGKSA-N	415.877	3.871	10	20	HHCD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)NCc2cccc(Br)c2O)cc1	765752013	VRDKNQIAXHKRGY-UHFFFAOYSA-N	419.319	3.699	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1	765761471	XWKOXOQPMIHHKF-LJQANCHMSA-N	405.445	3.637	10	20	HHCD	
Cn1cc(-c2ccc(F)c(C(=O)NCc3cccc(Br)c3O)c2)cn1	765766490	YGXVNANVXKFYSQ-UHFFFAOYSA-N	404.239	3.624	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC3CC(OCc4ccccc4)C3)CC2)cc1	766109722	VWAIIJABRBIMNX-UHFFFAOYSA-N	409.530	3.711	10	20	HHCD	
CC(C)(C)S(=O)(=O)CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	767827652	WZNPMCVWVGCCSM-UHFFFAOYSA-N	417.487	3.797	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1	768954367	RJCFOAJYGWGBGU-UHFFFAOYSA-N	401.482	3.716	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)nc(C(C)C)nc1O	769292808	UNNLTHPOYUGAQZ-UHFFFAOYSA-N	408.296	3.744	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(C)nc1C(F)(F)F	769293105	YMUPTGAKANRUGN-UHFFFAOYSA-N	406.202	3.569	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(I)ccc1O	770506452	SHBUFBMBVRXZKI-UHFFFAOYSA-N	411.239	3.755	10	20	HHCD	
CN1CCN(c2ccc(CNCC3(c4ccc(Cl)cc4)CCOCC3)cc2)CC1	771823423	AYIAKIIVZSPUTR-UHFFFAOYSA-N	413.993	3.930	10	20	HHCD	
Cn1cc([C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)c2ccc(F)cc2)cn1	773318480	WAGLPOHYRMMFIF-QFIPXVFZSA-N	405.477	3.524	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H](C[C@@H]2CCOC2)C1	773505024	KNZOTFWFMLZDTM-PMACEKPBSA-N	403.592	3.588	10	20	HHCD	
CCN(C)c1ccc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1	773769943	BJGCJGZNZJMXEP-KRWDZBQOSA-N	421.541	3.957	10	20	HHCD	
Cc1cc(Br)cc(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1O	775166802	ACHASIFBCOKMAB-LBPRGKRZSA-N	418.253	3.821	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	775258614	GMHPHTMRCZEUOZ-OAHLLOKOSA-N	407.436	3.831	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1	775376031	RHQXWIHUQVIPTA-CYBMUJFWSA-N	415.490	3.877	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cc(Br)cc(C)c2O)cc1	775989900	LUSLXYLJRNZSRI-CQSZACIVSA-N	412.349	3.724	10	20	HHCD	
C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776250571	VWOUKEZAWXJXNZ-LEWJYISDSA-N	424.589	3.746	10	20	HHCD	
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc(O)c1O)CC2	776613716	MFNOSZZOCSTXBU-HXUWFJFHSA-N	411.479	3.964	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H](C)c1cccc(OC)c1	777827344	ZRMLDCKIIICQLP-CQSZACIVSA-N	405.878	3.750	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ncccc1Cl)c2[N+](=O)[O-]	778066694	JSQPPFBEXDEXEF-UHFFFAOYSA-N	407.769	3.671	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1O	779050959	SACZAEZACQLNDY-KDOFPFPSSA-N	418.335	3.700	10	20	HHCD	
CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)/C=C\c2ccc(O)c(O)c2)ccn1	779529843	PYQSBWVKXLIFMR-YVMONPNESA-N	419.437	3.605	10	20	HHCD	
Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)nn1CCCOc1ccc(F)cc1	779540413	FSOUENXJAOMSOU-WMZJFQQLSA-N	411.433	3.863	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)cc1	783309892	ZBRSCISNROMWAF-UHFFFAOYSA-N	401.894	3.644	10	20	HHCD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	785177000	FVKMDYGPYKOOET-AWEZNQCLSA-N	401.473	3.584	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1coc(-c2cccs2)n1	785689703	QKSKLKOFUXIZPW-UHFFFAOYSA-N	413.499	3.554	10	20	HHCD	
CCC(CC)(C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccccc1	786661340	TVMHCXOPAYRHML-UHFFFAOYSA-N	407.558	3.729	10	20	HHCD	
C[C@@H](O)C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	790703499	ZZUFXFAKVUHFEV-QAPCUYQASA-N	411.493	3.592	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790960224	XAYZODARSOQVAS-HKUYNNGSSA-N	407.514	3.758	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@H](N4CCOCC4)C[C@@H]3C)c2C)cc1F	796379600	UWBUQRDWGDKKHK-LAUBAEHRSA-N	413.537	3.519	10	20	HHCD	
Cn1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)n1	800047511	MKGQIIBTTMKTJG-UHFFFAOYSA-N	410.282	3.759	10	20	HHCD	
CCOCN(C(=O)CN[C@@H](C)c1cc(OC)ccc1O)c1c(C)cccc1CC	801528313	GUJLXRKKPNGOSU-KRWDZBQOSA-N	400.519	3.949	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(Br)c(C)n(C)c1=O	801548789	QJPVDKKABMBNOF-UHFFFAOYSA-N	407.308	3.604	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCC(C)(C)c2ccncc2)cc1)C1CCCCC1	803676993	ZGWINFQRTDOQBF-UHFFFAOYSA-N	422.573	3.561	10	20	HHCD	
COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	804369570	VWKFUAYVIPXNCC-FQEVSTJZSA-N	408.420	3.970	10	20	HHCD	
COc1ccccc1[C@H]1CCCCN1C(=O)C(=O)NCCCSc1nccs1	806277563	DNMXBPUESCLDPS-MRXNPFEDSA-N	419.572	3.504	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(Oc4cccnc4)cc3)ccc21	808922769	TXGDHWBSGYKHFV-UHFFFAOYSA-N	416.481	3.511	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H]3CCN(c4ccccc4Cl)C3)CC2)cc1	810318008	LSWAUZKPVQYRSX-KRWDZBQOSA-N	413.949	3.960	10	20	HHCD	
CCc1nnc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1	811914171	CPSNPDOYQYRVKC-CYBMUJFWSA-N	407.971	3.990	10	20	HHCD	
COC(=O)C1=NO[C@H](CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)C1	814773470	SOYWHCZWBBIREP-DMSFABOWSA-N	418.521	3.923	10	20	HHCD	
Fc1ccc(CC2(NCc3ccc(N4CCOCC4)c(F)c3)CCOCC2)cc1	815144078	TZIPHIHAEKMGJM-UHFFFAOYSA-N	402.485	3.683	10	20	HHCD	
O=C(C[C@H](c1ccccc1)c1ncc[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1	816922075	QEFYCULMZOXKLT-NHCUHLMSSA-N	405.498	3.845	10	20	HHCD	
O=C(c1nc(F)ccc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1	816922184	UAHLYCZOIXDLPN-ZDUSSCGKSA-N	409.255	3.510	10	20	HHCD	
C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cn2)C[C@@H](C)O1	915699086	RVJOHZKIXZCGJO-QZTJIDSGSA-N	409.534	3.617	10	20	HHCD	
COc1ccc(N(Cc2ccccc2)C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1	917085558	RTXSVVZIOOSMFE-QHCPKHFHSA-N	411.523	3.839	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccc(N2CCCC2=O)cc1	917192607	YYNZWAPXVAUPDX-UHFFFAOYSA-N	420.538	3.622	10	20	HHCD	
O=C1CCCN1Cc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	917398491	VHQHLQFRLZMFTO-UHFFFAOYSA-N	422.529	3.997	10	20	HHCD	
COC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	917659271	ROJNDCXXFOUBOM-UHFFFAOYSA-N	424.950	3.792	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	918202375	MSPGDEGZXNWPFO-CEXWTWQISA-N	403.542	3.945	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1c1cccs1	918219003	BHISEDAMMHQJKT-LJQANCHMSA-N	403.523	3.895	10	20	HHCD	
CC(C)Sc1ccccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1	919878796	YMZLTVPZIASPAH-UHFFFAOYSA-N	404.557	3.674	10	20	HHCD	
COc1ccc(Cl)cc1CCNC(=O)NCc1cccc(Br)c1O	1326396628	KAIOYUHATFYXRK-UHFFFAOYSA-N	413.699	3.859	10	20	HHCD	
Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	8558944	PQKALFUPIMPOIA-UHFFFAOYSA-N	407.470	3.531	10	20	HHCD	
Cc1cc(C(=O)CN(C)Cc2cnn(C)c2)c(C)n1-c1ccc(OC(F)F)cc1	26874243	RAQIIHQQHZKJGV-UHFFFAOYSA-N	402.445	3.744	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C\c2ccc3c(c2)OCO3)cc1	206134232	FBIMCGFGOJAWKB-PRUHCIRGSA-N	408.498	3.702	10	20	HHCD	
COc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc2c1OCO2	237365130	NYHLMCLLEQULJV-OAHLLOKOSA-N	406.429	3.784	10	20	HHCD	
Cc1c(CNC(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)n(C)c2ccccc12	472229735	ABDIMMKMZSVYPT-INIZCTEOSA-N	413.522	3.945	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(CCN(C)C)Cc3cccc(O)c3)ccc21	494785769	BQILEDCNAHEUNE-UHFFFAOYSA-N	423.557	3.814	10	20	HHCD	
O=C(C[C@H]1OC(=O)c2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566575	UQMOHKCBPKNNFG-LJQANCHMSA-N	416.424	3.675	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H](OC1CCCC1)c1ccccc1	727015071	HLCYNHFAFRRQQC-DEOSSOPVSA-N	424.541	3.955	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)ccc21	728541477	NXEXBICAISJEIA-UHFFFAOYSA-N	417.550	3.938	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c1	730902429	HPJKADJLFVTYTL-CZUORRHYSA-N	404.438	3.980	10	20	HHCD	
COC(=O)CN(CC(=O)Nc1c(C)cc(C)cc1C)Cc1cc(Cl)ccc1O	731845439	YANKFHXPADPHNM-UHFFFAOYSA-N	404.894	3.585	10	20	HHCD	
C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)c1ccc(N2CCOCC2)cc1	732277507	NXSUFEKEVXIQAY-HRAATJIYSA-N	401.938	3.657	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1	734066541	WIJCHWBVNNECFN-MRXNPFEDSA-N	407.470	3.935	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(Sc3ccccc3)c2)c1	734072540	FZLCMKRKQODEKR-UHFFFAOYSA-N	408.479	3.807	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)COc3cccc(Cl)c3C)cc2F)CC1	736013008	GFCPDGUSKCPSNE-UHFFFAOYSA-N	419.928	3.625	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl	740908915	DJHORKZDOKPYMV-VQIMIIECSA-N	403.885	3.671	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C(=O)NC)ccc1C	743089857	UVRTUYRLEALEDV-UHFFFAOYSA-N	420.307	3.877	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@H](O)COCc1cccs1	743873213	KHGGLJFOLACDNX-HNNXBMFYSA-N	400.338	3.616	10	20	HHCD	
CCN(CCc1ccccn1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905484	OCFBIYQJUIMEND-SFHVURJKSA-N	418.488	3.926	10	20	HHCD	
CO[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	745913292	WJXKRTKQTGKTEP-OAQYLSRUSA-N	417.937	3.706	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(OC)cc1	746109523	RYJQRMUYGGQSDU-UHFFFAOYSA-N	407.470	3.683	10	20	HHCD	
CNC(=O)CC1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	746413729	IEUHRXFHOWDJJM-UHFFFAOYSA-N	400.567	3.513	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1F	746726443	ROBZXQMBHXQSLI-INIZCTEOSA-N	404.917	3.871	10	20	HHCD	
CNC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	747967926	YRZNRZKVQHBFDX-XJKSGUPXSA-N	421.488	3.581	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(CCO)[C@H]3CCCc4ccccc43)CC2)cc1	749564416	KEDCIJXWEXOHGD-DEOSSOPVSA-N	423.557	3.746	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1	751355845	IPBGEXCEKAGUAR-UHFFFAOYSA-N	405.516	3.551	10	20	HHCD	
CC[C@@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1ccc(OC)cc1	753933623	ORGZFKXURYSPKQ-HXUWFJFHSA-N	401.482	3.826	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@@H](c2ccc(F)cc2)C1	755912731	LNVWBVPPRQHRQF-GOSISDBHSA-N	415.484	3.625	10	20	HHCD	
C[C@H](NC1CCN(C(=O)c2ccco2)CC1)c1cc(Br)c(F)cc1O	756391978	IYSSUTPEKARURR-NSHDSACASA-N	411.271	3.842	10	20	HHCD	
CCSc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	756925448	AUTRLBHPBVPCDT-QGZVFWFLSA-N	404.601	3.884	10	20	HHCD	
CN(C)CCOc1ccc(N(C)Cc2cc3ccccc3nc2N2CCOCC2)cc1	761219768	CFCRLHSMJKUVRE-UHFFFAOYSA-N	420.557	3.648	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1	761666480	ZOVBHTONBJIXBW-HTAPYJJXSA-N	411.502	3.972	10	20	HHCD	
Cc1cc(C(=O)NCCCCN2CCC[C@@H]2CO)c(C)n1-c1ccc(Cl)cc1	763072436	UMMITVDHLDKBOU-HXUWFJFHSA-N	403.954	3.714	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(F)cc3C(F)(F)F)no2)c1	763312911	MZYUXMXMNHUUKV-UHFFFAOYSA-N	417.340	3.639	10	20	HHCD	
C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(N2CCOCC2)c(F)c1	764926619	JOWLNQBRSSDVPU-CQSZACIVSA-N	413.415	3.849	10	20	HHCD	
COc1ccc(N2CCC(NCc3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)cc1	765327823	YFKCWKHAVSDDPL-HSZRJFAPSA-N	409.530	3.571	10	20	HHCD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	765578685	IACNLLVIWZHEGF-KRWDZBQOSA-N	415.465	3.660	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccc(OC)c(Cl)c3)CC2)cc1	765951426	JHMCPOKHZKZTLO-UHFFFAOYSA-N	403.910	3.779	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(N3C[C@H](C)O[C@H](C)C3)ccn2)cc1	770821293	XZPGDYSDBOWFCG-KDURUIRLSA-N	410.562	3.814	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H]3CCc4c(Br)cccc43)cc2)CC1	771832677	NVSBGTUCPJCQHO-OAQYLSRUSA-N	400.364	3.978	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1	772706324	AVPFDAYNMVIZKX-LJQANCHMSA-N	421.545	3.962	10	20	HHCD	
C[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc2ccccc12	774806955	VCWRKZWYWGHXMB-SFHVURJKSA-N	421.516	3.783	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3cccc(Cl)c3Cl)nc12	775442040	VZLKXIFGYHZRNX-SNVBAGLBSA-N	409.273	3.769	10	20	HHCD	
CC[C@H](NCc1ccc(OCCO)c(OC)c1)c1cc(Br)ccc1O	775491316	ICONHTLGHYXGCO-INIZCTEOSA-N	410.308	3.775	10	20	HHCD	
Cc1nn(C)cc1[C@@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	777302418	PIGWNAUGIKEGHH-FOIQADDNSA-N	401.555	3.711	10	20	HHCD	
O=C(Nc1ccccc1)c1nnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1	780304949	ZIFNZJOQCSCPHU-SFHVURJKSA-N	424.526	3.677	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)c1cccc(NS(=O)(=O)C(F)(F)F)c1	782549732	JCNPOKAKYFOCQO-UHFFFAOYSA-N	413.421	3.801	10	20	HHCD	
CCn1ncc2c(=O)n(CC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cnc21	783322103	QADORXSHMYPTON-UHFFFAOYSA-N	403.486	3.520	10	20	HHCD	
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	784060210	ACGBRPMFBPEHSA-UHFFFAOYSA-N	408.502	3.840	10	20	HHCD	
CC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1C	785564399	BBALJIKVNQCWJO-OAQYLSRUSA-N	409.530	3.841	10	20	HHCD	
O=C(c1cccc(O)c1O)N(Cc1cccc(Br)c1)C1CCOCC1	787399794	GWERTLQMLPZFDU-UHFFFAOYSA-N	406.276	3.682	10	20	HHCD	
COc1ccccc1-c1nc(C2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)no1	791050742	KGESZTYJPLWGHM-CLFYSBASSA-N	421.453	3.576	10	20	HHCD	
CCOc1ccc(CN(C)Cc2cn(-c3cccc(Br)c3)nn2)c(O)c1	796013375	GHOCQYNLNOWUSK-UHFFFAOYSA-N	417.307	3.766	10	20	HHCD	
Cc1ccc(Cl)c(N(Cc2cccnc2)S(=O)(=O)c2cccc3nonc23)c1	799187530	UOUNJCDVEVXZOO-UHFFFAOYSA-N	414.874	3.975	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	800758577	AMXNQWFTNFGSNL-SSZFMOIBSA-N	422.573	3.892	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1	801545502	QPDFQDLYXYHWGJ-SAPNQHFASA-N	416.543	3.501	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1	801613602	IMNRSEUFTQGGLO-UHFFFAOYSA-N	417.531	3.766	10	20	HHCD	
Cc1cc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)on1	803677049	DTVAFXUIGPNDQL-OAQYLSRUSA-N	424.545	3.732	10	20	HHCD	
CC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc(Cl)c1O	806159288	FSMODNFLDDRPQK-PMACEKPBSA-N	402.922	3.556	10	20	HHCD	
C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CN(C(=O)OC(C)(C)C)C1	807836974	WIPVRRNFXMLXJT-SNVBAGLBSA-N	403.306	3.818	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2	813789277	OGKURFNMIUCZTQ-ZUEVXXBESA-N	411.340	3.627	10	20	HHCD	
COC(=O)N1CCN(c2ccc(N[C@@H](C)c3cc(Cl)cc(C)c3O)cn2)CC1	815655300	NWFWFDFTJIVDAC-AWEZNQCLSA-N	404.898	3.811	10	20	HHCD	
COc1ccc(O)c(CNC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)c1	816550202	KXHGGCQWQZRGLD-UHFFFAOYSA-N	418.921	3.650	10	20	HHCD	
Oc1cc(F)c(Cl)cc1CNc1ccc2nc(CCN3CCOCC3)[nH]c2c1	816563950	PFQYJALFOUOFHG-UHFFFAOYSA-N	404.873	3.548	10	20	HHCD	
CCC(CC)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1	857445621	LNEYZAKEJVHARQ-UHFFFAOYSA-N	410.923	3.862	10	20	HHCD	
CN(C)CCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1	864041546	QJSGKBTZQOMMSL-UHFFFAOYSA-N	408.468	3.675	10	20	HHCD	
COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c(OC)c1	914903657	RHWIFCWBUDVYHO-INIZCTEOSA-N	423.469	3.690	10	20	HHCD	
C[C@@H](OCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916457869	PPIWBBZKAUACBR-MRXNPFEDSA-N	422.447	3.764	10	20	HHCD	
Cc1ccc(CN2C[C@@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)cc1	917361405	LJTBNMCFOGBFOQ-NRFANRHFSA-N	418.493	3.871	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1sccc1Br	917887941	ZJGDRJGDKBXGCO-UHFFFAOYSA-N	401.351	3.589	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3nnc(C(C)(C)C)s3)cc2F)C[C@@H](C)O1	918053499	AJXSLHMSSGHKCA-CHWSQXEVSA-N	421.542	3.910	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C2CC2)cc1	918121175	DWFMAOAWOKYJIM-FYYLOGMGSA-N	420.557	3.647	10	20	HHCD	
CC[C@]1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCN(C(=O)OC(C)(C)C)C1	1116757389	WLDSJZHRJSUQTP-QFIPXVFZSA-N	403.523	3.515	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@@H]2CNc2cccc(C)n2)c1O	1319707388	PLYHGQRGAANKNH-MRXNPFEDSA-N	406.324	3.943	10	20	HHCD	
C[C@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	10730959	GXPCGPJBQLEDSO-ZDUSSCGKSA-N	417.392	3.785	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1	110356102	RTFDSRAMPIWFLC-HNNXBMFYSA-N	415.515	3.869	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(OC)ccc3Br)CC2)cc1	110359433	UKBQTSYDBPUZOV-UHFFFAOYSA-N	419.319	3.865	10	20	HHCD	
COc1ccc(N2CCCN(c3ccc(-c4nc(C)c(C)c(O)n4)cn3)CC2)cc1	301356536	KORISSKFFYEYEV-UHFFFAOYSA-N	405.502	3.586	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)c1	303166748	FZPGCSWMMZKNIP-UHFFFAOYSA-N	406.530	3.965	10	20	HHCD	
O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(CN2C(=O)CCC2=O)cc1	303826900	KVFRNAIGCQQTCA-UHFFFAOYSA-N	405.498	3.968	10	20	HHCD	
CC(=O)N(CCc1noc(Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n1)C(C)C	558356958	QMZNANGAEBLFNQ-UHFFFAOYSA-N	423.561	3.639	10	20	HHCD	
C[C@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)CN1CCCCC1	726707269	STTDHNLDUPHPLZ-QGZVFWFLSA-N	424.536	3.678	10	20	HHCD	
COCCCN1CCC(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	726983010	JYHJUKHXRPWTSN-UHFFFAOYSA-N	417.981	3.907	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(N(CC)CC)cc2)ccc1F	728582761	LSKVGHHCOZEBIP-UHFFFAOYSA-N	422.522	3.669	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@H](c3ccccc3)C3CCC3)cc2)C1	729233580	RSGFBCJWAWKZJI-JTHBVZDNSA-N	420.557	3.729	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1O	729559844	QRDZKPVTTHRYNI-UHFFFAOYSA-N	405.882	3.762	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731016074	DJILMFWDDOYQEI-OJADOOIQSA-N	415.603	3.797	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@@H](Cc3ccccc3)N(C)C)cc2)CC1	731116138	JGODLNPJBRBLII-XMMPIXPASA-N	408.590	3.895	10	20	HHCD	
CCOCc1ccc(CNC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1	738298221	FBPJCCLGFXIETN-UHFFFAOYSA-N	409.574	3.962	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccccc1CN1CCOCC1	740739905	JVROMFPAFVYGCT-UHFFFAOYSA-N	407.558	3.781	10	20	HHCD	
CCCc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n2ncnc2n1	742423551	OUWXDUMQJHDMPP-HNNXBMFYSA-N	402.449	3.759	10	20	HHCD	
CCCCCC[C@](C)(CC)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	742560187	BGMIFQILKOTOON-QFIPXVFZSA-N	408.608	3.924	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1O	743158748	JHGXUHBRLUDNFS-UHFFFAOYSA-N	410.430	3.562	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCc1nc(-c2ccoc2)no1	743809337	QITXGZJQSDLTFF-UHFFFAOYSA-N	420.263	3.779	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(COC(C)(C)C)c2C)c1	747754941	HZIMUZMLCJPPKD-OAHLLOKOSA-N	414.502	3.840	10	20	HHCD	
CCc1cc(N2CCC(NC(=O)N(C)Cc3ccc(N(CC)CC)cc3)CC2)ncn1	748663365	LVMBCFJZOUMGJO-UHFFFAOYSA-N	424.593	3.696	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)CCCC(=O)N3)cc1	751405262	KDJPTJQLUNVQFU-JOCHJYFZSA-N	421.541	3.849	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(F)cccc2Br)cc1	752723404	WLEBYSRGLSNSIC-UHFFFAOYSA-N	422.298	3.689	10	20	HHCD	
CN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc(-c5cccnc5)cs4)ccc1c23	753692562	WLPDVBFUBFEDJF-UHFFFAOYSA-N	422.491	3.749	10	20	HHCD	
COC(=O)CCN(CC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)C1CCOCC1	754665839	QYBCXORCIDJSMP-UHFFFAOYSA-N	412.530	3.629	10	20	HHCD	
Cc1nccc(NCc2cccc(C(=O)NCc3c(O)ccc4c3CCCC4)c2)n1	755532710	RAKOWTOUFFQMOF-UHFFFAOYSA-N	402.498	3.912	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2nc[nH]n2)c(C)n1-c1cc(Cl)cc(Cl)c1	756765965	GYQYEXFNNOFALH-UHFFFAOYSA-N	421.284	3.878	10	20	HHCD	
Cc1oc2c(CN3CCO[C@H]([C@@H]4CCCO4)C3)c(O)ccc2c(=O)c1-c1ccccc1	756864318	XAOPVPBSAGEMCL-VXKWHMMOSA-N	421.493	3.854	10	20	HHCD	
Cc1nc(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)sc1C	763635991	HIXSUUMJYUODCP-OAHLLOKOSA-N	424.517	3.872	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)c(F)c1	765322882	NDWYJRXDWHDRAZ-WMZOPIPTSA-N	416.493	3.635	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3n[nH]c4cc(C(=O)O)ccc34)SC2=S)cc1	765502985	UVOXYUIFMGXZLB-LICLKQGHSA-N	424.507	3.733	10	20	HHCD	
CCCN(CC)C(=O)c1ccc(C(=O)NCc2cccc(Br)c2O)cc1	765755299	IFPXPQRYEOVKCN-UHFFFAOYSA-N	419.319	3.957	10	20	HHCD	
OC[C@H](NCc1cccc(Br)c1O)c1ccc(Br)cc1	767424582	HKPUGWXJPJEEGE-AWEZNQCLSA-N	401.098	3.740	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1)c1ccc(N(C)C)cc1	773844472	BNTSAHKOPSKZDI-KRWDZBQOSA-N	418.497	3.543	10	20	HHCD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C1/SC(=S)N(c2cccnc2)C1=O	774120221	KUHPPTKKPPUAOF-NTEUORMPSA-N	424.956	3.934	10	20	HHCD	
Cc1ccc([C@H](C)NCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	774833096	VCDXUVDDWXTVFQ-QRVBRYPASA-N	413.537	3.715	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2c(OC)cccc2OC)n1	775149886	FSZSKGHCYSZURJ-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccc(F)cc3F)C(C)(C)C)nc12	775542682	NUUJTTDLOPICKE-SFHVURJKSA-N	418.444	3.767	10	20	HHCD	
C[C@H](NC(=O)Nc1c(-c2cnn(C)c2)nc2ccccn12)c1ccc(N(C)C)cc1	775669674	GZMFVHYYXJWCBT-HNNXBMFYSA-N	403.490	3.684	10	20	HHCD	
C[C@H](NCC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccc(N(C)C)cc1	775833997	NYPMGZPAXFXLEM-HNNXBMFYSA-N	409.452	3.661	10	20	HHCD	
CC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)nc1C	777112571	PQAVECPLJURJHS-OAQYLSRUSA-N	409.530	3.788	10	20	HHCD	
CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCO1	778750827	CSDMOMIUFQERPT-FYYLOGMGSA-N	417.594	3.678	10	20	HHCD	
Cc1ccc2nc(COc3ccc(C(=O)NCc4ccc(O)c(O)c4)cc3)cn2c1	778916584	MGHTUBBPZCRTJD-UHFFFAOYSA-N	403.438	3.563	10	20	HHCD	
Cc1ccc(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)c(O)c1O	780922940	VRZXUGKRZVEWHI-UHFFFAOYSA-N	420.303	3.647	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(CC2CC2)c1)c1ccc(N)cc1	783485667	KDJVPNFMQHOQIF-INIZCTEOSA-N	403.486	3.608	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c(Cl)n1	784059541	MMPVDOWIUWEDHG-UHFFFAOYSA-N	402.882	3.630	10	20	HHCD	
C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cccc(C(F)(F)F)c1O	788602995	QEEKKFPEWWMSSF-RIFZZMRRSA-N	408.464	3.945	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c(s1)CCCCCC2	789757597	OSKZUNHNOGFHNV-UHFFFAOYSA-N	401.532	3.885	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2c(F)cccc2OC(F)(F)F)SC1=S	790586280	IRNNRZJSMGSQEJ-YRNVUSSQSA-N	409.382	3.790	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)c1ccc(N2CCOCC2)cc1	790692007	VFZBCLKXWBXYBW-UCLAIMLFSA-N	412.361	3.810	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c(O)c1	792931301	UNBQYEGWZXUUDK-QGZVFWFLSA-N	421.900	3.657	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(F)c(N2C(=O)CNC2=O)c1	794297879	XAQCLUIHZVFDRM-UHFFFAOYSA-N	412.446	3.603	10	20	HHCD	
Cc1noc([C@@H]2CCCN2CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1	796694696	LRQNBIUSFWPFMI-IBGZPJMESA-N	422.485	3.577	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@H](CC(F)(F)F)C(=O)O)cc1)C1CCCCC1	797715680	RWLGITQTONRQLM-MRXNPFEDSA-N	401.429	3.660	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(c3cccc(Br)c3)CC1)[C@@H](O)CO2	799165106	CXMRBQBCRZAGKP-IBGZPJMESA-N	404.304	3.960	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1	801549349	KVUBUPZQVOBTFC-HNNXBMFYSA-N	405.520	3.578	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccc(F)cc2)CCC1	804066269	CIBWYTHCBQEYAK-UHFFFAOYSA-N	412.505	3.898	10	20	HHCD	
COc1cc(CNCc2cc(Br)ccc2O)c(Br)cc1O	809713328	MQLVGTRCRDAUQE-UHFFFAOYSA-N	417.097	3.921	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(N2CCCCC2=O)cc1	811975995	BYYBPDRXKBPXBH-INIZCTEOSA-N	412.509	3.969	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)c1	812043449	LDEVMBFFDOPXDH-UHFFFAOYSA-N	420.465	3.757	10	20	HHCD	
Cc1cc(CCNC(=O)C[C@H](NC(N)=O)c2cccs2)c(C)n1-c1ccccc1	822093777	KMORFMVQVFEIJS-IBGZPJMESA-N	410.543	3.614	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C2CC2)cc1	914439336	IPUATDFVARCEGL-UHFFFAOYSA-N	407.558	3.971	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cc(Cl)ccc3C)CC2)cc1	920254066	JRCZDQHCZFTENR-KTKRTIGZSA-N	413.905	3.501	10	20	HHCD	
O=C(Nc1cc([C@H]2CCCCN2C(=O)CC2CC2)[nH]n1)c1cc(O)c(O)c(Cl)c1	1821293767	OSJJRCZIINPCEL-OAHLLOKOSA-N	418.881	3.580	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)c2ccc(OC)c(OC)c2)sc(C)c1CC	109101368	XNPYOXGQSNNDQI-UHFFFAOYSA-N	420.531	3.888	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1	111110509	IDYQEMAQFHKOJL-UHFFFAOYSA-N	417.553	3.981	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n(C)c2ccccc12	472779537	SYIBMOMGUDYEJZ-UHFFFAOYSA-N	419.481	3.783	10	20	HHCD	
O=S(=O)(Nc1cc(F)cc(NCC(F)(F)F)c1)c1cccc2nsnc12	530284693	UTMOELXGRDJBAG-UHFFFAOYSA-N	406.386	3.605	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N2CCC(c3ncccc3Cl)CC2)n(C)c2ccccc12	557485824	CNJWTVYMTQUDHT-UHFFFAOYSA-N	424.932	3.558	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(OC)ccc3C(=O)OC)ccc21	609445425	KNFUUWHJWUELBG-UHFFFAOYSA-N	410.470	3.952	10	20	HHCD	
COc1ccc([C@@H]2CCN(C(=O)NC3CCN(c4ccc(OC)cc4)CC3)C2)cc1	726714155	UAYZHCQMZQXXFY-LJQANCHMSA-N	409.530	3.872	10	20	HHCD	
COc1ccc(CN(C(=O)/C=C\c2cnn(C)c2)c2ccc3nc(C)[nH]c3c2)cc1	726878587	QFNFWMGMGMZHJN-WDZFZDKYSA-N	401.470	3.860	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CN2Cc3ccccc3C2=O)cc1	729967608	OLOWLEAJQBWHMW-UHFFFAOYSA-N	403.482	3.530	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CSCc3cccc(C)c3)cc2F)CC1	730194936	YVCQMGPHLKYSHQ-UHFFFAOYSA-N	415.578	3.826	10	20	HHCD	
C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)Cc1ccccc1O	732202928	IYNOUVPHLLTYKM-OAHLLOKOSA-N	414.461	3.627	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)c1C	732785565	YCWZLFTVQNWSMA-SFHVURJKSA-N	407.436	3.638	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1nc(-c2ccc(Cl)cc2)no1	740916811	HWLYRKRAIVCQNC-UHFFFAOYSA-N	409.877	3.766	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	741678571	VMKLBTGQJWFKLH-MRXNPFEDSA-N	414.506	3.909	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(N(C)CC(F)F)CC3)ccc21	742237160	IPFSQXIAHKJKRR-UHFFFAOYSA-N	407.505	3.706	10	20	HHCD	
Cc1ccc(N2CC[C@@H](NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)cc1	742375895	XGPLDZJCEVTXOM-HXUWFJFHSA-N	408.502	3.789	10	20	HHCD	
CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2ccc(N3CCCC3)cc2)cs1	742537590	ZEPOMNQNGSQHOC-UHFFFAOYSA-N	400.548	3.587	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2c(s1)CCOC2	742799164	HVRSINBWIRONOV-AWEZNQCLSA-N	408.470	3.821	10	20	HHCD	
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805295	IQZRNIOFIFBEEF-QFBILLFUSA-N	423.504	3.554	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)Oc3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1	743632475	SFRAUAYIIKLKAW-ZNMIVQPWSA-N	422.447	3.801	10	20	HHCD	
C[C@@H]1CC[C@@H](CCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)O1	743725074	BZMMYXWGLYMMPM-LSTHTHJFSA-N	419.566	3.782	10	20	HHCD	
CC(C)N(CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)C	745267622	ULRNHBHTGHIMCL-QGZVFWFLSA-N	412.525	3.675	10	20	HHCD	
CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	745784211	PAFDXSKNBLBVEB-QHCPKHFHSA-N	416.610	3.708	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(-c2ccccc2)ns1	747103723	QNKSLPCKCZNKTD-UHFFFAOYSA-N	409.511	3.692	10	20	HHCD	
COc1ccc(Br)c(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c1	747700260	YFUQZULKQRCAEL-QPEQYQDCSA-N	411.302	3.847	10	20	HHCD	
COc1cc(CNC(=O)N(C)Cc2ccccc2O)cc(Br)c1OC	749188384	JWGSBNXXKWWHSQ-UHFFFAOYSA-N	409.280	3.514	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(Br)ccc3OC)CC2)cc1F	753737294	DZDDOKOHDZRQHM-UHFFFAOYSA-N	423.282	3.568	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc2c(cc1O)CCCC2	756413336	CTEXRADYMIQISV-GOSISDBHSA-N	407.558	3.509	10	20	HHCD	
COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)c1ccc2c(c1)OCO2	756653307	GBBFCIJAXURCDR-UHFFFAOYSA-N	411.241	3.584	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc(Br)ccc3O)C2=O)cc1	756711186	JUOHAJZMEZCWPV-SCLBCKFNSA-N	419.319	3.615	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1	761972026	FTHUUFRTFUQAIU-AUUYWEPGSA-N	400.475	3.844	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCOc1ccccc1Br	763284633	SKHLIHJQCWBOES-ZDUSSCGKSA-N	408.292	3.767	10	20	HHCD	
CCOCCCn1c(NCc2ccc(N3CCN(C)CC3)cc2)nc2ccccc21	763408746	QJGHDRDSRDYNMN-UHFFFAOYSA-N	407.562	3.827	10	20	HHCD	
Oc1c(Br)cccc1CNc1nn2cc(-c3cccnc3)nc2s1	764934795	MBQQSRIULXSKML-UHFFFAOYSA-N	402.277	3.933	10	20	HHCD	
CCn1cnnc1-c1ccccc1NC(=O)NCc1cccc(Br)c1O	765280499	BZERZGNXUQKGQS-UHFFFAOYSA-N	416.279	3.755	10	20	HHCD	
COC(=O)c1nccc2c(S(=O)(=O)Nc3cc(C(C)C)c(O)cc3C)cccc12	766322847	YSLBWGOMIJZPNK-UHFFFAOYSA-N	414.483	3.960	10	20	HHCD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(Cl)ccc1O	768179541	IEXUBAQFSUSXHH-KRWDZBQOSA-N	405.878	3.725	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C(F)(F)F)n[nH]c1C	769293102	YKLZUAUAUBELHJ-UHFFFAOYSA-N	406.202	3.867	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c(Br)c1	770265216	JRWKFSKRVVQGAB-UHFFFAOYSA-N	422.298	3.526	10	20	HHCD	
COCCO[C@@H]1C[C@@H](CO)CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	772178258	YZKGZYQLZKSHCU-DYESRHJHSA-N	412.490	3.980	10	20	HHCD	
CCC[C@@H](NCc1cc(O)n2ncc(C(=O)OCC)c2n1)c1ccc(F)cc1F	775541600	BNARIRQFPVTSAU-QGZVFWFLSA-N	404.417	3.521	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H](C)c1ccccc1OC	777827097	WMVRFTNSALVLCD-AWEZNQCLSA-N	405.878	3.750	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(Br)s1	777827562	CDPWCXPGUQSQDV-UHFFFAOYSA-N	418.696	3.685	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1	779462798	UIOZIVKFUBWSDP-UHFFFAOYSA-N	420.391	3.726	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)c(OC)c1	784026237	TUVBZEPARCEUAD-UHFFFAOYSA-N	421.291	3.541	10	20	HHCD	
Oc1ccc2ccncc2c1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1	786104303	BMGMEWCECHVJQY-UHFFFAOYSA-N	409.437	3.523	10	20	HHCD	
CCCOc1ccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	787208472	KCJVYYOCZFKROQ-UHFFFAOYSA-N	411.546	3.595	10	20	HHCD	
CC[C@H](CSc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788933783	XWJCKJJWLBRIMR-LJQANCHMSA-N	411.571	3.590	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)c1	789274724	VHESFASVRHEXAF-ZDUSSCGKSA-N	410.478	3.557	10	20	HHCD	
Cc1cc(C(=O)CN(C)C2(CO)CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1	792408620	HSWMQSKHSPDBAP-UHFFFAOYSA-N	424.463	3.769	10	20	HHCD	
Cc1ccc([C@H](C)NCC(=O)Nc2ccc(I)cc2)c(O)c1C	793576059	XKYOCAVDEXTKIK-ZDUSSCGKSA-N	424.282	3.903	10	20	HHCD	
COc1ccccc1-n1nccc1/C=C1\SC(=S)N(CCc2cccnc2)C1=O	797397403	CNRWEBBZMWWWEM-UYRXBGFRSA-N	422.535	3.720	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1c(F)cc(Br)cc1F	797630438	DROCXZGZIDMRNK-QMMMGPOBSA-N	401.207	3.891	10	20	HHCD	
COC(=O)Nc1cccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1C	798029232	QASOUSMKMSOMJA-UHFFFAOYSA-N	412.490	3.926	10	20	HHCD	
CC[C@H]1CCc2nc(NC(=O)NCc3ccc(N4CCOCC4)cc3)sc2C1	799432286	MIEIVARHHRUNSJ-HNNXBMFYSA-N	400.548	3.816	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCOC[C@@H]3CCCO3)cc2Cl)C1	799929256	QSPBNMBJUIFOTP-AEFFLSMTSA-N	409.958	3.571	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](COCCOC)C1	801938524	GDQHJDSJUSMMNG-HXUWFJFHSA-N	423.561	3.862	10	20	HHCD	
CCS(=O)(=O)N1CCC([C@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	809785899	HBNNTKQUVVIVNO-IBGZPJMESA-N	407.624	3.559	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(NCc3cc(F)c(N(C)C)cc3F)cc2)C[C@@H](C)O1	864039554	WVDHLUOKANIJEE-GASCZTMLSA-N	403.473	3.892	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCOC[C@@H]2CCCO2)c(C)n1-c1cccc(F)c1	915542198	IMTAYDWXMDITRH-IBGZPJMESA-N	403.450	3.545	10	20	HHCD	
Cc1cc(CCNC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccccc1	916221168	RWWGRIJTZZBRGI-SFHVURJKSA-N	422.495	3.820	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)N(Cc2ccco2)CC(F)(F)F)C2CC2)cc1	917073949	JGVZPGSHWYKUKC-UHFFFAOYSA-N	409.452	3.901	10	20	HHCD	
Cc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	918123312	TWVDZOFUILNGJF-NFBKMPQASA-N	420.557	3.743	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])sc2C)cc1	918188437	UNNNWSJSMYERDG-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
Cc1cccc(C)c1OC[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	919923575	INJNRNRQMUXZIM-FQEVSTJZSA-N	411.546	3.749	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1	920872286	KLLFMGQIWSCNIC-GOSISDBHSA-N	422.529	3.528	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Oc2ccccc2)c1	1320385990	MJSLYDHTZCPHJR-FQEVSTJZSA-N	421.449	3.794	10	20	HHCD	
C[C@H](NC(=O)Nc1ccnc(Cc2ccccc2)n1)c1ccc(N2CCOCC2)cc1	1320875312	WTKMVQXTVFQSBL-SFHVURJKSA-N	417.513	3.787	10	20	HHCD	
O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(O)c(O)c1	4309015	SIAAPCFCEYRKLG-UHFFFAOYSA-N	407.451	3.973	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCO[C@H](C)C1	10085406	VFOIRYIAONWCRP-CYBMUJFWSA-N	424.364	3.672	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1	18061268	RCGBEURJQRKUMT-UHFFFAOYSA-N	403.382	3.566	10	20	HHCD	
COc1cc(I)c(Cl)cc1C(=O)Nc1ccc(N)cc1	237189838	PJYQODBSOJNADV-UHFFFAOYSA-N	402.619	3.788	10	20	HHCD	
OCC1CCN(c2ccc(CNc3nc(-c4ccccn4)nc4c3CCC4)cc2)CC1	301214955	ZCEBDMMDVKAKAA-UHFFFAOYSA-N	415.541	3.848	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCOc3cncc(Cl)c3)ccc21	559263012	LYFPKVVEWBDPLG-UHFFFAOYSA-N	401.894	3.762	10	20	HHCD	
COc1ccc(N(Cc2nnnn2-c2ccc(OC(F)F)cc2)C(C)C)cc1F	725816465	VVKZIZAIALUNBT-UHFFFAOYSA-N	407.396	3.826	10	20	HHCD	
CN(c1ccc(CNC(=O)NCC(=O)N2CCc3ccccc32)cc1)C1CCCCC1	726248210	VDCYTZXCAZDDGB-UHFFFAOYSA-N	420.557	3.844	10	20	HHCD	
CC(=O)Nc1ccc(F)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726565330	CFZDCZBVYHRUCP-UHFFFAOYSA-N	421.419	3.784	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	727732253	OFGCMIHCQKGYFL-QKLQHJQFSA-N	419.566	3.640	10	20	HHCD	
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	727850821	KAPXJYKQLMVTDY-VXKWHMMOSA-N	422.573	3.599	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)c1	728946680	IMVWGSGBDMSXJN-HNNXBMFYSA-N	420.469	3.609	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CSc3ccc(C)cc3C)cc2F)CC1	730194926	SOVNEZOMDOWJEE-UHFFFAOYSA-N	415.578	3.993	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1F	731352205	SCYGSLURDRUYJU-UHFFFAOYSA-N	420.554	3.854	10	20	HHCD	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	731851790	DHEQPHFLCCEQDA-MRXNPFEDSA-N	404.854	3.740	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cc(=O)c2cc(Br)ccc2[nH]1	733973314	ZZABEOVSMLNZNY-UHFFFAOYSA-N	424.345	3.659	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(c2ccccc2F)CC1	736375802	OIQVYOZRWFNQBL-UHFFFAOYSA-N	415.484	3.891	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1	741069096	IJAOGTVBJDTRIV-UHFFFAOYSA-N	416.547	3.760	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@]34CCCc3ccccc34)cc2F)CC1	743338923	GRGFEBODMYWRJA-NVQXNPDNSA-N	421.560	3.878	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(CCc2ccccc2)oc1=S	743347883	GEVZUBCYVMAQJP-UHFFFAOYSA-N	424.570	3.917	10	20	HHCD	
CCN(CC(=O)N1CCc2ccccc2C1)Cc1cc(Br)ccc1O	743872043	PGSKZNJCLHGXSK-UHFFFAOYSA-N	403.320	3.562	10	20	HHCD	
O=C(NC[C@H]1Cc2ccccc21)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745728012	XKDGKFPMYFUTFF-SJORKVTESA-N	401.457	3.896	10	20	HHCD	
CO[C@]1(C)C[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C	745800126	OOBWCSDCKCMXEK-LAUBAEHRSA-N	411.493	3.760	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	745835001	RJQRNOKXUOCBML-LJQANCHMSA-N	413.905	3.529	10	20	HHCD	
COc1cc(Br)c(S(=O)(=O)N(C)Cc2ccccc2O)cc1Cl	751236705	YUFSVKFGJLXVLR-UHFFFAOYSA-N	420.712	3.637	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)c3ccccc3Br)CC2)cc1	751573582	FSRWATCHZAKPLK-FQEVSTJZSA-N	405.336	3.703	10	20	HHCD	
C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1O	756354843	JFEZAZBTWJFEDE-BBRMVZONSA-N	411.365	3.940	10	20	HHCD	
C[C@@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Br)ccc1O	756801624	AWDDESOGBQNBPH-CQSZACIVSA-N	419.319	3.729	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)C2CC2)cc1	757255650	UYNLWMXZZLILON-UHFFFAOYSA-N	408.424	3.673	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)/C=C\c3ccc(Cl)nc3)cc2F)C[C@@H](C)O1	758511291	OKLLUOGFBZRRRY-OVUXIIJLSA-N	403.885	3.817	10	20	HHCD	
CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	759187878	RVOYHVBLXFRFFW-RTBURBONSA-N	421.335	3.780	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1	759460623	QDGYSUULGFQWCX-IBGZPJMESA-N	405.420	3.614	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@H](O)c1ccccc1C(F)(F)F	759586125	NWPJCPDVUINFTA-ZDUSSCGKSA-N	405.467	3.677	10	20	HHCD	
COc1cccc(C=C2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1	760746359	SGCNUCPFJCPTFL-UHFFFAOYSA-N	421.541	3.921	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)cc2F)C[C@@H](C)O1	763479248	SWJIDGOGGJBJLS-PZPFTHLGSA-N	421.557	3.832	10	20	HHCD	
Cc1ccc(-n2nnc([C@@H](C)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2C)cc1	765288661	ZZDUEYSXKSCPHT-QGZVFWFLSA-N	423.536	3.835	10	20	HHCD	
CC(C)(C)OC(=O)NC1(C(=O)NCc2cccc(Br)c2O)CCCC1	765750697	JTTKMZKCSAYRIY-UHFFFAOYSA-N	413.312	3.608	10	20	HHCD	
Fc1cc(CNC[C@@H]2C[C@@H]2c2ccccc2)ccc1N1CCN(c2ncccn2)CC1	767351099	VJHNDCZEKIHOQS-FCHUYYIVSA-N	417.532	3.836	10	20	HHCD	
Cc1c(CSC(C)C)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	769912468	HXTAVEGXQMTJMJ-UHFFFAOYSA-N	408.545	3.966	10	20	HHCD	
CS[C@H]1CCCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	772589938	HSWFXZZSRDUXEY-JZXOWHBKSA-N	409.571	3.866	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](O)Cc1ccccc1Cl	772717968	JVHJOWSUPAWIRO-IBGZPJMESA-N	424.875	3.630	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccc12	773083941	MPOLRGKMYHGEAL-HNNXBMFYSA-N	411.527	3.904	10	20	HHCD	
COCC1(C)CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1	773252837	RCJBDKPIBXTTBJ-UHFFFAOYSA-N	418.244	3.527	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1	774486202	XSJTYUFEHORIFR-UXHICEINSA-N	408.590	3.573	10	20	HHCD	
CN(C)[C@H](CNCc1cc(Br)cc(Br)c1O)c1ccco1	775801230	OQVQFEGVJPGCDO-CYBMUJFWSA-N	418.129	3.903	10	20	HHCD	
CCO[C@@H]1C[C@@H](NCc2cc(Br)cc(OC)c2O)[C@@H]1Oc1ccccc1	776008526	TUJDUADOJJEEOW-POAQFYNOSA-N	422.319	3.878	10	20	HHCD	
Cc1cc(CC(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)c(C)n1-c1ccc(Cl)cc1	779076030	NQFJOYSQVUJQDN-SFTDATJTSA-N	414.933	3.887	10	20	HHCD	
Fc1cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1N1CCOCC1	779160028	TVXPSWPWHIEPMN-UHFFFAOYSA-N	412.431	3.715	10	20	HHCD	
CCOC(=O)[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)c(F)c1	779185844	HVCVKMGFOXHOIY-JOCHJYFZSA-N	416.493	3.706	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](c3ccc(F)cn3)C(C)C)CC2)cc1	779341135	HLBFJQGVFWSCGH-QHCPKHFHSA-N	400.542	3.728	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccc1O	779525185	NUHGCSGIJKNRCC-IBGZPJMESA-N	413.518	3.762	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2	779544051	ZRGWIIBYIWPLAM-WWMFUTFBSA-N	415.436	3.516	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3COC(C)(C)C)cc2)CC1	786656229	MDOVLZKRLAHDQQ-UHFFFAOYSA-N	423.557	3.600	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1	787545000	USNGXELTGMFJAP-KGXYIWNSSA-N	417.461	3.754	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@H](C)c3cccc(C(F)(F)F)c3O)C2=O)cc1	788647457	UOFLGOWEUXRXHX-ACJLOTCBSA-N	408.420	3.871	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(OC)ccc1OC	791245523	ATWYOEVORYCFGX-UHFFFAOYSA-N	414.502	3.706	10	20	HHCD	
COc1ccc(CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c(O)c1	794376675	IEIAJUNNMPPVFF-UHFFFAOYSA-N	416.836	3.773	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CCC(=O)c3cnn(C)c3)c2C)c1	796157681	MIVOBNSMZLZOCB-UHFFFAOYSA-N	407.470	3.525	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)cc1	799242196	ZHUZJVUTQNQMCT-JOCHJYFZSA-N	424.545	3.772	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CN[C@@H](Cc3ccc(F)cc3)C(N)=O)cc2Cl)C1	799979521	HBKJBLKNYIQJEH-QRWLVFNGSA-N	403.929	3.902	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	800996244	PYEULNPNMHAPBY-YLJYHZDGSA-N	412.509	3.619	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c(C)n1-c1cccc(Cl)c1	801432655	ACZDBAKLUXGCTB-LJQANCHMSA-N	415.965	3.932	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCOC2(CCC2)C1	802542508	FYARUXCNAOHHKE-UHFFFAOYSA-N	421.545	3.758	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccccc1	806872776	NOXLKSZAWGZGEZ-ZBEGNZNMSA-N	408.285	3.692	10	20	HHCD	
O=C1CCCCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	813414166	YMALAHXYVMIVAP-HNNXBMFYSA-N	412.452	3.698	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC2(CC1)OCCCO2	815842920	ZAFRXSZUDRPLSJ-UHFFFAOYSA-N	408.458	3.796	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(C)n1-c1ccccn1	914849682	PUIDCIOXHVVEGL-UHFFFAOYSA-N	417.513	3.915	10	20	HHCD	
Oc1ccccc1CN(C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@@H]1CCCO1	916633082	GUGGSIURDQTMOV-WRALFONMSA-N	411.542	3.828	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H]3C3CCCC3)cc2F)C[C@@H](C)O1	917835764	IFRURBDMWASILI-JBYIUTFZSA-N	417.569	3.710	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)n2)c(C)o1	918196047	KTDXBOKXCOTMTA-UHFFFAOYSA-N	405.501	3.523	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)N1CCCC[C@H]1C	918212414	UEXKKJFHHWCGNT-FCGDIQPGSA-N	420.573	3.501	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3CC)CC2)cc1	1116350570	FZQBKAUDLWEYJG-UHFFFAOYSA-N	404.514	3.796	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)C1CCN(c2ccccc2[N+](=O)[O-])CC1	1321102996	DYORAGXRAYPBEM-UHFFFAOYSA-N	401.810	3.640	10	20	HHCD	
Cc1cc(CCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1-c1ccccc1	1331825554	DTNJVTFXZKUXGO-UHFFFAOYSA-N	417.431	3.634	10	20	HHCD	
CN(C)c1ccc(CNC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1	7896239	GWDCRVZGDAMTDT-UHFFFAOYSA-N	403.482	3.700	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1Oc1cccnc1	51982979	WWDGQFRPLSQKQK-UHFFFAOYSA-N	407.445	3.780	10	20	HHCD	
Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[nH]n1	97358676	LSCUGYNUHQXBNW-UHFFFAOYSA-N	406.534	3.690	10	20	HHCD	
C[C@@H](NC(=O)c1cc(F)cc(Br)c1)c1ccc(N2CCOCC2)cc1	109179508	KBBJZZDYCZOPNF-CYBMUJFWSA-N	407.283	3.916	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3occc3CS(=O)(=O)c3ccccc3)ccc21	109461229	KQXMXKMGSISJTA-UHFFFAOYSA-N	424.522	3.566	10	20	HHCD	
O=C1CCCN1C[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1cccc(C(F)(F)F)c1	238086799	KQQPPMVPBAEQPR-KRWDZBQOSA-N	423.391	3.773	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CCc2nc3ccccc3n2-c2ccccc2)c1	303599850	UVVNUUKGQVXPMU-UHFFFAOYSA-N	401.466	3.989	10	20	HHCD	
CCC(CC)C(=O)N1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1	590700486	PZFLDOYKLGQFLB-UHFFFAOYSA-N	413.562	3.625	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)ccc21	726250214	UBLIEAYEELJUDM-UHFFFAOYSA-N	416.566	3.515	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CNC(=O)CCC2CCCC2)cc1	726526467	YLWWGJUEAGGRNR-UHFFFAOYSA-N	411.546	3.961	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3OCCO4)n2)c(C)c1	727243444	JUIGESGENFFBLP-UHFFFAOYSA-N	402.497	3.999	10	20	HHCD	
CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C2CC2)no1	727940085	BLPKKZJOYLUNIC-BEFAXECRSA-N	413.522	3.541	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	730143644	ZQEYZVNAQSBCEZ-SFHVURJKSA-N	404.555	3.541	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCC(=O)NC3CCCCC3)cc2)CC1	731049740	MSNPEGPFPJXXNC-UHFFFAOYSA-N	400.567	3.561	10	20	HHCD	
CCc1cccc2c(CCNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c[nH]c12	732470899	WUFKJHZCSIZDPD-UHFFFAOYSA-N	420.557	3.951	10	20	HHCD	
C[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccnc1	733385502	HUHVQLCVWKRBSL-GFCCVEGCSA-N	402.362	3.683	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3oc4ccccc4c3CN(C)C)CC2)cc1	733891325	MGZXQEIKNVDQKA-UHFFFAOYSA-N	407.514	3.856	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1ccc(F)cc1)CC1CC1	734526376	QKFLDTIGKGXWEQ-UHFFFAOYSA-N	415.484	3.923	10	20	HHCD	
O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	740801272	UARJFQFGLJDJHL-UHFFFAOYSA-N	406.446	3.808	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	741077915	AWOOXOZHMQRPPX-PWRODBHTSA-N	417.619	3.975	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H](C)c3ccc(C)cc3)CC2)cc1	742948582	ZPHWFMUNEDNEIM-FQEVSTJZSA-N	410.562	3.528	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1C(F)(F)F	743050415	QXKZSGMEWAIISF-UHFFFAOYSA-N	402.423	3.672	10	20	HHCD	
CC(=O)OCCN(C)c1ccc(/C=C2\N=C(c3cc4ccccc4[nH]3)OC2=O)cc1	743278005	CAXLMCPMHHNMGV-BKUYFWCQSA-N	403.438	3.512	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N(C)[C@H]3CCCc4ccccc43)CC2)cc1	743363904	XIDFEGVZYWIYCV-DEOSSOPVSA-N	422.573	3.536	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C[C@H](C)S1	743555114	QCAUFMZNSMPQQF-KBPBESRZSA-N	417.497	3.577	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@@H]2CN(Cc3ccccc3)CCO2)ccc1N1CCCCC1	743621848	GKTNPAXVBWAWAP-JOCHJYFZSA-N	424.545	3.576	10	20	HHCD	
C[C@H](C(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O	744349259	DSWXRFHOJNFTQU-OJRASUONSA-N	418.453	3.591	10	20	HHCD	
C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1	748020576	XVCJSWVHIUBENW-QGZVFWFLSA-N	408.546	3.691	10	20	HHCD	
CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)ccc21	748860163	VUFJGUFVMZGODH-UHFFFAOYSA-N	417.487	3.659	10	20	HHCD	
COc1ccc(CN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1	749189773	XQGNXPCRAQWOFW-UHFFFAOYSA-N	420.460	3.502	10	20	HHCD	
Cc1cccnc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	750515838	HDUAVIAYJJFZQL-UHFFFAOYSA-N	406.438	3.608	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ncccc3C)c2C)cc1	750517903	SWXVCBWJOMHQDS-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)c1	751811948	BHMQWPHFVXEMEJ-CABCVRRESA-N	409.527	3.700	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c(C)n1-c1ccccn1	752324223	MCPQKALZUIUBFB-QAPCUYQASA-N	412.534	3.864	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc4c(cc3Cl)OCO4)CC2)cc1F	753867596	SIFHIXRNVCYQQG-UHFFFAOYSA-N	407.829	3.571	10	20	HHCD	
C[C@H]1C[C@@H](NCc2ccccc2S(=O)(=O)NC(C)(C)C)c2c(O)ccc(F)c21	756467450	VLJXBIACXHZKPM-XJKSGUPXSA-N	406.523	3.946	10	20	HHCD	
CC(C)C(=O)NCCCN[C@@H](C)c1cc(Br)cc(Br)c1O	756769038	IIDNYYPKAUOWOS-JTQLQIEISA-N	422.161	3.730	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1	756774034	DXNWHPLFEABHEK-LVXYXVKQSA-N	418.921	3.555	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(C(=O)NCCCSc3nccs3)CC2)s1	759584554	ARZVAWATJDFUEP-UHFFFAOYSA-N	424.617	3.599	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C\c3cccc(-n4cccn4)c3)SC2=S)c1	760212828	VNFXZKUSQAJRQO-GZTJUZNOSA-N	407.476	3.976	10	20	HHCD	
COc1cc(Cl)cc(CNc2cccc(CS(=O)(=O)NC(C)(C)C)c2)c1O	761202410	WVMYKIRXKYBOMA-UHFFFAOYSA-N	412.939	3.884	10	20	HHCD	
Cc1cc(C)c(Br)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	763974685	VTCYSUFVDNIWSY-UHFFFAOYSA-N	403.320	3.833	10	20	HHCD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2cccc(Br)c2O)c1	764763490	WNFYBZCONGBLNO-LLVKDONJSA-N	406.280	3.674	10	20	HHCD	
CCOc1ccc(O)c(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1	768313019	QOFMUDCTCIDFHS-UHFFFAOYSA-N	408.420	3.768	10	20	HHCD	
COc1cc2c(c(OC)c1OC)CCN(Cc1cccc(Br)c1O)CC2	769537500	LGLVWZIPIRUNPP-UHFFFAOYSA-N	422.319	3.781	10	20	HHCD	
C[C@@H]1Cc2ccccc2N1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769646917	JEURWORQKQJCEC-CYBMUJFWSA-N	414.508	3.846	10	20	HHCD	
C[C@H](NC(=O)N1CCc2c(cccc2N2CCOC2=O)C1)c1ccc(N(C)C)cc1	773619277	RXDVOZNAMRQVHP-INIZCTEOSA-N	408.502	3.538	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1O	774911466	GQEFQEXOOMMLMQ-UYAOXDASSA-N	411.502	3.796	10	20	HHCD	
Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1	775608114	UCGFOLFWTYBIDW-UHFFFAOYSA-N	413.481	3.939	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cc1F	776066530	AUOVMVJFULIAAB-UHFFFAOYSA-N	410.493	3.903	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)cc1	778111297	YMUQRUAIQTZNRC-UHFFFAOYSA-N	421.472	3.958	10	20	HHCD	
Cc1cc(F)c2nc(O)cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2c1	778648498	BUYXEUZIXJVPKC-OAHLLOKOSA-N	409.461	3.716	10	20	HHCD	
Cn1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c(-c2ccccc2)n1	779626148	AJMPTGAWECOTLY-UHFFFAOYSA-N	407.543	3.962	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(-c3ncn(C)n3)cc2)cc1	779809297	WCQIGHXCNMATMW-UHFFFAOYSA-N	415.497	3.984	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(OC4CCCC4)c3)CC2)cc1	783708174	NNSLCCPGRGCVFS-UHFFFAOYSA-N	410.514	3.988	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@H](c1ccccc1)C1CCC1	789854752	DHRXQTQFTGOOTO-JOCHJYFZSA-N	423.582	3.514	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(N(C)C)cc1	793061186	GYDZYVWBJVHDFE-GUYCJALGSA-N	411.424	3.745	10	20	HHCD	
C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(C(F)(F)F)c1O	798183599	OHQBWXDUNCEONM-VPWXQRGCSA-N	408.464	3.945	10	20	HHCD	
Cc1nnc(COCC(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)s1	803727455	QANODGMFMAZSHC-UHFFFAOYSA-N	413.499	3.505	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1	804541025	LOMBIRWTGCEISO-MSOLQXFVSA-N	417.600	3.659	10	20	HHCD	
O=C1CCc2cc(Cl)c(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3O)cc21	805134673	GENDVUAEEAHYCZ-UHFFFAOYSA-N	420.701	3.960	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCCCC(=O)N3CCCCC3)ccc21	805443009	MBDWBRVJKIZOBG-UHFFFAOYSA-N	400.519	3.854	10	20	HHCD	
C[C@@H]1CC[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)[C@H](C)C1	806190631	BXTBNBLAFZCDGJ-HMFYCAOWSA-N	411.546	3.815	10	20	HHCD	
C[C@@H](NC(=O)c1cc(Br)ncc1Cl)c1ccc(N2CCOCC2)cc1	806614281	PBSYIKNDPMGKJV-GFCCVEGCSA-N	424.726	3.825	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1SCCc2ccccc21	807687998	WGOHAFHAZVBJKD-OAQYLSRUSA-N	412.555	3.668	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	808095776	RZKZFOIPMFLKII-INIZCTEOSA-N	421.921	3.700	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)c2cc[nH]n2)c(C)n1-c1ccc(OC(F)F)cc1	915057451	ARNBDDMBKNHIMD-ZDUSSCGKSA-N	403.385	3.847	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1	916111235	GCLZFVRXKQSUBP-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
CC(C)c1ccc(OCCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	918216484	QLMHTQQAWIVOOR-UHFFFAOYSA-N	415.509	3.664	10	20	HHCD	
CCc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)N(C)C)cc1	920921756	RPPGPAMWPPAHJN-YADARESESA-N	424.589	3.749	10	20	HHCD	
O=C(COc1ccccc1OCC(F)(F)F)Nc1c(Cl)ccc2nonc12	1117547005	FHOTVTRRRDFVHG-UHFFFAOYSA-N	401.728	3.835	10	20	HHCD	
C[C@@H]1CC[C@@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H](n2cncn2)C1	1345102842	HKHWTEVWYSRJPF-CDHQVMDDSA-N	405.493	3.868	10	20	HHCD	
Cc1ccccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C2	1799592543	CDKQKPVUISUESJ-MUJYYYPQSA-N	414.889	3.625	10	20	HHCD	
CCOC(=O)/C(=C/c1ccc(N2CCOCC2)cc1)c1nccn1Cc1ccccc1	141593522	CZHMQZLCFWTLND-PTGBLXJZSA-N	417.509	3.872	10	20	HHCD	
CCOCCCN1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@@H](C)C1	303726563	SXJRNLCYEPRVRY-UUOWRZLLSA-N	422.573	3.833	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3ccc(C(=O)OC)cc3)ccc21	482053161	MJMPCXKJWYZJRB-UHFFFAOYSA-N	408.498	3.664	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(N4CCNC4=O)c3)ccc21	482756964	DETYKTDLCDSCBH-UHFFFAOYSA-N	406.486	3.686	10	20	HHCD	
O=C(NCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1	725848736	FSPNTYCVRZDGNN-UHFFFAOYSA-N	416.909	3.758	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)CC2)cc1	726715669	VXJZAQAHKKQJHD-UHFFFAOYSA-N	421.541	3.969	10	20	HHCD	
O=C(CCc1ccc(OC(F)(F)F)cc1)NCc1ccc(N2CCOCC2)cc1	727375250	ZXKBPVZIIDTDPH-UHFFFAOYSA-N	408.420	3.671	10	20	HHCD	
CCOc1ccc(OC(C)(C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	728300944	GMEKPTNWVAIGHD-UHFFFAOYSA-N	412.530	3.738	10	20	HHCD	
COc1cccc(CNC(=O)CSc2nccn2-c2cccc(Cl)c2C)c1O	729858769	BXKODIBSEURLAL-UHFFFAOYSA-N	417.918	3.957	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)C2CC2)cc1	730137597	XAXQNLITLYLIJT-SFHVURJKSA-N	414.500	3.984	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCOc3c(C)cccc3C)cc2F)CC1	730194822	QFPFNGOJWJDJIO-UHFFFAOYSA-N	413.537	3.670	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)COc3cccc(N4CCCC4=O)c3)cc2)CC1	731015975	FFZNYCFHRYMQNA-UHFFFAOYSA-N	421.541	3.745	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccco2)cc1F	731347358	VIDJXMSKXFDUPH-LJQANCHMSA-N	401.482	3.576	10	20	HHCD	
Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1Oc1cccnc1	731455614	MLYYYPJCGMEODC-UHFFFAOYSA-N	413.455	3.512	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCSc1nccs1	733972868	NNNJOUXHKLTHAD-CRAIPNDOSA-N	417.600	3.741	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(N(C)CCCO)CC3)c2C)cc1F	734487910	ZCSBPQJRZOPFKB-UHFFFAOYSA-N	415.553	3.503	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1	734501415	XCDZWBDDGVLTBH-UHFFFAOYSA-N	402.438	3.579	10	20	HHCD	
Cc1oc2c(CN3CC[S@](=O)[C@H](C)[C@H]3C)c(O)ccc2c(=O)c1-c1ccccc1	736597185	CIXOKJBGYBSLPB-KSIJVBBXSA-N	411.523	3.815	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(NC(=O)NC2CC2)cc1	740919397	QTQOHUPKABZWQK-KRWDZBQOSA-N	419.529	3.907	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](C[S@](C)=O)c3ccccc3)c2C)cc1	742197988	CFZGLGJWBZGLIB-MNNSJKJDSA-N	410.539	3.952	10	20	HHCD	
CC(C)=CC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	742583840	PSYCRKJGARRCDW-LJQANCHMSA-N	421.541	3.597	10	20	HHCD	
O=C([C@H]1CCCN(Cc2cccnc2)C1)N(Cc1ccco1)Cc1ccccc1O	743430275	IBARFQGUZMQEIT-NRFANRHFSA-N	405.498	3.821	10	20	HHCD	
O=C(CN1CCC[C@@H](N2CCNC2=O)C1)Nc1ccc(N=Nc2ccccc2)cc1	744200415	IZGUMCSSXYVNDH-HXUWFJFHSA-N	406.490	3.530	10	20	HHCD	
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	745824885	MFTZVXQYFZUTNM-MJGOQNOKSA-N	401.551	3.884	10	20	HHCD	
Cc1cc(C(=O)N(C)C[C@H](O)COCCOC(C)C)c(C)n1-c1cccc(Cl)c1	747419582	LYTKAOCUDSJDPK-FQEVSTJZSA-N	422.953	3.622	10	20	HHCD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2O)cc1	748443545	QRRYUXPPUQKAEI-UHFFFAOYSA-N	417.531	3.667	10	20	HHCD	
CCCCCn1nc(C)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	748980263	JBRMTMSEPQANEC-UHFFFAOYSA-N	424.501	3.848	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC3CCC(OC(C)C)CC3)cc2F)CC1	752664759	JSNTUJNKSZQOAT-UHFFFAOYSA-N	420.573	3.503	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(c2cccc(F)c2)CC1	752897034	XVMWCTQQUXGBPR-UHFFFAOYSA-N	415.484	3.891	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OCC(F)(F)F)cc3)CC2)cc1F	753729665	DQYUMUXHBQFMBC-UHFFFAOYSA-N	412.383	3.738	10	20	HHCD	
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754553521	WSNJTBIUPNUOLM-FQEVSTJZSA-N	418.493	3.828	10	20	HHCD	
CO[C@](C)(C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1F	758092955	LLWKBFWFOOCIRW-LNPFQXMTSA-N	418.484	3.756	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1	759362015	KPYGNAVDRVIGLA-QFIPXVFZSA-N	411.546	3.605	10	20	HHCD	
COc1ccc(C)cc1NC(=O)CNC(=O)CSc1ncc(C(C)(C)C)s1	759714789	UGNWMVZWKBMPEA-UHFFFAOYSA-N	407.561	3.605	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](Cc1nc(C)no1)c1ccccc1	759866994	IKTTZEBNSJXNNL-NRFANRHFSA-N	407.518	3.960	10	20	HHCD	
Cc1c([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cnn1-c1ccccc1	765256678	VTYBVLPTNLAWFE-GHTZIAJQSA-N	417.557	3.733	10	20	HHCD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2cccc(Br)c2O)c1	765726638	IFPCEEMRKLMSDF-HIFRSBDPSA-N	406.276	3.592	10	20	HHCD	
CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1	766601142	PDRCWBVQBJTKGN-FTJBHMTQSA-N	423.601	3.933	10	20	HHCD	
O=C(CC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1)N1CCCC1	768893979	ARTMPPKJNPWDLC-UHFFFAOYSA-N	414.550	3.810	10	20	HHCD	
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCCc1ccc(O)c(O)c1	768900455	YNELDPPZCRJKLB-UHFFFAOYSA-N	414.458	3.832	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1-n1cccn1	768911169	CUOSFJFKWZAXFO-SFHVURJKSA-N	410.905	3.626	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2c2ncnc3sc(C)cc23)c1	771012509	MBHWOHAWBAADTA-DYVFJYSZSA-N	412.515	3.560	10	20	HHCD	
CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)cc1	771824717	ROSDQUZYJQTFGC-LJQANCHMSA-N	409.578	3.819	10	20	HHCD	
Cc1cc(Br)cc(CNC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1O	775166799	ACHASIFBCOKMAB-GFCCVEGCSA-N	418.253	3.821	10	20	HHCD	
CC(C)C[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	775197627	NRIJAXIPVAJIDT-YADHBBJMSA-N	424.541	3.803	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	775779249	VOYXUURQKGVCAR-GOTSBHOMSA-N	409.530	3.918	10	20	HHCD	
CCOC(=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1	776021118	IPKXUFWTMOZBQU-UHFFFAOYSA-N	412.408	3.602	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN[C@@H]1CCCc2c[nH]nc21	776251551	LXZUOFXXIAKIAP-GFCCVEGCSA-N	401.102	3.808	10	20	HHCD	
COC(=O)Cn1ncc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C	776561856	AFTTVHNVXQOKKU-UHFFFAOYSA-N	400.866	3.678	10	20	HHCD	
COCCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C	777217288	KCAJECHKURKAJP-DHIUTWEWSA-N	414.546	3.768	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1O	779029873	LAQUDMXMGYTDRC-RDTXWAMCSA-N	403.320	3.915	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1	780321599	ITCYSVPJFZXUTG-QHCPKHFHSA-N	417.509	3.636	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(OC(F)(F)F)cc1	780361120	MVWHBPMDGKYYCM-CVEARBPZSA-N	410.436	3.878	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)c(OC(F)F)c(C)c3)c2)CC1	781046999	LVVOVWWAPBRMHE-UHFFFAOYSA-N	417.456	3.826	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1	783405910	LJBYIAAOVJNSHG-UHFFFAOYSA-N	413.522	3.940	10	20	HHCD	
CCOc1cccc2cc([C@H](C)NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)oc12	785537431	HNCRVEJJWBICBV-INIZCTEOSA-N	423.513	3.700	10	20	HHCD	
O=C(NCCc1c(F)cccc1F)C(=O)N(Cc1ccccc1O)C1CCCCC1	787911268	OGNQLZBHGFGHSH-UHFFFAOYSA-N	416.468	3.691	10	20	HHCD	
CC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)sc2C1	789371141	KLACTWQDFFYJHS-OAHLLOKOSA-N	412.559	3.513	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc(-n2cccn2)c1	791967086	RWYQUWBVGXQXTD-UHFFFAOYSA-N	423.542	3.756	10	20	HHCD	
COc1cc(O)c(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1OC	793372680	YGZJEQSKVQTIMW-CQSZACIVSA-N	405.800	3.905	10	20	HHCD	
COc1ccc(CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c(O)c1	794387940	PIOMDNVMZFSNHN-UHFFFAOYSA-N	402.903	3.960	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1	801883412	BOZSZGDKDWLLJY-LLVKDONJSA-N	411.380	3.741	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)C(C)C)c1	802610031	QRRDJYGFOHHSEA-UHFFFAOYSA-N	411.502	3.754	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl	804005703	FVZZFLGNKUJHDX-CQSZACIVSA-N	422.356	3.731	10	20	HHCD	
C[C@@H]1CSC[C@H]1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	804503327	CFNHJYMVJYSAMO-SSFKREKASA-N	412.627	3.597	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CN(C(=O)OC(C)(C)C)C1	806666986	TVRQVUIDNJELGQ-KRWDZBQOSA-N	401.551	3.796	10	20	HHCD	
CCOC(=O)N1CCC(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1	807020141	GVUYKCJXHIMGMC-UHFFFAOYSA-N	412.534	3.557	10	20	HHCD	
CCOc1ccc(CN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C(C)C)cc1	807677472	PITXQUJUIFNJCF-SFHVURJKSA-N	411.546	3.766	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)cc1	808027910	OFBLBKDGSDBLSU-UHFFFAOYSA-N	418.534	3.685	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)C2CC2)cc1	809193531	PVDMNZKZMWHINW-FGZHOGPDSA-N	419.569	3.771	10	20	HHCD	
O=C(COc1cc(F)cc(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	810318481	BTTLRECNUMWZEX-UHFFFAOYSA-N	412.383	3.730	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc(Cl)ncc1Br	811460183	ZVRZBQUVIIRXGF-UHFFFAOYSA-N	420.488	3.896	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)sc2nc3n(c(=O)c12)CCC3	914479376	BVDAVQHVSFXNED-UHFFFAOYSA-N	422.554	3.583	10	20	HHCD	
CCNC(=O)COc1cccc(NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1	915343376	KJADEIWIIWPDOQ-UHFFFAOYSA-N	412.534	3.712	10	20	HHCD	
CC(C)COc1ccccc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	918039003	QRSDMODHRCIZMH-LJQANCHMSA-N	424.545	3.745	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)Cn2ccnc2)c(C)n1-c1ccccc1Br	918585654	UNQNJTCAJOJQIX-CYBMUJFWSA-N	401.308	3.872	10	20	HHCD	
CCc1cc(OCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1Cl	1115881251	JMVBBKCIHDMKSQ-UHFFFAOYSA-N	418.921	3.549	10	20	HHCD	
CC(C)c1nc(C(=O)Nc2c(Cl)ccc3nonc23)nn1-c1cccc(F)c1	1117548818	WIIFMVLYXCEXSF-UHFFFAOYSA-N	400.801	3.972	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CSCc3cccs3)cc2F)CC1	1326911441	VKMZIQAEBBCQFM-UHFFFAOYSA-N	407.580	3.579	10	20	HHCD	
CCOC(=O)CCN(C)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	195699145	UIVRXLLTPJGWPL-UHFFFAOYSA-N	407.308	3.882	10	20	HHCD	
O=C(CCc1nc(O)c2ccccc2n1)N(Cc1ccco1)Cc1ccccc1O	253614584	RNSIRNNDEKUIRD-UHFFFAOYSA-N	403.438	3.796	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CCc4ccccc43)cc2F)CC1	303338242	VMQCCONWVDVWGF-JOCHJYFZSA-N	410.537	3.797	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc(C(F)(F)F)c1	472030591	TWLHURNNJRKUCE-UHFFFAOYSA-N	407.392	3.769	10	20	HHCD	
COc1ccc(CC[C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	726245628	LFLVGGBJTUZERP-RTBURBONSA-N	411.546	3.913	10	20	HHCD	
CNC(=O)c1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)c([N+](=O)[O-])c1	726594055	FPIMNNXOIISILU-UHFFFAOYSA-N	420.416	3.637	10	20	HHCD	
CCc1nc(CCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cs1	726611429	QNFHSFBSGPNNNR-HUUCEWRRSA-N	420.554	3.500	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc(OC)c1OC	727175877	BZAKTALMAORWGW-MHWRWJLKSA-N	424.588	3.501	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nc(-c2ccncc2)no1	728129250	UJIRIMDEVXVZLZ-HXUWFJFHSA-N	420.517	3.928	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)c1ccccc1	728130258	WMZJHXBGFNCQFM-QGZVFWFLSA-N	413.537	3.952	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCc3nc(O)c4ccccc4n3)cc2)CC1	731014737	IKXLQCZNYJWVGX-UHFFFAOYSA-N	404.514	3.821	10	20	HHCD	
Cc1nnnn1-c1cc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1F	731107576	GTIKRICGDROTBJ-UHFFFAOYSA-N	423.496	3.668	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C2CCN(C(=O)OCC(C)C)CC2)cc1F	731347360	VJVVHEPGRKEVHQ-UHFFFAOYSA-N	407.530	3.793	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)cc1	731764627	ZSYUBVLFCYAPKC-UHFFFAOYSA-N	410.562	3.975	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(=O)oc2cc(C)c(C)cc12	731844771	IYCPTAHFGGREST-UHFFFAOYSA-N	415.873	3.944	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@H]2CCCO2)c(C)n1-c1cccc(Br)c1	734446251	UUGNPXCIBVUMRK-GOSISDBHSA-N	421.335	3.782	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(OCc3ccccc3C)c2)c1O	737284397	LLYBRZCBHKOULI-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	739527651	UTZMGBPRXCPASR-FYYLOGMGSA-N	407.558	3.519	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CC2)cc1	741145795	MHOINIHITGRYMK-DEOSSOPVSA-N	407.558	3.789	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](Cn3cccn3)c3ccccc3)CC2)cc1	741424296	KUTCXHFBTLVCHT-QHCPKHFHSA-N	419.529	3.555	10	20	HHCD	
C[C@H]1CCN(CCOc2ccc(NCc3ccc(N4CCOCC4)c(F)c3)cc2)C1	744449753	MXPWMZHIQCHKRO-IBGZPJMESA-N	413.537	3.995	10	20	HHCD	
Cc1ccccc1[C@H](CO)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746769222	GCJJLTGBKSCERB-JXFKEZNVSA-N	419.472	3.598	10	20	HHCD	
C[C@@H](NC(=O)c1sc(N2CCCC2)nc1Cl)c1ccc(N2CCOCC2)cc1	746890474	KSLRQACOWVDDDI-CQSZACIVSA-N	420.966	3.724	10	20	HHCD	
COC(=O)[C@@H](O)C1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1	747519699	CEHLGSRYZLFSJU-QFIPXVFZSA-N	412.530	3.604	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3oc(C)nc3C)c2C)cc1	748205214	DPQYAYUYTAQRIW-UHFFFAOYSA-N	410.426	3.525	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1	749020644	ALEMADGUWZMKOB-UHFFFAOYSA-N	414.521	3.811	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1OCCc2ccccc21	749856520	SQOBENGTVPGVEA-OXJNMPFZSA-N	402.441	3.687	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(F)c(F)c2F)c1	750612863	XVNWMPKECJYJAR-UHFFFAOYSA-N	413.399	3.848	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1nc(N2CCCC2)ncc1Cl	751301456	DCQAGRYLUMXOLQ-UHFFFAOYSA-N	419.876	3.692	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-n4cccc4)nc3)cc2F)C[C@H](C)O1	753200587	KMQXTGUKDMTWRM-IRXDYDNUSA-N	408.477	3.555	10	20	HHCD	
COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cncc(Cl)c3)n2)c1	754692708	AHEHOIOSRYMXMK-UHFFFAOYSA-N	411.892	3.677	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cccc1-c1ccccn1	754881206	SYCAMOOSPSYMKP-UHFFFAOYSA-N	405.473	3.963	10	20	HHCD	
C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)cc(F)c1O	756674141	IOFQMUZXDYNBGS-PXAZEXFGSA-N	407.283	3.746	10	20	HHCD	
C[C@H](N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(Br)cc1O	756678818	YNZLQYRIWYZNBA-JQWIXIFHSA-N	411.246	3.889	10	20	HHCD	
COC(=O)c1sc2nc(/C(Cl)=C/C3=S=C(C(C)C)N=C3)nc(O)c2c1C	758427286	XRISNBUQPLWMCX-YHYXMXQVSA-N	409.920	3.848	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@H](O)c1cc(Cl)cc(Cl)c1	759600291	CVAWZDBSGRJLNL-ZDUSSCGKSA-N	406.360	3.965	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc(OC)c1OC	759873597	WGOVABIOJYEZFI-UHFFFAOYSA-N	421.881	3.596	10	20	HHCD	
Cc1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)ccc1Br	761413888	DKEIQRPBQOXIQW-UHFFFAOYSA-N	424.276	3.552	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3COc4ccc(Cl)cc43)CC2)cc1	762060325	ITHPNDROLGGUMV-IBGZPJMESA-N	401.894	3.750	10	20	HHCD	
CC(=O)c1cc(CN(C)Cc2ccc(F)c(Cl)c2)c(O)c(CN2CCOCC2)c1	762108047	QTWDGALLFPRKKG-UHFFFAOYSA-N	420.912	3.852	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2OCC(F)F)cc1	762415723	IJGBWMFPFBHBBJ-UHFFFAOYSA-N	419.472	3.774	10	20	HHCD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)c1ccc(OC(C)C)cc1	763541984	CCMSXFPJRQSDNZ-MRXNPFEDSA-N	411.955	3.628	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	764895354	QGEIQNOJYFETRU-UHFFFAOYSA-N	400.435	3.848	10	20	HHCD	
Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc4c(c3)CCCN4C)n2)cc1	765335992	BXFZEQLDGCAMTB-UHFFFAOYSA-N	407.543	3.571	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1Cl	765390119	AIKYTKDAAMTGAT-DLBZAZTESA-N	401.938	3.532	10	20	HHCD	
COc1sc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1Br	768208459	QOVXFQFGLKVUHS-UHFFFAOYSA-N	411.365	3.988	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(=O)c2ccccc2o1	768912619	PXFKWYQJVUFRAR-MRXNPFEDSA-N	412.873	3.546	10	20	HHCD	
O=C(c1cc(-c2ccc3c(c2)CCO3)no1)N(Cc1ccccc1O)C[C@H]1CCCO1	771565019	HRUDXJLJQUMWAF-LJQANCHMSA-N	420.465	3.804	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1ccc(OCc2ccccc2)cc1	772770164	RTZMXCZESYCKMT-QPEQYQDCSA-N	419.433	3.872	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)c1O	775063371	SJJUOLAQKWZHLW-KRWDZBQOSA-N	402.838	3.575	10	20	HHCD	
CC(C)[C@H](CNC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	775256439	XZKHPRXKOYXBTJ-RDPSFJRHSA-N	409.574	3.730	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNCc3ccc4c(c3)CCC(=O)N4C)cc2F)C[C@@H](C)O1	775306095	KENKHSTWUQJMTB-IAGOWNOFSA-N	411.521	3.638	10	20	HHCD	
CC[C@H](NCc1ccc(OCC(N)=O)c(OC)c1)c1ccc(Cl)c(Cl)c1O	775498381	YVKRFAWAQQAQJE-AWEZNQCLSA-N	413.301	3.813	10	20	HHCD	
COc1ccc(O)c(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1	776248843	QFRNHXDXWHPEKL-UHFFFAOYSA-N	416.474	3.631	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1	779353148	UHWPDBVVFYKINN-FUHWJXTLSA-N	404.555	3.506	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]3C2)c1O	784522466	HHGNZSTUMICIET-KYNGSXCRSA-N	406.498	3.859	10	20	HHCD	
C[C@@H]1[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCN1C(=O)OC(C)(C)C	787142492	WFRREUPTBONCGF-NEWSRXKRSA-N	418.534	3.545	10	20	HHCD	
COC(=O)c1cccc(NC(=O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)n1	787274157	FHHDFZSNTVZPMC-KRWDZBQOSA-N	419.481	3.776	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1nc2c(s1)CCCCCC2)c1ccc(N(C)C)cc1	789743472	HOJXPWJRMMMUBY-CQSZACIVSA-N	400.548	3.684	10	20	HHCD	
CCN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cn1	790107423	GZXCXKWDVYBSAW-YVLHZVERSA-N	412.540	3.902	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(-c2ccco2)[nH]n1	791246634	PIIIURCGNAHVFV-UHFFFAOYSA-N	410.474	3.672	10	20	HHCD	
COc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)c(O)c1	793389149	XMPSUIIEFYTDIP-UHFFFAOYSA-N	400.482	3.997	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)C1	794032994	JLJZNHVNUYFKAK-YEODSOHDSA-N	416.518	3.607	10	20	HHCD	
CCOc1ccc(O)c(CNc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)c1	796403758	ZVNOEYSAKLGQGW-UHFFFAOYSA-N	422.547	3.832	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3cc(C(=O)OC)cs3)cc2F)CC1	796756068	QUFQXDPBZUYKQZ-HNNXBMFYSA-N	405.539	3.667	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC[C@@H]1CCC(F)(F)C1	797430459	HVQUEKLVAFDTON-CYBMUJFWSA-N	421.410	3.777	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H]1CCCN1C1CCCCC1)c1ccc(N2CCOCC2)cc1	798061069	SLMJGYZQLWBGTM-XXBNENTESA-N	414.594	3.681	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1	798275930	WVFKCEOHRQIYHL-DEOSSOPVSA-N	416.610	3.565	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCCOc2ccc(I)cc2)c1	800984652	YBFGHPREECUDSE-LBPRGKRZSA-N	413.255	3.735	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21	802610279	YFRNFVIXKDKKQV-IBGZPJMESA-N	407.514	3.537	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(Cl)c1Cl	803688726	ZXGAKXZKKGAFTR-CYBMUJFWSA-N	420.340	3.869	10	20	HHCD	
Cc1ccccc1[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C	805877829	UNPDLNHAMFTFLH-NFBKMPQASA-N	424.541	3.722	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](c1ccccc1)N(C)C	806440229	NUDPIKVNEMEIBI-GCJKJVERSA-N	412.603	3.730	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cnn(C)c2-c2ccccc2)cc1	806847944	ZUMVIQRVQREQRX-UHFFFAOYSA-N	419.529	3.530	10	20	HHCD	
CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1O	812031580	RUJREVOJVYAOSK-QGZVFWFLSA-N	415.538	3.755	10	20	HHCD	
Cc1cc(Br)ccc1NC(=O)CNCc1cc(Cl)c(F)cc1O	816543202	RGKOIWAEQNTWMA-UHFFFAOYSA-N	401.663	3.984	10	20	HHCD	
C[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)N(C)Cc1ccc(N2CCOCC2)cc1	862029144	SHUAHWNZVAELCE-MSOLQXFVSA-N	415.965	3.874	10	20	HHCD	
Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)ccc21	906372914	MFFRGNGPHUOAJB-UHFFFAOYSA-N	421.887	3.709	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3OC(F)F)cc2F)C[C@H](C)O1	917713032	ZKQVASZKZSJRIK-KBPBESRZSA-N	408.420	3.971	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccccc3CN(C)C(C)C)CC2)cc1	918064447	PYCDSIAOZGPKSD-UHFFFAOYSA-N	424.589	3.957	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)cc1	920927610	ZKTXMPJARLLODW-CYBMUJFWSA-N	422.312	3.646	10	20	HHCD	
C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNCc3ccc(N4CCCC4)cc3)c2)C1=O	1322314154	CEDDTGQPJHUVET-VWLOTQADSA-N	418.541	3.802	10	20	HHCD	
COC(=O)CC(C)(C)N(C)Cc1cc(Br)cc(Br)c1O	1323451341	GJAJIYFNELEFJE-UHFFFAOYSA-N	409.118	3.691	10	20	HHCD	
CCN(CC)Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	47293611	QASZPOOWVDYPRF-UHFFFAOYSA-N	413.537	3.559	10	20	HHCD	
COc1ccc(N2CCCN(c3ccc4nnc(-c5ccccc5F)n4n3)CC2)cc1	57139664	PQSAKFYSVDIBBP-UHFFFAOYSA-N	418.476	3.656	10	20	HHCD	
CCCCN1C(=O)C[C@@H](C(=O)N(C)Cc2ccccc2O)[C@@H]1c1ccc(OC)cc1	71963592	APFFFGVAPCLSQX-OFNKIYASSA-N	410.514	3.749	10	20	HHCD	
COc1ccc(N2CCCN([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1	97494616	XEYQWCMPSIRDIQ-VEDPWSRISA-N	411.590	3.681	10	20	HHCD	
O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(N2CCCCC2)cc1	116034645	QUBVMAKVIFBAEX-UHFFFAOYSA-N	408.498	3.727	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)n(C)c2ccccc12	575017317	TZCOJUFISIAMSB-UXHICEINSA-N	403.526	3.631	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1COc2ccccc2C1	726706895	VJVFCRIZSAETSM-QGZVFWFLSA-N	417.456	3.560	10	20	HHCD	
Cc1oc2c(CN3CCC[C@H](CCC(N)=O)C3)c(O)ccc2c(=O)c1-c1ccccc1	727167109	GDOVKBCZEKVRGU-QGZVFWFLSA-N	420.509	3.952	10	20	HHCD	
CCc1cc(N2CCC[C@H](NC(=O)N(C)Cc3ccc(N(CC)CC)cc3)C2)ncn1	732914134	LGZHOARNLFVXDX-NRFANRHFSA-N	424.593	3.696	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1	734407407	SZKQJMGMYWSMID-UHFFFAOYSA-N	409.530	3.726	10	20	HHCD	
O=C(CN1CCN([C@H]2CCC[C@H]2O)CC1)Nc1ccc(N=Nc2ccccc2)cc1	734485944	FUWWJHDRTHQXCU-FCHUYYIVSA-N	407.518	3.572	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCn3c(nnc3C(F)(F)F)C2)c1C	739936848	OYQVALXMCFHWIM-UHFFFAOYSA-N	417.435	3.711	10	20	HHCD	
CC(C)CC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1F	742056380	UAGUNUJPNUTAEB-UHFFFAOYSA-N	413.493	3.577	10	20	HHCD	
COCCOc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742798909	CPXLNWDFVHCBQM-QGZVFWFLSA-N	420.456	3.712	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c[nH]1	743045118	AGYIJHSMYCFBHE-UHFFFAOYSA-N	417.512	3.604	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1csc(I)c1	743719716	PKTSFNCKRMMLKF-UHFFFAOYSA-N	413.280	3.867	10	20	HHCD	
Cc1ccc(-c2nc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)co2)cc1	745647820	IOHHQFCYKPSCMZ-UHFFFAOYSA-N	424.476	3.625	10	20	HHCD	
COc1cccc(O[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	745880763	ALDZDOZKXBQYFY-LAUBAEHRSA-N	414.502	3.559	10	20	HHCD	
CCCCn1c(=O)nc(O)c2c1nc(CN(CC)c1ccc(OCC)cc1)n2CC	746158971	MGHKVYOQXWPSRL-UHFFFAOYSA-N	413.522	3.544	10	20	HHCD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	748845886	JDHROCZLTOWSOP-HXUWFJFHSA-N	420.912	3.914	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3c(F)cccc3Br)c2)CC1	749401494	XLURPJISHWVAJV-UHFFFAOYSA-N	420.282	3.542	10	20	HHCD	
Cc1ccc2c(CCNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c[nH]c2c1	749713731	ZYNFPQDDAXOZJV-SFHVURJKSA-N	406.530	3.916	10	20	HHCD	
Cc1cc(N2CCC(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)nc(C)n1	749842243	MIFRLACPXQFUBM-UHFFFAOYSA-N	424.549	3.751	10	20	HHCD	
COc1ccc(N(C)CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c(OC)c1	752124634	LPUXIRFVYUOCRB-ZDUSSCGKSA-N	412.408	3.916	10	20	HHCD	
COc1ccc2c(c1)CC[C@@H](NC(=O)NCc1ccc(N3CCSCC3)cc1)C2	753105617	VWQSIOWIVUYWNX-HXUWFJFHSA-N	411.571	3.605	10	20	HHCD	
Cc1cc(CCCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)s1	753204379	MNUCVKGJWFHQGN-FQEVSTJZSA-N	413.587	3.706	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@@H](c3ccc(F)cc3)c3cccnc3)CC2)cc1	753640807	QCKOGHLGPQKFEP-VWLOTQADSA-N	420.532	3.731	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(CC(F)(F)F)CC3)ccc21	754535662	HUZFLKLJUYQSJG-UHFFFAOYSA-N	416.399	3.675	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(C(F)F)c3Cl)ccc21	755227565	MOZVZUJJIGZGQN-UHFFFAOYSA-N	407.848	3.915	10	20	HHCD	
CN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc2c(c1)OCO2	756655493	XAGRRIBVINTENS-UHFFFAOYSA-N	409.467	3.804	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C/c3cc(C)c(C)cc3C)CC2)cc(OC)c1OC	759241932	KDLSXAOJLDHVGX-BQYQJAHWSA-N	424.541	4.000	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCCC[C@H]1C[C@H](O)c1ccco1	759470863	BKPKDKIXDKGUSJ-VXKWHMMOSA-N	413.562	3.672	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1nc(-c2ccc(F)cc2)cs1	759594123	LAPWBKLJWUNQHW-KRXBUXKQSA-N	414.414	3.556	10	20	HHCD	
CCc1onc(C)c1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	760079807	RRFHLGRHLMXWBX-UHFFFAOYSA-N	412.412	3.723	10	20	HHCD	
O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	761363757	STHWQVINXZDLOK-GOSISDBHSA-N	412.287	3.618	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](CO)COC(C)C)c(C)n1-c1ccc(Br)cc1	762563459	NEHHKUNLTNQFCY-SFHVURJKSA-N	423.351	3.715	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCO[C@H](c2ccccc2)C1	764806921	UACLELUDZOBCCM-RDJZCZTQSA-N	405.292	3.874	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCCCC2)cc1	765332548	RADHUQPLPAWTEC-GCJKJVERSA-N	423.557	3.652	10	20	HHCD	
C[C@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCCC2)cc1	765623764	NWXCHZQWEADPMX-BVZFJXPGSA-N	420.557	3.972	10	20	HHCD	
CC(C)OC(=O)C[C@@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	766030448	OCYXZVWASCWWHT-KRWDZBQOSA-N	411.498	3.883	10	20	HHCD	
Cc1cc(CC(=O)NCCc2cn3c(n2)SCC3)c(C)n1-c1ccc(Cl)cc1	767191646	WUIYOCPKCQUNOB-UHFFFAOYSA-N	414.962	3.951	10	20	HHCD	
O=C(c1cccc2ccccc12)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	768442585	MDQPDNHRYVRJKK-UHFFFAOYSA-N	415.537	3.634	10	20	HHCD	
O=C(COC(=O)[C@H](F)c1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	769163966	DFUMNNDWZOUWTC-OAQYLSRUSA-N	417.392	3.655	10	20	HHCD	
O=C(NCCc1cccs1)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769167656	CJBZXDRFPXCZLT-UHFFFAOYSA-N	423.922	3.586	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1nccn2c(Br)cnc12	769713686	ACVYCXXIEZKPDE-UHFFFAOYSA-N	416.323	3.609	10	20	HHCD	
CC1(C)C[C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc21	770346270	BWKQWCUVDURDJA-GCJKJVERSA-N	420.557	3.610	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	770756487	MGMFWVMJZQLBDZ-KKSFZXQISA-N	417.550	3.954	10	20	HHCD	
CCOC(=O)c1c(COC(=O)/C=C\c2ccc(O)c(O)c2)nc2ccccc2c1C	772774178	HKRSWMJTKRHKEK-LUAWRHEFSA-N	407.422	3.888	10	20	HHCD	
C[C@H](NCCCC(=O)N1Cc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1	772982421	VLKWHLMRENGOAI-SFHVURJKSA-N	411.521	3.636	10	20	HHCD	
C[C@@H](NCC1(N2CCCCC2)CCOCC1)c1ccc(N2CCOCC2)cc1Cl	772982447	VWTGMMRURYGXJU-LJQANCHMSA-N	422.013	3.862	10	20	HHCD	
C[C@H](NC(=O)N1CCCN(C(=O)c2ccccc2F)CC1)c1ccc(N(C)C)cc1	773629696	SCUJMAYMNKPAQD-KRWDZBQOSA-N	412.509	3.510	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	775258829	KHJGNHSLAIJXFS-HNNXBMFYSA-N	407.436	3.831	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1	775488085	GRFHABNFLVGHSL-SIKLNZKXSA-N	411.565	3.787	10	20	HHCD	
O=C(O)c1ccoc1CSc1ccccc1C(=O)N1CCS[C@H]2COCC[C@@H]21	776687788	YFENEFZDSBVHPF-YJBOKZPZSA-N	419.524	3.617	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(O)c(O)c2)nnn1-c1ccc(-c2ccccc2)cc1	778915122	QPOORWWWNIVVDN-UHFFFAOYSA-N	400.438	3.584	10	20	HHCD	
Cc1csc(Sc2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2[N+](=O)[O-])n1	778925162	IFCOQOLJJXFOMX-UHFFFAOYSA-N	417.468	3.852	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1F	782093675	UNGVUFGXUSKXLR-OKILXGFUSA-N	405.445	3.909	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(Cl)c1	782109669	DRYNEXSOHGPNAK-UHFFFAOYSA-N	413.905	3.758	10	20	HHCD	
O=C1CCc2cc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)ccc2N1	782895790	KBMIEUBFVGQEGD-UHFFFAOYSA-N	421.497	3.577	10	20	HHCD	
CC(C)Oc1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	786817724	GBQYFUCXOZYNSS-UHFFFAOYSA-N	422.481	3.618	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCCc2ccccc21	788484724	NULNPHAKYCHTGB-OAQYLSRUSA-N	407.558	3.726	10	20	HHCD	
Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(OC[C@@H]2CCCO2)c1	789837381	TZECCPVNCZOJJJ-RDJZCZTQSA-N	400.475	3.717	10	20	HHCD	
CCOC(=O)c1csc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	790502253	LMTROYMPCCSDNE-KSSFIOAISA-N	416.547	3.994	10	20	HHCD	
COc1c(NCc2ccc(N3CCOCC3)c(F)c2)cc(Cl)cc1C(=O)N(C)C	790653565	VNQZFRQETMPBPY-UHFFFAOYSA-N	421.900	3.638	10	20	HHCD	
COC(=O)[C@@H](C)N(Cc1cc(Br)cc(Br)c1O)C1CCC1	792187843	TXZLLCQJYIGHQK-SECBINFHSA-N	421.129	3.833	10	20	HHCD	
CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	797437683	OVGIXBAREZZWOB-GHTZIAJQSA-N	411.550	3.737	10	20	HHCD	
Cc1cc(-c2csc(C3CCOCC3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	804602997	JSKCEPYJIWACGB-UHFFFAOYSA-N	417.556	3.759	10	20	HHCD	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)NCCCSc2nccs2)C2CC2)o1	806279696	WXYJFUBERXJLSS-XJKSGUPXSA-N	419.572	3.649	10	20	HHCD	
CCOc1cc(C)ccc1CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	807859692	VSCRWZWSZDCQOR-UHFFFAOYSA-N	422.481	3.538	10	20	HHCD	
COCC[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccco1	807902234	ULJGVJJWNYJXOV-IBGZPJMESA-N	414.502	3.541	10	20	HHCD	
Cc1ccccc1-n1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1	808391310	JKCRQJVVFPQHDY-KRWDZBQOSA-N	413.472	3.936	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCCn1c(C)cc(=O)cc1C	810456838	YMFRIIHAQYGWPA-UHFFFAOYSA-N	421.335	3.762	10	20	HHCD	
COc1cc(O)c(CN2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1OC	811517506	UPODRYABWLQUOF-KRWDZBQOSA-N	420.550	3.878	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@@H]3[C@H]3CCCO3)cc2F)C[C@@H](C)O1	811865216	WBKDCEQXSDFNJX-NBJYBMASSA-N	419.541	3.538	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(CCCc2cccs2)n1C[C@@H]1CCOC1	812391218	UMPJQHNXKLHZLL-KRWDZBQOSA-N	412.559	3.893	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCCO1	812443788	XVRBYAPTSDXYTC-OAQYLSRUSA-N	422.529	3.811	10	20	HHCD	
COCCOCc1ccc(CNCc2cc(Br)cc(OC)c2O)cc1	812773084	PYQXCNQGAOALRT-UHFFFAOYSA-N	410.308	3.616	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1Br	915300528	GAINXFUETPUFBE-UHFFFAOYSA-N	404.308	3.950	10	20	HHCD	
C[C@@H]1CCCN(CCCCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	916504110	QEBYOCBYTQDHEW-TZIWHRDSSA-N	403.567	3.595	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3	917697591	AOMAACQHHHEWBD-UHFFFAOYSA-N	402.498	3.975	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)sc2C)cc1	917846615	XJALIMYQGVUBDZ-UHFFFAOYSA-N	416.480	3.598	10	20	HHCD	
COc1cc(OC)c(OC)cc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	918059249	NRFPIRCWKBSSQD-UHFFFAOYSA-N	413.518	3.653	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NC3CC(C)(C)NC(C)(C)C3)cc2F)C[C@@H](C)O1	918147963	OAMWZBGHWYRTRM-HZPDHXFCSA-N	420.573	3.548	10	20	HHCD	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(Oc2ccccc2)cc1	919840890	SDJRXQGWKWEEGA-UHFFFAOYSA-N	422.506	3.966	10	20	HHCD	
C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(N2CCOCC2)cc1	920890109	JPJNQNARMRSYFL-GOSISDBHSA-N	406.526	3.852	10	20	HHCD	
COc1cc(Br)cc(CN[C@H](c2ccccc2)c2cnn(C)c2)c1O	1325301178	WLUYJHWNVOHYBC-GOSISDBHSA-N	402.292	3.776	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nnc(CNC(=O)OC(C)(C)C)o3)ccc21	1346024089	OOCLDAPSDGWAOD-UHFFFAOYSA-N	400.479	3.979	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Oc2cccnc2)cc1	63294828	RBHQXZIGIIIXGX-UHFFFAOYSA-N	407.445	3.780	10	20	HHCD	
Cc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1N1C(=O)CCC1=O	303554769	WCIWGIOCGJDHPD-UHFFFAOYSA-N	402.454	3.703	10	20	HHCD	
Cc1cc(CSc2ncccc2C(=O)N2CCOc3cc(N(C)C)ccc32)no1	475938312	JVMDVHTXNIXUIV-UHFFFAOYSA-N	410.499	3.776	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3cccnc3N3CCCC3)no2)cc1)C1=S=CC=C1	546345173	POVLCVWBSIPRQQ-UHFFFAOYSA-N	417.494	3.615	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)Cc2cc(-c3ccccc3)no2)cc1	725825426	BRUZBDSEFZZCCT-UHFFFAOYSA-N	411.527	3.902	10	20	HHCD	
CCOc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c(O)c1	725842071	ZTGBQLYCFQZUPM-INIZCTEOSA-N	406.548	3.672	10	20	HHCD	
O=C(NCc1nc(Cc2ccccc2)no1)N(Cc1ccco1)Cc1ccccc1O	726245814	QYVRCWUMFKIBCG-UHFFFAOYSA-N	418.453	3.871	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCOc3ccc(Cl)cc3)CC2)cc1	726608777	BZDNNJLUFXDFLE-UHFFFAOYSA-N	403.910	3.696	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1	727170550	SNCCCJGBHVBTBJ-INIZCTEOSA-N	416.905	3.846	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(NC(=O)COC)cc3)ccc21	728463410	OYVOYQFEKLIKPY-UHFFFAOYSA-N	409.486	3.742	10	20	HHCD	
CCOc1cccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1	728834462	XDKWZIPRDGGLFE-UHFFFAOYSA-N	403.482	3.830	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCOc2ccc(C(C)=O)cc2OC)c1	728978329	PEMMHWLSMODOOU-AWEZNQCLSA-N	401.459	3.648	10	20	HHCD	
CSc1n[nH]c(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1	729351531	CQISAQAJRAAWSP-UHFFFAOYSA-N	406.309	3.949	10	20	HHCD	
COCCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1	732473061	QNPRREPXHXVLIJ-SFHVURJKSA-N	411.608	3.623	10	20	HHCD	
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCCCSc3nccs3)C2)c1	733880314	GVPGMWHLICMCEV-MRXNPFEDSA-N	418.588	3.994	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C	734406517	TUMGBCABIJNQRL-UHFFFAOYSA-N	407.518	3.667	10	20	HHCD	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cc21	734740162	LENPDHZLUYDRRR-UHFFFAOYSA-N	405.526	3.581	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1	735821804	AWCDISANDXXFPT-SFHVURJKSA-N	405.458	3.724	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1	741071303	RXLSHFZNGSOUJM-AWEZNQCLSA-N	421.519	3.825	10	20	HHCD	
O=C(CCCOc1cccnc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	742619029	OOESTSDMIIKDML-UHFFFAOYSA-N	405.445	3.627	10	20	HHCD	
Cc1cc(C)cc(C[C@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	743670592	SFYIXYKXNLSZTO-FQEVSTJZSA-N	409.574	3.943	10	20	HHCD	
C[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1cccc(Cl)c1	743674336	VGVWGEDVRCMSAN-QGZVFWFLSA-N	417.937	3.786	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](C)CCc2ccc(Br)cc2)c1O	745737452	OQPVKYIIBZDMTO-ZDUSSCGKSA-N	407.308	3.984	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Oc1ccc(F)cc1	745891888	HWAHEYPOHYFPCK-JXFKEZNVSA-N	402.466	3.689	10	20	HHCD	
COc1cccc(F)c1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1	746217584	JINYIPVSRKFMFL-UHFFFAOYSA-N	407.445	3.579	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1	747155231	ZKZGNXFKCHZLGM-UHFFFAOYSA-N	423.966	3.828	10	20	HHCD	
Cc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1F	748014124	HFSWUMYTHYHSPD-UHFFFAOYSA-N	420.487	3.632	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@H](S(C)(=O)=O)C3)c2C)c1	749398820	FNHGSLNVYCLUMB-ICSRJNTNSA-N	402.560	3.797	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	751308226	SXWFNYQKIRAURO-HNNXBMFYSA-N	415.428	3.527	10	20	HHCD	
CC(C)OCCCC(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	751740360	OVRAFZHRRXSJKV-HNNXBMFYSA-N	423.465	3.537	10	20	HHCD	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	751783754	VSFORGVFXXIOLS-UWJYYQICSA-N	411.521	3.874	10	20	HHCD	
COc1cc(CN[C@H](C)c2cc3c(cc2O)CCCC3)ccc1OCC(=O)N(C)C	756477096	XALMOTKMDWKAKD-MRXNPFEDSA-N	412.530	3.597	10	20	HHCD	
CS[C@H](CO)[C@@H](C)N[C@H](C)c1cc(Br)cc(Br)c1O	756594589	RGUSOICVZIWFRY-DNSOKLHBSA-N	413.175	3.680	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1	757550329	DAXSWXFLQFNMJZ-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@]12CCCO2	759407746	BENXZKNWULSXCR-MIZPHKNDSA-N	422.485	3.883	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCNc1ncc(Cl)cc1Cl	759555836	PICWEOCHGLWONR-UHFFFAOYSA-N	406.364	3.738	10	20	HHCD	
COCCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1	760017500	PMTAUHDGJRAIDF-IBGZPJMESA-N	416.587	3.948	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(Br)c(F)c1	762000236	KMLXTJKIQKVOGH-UHFFFAOYSA-N	404.257	3.882	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(N2CCCC2=O)cc1	765295649	GDZZODLVKAVOGT-IBGZPJMESA-N	407.558	3.873	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ncccc2C(F)(F)F)SC1=S	765509519	IMGZYCDJGTXQEI-JYRVWZFOSA-N	403.495	3.889	10	20	HHCD	
COc1ccc(-c2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)n[nH]2)cc1	767976543	RARSLEOPIZFRLX-LJQANCHMSA-N	407.470	3.612	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1	768203090	YUJARFREFCSFHY-QGZVFWFLSA-N	421.557	3.788	10	20	HHCD	
O=C(c1ccccc1F)N1CCCN(Cc2cc(Br)ccc2O)CC1	768252520	SKTZHGBLYDVQMG-UHFFFAOYSA-N	407.283	3.642	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(OC)cc1	775224814	YXAZLEFVRAYWTP-JOCHJYFZSA-N	409.530	3.520	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	775254505	JQBBSNUCMUEALX-CYFREDJKSA-N	406.526	3.767	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CNC(C)(C)c3ccc(C(C)(C)C)cc3)nc12	775376348	QFRMXBSREWCPCL-UHFFFAOYSA-N	410.518	3.934	10	20	HHCD	
CC[C@H](C)Oc1cc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccn1	776898897	BAMYESLGYXBTAF-ZWKOTPCHSA-N	412.534	3.656	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cn4c(n3)CCCC4)n2)c(F)cc1F	779803768	UGRYXRXIHMXKFW-UHFFFAOYSA-N	410.471	3.730	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)cc1	783708952	UVHPCJMERBZMTQ-UHFFFAOYSA-N	424.545	3.601	10	20	HHCD	
COc1cc(Br)cc(CNC[C@H](O)c2cc(F)cc(Cl)c2)c1O	785610266	QPHZNLVWRAAQIL-AWEZNQCLSA-N	404.663	3.779	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)cc2F)C[C@@H](C)O1	788545790	JOVQWPCXIZWFDV-BBWFWOEESA-N	421.557	3.784	10	20	HHCD	
CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788934054	ZZDWGJVMSRCPNJ-IBGZPJMESA-N	423.557	3.705	10	20	HHCD	
NC(=O)[C@@H](NCc1ccc(N2CCCCC2)cc1)c1cccc(Br)c1	793264545	AOGPJDMHRNKUFZ-IBGZPJMESA-N	402.336	3.756	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(I)c1	793569220	DZIOPRJJRSVWFL-UHFFFAOYSA-N	422.310	3.760	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](c1ccccc1)C1CCCC1	793630004	FQSOGIWTOYEIJC-HSZRJFAPSA-N	403.526	3.727	10	20	HHCD	
COC(=O)c1ccc(Cl)c(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1	795903771	URIDUYYHLNELEM-UHFFFAOYSA-N	406.885	3.517	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1	797751798	XZARZMYGKMWSAV-NSHDSACASA-N	406.269	3.951	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C3(C(=O)NC4CC4)CCC3)cc2Cl)C1	800570697	BUMCKSMFJGITSJ-OAHLLOKOSA-N	403.954	3.641	10	20	HHCD	
COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)[C@H]1C	800719647	MNYUXJJLOYTERG-HLLBOEOZSA-N	407.942	3.669	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c(Cl)n1	800925379	RZRXASQPWOXGIM-UHFFFAOYSA-N	423.903	3.739	10	20	HHCD	
Cc1nc2cccc(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)c2[nH]1	801876044	CPCUZTJEYUSLFF-UHFFFAOYSA-N	413.481	3.616	10	20	HHCD	
CC(=O)Nc1cccc(OCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	805069475	MLVZNGMUPGBXRY-UHFFFAOYSA-N	412.273	3.536	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCC2(Sc3ccccc3)CC2)C2CC2)cc1	805898920	YDNMGGRATOMOOX-UHFFFAOYSA-N	423.582	3.685	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(C(=O)NC)c1Br	806735677	CMZBCFVXEWTMOZ-UHFFFAOYSA-N	420.307	3.958	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC[C@H]1C	806926862	VPZPNVWKODUDAF-WSTZPKSXSA-N	411.546	3.815	10	20	HHCD	
Cc1cccc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1C	807286786	ABDQJRAJEWAPGQ-QHCPKHFHSA-N	403.526	3.660	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1Cl	811705889	ZVRHFJZTSGTMHB-UHFFFAOYSA-N	412.895	3.730	10	20	HHCD	
O=C(CCc1ccc2ccccc2n1)NCc1ccc(N2CCC(O)CC2)c(F)c1	813467477	HFUZCKQCHXPHKD-UHFFFAOYSA-N	407.489	3.584	10	20	HHCD	
Cc1cc(CCNC(=O)NCCc2cn3c(n2)CCCC3)c(C)n1-c1ccccc1	914540538	CFIATILJNNXESN-UHFFFAOYSA-N	405.546	3.711	10	20	HHCD	
CCOc1ccc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1	914702934	FAMJPVYQBCSFRS-UHFFFAOYSA-N	419.450	3.692	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c(C)n1-c1ccccn1	918375697	QDZMASVSTQGESB-UHFFFAOYSA-N	402.498	3.542	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)cc1F	919968952	SEOUVBSFZQUTOM-UHFFFAOYSA-N	421.310	3.727	10	20	HHCD	
CSc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	920881534	PAYNYUQKGMXLJY-AWEZNQCLSA-N	401.488	3.644	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCC(=O)c3ccc(F)cc3F)CC2)cc1	1116419725	QOHYZVNCBAMZAG-UHFFFAOYSA-N	402.441	3.675	10	20	HHCD	
Cc1cc(-c2nnc([C@@H](C)S(=O)(=O)C3CCOCC3)o2)c(C)n1-c1ccccc1	1118129493	YPFLDTWBHAXWJK-MRXNPFEDSA-N	415.515	3.799	10	20	HHCD	
CC(C)c1ccc(-n2nnnc2SCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	7245525	YCLYYDZLRQFPEM-UHFFFAOYSA-N	424.574	3.602	10	20	HHCD	
C[C@@H](NC(=O)Nc1nnc(-c2ccsc2)s1)c1ccc(N2CCOCC2)cc1	65466445	BDUORIZJUIBLDP-CYBMUJFWSA-N	415.544	3.986	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1F	236966987	WNBKAWWWWKOACO-UHFFFAOYSA-N	419.566	3.746	10	20	HHCD	
COc1ccc(O)c(CNCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)c1	237362411	IXUJXZICKRBBDH-UHFFFAOYSA-N	401.463	3.971	10	20	HHCD	
Cc1cccc(Br)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	327537161	WBXJKYNQNOBFGD-UHFFFAOYSA-N	407.283	3.663	10	20	HHCD	
CC(C)c1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1-c1ccccc1F	437011373	VRACKFNOELUQDR-UHFFFAOYSA-N	409.465	3.635	10	20	HHCD	
CN(CCCNC(=S)NCc1ccc(N2CCSCC2)cc1)c1ccccc1	726467937	NGJWSVFJAOYDNL-UHFFFAOYSA-N	414.644	3.730	10	20	HHCD	
Cc1cc(C(=O)N(C)CCn2cccn2)c(C)n1-c1ccc(Br)cc1	732147469	QGVBJKGXZCPRAU-UHFFFAOYSA-N	401.308	3.825	10	20	HHCD	
O=C(CCOc1ccc(F)cc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1	735827831	CWIQHVCMSPXWPY-UHFFFAOYSA-N	420.912	3.773	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Oc4cccnc4)cc3)c2)CC1	739774300	LUFODGADDVOPHH-UHFFFAOYSA-N	416.481	3.828	10	20	HHCD	
CN(c1ccc(CNC(=O)CCS(=O)(=O)C2CCCC2)cc1)C1CCCCC1	742416133	MSKCBBPCIHHEDI-UHFFFAOYSA-N	406.592	3.819	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	742475444	NXMINYBDMDPWTF-UHFFFAOYSA-N	405.458	3.701	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1	742582934	FDSGDDMLCUVLLI-CYBMUJFWSA-N	423.391	3.941	10	20	HHCD	
C[C@H](NC(=O)c1ccc(N=c2cc[nH]cc2)cc1)c1ccc(N2CCOCC2)cc1	746168725	OTOFROCRJUKRCS-SFHVURJKSA-N	402.498	3.575	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H](c3ncc[nH]3)C2)c(C)n1-c1ccc2c(c1)OCCO2	746453808	MGSCPJOXDLZWMH-SFHVURJKSA-N	420.513	3.651	10	20	HHCD	
Nc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)cc1	746478669	MISGKWGUWBKXRU-UHFFFAOYSA-N	423.332	3.757	10	20	HHCD	
Cc1ccc(CNC(=O)c2cccc(CNC(=O)NCc3ccccc3O)c2)cc1	748459758	JKDDJRQOFHVEEN-UHFFFAOYSA-N	403.482	3.630	10	20	HHCD	
C[C@H](Cc1ccncc1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	749579544	JGEBUIIFNAPJQC-WBVHZDCISA-N	404.461	3.582	10	20	HHCD	
C/C(=C\C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1	749920693	YNWQDJXKGSVOSY-BAILOTOSSA-N	411.933	3.761	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)[C@H](C)N4C)cc2)CC1	749986289	VSDPHSZMWHLXKV-KRWDZBQOSA-N	406.530	3.630	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)c1c(F)cccc1F	752995128	FBJMNNWIHWDDQI-CTNGQTDRSA-N	401.457	3.652	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](C)c3ccc(-n4cccn4)cc3)CC2)cc1F	753919541	VFLXMQOIYDUUKJ-QGZVFWFLSA-N	423.492	3.613	10	20	HHCD	
COc1cc(C[C@H](CO)CN[C@H](C)c2cc(Br)ccc2O)cc(OC)c1	756638015	QGNXGZFCGREDBX-HIFRSBDPSA-N	424.335	3.674	10	20	HHCD	
COCc1nc(COC(=O)c2cc(C)n(-c3ccccc3Br)c2C)no1	759492679	GLKCRRTZNOZIQT-UHFFFAOYSA-N	420.263	3.743	10	20	HHCD	
CC(C)[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCN(c2ncccn2)CC1	759719135	HNGZXEIQCYXPPU-MRXNPFEDSA-N	419.620	3.696	10	20	HHCD	
C[C@@H](OCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1	760948109	DIRNEIXELOMTGA-OAHLLOKOSA-N	402.878	3.978	10	20	HHCD	
C[C@@H](Cc1cccs1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765280417	KOYMDNIZOCVFIE-KRWDZBQOSA-N	411.550	3.725	10	20	HHCD	
C[C@H](NCc1ccccc1OCCN(C)C)c1ccc(N2CCOCC2)cc1Cl	765476453	UTQOMELKSKCJSN-SFHVURJKSA-N	417.981	3.968	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1	766011968	QWKBDNYJNDIBOO-SJLPKXTDSA-N	407.530	3.712	10	20	HHCD	
COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1[N+](=O)[O-]	766605686	ORUNVVRMRZBQLY-UHFFFAOYSA-N	411.380	3.874	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(CN3CCOCC3)n2)c(C)n1-c1ccc(F)cc1	767896789	YLQUZRZHUMOSQO-UHFFFAOYSA-N	408.477	3.713	10	20	HHCD	
O=C(Cc1ccccc1OC(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768917365	XVYHDFATDCKZFV-KRWDZBQOSA-N	424.875	3.970	10	20	HHCD	
O=C(NC[C@@H]1CCCCN1Cc1cccc(Br)c1O)c1ccccc1	769245442	SCMVEAUKSHORAU-KRWDZBQOSA-N	403.320	3.939	10	20	HHCD	
CCC[C@]1(CO)CCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	770703193	ZZIXKXWZHLXIMM-HRAATJIYSA-N	411.493	3.593	10	20	HHCD	
Cn1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(-c2ccccc2)n1	771518922	AWVYTIJPHVJVHJ-FOWTUZBSSA-N	415.540	3.933	10	20	HHCD	
COC(=O)C(C)(C)[C@@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	771633429	URIDWMJXXASKGL-QGZVFWFLSA-N	411.498	3.740	10	20	HHCD	
Cc1cc(C)nc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	772952846	HAOSVQFMUGBVPE-UHFFFAOYSA-N	406.486	3.525	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)Cn1c(=O)oc2cc(Br)c(F)cc21	773280872	AHOJZWBMDCZHTP-UHFFFAOYSA-N	408.271	3.652	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(OCC(F)(F)F)c1	773847926	PWKVPTHJCOIWIM-AWEZNQCLSA-N	423.435	3.818	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccccc1N1CCCCCC1)c1ccc(N(C)C)cc1	773848573	SOYHXRYAMNSOQE-SFHVURJKSA-N	408.546	3.949	10	20	HHCD	
COc1ccc(-c2ccncc2)cc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O	773909286	PJXOXWPPJVJHSC-SFQUDFHCSA-N	414.508	3.823	10	20	HHCD	
Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c(O)c1O	775170622	CIMNFFLWDQETRC-OAHLLOKOSA-N	410.239	3.522	10	20	HHCD	
CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1	779533723	ADSSUXYECYDLMW-ZSJLDPMESA-N	402.491	3.548	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cccc(C(F)F)c3)n2)c[nH]1	780704453	XPVDRIWVPMUOJE-UHFFFAOYSA-N	413.427	3.663	10	20	HHCD	
CCOc1cccc2[nH]cc(CC(=O)NC3CCN(c4ccc(OC)cc4)CC3)c12	782418904	XZQGLWWMPSBXQO-UHFFFAOYSA-N	407.514	3.903	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1Cl	783327341	MJTWEGACPXEYPO-UHFFFAOYSA-N	403.910	3.790	10	20	HHCD	
CC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1	783483146	OANJGAJHXJMGET-MRXNPFEDSA-N	416.481	3.960	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)Nc2ccccc2SC(F)F)cc1	784566279	OCHWFVMCABUPHL-UHFFFAOYSA-N	410.442	3.628	10	20	HHCD	
CCOc1ccc(C(C)(C)C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1OCC	784661032	YVOOOHJGPCNDHK-UHFFFAOYSA-N	402.443	3.599	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1c(OC)ccc2ccccc12	787019457	PSURPKIBZOCPKJ-UHFFFAOYSA-N	420.509	3.999	10	20	HHCD	
COc1ccc(Cl)cc1NC(=S)NCc1ccc(N2CCOCC2)c(F)c1	792679588	KUEMJQJIJSSCEC-UHFFFAOYSA-N	409.914	3.811	10	20	HHCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](c2cccc(C(F)(F)F)c2)O1	793704523	RGWXISFADGAFAL-CCMJGWDWSA-N	409.404	3.799	10	20	HHCD	
CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)s1	797140895	OJFCBGGXQWZLCX-HZSPNIEDSA-N	402.564	3.999	10	20	HHCD	
CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799888026	IMSCUHKSOXRIEO-HZPDHXFCSA-N	408.974	3.680	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CO4)cc2Cl)C1	800047807	QDBGPILPJSMZAU-AWEZNQCLSA-N	413.905	3.837	10	20	HHCD	
COc1cccc(C[C@@H](O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1	800571192	GRKKXJVWHUEKQV-KSFYIVLOSA-N	416.949	3.805	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnc(OCc2ccccc2)c1	800629191	ONNHCEZLBZLBDL-UHFFFAOYSA-N	419.481	3.744	10	20	HHCD	
Cc1cnc(COCC(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)o1	803896850	IRCJBQJQXPLYNR-UHFFFAOYSA-N	414.433	3.781	10	20	HHCD	
CC[C@@H](C)N[C@@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccco1	806683334	GGUKKQIZYWOLCY-UTKZUKDTSA-N	414.550	3.686	10	20	HHCD	
CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccccc3O)sc2C1	806855252	DVBUSXSAMVIIGW-OAHLLOKOSA-N	415.559	3.987	10	20	HHCD	
CCOC(=O)c1cnc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(Cl)c1	807837427	PQGIIXAXVWHGTC-UHFFFAOYSA-N	403.649	3.854	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1cn(C)nn1	808275588	YZODFBTZUPAKCP-MRXNPFEDSA-N	403.408	3.740	10	20	HHCD	
COC[C@]1(CNCc2cc(Cl)cc(OC)c2O)CCCN1C(=O)OC(C)(C)C	809716153	QURIVSONPFUQGR-HXUWFJFHSA-N	414.930	3.560	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(N(C)C)c4ccccc4n3)CC2)cc1	810318058	NQZIMPYRFFZKCM-UHFFFAOYSA-N	404.514	3.708	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCCc2c[nH]c3cccc(Br)c23)c1O	811512748	RQRQSUYENDIHRM-UHFFFAOYSA-N	420.263	3.885	10	20	HHCD	
Cc1cc(C)c(NC(=S)NNc2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1	812261336	LABTVCFCBZYMBK-UHFFFAOYSA-N	412.968	3.521	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCOC1	812389200	DWXCRFJGLQSPIA-KRWDZBQOSA-N	417.513	3.729	10	20	HHCD	
Cc1cnc(Br)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	813006414	IGCGABPFSVSYEM-UHFFFAOYSA-N	419.323	3.653	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](O)c1ccc(Cl)cc1	813464941	IZGFUQSQYMZLQZ-MAUKXSAKSA-N	410.848	3.760	10	20	HHCD	
CCc1ccc([C@H]2CCN(Cc3cc(C(C)=O)cc(CN4CCOCC4)c3O)C2)cc1	814224495	HELRQTDTERFMIT-QFIPXVFZSA-N	422.569	3.979	10	20	HHCD	
CCCCOc1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc1	814285869	QOMLGXXHTSWPLJ-KNTRCKAVSA-N	420.600	3.789	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)NCC3CC3)cc2)cc1F	864043324	IXAKUOMMTRRTPY-UHFFFAOYSA-N	405.539	3.972	10	20	HHCD	
CCn1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1	915201577	PPXCLIOCQIJPMU-ZROIWOOFSA-N	406.558	3.585	10	20	HHCD	
CCOc1ccc(OCC)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	915318034	ISTUOVXYSZUONP-UHFFFAOYSA-N	413.518	3.985	10	20	HHCD	
CCOC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	915725100	LWDBQIRGURIKSD-UHFFFAOYSA-N	423.473	3.778	10	20	HHCD	
C[C@H](COc1ccccc1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	918090645	QBYKRGYOEVAZLS-KZNAEPCWSA-N	415.509	3.706	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)cc1	918429543	KNGAPDIRXNIIBO-UHFFFAOYSA-N	409.408	3.686	10	20	HHCD	
CC1CCN([C@@H](CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(C)C)CC1	920921230	AOGUFRRQDIJHDK-OFNKIYASSA-N	416.610	3.640	10	20	HHCD	
COc1ccc(Br)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21	1254466312	SBZFKYHHOXQXGJ-UHFFFAOYSA-N	406.280	3.955	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4Cl)c3)CC2)cc1	1319732355	HQBXRZFNCUOVGP-UHFFFAOYSA-N	410.905	3.887	10	20	HHCD	
c1ccc(N2CCN(C[C@H]3CCCN(Cc4ccc(N5CCCC5)cc4)C3)CC2)nc1	1320493664	DOKGCPPZYKWVGE-XMMPIXPASA-N	419.617	3.716	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3c(CC)nc4ccc(Cl)cn34)CC2)cc1	1324091932	WRQMSDDBIUIKFD-UHFFFAOYSA-N	412.921	3.911	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2cccc(Cl)c2)C1	1844904013	WZQWSCOWODTYHQ-UHFFFAOYSA-N	421.280	3.535	10	20	HHCD	
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N(C)C)cc1	8171089	QPLLNWGIGMMFQA-FQEVSTJZSA-N	401.938	3.867	10	20	HHCD	
CN(CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccc(N2CCCCC2)cc1	10056310	VJDPYWXLNDNDRX-UHFFFAOYSA-N	420.557	3.874	10	20	HHCD	
Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1	21460744	QZBHYUPPKBZCIJ-CYBMUJFWSA-N	403.390	3.547	10	20	HHCD	
C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	65280444	NUJIUPDWTFJRKL-AWEZNQCLSA-N	414.449	3.990	10	20	HHCD	
Cc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)c(C)n1-c1ccc(Cl)cc1	108610620	CBQYFGYBQGGWNU-UHFFFAOYSA-N	415.965	3.932	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(n3ccnc3)CC2)c(C)n1-c1ccc2c(c1)OCCO2	303354972	IAHCZTUHIZWDJE-UHFFFAOYSA-N	420.513	3.582	10	20	HHCD	
C[C@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	303602107	NWOPCMLDHJUDCT-DEOSSOPVSA-N	411.521	3.926	10	20	HHCD	
CCOc1cccc(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1O	725844989	FLSIJPQRSSODLT-UHFFFAOYSA-N	400.788	3.796	10	20	HHCD	
COc1ccc([C@@H](NCC(=O)NCc2ccc(N(C)C)cc2)c2ccccc2)cc1	727242470	UDEXFWTYIQZQMF-VWLOTQADSA-N	403.526	3.757	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	727242665	DNSROMACIBOBNI-UHFFFAOYSA-N	424.448	3.817	10	20	HHCD	
COc1ccccc1[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1	730065905	BCWMRGSAPRMJPG-JOCHJYFZSA-N	409.530	3.969	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)cc1	730106563	KMNDXXROYMHPOM-UHFFFAOYSA-N	418.469	3.839	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1	731345912	LKWRYBFMCZWZDS-UCSSQIFYSA-N	407.555	3.546	10	20	HHCD	
O=C(CNCc1cc(Cl)cc([N+](=O)[O-])c1O)Nc1cc(Cl)ccc1Cl	732228977	ZOUBBFTYKBEJRH-UHFFFAOYSA-N	404.637	3.989	10	20	HHCD	
Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	734273737	ZYYLGHFQATZCED-OAQYLSRUSA-N	424.589	3.666	10	20	HHCD	
CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccc(N(C)C)c(F)c2)CC1	742373946	LWAXCWNFFRZTRI-UHFFFAOYSA-N	424.486	3.952	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)Oc1cccc(Br)c1	743698272	MYGFPONIEOTUNO-CQSZACIVSA-N	406.324	3.782	10	20	HHCD	
Cc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1Cl	746035550	SPCIBLAGXWSWRS-INIZCTEOSA-N	400.910	3.672	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1nc(-c2ccccc2)cs1	746803339	XCAYGUBWLAYRAZ-UHFFFAOYSA-N	407.495	3.649	10	20	HHCD	
COc1cc(C)cc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	752149455	MKRKRZZAQDEXMD-IAGOWNOFSA-N	415.509	3.756	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)cc1F	753839901	MDJLGLOTNJNVEB-UHFFFAOYSA-N	423.492	3.991	10	20	HHCD	
C[C@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc(Br)cc(F)c1O	756890274	BHTMWQHIJRCATO-JTQLQIEISA-N	422.254	3.865	10	20	HHCD	
CNC(=O)CCOc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2O)cc1	757593472	NCKQBPOTOICHBP-NSHDSACASA-N	411.271	3.982	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cncc(Br)c1	757897228	GSJIMAAWXDRUMA-UHFFFAOYSA-N	407.337	3.719	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)cc(OC)c1OC	759219569	DGUXZHUCPCZZGW-CEXWTWQISA-N	416.562	3.968	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC1CCC(O)(c2ccccc2)CC1	765539929	ZUBXMUJSZCMVDH-UHFFFAOYSA-N	419.319	3.784	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc2c(s1)CCCC2	765977331	FQFMFDZTKJYFRC-INIZCTEOSA-N	404.601	3.713	10	20	HHCD	
COc1cc(OC)c(OC)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1	766143377	ZNGFHQHCNXIVNW-UHFFFAOYSA-N	417.531	3.587	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(-n4ccnc4S)cc3)c2)CC1	767931195	OAJUTLZTJOXZRY-UHFFFAOYSA-N	421.570	3.944	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c(C)n1-c1ccccc1Br	768444137	DMHVVYOGXXWVHP-RKNYENMMSA-N	411.365	3.696	10	20	HHCD	
Cc1cc(Cc2nc(C(C)(C)NS(C)(=O)=O)no2)c(C)n1-c1ccc(Cl)cc1	770915174	CFBGZOATFJGBDS-UHFFFAOYSA-N	422.938	3.506	10	20	HHCD	
CN1CCN(c2ccc([C@H]3Nc4ccccc4C(=O)N3Cc3cccnc3)cc2)CC1	771517075	CGOLVHXZMHTNHB-DEOSSOPVSA-N	413.525	3.600	10	20	HHCD	
COc1cccc(CNC(=O)NCCc2cc(Cl)ccc2Br)c1O	772633023	YRVFCZXBCGCOFY-UHFFFAOYSA-N	413.699	3.859	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(N(C)C)cc1	773859012	SSUHEAAVIHAGME-OAHLLOKOSA-N	422.460	3.895	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1	774486203	XSJTYUFEHORIFR-VQTJNVASSA-N	408.590	3.573	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(OC)cc1	775223275	VCDBAZZGDLZCRE-OAQYLSRUSA-N	422.481	3.790	10	20	HHCD	
C[C@H](NCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(N2CCOCC2)cc1	775254519	KCDLASWQVNWWFO-ZDUSSCGKSA-N	418.419	3.841	10	20	HHCD	
CSc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C	775401745	RTJCCUBFOWYEKQ-QGZVFWFLSA-N	412.559	3.740	10	20	HHCD	
CC[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cc(Br)ccc1O	775513301	WDAOVYZCCGIZBS-QGZVFWFLSA-N	412.349	3.940	10	20	HHCD	
CC[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(Cl)c(Cl)c1O	775523268	HVQDLIYGABRAIR-MFKMUULPSA-N	424.371	3.636	10	20	HHCD	
CCCn1c(/C(Cl)=C\c2ccc(F)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21	777467776	LJQGYVWFGFFXEB-XNTDXEJSSA-N	422.913	3.968	10	20	HHCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	778456230	MLRUOCXGIVMCCY-PKOBYXMFSA-N	404.894	3.540	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1	784559473	QYCHVEIXBUHLLE-UHFFFAOYSA-N	410.470	3.617	10	20	HHCD	
CC(C)CN(CCc1ccccc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788908882	CLIBAGPBHFYKHG-UHFFFAOYSA-N	407.558	3.630	10	20	HHCD	
COc1cc(C(F)(F)F)ncc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	792508902	BKVVHKDDYVDLSV-ZDUSSCGKSA-N	424.423	3.828	10	20	HHCD	
Cc1c([C@H](C)NC(=O)C(=O)NCCCSc2nccs2)oc2ccccc12	793628202	SKMKCTRINTWXLY-ZDUSSCGKSA-N	403.529	3.674	10	20	HHCD	
COc1ccccc1-n1nccc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	797464775	GTSVKXQJIGLYJK-QZTJIDSGSA-N	424.520	3.923	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCn4ccnc4C3)cc2Cl)C1	799976951	XZISZGHPCUHDCV-WBVHZDCISA-N	401.942	3.587	10	20	HHCD	
COC(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1	800048612	GPVLUHNDTWPTCP-CQSZACIVSA-N	401.894	3.688	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3sccc3-n3cnnn3)cc2Cl)C1	800049983	LFQQKJXBLYZHBR-ZDUSSCGKSA-N	416.938	3.544	10	20	HHCD	
COCCNC(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	806630142	HYZHKWYWCXZKFY-UHFFFAOYSA-N	412.534	3.571	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C1c2ccccc2-c2ccccc21	807098695	XWJWNEAPCURWBS-UHFFFAOYSA-N	413.521	3.906	10	20	HHCD	
COc1ccc(-n2c(SCC(=O)C(C)=O)nnc2-c2ccccc2Cl)cc1	808010631	GODZJPQJHPQZRD-UHFFFAOYSA-N	401.875	3.847	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(-c2cccc(Br)c2)c1	808095035	PHDUMASVMOWECS-UHFFFAOYSA-N	421.291	3.756	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1	810198662	CLWDLVLWUDZHHI-UHFFFAOYSA-N	407.514	3.648	10	20	HHCD	
Cc1cc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)nc(N2CCCC2)n1	813634382	KYFATTSYAUXKCJ-UHFFFAOYSA-N	422.577	3.621	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccc(O)nc2)c(C)n1-c1ccccc1Br	819786655	CZSVPOUJDXHDNJ-UHFFFAOYSA-N	414.303	3.930	10	20	HHCD	
CC(C)(C)NC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1	821684409	JWCZEZDALLBZBN-UHFFFAOYSA-N	412.515	3.908	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3C)n2)cc1	873971760	QUHFGHUVISTYJS-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
Cc1ccc(CN2C[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CC2=O)cc1	914505911	FDVRFTMGRSFAAP-JOCHJYFZSA-N	407.558	3.847	10	20	HHCD	
COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1OC	914904809	DLKAPSASBKOVCC-INIZCTEOSA-N	423.469	3.690	10	20	HHCD	
CC(C)N(CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccc(N(C)C)cc1	917075921	ARVVZXKTWWGFPZ-JOCHJYFZSA-N	408.590	3.606	10	20	HHCD	
COc1cc(C(=O)N2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)ccc1C	917474334	YUXYVOJPHLILOJ-UHFFFAOYSA-N	412.530	3.670	10	20	HHCD	
Cc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)N2CCOCC2)cc1	918356605	ICYBCEVCKZQVHQ-HSZRJFAPSA-N	418.541	3.601	10	20	HHCD	
C[C@@H]1Sc2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2NC1=O	920494548	OTQQYLOREBWHMI-WMLDXEAASA-N	412.511	3.646	10	20	HHCD	
CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920880441	JBDOCVVIKZCONA-OAHLLOKOSA-N	414.575	3.958	10	20	HHCD	
CC(C)NC(=O)c1ccc(Cl)c(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1	1120344604	NXLURATWTUDHKM-UHFFFAOYSA-N	418.944	3.981	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCO[C@H](c2ccc(Cl)s2)C1	1323381083	ZDZGMUZEUYPDOO-KRWDZBQOSA-N	421.950	3.521	10	20	HHCD	
O=C(CSc1nnc(-c2ccccc2Br)[nH]1)c1ccc(O)c(O)c1	7251987	BUZDAENMXMKZRH-UHFFFAOYSA-N	406.261	3.620	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(Cl)nc2ccccc12	7734162	KUMIQLVXGHGETM-UHFFFAOYSA-N	411.889	3.770	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1	11550396	ZUEHSRWSCLHAJV-UHFFFAOYSA-N	406.486	3.940	10	20	HHCD	
COc1ccc(Br)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1	108198528	WFNJHTAREDWHBJ-UHFFFAOYSA-N	421.360	3.941	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](C)c2ccc(F)cc2Cl)n(C)c2ccccc12	504272743	PRXUDRPEVLOZSL-CYBMUJFWSA-N	401.869	3.773	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	726237689	ZADYMKCVWKNDPC-QUCCMNQESA-N	419.447	3.897	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	726244249	BSCOWCKTELLXSY-GHTZIAJQSA-N	414.550	3.560	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3cccc(Br)c3)CC2)cc1	726562139	FMEUMZRQMNPPOC-UHFFFAOYSA-N	403.320	3.785	10	20	HHCD	
Cc1ccn2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)nc2c1	726564628	OQUFWCZJRHSHQL-UHFFFAOYSA-N	400.429	3.643	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	727732255	OFGCMIHCQKGYFL-ZWOKBUDYSA-N	419.566	3.640	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c(F)cc1F	732525336	INBIGBOJMMDIPO-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
COc1ccc2[nH]cc(CCNC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2c1	733649720	CSZAGIMBPDHZJN-FQEVSTJZSA-N	423.513	3.815	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(C)nc3ccc(Br)cc23)c1	734018102	HAZQYWHDTXRVTG-UHFFFAOYSA-N	401.260	3.950	10	20	HHCD	
COC(=O)COc1cccc(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1	734440152	PZAHYYDAPCAHCC-UHFFFAOYSA-N	422.481	3.585	10	20	HHCD	
C[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccs1	738785434	SCVANVBVELEOIO-ZDUSSCGKSA-N	419.458	3.809	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(Cl)c1	740848159	NTTOYZAAXNDORD-AEFFLSMTSA-N	408.951	3.833	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(OCC(N)=O)c2)c(C)n1-c1cccc(Cl)c1	742768346	COOIEJDCRMXNPG-UHFFFAOYSA-N	411.889	3.542	10	20	HHCD	
COc1cccc(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c1O	743331708	BQFHBCZIEKOELC-UHFFFAOYSA-N	403.788	3.586	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1O	745502735	CGQNHIZSAWZFJP-INIZCTEOSA-N	407.470	3.935	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccc(O)cc1)CC1CC1)c1ccc(N2CCOCC2)cc1	745779167	MZQSMAUUVDEKRP-SFHVURJKSA-N	409.530	3.912	10	20	HHCD	
CCCN(Cc1ccccc1F)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	746216645	UWWDNDFCVGURLZ-UHFFFAOYSA-N	403.473	3.923	10	20	HHCD	
CC(C)c1nnc(CCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1	746861492	IPCMHJXGXIMYRP-CQSZACIVSA-N	408.449	3.512	10	20	HHCD	
CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	748298683	XKGVTKUHMICLIR-OAQYLSRUSA-N	400.494	3.508	10	20	HHCD	
C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc2c(c1)CCCN2C	752656920	AHTTWBMUXLZATN-SJLPKXTDSA-N	416.566	3.514	10	20	HHCD	
CC(C)n1nnnc1-c1ccccc1NC(=O)NCc1ccc(N2CC=CC2)cc1	753041053	CVGOFCZUSUSPCX-UHFFFAOYSA-N	403.490	3.619	10	20	HHCD	
CCc1nc2ccc(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)cc2nc1CC	753739502	XKJGWZDMLSWYPI-UHFFFAOYSA-N	422.504	3.865	10	20	HHCD	
CSC[C@H](CCO)N[C@H](C)c1cc(Br)cc(Br)c1O	756601850	BOCPCWVUALVYOG-SCZZXKLOSA-N	413.175	3.682	10	20	HHCD	
CCn1ncc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1-c1ccccc1	756664472	CTMMMFOIRDPQKG-UHFFFAOYSA-N	404.514	3.931	10	20	HHCD	
Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)/C=C\c2ccc(O)c(O)c2)o1	759596103	MJGZSSDCNBFROK-NTMALXAHSA-N	419.393	3.868	10	20	HHCD	
CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cc(Br)cc(Br)c1O	760890668	YBDVANWTONMSLY-BIGNPOOSSA-N	423.145	3.762	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccn(C)n2)c(C)n1-c1cccc(Br)c1	760968143	YNJIXXNXBHZYKF-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
CC[C@H](CC(F)(F)F)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	761019603	MSMVWLRWZXHDHP-SNVBAGLBSA-N	422.450	3.715	10	20	HHCD	
COc1cc(Br)c(CN(C)c2ccc(OCCN(C)C)cc2)cc1O	761221499	OSQHGQZXIKMDJM-UHFFFAOYSA-N	409.324	3.740	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)C2CC2)cc1	764254238	KUEYERXFBHLULH-UHFFFAOYSA-N	423.561	3.664	10	20	HHCD	
C[C@H]1CN(CCCNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCCO1	764310289	JLSFQRUZCNODDP-FQEVSTJZSA-N	416.610	3.756	10	20	HHCD	
Cc1ccc(-n2nnc([C@@H](C)NCc3ccc(N4CCOCC4)c(F)c3)c2C)cc1	765119487	XIQOHOAANQYSMI-QGZVFWFLSA-N	409.509	3.711	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1	765265415	IUHHDAAOCRSYRC-QGZVFWFLSA-N	419.566	3.716	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H](c1ccccc1)[C@H]1CCCO1	765478479	DMTXTYUILHSUPF-IAGOWNOFSA-N	405.292	3.874	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(N2CCCCC2)c(F)c1	765932639	UJBYSWMWEYKVSA-IEBWSBKVSA-N	410.537	3.844	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1[S@](=O)CC	769292104	QVIMZYSHBSEMEA-XMMPIXPASA-N	410.333	3.945	10	20	HHCD	
CC(C)c1cccc(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	773513222	QWHSIJVVLOYRIW-NRFANRHFSA-N	408.546	3.511	10	20	HHCD	
C[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cc(Cl)c(Cl)cc1O	774170334	SDEVZYVHCDXRNH-GFCCVEGCSA-N	423.344	3.647	10	20	HHCD	
CC(C)(C)OC(=O)NCCCNCc1ccc(N2CCOCC2)cc1C(F)(F)F	774974791	DXNDRHMUYRSIGF-UHFFFAOYSA-N	417.472	3.546	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc(N(C)C)cc1	775583763	WOOHVZFRWWAGOP-MRXNPFEDSA-N	412.559	3.824	10	20	HHCD	
C[C@H](NC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(N(C)C)cc1	776243569	FDTGJWRMADFRNO-INIZCTEOSA-N	410.518	3.580	10	20	HHCD	
CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1	776749008	UKHLJORYJJCDLX-UHFFFAOYSA-N	405.701	3.675	10	20	HHCD	
CCCc1nc(C)c(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	777014460	OATZSBVWLNTSKA-UHFFFAOYSA-N	406.527	3.826	10	20	HHCD	
CCSc1cc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccn1	777710175	QJSHTTNOAJVQMR-UHFFFAOYSA-N	400.548	3.670	10	20	HHCD	
CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1	777822188	DIKFOJICPOQNSJ-KRWDZBQOSA-N	424.522	3.704	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc2ccc(Cl)cc2[nH]1	777829415	WQVQLUWWTUBXJB-UHFFFAOYSA-N	407.253	3.996	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1	779479968	RKVRELVGCCPOBK-KMDWOBIYSA-N	404.869	3.857	10	20	HHCD	
Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(-n2cc(Cl)cn2)n1	786818455	YMAIFWHHZLCYID-HNNXBMFYSA-N	412.925	3.856	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2c(F)cccc2Cl)cc1	788939571	LKNQZKKRTCDIJE-UHFFFAOYSA-N	405.901	3.600	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Cl	797613461	XRULLRWQSKUSMS-ZDUSSCGKSA-N	419.909	3.986	10	20	HHCD	
CSC[C@@H](C)C(=O)N1CCC(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1	799413588	UYWDLCGZIUBPBR-GOSISDBHSA-N	417.619	3.531	10	20	HHCD	
COCCCn1nccc1CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	802646090	BDTQZHZFUKHQSP-UHFFFAOYSA-N	414.550	3.897	10	20	HHCD	
CC(=O)NCCN(Cc1ccc(C)s1)Cc1cc(Br)cc(C)c1O	802652353	FAJVQKUKYSQXLZ-UHFFFAOYSA-N	411.365	3.971	10	20	HHCD	
Cc1cc(=O)c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cn1C1CC1	806425804	OXPSRVYOCGRIET-UHFFFAOYSA-N	405.498	3.993	10	20	HHCD	
N[C@](C(=O)NCc1cc(Cl)cc(Cl)c1O)(c1cccc(F)c1)C(F)(F)F	807840346	ZUQQUWQPRIXCPW-HNNXBMFYSA-N	411.182	3.871	10	20	HHCD	
COc1cc(N(C)Cc2c(C)nn(-c3ccccn3)c2Cl)cc(OC)c1OC	809636156	SDFHUTMFPUXNFF-UHFFFAOYSA-N	402.882	3.891	10	20	HHCD	
COc1cc(O)c(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1OC	809713553	IYINVBIBIGYIGG-HXUWFJFHSA-N	411.420	3.920	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc([N+](=O)[O-])c1Cl	809918694	ZWLYVPHBLDTDOC-UHFFFAOYSA-N	408.817	3.546	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2Cc2ccccc2)c1	844256970	FDTJTJFLAXLTMZ-XMMPIXPASA-N	408.542	3.634	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)C2CC2)cc1	914480493	PZXTXJIBEASGEX-UHFFFAOYSA-N	421.541	3.988	10	20	HHCD	
Cc1ccccc1CCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	915910216	WNWWICZPLBBLEO-UHFFFAOYSA-N	421.463	3.892	10	20	HHCD	
O=C(Nc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1)C1CC1	916673949	XMQXUHZNKINZJX-FQEVSTJZSA-N	409.486	3.954	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(OC2CCCC2)nc1)c1ccc(N2CCOCC2)cc1	920920849	NAAKAFNLGPVDEL-SFHVURJKSA-N	424.545	3.800	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3cccc(F)c3)C(C)(C)C)nc12	1319821244	VOHQVJQHTRKJNX-GOSISDBHSA-N	400.454	3.628	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O[C@H]2CCN(C3CCOCC3)C2=O)c1	1323461749	UNRHUAYGVPYBDK-FQEVSTJZSA-N	416.905	3.684	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(NCc2ccc(N3CCCC3)cc2)CC1	1338756180	NVZJAVSZELWZGE-UHFFFAOYSA-N	407.558	3.619	10	20	HHCD	
COC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1792656160	KMCOBLFURBJFGQ-QQFNCUIESA-N	423.557	3.771	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	27156789	QDBGWNOLUTYSQO-QFIPXVFZSA-N	405.542	3.684	10	20	HHCD	
C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	109184600	NGEFUHOYDFBSNW-OAHLLOKOSA-N	408.420	3.798	10	20	HHCD	
OC1CCN(c2ccc(CNc3nc4ccccc4nc3N3CCCC3)cc2F)CC1	301743514	ZGTDCQVOTBKPKM-UHFFFAOYSA-N	421.520	3.942	10	20	HHCD	
COc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc(OC)c1C(C)C	472779941	XPAXPWFWONDTLN-UHFFFAOYSA-N	423.513	3.882	10	20	HHCD	
CN(C)[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	726568015	YMRBEWSKNRMMOM-HXUWFJFHSA-N	403.473	3.676	10	20	HHCD	
C[C@H](NC(=O)[C@](C)(CC(=O)O)C1CCCCC1)c1ccc(N2CCOCC2)cc1	726604145	HFHMFXBDZOFAFM-GAJHUEQPSA-N	402.535	3.762	10	20	HHCD	
COCc1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726614251	SFRRANCANVXRKF-UHFFFAOYSA-N	419.472	3.903	10	20	HHCD	
C[C@H](NC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1	726709442	VLSMWGQSHDGKED-OFAXGOBFSA-N	409.530	3.804	10	20	HHCD	
Fc1cc(CNCc2cccc3cc[nH]c23)ccc1N1CCN(c2ncccn2)CC1	727469648	ZNKDLVNSZRHXGV-UHFFFAOYSA-N	416.504	3.713	10	20	HHCD	
CN(CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)C(=O)OC(C)(C)C	729614021	WLOXEMGMHUICQT-UHFFFAOYSA-N	403.479	3.564	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3OC(F)F)cc2)CC1	731131530	LZTNTCGUTLKQFH-UHFFFAOYSA-N	417.456	3.779	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@H]2CCOC2)c(C)n1-c1ccc(Br)cc1	731653456	WBTNZQFHHYNLJI-INIZCTEOSA-N	421.335	3.640	10	20	HHCD	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1c(O)ccc2c1CCCC2	743716975	DNURLPTXUBMNRZ-UHFFFAOYSA-N	407.297	3.624	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)CC(C)C)cc1	746170392	RFOHHQVKQLZMHP-UHFFFAOYSA-N	402.491	3.822	10	20	HHCD	
COc1ccc(N(CC(=O)N(C)Cc2cccc(OC)c2OC)CC(C)C)cc1	746170726	ACYSHQJWUKLJKU-UHFFFAOYSA-N	400.519	3.833	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(C(=O)NC2CCCC2)C1	746172850	PSVIONWHXWGFAR-FQEVSTJZSA-N	412.578	3.657	10	20	HHCD	
C[C@H](NC(=O)NCC[C@@H](C)N(C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1	746758888	ZJPXDAQZQBXVKX-RTWAWAEBSA-N	424.589	3.794	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1	746783588	NTZIIRFWJZNHJE-UHFFFAOYSA-N	414.556	3.925	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)c1O	750046263	VYOMDRQIGHVOGN-OAHLLOKOSA-N	401.894	3.802	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4cc(F)ccc34)cc2F)C[C@@H](C)O1	751093341	HEEFYTNDWMIJEL-GASCZTMLSA-N	413.468	3.919	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc4ccsc34)cc2)C1	752361123	RYEWJDCTWGOILZ-KRWDZBQOSA-N	408.527	3.925	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cc1F	752720862	QGPOTVQHHPESND-UHFFFAOYSA-N	404.461	3.835	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC1(CS(C)(=O)=O)CCC1	753648463	QFQFUCPQHHUJLG-UHFFFAOYSA-N	422.572	3.648	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)c3scnc3Br)ccc21	754137630	SCRNAGVRHXROHX-UHFFFAOYSA-N	413.252	3.933	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1	756571473	FHZCGJOKCBWDFV-GJZGRUSLSA-N	416.493	3.691	10	20	HHCD	
C[C@@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(Br)ccc1O	756674727	ASVSPUDRSCVCID-ZYHUDNBSSA-N	411.246	3.889	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)nc3)SC2=S)c1	758414260	BBIAGNKZISTIQW-YBEGLDIGSA-N	411.508	3.786	10	20	HHCD	
C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CC[C@H](C(F)(F)F)C1	761043112	UTPNCFMSXJMYDS-OLZOCXBDSA-N	416.399	3.673	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1COc2ccc(Cl)cc21)c1ccc(N2CCOCC2)cc1	762276631	WGBZKIVZBBEWHI-AUUYWEPGSA-N	401.894	3.671	10	20	HHCD	
C[C@H](N[C@@H](c1ccc(F)cc1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764813877	GJPSSQBLVFTZBS-AOMKIAJQSA-N	412.484	3.975	10	20	HHCD	
CC(C)(C)Oc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	768106314	PUOLKJUYTIUBIT-LJQANCHMSA-N	413.518	3.855	10	20	HHCD	
Cc1noc(C)c1CN1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	768817866	TWNIBWHTDALXOO-UHFFFAOYSA-N	413.522	3.508	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1O	769508185	QXPBAFOQMJSMEA-IBGZPJMESA-N	412.486	3.552	10	20	HHCD	
C[C@H](OCc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	769605386	OATLCXOOZWDYHN-OXJNMPFZSA-N	402.922	3.732	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc1F	770415837	GPABOMKASJRIPH-UHFFFAOYSA-N	421.542	3.682	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(COC(C)(C)C)on2)cc1	771289113	IVWPVGFDLVMQQY-LJQANCHMSA-N	415.534	3.877	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C2CCN(C(C)C)CC2)CC1	771676777	OSNAWYVBEPWACH-UHFFFAOYSA-N	414.619	3.786	10	20	HHCD	
CC(C)[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1	772113523	YYTJCKIOSKBWEU-QFBILLFUSA-N	411.493	3.760	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(OC(C)C)cc3)n2)c[nH]1	773365156	KGQRBGRXPDPBHQ-UHFFFAOYSA-N	421.500	3.513	10	20	HHCD	
Cc1cccc(CN2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)c1O	775663539	MRLANXYPPKEUFZ-UHFFFAOYSA-N	423.517	3.933	10	20	HHCD	
CC[C@H](C)n1nc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C	776042380	OXADVFUWIUODOF-HNNXBMFYSA-N	410.474	3.629	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)oc2C)nc1-c1ccccc1	776301709	BBLGSCYFMKNSSI-UHFFFAOYSA-N	406.485	3.997	10	20	HHCD	
CCn1cc([C@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1	777300471	DQXNXFMSFREMGL-OXJNMPFZSA-N	401.555	3.886	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3csc(Cc4cccc(F)c4)n3)CC2)cc1	779719431	VFYDLJPQJUPRLU-UHFFFAOYSA-N	411.502	3.844	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nn1[C@@H](C)C1CC1	784649097	FDYYTZOSOSSTPS-SFHVURJKSA-N	423.561	3.750	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1)c1ccc(N(C)C)cc1	787559705	RDFLNTUBEUFBGP-OAHLLOKOSA-N	422.460	3.895	10	20	HHCD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2ccc(N3CCSCC3)cc2)c1	788088997	GSUVRVIOOAFJKC-CTNGQTDRSA-N	412.555	3.677	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCc3ccccc3OC(F)F)CC2)cc1F	788113381	KHZUNTLVYQCYIY-UHFFFAOYSA-N	423.435	3.510	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(-c3cccnc3)ccc2C)c1	796791814	TWCDEMGKAJFVJR-OAHLLOKOSA-N	405.454	3.587	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCc4cnn(C)c4C3)cc2Cl)C1	800051106	LGTMNHMOTDZMPR-WBVHZDCISA-N	400.954	3.731	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1	801978313	HHYZERMSGYCSRC-SFHVURJKSA-N	412.534	3.524	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc(N(C)C)cc1	807678042	UMVCZXYQASCBBC-FXAWDEMLSA-N	418.541	3.817	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C)cc1OC(C)(C)C	807861785	IEIKJAVHUABTGD-UHFFFAOYSA-N	412.530	3.933	10	20	HHCD	
Cc1cc(C(=O)N(CCOCCO)C(C)C)c(C)n1-c1cccc(Br)c1	808048506	WFSWZAHGBBXOFA-UHFFFAOYSA-N	423.351	3.716	10	20	HHCD	
CC[C@]1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)OCCc2ccccc21	812492728	LNBVFTFNNSNRFK-PXDATVDWSA-N	424.541	3.961	10	20	HHCD	
CSC[C@@H]1CCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	813590087	HJIWCNHQPQHLSR-SOLBZPMBSA-N	409.571	3.724	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3c[nH]c4cccc(Cl)c34)CC2)cc1F	814317599	WFLPHODIIAAEMC-UHFFFAOYSA-N	401.869	3.860	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc(Cl)cn1)c2[N+](=O)[O-]	843107760	JYWYFEUENVMEPK-UHFFFAOYSA-N	407.769	3.671	10	20	HHCD	
CCOc1nc(C)ccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	857455921	IZKGHOZYRABCPQ-OAHLLOKOSA-N	405.445	3.789	10	20	HHCD	
COc1cc(Cl)cc(CNc2cccc(C(=O)N3CCC(CO)CC3)c2)c1O	864029113	ZIHKAIYXRISVRX-UHFFFAOYSA-N	404.894	3.511	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1OC	914577364	WYAYRXIQNJYWHV-UHFFFAOYSA-N	422.459	3.660	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H](c1ccccc1)N1CCCC1	915878169	LFTMYDHOGOKGBR-HSZRJFAPSA-N	424.614	3.876	10	20	HHCD	
O=C(NCCCN1CCc2ccccc2C1)N(Cc1ccccc1O)C[C@H]1CCCO1	916459296	TUMHMCUAJAYZLT-HSZRJFAPSA-N	423.557	3.531	10	20	HHCD	
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2cc(C)c(C)cc2O)CC1	917457489	UHBQLXWJMWEGDC-OAQYLSRUSA-N	402.922	3.694	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3c(C)nc(C(C)C)nc3SC)CC2)cc1	917822317	TUYSFMBJNJJJMS-UHFFFAOYSA-N	414.575	3.991	10	20	HHCD	
O=C(NCCSc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)c(F)c1	918192217	GWSLBMCSIMDQHA-UHFFFAOYSA-N	423.941	3.907	10	20	HHCD	
CN(CCOc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918218306	VCABNXPQXLSOKU-UHFFFAOYSA-N	421.900	3.536	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	919368144	VERAXQIFNSEYMM-CVEARBPZSA-N	400.441	3.623	10	20	HHCD	
C[C@@H](NCc1ccccc1N1CCN(C)CC1)c1ccc(Br)cc1O	1320119255	YVFDWWXRADUYJB-OAHLLOKOSA-N	404.352	3.757	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1	1320336317	DQYKPOCATIUGHV-UHFFFAOYSA-N	415.465	3.759	10	20	HHCD	
Cc1cc(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(C(C)C)cc1	1350881725	RROVVTUEIJLGDU-UHFFFAOYSA-N	424.545	3.668	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cocn2)C3)cc1	1800513817	WGNCQLZXPJWLCH-NUZGMZIFSA-N	418.497	3.648	10	20	HHCD	
C[C@H]1CCc2sc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2C1	7019924	YBPWZQUWTXTFON-HNNXBMFYSA-N	400.544	3.754	10	20	HHCD	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)c(O)c3)SC2=S)cc1	28975170	GOUJKXVUBSETHT-GZTJUZNOSA-N	415.492	3.983	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2cnn(Cc3cccs3)c2n1	39552176	JCQJLCRYANHTQK-UHFFFAOYSA-N	405.527	3.846	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F	109759500	BOSOPQRRIWXXHK-UHFFFAOYSA-N	421.398	3.763	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCOc2ccc(F)cc2)cc1	110076420	NBACRLPWDMVDGY-JOCHJYFZSA-N	400.494	3.868	10	20	HHCD	
C[C@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1	237549025	ACFAJMSRMRUYLM-OALUTQOASA-N	403.567	3.821	10	20	HHCD	
Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Cl	303007792	OBJSWSIVFCVOHT-HNNXBMFYSA-N	420.912	3.832	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCC[C@@H]1Cc1ccccc1	303871950	XSDQNLRLLLXRHE-IRLDBZIGSA-N	411.521	3.873	10	20	HHCD	
C[C@H](Oc1ccccc1Br)C(=O)N1CCOc2cc(N(C)C)ccc21	437018895	ANCZZLSDNIVAKB-ZDUSSCGKSA-N	405.292	3.708	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@H](c4cccc(F)c4)C3)ccc21	505549160	IZDISGAIKABOBK-QFIPXVFZSA-N	409.505	3.830	10	20	HHCD	
O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)NCC(=O)c1ccccc1	728089921	VRBQTALNYXPIKW-UHFFFAOYSA-N	417.421	3.964	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(CC(C)C)C3CC3)ccc21	728640706	YEQPQBDHWGPXIU-UHFFFAOYSA-N	400.519	3.708	10	20	HHCD	
COc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	729602686	PDRUCFKOIOZMFN-SFHVURJKSA-N	411.546	3.913	10	20	HHCD	
CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cc(C)n(-c3ccccn3)c1C)C(=O)N2	732114199	NFCAKGMSNPPJOU-GOSISDBHSA-N	402.498	3.907	10	20	HHCD	
CCn1c(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)nc2c(F)cccc21	732202752	AQCFVUJFRQSECH-UHFFFAOYSA-N	405.857	3.730	10	20	HHCD	
C[C@H](Oc1ccccc1Br)C(=O)NCCCSc1nccs1	733974980	SPCLOBXIMVBSHW-NSHDSACASA-N	401.351	3.972	10	20	HHCD	
COc1cc(N(C)CC(=O)N(Cc2ccccc2)C(C)(C)C)cc(OC)c1OC	741807670	YPUYMHBWYKRHKT-UHFFFAOYSA-N	400.519	3.976	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cccn(Cc2ccccc2)c1=O	742468388	DNONRQWABVCTFR-UHFFFAOYSA-N	401.510	3.817	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=NO[C@@H](c2ccccc2)C1	742797473	CSWDIFLXTZLSRW-OXJNMPFZSA-N	415.440	3.891	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)c1	743706359	ZMNWPQZLTFUUCI-VXGBXAGGSA-N	400.410	3.711	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1	745779707	QCSGGFBMSSXJSX-RBBKRZOGSA-N	422.573	3.861	10	20	HHCD	
O=C(Cc1cc(Cl)ccc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1	748342753	AEHSVWVFTOYBQR-UHFFFAOYSA-N	411.304	3.953	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc2c(s1)CCOC2	753087187	ZUVPSMLCUKLUPP-UHFFFAOYSA-N	416.543	3.823	10	20	HHCD	
COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1-c1ccccn1	755160559	PQKRTPQEYGEJSS-UHFFFAOYSA-N	417.509	3.866	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cn1	756099643	KLBBGVOWIMSQAQ-UHFFFAOYSA-N	416.497	3.694	10	20	HHCD	
CC(=O)Nc1ccc2c(CN(Cc3ccccc3O)C[C@H]3CCCO3)cc(=O)oc2c1	756336750	PMICPGIIMJOHOC-HXUWFJFHSA-N	422.481	3.638	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc2c(cc1O)CCCC2	756413337	CTEXRADYMIQISV-SFHVURJKSA-N	407.558	3.509	10	20	HHCD	
C[C@@H](NCCOC[C@H]1CCCO1)c1cc(Br)cc(Br)c1O	756582366	HWEDMDIJVORBQF-ZYHUDNBSSA-N	423.145	3.763	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	758962763	JKTPVMMMZDXDCE-LJQANCHMSA-N	411.546	3.552	10	20	HHCD	
C[C@@H]1CCN(C(=O)NCCCSc2nccs2)CCN1Cc1ccccc1	759589486	JDBLAYJILIZKAW-QGZVFWFLSA-N	404.605	3.931	10	20	HHCD	
COc1cc(Cl)cc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1O	761191850	CTWRAODQHUOFAF-UHFFFAOYSA-N	410.301	3.953	10	20	HHCD	
OC[C@H](CNCc1cc(Cl)cc(F)c1O)Cc1cccc(Br)c1	763445328	RSKPWXSZFDVZHZ-LBPRGKRZSA-N	402.691	3.888	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(OCc2nccn2C)cc1	765280872	FCKOKYKVAPRECR-IBGZPJMESA-N	406.530	3.687	10	20	HHCD	
COc1ccc(N2CCC(NC3CCN(c4ccc(N(C)C)cc4)CC3)CC2)cc1	765637752	HCUORYDZOCAPIN-UHFFFAOYSA-N	408.590	3.989	10	20	HHCD	
CS(=O)(=O)[C@H]1CCCCN(Cc2c(O)ccc3cc(Br)ccc23)C1	766672381	YXKUVRJUQLATBA-HNNXBMFYSA-N	412.349	3.707	10	20	HHCD	
Cc1cc(C(=O)NCCSCCCO)c(C)n1-c1ccc(Br)cc1	769226703	XSKIXCWBICIUOX-UHFFFAOYSA-N	411.365	3.702	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12	769638860	OPQJUQVHCGOLKS-UHFFFAOYSA-N	406.939	3.882	10	20	HHCD	
Cc1cc2c(cc1C)[C@H](C(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CO2	769866714	ZYIVXYNQRHGPCC-FUHIMQAGSA-N	412.505	3.849	10	20	HHCD	
Cc1ncc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	771998905	POTGBOLRWBZPOP-UHFFFAOYSA-N	410.490	3.564	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)c(OC)cc2C)cc1F	773240956	HYJIJDHVONXPAN-UHFFFAOYSA-N	401.482	3.552	10	20	HHCD	
CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NCc1ccccc1O	773492673	QMBMWCLXONXRIU-SFHVURJKSA-N	421.335	3.992	10	20	HHCD	
Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1	774363197	RMFZRTPPFNUSCF-UHFFFAOYSA-N	422.506	3.855	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN[C@@H]3CCCCC3(C)C)cc2F)C[C@@H](C)O1	775683474	SZJKMDUWCRWGAF-LLGFUMIMSA-N	405.558	3.614	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](C(=O)N(C)Cc2ccccc2O)CC1	778326702	PWOXKOQONLLGNN-IYARVYRRSA-N	410.514	3.521	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	780060515	CVJZFTWNXUKJMD-UHFFFAOYSA-N	421.878	3.635	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(OC4CCCC4)cc3)c2)CC1	781045444	KHHKELZDYKMLRO-UHFFFAOYSA-N	407.514	3.929	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1CCCN(C2CCC2)C1	781400132	DHAARGPQBGRQQR-CNNODRBYSA-N	415.578	3.736	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)cc1	782189570	RTECAAGCHSRTFT-YVLHZVERSA-N	415.492	3.653	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cc(Br)c(=O)n(C)c1	782791584	ZWAWHFHLZNVCPO-UHFFFAOYSA-N	421.339	3.656	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C(C)=C\c3cccc(Cl)c3)cc2)CC1	786257837	UROCSIAYAVERDO-VKAVYKQESA-N	411.933	3.728	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3ccsc3)cc2Cl)C1	787324114	GJHQTEFNVOQINF-CQSZACIVSA-N	405.951	3.570	10	20	HHCD	
COc1cc(O)c(CNCc2noc(-c3cccc(Br)c3)n2)cc1OC	790944738	DPINBALRQHGRJX-UHFFFAOYSA-N	420.263	3.512	10	20	HHCD	
Cc1cc2sc(NC(=O)NCc3ccc(N4CCOCC4)cc3)nc2cc1F	797673252	APZNKNXTLGJYKJ-UHFFFAOYSA-N	400.479	3.902	10	20	HHCD	
Cc1cn(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)nc1[N+](=O)[O-]	798219849	PWFWMWLLPHSLFF-UHFFFAOYSA-N	404.373	3.992	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(c2nccs2)CC1	798509556	SDQNNFUATLAONW-UHFFFAOYSA-N	401.580	3.798	10	20	HHCD	
COC(=O)c1cncc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1	800048645	HINFRNDVSFQGBC-CQSZACIVSA-N	401.894	3.688	10	20	HHCD	
Cc1noc(C2CCN(c3nnc(-c4cc(C)n(-c5ccccc5)c4C)n3C)CC2)n1	800762209	FJQVRDHAQXSBGD-UHFFFAOYSA-N	417.517	3.965	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C1CCN(C(=O)[C@H](C)CSC)CC1	801546759	XSGWXSMBQIARCE-QGZVFWFLSA-N	406.592	3.759	10	20	HHCD	
CCS[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	805019802	KHJDBXPLXXMIFY-TZIWHRDSSA-N	417.619	3.720	10	20	HHCD	
COc1cc(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1C	806467673	IFHSXEMZTZAIQZ-UHFFFAOYSA-N	424.541	3.729	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccc(Cl)cc1)C1CC1	807290079	PAALIMHTIWYGPT-UHFFFAOYSA-N	409.917	3.524	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCCn2cc(Br)cn2)cc1	807611010	RGNAHYNUAAJCMD-UHFFFAOYSA-N	422.371	3.724	10	20	HHCD	
COc1cc(N2CCN(Cc3ccnc(Cl)c3Cl)CC2)cc(OC)c1OC	811491014	XQPPEEXBAVRXHY-UHFFFAOYSA-N	412.317	3.736	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2sccc2Br)ccc1O	811703824	HYJRFKQVWOBRML-UHFFFAOYSA-N	406.323	3.942	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CCO)C(F)(F)F)c(C)n1-c1cccc(Br)c1	820313440	AWSNVUQLAZFDLV-OAHLLOKOSA-N	419.241	3.900	10	20	HHCD	
CCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1	1324211191	XCAUSNRVEWUMPF-UHFFFAOYSA-N	415.540	3.809	10	20	HHCD	
CSc1cccc(N2C[C@@H](C(=O)Nc3c(Cl)ccc4nonc34)CC2=O)c1	1325346364	UJJMGFHTFFSZKJ-JTQLQIEISA-N	402.863	3.590	10	20	HHCD	
Cn1c(C(=O)NCc2ccc(N3CCCCC3)cc2)cc(Br)c1C=O	1332907180	JTWMDLBUDNVZAE-UHFFFAOYSA-N	404.308	3.520	10	20	HHCD	
C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)CC=CCC1	1791990491	IGPZVMIURMOHDO-HSZRJFAPSA-N	421.497	3.987	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1	4541640	DDCOBTOACBECPQ-UHFFFAOYSA-N	419.481	3.591	10	20	HHCD	
CCOc1cccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1OC(F)F	13264753	GXJAFAQQOZGTOS-XFXZXTDPSA-N	417.455	3.753	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cn1c(=S)oc2ccc([N+](=O)[O-])cc21	16878901	ZWQSZPYNNJHYNU-UHFFFAOYSA-N	414.487	3.798	10	20	HHCD	
O=C(COC(=O)c1ccc(F)c(F)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	22430083	YEVGVZGGBKCVSI-UHFFFAOYSA-N	421.355	3.536	10	20	HHCD	
CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cccc2nsnc12	62930487	OIDBAFYGFFFYDB-UHFFFAOYSA-N	413.908	3.561	10	20	HHCD	
CCc1nc(CN(C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1	138866261	SLRVZQGBPWPMFK-UHFFFAOYSA-N	419.506	3.551	10	20	HHCD	
Cc1onc(-c2cccnc2)c1C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21	513298202	FVGPDIJIZDWSLG-OAHLLOKOSA-N	424.888	3.921	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1)C1=S=CC=C1	522826409	CQAXNMFAFYAKOS-UHFFFAOYSA-N	422.897	3.994	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)n(C)c2ccccc12	575237480	YHJKWVGCDMWHNY-AWEZNQCLSA-N	415.440	3.582	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cc4c(cc3OC)C[C@H](C)O4)SC2=S)cn1	726196937	HIHXRHAWSGRZET-CPWFCVNUSA-N	401.513	3.641	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1F	728518839	SDOVONCJOVRXBG-UHFFFAOYSA-N	407.445	3.504	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1	728981260	WLAXJYDNURKYLT-NVXWUHKLSA-N	404.466	3.784	10	20	HHCD	
COc1ncnc(OC)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C	729868447	GHJMMQKQOVNQMP-UHFFFAOYSA-N	423.469	3.558	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)o1	730933115	WDPXRJKWRNROQA-UHFFFAOYSA-N	404.425	3.737	10	20	HHCD	
C[C@H](NC(C)(C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1	733657743	NBBGQQULPYROAN-FQEVSTJZSA-N	424.589	3.794	10	20	HHCD	
O=C(CN1CCN([C@@H]2CCC[C@@H]2O)CC1)Nc1ccc(N=Nc2ccccc2)cc1	734485950	FUWWJHDRTHQXCU-YADHBBJMSA-N	407.518	3.572	10	20	HHCD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1	735682508	VSIUSHVLOQEJOO-UYAOXDASSA-N	405.608	3.880	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1F	740906965	KHEPMPNOKVRTNY-LJQANCHMSA-N	407.436	3.891	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743612965	ZQAPSIFJRNONMA-DOMZBBRYSA-N	408.449	3.922	10	20	HHCD	
Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743623746	DQFACBPLJKOBNZ-BBRMVZONSA-N	422.476	3.792	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Oc3ccc(O[C@H](C)C(N)=O)cc3)c2C)cc1	744213024	OUICMXGOSWBCIR-MRXNPFEDSA-N	408.454	3.575	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1C(C)=O)Cc1cc(Br)ccc1O	744426696	URMJHYXPCSLEFQ-UHFFFAOYSA-N	405.292	3.818	10	20	HHCD	
CC(C)CC(=O)N1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	745789638	NLSZPGFNRRESFK-UHFFFAOYSA-N	402.583	3.710	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CCN4C)cc2)CC1	746237061	FHKMPDFKHNRYGN-UHFFFAOYSA-N	406.530	3.631	10	20	HHCD	
COCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)c(OC)c1	746474524	HMNBQKKWTAYFOI-UHFFFAOYSA-N	408.539	3.804	10	20	HHCD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2ccc3c(c2)CCCN3C)cc1	746813049	NGGAJSMSMSMKAE-QGZVFWFLSA-N	411.571	3.754	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@@H](c3ccccc3)c3ccc(F)cc3)cc2)CC1	749133223	WPQOXHRSOJQBFM-DEOSSOPVSA-N	424.541	3.940	10	20	HHCD	
COc1cccc(CNS(=O)(=O)c2ccc(OC(C)C)c3ccccc23)c1O	751309071	GPKKEDVRPGENBG-UHFFFAOYSA-N	401.484	3.820	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)c1c[nH]c2ncccc12	751931262	MTJYASZEUGTDON-LBPRGKRZSA-N	406.467	3.621	10	20	HHCD	
COC(=O)c1cccc(CC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	758283466	GJGNZOVANPQOEY-UHFFFAOYSA-N	406.482	3.904	10	20	HHCD	
CCC(CC)[C@H](C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	761382479	WWVHEWZLPCQUKE-KRWDZBQOSA-N	413.541	3.631	10	20	HHCD	
CCc1csc(-n2cc(C(=O)NCc3ccc(N(CC)CC)c(F)c3)cn2)n1	762743592	FQTISXNGIHSKHI-UHFFFAOYSA-N	401.511	3.807	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@H]1SCCc2ccccc21	764791587	NUEMKEMMTNLIRO-MRXNPFEDSA-N	407.333	3.985	10	20	HHCD	
O=S(=O)(Cc1cc(Cl)ccc1F)NCc1cccc(Br)c1O	766208210	WHIINTYQKKTBKS-UHFFFAOYSA-N	408.676	3.567	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)cc(Br)c3)CC2)cc1F	766411428	CGOCZPFGTSDOAQ-UHFFFAOYSA-N	407.283	3.868	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3cccc4cccnc34)cc2F)C[C@@H](C)O1	768516581	VUBRKZCEZYVKGZ-IAGOWNOFSA-N	423.488	3.683	10	20	HHCD	
CCN(CC)c1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1F	769471484	ULIOSTLXAIXCQJ-UHFFFAOYSA-N	414.481	3.538	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c1	769965989	KUMJUPLRAMAKSW-UHFFFAOYSA-N	424.469	3.627	10	20	HHCD	
Cc1cc2c(N3CCC[C@@H]3C(=O)N(C)Cc3ccc(N(C)C)cc3)ncnc2s1	770754590	ROMJWUNNXQOBRM-LJQANCHMSA-N	409.559	3.693	10	20	HHCD	
COC(=O)COc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1Cl	771113121	MOEJOLICUVKUAN-UHFFFAOYSA-N	421.950	3.705	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccccc1Cn1cccn1)Cc1ccc(N(C)C)cc1	771790726	FXGLZXQWMAFNRJ-UHFFFAOYSA-N	419.573	3.524	10	20	HHCD	
C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)c(F)c1	772875203	KGWFNZWJAFINQF-HKUYNNGSSA-N	421.557	3.930	10	20	HHCD	
COc1ccc(OC)c(CCCN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	773114250	HLQABJORJGFRDH-KRWDZBQOSA-N	402.510	3.963	10	20	HHCD	
CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	773238714	WPXRLTCCLYKGMI-FIBVWIARSA-N	421.557	3.832	10	20	HHCD	
CCOc1cccc([C@H]2C[C@@H]2NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	775778352	NGUNDKYQKWGAFW-PKTZIBPZSA-N	409.530	3.872	10	20	HHCD	
CC[C@H](C)n1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1C	778390961	RJVFWEQAMBBAHF-KSSFIOAISA-N	404.942	3.916	10	20	HHCD	
O=C(Nc1ccc(-c2cc[nH]n2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	780051419	SEXBUTIQZHUVRC-UHFFFAOYSA-N	416.437	3.543	10	20	HHCD	
Cc1ccc(-n2ncc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c2C(F)(F)F)cc1	782892849	BYNIRXCHFWDKIL-UHFFFAOYSA-N	420.343	3.650	10	20	HHCD	
CCOc1ncccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1	783484430	CAVUBWXZYSWATI-MRXNPFEDSA-N	404.470	3.795	10	20	HHCD	
Cc1nn(C(C)(C)C)cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	784639538	XPGWTKBUVBMDPH-UHFFFAOYSA-N	406.477	3.947	10	20	HHCD	
CO[C@@H]1CCOc2c(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cccc21	790566837	AFWNGDYFMRKFRO-HRAATJIYSA-N	411.502	3.876	10	20	HHCD	
C[C@H](NC[C@@](C)(Cc1ccccc1)[C@@H](C)O)c1ccc(N2CCOCC2)c(F)c1	790725519	NVUBTUSALFIXNV-XLNZFTOWSA-N	400.538	3.943	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](Nc2cccc(Br)c2)C1	791165845	WZOZKDLJZQJYII-NBEHIINDSA-N	417.303	3.977	10	20	HHCD	
Cc1cc(C(=O)CN2CCn3cnnc3[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	792376712	YGWOCQXYDMUYHH-OAHLLOKOSA-N	415.444	3.547	10	20	HHCD	
CC[C@@H]1c2ccsc2CCN1C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	793572038	VNLRTUCZTMPMNA-OAQYLSRUSA-N	413.587	3.553	10	20	HHCD	
Cc1nc2ccc(Br)cn2c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	793857296	UILHCRRQWBTSRN-GFCCVEGCSA-N	401.308	3.962	10	20	HHCD	
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(C)s1	795612591	WUSKSYCFUSSMDL-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)ccc21	795834347	ZPIBKRAJTCGJIE-UHFFFAOYSA-N	420.962	3.593	10	20	HHCD	
COc1c(C)cc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1Cl	796759410	HFZIWWCZHLKEDP-MRXNPFEDSA-N	422.978	3.743	10	20	HHCD	
CN(CCCOC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)OC(C)(C)C	797871040	WKBBLKAKQIEEKL-UHFFFAOYSA-N	405.520	3.730	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCCCC1	803300608	UOMDNOOJPGJXPS-GCJKJVERSA-N	415.578	3.566	10	20	HHCD	
CC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnc2n1CCCCC2	806918272	XGIHMAZMMDKFQP-AWEZNQCLSA-N	412.321	3.967	10	20	HHCD	
Oc1c(Cl)cc(Cl)cc1CN(CCCN1CCOCC1)Cc1ccncc1	809727848	ZEAQBOGTSUEAGT-UHFFFAOYSA-N	410.345	3.819	10	20	HHCD	
CSCc1cccnc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	810450119	ZQKWAQTYMJGVEM-OAHLLOKOSA-N	407.486	3.945	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1	812008601	CFIDISWTEAVLOY-DEOSSOPVSA-N	413.537	3.809	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1	812054607	KQCPYUMQXTZULR-VQTJNVASSA-N	423.517	3.734	10	20	HHCD	
O=C1CCCc2cc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21	814393308	JLVKKLGSZOGOFB-UHFFFAOYSA-N	400.283	3.697	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)n2)cc1C	906372558	IOULCHBOPVSEAF-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
COC(=O)c1cnc(O)c(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	916078442	VFYXOOKASDXPAR-UHFFFAOYSA-N	413.861	3.816	10	20	HHCD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	920495745	AMBLGDKVVQQXEC-QAPCUYQASA-N	416.499	3.989	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)C2CC2)cc1	1115946596	NLGISZNRDIUEIS-NRFANRHFSA-N	420.557	3.731	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCCc3nnc(-c4ccccc4)o3)CC2)cc1	1116348013	JDFFAIMNEJXDDI-UHFFFAOYSA-N	420.513	3.807	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1Cc2ccccc2C2(CCC2)C1	1322855175	OYABNPSMEDQVDI-UHFFFAOYSA-N	423.532	3.934	10	20	HHCD	
CC(=O)c1cccc(OCc2cc(C(=O)Nc3c(Cl)ccc4nonc34)no2)c1	1325345546	MISOGYCWQDMZKV-UHFFFAOYSA-N	412.789	3.898	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cc(Cl)ccc3Cl)CC2)cc1	11853419	GPHGJDYBNAHIGA-UHFFFAOYSA-N	422.356	3.944	10	20	HHCD	
C[C@@H](NC(=O)NCCCN(C)c1ccccc1F)c1ccc(N2CCOCC2)cc1	65433993	FGWDBSLVHAJQTB-GOSISDBHSA-N	414.525	3.549	10	20	HHCD	
O=C1/C(=C/c2cnc3ccc(Br)cn23)SC(=S)N1c1cccnc1	97591145	IFANNOXZNOBAPQ-MLPAPPSSSA-N	417.313	3.898	10	20	HHCD	
C[C@@H](NC(=O)NCCc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1	139930481	WQHHKLPUKOHNFK-MRXNPFEDSA-N	410.543	3.736	10	20	HHCD	
CC1CCN(C(=O)c2ccc(N[C@@H](C)c3ccc(N4CCOCC4)cc3)nc2)CC1	301228177	HJWPHSDXBFSBOB-IBGZPJMESA-N	408.546	3.963	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(Br)ccc2Cl)cc1	303210666	RFHURWJIPOJFMH-UHFFFAOYSA-N	417.756	3.989	10	20	HHCD	
Cc1c(CNC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n(C)c2ccccc12	471235002	KTLRNPNQQMICQT-FQEVSTJZSA-N	403.526	3.584	10	20	HHCD	
COCCOc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1Cl	542013601	SZCKHQXTOFTVHF-UHFFFAOYSA-N	405.882	3.862	10	20	HHCD	
Cc1ccc(F)cc1S(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726600188	DGSNCLPLEMVFAQ-UHFFFAOYSA-N	414.449	3.683	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Cl)s1	726604198	YGGVRYBSHMNNFC-UHFFFAOYSA-N	422.906	3.950	10	20	HHCD	
O=C(Nc1ncn(Cc2ccccc2)n1)N(Cc1ccco1)Cc1ccccc1O	726699469	OVCRVKBFLIRERD-UHFFFAOYSA-N	403.442	3.859	10	20	HHCD	
COc1ccc(OC)c(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1	728839761	ZSNMDMGSMKMRAA-UHFFFAOYSA-N	410.436	3.903	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cc(I)c[nH]3)cc2)CC1	734434302	SOSMQVMUAXGDIY-UHFFFAOYSA-N	423.298	3.786	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl	734466873	FHXXXJJVRICOMQ-CYBMUJFWSA-N	408.329	3.803	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCN1CCc2sccc2C1	735887496	SXQOSJKPBREKBU-UHFFFAOYSA-N	400.592	3.792	10	20	HHCD	
C[C@@]1(C(=O)NCCCSc2nccs2)CCCN(C(=O)c2ccccc2)C1	742074503	KQCPXKXZZJMRCP-HXUWFJFHSA-N	403.573	3.684	10	20	HHCD	
COCCOC[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	742089798	AISVVNHKRVOXJQ-CYBMUJFWSA-N	409.324	3.638	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(C3CCCC3)CC2)c1	743377962	RMLBJGQBFRSDKS-UHFFFAOYSA-N	400.563	3.829	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(CC(F)(F)F)cc1	743883729	OOVXMYAEOIFUQR-UHFFFAOYSA-N	405.420	3.647	10	20	HHCD	
CCO[C@@H](CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1	747510830	KJHDLJUATDOEQS-QFIPXVFZSA-N	421.557	3.571	10	20	HHCD	
Cc1cc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)ccc1F	748019037	KIWGMYHLEQAGGU-UHFFFAOYSA-N	420.487	3.632	10	20	HHCD	
Cc1nccn1C[C@@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	749197300	ZXSKMYFQUOKERE-SFHVURJKSA-N	409.534	3.899	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1	753643368	JJEVEDRJKITWEJ-MLCYQJTMSA-N	409.269	3.645	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCc3ccc(OC(F)F)cc3)CC2)cc1F	753802029	AQMFJFFQUZSZRH-UHFFFAOYSA-N	423.435	3.510	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccnc(Cl)c1F	754404036	RXMUBPNMJHOHTF-UHFFFAOYSA-N	417.790	3.660	10	20	HHCD	
Cc1cc(C)c(O)c(CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1	754730949	XKDHKDKPBBAMDI-UHFFFAOYSA-N	414.980	3.621	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc2c1O[C@@H](C)C2	756269536	QCFXCRFDEMVTIB-JTSKRJEESA-N	424.541	3.906	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	757275770	RKDVPHPMFSXNQL-QFIPXVFZSA-N	422.573	3.518	10	20	HHCD	
COc1coc(COC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1=O	757906706	PKHFMXQCAPCWKE-UHFFFAOYSA-N	401.846	3.995	10	20	HHCD	
CC(C)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1cccc2ncccc12	759589928	BNSKWFRXEPWZDW-XBFAEUMISA-N	406.438	3.866	10	20	HHCD	
COc1cc(N2CCN(CCOc3cc(C)ccc3C)CC2)cc(OC)c1OC	759880061	WCTHRKQUJRWNAP-UHFFFAOYSA-N	400.519	3.530	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	764414173	NRMPDFPMCCJGOW-CZUORRHYSA-N	406.477	3.907	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCC(CO)CC2)cc1	764903239	FXPHUADCWUSWRY-UHFFFAOYSA-N	421.585	3.811	10	20	HHCD	
C[C@@H]1CN(CCCCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C[C@@H](C)O1	765404323	CJEFKQANUOOMLT-GUDVDZBRSA-N	410.002	3.717	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NC3CCN(Cc4ccncc4)CC3)C2)cc1	766236044	CEDPPMYEMOQFGJ-FQEVSTJZSA-N	416.516	3.906	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)cc1F	766414910	OFQFFIFZTQLCEL-GJZGRUSLSA-N	408.395	3.704	10	20	HHCD	
COCOc1ccc(OC)cc1CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	766454377	LUNNXUYEBZMXQI-CALCHBBNSA-N	418.509	3.720	10	20	HHCD	
COc1ccc(CCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1F	768911688	GYDJEVYNHOZLEZ-SFHVURJKSA-N	420.912	3.907	10	20	HHCD	
Cc1cccc(C)c1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	769717985	RRFHTMOMHAZNDK-UHFFFAOYSA-N	414.417	3.917	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCCC[C@@H](S(C)(=O)=O)C3)c2C)c1	769726272	BLAGUYSJMDJCIA-HXUWFJFHSA-N	402.560	3.750	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(N3CCOCC3)nc2C)cc1	770273649	DZTRMTKACJCRHN-UHFFFAOYSA-N	411.550	3.737	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2cccnc2)c(C)n1-c1ccc(Br)cc1	772511446	VVGYHCZLMSTPIY-IBGZPJMESA-N	414.303	3.715	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)cc1	773231879	SFLJZNNXQNOCIP-UHFFFAOYSA-N	410.566	3.550	10	20	HHCD	
CCCN1C(=O)CCc2cc(NC(=O)NCc3ccc(N4CCOCC4)cc3)ccc21	774112078	QUXRTBQVPPPBSM-UHFFFAOYSA-N	422.529	3.534	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1	774486113	VWPMWDBOIAEGHB-ROUUACIJSA-N	410.562	3.912	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](c3ccc(Br)cc3)C2)c1O	774851532	FKCHXWZLVJLHQZ-INIZCTEOSA-N	423.263	3.645	10	20	HHCD	
C[C@H](NCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	775260906	RESJAZXWFMMAMC-HNNXBMFYSA-N	407.436	3.831	10	20	HHCD	
COCCC1(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCCCC1	776119829	MLZREWLANLQZRR-LJQANCHMSA-N	403.567	3.870	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1[C@H](C)C1CC1	777418961	JIASZYBZLHOFJS-BEFAXECRSA-N	416.953	3.916	10	20	HHCD	
COc1c(F)cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1[N+](=O)[O-]	777963440	JBWYUXFANPECDW-UHFFFAOYSA-N	424.450	3.582	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCC[C@H]2CCO)sc(C)c1-c1ccccc1	778273626	ZQODQKUIYRIDSU-KRWDZBQOSA-N	416.543	3.686	10	20	HHCD	
O=C(Nc1csc2ccccc12)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	779149955	RGZWFNXQDVBFLU-INIZCTEOSA-N	410.495	3.753	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCn3ccnc3C2)c(C)n1-c1cccc(Br)c1	779213457	JQEMUGKBCLQWJO-MRXNPFEDSA-N	413.319	3.798	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@]23CCOC3=O)c(C)n1-c1ccc(Br)cc1	779253869	QENJYZKPQLQQEK-FQEVSTJZSA-N	417.303	3.778	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3ccc(NC(C)=O)cc3)CC2)cc1	781878303	CJSVAWGNCVDTBY-LJQANCHMSA-N	410.562	3.517	10	20	HHCD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	782108868	VTINCSPRZMFHNY-UHFFFAOYSA-N	404.514	3.968	10	20	HHCD	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783350720	MRYLYKXAYHMVHQ-UHFFFAOYSA-N	401.802	3.590	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nn1[C@H](C)C1CC1	784649096	FDYYTZOSOSSTPS-GOSISDBHSA-N	423.561	3.750	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCCC(=O)N(C)C)c2C)c1	785833948	KKUDZVDJSVTOTH-UHFFFAOYSA-N	416.543	3.800	10	20	HHCD	
CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	789459834	QYQZROJOIMORCM-JOCHJYFZSA-N	405.498	3.702	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3c(C)nn(COC)c3C)n2)s1	789725785	CLHUFWFHDVNYBU-UHFFFAOYSA-N	412.562	3.652	10	20	HHCD	
COc1cccc(Cl)c1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	790231802	VSIPBLNZELQMSW-UHFFFAOYSA-N	417.937	3.557	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc4ncccc4c3)cc2F)C[C@@H](C)O1	792037505	CRHZBBYTONTGQL-CALCHBBNSA-N	422.504	3.987	10	20	HHCD	
CNC(=O)COc1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c(C)c1	794417402	ZWGPBKOLMQQBRI-UHFFFAOYSA-N	421.497	3.788	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C2CCC(NC(=O)C3CC3)CC2)c(C)n1-c1ccccc1	795959657	UJFAPUSJXRDVOD-UHFFFAOYSA-N	422.525	3.905	10	20	HHCD	
CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2cc3c(cc2O)OCO3)c1	796387906	JYICYHOEADPDLQ-UHFFFAOYSA-N	412.467	3.558	10	20	HHCD	
CCc1ccnc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	798108510	ADGYQQKXQHZDGU-MRXNPFEDSA-N	404.461	3.714	10	20	HHCD	
CSc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	798373303	VZSPUPOKXAAFDX-HNNXBMFYSA-N	403.523	3.945	10	20	HHCD	
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	798377342	RELGGTKLTGMWNQ-HSZRJFAPSA-N	421.541	3.557	10	20	HHCD	
CCCOc1cc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)ccc1OC	799200877	NNPLTHPOZSCCQM-VBKFSLOCSA-N	409.529	3.638	10	20	HHCD	
CC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	800720290	RJXNDOMCBCZVEJ-VQIMIIECSA-N	420.985	3.634	10	20	HHCD	
CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCCCSc1nccs1	801154279	BTOCSXAFBSQIQY-CYBMUJFWSA-N	418.009	3.911	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3ncnn3-c3ccccc3)ccc21	801255034	OIMUIHRFTDGHOI-UHFFFAOYSA-N	404.470	3.842	10	20	HHCD	
COCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	802527333	CCIYMAPRGCHAPJ-UHFFFAOYSA-N	406.534	3.613	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2cc(F)cc(Br)c2)CC1	803090165	WDMDZWQWHKAOOW-NSHDSACASA-N	408.267	3.778	10	20	HHCD	
CC[C@H]1CCCCCN1C(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	803448981	KIWGOXOZLVVNQG-KRWDZBQOSA-N	423.504	3.554	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)COCc3ncc(C)o3)c2C)c1	803896047	DZBGFUSCSCVREV-UHFFFAOYSA-N	410.470	3.950	10	20	HHCD	
CCCCC[C@H](NC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1)C(C)(C)C	804317733	NTPLRASKFVXYIA-NRFANRHFSA-N	417.594	3.891	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(C)cc2SC)cc1F	804851741	MYXVNIPIBYTQEC-UHFFFAOYSA-N	417.550	3.635	10	20	HHCD	
CSc1cccc(F)c1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	804988362	BBIBPTVDYXIBDJ-OAHLLOKOSA-N	403.523	3.945	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)[C@H](C)c3ccccc3)cc2)CC1	805025867	XGAKABIPJMRGEM-PMACEKPBSA-N	407.558	3.848	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccccc1-n1cccn1	805742144	FMDQJERQIVNRPE-SFHVURJKSA-N	420.513	3.584	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)Sc1ccccc1	807633330	XUGIPEMIEFIUPJ-KRWDZBQOSA-N	400.544	3.818	10	20	HHCD	
COc1cc(F)c(F)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	810395878	PAYBCPRYEMXWQW-UHFFFAOYSA-N	403.429	3.860	10	20	HHCD	
COc1cc(Br)cc(CN2CCCN3c4ccccc4C[C@@H]3C2)c1O	811512613	HBYDMKRIUWVAJV-QGZVFWFLSA-N	403.320	3.800	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NS(=O)(=O)Cc1noc2ccccc12	917422944	OOOPTIQUEVUNPB-UHFFFAOYSA-N	415.496	3.557	10	20	HHCD	
CCOc1cc2c(cc1NC(=O)NCc1ccc(N3CCOCC3)cc1)O[C@@H](C)C2	919773122	VNBKNTMAWQYYQC-INIZCTEOSA-N	411.502	3.567	10	20	HHCD	
CCCCN(C(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@@H]1CCS(=O)(=O)C1	919993196	OVRHLHBWOFUHQP-LJQANCHMSA-N	402.560	3.832	10	20	HHCD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	920873374	YWNSTNQQIQWARO-ROUUACIJSA-N	424.545	3.934	10	20	HHCD	
C[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC(C)(C)O1	920887364	IZLPTINVGZTAOK-OJNRTJSBSA-N	424.613	3.755	10	20	HHCD	
C[C@@H](c1ccsc1)N1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1	1116630477	YGXARJLGTFUSOJ-SFHVURJKSA-N	402.583	3.518	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)c1	1324911994	OAXZDGAHBWZXIQ-GCJKJVERSA-N	412.917	3.962	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1F	1339518802	LDFOPDRZZZHLAA-UHFFFAOYSA-N	405.495	3.965	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1	10647707	IWPMPUBFZNUFRE-UHFFFAOYSA-N	405.431	3.627	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCNC(=O)C(C)(C)C)c2C)cc1F	25983063	DHCPEOIYAXQLBN-UHFFFAOYSA-N	416.493	3.820	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)ccc21	483420307	XKZIOGLKYYNRCI-UHFFFAOYSA-N	407.449	3.877	10	20	HHCD	
Ic1cccnc1N1CC=C(c2c[nH]c3ncccc23)CC1	524841984	QDEHNSUOWZXSPQ-UHFFFAOYSA-N	402.239	3.856	10	20	HHCD	
Cc1nc(-c2ccco2)ccc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	726227255	JKHXBPOIZFYCSE-UHFFFAOYSA-N	407.470	3.531	10	20	HHCD	
COCCOc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	727591776	WGIJNANXSSARPZ-INIZCTEOSA-N	417.481	3.570	10	20	HHCD	
CN(C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)c1nccs1	731036186	ISXRSNRICDOVQC-UHFFFAOYSA-N	416.547	3.583	10	20	HHCD	
C[C@H](Oc1ccccc1Br)C(=O)NCc1ccc2c(c1)CCCN2C	732734883	GKLMANZIMCVPIF-AWEZNQCLSA-N	403.320	3.915	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c1	734016285	OKJFOCMJFJQTHT-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	734217503	YXEOAIHVQXVIIW-VQTJNVASSA-N	414.594	3.902	10	20	HHCD	
CC(C)Cn1ccc2cc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)ccc21	737166655	NSYGDXHURCTFDJ-UHFFFAOYSA-N	410.493	3.757	10	20	HHCD	
O=C(CSCc1ccncc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806674	UNEOFIXQICLRPE-MRXNPFEDSA-N	407.486	3.701	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1Cl	743282106	IZBZPRBCTNTYAH-OQLLNIDSSA-N	404.900	3.853	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)Oc1ccc(Br)cc1	743705847	RHRFSRUYBDPTHQ-CQSZACIVSA-N	406.324	3.782	10	20	HHCD	
CN(C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)c1nc2ccccc2s1	744403118	WWYYRGGBWAFGNX-QGZVFWFLSA-N	411.527	3.646	10	20	HHCD	
O=C(NC[C@@H]1Cc2ccccc21)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745728008	XKDGKFPMYFUTFF-IRXDYDNUSA-N	401.457	3.896	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)Cn1ccnc1C	745789677	BGGFVWXQVRVLNI-CYBMUJFWSA-N	409.328	3.527	10	20	HHCD	
CN1C(=O)N[C@@]2(CCC[C@H]2CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1=O	748098838	OXFBBLULJACHEB-UPCLLVRISA-N	415.578	3.797	10	20	HHCD	
Oc1ccccc1CN(Cc1nc(COc2ccc(F)cc2)no1)C[C@H]1CCCO1	749297965	NVJYCQRZBZVLIT-LJQANCHMSA-N	413.449	3.675	10	20	HHCD	
Oc1ccccc1CN(C[C@H]1CCCO1)C[C@H](O)c1ccccc1Br	752015302	LVXRYADPJFHBTD-UZLBHIALSA-N	406.320	3.869	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)CC2)cc1F	755513686	ALNGUPAALLXTIQ-UHFFFAOYSA-N	414.868	3.840	10	20	HHCD	
CCn1cc(CN[C@@H](C)c2cc(Br)cc(Br)c2O)cn1	756732099	FIHNHMPQWBNXDA-VIFPVBQESA-N	403.118	3.984	10	20	HHCD	
C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2Br)c2c(O)ccc(F)c21	756761974	VPCXHESERMYSTM-LALPHHSUSA-N	410.283	3.872	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O	758527185	HDUWNMQNSVLXAH-VQIMIIECSA-N	410.283	3.558	10	20	HHCD	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	758699037	CFBJFAUQMALHSS-AWEZNQCLSA-N	419.447	3.769	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1cnn(-c2cnc3ccccc3n2)c1	760036770	IQPFTBCHFBJEJX-UHFFFAOYSA-N	414.469	3.722	10	20	HHCD	
C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CC[C@H](C(F)(F)F)C1	761047765	XAUUCTQNBLKWDA-OLZOCXBDSA-N	416.399	3.673	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(C2CCCC2)n1	763419040	PYKHIQLMKUVBAH-HNNXBMFYSA-N	404.461	3.998	10	20	HHCD	
O=C(NC[C@@H]1CCCCN1C1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	764852710	WOHAHDKXQVLTEE-IBGZPJMESA-N	422.520	3.573	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CN(C)[C@H]2CCSC2)cc1	766883959	NVIZVLLCNODQPK-NRFANRHFSA-N	413.587	3.732	10	20	HHCD	
COCc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1	767312664	NJSQZSVGCMKYQA-UTKZUKDTSA-N	413.518	3.870	10	20	HHCD	
O=C1/C(=C/c2cncc(Br)c2)SC(=S)N1CCc1ccccn1	767359560	GZDHYXKSUWHHQZ-ZSOIEALJSA-N	406.330	3.683	10	20	HHCD	
COc1ccc(OCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C	767939942	UGCDKBRFHGAHJZ-UHFFFAOYSA-N	420.456	3.769	10	20	HHCD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1	769494071	WHUKMVJBJPEZFA-QHAWAJNXSA-N	414.594	3.792	10	20	HHCD	
COCC[C@@]1(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CCOC1	772719936	BBGNEOTZMIRYTQ-HXUWFJFHSA-N	421.335	3.782	10	20	HHCD	
Cc1cc(C(=O)CN2CCCN(C(N)=O)CC2)c(C)n1-c1cc(Cl)cc(Cl)c1	772723005	NDXKWGAYTAXKQU-UHFFFAOYSA-N	423.344	3.670	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(OCCN3CC[C@H](C)C3)cc2)c1O	774935581	PMHOJNMFVNAGQK-HNNXBMFYSA-N	401.463	3.642	10	20	HHCD	
O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(Cc1ccco1)Cc1ccccc1O	775172139	LFDPWDKAZHJOLL-UHFFFAOYSA-N	421.413	3.682	10	20	HHCD	
C[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(N2CCOCC2)cc1	775257027	DMMYKJMFVJBFOI-HOTGVXAUSA-N	423.473	3.893	10	20	HHCD	
CC[C@@H](NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1O	775526640	SMIPLHPQCBMKCL-MRXNPFEDSA-N	403.422	3.805	10	20	HHCD	
Oc1ccccc1[C@H](CCc1ccccc1)NC[C@]1(N2CCOCC2)CCSC1	776263442	CGQUTFOYYUYYLK-LADGPHEKSA-N	412.599	3.864	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1	778923390	PVKCTOSSFNJCEP-UHFFFAOYSA-N	418.375	3.505	10	20	HHCD	
CCn1c(NC(=O)/C=C\c2ccc(O)c(O)c2)nc2cc(Br)ccc21	779547402	KCDXZCSLCJGHFE-YWEYNIOJSA-N	402.248	3.882	10	20	HHCD	
COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)NCc2ccc(N3CCOCC3)cc2)c1	784240232	DBAHGJQQJRWHPE-JPYJTQIMSA-N	409.530	3.825	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)c1	786834794	MJVIYRAFTSTPDE-ZDUSSCGKSA-N	415.881	3.504	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C	787587224	ICQQALQIXHWHNP-UHFFFAOYSA-N	407.474	3.985	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(OC)c2)cc1F	789483548	RXPUVRDEMFSCJP-UHFFFAOYSA-N	407.873	3.589	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1C	789566971	QAIOLYIXFSLKFC-UHFFFAOYSA-N	422.298	3.526	10	20	HHCD	
CN(C)c1cccc(CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	792237344	BIOXACVBSYBMNJ-HXUWFJFHSA-N	415.965	3.825	10	20	HHCD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	795856755	OBSOEYLJNGXOND-JPYJTQIMSA-N	410.514	3.540	10	20	HHCD	
CC(C)(C)NS(=O)(=O)c1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c1	796404129	LKOKRLPXTKKILX-UHFFFAOYSA-N	413.883	3.643	10	20	HHCD	
CSc1ccc(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	798097760	AUDHNROQHWIYPH-UHFFFAOYSA-N	413.587	3.659	10	20	HHCD	
COCCOC1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	799995685	STGORQHRSVSGIF-QGZVFWFLSA-N	423.985	3.913	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)c(C)n1-c1cccc(Cl)c1	800621842	AOZGHTKWVLGKDV-GOSISDBHSA-N	408.951	3.787	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1	801546737	XDKLWZWONWGOIZ-OAQYLSRUSA-N	424.541	3.839	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCn1c(S)nc2ccccc2c1=O	801548548	XAIDQRVVXBAMJZ-UHFFFAOYSA-N	411.527	3.610	10	20	HHCD	
COc1ccccc1O[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	806633760	CWWKJRWCKCTAGX-KRWDZBQOSA-N	401.482	3.653	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1	807289326	PVSUKPJIRSEAJS-YADHBBJMSA-N	403.526	3.522	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)ccc1I	808094898	JELQIKKFVXDKRU-UHFFFAOYSA-N	420.218	3.552	10	20	HHCD	
O=C(NC[C@H]1CCCC(F)(F)C1)C(=O)N(Cc1ccccc1O)C1CCCCC1	809762968	FWQOPSJEXVJWAQ-INIZCTEOSA-N	408.489	3.995	10	20	HHCD	
C[C@H]1CN(C)CC[C@@H]1N(C)Cc1cc(Br)cc(Br)c1O	809765017	KNKQKXFMKJYXGP-HZMBPMFUSA-N	406.162	3.689	10	20	HHCD	
Cc1nnc(CCNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)s1	811588273	DIRQPVVFXIPVEB-UHFFFAOYSA-N	419.348	3.989	10	20	HHCD	
CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]1C1CC1	812005832	NAUPDEBMZVVQRX-SFHVURJKSA-N	411.468	3.872	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc(Br)c1O	814185345	DXFXGPUEICQGNB-KPKJPENVSA-N	400.319	3.917	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1[N+](=O)[O-]	916667334	VCYNFKJILRXRRU-GJZGRUSLSA-N	416.453	3.978	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)/C=C\c3cnn(C)c3)c2C)c1	917238432	HNDDJNDSWWYZCX-HJWRWDBZSA-N	409.511	3.989	10	20	HHCD	
Cc1cc(C)cc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	917708993	DABFSDZRBIYBSP-HDICACEKSA-N	400.494	3.751	10	20	HHCD	
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1ccc(N2CCCC2)cc1	1319923854	CJFZBZRJOJZCJO-UHFFFAOYSA-N	417.575	3.984	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H](c2ccccc2)c2cnn(C)c2)C2CC2)cc1	1320205881	UXEIRKKREPVKMY-HSZRJFAPSA-N	403.530	3.950	10	20	HHCD	
COc1cc(Cl)c(Br)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1321936585	SPFIEUVGRDVDKG-SECBINFHSA-N	414.683	3.883	10	20	HHCD	
COc1ccc(NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N1CCCC1	1322447223	UMYNRYVFBRNPTO-UHFFFAOYSA-N	415.559	3.692	10	20	HHCD	
COc1ccc(C(=O)N2CCN(Cc3c(O)ccc4ccc(OC)cc34)CC2)cc1	25475483	TYAVBYJUHARMCK-UHFFFAOYSA-N	406.482	3.521	10	20	HHCD	
Cc1cccc([C@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)N2CCOCC2)c1	106264596	GRSUATMPSQJBKH-QHCPKHFHSA-N	418.541	3.601	10	20	HHCD	
Cc1ccc(C)c(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	108288274	ZUXYKGYYQWPVGM-HDICACEKSA-N	400.494	3.751	10	20	HHCD	
C[C@@H](NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	111100785	IZVHRJSTJZFEMY-OAHLLOKOSA-N	407.436	3.831	10	20	HHCD	
CN(C)c1ccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1F	301168140	JEFJDTSZPSPLGC-UHFFFAOYSA-N	417.828	3.611	10	20	HHCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)c1cc2c(cc1Br)OCCO2	725849914	XIEVGGFSNOUQQA-SNVBAGLBSA-N	408.248	3.505	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)cn1	726197769	YESKREKSYIOZLY-AWNIVKPZSA-N	410.318	3.777	10	20	HHCD	
CC(C)CC(=O)N1CCC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	726251648	MUSQQIHZTXSDKZ-UHFFFAOYSA-N	413.518	3.734	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c4c(c3)OCO4)SC2=S)cc1F	726628882	FORIBXMGTQUWDV-APSNUPSMSA-N	419.455	3.977	10	20	HHCD	
Cc1cccc(C2(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CCCC2)c1	726753678	DTDKVHDQRGWMPJ-NRFANRHFSA-N	419.569	3.825	10	20	HHCD	
CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)s1	727246411	OVHQQWXJLOKPCK-UHFFFAOYSA-N	422.557	3.951	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1	728983754	DXOVRARIFKUIKR-INIZCTEOSA-N	405.450	3.888	10	20	HHCD	
C[C@@H](NC(=O)NCCc1nc(C(C)(C)C)cs1)c1ccc(N2CCOCC2)cc1	729602690	PDUROPHYDORDIO-MRXNPFEDSA-N	416.591	3.880	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)cc2)CC1	731038921	PIMAVXSHSNCELN-KRWDZBQOSA-N	400.544	3.725	10	20	HHCD	
CN1C(=O)C[C@H](C(=O)NCCCSc2nccs2)[C@@H]1c1cccc(Cl)c1	734436454	VGPWBMSHHVHXGZ-HOCLYGCPSA-N	409.964	3.615	10	20	HHCD	
COCCn1c(C)cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1C	735328760	FGLGMYFKQGMXIU-GIJQJNRQSA-N	416.524	3.886	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3c(ccn3CC(C)C)c2)c1	737183761	MZQSPDAOEWSRKV-HNNXBMFYSA-N	409.486	3.827	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1	740609386	JHRVTZLKHSJHQF-UHFFFAOYSA-N	404.532	3.749	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(C)n1-c1ccccn1	740834393	LEGVGLIWDVFXFZ-DNVCBOLYSA-N	412.534	3.864	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCc1ccccc1OC	743870892	GBPMKMVIXKXJNM-CQSZACIVSA-N	421.335	3.690	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC3CCN(C[C@H]4CCOC4)CC3)c2C)c1	749397641	UAWNEEIGUXZEJE-OAQYLSRUSA-N	409.574	3.942	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccccc1OC1CCCC1	749730897	ZPSAFEVRNJZOPZ-UHFFFAOYSA-N	405.545	3.702	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2ccncc2)c(C)n1-c1ccc(Br)cc1	750470598	WPAVWGSDIUZFKJ-IBGZPJMESA-N	414.303	3.715	10	20	HHCD	
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)o1	750827279	AZSCXMNGOWFPAM-QHCPKHFHSA-N	423.444	3.785	10	20	HHCD	
CCc1nc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nn1-c1ccccc1	751301475	DRXRCJOMVXUUCT-UHFFFAOYSA-N	409.453	3.792	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2cc3cnn(C(C)C)c3nc2Cl)cc1	753591518	KKVRCMOVFTYCGK-UHFFFAOYSA-N	402.882	3.854	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)n2)ccc1F	753978748	UUWWZPBIZILWHR-UHFFFAOYSA-N	417.491	3.649	10	20	HHCD	
CC(=O)Nc1ccc(O)c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	755163868	KCVNSNABOLOCEA-UHFFFAOYSA-N	407.470	3.852	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1O	756040301	NQHUXSMMQNGIII-GOSISDBHSA-N	410.445	3.875	10	20	HHCD	
C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(Br)ccc1O	756356999	BFSIJULGDZJOAI-BEFAXECRSA-N	405.336	3.879	10	20	HHCD	
C[C@H]1CN(C(C)(C)CN[C@H](C)c2cc(Br)cc(F)c2O)C[C@@H](C)O1	756367514	NEYHKOOYYSSDSM-FRRDWIJNSA-N	403.336	3.832	10	20	HHCD	
Cc1nc([C@@H](C)OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)no1	759552827	XHBPLRNCWWEELK-PEHNMLCRSA-N	423.541	3.725	10	20	HHCD	
Cc1ccc(-c2csc(NC(=O)COC(=O)/C=C/c3ccc(O)c(O)c3)n2)cc1	759588958	QJQFEACWXMNCEW-WEVVVXLNSA-N	410.451	3.725	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](C)[S@](=O)CC3)c2C)cc1	759865066	BZNOLAAKGYHRCQ-JYRCXFKTSA-N	402.560	3.518	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCOc2ccc(F)cc21	761149340	HCUOZOKCTUNAOR-INIZCTEOSA-N	404.825	3.863	10	20	HHCD	
COc1cc(Cl)cc(CN2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)c1O	761215713	LLZRNGXWOZXECM-MRXNPFEDSA-N	414.811	3.746	10	20	HHCD	
O=C(CCSc1ccccn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761984473	ZGQNHEOHSNQLNY-KRWDZBQOSA-N	405.951	3.704	10	20	HHCD	
C[C@H](NC1CCN(C(=O)c2ccco2)CC1)c1ccc(N2CCOCC2)cc1Cl	764818472	LSUAFUVIXDQLEO-INIZCTEOSA-N	417.937	3.725	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F	772536287	GTONAVSVDUIWGC-SJCJKPOMSA-N	405.436	3.563	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(CC(C)(C)O)CC2)cc1	772689393	ZROASMOHMHUIKF-UHFFFAOYSA-N	409.534	3.697	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1O	775047850	NMXUGGRRQIVFAA-ACJLOTCBSA-N	423.872	3.884	10	20	HHCD	
CC[C@@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1cc(Cl)ccc1O	775497341	QAGKWVHFTQXZMQ-QGZVFWFLSA-N	406.910	3.762	10	20	HHCD	
COc1ccc(SC)c(OC)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	775676498	WXVRSKSIZNDAEH-OAHLLOKOSA-N	416.543	3.753	10	20	HHCD	
COc1ccc(F)cc1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	775881881	YXKDAZPQNZIUOM-GOSISDBHSA-N	406.885	3.517	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnc2c(c1)COCC2	777736311	DKSCJZPOXSHVKT-UHFFFAOYSA-N	406.280	3.676	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@H](O)[C@H](C)C2)sc(C)c1-c1ccccc1	778255688	SFWXRFDKXBHKBE-PBHICJAKSA-N	416.543	3.541	10	20	HHCD	
Cc1c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cnn1CC(C)C	782897444	WTMANPKCHMKKPX-UHFFFAOYSA-N	412.534	3.853	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1	784058324	PUMHNHIZFCMAKL-UHFFFAOYSA-N	410.474	3.752	10	20	HHCD	
Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cc2)cs1	785427983	IIDMRBGTIDJAMZ-OAHLLOKOSA-N	422.554	3.678	10	20	HHCD	
O=S(=O)(Nc1ccc2c(c1)OCO2)c1cc(Cl)c(Br)cc1F	788049624	ZWXNSPJNOHOMBC-UHFFFAOYSA-N	408.632	3.771	10	20	HHCD	
COc1c(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)oc2ccccc12	788757169	QHZOIIAQGBFFQR-INIZCTEOSA-N	409.486	3.838	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1	789837987	IYFLBKQSXGOXMR-HJFSHJIFSA-N	404.532	3.898	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OCCCOC	790411740	PYSZTCPBYZVDGA-UHFFFAOYSA-N	415.895	3.660	10	20	HHCD	
COc1cccc(Cl)c1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	790537982	XYUYCRASBGJTEJ-INIZCTEOSA-N	404.894	3.945	10	20	HHCD	
CSc1ccccc1CN(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	792040672	UTDUDFWQAUWDDR-UHFFFAOYSA-N	403.523	3.726	10	20	HHCD	
CC[C@H](CO)NC(=O)Cc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1	792852315	BVUBIAIKNLVFMU-QGZVFWFLSA-N	423.479	3.813	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C	795397629	XKXJRYFEAUPEKC-FQEVSTJZSA-N	419.566	3.516	10	20	HHCD	
COC(=O)c1ccc(Cl)c(CNCc2ccc(N3CCC(CO)CC3)cc2)c1	795901713	LFURFLXWRCYJQN-UHFFFAOYSA-N	402.922	3.625	10	20	HHCD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)NCc2cccc(Br)c2O)cc1	798082652	ZGCINEQOSYXZJT-DOTOQJQBSA-N	405.292	3.909	10	20	HHCD	
Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	802550140	NSCMFVGIDKKVDI-UHFFFAOYSA-N	416.525	3.644	10	20	HHCD	
CCNC(=O)COc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	806187350	OGRAXCWLYOYHFP-UHFFFAOYSA-N	412.273	3.536	10	20	HHCD	
CCCN(CCN1CCCCC1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	806683337	GKSSHGTVSAPPRP-UHFFFAOYSA-N	402.583	3.572	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2nc(C3CC3)cs2)c(C)n1-c1ccccc1	806834012	SDDHWXRNVJOAOP-UHFFFAOYSA-N	408.527	3.725	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC[C@@H]1c1cc[nH]n1	806877706	DRJCKLVDUCIQBF-DNVCBOLYSA-N	419.476	3.917	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(Cc3c(O)ccc4ccccc34)CC2)C1	808229270	RSEXZKCVCQIAOK-IBGZPJMESA-N	411.546	3.672	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@]3(C)OCCc4sccc43)CC2)cc1	811943656	KOIAYISIOOPMLG-QFIPXVFZSA-N	415.559	3.513	10	20	HHCD	
CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1OC	813683433	OQJVXGXPLYSIDK-UHFFFAOYSA-N	415.229	3.945	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNC(=S)NCCc1ccccc1	916025510	CLVHHTKJDBUCTI-UHFFFAOYSA-N	423.504	3.749	10	20	HHCD	
COc1cccc(CN(C)C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1OC	917075497	XTTVVQSBOVHKCH-UHFFFAOYSA-N	413.562	3.639	10	20	HHCD	
C[C@@H](NC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)cc1	920941007	KZFBDAUPYAAALT-OAHLLOKOSA-N	409.515	3.924	10	20	HHCD	
Cc1ccc(Nc2ccccc2N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)cc1	920977557	CPTFVAPPYMBRGS-SFQUDFHCSA-N	408.527	3.934	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(F)c3)n2)cc1	1251530863	NTMHGWYQDKAIEW-UHFFFAOYSA-N	419.503	3.695	10	20	HHCD	
C[C@@H]1CN(Cc2ccc(C(=O)Nc3c(Cl)ccc4nonc34)cc2)C[C@@H](C)O1	1323481610	CFDAUKSPAVHAQS-CHWSQXEVSA-N	400.866	3.738	10	20	HHCD	
CCCC(=O)Nc1ccc(C2(NC(=O)C3=NN(c4ccccc4)C(=O)C3)CCC2)cc1	1787696932	VOHDPPGBELELAO-UHFFFAOYSA-N	418.497	3.714	10	20	HHCD	
CCOc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OCC	47293811	ZYDKKYMILZRLBL-UHFFFAOYSA-N	416.493	3.514	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1OC	63617306	DOEIOADKCDBDLR-UHFFFAOYSA-N	406.486	3.842	10	20	HHCD	
O=C(COc1cccc2ccccc12)NCc1ccc(N2CCC(O)CC2)c(F)c1	195641012	PIUJWMIIEQIQKP-UHFFFAOYSA-N	408.473	3.635	10	20	HHCD	
COc1ccc([C@@H](NCc2cc(C)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1	237265945	WQMVBEPDVPMPNQ-HSZRJFAPSA-N	411.523	3.992	10	20	HHCD	
CCOCCCN1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@@H](C)C1	303726560	SXJRNLCYEPRVRY-MHECFPHRSA-N	422.573	3.833	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCc1nc(-c2ccc(F)cc2)no1	437026537	PKSSHJTWCKHGQV-UHFFFAOYSA-N	410.449	3.690	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(OC(F)F)cc(OC(F)F)c1	539401332	QIZAPSLPBAIYHG-UHFFFAOYSA-N	414.355	3.995	10	20	HHCD	
CCOc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(O)c1	725846146	YIDRYQCWCCVHOQ-UHFFFAOYSA-N	410.436	3.936	10	20	HHCD	
COc1c(Cl)cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Cl	726288903	PRDYQZGSJFPKMI-UHFFFAOYSA-N	410.301	3.665	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(c3)NC(=O)CN4)c2C)cc1	727524643	OHZDURGBZYNVAZ-UHFFFAOYSA-N	417.465	3.806	10	20	HHCD	
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN(C)Cc1ccccc1O	732202841	GMPZWCODORPPEM-UHFFFAOYSA-N	414.483	3.961	10	20	HHCD	
COc1cc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)cc(OC)c1OC	734520150	DJZLYFOPBICYFG-OAHLLOKOSA-N	401.507	3.647	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)o1	740032152	QZEBNNAWZGKHBI-KRWDZBQOSA-N	406.486	3.739	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(=O)oc2cc3c(cc12)CCC3	741732743	JLNCQPUCFFEEIS-UHFFFAOYSA-N	404.510	3.750	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)CCc3ccccc3F)cc2F)CC1	742645304	ORPTWPQWDWGTDI-GOSISDBHSA-N	415.528	3.992	10	20	HHCD	
CCc1ccc(CNC(=O)CN(CC)Cc2cc(Br)ccc2O)s1	743870912	HFCFIRVJYHFJQL-UHFFFAOYSA-N	411.365	3.917	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2NC(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H](C)O1	746764167	PEUBLBBSQGLLFK-IRXDYDNUSA-N	414.525	3.823	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](COC)c1ccc(C)o1	746778090	SOTRZSSCVAOGQL-HNNXBMFYSA-N	411.296	3.975	10	20	HHCD	
Cc1ccc(C)c(-n2nc(C)c(/C=C3/SC(N4CCOCC4)=NC3=O)c2Cl)c1	747148292	UTZNGRAZSHEANH-GZTJUZNOSA-N	416.934	3.753	10	20	HHCD	
COc1cc(NC(C)=O)ccc1[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	747858773	YVDQVYOGMSIDAD-HNNXBMFYSA-N	415.509	3.605	10	20	HHCD	
COC(=O)c1cn(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)n1	749987524	SCZLPGCPKLKWIK-UHFFFAOYSA-N	417.412	3.870	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(CCC(F)(F)F)CC1CC1	752362750	MURJTXOFQBWRLH-UHFFFAOYSA-N	403.420	3.536	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(-c4nnco4)ccc3C)CC2)cc1F	753883395	DAKIMXLFDASBNQ-UHFFFAOYSA-N	411.437	3.547	10	20	HHCD	
COCCN(C)CCCN[C@H](C)c1cc(Br)cc(Br)c1O	756409089	XNIFPNUNNGCZIL-LLVKDONJSA-N	424.177	3.536	10	20	HHCD	
C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2c(cc1O)CCCC2	756475536	JPJRCSQVNOMFOD-QGZVFWFLSA-N	414.571	3.906	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1O	756481688	FLBJUTNLPNWPRM-LLVKDONJSA-N	418.740	3.933	10	20	HHCD	
Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1	758163796	LTECHYJIYSQKQV-UHFFFAOYSA-N	424.327	3.520	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)c(C)n1-c1ccc(Br)cc1	758814978	IQXUVYNLBSNIJE-MRXNPFEDSA-N	413.319	3.867	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(F)c4cccnc34)SC2=S)cc1	759117115	KQPRCBKMMAQEMM-MHWRWJLKSA-N	409.467	3.879	10	20	HHCD	
Cn1cc(-c2ccccc2CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1	759623537	XTGDTXLXEQGFGR-OAQYLSRUSA-N	420.513	3.684	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1Br	761982384	KZEVFLNSGKUGNL-CQSZACIVSA-N	424.726	3.598	10	20	HHCD	
Cc1nnc(Sc2ccc(NS(=O)(=O)c3cccc4nonc34)c(C)c2)s1	765082001	VJKWUXQXPZMIMY-UHFFFAOYSA-N	419.513	3.643	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(N4CCCC4=O)cc3)cc2F)CC1	765851997	IMITUSHLYATYTF-IBGZPJMESA-N	424.564	3.945	10	20	HHCD	
Cc1cccc(C(=O)N2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)c1	768252138	XYYCVQTTZRPIKC-UHFFFAOYSA-N	403.866	3.610	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCOC2(CCOCC2)C1	769201918	WUWPPJDUUIWYAS-FQEVSTJZSA-N	401.551	3.547	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)c(F)c2)C(C)C)cc1	769354014	ZBEZFEHOVYGHHS-FQEVSTJZSA-N	417.525	3.500	10	20	HHCD	
C[C@@H](NCc1nc(COc2ccccc2)n[nH]1)c1cc(Br)c(F)cc1O	769984906	FXZKOISUZPAKGK-LLVKDONJSA-N	421.270	3.842	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1	773232287	UGDBYXSVFRKSHM-UHFFFAOYSA-N	415.501	3.519	10	20	HHCD	
CC(C)N(C)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F	773847993	QTVULQSOSKWLSD-OAHLLOKOSA-N	400.498	3.552	10	20	HHCD	
COc1cc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2O)c(SC)cc1OC	774903975	ONNXUHIMDWXLFD-UHFFFAOYSA-N	408.476	3.680	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCc3cc(Br)cc(F)c3C2)c1O	775054947	CLEQEJQIFHFUMM-UHFFFAOYSA-N	411.227	3.769	10	20	HHCD	
C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc(Br)c1O	775150973	CVGVVEYPDFMGMJ-LLVKDONJSA-N	408.252	3.570	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)c1	775368798	GCFDFRBUPDACSU-NSHDSACASA-N	421.400	3.912	10	20	HHCD	
C[C@H]1CN(Cc2csc(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)n2)C[C@@H](C)O1	775433031	SGRGHNMJCMUUDP-XHSDSOJGSA-N	417.579	3.701	10	20	HHCD	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775834149	PXLHYTXMYZWEMO-LJQANCHMSA-N	410.562	3.589	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1nn(C)c2ccccc12	776178081	FZNIJRLQASBERG-UHFFFAOYSA-N	405.546	3.948	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3C3CCOCC3)cc2F)C[C@@H](C)O1	776897103	SJNUEOUGLRVETK-CBGDNZLLSA-N	419.541	3.540	10	20	HHCD	
COc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2Br)cc1F	777473964	OIFAVERNLVPJHP-UHFFFAOYSA-N	415.244	3.819	10	20	HHCD	
COc1ccc(Cn2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)n2)cc1	779510299	SFRWATGMKMBVTJ-UHFFFAOYSA-N	405.502	3.862	10	20	HHCD	
CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)co1	780935362	JPGWJATZQVQCKP-UHFFFAOYSA-N	400.475	3.819	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C3(C)CCCCC3)cc2F)C[C@@H](C)O1	781268445	MEORIRYWXRXECP-IAGOWNOFSA-N	420.525	3.569	10	20	HHCD	
COCCO[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1	781699219	GTKVLQWBVQAEGH-GOSISDBHSA-N	421.335	3.734	10	20	HHCD	
C[C@H](NCc1c(C(F)(F)F)nn(C)c1Cl)c1ccc(N2CCOCC2)cc1	782497089	NGEGCJWMOFUQLS-LBPRGKRZSA-N	402.848	3.780	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783327278	LPGQRVYFPFKSOO-UHFFFAOYSA-N	403.910	3.790	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1	784029734	GKXKAGYBGGJMBE-UHFFFAOYSA-N	406.429	3.835	10	20	HHCD	
O=C(Cc1cccc(N2CCCC2=O)c1)Nc1c(-c2ccccn2)nc2ccccn12	784054235	KHRTXVSZZOLNDO-UHFFFAOYSA-N	411.465	3.704	10	20	HHCD	
CCOC(=O)c1ccccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784108526	ZGLLJLRUOYNFPF-UHFFFAOYSA-N	409.486	3.607	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ccco4)s3)cc2)CC1	786263540	ZCFOZRMBVCTTIJ-UHFFFAOYSA-N	409.511	3.607	10	20	HHCD	
Cc1cccc(OCCCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C	787067236	ZIIXEZAFFSJWHD-HXUWFJFHSA-N	411.546	3.969	10	20	HHCD	
CN(C)c1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(C(F)(F)F)c1	794869736	MKXDPHWZXGKYAI-MDWZMJQESA-N	418.462	3.837	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1ccc(N2CCCCC2)cc1	795768241	LIIGJSQWZNAAOK-UHFFFAOYSA-N	403.530	3.742	10	20	HHCD	
CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@H](C)C(F)(F)F	797354814	DMZIXGUNINNXPA-SNVBAGLBSA-N	420.343	3.783	10	20	HHCD	
Cc1ccc(C2=NO[C@H](CNC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)C2)cc1	800753670	HUVIIXNDSFPDHB-SFTDATJTSA-N	423.513	3.584	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2cc(F)ccc21	801545397	OBLSFLZNYVCGMU-UHFFFAOYSA-N	418.471	3.597	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(O)cnc2ccc(Cl)cc12	801599763	BRSIKVZTRGEPCZ-UHFFFAOYSA-N	411.889	3.703	10	20	HHCD	
CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	801910781	WYUCJHTZBNGUKL-UHFFFAOYSA-N	416.529	3.919	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(COC)CC1	802403169	CLPBFIXMIRNYJF-UHFFFAOYSA-N	423.561	3.862	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C	802609572	GBTVQNXXGILOQI-UHFFFAOYSA-N	409.408	3.882	10	20	HHCD	
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(N3CCOCC3)cc2)C1=O	804145234	AYWLZQMGDROPQI-QFIPXVFZSA-N	413.905	3.534	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)c3nccn3-c3ccccc3)CC2)cc1	806068763	PHUOBRCKKNAGBG-GOSISDBHSA-N	419.529	3.910	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc21	806879184	WNKFUYRQMHZWGS-UHFFFAOYSA-N	424.501	3.587	10	20	HHCD	
COc1cc(Br)cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1	808114461	ZIMFDSQCPBWLSP-UHFFFAOYSA-N	410.648	3.757	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](Cc1ccccc1OC)C(C)C	808335162	RQGXWVJSSUISTA-HXUWFJFHSA-N	412.530	3.523	10	20	HHCD	
O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	809707269	FFQOGPYEHPIBBY-CABCVRRESA-N	403.306	3.569	10	20	HHCD	
CSC1(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CCN(C)CC1	811940022	GJJQLPZWMVLAJQ-UHFFFAOYSA-N	414.619	3.763	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@]4(CCc5ccccc5O4)C3)CC2)cc1	812024286	KYJKGPKKKIOLKQ-RUZDIDTESA-N	421.541	3.843	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@@]3(CO)C[C@@H]3c3ccccc3)cc2)CC1	812034934	DIPNLXNYQSNOMT-ILBGXUMGSA-N	407.558	3.888	10	20	HHCD	
O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(Cc2ccccc2O)CC1	812809992	OTCPEVGOWFQPLH-RUZDIDTESA-N	415.537	3.568	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CSC(c3ccccc3O)=N2)cc1F	816922014	ORATXDAQKXOPAP-QGZVFWFLSA-N	401.507	3.556	10	20	HHCD	
Cc1ccc(-c2nnc(S)n2CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	914440341	WTMCEAXCZJUOHE-UHFFFAOYSA-N	421.570	3.799	10	20	HHCD	
CCOC(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1	914454526	CCRFPCAWELJMDM-UHFFFAOYSA-N	413.518	3.743	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)COc2cccc(NC(=O)C3CC3)c2)C2CC2)cc1	914758379	JMSJKKLEBVJKMF-UHFFFAOYSA-N	407.514	3.671	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)n1-c1ccccn1	914903874	SSFLZGDELDQQPE-HNNXBMFYSA-N	408.414	3.581	10	20	HHCD	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	918118110	VXUGRKLAHYCHLL-NRSPTQNISA-N	414.594	3.792	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1	1118731544	NONHGADWMRLPTF-IBGZPJMESA-N	401.938	3.731	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1O	1324111013	CSAPWLXJUNEMTA-IHWFROFDSA-N	411.502	3.984	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(F)CC2)cc1	1801478819	OTPAWIDFYMWIMG-NUZGMZIFSA-N	409.505	3.848	10	20	HHCD	
Cc1ccoc1C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	16416855	OUTJCCXTDANAOT-CYBMUJFWSA-N	403.390	3.547	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCCC4)nn3)c2C)cc1	110505755	UASJOHCJRJFHTH-UHFFFAOYSA-N	418.497	3.832	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)CC2)cc1	195546868	KUTUDWBAOODTRG-UHFFFAOYSA-N	422.529	3.640	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O	437016612	IHVMYWBLXBMEMY-SFHVURJKSA-N	417.918	3.635	10	20	HHCD	
COc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)ccc1OC(C)C	472770488	BPBJNGZIKVLGRM-UHFFFAOYSA-N	409.486	3.537	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(Oc3ccncc3)cc2)n(C)c2ccccc12	472790889	PGBRXZFUPHFKGN-UHFFFAOYSA-N	414.465	3.929	10	20	HHCD	
Cc1nc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccccc12	726714554	FFBPVRLFAPYAJK-SFHVURJKSA-N	406.486	3.535	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCN(CCc3cccs3)CC2)c1O	728199851	XXWUZFXUAIAQOB-UHFFFAOYSA-N	422.550	3.751	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1	728982021	IIAUHOOYHFGBBY-GFCCVEGCSA-N	422.934	3.845	10	20	HHCD	
O=C(Nc1ccc(C(=O)Nc2cc(-c3ccccc3F)no2)cc1)C1=S=CC=C1	729271094	UWYPGZUFIHLNQO-UHFFFAOYSA-N	407.426	3.949	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)SCc3ccccc3)cc2F)CC1	730192463	AKNHFGOSGYHBHK-GOSISDBHSA-N	415.578	3.906	10	20	HHCD	
CCOCc1cccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1	730382464	AFRNPXDXMAYGRA-UHFFFAOYSA-N	414.525	3.826	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)CC1	731106468	VNBYQXYFDKVWFO-UHFFFAOYSA-N	401.532	3.648	10	20	HHCD	
CN(C)c1ccc(CNCCCNC(=O)c2cccc(Br)c2)cc1F	733327133	LNULGACNYOJJIT-UHFFFAOYSA-N	408.315	3.564	10	20	HHCD	
O=C(NCCc1ccc(F)cc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1	733352497	FMYXQAVWBCCDLV-UHFFFAOYSA-N	423.891	3.621	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)c1	734060051	NUFNDLBQVXFMQG-UHFFFAOYSA-N	400.353	3.672	10	20	HHCD	
Cc1oc2c(CN3CC[S@](=O)[C@H](C)[C@@H]3C)c(O)ccc2c(=O)c1-c1ccccc1	736597184	CIXOKJBGYBSLPB-HBIWAFADSA-N	411.523	3.815	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cn(-c2cccc(C(F)(F)F)c2)nn1	739731751	QFFZAQZEDCAWIA-UHFFFAOYSA-N	413.450	3.655	10	20	HHCD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)NCc1ccc(N(C)C3CCCCC3)cc1)C2	742760434	QEUQXUJDMJSPLJ-HXUWFJFHSA-N	407.562	3.911	10	20	HHCD	
CO[C@](C)(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	742805113	GPGMTRAAEKAXQC-VGSWGCGISA-N	404.457	3.935	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	743213208	PUARDSMSTJVYOL-UHFFFAOYSA-N	410.453	3.829	10	20	HHCD	
COCc1cccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743547311	FIHAHJVNUYWUMS-GOSISDBHSA-N	419.472	3.903	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1	746158749	GMVNICNWXKKUOD-UHFFFAOYSA-N	412.458	3.547	10	20	HHCD	
Cc1cc(C(=O)NCC2(O)CCC3(CC2)OCCO3)c(C)n1-c1cccc(Cl)c1	746442819	SJOPIWJVJSJKEL-UHFFFAOYSA-N	418.921	3.526	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	749731665	XOCBYWGFOLJODC-UHFFFAOYSA-N	409.536	3.951	10	20	HHCD	
CCc1[nH]c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c(C)c1C(=O)OC	751305857	LYKVGTFBYNSDKR-UHFFFAOYSA-N	403.442	3.634	10	20	HHCD	
Cc1cc(C(=O)CN(C)CCc2nccs2)c(C)n1-c1ccc2c(c1)OCCO2	753276352	GOYIFBLAOWXPBJ-UHFFFAOYSA-N	411.527	3.679	10	20	HHCD	
O=C1[C@@H](NCc2ccc(OCc3ccccc3)cc2O)CCN1Cc1ccccc1	753549485	PKKRHWGKNHFGNY-QHCPKHFHSA-N	402.494	3.862	10	20	HHCD	
Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc(N2CCSCC2)cc1	753619711	QFYLOUVUUTYYER-XMMPIXPASA-N	411.615	3.711	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)C(C2CC2)C2CC2)NC(=O)OC(C)(C)C)cc1	753620787	MJXQAAIVIYEEOJ-LJQANCHMSA-N	401.551	3.871	10	20	HHCD	
CCC(=O)Nc1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753876179	KEGWQXLRASOVOE-UHFFFAOYSA-N	400.454	3.537	10	20	HHCD	
C[C@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)cc(F)c1O	756764382	HZTQTAXDHKVHTC-IGNZVWTISA-N	415.347	3.712	10	20	HHCD	
C[C@H](C1CCN(C)CC1)N(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	758449920	OMKCYMYJTLOUGB-MRXNPFEDSA-N	424.536	3.629	10	20	HHCD	
CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1	760434025	CSYGAOZTPKXYJJ-UHFFFAOYSA-N	414.575	3.571	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCCOc1ccc(F)cc1	760973767	YPHBAPAVMYGYMH-UHFFFAOYSA-N	406.841	3.808	10	20	HHCD	
COC1(c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)CCC1	762388508	NDHYQYXCQYAYOR-ACCUITESSA-N	421.569	3.991	10	20	HHCD	
CCC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc([N+](=O)[O-])c1	765256066	SJPBFJQRKXERMW-KNQAVFIVSA-N	410.518	3.928	10	20	HHCD	
CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(N(CC)CC)cc1	768163901	UAFSCYIMHYRINR-UHFFFAOYSA-N	424.589	3.830	10	20	HHCD	
CC(C)CNC(=O)C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	768231750	XIESMWOKVNFFCP-UHFFFAOYSA-N	402.539	3.569	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](C)C[S@](C)=O)c(C)n1-c1ccc(Br)cc1	768450200	SMCUKHADRLXRND-OZAJXLCCSA-N	411.365	3.696	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	768940446	JWAVRPHTGSPRKI-UHFFFAOYSA-N	408.454	3.942	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1	769650723	DMNKLUXEAPOEDM-UHFFFAOYSA-N	410.495	3.606	10	20	HHCD	
CCCN(CC(F)(F)F)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769737667	FOYUUUXZZRTKRK-UHFFFAOYSA-N	422.450	3.669	10	20	HHCD	
O=S(=O)(CCc1ccc2c(c1)CCO2)N(Cc1ccccc1O)C1CCCC1	770279072	SZWUFZNTVYMAMX-UHFFFAOYSA-N	401.528	3.644	10	20	HHCD	
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	770833261	XJCWAKDBMFKFKF-WMQCIHAUSA-N	403.567	3.504	10	20	HHCD	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1C	771133461	LXZXZIBQTXWACB-UHFFFAOYSA-N	423.491	3.872	10	20	HHCD	
Cc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Br)n1	771511009	QDXLVPBQCNOLNW-CQSZACIVSA-N	419.323	3.872	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(Nc4ccc(C)nn4)c3)c2)CC1	771637099	OCQBFXULVFDTLP-UHFFFAOYSA-N	416.529	3.923	10	20	HHCD	
CN(C)c1ccc(CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C2CC2)cc1	771790594	DSQCPNPGCXCEAM-UHFFFAOYSA-N	422.573	3.582	10	20	HHCD	
CN1CCN(CCCNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	772630927	PORUUTDKVHBZME-UHFFFAOYSA-N	408.550	3.535	10	20	HHCD	
CN(Cc1nnc2n1CCC2)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772635603	AOSZKGOWLVHUFH-UHFFFAOYSA-N	403.490	3.978	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1ccc(OC(F)F)c(Cl)c1	772768343	IVPNQTKHXXHGPG-KXFIGUGUSA-N	413.760	3.548	10	20	HHCD	
COc1cccc(CNC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1O	775317963	BHBYACDWOVBPFT-UHFFFAOYSA-N	408.420	3.814	10	20	HHCD	
C[C@H](NC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O)c1ccc(N(C)C)cc1	775411202	PKOUOWVAKWQCRB-AWEZNQCLSA-N	407.436	3.898	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2cccc(Cl)c2O)C(C)C)cc1	775680701	JTNWAWFEOKUBGS-GOSISDBHSA-N	406.910	3.654	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]1CCN(Cc2ccccc2)C1	778799969	KMGGRIWYQJTTJJ-WIYYLYMNSA-N	407.558	3.981	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCCCCNC(=O)OC(C)(C)C)CC2)cc1F	780886373	HHHPQIHZMSCPCC-UHFFFAOYSA-N	423.529	3.568	10	20	HHCD	
CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1	785421477	CRHRVBSSMJFNNC-NRFANRHFSA-N	411.546	3.671	10	20	HHCD	
CC(C)(C)c1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)n(-c2ncccn2)n1	789264596	OWXBWJMXDGZVPM-UHFFFAOYSA-N	420.517	3.866	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)c1	793414827	CQMXAKJQFZQRNR-HNNXBMFYSA-N	419.522	3.718	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@H]2CCN3CCC[C@@H]3C2)NC(=O)OC(C)(C)C)cc1	798269928	FNXHSRGNWVRCIQ-TYPHKJRUSA-N	402.583	3.535	10	20	HHCD	
CC(=O)N1CC[C@H](CN(C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	799994134	KNAFFSNFYGSTFF-QFBILLFUSA-N	420.985	3.586	10	20	HHCD	
CN(CC(F)(F)F)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	800135352	DMWPUMZDDMNTMS-HNNXBMFYSA-N	418.460	3.522	10	20	HHCD	
Cc1ccncc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800636618	LOXFYPWKFZVGRR-AWEZNQCLSA-N	400.910	3.535	10	20	HHCD	
Cc1cc(C(=O)NCC2(OCCO)CCOCC2)c(C)n1-c1ccc(C(C)C)cc1	800667632	XSKBYWOYUCSYEX-UHFFFAOYSA-N	414.546	3.505	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1	802297989	ADBFQQUQXXQKPZ-GOSISDBHSA-N	418.559	3.875	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NC[C@H]2CCC(F)(F)C2)cc1)C1CCCCC1	803678083	XOPWQRAMPXCOOV-KRWDZBQOSA-N	407.505	3.623	10	20	HHCD	
CCCC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(OC)cc1	804596034	RLIQZUGXXVLTBO-HTAPYJJXSA-N	411.546	3.986	10	20	HHCD	
C[C@@H]1COCC[C@H]1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	804619123	BRXYHNDBSJGBJR-OACWRPJVSA-N	424.613	3.518	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H](c1ccccc1)N1CCOCC1	804893256	QLYDPVCNUHGEQF-GOSISDBHSA-N	424.328	3.572	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc([N+](=O)[O-])c1F	805135321	JHTSLCREULXQTR-UHFFFAOYSA-N	409.222	3.533	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(F)cc1F	806276126	IGIKUJHRIUEZRD-OAHLLOKOSA-N	413.515	3.677	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21	806280525	PWUGMFOWOLXSPO-GOSISDBHSA-N	415.584	3.810	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C(C)(C)C)on1	807931959	ZOIGIPXGACMZAS-UHFFFAOYSA-N	401.507	3.974	10	20	HHCD	
COC(=O)c1cccc(NC2CCN(Cc3cc(Cl)cc(OC)c3O)CC2)c1	809755850	QJQGRESQBOXOKI-UHFFFAOYSA-N	404.894	3.917	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@H]3c4ccccc4CC34CCOCC4)ccc21	811955840	BWOPYQNJPVGXBM-QHCPKHFHSA-N	405.542	3.962	10	20	HHCD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(N2CCOCC2)cc1	812716654	DKGZNCMFKGSGOY-WIYYLYMNSA-N	403.567	3.648	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	814267319	ATUVAUGDSNQPMZ-ZIAGYGMSSA-N	412.552	3.596	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1	819761604	WLGWKBCSRWGATM-HNNXBMFYSA-N	420.481	3.577	10	20	HHCD	
Cc1sc(NC(=O)CN2CSCC2=O)c(C(=O)OC(C)C)c1-c1ccccc1	913193401	MDHOOUKYCDOUIT-UHFFFAOYSA-N	418.540	3.760	10	20	HHCD	
CCOC(=O)c1cnn(-c2cccc(NC(=O)NCc3ccc(N(C)C)cc3)c2)c1C	915704063	NRNXLCDAKGCKSV-UHFFFAOYSA-N	421.501	3.745	10	20	HHCD	
Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)c1	918123379	VPZWPKBKSGCMEJ-PZJWPPBQSA-N	422.573	3.908	10	20	HHCD	
COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1	921234539	MTZCMSKHXRMJPI-UHFFFAOYSA-N	404.469	3.657	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H]3c4ccccc4CC34CCOCC4)cc2F)CC1	1117641747	IYDMFFYHWOTQTP-DEOSSOPVSA-N	409.549	3.761	10	20	HHCD	
COc1cc(OC)cc([C@H](NCc2ccc(N3CCCC3)cc2)c2nccn2C)c1	1321650425	REYHVGHYPXSQRS-QHCPKHFHSA-N	406.530	3.917	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1	7176634	IRHSXURAOXLKFE-KRWDZBQOSA-N	417.465	3.625	10	20	HHCD	
COc1cc2nc(CN(C)Cc3ccc(N4CCCCC4)cc3)[nH]c(=O)c2cc1OC	8307665	YOBIXAHUEVGHLM-UHFFFAOYSA-N	422.529	3.563	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1	110362066	UHKYZVISXSISFV-QHCPKHFHSA-N	410.514	3.652	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccccc1Br	302742338	BUIVSKMGZUBFKV-UHFFFAOYSA-N	404.352	3.606	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)n(C)c2ccccc12	472782076	BPSGFFGPHRWJDB-UHFFFAOYSA-N	403.486	3.672	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726608784	CIHADWUTZRQAAJ-UHFFFAOYSA-N	418.488	3.822	10	20	HHCD	
Cc1cccn2cc(CC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)nc12	726625747	NPUMUXJVXCJMRA-UHFFFAOYSA-N	414.456	3.572	10	20	HHCD	
O=C(Cc1ccccc1Br)NCc1ccc(N2CCC(CO)CC2)cc1	729523932	YZETXOCHCPGKIU-UHFFFAOYSA-N	417.347	3.517	10	20	HHCD	
COc1cccc([C@H](O)C(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1	732344735	CEAZPTQVIODJHN-QHCPKHFHSA-N	407.466	3.871	10	20	HHCD	
CCCC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C)on1	732918861	NJQJYIXSEBKDSP-FXAWDEMLSA-N	400.523	3.668	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)cc2)nc1	733664492	CVKOABIHTQQCDG-UHFFFAOYSA-N	422.460	3.642	10	20	HHCD	
O=C1/C(=C\c2ccc(Br)cn2)SC(=S)N1c1ccc2c(c1)OCO2	735328916	GZMDOQICHJYMDP-LHHJGKSTSA-N	421.297	3.979	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F	741099892	LGKXPMFTFGRLIZ-UHFFFAOYSA-N	423.822	3.990	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)cc1	741613497	VYYYDLQPALOVJX-UHFFFAOYSA-N	411.509	3.932	10	20	HHCD	
CN(C)C(=O)COc1ccccc1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	742416547	BLRAPNYHQDPEIM-UHFFFAOYSA-N	423.557	3.853	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1C	743046067	NISONJAUIMZDMZ-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
O=C(NCCc1ccccc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743504527	SNCSWLAOUDDDHO-INIZCTEOSA-N	407.436	3.938	10	20	HHCD	
C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccc(N2CCOCC2)cc1	746169308	YQUPXANZXKQUFK-YKSBVNFPSA-N	407.558	3.755	10	20	HHCD	
O=C(NC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1	746767038	JDTUOWXIVBDRMF-QHCPKHFHSA-N	418.541	3.557	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCN(C4CCCCC4)C3)cc2F)C[C@@H](C)O1	748845931	MKEKJAAKSGCQKW-QWFCFKBJSA-N	417.569	3.710	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCc1ccc(Cl)cc1	749417008	IVCJTYRPIMYFNW-UHFFFAOYSA-N	401.938	3.951	10	20	HHCD	
O=C(CN1CCC(N2CCCNC2=O)CC1)Nc1ccc(N=Nc2ccccc2)cc1	749547454	VVODQCWWQANRRR-UHFFFAOYSA-N	420.517	3.920	10	20	HHCD	
COC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)ccn1	751380751	POKZSTKQQYCOQV-UHFFFAOYSA-N	419.481	3.790	10	20	HHCD	
COc1ccc(N2CCN(Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)cc1F	753856530	FZUXFYJEOHRZCI-UHFFFAOYSA-N	408.473	3.752	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	754678057	ZXYRYCQXGYKORH-DJIMGWMZSA-N	409.324	3.644	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CN1Cc1ccccc1	757624084	TTZLEVNXFWSODP-SIKLNZKXSA-N	424.614	3.702	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2ccccc2I)cc1F	757851276	HFCFSAGLXUFKSH-UHFFFAOYSA-N	414.218	3.514	10	20	HHCD	
COc1cccc(C2=CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2)c1	758407784	PZXDAOMQIPXTFC-SFHVURJKSA-N	407.514	3.702	10	20	HHCD	
CC(C)Oc1ccc(N(C)CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1	759934439	VJNVLBAVOZDUAM-UHFFFAOYSA-N	415.578	3.551	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cn3cc(Br)cc(C)c3n2)c1	760881673	QVMVCVHRMVIOMB-GFCCVEGCSA-N	418.291	3.748	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1c(F)c(F)cc(F)c1F	762053016	QZMHMGNGTAZAMC-UHFFFAOYSA-N	402.731	3.566	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccn(C4CCCC4)n3)cc2F)C[C@@H](C)O1	763281261	LUZDAZXTZZLWCQ-IYBDPMFKSA-N	400.498	3.681	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@H](CO)Cc2ccccc2Br)c1O	763420691	KGSIMAWTOXKSMH-GFCCVEGCSA-N	414.727	3.758	10	20	HHCD	
Cc1onc(-c2ccccn2)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	764927316	YLARYGUCZMWHQI-GASCZTMLSA-N	424.476	3.728	10	20	HHCD	
CCCCOc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2O)c1	765903787	LVZQSDPSWRMNDZ-UHFFFAOYSA-N	421.291	3.589	10	20	HHCD	
COC(=O)[C@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)c1cc(OC)cc(OC)c1	767280035	BBXGHMWXHIASMB-OAQYLSRUSA-N	424.453	3.577	10	20	HHCD	
Oc1ccccc1CN(Cc1cc2c(cc1OC(F)F)OCO2)C[C@@H]1CCCO1	768160954	FDNDXHSCQKPTTE-INIZCTEOSA-N	407.413	3.904	10	20	HHCD	
C[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772167657	DJCGVLPTVURPMK-HNNXBMFYSA-N	402.520	3.721	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)cc1	772469834	HCLCHXUDZAJMPW-UHFFFAOYSA-N	419.529	3.590	10	20	HHCD	
COc1ccc(O)c(CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)c1	772725623	REWDQAQWGKWANS-UHFFFAOYSA-N	422.300	3.795	10	20	HHCD	
C[C@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1	773225671	UBXSQMIUVZJVJM-NRFANRHFSA-N	423.605	3.715	10	20	HHCD	
COc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1C(C)C	773857334	MPWZGFWCEOPLLV-HNNXBMFYSA-N	413.518	3.709	10	20	HHCD	
CCOC1CC(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)(N2CCOCC2)C1	774478782	PTHHTWDKJRUZAD-RNQSCQIESA-N	419.585	3.737	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3ccccc3F)cc2Cl)C1	774800509	QICPGVNHOHBOJW-OAHLLOKOSA-N	417.912	3.648	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccnn2Cc2ccccc2Cl)c1	775369311	NNYPORGLYJDREK-AWEZNQCLSA-N	414.893	3.588	10	20	HHCD	
COC(=O)C1(c2ccc(S(=O)(=O)Nc3cc(C(C)C)c(O)cc3C)cc2)CC1	776280641	KEFPSSNJOHOURW-UHFFFAOYSA-N	403.500	3.829	10	20	HHCD	
O=C(Nc1cccc(N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1	776307550	WFOWSOPMPZARLH-UHFFFAOYSA-N	410.474	3.674	10	20	HHCD	
CC(C)(C)c1cc(CN[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(O)c(C(C)(C)C)c1	776497257	DCWLXHHCDAMFAB-WZONZLPQSA-N	423.619	3.813	10	20	HHCD	
CN(C)CCOc1ccc(/C=C/C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	776677061	SMUHYNYSHNDVKA-RBNVVWFDSA-N	424.541	3.554	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1	776900018	NDXIQBBYIDIPNN-CQSZACIVSA-N	407.436	3.843	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C(=O)N3CCC(O)CC3)c2)cc1	777836967	VVJYSSUBSFHOHR-UHFFFAOYSA-N	417.509	3.943	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccnn3Cc3ccc(F)cc3)CC2)cc1	779459293	VGUYTCZEAFRKNA-UHFFFAOYSA-N	423.492	3.823	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1NS(=O)(=O)c1ccccc1	779506071	NUSTZZNHIQHHHI-ACCUITESSA-N	410.451	3.551	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1	780681615	OXJDAFUZAJKBOR-LSDHHAIUSA-N	407.511	3.551	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H](CCO)c2ccccc2Br)cc1F	781932990	IYQSFMZPIXJUCE-QGZVFWFLSA-N	424.314	3.577	10	20	HHCD	
COC(=O)CCc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1	784107975	DCUABKOGMCXNNS-UHFFFAOYSA-N	423.513	3.536	10	20	HHCD	
C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1	784514458	GYMFHYVBEWHDEH-IKGGRYGDSA-N	411.493	3.761	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(C)cc(C)c1	785192692	CSEOEIYSEXJGFH-UHFFFAOYSA-N	405.292	3.759	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Cl)ccc3Cl)cc2)CC1	786260445	WLAUMPFBTBJNRR-UHFFFAOYSA-N	406.313	3.592	10	20	HHCD	
Cc1cc(C(=O)NCCOCC(F)F)c(C)n1-c1cccc(Br)c1	788539259	UDENAGAJEKIFDT-UHFFFAOYSA-N	401.251	3.868	10	20	HHCD	
COc1cc(Br)cc(CNCc2noc(-c3ccccc3C)n2)c1O	792173778	CDNNATPWPXOZDY-UHFFFAOYSA-N	404.264	3.812	10	20	HHCD	
CC[C@@H](NCC(=O)Nc1ccc(I)cc1)c1ccc(C)cc1O	793575915	WMTQEVKTYOVFGQ-MRXNPFEDSA-N	424.282	3.985	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1	793690958	ZDHWYVUXKCIKOR-HJPURHCSSA-N	412.486	3.627	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c(F)c1	795606356	KRXMQIMRVGMREV-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
O=S(=O)(CCc1cccc(Cl)c1)NCc1ccc(N2CCSCC2)cc1	795801450	JTIAUQCBRVIUPB-UHFFFAOYSA-N	410.992	3.555	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](c3ccccc3)C(OC)OC)ccc21	798267742	BGPIZWJWWZPRGI-JOCHJYFZSA-N	410.514	3.995	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC[C@H]3CCCC(F)(F)C3)cc2F)CC1	799989934	BFADEBRWJUHLOI-KRWDZBQOSA-N	412.500	3.592	10	20	HHCD	
Cc1cc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C)c(C)n1-c1ccccc1	800727914	SPLRAAHXIZLVBS-UHFFFAOYSA-N	420.561	3.631	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[C@H]3CCC(C)C)CC2)cc1	804316282	ACLYQYKCNVLRDK-AVRDEDQJSA-N	415.578	3.501	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCC1)c1ccc(N(C)C)cc1	804344762	DQFGGRYEUJYRQS-MRXNPFEDSA-N	413.949	3.821	10	20	HHCD	
CSc1cccc(F)c1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	804988361	BBIBPTVDYXIBDJ-HNNXBMFYSA-N	403.523	3.945	10	20	HHCD	
O=C(NCCc1ccn(-c2ccccc2)n1)NCc1cc(Cl)cc(Cl)c1O	805036298	DDRASXNWHDEOFS-UHFFFAOYSA-N	405.285	3.927	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H](c3ccccc3)N(C)C)CC2)cc1	806683185	BETAOEBNNOYKPU-WZONZLPQSA-N	410.562	3.655	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1	807286820	AWTPZRZSGPFMBS-NRFANRHFSA-N	409.917	3.696	10	20	HHCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cc(Br)cnc1Cl	808113906	LPRXTUHQFDWSLT-UHFFFAOYSA-N	416.055	3.796	10	20	HHCD	
CC[C@H](NCc1ccc(CS(=O)(=O)NC)cc1)c1ccc(C(F)(F)F)cc1O	810211712	VJTAJFLGMOSPEY-KRWDZBQOSA-N	416.465	3.701	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(Cl)c(F)cc3Cl)cc2)C1	815074242	MXJSMLZQAQVYKM-ZDUSSCGKSA-N	424.303	3.764	10	20	HHCD	
COc1cc(Br)cc([C@H]2NC(C)(C)C(=O)N2CC2CCCCC2)c1O	877856328	AZGMXNPIVAZYJP-KRWDZBQOSA-N	411.340	3.953	10	20	HHCD	
O=C(NCc1cccc(Cn2ccnc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	916405951	PJGNLHLVXWJHSN-JOCHJYFZSA-N	420.513	3.528	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3nc4c(s3)CCC4)cc2F)C[C@@H](C)O1	916671869	WINANXKWAJSQBN-CHWSQXEVSA-N	404.511	3.706	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3ncccc3Cl)cc2F)C[C@H](C)O1	917204419	YEWIHSSAAMAYDY-KBPBESRZSA-N	423.941	3.896	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccnc1Oc1ccccc1	918267221	VBPNNVRYIAXVKH-UHFFFAOYSA-N	416.481	3.729	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccccc2CNC(=O)OC(C)(C)C)c1O	1321018611	DNWBCWZDBGCJPH-UHFFFAOYSA-N	417.462	3.624	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3F)C2=O)cc1	1342128518	MRZFXOUMABKEBT-DHDCSXOGSA-N	421.446	3.922	10	20	HHCD	
CC1(C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)CCCCC1	1845502264	GVMZWVOHKLJBEJ-UHFFFAOYSA-N	406.910	3.539	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc2c(F)cccc2s1	7095598	CYBAURGBZYONCW-UHFFFAOYSA-N	400.475	3.922	10	20	HHCD	
Cc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cn1	7536925	WHWJSZBNNJAIKS-UHFFFAOYSA-N	415.396	3.834	10	20	HHCD	
O=S(=O)(c1ccccc1)N1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1	115103496	CTOPBYGSCHIUGV-UHFFFAOYSA-N	422.506	3.798	10	20	HHCD	
Cc1cc(C(=O)CSc2nnnn2CC(F)(F)F)c(C)n1-c1cccc(F)c1	303105795	JMRFTTPGCPCKTG-UHFFFAOYSA-N	413.400	3.757	10	20	HHCD	
Cc1nn(C(F)F)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	303127209	OMSOIUVYMJFDQN-IBGZPJMESA-N	420.504	3.711	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)CCCCN1C(=O)c1ccccc1	475933922	QDLPECXEGNVEAS-DEOSSOPVSA-N	407.514	3.563	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)ccc21	482132898	LRTKMWCQLRQMFH-UHFFFAOYSA-N	407.514	3.924	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)n(C)c2ccccc12	575085155	BXLRQWPFFPCGCB-FQEVSTJZSA-N	404.514	3.642	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc4ccc(OC)cc4nc3C)CC2)cc1	726560884	UTYPWBJISMANOV-UHFFFAOYSA-N	405.498	3.959	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)n2)s1	727248519	UFKQGKQMOGGDPE-UHFFFAOYSA-N	417.541	3.870	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)c(C)c2)CC1	728938048	MDYBROSAYZCDFG-KRWDZBQOSA-N	412.534	3.734	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CSc2nc(C)c(Cc3ccccc3)[nH]2)c1	728977757	CKDMBFGWTDHFBF-AWEZNQCLSA-N	411.527	3.993	10	20	HHCD	
CCCCN1CCCC[C@H]1CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	731222279	CMVHTGCYVHRPFD-NRFANRHFSA-N	402.583	3.618	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(-n4cccc4)c3)cc2)C1	731541271	XRBMDTRGRHTSBD-LJQANCHMSA-N	417.513	3.501	10	20	HHCD	
COC(=O)N(C)CCCC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1	732114291	AIXWGOOZNDJYOG-UHFFFAOYSA-N	413.518	3.773	10	20	HHCD	
Cc1ccc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1	732252086	MZCKMTZMCMIEGN-UHFFFAOYSA-N	404.461	3.502	10	20	HHCD	
O=C(NCc1ccccc1)NC1(C(=O)NCCCSc2nccs2)CCCC1	733879589	UKSRPVVZNIQRTI-UHFFFAOYSA-N	418.588	3.554	10	20	HHCD	
O=C(NC[C@H]1CCCN1Cc1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	734217569	KKTPKJYPVBNWRQ-PKTZIBPZSA-N	423.557	3.747	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3OCCc4ccccc43)cc2F)C[C@@H](C)O1	734320208	KBYMHOFRHAROKI-SEPYTNNBSA-N	412.505	3.760	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccccc3OC3CCC3)CC2)cc1	735632008	VRJUKJSNDKGWQB-UHFFFAOYSA-N	423.557	3.569	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1F	740919566	AYQRYFGKHXIEBP-NRFANRHFSA-N	405.477	3.524	10	20	HHCD	
COc1cc(N(C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc(OC)c1OC	741799017	SEHJPNHBRCLUEG-MRXNPFEDSA-N	412.530	3.905	10	20	HHCD	
Cc1cnc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1	742122554	WIWROUQOHAVZIH-MDWZMJQESA-N	423.610	3.811	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(CC(F)(F)F)c1	743957833	CDWZOFBGFDKUEO-UHFFFAOYSA-N	406.404	3.631	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCCC[C@H]3CNC(=O)c3ccccc3)ccc21	746756029	TYYKMFISXSFXOB-QFIPXVFZSA-N	420.557	3.563	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1	747442101	ZWCUBKWNAOUTLY-VWLOTQADSA-N	406.574	3.950	10	20	HHCD	
Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nc(-c2cnn(C)c2)cs1	747859564	BSPJCOSYGWBHRE-UHFFFAOYSA-N	402.423	3.672	10	20	HHCD	
CCOC(=O)N1CCCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1	748444035	GRUPWWUQEOOFAV-UHFFFAOYSA-N	412.534	3.510	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)c[nH]1	753137766	JZUWTXRALWWTIN-ATVHPVEESA-N	415.540	3.529	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1	753893496	NUVHBJYFMCDOKU-UHFFFAOYSA-N	411.502	3.745	10	20	HHCD	
CCc1cccc2c1OCC[C@H]2NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753895026	PEKLSAQZJRHUEA-HXUWFJFHSA-N	413.493	3.752	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]nc1-c1ccccc1Cl	755086713	YNZKEQWUHVMESD-UHFFFAOYSA-N	410.905	3.839	10	20	HHCD	
C[C@H](Nc1ccc(N2CC[C@@H](N(C)C)C2)cn1)c1ccc(Br)cc1O	756858169	QZSCDDHUJBSYHG-XJKSGUPXSA-N	405.340	3.863	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@@H](O)c2cccc(F)c2)cc1	758012148	BSWAUTGLEDMPSG-FCHUYYIVSA-N	400.494	3.523	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	758734499	PDSNCANOFCZHOB-RTBURBONSA-N	411.546	3.771	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCc1ccccc1C(=O)OC	759384473	RHZISQQANOQPBG-UHFFFAOYSA-N	420.303	3.923	10	20	HHCD	
CCCc1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)co1	759899728	BZGCADYKFNFQQE-KRWDZBQOSA-N	416.522	3.689	10	20	HHCD	
Cc1noc(C[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)n1	760052836	RXTXPKYYLXKADH-HRAATJIYSA-N	410.493	3.988	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1CCC(F)(F)CC1	761659818	BDPSXUICTWZSMU-UHFFFAOYSA-N	421.410	3.919	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1	761968999	XAYNEJBBWBPMFY-AWEZNQCLSA-N	416.433	3.692	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2ccco2)c(C)n1-c1ccccc1Br	762314996	ZHNOFMFEOJPRDK-KRWDZBQOSA-N	403.276	3.913	10	20	HHCD	
COc1ccc([C@H](CCO)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	764398787	BABVRRIPPJRHNX-QHCPKHFHSA-N	411.546	3.854	10	20	HHCD	
CC(=O)OCCc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	764694924	SRACRWNPFUJSBZ-QGZVFWFLSA-N	411.502	3.512	10	20	HHCD	
C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1ccc(N2CCSCC2)cc1	765081521	RCKDKFWCQOWRFF-HNNXBMFYSA-N	404.967	3.795	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3C(F)(F)F)cc2F)C[C@@H](C)O1	765472385	OIKUZCVFEJTWJM-BETUJISGSA-N	411.399	3.783	10	20	HHCD	
CCC1(CC)[C@@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@H]1OC	766878798	HGSBBLBEFNAISD-LEWJYISDSA-N	421.557	3.522	10	20	HHCD	
COC[C@@H]1CCCCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	767948424	NGTWAJQWBABUEW-DLBZAZTESA-N	420.509	3.538	10	20	HHCD	
C[C@]1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO[C@H]1C1CC1	767956112	RKXLYOHYQLGHMD-SIKLNZKXSA-N	423.504	3.761	10	20	HHCD	
COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cccc(Br)c1O	769525397	HOTRSTXOHRWQKN-HNNXBMFYSA-N	418.209	3.918	10	20	HHCD	
O=S1(=O)CCN(c2cccc(NCc3cc(-c4ccccc4)ccc3O)c2)CC1	770541432	WZGHQUAZQKJBPO-UHFFFAOYSA-N	408.523	3.906	10	20	HHCD	
CC[C@H](C)CCCCc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	771056023	KHDMVYADBXYZGQ-SFHVURJKSA-N	414.550	3.728	10	20	HHCD	
COc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1F	771248836	OIOWPXMXBKBVAZ-KBPBESRZSA-N	405.445	3.909	10	20	HHCD	
O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc([C@@H]2CCCOC2)no1	771604517	ZRRFBQSLEKSNFF-XTCQQWIJSA-N	421.569	3.859	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CCN1C(=O)OC(C)(C)C	772476339	DTIJBHQEFXPGJD-WBVHZDCISA-N	417.550	3.858	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1	772688440	OLMPSRFVPSWYNW-DHIUTWEWSA-N	421.545	3.839	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1	775373085	MGUAALLAZAPSGV-INIZCTEOSA-N	419.481	3.942	10	20	HHCD	
CS(=O)(=O)c1ccc(NC(=O)NCCCSc2nccs2)cc1C(F)F	776036471	UJSIPJMOALDHEO-UHFFFAOYSA-N	421.516	3.788	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc2NC1=O	776155418	DIFHTVDGSFBVST-SXGZJXTBSA-N	410.518	3.984	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCc4c(ncn4-c4ccccc4)C3)ccc21	779342994	QOMWZEDVQVIWHC-UHFFFAOYSA-N	401.514	3.523	10	20	HHCD	
COC(=O)c1csc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1	783484632	FUQHZXJUQORSPB-AWEZNQCLSA-N	423.494	3.850	10	20	HHCD	
COc1cccc(C2=NO[C@@H](C(=O)Nc3c(-c4ccccn4)nc4ccccn34)C2)c1	791627569	DZJHSBSCZQYEEY-LJQANCHMSA-N	413.437	3.537	10	20	HHCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](c2cccc(C(F)(F)F)c2)O1	793704530	RGWXISFADGAFAL-OACQNMCBSA-N	409.404	3.799	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c(O)c1	794387870	NZIPKYDTMFELGO-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2	797722526	UPMVTYMATVPHEY-QFIPXVFZSA-N	422.525	3.973	10	20	HHCD	
Cc1ccc([C@H](NCc2cc(Br)ccc2O)[C@H](C)S(C)(=O)=O)cc1	798088718	SHFJTGCDMHTJRO-SCLBCKFNSA-N	412.349	3.727	10	20	HHCD	
Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	800628866	CHTSOHDQSFPMML-UHFFFAOYSA-N	414.437	3.786	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O	801637143	AQWYZYHOQWKNSD-UHFFFAOYSA-N	408.495	3.910	10	20	HHCD	
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	803653583	PZOLXYIGQCFPBL-PXNSSMCTSA-N	405.498	3.639	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cnc(-c2ccccc2)nc1	805134662	FTCKOFIHEUJVNS-UHFFFAOYSA-N	410.282	3.635	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(C(N)=O)c(Cl)n3)cc2Cl)C1	807476242	BTANAXJPJBZIQV-LBPRGKRZSA-N	421.328	3.654	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)Nc1ccc(C2(O)COC2)cc1	807533298	KKXAIPDFGQYHMF-UHFFFAOYSA-N	416.437	3.897	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)CSc1ccc(C)cc1	807688393	QSVKZZJEDAUPOH-KRWDZBQOSA-N	400.544	3.736	10	20	HHCD	
CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	809735420	GKGCBLBXVVZBQA-GOSISDBHSA-N	404.898	3.835	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(C(=O)OCc3ccccc3)cc2)c1O	811513911	VPSTVOLMUYMQOB-UHFFFAOYSA-N	422.437	3.956	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)c1	815017562	OLHWXRUNEDPYDV-GFCCVEGCSA-N	406.891	3.950	10	20	HHCD	
O=C(NCCCN1CCc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	916456273	BIIJLPJPZZIULO-NRFANRHFSA-N	409.530	3.536	10	20	HHCD	
C[C@H]1CCCCN1CCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	916505403	YQEZJDNNZLWENH-PZJWPPBQSA-N	403.567	3.737	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2cccnc2OC(C)C)c(C)n1-c1ccccc1	918250316	NKGXGZXWJKZRCE-UHFFFAOYSA-N	420.513	3.574	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OC(F)(F)F)cc1	919970468	FDVGSRUMZXCVNF-UHFFFAOYSA-N	412.383	3.615	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c(C)n1-c1ccccn1	921077253	GVIMJOHBLYATNZ-GOSISDBHSA-N	403.404	3.971	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(OCC2CC2)nc1	1115968369	CNTXGKTWZLEOQB-UHFFFAOYSA-N	417.456	3.871	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCCCN2C(=O)NC(C)(C)C2=O)c1	1317939039	HIRMUJYSVWXYOI-UHFFFAOYSA-N	417.893	3.625	10	20	HHCD	
CCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(C)cc1	23110007	WPZZQCUARNGUIS-UHFFFAOYSA-N	418.541	3.852	10	20	HHCD	
CSc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1	727227143	HHWRVXCUIICFTN-UHFFFAOYSA-N	412.559	3.827	10	20	HHCD	
Cc1ccccc1[C@@]1(C)NC(=O)N(CN(Cc2ccc(N(C)C)cc2)C(C)C)C1=O	728043731	INDSCABWGTXZSU-XMMPIXPASA-N	408.546	3.696	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c1C	731298685	KLNQDIVHFNPVFX-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1	734069436	LCYBTIJKASAZKS-QGZVFWFLSA-N	421.900	3.657	10	20	HHCD	
CC1(C)CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCO1	735256454	OGORZSCJELCCDB-QINSGFPZSA-N	424.613	3.757	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cc(Br)ccc3F)c2)CC1	739775756	ZYVJTXCPTSDFNF-UHFFFAOYSA-N	420.282	3.542	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	740848645	XWBWCCJYPQRUCA-WMZOPIPTSA-N	408.951	3.833	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H](CNC(C)=O)C3)c2C)cc1	742615647	VSMSYFPESMFUGD-HXUWFJFHSA-N	411.546	3.524	10	20	HHCD	
CCOCCOc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1	742654869	PTZYKLQIYCFPPC-UHFFFAOYSA-N	418.559	3.571	10	20	HHCD	
COCCOc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742797556	FPGRKNHSUWKMNS-KRWDZBQOSA-N	420.456	3.712	10	20	HHCD	
COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742799849	DAMMKXGHHLXOLK-ZDUSSCGKSA-N	421.400	3.604	10	20	HHCD	
CO[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743557732	LJYJFWBOOSRUEL-PXNSSMCTSA-N	419.472	3.944	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl	743958005	HAHOYFXHYSTORA-UHFFFAOYSA-N	402.878	3.578	10	20	HHCD	
CSc1nc(C(C)C)nc(C)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	747201456	DWEMWBFBSVAXGI-UHFFFAOYSA-N	414.575	3.739	10	20	HHCD	
CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)s4)cs3)ccc21	747849109	WEVAMPNJTPFGDS-UHFFFAOYSA-N	419.553	3.890	10	20	HHCD	
COc1ccc(CCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1	748357479	FTTPLDNDGBGPBQ-GZTJUZNOSA-N	416.480	3.753	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1ccc(N2CCOCC2)cc1	749415433	JJCMMSNOAXJLOQ-GOSISDBHSA-N	401.551	3.717	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N(CC)CC)c(F)c1)c1nnc2n1CCCCC2	749570344	YJHIFIKNQJZOAM-SFHVURJKSA-N	416.545	3.940	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)c2C)c1	750131615	FYMVNKFRNOIXLU-FQEVSTJZSA-N	422.525	3.777	10	20	HHCD	
Cc1nc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nn1-c1ccc(F)cc1	751301454	DBVBWVTWNTWGEL-UHFFFAOYSA-N	413.416	3.677	10	20	HHCD	
COC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1	751360670	OHVSFWFIQLZUJY-UHFFFAOYSA-N	423.918	3.966	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(C)c(NC(C)=O)c3C)CC2)cc1F	753881340	LHGXCPPWNYLKML-UHFFFAOYSA-N	414.481	3.764	10	20	HHCD	
Cc1cc(C(=O)NCCCO[C@@H]2CCOC2)c(C)n1-c1ccc(Br)cc1	756991916	ZKWOIUBDBOFIEH-GOSISDBHSA-N	421.335	3.782	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)c(C)n1-c1ccccn1	758541471	GKADNDPWFVVVTI-KRWDZBQOSA-N	409.511	3.665	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](C)S(=O)(=O)CC2)c(C)n1-c1ccc(C(C)C)cc1	760795482	XYOKWASMQOQRLH-KRWDZBQOSA-N	402.560	3.867	10	20	HHCD	
CCOCCC1(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCC1	760811993	CPIOINLMSDYPCE-UHFFFAOYSA-N	421.557	3.573	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc([C@H]2CCOC2)c1	761981051	MFARWAWMSFXARY-RXVVDRJESA-N	414.933	3.944	10	20	HHCD	
CCC1(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCCC1	763013726	JIHKQIAQSLNCDU-LJQANCHMSA-N	400.567	3.548	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2	765288639	ZCAJCEQHQLJDSQ-KRWDZBQOSA-N	407.558	3.976	10	20	HHCD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2cccc(Br)c2O)c1	765726640	IFPCEEMRKLMSDF-UKRRQHHQSA-N	406.276	3.592	10	20	HHCD	
CC(C)n1cc2c(n1)[C@H](NC(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CCC2	765923286	JMEHITLJNXGSOV-OAQYLSRUSA-N	411.550	3.520	10	20	HHCD	
O=S(=O)(NCc1cccc(Br)c1O)c1ccc(C(F)(F)F)cc1	766199836	JSOBYIGENYUFMZ-UHFFFAOYSA-N	410.211	3.652	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(-n2cnnn2)c1	766236441	DJFOBRYSIHOJBI-NVXWUHKLSA-N	414.460	3.583	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CO)c2ccc(Br)cc2)c1O	767427421	ZWSQFNVXBYXOAF-ZDUSSCGKSA-N	401.644	3.540	10	20	HHCD	
O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2cccc(Br)c2O)CC1	768318440	LSJLRSKREMJBRX-UHFFFAOYSA-N	423.738	3.695	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3c(O)cccc3Cl)C2)cc1	769302252	QJFVZODHUSVFAG-INIZCTEOSA-N	408.951	3.545	10	20	HHCD	
Cc1noc(C(F)(F)F)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771059408	QSBIZSAPZPXGBU-ZDUSSCGKSA-N	417.815	3.755	10	20	HHCD	
COCCc1nc(C)c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	771374590	KSAPCVFGSGWCGX-AWEZNQCLSA-N	407.555	3.591	10	20	HHCD	
CC(C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C	771790483	CSWPMQBLNYGPII-UHFFFAOYSA-N	410.562	3.740	10	20	HHCD	
Cc1cccc(S(=O)(=O)NCCCSc2nccs2)c1Br	771953072	IEPFMYKDYNZPKW-UHFFFAOYSA-N	407.380	3.675	10	20	HHCD	
C[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(N2CCCCCC2)cc1	773096796	XXESIUFQUBXCOX-FXAWDEMLSA-N	422.616	3.614	10	20	HHCD	
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	773238710	WPXRLTCCLYKGMI-AXRVMRSRSA-N	421.557	3.832	10	20	HHCD	
O=C(c1ccccc1C(F)(F)F)N1CCC(NCc2cc([N+](=O)[O-])ccc2O)CC1	775318022	CUTYEFLAWSGECV-UHFFFAOYSA-N	423.391	3.714	10	20	HHCD	
Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)CC3	779020915	VQPPOCKXGQSPFS-UXHICEINSA-N	416.569	3.825	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779503146	IPARRZZHWJYRRY-KOEDOTQGSA-N	416.518	3.749	10	20	HHCD	
Cc1cc2c(cc1NC(=O)C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)OCO2	781466261	MLVKEZVPNLHVRQ-UHFFFAOYSA-N	423.513	3.748	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(C(F)(F)F)cc1	785606385	SHQGBANTCAGHFJ-UHFFFAOYSA-N	421.463	3.825	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C=C(\C)c3ccccc3Cl)cc2)CC1	786256093	RTPUBRJYZBHSQX-BMRADRMJSA-N	411.933	3.728	10	20	HHCD	
CC(C)c1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1Cl	786622997	LLUONBIPKOXFHN-UHFFFAOYSA-N	406.935	3.951	10	20	HHCD	
COC(=O)c1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(C)cc1C	788336647	AVFGLFLLILBBNY-UHFFFAOYSA-N	423.513	3.834	10	20	HHCD	
COc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788931235	ZFGKOCJDNGZHIG-QFIPXVFZSA-N	423.557	3.815	10	20	HHCD	
Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c(C)c1[N+](=O)[O-]	790636165	ZGLFHCVFRNASSQ-UHFFFAOYSA-N	420.447	3.521	10	20	HHCD	
COc1ccc(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)c(O)c1	792806364	TZFJLBUOIYMIDB-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
COc1ccc(CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)c(O)c1	795357345	CWZLXCCNAQYDOB-UHFFFAOYSA-N	422.300	3.795	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2Cl)C1	800571002	CSXJYRBZPICMOI-CYBMUJFWSA-N	402.882	3.997	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C	801599264	HUIOOCFYEZFSEF-LJQANCHMSA-N	411.546	3.755	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ncc(COC)s1	806609534	CJXSVWVTGUAMDH-UHFFFAOYSA-N	400.298	3.812	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)c1ccc(N(C)C)cc1	807672360	YBJTYQCVDJYCIC-KRWDZBQOSA-N	418.541	3.817	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1O	808677275	SVRFWGDHGFPPCL-INIZCTEOSA-N	401.938	3.592	10	20	HHCD	
CC(C)CSCCCNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	808869923	PHPAWZLTFBEJOV-UHFFFAOYSA-N	405.608	3.531	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1	812277420	VLOMHHKPNMNLQJ-CQSZACIVSA-N	413.465	3.686	10	20	HHCD	
Cc1cccc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)c1	812393862	JPOVHTKCHLGNNJ-SFHVURJKSA-N	408.502	3.544	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cc1	813789338	PWWIWBVXTGRMTK-MZLICYQSSA-N	411.546	3.999	10	20	HHCD	
C[C@@](O)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Cl)cc1	815257086	FHEJGTIWXLOEKZ-NRFANRHFSA-N	424.875	3.934	10	20	HHCD	
Cc1cc(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccn1	914614188	ULRYVKQMOIVRFB-UHFFFAOYSA-N	417.465	3.722	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C	917916695	AESDOIRMPSYVNP-IAGOWNOFSA-N	406.523	3.535	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCSc2c(F)cccc21	918209780	IFXQJKYNOSSRAT-GOSISDBHSA-N	419.497	3.838	10	20	HHCD	
COc1ccc(C)cc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	918211637	RBRGQDAHHSFVTC-CALCHBBNSA-N	415.509	3.756	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)cc1	920343574	URYAMMJNJXXUCD-UHFFFAOYSA-N	422.529	3.846	10	20	HHCD	
Cc1nn(C(F)F)c(C)c1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	920878308	DUSDWZJNCNJWEU-CHWSQXEVSA-N	424.467	3.507	10	20	HHCD	
CC(C)[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1C[C@H](C)O[C@H](C)C1	921202831	HADSEOSYHYTXRS-ZRCGQRJVSA-N	401.595	3.769	10	20	HHCD	
Cc1ocnc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1845398892	OTEWWOWNWUQKCK-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cn2cccn2)c(C)n1-c1cccc(C(F)(F)F)c1	11117486	INWNBJVXVZFJPZ-UHFFFAOYSA-N	405.376	3.736	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCc3cnn(-c4ccccc4)c3)CC2)cc1	110362652	JBSYOKSIVSJRBB-UHFFFAOYSA-N	404.514	3.599	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1	195700713	WQTDAQIMEKNTBR-UHFFFAOYSA-N	415.342	3.903	10	20	HHCD	
O=C(/C=C\c1ccc2c(c1)OCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566187	JULMRQJIRCDNHZ-WAPJZHGLSA-N	416.424	3.815	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)C(C)(C)CO)c(C)n1-c1ccc(OC(F)F)cc1	726667672	KXJGBIFKOMLTFE-AWEZNQCLSA-N	409.429	3.828	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C)cc3Cl)n2)c[nH]1	727248017	ZTABAASDKRZSDG-UHFFFAOYSA-N	411.892	3.687	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cc(OC)cc4c3O[C@@H](C)C4)SC2=S)cn1	727860984	LYGQISBSUKSIQD-AXLKIAQESA-N	401.513	3.641	10	20	HHCD	
CCCCN(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	730679958	GWIVLFDCOKKABB-UHFFFAOYSA-N	408.546	3.778	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)cc2)CC1	731016327	HEJBVJLZIVRCNQ-WOJBJXKFSA-N	422.573	3.862	10	20	HHCD	
COc1cccc(C2(CNC(=O)NCc3ccc(N4CCOCC4)cc3)CCCC2)c1	731048255	UVYCDMTUHPXXBS-UHFFFAOYSA-N	423.557	3.843	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C	734644019	KKCYADZXGCSKKG-UHFFFAOYSA-N	422.451	3.983	10	20	HHCD	
O=C(c1nc(N2CCCC2)ncc1Cl)N(Cc1ccco1)Cc1ccccc1O	735927374	QJFFVQHIVKGCJA-UHFFFAOYSA-N	412.877	3.871	10	20	HHCD	
CCn1c(O)nc2cc(C(=O)Nc3cccc(N4CCC(C)CC4)c3)ccc2c1=O	739601866	CIJAEGHPFYFFTI-UHFFFAOYSA-N	406.486	3.611	10	20	HHCD	
CC(C)(C)c1ncc(/C=C/C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1	742556844	LTAANIJEZJBNRY-FNORWQNLSA-N	403.523	3.746	10	20	HHCD	
O=C(C[C@@H]1OC(=O)c2ccccc21)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742804984	DFDXHSLNPMOCCC-LIRRHRJNSA-N	416.424	3.675	10	20	HHCD	
CC(=O)c1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742807208	XZNOUQSGMFUONF-GOSISDBHSA-N	402.441	3.818	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(F)c(Br)c3)CC2)cc1	743229929	QDANWHQXQUZIKD-UHFFFAOYSA-N	408.271	3.951	10	20	HHCD	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC(C)C)cc1	746169918	GFWHEDWABDVHSR-UHFFFAOYSA-N	409.530	3.601	10	20	HHCD	
COCCN(CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccc(OC)c(OC)c1	746478054	MKXQWKJFIYXVQV-HNNXBMFYSA-N	422.472	3.654	10	20	HHCD	
CC[C@](C)(NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(F)(F)F	746481788	HPUZHRZWZGYLBW-FQEVSTJZSA-N	404.388	3.721	10	20	HHCD	
Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1O	748346703	UNHBXHSMQWROFF-UHFFFAOYSA-N	414.458	3.571	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CCCOc2ccccc21	749932163	SBIPNDQMNQIJJP-JOCHJYFZSA-N	409.530	3.608	10	20	HHCD	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2cccnc12	751137797	XEWIPVUMRVOQEZ-GOSISDBHSA-N	412.511	3.619	10	20	HHCD	
COCCN(Cc1ccn(-c2c(F)cccc2F)n1)c1ccc(OC)c(OC)c1	752018822	FZLROOJBSGUJMB-UHFFFAOYSA-N	403.429	3.821	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCCCSc2nccs2)cc(C(F)(F)F)c1	753847393	PZAWCFSAKOKVHB-UHFFFAOYSA-N	403.451	3.707	10	20	HHCD	
Cc1cccc(NC(=O)NCCCSc2nccs2)c1C(=O)N1CCCC1	753943368	LNUNGRBKNSSGKZ-UHFFFAOYSA-N	404.561	3.991	10	20	HHCD	
O=C(CCN1C(=O)CCc2ccccc21)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754552749	RFQMSKSXOZBDIU-UHFFFAOYSA-N	424.456	3.770	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)Cc2cc(Br)ccc2F)c1	755068639	XLMASCUULNSZOU-LLVKDONJSA-N	411.271	3.733	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(c4ncccc4F)C3)cc2)CC1	755156840	SJIAVYNGHYKDSD-LJQANCHMSA-N	411.525	3.535	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnc(Cc4ccccc4)s3)CC2)cc1F	755454376	RGLNCIUZGHNPDP-UHFFFAOYSA-N	411.502	3.844	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1	756179493	GMYLQAZLGPJJHC-UHFFFAOYSA-N	424.726	3.732	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1	756456023	LNTGVOKNSJXSER-WCQYABFASA-N	414.285	3.576	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)cc1	756458699	JZSUKMLVXJPFSA-KSSFIOAISA-N	406.523	3.697	10	20	HHCD	
CN(C)c1ccc(CN2C(=O)CN(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1F	761184121	UUSHTUPPLKMPHW-UHFFFAOYSA-N	409.383	3.875	10	20	HHCD	
CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C12CCC2	764353109	KYTKDYYKDDULEW-LEWJYISDSA-N	401.551	3.653	10	20	HHCD	
Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765981525	WFUNWTPGAXRSFZ-OAHLLOKOSA-N	421.632	3.835	10	20	HHCD	
C[C@H](NC(=O)c1ccccc1COC1CCOCC1)c1ccc(N2CCOCC2)cc1	767898027	BULOJPSHGHGXBU-IBGZPJMESA-N	424.541	3.710	10	20	HHCD	
C[C@@H](NS(=O)(=O)/C=C\c1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1	768811368	DHDOEKKYNNTMRJ-IHWMJMDHSA-N	406.935	3.828	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccn(-c2ccccc2Cl)n1	769010937	XBKHVXCRHKAMCL-UHFFFAOYSA-N	411.893	3.684	10	20	HHCD	
Cc1cccc([C@H](O)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	769094948	MOSXGLVQCDLHQO-HXUWFJFHSA-N	419.472	3.598	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2cc(Cl)ccc2O)C(C)C)cc1	769349677	CHGRHJLKYJWBAA-LJQANCHMSA-N	406.910	3.654	10	20	HHCD	
C[C@H](NC(=O)c1cccc(F)c1I)c1ccc(N(C)C)cc1	772996395	DPBXNUJSQKKAIJ-NSHDSACASA-N	412.246	3.987	10	20	HHCD	
CC1CCN(c2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2[N+](=O)[O-])CC1	773749600	RGAQHGGYTWRNIR-OAHLLOKOSA-N	413.474	3.603	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	773768128	BKLKKMGREFFHJO-HNNXBMFYSA-N	421.453	3.979	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(C(F)(F)F)c1	774800582	COPHNXWPSUZCCP-UHFFFAOYSA-N	408.420	3.856	10	20	HHCD	
COc1cc(-c2noc(CN[C@H](C)c3ccc(N4CCOCC4)cc3)n2)ccc1C	775257006	CNCXGKXIGOYQSD-QGZVFWFLSA-N	408.502	3.741	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1	775376033	RHQXWIHUQVIPTA-ZDUSSCGKSA-N	415.490	3.877	10	20	HHCD	
CCN1CCC(N(C)Cc2cc(Br)cc(Br)c2O)CC1	775648488	VLQBHDCPDLAJLW-UHFFFAOYSA-N	406.162	3.833	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)N2CCCC2)c1	776099695	CWDDTDFKAIHTAK-WZONZLPQSA-N	410.562	3.959	10	20	HHCD	
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	776258161	UGFZSLHWNBVWSL-OAQYLSRUSA-N	414.521	3.705	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2	779544040	ZRGWIIBYIWPLAM-QMZSEIADSA-N	415.436	3.516	10	20	HHCD	
CCN(CC)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cn1	784058137	MAVGZTHBMXTJAT-UHFFFAOYSA-N	409.534	3.814	10	20	HHCD	
Cc1ccnc(-n2nc(C)cc2NC(=O)NCc2cccc(Br)c2O)c1	786092147	MMGAMIICWCDXAQ-UHFFFAOYSA-N	416.279	3.674	10	20	HHCD	
Cc1ccc(CNCc2cc(Br)ccc2O)c(-n2cc(Cl)cn2)n1	786823795	PTACOIHSKGOIMC-UHFFFAOYSA-N	407.699	3.987	10	20	HHCD	
CCC1(CC)Oc2ccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)cc2O1	787882516	OAXRQPHTNITWJC-UHFFFAOYSA-N	423.513	3.611	10	20	HHCD	
COc1ccc(F)c(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1OC	788173768	WEZOLQPXBYNSRU-UHFFFAOYSA-N	413.493	3.627	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(Cl)nc3C)cc2F)CC1	788807606	TWCKAAWYOUPYDD-UHFFFAOYSA-N	405.905	3.646	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc(Br)cc1N1CCOCC1	789476745	FAIDXBGZTIEQEP-UHFFFAOYSA-N	418.379	3.984	10	20	HHCD	
CC(C)N(C)c1ccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)cn1	790108813	VYERXBOZKKFHIM-YBEGLDIGSA-N	406.621	3.715	10	20	HHCD	
CN(C)c1ccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c(C(F)(F)F)c1	793083110	XQBOSTYOCZRECB-SFHVURJKSA-N	400.466	3.647	10	20	HHCD	
CCn1ncc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1C(F)(F)F	799237898	OPOYLAFXTOXKTM-UHFFFAOYSA-N	411.428	3.721	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2(c3ccc(I)cc3)CC2)cc1	799863566	XJVVPSKYASJZLS-UHFFFAOYSA-N	420.294	3.705	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)NC(=O)c3ccoc3)cc2Cl)C1	800345029	ZWTYKVMJJQQEHC-LSDHHAIUSA-N	403.910	3.604	10	20	HHCD	
CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1	801852601	AMMPDDNTADVPLB-UHFFFAOYSA-N	420.492	3.921	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	805019693	JJVHPKNEKJILEC-UHFFFAOYSA-N	418.321	3.898	10	20	HHCD	
CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)NCCCSc1nccs1	806279548	RRLGUEAWZQDVCK-UHFFFAOYSA-N	413.568	3.943	10	20	HHCD	
Cn1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C(F)F)n1	812746464	BECCCTSEYCBQAW-UHFFFAOYSA-N	404.383	3.503	10	20	HHCD	
Cc1cccc(/C=C2\SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)c1	814274576	SJNUAGNYLINWCO-BOPFTXTBSA-N	418.565	3.651	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\CN(C)CC(F)(F)F	815797596	WXKAFYSSWCFBQV-PLNGDYQASA-N	409.246	3.554	10	20	HHCD	
COc1ccc(CCC(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)cc1	816497013	JFDRAPIPBSYTNO-UHFFFAOYSA-N	404.510	3.831	10	20	HHCD	
CC[C@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	857758618	ODADTAHHDGIFFM-QFIPXVFZSA-N	415.965	3.876	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)n2)cc1C	914789560	ILRBSLKAQLAVDM-UHFFFAOYSA-N	401.513	3.635	10	20	HHCD	
CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	915729645	RNAHYDGFDUOFKW-OAQYLSRUSA-N	423.517	3.514	10	20	HHCD	
C[C@H](c1ccccc1)n1cnn(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=S	917421536	XJFHNPZPQFNODX-LJQANCHMSA-N	423.586	3.949	10	20	HHCD	
O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1c[nH]c(C(F)(F)F)c1	1261208658	BEKGODLOFCFGST-UHFFFAOYSA-N	401.391	3.850	10	20	HHCD	
COc1cccc2cc(CNC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)oc12	1318283176	IKWRPIQJYFKFNQ-MRXNPFEDSA-N	409.486	3.838	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cnn(Cc2cccnc2)c1	1318906313	KMUZZRYZFOANIF-UHFFFAOYSA-N	404.518	3.981	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1	1337826476	MRZPIFFMJMGWFV-HKBOAZHASA-N	419.477	3.645	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccno2)C3)cc1	1800513757	SISZAQHAMWDBDH-NUZGMZIFSA-N	418.497	3.648	10	20	HHCD	
CCCNC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	65455345	WNTBUKWAMCLBDH-KRWDZBQOSA-N	410.518	3.546	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccccc3)cc2F)C[C@@H](C)O1	108455767	RLDVIYAWDMXGEV-IYBDPMFKSA-N	408.477	3.759	10	20	HHCD	
CN(C)c1ccc(CNS(=O)(=O)c2cc(Br)ccc2Cl)cc1F	303125902	AXIKPDRGZIBXBT-UHFFFAOYSA-N	421.719	3.786	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCCn4nc(C(C)C)nc43)ccc21	446560213	NQIPDIPYERRLKU-IBGZPJMESA-N	409.534	3.884	10	20	HHCD	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)NC2=S)cc1C	727435583	SCJAGGWMCJQBSA-CPNJWEJPSA-N	411.502	3.541	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1	728219651	NRSNTODRVTXHPX-UHFFFAOYSA-N	400.435	3.930	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(Br)c(F)cc2F)cc1	728578469	GBCVXMZJKJWPOG-UHFFFAOYSA-N	419.291	3.614	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)c3nnnn3-c3ccccc3)ccc21	728640272	WSTGJCKOPYQWGO-QGZVFWFLSA-N	419.485	3.798	10	20	HHCD	
Cc1cc(CC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c(C)n1-c1ccc(Cl)cc1	729447276	VTCNCNMQYSPUKS-IAGOWNOFSA-N	403.954	3.515	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@]3(O)CCCc4ccccc43)ccc21	731370140	MUWWCNJNHDNTAX-VWLOTQADSA-N	406.526	3.858	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(N3CCSCC3)CCCCC2)c1	732702932	DOIOONBQLXAGFV-MRXNPFEDSA-N	407.580	3.513	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3ccc(F)cc3Cl)CC2)cc1	733353884	SXZSEQJONXGYHW-UHFFFAOYSA-N	405.901	3.952	10	20	HHCD	
CC(C)c1cnc(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)o1	733385001	APOALRGWSNVQKI-UHFFFAOYSA-N	420.377	3.839	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)oc1C	735328964	HGFYALSGQRKKBO-CHHVJCJISA-N	403.437	3.509	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(Oc2cnccn2)c1	736548222	JRSXKUMKKPWYHE-UHFFFAOYSA-N	406.511	3.752	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@H](CN2CCCC2)C1	740512702	KGQSGLWMYYOVHD-GOSISDBHSA-N	405.502	3.985	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](O)c1c(Cl)cccc1Cl	740919687	HHIIFEZPVMETBE-SFHVURJKSA-N	406.313	3.902	10	20	HHCD	
CCN(CC)c1ccc(CN(C)Cc2nnc3n(CC)c(=O)c4ccccc4n23)cc1	741677845	DBHBVTMKJLIXCQ-UHFFFAOYSA-N	418.545	3.542	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)CCC[C@@H]3C)cc2F)C[C@@H](C)O1	741796202	XASGQCTZKJUXCK-HCXYKTFWSA-N	405.558	3.566	10	20	HHCD	
COc1ccc(C)cc1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801719	SEMKWFATAYOPPJ-KRWDZBQOSA-N	404.457	3.933	10	20	HHCD	
C[C@H](NC(=O)OCc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	743429827	BDVZLTKLWPDBMS-KRWDZBQOSA-N	408.454	3.829	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1	755174980	QEOHDDQHFTWNIS-QGZVFWFLSA-N	420.550	3.739	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@@]12CCCO2	759407747	BENXZKNWULSXCR-MZKRTTBSSA-N	422.485	3.883	10	20	HHCD	
COc1ccc2c(c1)[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)CC2	761665016	SGVGISQJNYEUSZ-DHIUTWEWSA-N	408.542	3.999	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CSc1nncn1-c1ccc(OC)cc1	761749834	ICHFPRMJFVSDEQ-UHFFFAOYSA-N	412.515	3.512	10	20	HHCD	
COCc1nc(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n[nH]1	761868349	XULMEDSBJMMOQB-UHFFFAOYSA-N	422.457	3.935	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C	762761136	NGDSMPGHLOGYEA-BDTNDASRSA-N	417.594	3.955	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(Cl)c1F	763537548	GWLHZNAMBVNWMM-IBGZPJMESA-N	410.942	3.955	10	20	HHCD	
O=C(NCCCCOCCc1ccccc1)NCc1cccc(Br)c1O	764764426	PTBLIBDLOIDNMQ-UHFFFAOYSA-N	421.335	3.993	10	20	HHCD	
O=C(NCCc1nc(C(F)(F)F)cs1)NCc1cccc(Br)c1O	764792654	XFIHAGRFAAWENV-UHFFFAOYSA-N	424.242	3.672	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCO[C@H](c2ccccc2)C1	765230708	SHTVBFLYWDGGAE-IRLDBZIGSA-N	411.571	3.959	10	20	HHCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)NCc2ccco2)cc1	765607338	ATNRGJGNFRNLCI-INIZCTEOSA-N	412.511	3.544	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCCCN1C1CC1	765665314	ARWCWTUSDUWHSI-KRWDZBQOSA-N	410.356	3.703	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(-c2ccncc2)cc1	765978219	MLNYEYMRYTWHOT-IBGZPJMESA-N	421.566	3.834	10	20	HHCD	
O=[N+]([O-])c1cccc(-c2ncn(CN3CCCc4cc(OC(F)F)ccc43)n2)c1	766352505	UDJANANELVZKAN-UHFFFAOYSA-N	401.373	3.865	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c(C)n1-c1cccc(F)c1	766953696	OGVHYFPXYUVRLE-REWPJTCUSA-N	424.520	3.738	10	20	HHCD	
Cc1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)cc1NC(=O)CCN(C)C	767194704	LYIHGSCMOXKOLD-UHFFFAOYSA-N	406.870	3.765	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1OC	768443553	GJYQZZGLFMZAGN-OAHLLOKOSA-N	413.449	3.978	10	20	HHCD	
COc1ccc(N2CCCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)cc1	768522278	JCOZBSULDHMCMF-UHFFFAOYSA-N	401.514	3.753	10	20	HHCD	
CCOc1ccc(CN(C)[C@@H](C(=O)OC)c2cccc(Br)c2)c(O)c1	770381490	RVFCEEQTFRSYMP-GOSISDBHSA-N	408.292	3.900	10	20	HHCD	
C[C@H](NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1	772777847	YFUUAXSTWQMCIY-KTROKBFUSA-N	410.253	3.838	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773615349	WGMLGHZVLHTKKS-CQSZACIVSA-N	418.925	3.804	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1O	773625622	RKLLJEKAEKCLEC-UHFFFAOYSA-N	406.498	3.957	10	20	HHCD	
O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	779000157	QQZXYCNPHNGPHF-GFCCVEGCSA-N	408.271	3.540	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC(C)(C)CC(F)(F)F)cc2F)C[C@@H](C)O1	780313783	YNCUOXCBWTUNFW-BETUJISGSA-N	405.436	3.970	10	20	HHCD	
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1	781371965	LDCWVNUIJLPIMS-NRFANRHFSA-N	411.550	3.690	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)cc1	782196514	ABXYSIWMXRTSHE-UHFFFAOYSA-N	414.918	3.784	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-]	785411649	OBQJDOHOQZWRJK-UHFFFAOYSA-N	423.416	3.933	10	20	HHCD	
Cc1ccnc(-n2nc(C)cc2NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	786090007	CWYALEVIYLUNGV-UHFFFAOYSA-N	422.558	3.759	10	20	HHCD	
Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)sc1Cl	788886641	UBICCEHERIVGSB-CYBMUJFWSA-N	400.953	3.586	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)NCC1(c2ccc(F)cc2)CCCC1	789756523	TYYSGDQRZCNVBC-UHFFFAOYSA-N	421.563	3.509	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1	789837989	IYFLBKQSXGOXMR-SUMNFNSASA-N	404.532	3.898	10	20	HHCD	
CCOc1ccc(CNCC2(COC)CCN(C(=O)OC(C)(C)C)CC2)c(O)c1	790651584	DWDMIHRFMGEUFY-UHFFFAOYSA-N	408.539	3.544	10	20	HHCD	
C[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)c1nnnn1C1CC1	791935133	ZARVDWMVHGUFJZ-CQSZACIVSA-N	404.478	3.980	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	792702138	NIKLQSZIFHSCFV-UHFFFAOYSA-N	419.278	3.586	10	20	HHCD	
CN(C)c1ccc(CNCCNc2nccc(C(F)(F)F)n2)c(C(F)(F)F)c1	792991941	MDVJVKLPSWGJQB-UHFFFAOYSA-N	407.362	3.782	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1	793538013	AFOFZXSNABISBO-KRWDZBQOSA-N	421.563	3.928	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1	793690963	ZDHWYVUXKCIKOR-WAIKUNEKSA-N	412.486	3.627	10	20	HHCD	
CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2cc(Cl)cc(Cl)c2O)s1	796530249	SJEFYSXWCNTNHQ-RKDXNWHRSA-N	403.335	3.866	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)c(O)c1	797761462	MIOSYFOUSVYDOT-IBGZPJMESA-N	400.475	3.591	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C2CCN(C(=O)[C@@H](C)CSC)CC2)cc1F	799415065	LVWCLQQRZVPHGX-INIZCTEOSA-N	423.598	3.526	10	20	HHCD	
Cc1cc(O)ccc1NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12	799920244	ASRMLHABTHQPPC-UHFFFAOYSA-N	416.684	3.565	10	20	HHCD	
COCC[C@]1(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCOC1	800720895	HWWLOIQCNGHKCX-KKSFZXQISA-N	409.958	3.571	10	20	HHCD	
CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	803305052	JDSYKOWPDFYMMD-WMZHIEFXSA-N	423.557	3.556	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2cccc(OC)c2O)c(C)cc1Br	806738846	PTNKNWATPBSSOM-UHFFFAOYSA-N	423.263	3.580	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(Cl)c1Cl	807121764	ISZBEWKVUGVTRK-CQSZACIVSA-N	418.324	3.863	10	20	HHCD	
Cc1ccc([C@H](C)CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	807243967	NCLPESJEWFYYAC-GOSISDBHSA-N	406.482	3.742	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1	807837145	CPLGANVGWNPFDR-JTQLQIEISA-N	415.223	3.647	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cncc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1	808281950	UKIWSCIICRRADS-CHWSQXEVSA-N	411.399	3.783	10	20	HHCD	
COc1cccc(CNCc2cc(Br)cc(Br)c2O)c1O	809740895	FEGPNKPNMKQGAX-UHFFFAOYSA-N	417.097	3.921	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC2(Cc3ccccc3Br)CC2)c1O	814178059	AIKOMLPGTTXPKR-UHFFFAOYSA-N	407.264	3.936	10	20	HHCD	
CC(C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC(O)CC1	857472628	MVMNFYCCMGGVSR-CUYAVPTFSA-N	408.970	3.704	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COc3ccc(S(N)(=O)=O)cc3)c2C)cc1C	915040638	CWMBZIOIHFWBLD-UHFFFAOYSA-N	412.511	3.620	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1	916649313	XHNUYNVYMSEOSF-UHFFFAOYSA-N	408.546	3.767	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2F)C[C@H](C)O1	917918819	SHOYXCNAAVXZCY-KBPBESRZSA-N	412.914	3.571	10	20	HHCD	
CCN(CC)Cc1ccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	918003708	NVLMXJSQVSZKOL-UHFFFAOYSA-N	424.589	3.959	10	20	HHCD	
Cc1cc(OCCCC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Cl	919766727	MQYATJRSCVNQQS-UHFFFAOYSA-N	402.922	3.960	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c[nH]c(Br)c1	1318781342	UTEZYXSMVCYQPH-UHFFFAOYSA-N	402.086	3.908	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)C3(c4ccc(OC)c(OC)c4)CCC3)CC2)cc1	1320105381	CLVXHGBCJRFJRI-UHFFFAOYSA-N	424.541	3.873	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)Cn3c(=O)oc4ccccc43)cc2Cl)C1	1322660656	STUGKNATALGUKK-HNNXBMFYSA-N	413.905	3.801	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3snnc3CC)c2C)cc1	7359701	AHFCVIPMVADLQD-UHFFFAOYSA-N	413.499	3.946	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1	18215260	QRSXGEDAOURLDC-UHFFFAOYSA-N	418.522	3.507	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1	110469245	QYUHOHJTDWCBKU-UHFFFAOYSA-N	415.342	3.949	10	20	HHCD	
Cn1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2ccncc2)n1	237786930	CHKXSTNSMNDLDK-SFHVURJKSA-N	413.472	3.842	10	20	HHCD	
O=[N+]([O-])c1cncc(Br)c1N1CC=C(c2c[nH]c3ncccc23)CC1	500274968	NFSRPHAJIKELHC-UHFFFAOYSA-N	400.236	3.922	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ncccc2Br)CC1	561318674	RGVVRDLDYZJLBB-UHFFFAOYSA-N	412.287	3.667	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F	727167928	CRUALMDHMVBBQM-KRWDZBQOSA-N	402.438	3.736	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4[nH]nc(C(=O)OC)c4c3)ccc21	728515538	OEPRFEKRPAIRHY-UHFFFAOYSA-N	420.469	3.820	10	20	HHCD	
CN(Cc1ccco1)C(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	731107925	WXBKCMMQIANJOJ-UHFFFAOYSA-N	413.518	3.716	10	20	HHCD	
Cc1cc(C(=O)CONC(=N)C2CCOCC2)c(C)n1-c1ccc(OC(F)F)cc1	732569137	CAYDGEPKBFAHEN-UHFFFAOYSA-N	421.444	3.803	10	20	HHCD	
CCOC(=O)CCN(C)C(=O)c1cc(C)n(-c2ccccc2Br)c1C	733164744	AQCDNVCSWWAAMG-UHFFFAOYSA-N	407.308	3.882	10	20	HHCD	
Cc1cc(C(=O)COC(=O)COC[C@H]2CCCO2)c(C)n1-c1ccc2c(c1)CCC2	733597207	YLTRHCSEINNOPF-OAQYLSRUSA-N	411.498	3.504	10	20	HHCD	
COC(=O)[C@H](C)CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	734369039	XLXSEITVOXSIIB-CYBMUJFWSA-N	403.500	3.590	10	20	HHCD	
COc1ccc(C(=O)CCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	735828654	HHWLLGLBVXXSRM-UHFFFAOYSA-N	424.541	3.573	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CCNC(=O)NCc3ccc(N4CC=CC4)cc3)cc2)n1	740906588	FAHQEFSMBLMAQD-UHFFFAOYSA-N	415.541	3.907	10	20	HHCD	
Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	743242325	QSXCNBWODLPWMR-QGZVFWFLSA-N	424.501	3.671	10	20	HHCD	
Cn1ccc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc21	743887604	MZQFNSIXUWGABP-UHFFFAOYSA-N	403.438	3.644	10	20	HHCD	
CO[C@H](CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(C)C	744688376	QLXHAUDHCWJZFZ-MKRLJBPISA-N	412.602	3.517	10	20	HHCD	
CO[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	745913291	WJXKRTKQTGKTEP-NRFANRHFSA-N	417.937	3.706	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1Br	746404605	MFPDYNAETVKXPK-XYOKQWHBSA-N	400.319	3.824	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N(CC(C)C)C3CCCC3)CC2)cc1	746940872	CHRDQPNPWGTYCB-UHFFFAOYSA-N	416.610	3.818	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)COc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1	747214281	XUXMFPICLYKUEG-IBGZPJMESA-N	400.425	3.542	10	20	HHCD	
C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1	749305201	HDBJSDCWVQYBMN-IMAIQDNJSA-N	411.332	3.580	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3C3CC3)CC2)cc1F	753745330	MCMXGRKSSWKUKC-UHFFFAOYSA-N	420.488	3.860	10	20	HHCD	
C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nccs1	754307926	LJGYDRPFWYNYKN-ZDUSSCGKSA-N	410.490	3.816	10	20	HHCD	
C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)cc1O	756602153	CLHZVTKQTQSVRV-VPWXQRGCSA-N	419.363	3.688	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1	756709938	QTTVRWSESBMVMI-PXAZEXFGSA-N	422.403	3.654	10	20	HHCD	
CCCCn1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1CC	758094968	ZQDDEXRPIZJRKM-IAGOWNOFSA-N	416.541	3.928	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cn(C)c(=O)c3ccccc23)cc1	758287742	XZWZJFQMUBVZKD-UHFFFAOYSA-N	417.431	3.809	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	758778913	NFFHXQHOERVJQE-MJGOQNOKSA-N	418.582	3.896	10	20	HHCD	
CCC[C@@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1	759224894	IWUPHJRFTKUMTA-HXUWFJFHSA-N	412.530	3.945	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1COc2ccc(Br)cc21	759618042	LBCLASIWBCZRQU-QGZVFWFLSA-N	402.288	3.826	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)[C@@]12CCCO2	760142348	KPKCLWJFUGQTDQ-XJUOHMSHSA-N	402.535	3.963	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(F)c(F)cc2I)cc1	760301066	UJQCCPAIYDBQDO-UHFFFAOYSA-N	416.209	3.565	10	20	HHCD	
Cc1ccc(Cl)c(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	762225593	KSDSSHRXFJGFEU-MRXNPFEDSA-N	400.910	3.672	10	20	HHCD	
CCCSc1nsc(NC(=O)NCc2ccc(N3CCSCC3)cc2)n1	762952120	LDFSOCMDIOMZJV-UHFFFAOYSA-N	409.606	3.915	10	20	HHCD	
CC(C)c1nc([C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n[nH]1	763035946	WEPGIJLFVJRLQC-ZIAGYGMSSA-N	422.480	3.559	10	20	HHCD	
COCC(=O)Nc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	764762952	PRTYMMSXUIFLRV-MRXNPFEDSA-N	417.937	3.612	10	20	HHCD	
O=[N+]([O-])c1cnc(NCc2cccc(Br)c2O)c(Br)c1	764933575	FKIWWKPZYQLXAG-UHFFFAOYSA-N	403.030	3.833	10	20	HHCD	
CCOc1cccc2c1OCC(C(=O)NCc1cccc(Br)c1O)=C2	765726625	IAKMFCBJWTZSJH-UHFFFAOYSA-N	404.260	3.646	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](CCO)C3CCCCC3)cc2F)C[C@@H](C)O1	766880404	ZXRYRMHACOYBJS-LZJOCLMNSA-N	421.557	3.570	10	20	HHCD	
COc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCSCC3)cc1)CCO2	767305337	PLTSBGQQORPLKA-FQEVSTJZSA-N	413.543	3.571	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3ccc(F)cc3Cl)cc2F)CC1	767961940	RWVIUVPHPSPPKG-UHFFFAOYSA-N	407.892	3.619	10	20	HHCD	
Oc1ccccc1CN(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@@H]1CCCO1	768162569	QOSXTYLANYAGLB-FQEVSTJZSA-N	421.497	3.735	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(OC)c3OC(F)F)c2)CC1	770145993	DNNSRFGILRUJIJ-UHFFFAOYSA-N	405.445	3.691	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1	770272890	KQDMUFDYEFLTLR-UHFFFAOYSA-N	413.493	3.776	10	20	HHCD	
C[C@@H](NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(N(C)C)cc1	773243215	LLYLGFCGYSKISN-HZPDHXFCSA-N	402.489	3.918	10	20	HHCD	
CCCCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	774707024	MPLGEWALGQKIIW-KURKYZTESA-N	421.557	3.531	10	20	HHCD	
C[C@@H](NC(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F)c1ccc(N(C)C)cc1	775408186	XPQSJOWULLDKCZ-GFCCVEGCSA-N	406.408	3.861	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Br	777130362	RHYWZAKIPXPUEE-UHFFFAOYSA-N	418.335	3.729	10	20	HHCD	
COc1ccc(-c2nc(CN3CCN(Cc4cc(F)ccc4O)CC3)cs2)cc1	778994859	PLALGWIZQLVCFV-UHFFFAOYSA-N	413.518	3.981	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)ccc3Br)c2)CC1	781270536	NCVQIWQQDYNSFQ-UHFFFAOYSA-N	416.319	3.678	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1NC(=O)c1ccccc1F	782886418	MKWRNQOHYVIJCL-UHFFFAOYSA-N	423.396	3.837	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1c[nH]c2cc(F)ccc12	786754302	QAWCTCQMLBWILZ-UHFFFAOYSA-N	411.477	3.500	10	20	HHCD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1	787328619	RUZNRFWFEXCLDX-DYESRHJHSA-N	409.530	3.668	10	20	HHCD	
COc1ccc(F)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1OC	788168116	AEGLQFPKZDGFBQ-ZIAGYGMSSA-N	420.456	3.526	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)n1cnc2ccccc21	791249697	YENSSUHLBOSEOS-QGZVFWFLSA-N	422.529	3.986	10	20	HHCD	
COC(=O)Cc1cccc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1	792409766	JPPGXLCGZUWUHO-UHFFFAOYSA-N	410.518	3.888	10	20	HHCD	
COCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCN(C(=O)OC(C)(C)C)CC1	793858276	YSQGGKPHLUFGOY-KRWDZBQOSA-N	419.566	3.594	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCc2ccccn2)c(F)c1	797632316	AOVQXHAAEOVRCI-AWEZNQCLSA-N	411.433	3.964	10	20	HHCD	
Cc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ccc1I	798351795	BMQDEWLVQBWINQ-UHFFFAOYSA-N	423.298	3.665	10	20	HHCD	
CC(C)n1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1	800636017	DHECWVSVYWLIFY-HNNXBMFYSA-N	417.941	3.609	10	20	HHCD	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	801569997	HVJBRUWTHAIBEZ-UHFFFAOYSA-N	415.446	3.526	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1sc(C)cc1C(=O)OCC	802610461	APRNFNUIRVZFNH-UHFFFAOYSA-N	418.515	3.706	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl	807103903	XFMLGBWPKXQBTR-CYBMUJFWSA-N	408.329	3.861	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	807513320	KUOOAMFFKXOJCZ-UHFFFAOYSA-N	418.620	3.516	10	20	HHCD	
COc1cccc(F)c1[C@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	807623077	WYBHGPSNFQCSJF-INIZCTEOSA-N	415.509	3.515	10	20	HHCD	
O=C(Nc1ccn2ccnc2c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	810229507	FUIZLIGKGPNEJS-OAHLLOKOSA-N	401.417	3.726	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F	810343828	UVNPMXMSTYCFIR-UHFFFAOYSA-N	421.444	3.969	10	20	HHCD	
Cc1ccoc1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	816983039	GDPXQYBPKCTXFW-XNTDXEJSSA-N	406.554	3.947	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Br)cc1	915300527	FUOUAUDINOZYSI-UHFFFAOYSA-N	404.308	3.950	10	20	HHCD	
CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	916438567	QBXBCINUSDEGGN-UGSOOPFHSA-N	407.436	3.823	10	20	HHCD	
CCCOc1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	918206077	ZKICLWSXEYJTIV-UHFFFAOYSA-N	411.546	3.684	10	20	HHCD	
C[C@@H](Cc1ccccc1Cl)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918215718	KEHFLKYMFJMVFT-HNNXBMFYSA-N	419.928	3.871	10	20	HHCD	
COc1ccc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	918222782	XDWCWBBRVMAEEK-IRXDYDNUSA-N	415.509	3.790	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1OC1CCCC1	918264425	CWXGICWHWGYCKV-UHFFFAOYSA-N	407.514	3.863	10	20	HHCD	
Cc1c(C)c(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1C	919730647	LGYWIHOKDUPMEH-UHFFFAOYSA-N	402.560	3.544	10	20	HHCD	
Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c(O)c1O	1116691148	CFWIGYYDAQXYGH-UHFFFAOYSA-N	404.507	3.660	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)c1	1117453776	ROKZHBANPRMXHX-IEBWSBKVSA-N	401.938	3.683	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3ccc4c(c3)CCO4)cc2F)C[C@@H](C)O1	1322457950	UXBBVPTZCQOGOY-CALCHBBNSA-N	412.505	3.623	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@@H]3C[C@H](C)c4c(C)ccc(O)c43)C2=O)c(OC)c1	1322711575	WNWXXXRCIIYQGJ-ZYSHUDEJSA-N	410.514	3.657	10	20	HHCD	
COc1cccc([C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	195604426	MNUACRSBSFLLAV-HNNXBMFYSA-N	422.447	3.971	10	20	HHCD	
CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	301486036	ZQCQOOILWPTDKD-ZDUSSCGKSA-N	420.416	3.637	10	20	HHCD	
CCN1CCN([C@@H](C)CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1	303632714	UGSBFHZMURIZCU-FQEVSTJZSA-N	410.606	3.973	10	20	HHCD	
CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)cc1	511871845	KHYBTQXEDPCXAO-UHFFFAOYSA-N	421.522	3.637	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)C1=S=CC=C1	522172292	OSAQEHXLVZVWLC-UHFFFAOYSA-N	401.831	3.717	10	20	HHCD	
O=C(Nc1ccc(C(=O)Nc2ccc(-c3nncs3)cc2)cc1)C1=S=CC=C1	537719493	BZLPIMAWQFGVQR-UHFFFAOYSA-N	406.492	3.674	10	20	HHCD	
O=C(NC1CCN(Cc2ccccn2)CC1)N(Cc1ccco1)Cc1ccccc1O	726088899	KKZUWJRUDWSZLS-UHFFFAOYSA-N	420.513	3.757	10	20	HHCD	
COc1cccc2cc(/C=C3\SC(=S)N(c4ccc(C(N)=O)cc4)C3=O)oc12	726626987	JCOUDHLUSQKRCS-YBEGLDIGSA-N	410.476	3.946	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3)SC2=S)cc1	726628640	ZTUSDXGCORNWDC-ZROIWOOFSA-N	406.435	3.793	10	20	HHCD	
C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1	727104581	OJIORLJCHKOCOS-CQSZACIVSA-N	409.313	3.914	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(-c3csc(C)n3)c2)c1	729062752	DJZQPFUWQCGLEV-GFCCVEGCSA-N	411.483	3.649	10	20	HHCD	
Cc1ncsc1CN(C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	731214706	WPCCKCXHJXRJSR-UHFFFAOYSA-N	411.527	3.945	10	20	HHCD	
Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc(N3CCOCC3)cc1)CCC2	732452895	NSNBRDBRSOENCZ-LJQANCHMSA-N	400.548	3.507	10	20	HHCD	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	733311601	WLBCQCYSYFNHMM-HOTGVXAUSA-N	402.520	3.794	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(-c2ccccc2)c1	742799469	YKQNTFDVUDAQAD-KRWDZBQOSA-N	412.440	3.873	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1	743974754	HAWZGEMTOYMJHD-INIZCTEOSA-N	417.456	3.629	10	20	HHCD	
CCN(CC(=O)Nc1cccc(C(C)=O)c1)Cc1cc(Br)ccc1O	744425383	FOHIZOTWHHZOGF-UHFFFAOYSA-N	405.292	3.818	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1	745755468	UJBAOCGRVWIXTH-GJZGRUSLSA-N	412.372	3.807	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCC(=O)OC(C)(C)C)cc1	745835744	AQEIVAWTKQOQRR-UHFFFAOYSA-N	401.507	3.789	10	20	HHCD	
CCN(Cc1ccncc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905777	QWOITYMKYXIOHT-KRWDZBQOSA-N	404.461	3.884	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1	748690480	DJVPOZZALKAUNG-UHFFFAOYSA-N	422.450	3.576	10	20	HHCD	
O=C(NCCNc1ccc2ccccc2n1)NCc1ccc(N2CCSCC2)cc1	749356737	VBTOYHUIXZEZAT-UHFFFAOYSA-N	421.570	3.699	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)Nc3c(C)nn(C)c3C)c2C)cc1	750476590	RRBCJOFZPSUVFP-QGZVFWFLSA-N	424.501	3.637	10	20	HHCD	
Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(O)c1O	751530749	RHYMIYUAVYMTOM-UHFFFAOYSA-N	402.494	3.954	10	20	HHCD	
C[C@H](NC(=O)NCc1c(F)c(F)cc(F)c1F)c1ccc(N2CCOCC2)cc1	752908794	DWINKYFYEFRKDR-LBPRGKRZSA-N	411.399	3.640	10	20	HHCD	
C[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1O	756597736	OQNKYXGXIUNCAV-CQSZACIVSA-N	416.474	3.973	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cncc(-c2ccccc2)c1	758239376	CLZDQXGOEPVWAK-UHFFFAOYSA-N	401.510	3.887	10	20	HHCD	
COc1ccc(Br)c(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1	761998919	AVYSSNKRAOZINA-UHFFFAOYSA-N	416.293	3.751	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@@H]3c3ccccc3)cc2)C1	763012646	GSDKGJWAIUHKQH-JTHBVZDNSA-N	420.557	3.825	10	20	HHCD	
O=C(NCc1cnn(CC(F)(F)F)c1)N(Cc1ccco1)Cc1ccccc1O	764374067	JVXOQQRCXVVQAE-UHFFFAOYSA-N	408.380	3.656	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3cc(OC)ccc3OC)CC2)cc1	764676921	VPQCVYUIAURCNJ-LJQANCHMSA-N	413.562	3.575	10	20	HHCD	
CCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1S(C)(=O)=O	765646931	ABZDLYFIDLICQR-UHFFFAOYSA-N	402.560	3.769	10	20	HHCD	
C[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1	765745150	YRCLBDRHPBSQKO-INIZCTEOSA-N	407.530	3.712	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)C(C)(C)C(N)=O	767654817	BJBRLOPGERIIRL-MRXNPFEDSA-N	407.436	3.810	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Cc1nc(O)c2ccccc2n1	768159636	FOHSTNKMUVCCJF-UHFFFAOYSA-N	407.474	3.866	10	20	HHCD	
Cn1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1	768162040	JSYCESLCRFJKKW-NRFANRHFSA-N	422.485	3.882	10	20	HHCD	
O=C(Cc1ccccc1I)NCc1c(O)ccc2c1CCCC2	771598876	WIEOADXZVLZLHW-UHFFFAOYSA-N	421.278	3.735	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cnn(-c4ccccc4)c3C)CC2)cc1	772450803	VJEXOPVHYFMBAT-UHFFFAOYSA-N	405.502	3.934	10	20	HHCD	
COc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)N2CCCC2)cc1	773617316	DQMZCMLOOZRHDY-JPYJTQIMSA-N	410.562	3.959	10	20	HHCD	
CCN(C)c1ccc(CN2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1	773732460	APFXIVOSUVIUNM-UHFFFAOYSA-N	403.473	3.702	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC4(CC3)CCN(C)C4=O)c2C)cc1	773921831	BUQSGDPLWQKDMC-UHFFFAOYSA-N	423.557	3.620	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)c3ccc(F)cc3F)cc2)CC1	774923039	ZQSKVZHKJBIUAX-INIZCTEOSA-N	415.484	3.695	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)C2=Cc3ccccc3OCC2)cc1	775175193	VIMQOYWRUWRKNY-UHFFFAOYSA-N	424.526	3.563	10	20	HHCD	
CN1CCc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cc21	776042333	RAXUPRKKWWOCKV-UHFFFAOYSA-N	420.557	3.703	10	20	HHCD	
CC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)ccc1Br	776751926	YONSYSZBOMGNRD-UHFFFAOYSA-N	404.669	3.812	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](n3cncn3)C2)c(C)n1-c1cccc(Br)c1	777221626	LAMCQXQBMMBRCG-QGZVFWFLSA-N	414.307	3.535	10	20	HHCD	
COc1ccc(C2(CNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CCC2)cc1	784537369	HUQOYTJAQPFJOC-UHFFFAOYSA-N	423.557	3.795	10	20	HHCD	
CCC1(CC)Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cc2O1	787885505	JMXRWUNOMITQIM-UHFFFAOYSA-N	421.497	3.605	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@H]1c1ccccc1Cl	788910612	CXENQLNVIAZFBY-NRFANRHFSA-N	411.933	3.920	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(C(C)(C)C)cs2)cc1F	789481999	KZEYDDQLVPHGKD-UHFFFAOYSA-N	406.527	3.681	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1	790241184	ONFGXABYQWWUGT-HNNXBMFYSA-N	423.435	3.982	10	20	HHCD	
CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccc(O)c2O)CC1	790649288	CJHBWBFDHMBPMM-QGZVFWFLSA-N	419.319	3.769	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cnc1C	794018635	XXOOEGPDRQPAPR-UHFFFAOYSA-N	423.903	3.754	10	20	HHCD	
C[C@@H](CCc1ccc(I)cc1)NC(=O)c1cc(O)cs1	795781532	MCAQEMXVKKBLGC-JTQLQIEISA-N	401.269	3.809	10	20	HHCD	
O=C1[C@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)CCN1CC(F)(F)F	796303937	IYMBRLDXRQLMGK-LJQANCHMSA-N	403.448	3.502	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc2Cl)C1	800718523	AKXBVNMKZHMLKM-QRQLOZEOSA-N	404.986	3.954	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1)c1ccc(N(C)C)cc1	807677599	QYOGEWRCXLHWJZ-YOEHRIQHSA-N	411.468	3.511	10	20	HHCD	
CC(=O)NC1CCC(N(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1	809826796	QYODOGKLOJBIEF-UHFFFAOYSA-N	420.561	3.773	10	20	HHCD	
CCn1c(CCc2ccccc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812044812	ONLJMBVKKNRQGR-UHFFFAOYSA-N	405.546	3.809	10	20	HHCD	
CCc1nocc1CN(C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	815174485	GRXGTAXIUMTZCV-UHFFFAOYSA-N	409.486	3.730	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)Cc3cnc4ccccc4n3)CC2)cc1	815257540	CEKGEHIDZAQPAV-KRWDZBQOSA-N	404.514	3.602	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC[C@H](n3cc(CO)nn3)C2)cc1	816641955	KWOLVIQUYPMFNK-DEOSSOPVSA-N	405.546	3.634	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc2oc(S)nc2c1	816901470	NRVOCRLZGZKKIZ-UHFFFAOYSA-N	408.527	3.901	10	20	HHCD	
CCOC(=O)[C@@H](C(=O)CSc1ncc(-c2ccccc2)n1C)c1nc(C)cs1	913229437	ZPRSPHHUQXQDJH-KRWDZBQOSA-N	415.540	3.860	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC4)n2)cc1	916088759	HDHGPMKNMYERJQ-UHFFFAOYSA-N	414.508	3.886	10	20	HHCD	
Cc1cccc(CN2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)c1	916625643	MGCUGZIJXKBADQ-UHFFFAOYSA-N	424.614	3.576	10	20	HHCD	
O=C1c2ccccc2N[C@@H](c2cc(O)cc(Br)c2O)N1C[C@H]1CCCO1	917501951	VANNNMUNTOSXBJ-KZULUSFZSA-N	419.275	3.606	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(OC)c(OC)c2OC)cc1	918226618	MFCGENUXYAGGIZ-UHFFFAOYSA-N	401.507	3.558	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CN1CCc2ccccc21	918444961	WYRQVELLQBSJDS-UHFFFAOYSA-N	415.493	3.552	10	20	HHCD	
COc1ccc([C@H]2CCCN2C(=O)CN(C)c2ccc(OC)c(OC)c2)cc1OC	920418615	UKTSLGVFDSPLOA-GOSISDBHSA-N	414.502	3.521	10	20	HHCD	
O=C(NCc1ccc(Br)o1)N(Cc1ccccc1O)C[C@H]1CCCO1	1116702300	JYGHWKZGSHHVLC-OAHLLOKOSA-N	409.280	3.639	10	20	HHCD	
O=C(NCc1cccc(OCC(F)(F)F)n1)NCc1c(O)ccc2c1CCCC2	1320952473	LWONEMIIBXRBPL-UHFFFAOYSA-N	409.408	3.607	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1c[nH]c(C(F)(F)F)c1	1327597131	ZTXWMTKPDYVTDA-UHFFFAOYSA-N	417.390	3.687	10	20	HHCD	
COCCOC(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	109055890	PYZJEXPZDXCHRO-UHFFFAOYSA-N	408.458	3.936	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccccc3N3CCOCC3)ccc21	303213600	SHNWXZHLSPPKAG-UHFFFAOYSA-N	421.541	3.671	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1	437018384	LGNSIEIVTLHBOT-UHFFFAOYSA-N	423.494	3.573	10	20	HHCD	
Cc1ccc2c(C3=CCN(c4ccc(S(=O)(=O)N5CCCC5)cn4)CC3)c[nH]c2c1	517655112	VJLSGSBDBQTYDC-UHFFFAOYSA-N	422.554	3.950	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(C)Cc2ccc(F)cc2Cl)n(C)c2ccccc12	576374753	HCPGNMNJXZTNRQ-UHFFFAOYSA-N	401.869	3.554	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C(=O)OC)c3ccccc3F)ccc21	610692534	DEQIRLOVMLKQNP-OAQYLSRUSA-N	412.461	3.688	10	20	HHCD	
C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)Nc1cccc(N2CCCC2)c1	725850487	BGAWWYITNZOZCV-CYBMUJFWSA-N	418.881	3.671	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCN(CC4CCCCC4)CC3)CC2)cc1	726714252	WYKUYHVLCQJTSE-UHFFFAOYSA-N	414.594	3.572	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)/C=C\c1ccccc1Cl	727446131	QPTOBCKRHDUEQE-GDNBJRDFSA-N	406.935	3.609	10	20	HHCD	
CN(C)CC(C)(C)CNC(=S)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728792253	JLLWUUVAPGJIGO-UHFFFAOYSA-N	404.546	3.579	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1	728943302	LGUMRYGFXZKREI-SZNDQCEHSA-N	400.475	3.930	10	20	HHCD	
COc1cccc(CNC(=O)c2sc(COc3ccc(F)cc3)nc2C)c1O	729859533	SDEDFHRQFKLZAI-UHFFFAOYSA-N	402.447	3.814	10	20	HHCD	
COc1ccccc1[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1	730065906	BCWMRGSAPRMJPG-QFIPXVFZSA-N	409.530	3.969	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCCc3ccc(OC)cc3)cc2F)CC1	730192667	JYSVXXDLPWOUIR-UHFFFAOYSA-N	413.537	3.615	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1	730910101	RZNHFQPOFWELSQ-HXUWFJFHSA-N	416.566	3.826	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3CS(C)(=O)=O)cc2)CC1	731106895	BECIZOBVCHOEHH-UHFFFAOYSA-N	415.559	3.789	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccccc2Cn2ccnc2)cc1F	731364728	YJCXQRNNOIFIFU-UHFFFAOYSA-N	409.509	3.916	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c1	731685304	XEBITUAQRUKWND-LBPRGKRZSA-N	416.865	3.707	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(-c4ccccc4)[nH]3)CC2)cc1	731962165	JCMFCHHRFXDACC-UHFFFAOYSA-N	418.541	3.632	10	20	HHCD	
CCC[C@@H](CC1CCCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	733254011	LTRWSMTVZDDWEU-FQEVSTJZSA-N	406.592	3.534	10	20	HHCD	
CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1Br	735518285	SKWSKLFUWZKRFD-CQSZACIVSA-N	422.323	3.823	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1	742476243	PKZWOXSNDQBBLG-QHCPKHFHSA-N	422.573	3.817	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800253	PQXGWKAQKYSKBM-ZDUSSCGKSA-N	421.400	3.604	10	20	HHCD	
CCN(CC(=O)Nc1cccc(OC)c1)Cc1ccc(N2CCC(OC)CC2)cc1	743272081	MPPDAIPSESPJMQ-UHFFFAOYSA-N	411.546	3.771	10	20	HHCD	
COc1ccccc1-c1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)cs1	746831321	CRSFFWWTNJDMNY-UHFFFAOYSA-N	409.511	3.585	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@H](NCc3cc(-c4ccccc4)ccc3O)C2=O)c1	748098496	GBDQEHJOCNOFES-QHCPKHFHSA-N	418.493	3.972	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OCC(F)F)cc1	748950965	MMRDNBCSRAYYMY-UHFFFAOYSA-N	405.445	3.831	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cc(F)cc(C(C)=O)c2O)cc1	750817065	IGUXLBKVADOUTG-AWEZNQCLSA-N	422.522	3.615	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1c(F)cccc1F	751918952	JAAYQVLQACCFGG-LLVKDONJSA-N	417.437	3.778	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	754484845	YNYCDAQYQORFFF-ACJLOTCBSA-N	405.926	3.925	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	756967483	PCQCKPLUJWWVDS-UHFFFAOYSA-N	418.881	3.725	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCc2c([nH]c3ccccc23)C1	759271671	JQTLSRQTPLCWIY-UHFFFAOYSA-N	406.555	3.989	10	20	HHCD	
Cc1ncc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1	761431451	FNOUJGGCLOYUGG-HNNXBMFYSA-N	412.538	3.558	10	20	HHCD	
CN1C(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)[C@@H]1c1ccccc1	761635067	GUMBAQWJGJCGFS-MJGOQNOKSA-N	415.440	3.892	10	20	HHCD	
CCn1nc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1Cl	761984178	XOAFDQICVTWEPJ-OAHLLOKOSA-N	411.333	3.618	10	20	HHCD	
CC(C)NC(=O)c1ccc(NCc2cccc(Br)c2O)c([N+](=O)[O-])c1	764935561	XBOMFTVSJCWHAW-UHFFFAOYSA-N	408.252	3.813	10	20	HHCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCN1Cc1ccccc1	765252182	IFRLTVVDZIXETR-FGCOXFRFSA-N	420.601	3.531	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc2c(c1)nc(O)n2CC(F)(F)F	765527830	RALAWOYAKRYITB-UHFFFAOYSA-N	416.450	3.673	10	20	HHCD	
CCc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1S(C)(=O)=O	766488153	JMHLAHTWJWMVIC-UHFFFAOYSA-N	420.494	3.615	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc2c(c1)CCCO2	768094053	SRACFRFIVOTCIB-JTHBVZDNSA-N	407.558	3.954	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnn(-c2ccccc2)c1	768912027	LTEYWWYTFPFZCR-IBGZPJMESA-N	410.905	3.626	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1	769281437	BKKHCLFAZDYMGH-XMHGGMMESA-N	417.494	3.764	10	20	HHCD	
CCCCn1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)n1	770223311	REPGYSUGRWQUSI-IYBDPMFKSA-N	402.514	3.674	10	20	HHCD	
CCN(CC)C(=O)COc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1Cl	770490121	NRBAKQPKWUXFPW-UHFFFAOYSA-N	407.854	3.813	10	20	HHCD	
Cc1cc(C(=O)N(C)CCc2cnccn2)c(C)n1-c1cccc(Br)c1	771296114	IABISOQPFXUZFX-UHFFFAOYSA-N	413.319	3.961	10	20	HHCD	
COc1cc(SC)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	772656074	OBWVYFJCYMUEHO-UHFFFAOYSA-N	401.532	3.918	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1ccc(OC(F)F)c(Cl)c1	772768344	IVPNQTKHXXHGPG-QHHAFSJGSA-N	413.760	3.548	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)cc1	773129392	FUDJDWDWWYLMQO-MRXNPFEDSA-N	417.912	3.852	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccccc1N(C)C1CCCC1)c1ccc(N(C)C)cc1	773845433	JNPFJBJPCVPGPN-KRWDZBQOSA-N	408.546	3.947	10	20	HHCD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773846781	OIJMIFZIUWOFEN-INIZCTEOSA-N	424.545	3.862	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N(C)Cc2cc(Br)cs2)c1	775374725	DGHSXCOMYPHOKX-LLVKDONJSA-N	413.337	3.534	10	20	HHCD	
COc1cccc(CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]2CCCO2)c1	775664179	QLHJBGYPMNWTDS-VWLOTQADSA-N	409.574	3.628	10	20	HHCD	
C[C@@]1(CCCO)CCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	776131347	ILLACMUJRPHRBX-NRFANRHFSA-N	411.493	3.593	10	20	HHCD	
C[C@@H](NC(=O)N1CCN(C(=O)CC2CCCCC2)CC1)c1ccc(N(C)C)cc1	776239117	RDNWTHGTNVIYBL-GOSISDBHSA-N	400.567	3.638	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H](C)Cc1ccccc1OC	777828641	NNZJPMJEROASAJ-HNNXBMFYSA-N	419.905	3.825	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2sc3nc(C)nc(N)c3c2C)cc1F	777859470	JDXQTSQKPFQZGX-UHFFFAOYSA-N	401.511	3.806	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCCCSc1nccs1	778273937	VHAGMEBISMJABX-SNVBAGLBSA-N	406.499	3.921	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccnc(OCCN(C)C)c2)c1O	779041083	OIDMTDCXUOKYIM-AWEZNQCLSA-N	408.340	3.649	10	20	HHCD	
COC(=O)[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cc(F)ccc1F	779180450	VBYWYBTYVSTXAR-FQEVSTJZSA-N	419.428	3.867	10	20	HHCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cc2c(cc1Br)OCCO2	779498467	HATDJLJBROQNSN-MZBZXASESA-N	420.259	3.522	10	20	HHCD	
CC(C)n1nnnc1-c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1F	783090686	IYNOPBYPGVETBU-UHFFFAOYSA-N	421.480	3.758	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)N2C[C@H]3CCCN3c3ccccc32)C2CCCCC2)cc1	784058319	PLTGSRLLZDHUAR-OAQYLSRUSA-N	418.541	3.950	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21	788831755	MOAMTFNIKMZABT-FQEVSTJZSA-N	411.546	3.832	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(C(C3CC3)C3CC3)C2=O)cn1	790107728	JQDQOIOCFXNRTE-WJDWOHSUSA-N	403.573	3.554	10	20	HHCD	
CCOC(=O)[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(N2CCOCC2)cc1	792198817	NUBZBEWBJJKHRB-OAQYLSRUSA-N	402.922	3.913	10	20	HHCD	
CCC(C)(C)OCc1cccc(NC(=O)C(=O)NCc2ccc(OC)cc2O)c1C	797389749	WTGYDTIMWBWGKB-UHFFFAOYSA-N	414.502	3.669	10	20	HHCD	
CN(Cc1ccccc1O)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br	798440488	NZAKFNOKFHAWML-UHFFFAOYSA-N	424.238	3.994	10	20	HHCD	
C[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)C(=O)N1CCCC1	798936700	KNGHZTKFLOSGJU-UWVGGRQHSA-N	420.145	3.579	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cc(Br)ccc2F)SC1=S	799201185	VFUXGUQQKLASJI-XYOKQWHBSA-N	418.309	3.743	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCc3cc(F)ccc31)c2[N+](=O)[O-]	801076726	OVWZCNBUUSSCKO-UHFFFAOYSA-N	416.364	3.712	10	20	HHCD	
O=C1CC(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)(c2ccccc2)C1	810318904	RKZZFLNQUNKCLR-UHFFFAOYSA-N	414.452	3.674	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)CC2)cc1	812477912	HYMFIRBTPIGJRY-LJQANCHMSA-N	408.546	3.679	10	20	HHCD	
COC(=O)c1cccc(Br)c1CN(C)c1cc(OC)c(OC)c(OC)c1	814625520	SIKCGHMTDBJKDI-UHFFFAOYSA-N	424.291	3.898	10	20	HHCD	
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	821693346	IJZHVZNHGBBTMT-CYBMUJFWSA-N	412.401	3.962	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCCOc3ccc(C)c(C)c3)CC2)cc1F	857464349	CQFWEKNDUXVJRS-UHFFFAOYSA-N	400.494	3.959	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	914438640	DYBALNWBJAUPRX-UHFFFAOYSA-N	416.525	3.929	10	20	HHCD	
CC(=O)Nc1c(C)ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C	918048271	RIBLWJJIICXVHM-UHFFFAOYSA-N	410.518	3.762	10	20	HHCD	
CC1(C)CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@@H]1c1ccccc1	919911343	OYYIPVBEJHESOT-IFMALSPDSA-N	420.557	3.681	10	20	HHCD	
C=CC(=O)NCc1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1	919976043	FBMQAMHYDVLSGD-UHFFFAOYSA-N	401.510	3.869	10	20	HHCD	
CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)N1CCCCCC1	920920772	KICRUTVUFKDLNL-NFBKMPQASA-N	416.610	3.784	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1nc(C2CC2)n(-c2ccccc2)n1	1115950282	HLZDJDVXDNPGMF-UHFFFAOYSA-N	419.554	3.628	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)Cn3cc(C4CC4)nn3)c2C)c1	1319143724	KIQRSGLUMGAEGS-UHFFFAOYSA-N	424.526	3.711	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc2cncn12	1320102184	SVDZHAVWANURQU-OAHLLOKOSA-N	400.429	3.643	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)C1CCN(C(=O)/C=C/c2ccccc2)CC1	1344042915	RASGTESJMWHNHS-RMKNXTFCSA-N	410.861	3.767	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCC(Cc2ccccc2)CC1	96970961	HWIPRXRMSFLDAI-DEOSSOPVSA-N	422.569	3.855	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C)nc3)c2C)cc1	105539209	SFGTXGDGSFYIMZ-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
c1ccc(-c2cc(NCc3ccc(N4CCSCC4)cc3)n3ncnc3n2)cc1	301095158	ODRCATKQQOGSFB-UHFFFAOYSA-N	402.527	3.957	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1	303554252	WJWNUSKBXGKPNF-QGZVFWFLSA-N	411.546	3.845	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)n(C)c2ccccc12	467942903	MARDIRNHUYOTDC-UHFFFAOYSA-N	404.474	3.924	10	20	HHCD	
COc1ccccc1C(=O)N[C@H](C(=O)NCc1c(C)c2ccccc2n1C)C(C)C	473284667	UZGREQZTJXDLBH-QFIPXVFZSA-N	407.514	3.566	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3nccn3CC(F)(F)F)ccc21	486471063	GRWUVONOAZWWKO-UHFFFAOYSA-N	422.451	3.936	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)c2c(c1)C[C@H](C)O2	727861637	YYRJBTIMNBGFAU-RCEBRVLHSA-N	414.508	3.828	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)cc2c1OCO2	727864912	YYXOHIKSQYMAST-DHDCSXOGSA-N	405.522	3.929	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCN2CCCC2=O)c(C)n1-c1ccc(F)c(Cl)c1	727912993	QQWYVBFOQATHRR-UHFFFAOYSA-N	420.868	3.625	10	20	HHCD	
CC(C)[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc(C2CC2)no1	727944243	WQKYCFKUCALZFK-HKUYNNGSSA-N	414.506	3.741	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1	728950536	RZPIOGBTYPRQQR-KBPBESRZSA-N	405.445	3.566	10	20	HHCD	
CC(C)N(CCCNC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C	729054506	ANBBTPODXMKEMY-UHFFFAOYSA-N	406.571	3.930	10	20	HHCD	
CCCN(CC)C(=O)c1ccc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	729360547	UOYWLPAHQHOJHI-UHFFFAOYSA-N	423.557	3.966	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(C(=O)NC(C)C)c(C)c3)CC2)cc1	731282090	JWWSCSKUHOYCBU-UHFFFAOYSA-N	424.545	3.886	10	20	HHCD	
Cc1ncc(/C=C\C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1	732732729	JKZUCLYQNIDABI-PLNGDYQASA-N	411.449	3.637	10	20	HHCD	
Cc1cc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c(C)n1-c1ccc(F)cc1	733885757	QBFBUMRRWITCLW-UHFFFAOYSA-N	417.444	3.770	10	20	HHCD	
C[C@@H]1CC(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C[C@@H](C)C1	739654007	KIGQQZWSTVTBMP-STQMWFEESA-N	406.438	3.925	10	20	HHCD	
CCOc1ccc(N(C)CC(=O)Nc2ccccc2I)cc1	739922416	KJFZQDWSZIXWFX-UHFFFAOYSA-N	410.255	3.765	10	20	HHCD	
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1	741065066	OQTPSZYVQFARHZ-UHFFFAOYSA-N	420.513	3.629	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@@H]1CCCN(c2ncnc3sccc23)C1	742670795	WOURDHSLOWVCFK-CYBMUJFWSA-N	419.601	3.663	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)ccc1[N+](=O)[O-]	742800361	JGZBQGLHEPQGNM-ZDUSSCGKSA-N	409.364	3.734	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCNC(=O)C1CCCCC1	743809136	NQIUDCNKBMNDLH-UHFFFAOYSA-N	411.340	3.590	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(Cc3ccccc3)Cc3cc[nH]n3)CC2)cc1	745796036	MZWUAXOHYSZFNH-UHFFFAOYSA-N	419.529	3.799	10	20	HHCD	
Cc1ccc2c(CCC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c[nH]c2c1	745989447	SFXYIPFKAKGZND-UHFFFAOYSA-N	409.505	3.826	10	20	HHCD	
Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	747209438	GJFZTVXRQGOZSM-UHFFFAOYSA-N	401.576	3.888	10	20	HHCD	
CC[C@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)Oc1ccccc1F	748969272	LXOOTJQJQOCKBF-LJQANCHMSA-N	415.509	3.960	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cccc(F)c2I)cc1F	749805795	JMNSPNMUNDRETC-UHFFFAOYSA-N	416.209	3.565	10	20	HHCD	
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	750670431	KTECABQNIRXPQU-KILVOPBSSA-N	404.532	3.777	10	20	HHCD	
COC(=O)[C@@](C)(NCc1cc(F)cc(C(C)=O)c1O)c1cccc(Br)c1	750819669	GARRGXINOARKQK-IBGZPJMESA-N	424.266	3.674	10	20	HHCD	
COc1cc(Br)c(S(=O)(=O)Nc2ccc(O)cc2C)cc1Cl	751215227	VRFYBUJFDQDVBR-UHFFFAOYSA-N	406.685	3.926	10	20	HHCD	
CCOC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)o1	751513092	NTSLBRXCLDJCJJ-ZROIWOOFSA-N	403.437	3.560	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1	752421893	YDWJKHYCJDQQCQ-QGZVFWFLSA-N	417.473	3.571	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1	753635806	JPJQZQGJBZOHLG-GFCCVEGCSA-N	405.376	3.663	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1	754224059	YAJGRYKHRGLMFX-AWEZNQCLSA-N	401.438	3.631	10	20	HHCD	
COc1cc(OC)cc([C@H](N[C@H](C)c2cc(F)cc(F)c2O)c2nccn2C)c1	756389794	DYLXXYCYTVCADS-BLVKFPJESA-N	403.429	3.861	10	20	HHCD	
C[C@@H](Nc1ccc(N2CC[C@H](N(C)C)C2)cn1)c1cc(Br)ccc1O	756858473	UYBACFUPHTZURQ-CJNGLKHVSA-N	405.340	3.863	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1	756924965	XMGRDMAOWKPKKJ-QFIPXVFZSA-N	422.573	3.566	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CC=C(C(F)(F)F)CC3)cc2F)C[C@@H](C)O1	757630079	VTCBRFKCTWFNIG-OKILXGFUSA-N	415.431	3.843	10	20	HHCD	
COC(=O)c1ccccc1CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	758901725	JPJKFZMHCJEGNM-JOCHJYFZSA-N	424.541	3.680	10	20	HHCD	
CCC(CC)NC(=O)[C@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc2O1	758960820	XWXMGHGPYYFAAO-FMAYLGMYSA-N	413.905	3.847	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3C[C@H](c4ccsc4)O[C@H](C)C3)CC2)cc1	760162918	CRDHSLUZIWXBEY-IIBYNOLFSA-N	415.559	3.897	10	20	HHCD	
CCCCN1CCc2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc21	761023048	JFMBAPGYBNHVDI-UHFFFAOYSA-N	420.557	3.704	10	20	HHCD	
O=C(CCc1nc2cc(Br)ccc2s1)NCCc1ccc(O)c(O)c1	762263185	AGYAYNBLDFUNQX-UHFFFAOYSA-N	421.316	3.762	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	764511605	IJFRTWLVADFTQX-GOSISDBHSA-N	419.884	3.912	10	20	HHCD	
CN(C)[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1	768944439	ADZAETCSGHMFFB-NRFANRHFSA-N	407.480	3.935	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)c2C)cc1	768956564	MOJYXHFFQIVQPY-VGSWGCGISA-N	400.544	3.887	10	20	HHCD	
O=C(Nc1ccccc1)NC1CCN(Cc2cccc(Br)c2O)CC1	769107708	XOPVQSTTXWMWTO-UHFFFAOYSA-N	404.308	3.941	10	20	HHCD	
O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769474173	SBBOHANYKJVXAF-IBGZPJMESA-N	400.469	3.896	10	20	HHCD	
C[C@@H](C[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1)NC(=O)OC(C)(C)C	769683238	CFDVRSMROJYTBE-CVEARBPZSA-N	409.546	3.568	10	20	HHCD	
COc1ccccc1[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)OC(C)C	769936280	WAWGCPMKNWCEOR-QHCPKHFHSA-N	402.510	3.927	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](CC(F)(F)F)c3ccccc3C)nc12	769989696	KKSBPLQRTHNPBO-MRXNPFEDSA-N	422.407	3.703	10	20	HHCD	
CC(=O)OCCCc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	772078412	UQEYNXNQIRQWGO-UHFFFAOYSA-N	416.861	3.510	10	20	HHCD	
Cc1ccc(OCCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(Br)c1	773739096	ASFHWKIHCWPGOE-ZDUSSCGKSA-N	408.292	3.685	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(OCCN3CC[C@@H](C)C3)cc2)c1O	774935584	PMHOJNMFVNAGQK-OAHLLOKOSA-N	401.463	3.642	10	20	HHCD	
COC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1	775442299	GFXHEYUCCPITME-FQEVSTJZSA-N	423.479	3.707	10	20	HHCD	
CCN(C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1)CC(F)(F)F	776160740	FLWIHFNXANBQLC-ZDUSSCGKSA-N	410.531	3.541	10	20	HHCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@@]1(N2CCOCC2)CCSC1	776263451	CGQUTFOYYUYYLK-VWNXMTODSA-N	412.599	3.864	10	20	HHCD	
COc1ccccc1N1CC[C@H](N[C@@H](C)c2cc(Br)cc(C)c2O)C1=O	779036112	LOKIQYXXNHPCIS-BBRMVZONSA-N	419.319	3.928	10	20	HHCD	
CCOCc1cc(CN[C@@H](C(=O)OC)c2ccc(Br)cc2)ccc1OC	779175986	YWHWPKDPZRJIOZ-LJQANCHMSA-N	422.319	3.998	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(C(=O)OC)CCC1	779343581	YNNQGZHLDBXGJQ-SFHVURJKSA-N	414.468	3.754	10	20	HHCD	
Cc1cc(CN(CC(C)C)C(=O)/C=C/c2ccc(O)c(O)c2)nc(N2CCCCC2)n1	779539954	OJBJQHIXFZIAFK-CSKARUKUSA-N	424.545	3.885	10	20	HHCD	
CCc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1	786657247	VXXOQDXUSHQBFL-UHFFFAOYSA-N	407.558	3.512	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](CC(C)C)c3ccccc3)cc2)CC1	786660349	DLSPQXRHYWQQRU-XMMPIXPASA-N	407.558	3.801	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	788246816	NZVVJIAJHWPPRM-LEWJYISDSA-N	403.567	3.839	10	20	HHCD	
COc1cc(OC)cc([C@@H](NCc2c(O)ccc(Cl)c2F)c2nccn2C)c1	790949759	HXSUDKAEKVVQNY-LJQANCHMSA-N	405.857	3.815	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1	792791671	GZFLUMJISUEKJN-KRWDZBQOSA-N	415.843	3.958	10	20	HHCD	
CC[C@@H]1NC(=O)N(c2cccc(NCc3cccc(Br)c3O)c2)C1=O	793356497	ICNKCKRQJXSEMW-HNNXBMFYSA-N	404.264	3.602	10	20	HHCD	
Cc1cccc(OCCCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1C	794804475	MLLKEVGBGBCFRM-UHFFFAOYSA-N	402.878	3.896	10	20	HHCD	
Cc1nc2ccccc2n1C1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	796465540	ZIPFXZJURFJAPV-UHFFFAOYSA-N	419.573	3.706	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2cccc3nsnc23)n1	799184410	JVMJDJJCSLPTRR-UHFFFAOYSA-N	404.498	3.624	10	20	HHCD	
Cc1nn(C)c(C)c1CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799939415	IPGPPFOBPYSECP-CQSZACIVSA-N	403.958	3.926	10	20	HHCD	
Cc1ccccc1-c1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n(C)n1	804251320	FSAFKCVKFIBMPT-UHFFFAOYSA-N	410.861	3.723	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc2c[nH]nc2c1	807243865	IYHHBKCKUOAMHR-UHFFFAOYSA-N	417.307	3.805	10	20	HHCD	
O=C(NCC1(c2cccc(F)c2)CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	807409265	IHOJCADYEDBKNZ-UHFFFAOYSA-N	422.456	3.501	10	20	HHCD	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807837168	DUPOWUCLFQWNFF-GFCCVEGCSA-N	401.290	3.572	10	20	HHCD	
CCOC1CC(N(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1	809257646	SIJGSZXBTAMMLK-FOWTUZBSSA-N	424.613	3.755	10	20	HHCD	
CN1CCN(c2ccc(CN3CC[C@]4(CCN(Cc5ccccc5)C4)C3)cc2)CC1	809703558	MPPVGIZLLQDBHH-SANMLTNESA-N	404.602	3.536	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(c2noc3cc(F)ccc23)CC1	810046616	XUIILIHFITWUIX-UHFFFAOYSA-N	424.520	3.871	10	20	HHCD	
COC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)n1C	815548255	RKIMJBCWURYWDK-UHFFFAOYSA-N	421.497	3.733	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)C(=O)OC)sc(C)c1-c1ccc(C)cc1	915826842	FZDOKRHXKNPBBU-UHFFFAOYSA-N	404.488	3.845	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1[N+](=O)[O-]	916089022	VAVSKCMYHFBSEE-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)NCCCSc3ccccc3)CC2)cc1	917090018	UQTJFRDQASTMEM-UHFFFAOYSA-N	413.587	3.506	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(F)cc3Cl)cc2F)C[C@H](C)O1	917169532	BJIVZCILKSBYNJ-KBPBESRZSA-N	424.875	3.927	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)cc2F)C[C@@H](C)O1	918138084	ISLDSVZDPDJNOG-HZPDHXFCSA-N	408.477	3.759	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)cc1	918198799	GVXSQYQYMAPHPC-OVCLIPMQSA-N	411.476	3.774	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCOC1CCCC1	918651716	ZOXAGIHAMVVEIS-DTQAZKPQSA-N	424.613	3.805	10	20	HHCD	
C[C@@H](NC(=O)NC1CCC2(CCOCC2)CC1)c1ccc(N2CCOCC2)cc1	1252720218	LGYHPFRJNBKNDX-GOSISDBHSA-N	401.551	3.623	10	20	HHCD	
C/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1	1791223709	KSNPFLONLIUNQG-VUGYHEGGSA-N	422.481	3.917	10	20	HHCD	
Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	7121507	RHNODLHEMNMPMN-UHFFFAOYSA-N	423.538	4.000	10	20	HHCD	
O=[N+]([O-])c1ccc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1	64029792	KBTIFQNHVRSRMO-UHFFFAOYSA-N	414.466	3.524	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1cccc(Br)c1	108412967	UQRWCYJTZLWYQQ-UHFFFAOYSA-N	401.308	3.862	10	20	HHCD	
Cc1cc(-c2nc(COc3ccc(F)cc3)no2)ccc1NC(=O)C1=S=CC=C1	535406669	DRAKYNJAXAHLGS-UHFFFAOYSA-N	409.442	3.979	10	20	HHCD	
COc1cccc(CNC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1O	725845827	JJQBBMHNPFENTE-KDOFPFPSSA-N	408.901	3.745	10	20	HHCD	
COc1cccc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1OC	726102826	YPHOTBPJICBTCN-UHFFFAOYSA-N	410.470	3.957	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	728754999	VEQMODTUNINKTF-HSZRJFAPSA-N	408.590	3.849	10	20	HHCD	
COCCc1noc(CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)n1	728928521	XFQRSAMDQAIMQX-YVMONPNESA-N	407.470	3.750	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1	728984714	SFOGGQPULSCNSK-GOEBONIOSA-N	416.905	3.784	10	20	HHCD	
CCCc1nc(C(=O)NCc2cccc(OC)c2O)nn1-c1ccccc1Cl	729858926	GVCCEQJRCNMHFW-UHFFFAOYSA-N	400.866	3.517	10	20	HHCD	
COc1cc(OCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-]	731016974	PFTPJICNNVFKAI-UHFFFAOYSA-N	413.474	3.535	10	20	HHCD	
CCc1nc([C@H](C)NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cs1	732254632	DCHMIYBNHSCMPI-HNNXBMFYSA-N	419.570	3.547	10	20	HHCD	
CC[C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	733951014	SKHVENXOMRZAFS-FQEVSTJZSA-N	406.592	3.534	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)ccc1I	734405609	QOBCRRYMVSXHBU-UHFFFAOYSA-N	412.246	3.735	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C	735686239	BXIFQVXAXRMOQB-CTNGQTDRSA-N	403.567	3.506	10	20	HHCD	
CCCn1ccc2cc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)ccc21	737100824	VVAFLZIFRBKBMK-UHFFFAOYSA-N	404.514	3.906	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCNc1nccc(C(F)(F)F)n1	737934665	HEYKQJXALTUNRU-UHFFFAOYSA-N	409.437	3.806	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1F	740001133	HHFKOHOOEHMVFD-UHFFFAOYSA-N	421.582	3.992	10	20	HHCD	
CC(C)(C)c1ncc(/C=C\C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1	742690900	SZGVPTDTJAKORL-HJWRWDBZSA-N	413.587	3.979	10	20	HHCD	
COCCOc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)ccc1OC	743090611	VKDOQZHCDBEZJZ-UHFFFAOYSA-N	400.475	3.627	10	20	HHCD	
O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743537652	MJXCOLZAIHDTKZ-OAHLLOKOSA-N	420.416	3.664	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)Oc1ccccc1F	743555370	WUIHVKAPHTXLID-INIZCTEOSA-N	403.523	3.646	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(-c2ncccn2)s1	743809118	NFJKADZGYMVEOI-UHFFFAOYSA-N	419.304	3.731	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1nn(-c2ccccc2)cc1O	743809445	WPAVJDGQWVEICW-UHFFFAOYSA-N	416.275	3.708	10	20	HHCD	
COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC(C)C	743929625	FXBAFEOBODFNAF-INIZCTEOSA-N	410.474	3.992	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@H](N(C)Cc4ccccc4)C3)CC2)cc1	745801613	YJVDXRXGOHVCSR-QHCPKHFHSA-N	422.573	3.580	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1	748662867	XPNINXYWYFDYGD-GOSISDBHSA-N	413.518	3.610	10	20	HHCD	
O=C(NCCC1CCN(CC(F)(F)F)CC1)NCc1ccc(N2CC=CC2)cc1	748963725	IJZHIVNHYMPCFC-UHFFFAOYSA-N	410.484	3.526	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(Cl)cn1	751930763	JYMLZEJCCLCWTH-LLVKDONJSA-N	416.890	3.549	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc2ccccc2c1	753202627	CKFGTFSTDUYFPB-WZONZLPQSA-N	415.537	3.961	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3C)CC2)cc1F	753741497	HKTLCVXLEKWLQL-UHFFFAOYSA-N	407.283	3.868	10	20	HHCD	
CCc1nc([C@H](C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1	754787130	BCRUKVBJZUZDPD-ZDUSSCGKSA-N	419.506	3.770	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1-c1ccccn1	754880497	HUVHVDCPFZXPAS-UHFFFAOYSA-N	403.482	3.524	10	20	HHCD	
O=S(=O)(Cc1ccc(F)c(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	755951438	IXKKSUWZHBKDQM-INIZCTEOSA-N	413.898	3.696	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1cnc(Br)c(Br)c1	758274918	XBKFTTAXPQWVOE-UHFFFAOYSA-N	401.058	3.634	10	20	HHCD	
O=C(OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(O)c1O	758562246	RULVJHCBOJVNKL-OAHLLOKOSA-N	410.253	3.925	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(Oc2cccnc2)nc1)c1ccc(N2CCOCC2)cc1	760815332	LTEUHNKZKUWFQT-KRWDZBQOSA-N	419.485	3.988	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	760855583	IKJMPSQXUWNFSO-UHFFFAOYSA-N	403.504	3.547	10	20	HHCD	
CCN(CC)Cc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	760973223	WEGKVJKSHCTEGP-UHFFFAOYSA-N	415.921	3.852	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3ccc(-n4ccnc4)cc3)CC2)cc1	764685597	WSNXGEXAQVLQTD-NRFANRHFSA-N	419.573	3.744	10	20	HHCD	
C[C@H](O)C[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1ccccc1	765536861	SZBITYHZVMGMGU-BBRMVZONSA-N	407.308	3.509	10	20	HHCD	
COc1ccc(SC)c(OC)c1C(=O)NCc1cccc(Br)c1O	765727812	OYJBEZYQMCNNSO-UHFFFAOYSA-N	412.305	3.824	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(N2CCOCC2)c(F)c1	765852344	VMGMIUOIVKUKPF-QAPCUYQASA-N	405.464	3.870	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	765884515	PGIRMHZBYSQQNT-HSZRJFAPSA-N	416.566	3.604	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC([C@H](O)C(F)(F)F)CC3)c2C)cc1	766238185	XPTZRALVMDJIDP-IBGZPJMESA-N	410.436	3.878	10	20	HHCD	
CC(=O)c1ccc(N2CCN(Cc3cccc(Br)c3O)CC2)c(F)c1	768217898	JRIYYZBHNUCGDY-UHFFFAOYSA-N	407.283	3.819	10	20	HHCD	
O=C(CCCc1ccccc1)N1CCN(Cc2cc(Br)ccc2O)CC1	769233336	RRWFMHDCHXVLOR-UHFFFAOYSA-N	417.347	3.822	10	20	HHCD	
COc1ccc(C[C@@H](C)CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1F	769542320	ZKGWVXXKMRBQHX-XLIONFOSSA-N	413.537	3.504	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1C[C@@H]2CCC[C@H](C1)C2=O	771055710	CUEJREMEWMXPAZ-QDXKRRSBSA-N	404.938	3.522	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(C4C[C@H](C)C[C@@H](C)C4)n3)CC2)cc1	771057511	OOQYMTZCHKKBHL-IAGOWNOFSA-N	412.534	3.509	10	20	HHCD	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	772600159	VNMGLAANLKZUPP-JOCHJYFZSA-N	411.546	3.647	10	20	HHCD	
C[C@@H](NC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	773619108	QYBSREYDUAYGIX-MRXNPFEDSA-N	404.555	3.760	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	773740625	RWKGHEOEALXXQE-RISCZKNCSA-N	423.296	3.505	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1Br	773846779	OIHPHKQNVLQRLK-ZDUSSCGKSA-N	404.308	3.639	10	20	HHCD	
CC[C@@H](NCCCNC(=O)c1cccc(O)c1)c1cc(Br)ccc1O	775500345	IEMWUVHZFFFTPI-QGZVFWFLSA-N	407.308	3.721	10	20	HHCD	
Cc1cccc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1O	775642713	GZGPIIHKJCWKKB-UHFFFAOYSA-N	415.342	3.514	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCCC[C@H]1C1OCCO1	775675229	URSGFQRQBQROCL-ZDUSSCGKSA-N	421.129	3.645	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCOc2cc(F)ccc21	776943170	ZJBSOEIDFUEJAH-OAQYLSRUSA-N	413.493	3.718	10	20	HHCD	
COc1cccc(Cn2nccc2NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1OC	779463315	ZPHXNQNMKQQFOX-INIZCTEOSA-N	423.517	3.897	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC(O)(c4c(F)cccc4F)CC3)ccc21	779550082	PFLGQSFHEKHLML-UHFFFAOYSA-N	415.484	3.540	10	20	HHCD	
CNC(=O)CCOc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	782767228	FYLWQHZMWILIKU-UHFFFAOYSA-N	412.534	3.710	10	20	HHCD	
CSc1nnc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)s1	782784576	PNYVDAFOINAXPF-UHFFFAOYSA-N	412.500	3.930	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccc(Cn3cccn3)c2)C2CCCCC2)cc1	784061175	MKNGNKZGPGFHBU-UHFFFAOYSA-N	417.513	3.818	10	20	HHCD	
Cc1occc1-c1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)no1	786215841	YLHWRIPZEQIHJZ-UHFFFAOYSA-N	410.474	3.773	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCC2(CCCCC2)O1	790198094	PNBDVZXGILEEMM-HXUWFJFHSA-N	403.592	3.921	10	20	HHCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(Br)cn1	793242376	PKIQGIIBRQNIRH-LBPRGKRZSA-N	404.308	3.989	10	20	HHCD	
COCCOC1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	796593514	XYTFEQRSCKXXNU-UHFFFAOYSA-N	407.466	3.622	10	20	HHCD	
CC[C@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccc(F)cc1O	796993859	LEWGBXMJMIGOBG-CVDCTZTESA-N	411.477	3.997	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cnc(Cl)c(Br)c2C)c(O)c1	797644972	AWIWSOSLJJQEBK-UHFFFAOYSA-N	400.660	3.842	10	20	HHCD	
COC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C[C@H](C)O1	799995215	UPXNQPYJJPKIIW-BQFCYCMXSA-N	409.958	3.522	10	20	HHCD	
COc1cc(OC)cc(C2(F)CCN(Cc3ccc([N+](=O)[O-])c(OC)c3O)CC2)c1	802660010	WMDWMMJTPBAPAW-UHFFFAOYSA-N	420.437	3.787	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCOC[C@H]3[C@@H]3CCCO3)cc2Cl)C1	805450702	NRICAFWTCGMHNJ-CZAAIQMYSA-N	421.969	3.666	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H](CCO)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	806541266	IFINPMHVMOABSU-IERDGZPVSA-N	417.937	3.661	10	20	HHCD	
C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCCCSc1nccs1	806958497	ITNKLIVBJVDDHV-ZDUSSCGKSA-N	406.581	3.661	10	20	HHCD	
COC(=O)c1c(C)csc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	807006911	VNXAGQWKUVRICB-UHFFFAOYSA-N	415.515	3.730	10	20	HHCD	
O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(F)c(Cl)c1F	808115890	XQTRUWNVPXBKHG-UHFFFAOYSA-N	416.160	3.615	10	20	HHCD	
CCC1(c2nc(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)CCCCC1	809465562	XOWROIAOTAXMNU-UHFFFAOYSA-N	412.534	3.581	10	20	HHCD	
COc1cccc(C2(CNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1	811866305	GLVUOMAJMYRNMM-SFHVURJKSA-N	409.530	3.624	10	20	HHCD	
CC[C@@]1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)OCCc2ccccc21	812492727	LNBVFTFNNSNRFK-OFVILXPXSA-N	424.541	3.961	10	20	HHCD	
C[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccc(F)c(Br)c1	812610991	IRTBSURSERQELT-SNVBAGLBSA-N	411.223	3.919	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc(C(=O)N(C)C)cc3)cc2F)CC1	813861514	UTUDZKGQOBREMJ-GOSISDBHSA-N	412.553	3.520	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)C2CC2)cc1	914758727	NMPOMSFJWIVHKH-INIZCTEOSA-N	413.468	3.575	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1nnc2ccccn12	915749500	WXQOPCSAKLFTSV-HNNXBMFYSA-N	413.441	3.961	10	20	HHCD	
C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)o1	920179899	DWZUKGMOBYVENS-XLIONFOSSA-N	421.520	3.949	10	20	HHCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCc2c(ncn2-c2ccccc2)C1	929083097	WNHIGWWCVWZHJV-IBGZPJMESA-N	417.557	3.946	10	20	HHCD	
O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	1115958417	AQUWEDXFQPETRU-QHCPKHFHSA-N	418.541	3.944	10	20	HHCD	
C[C@H](OC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	1318511660	WUWOKVFVWLIPMD-HNNXBMFYSA-N	414.468	3.896	10	20	HHCD	
CCN(C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1	6428374	HIGSLUUIEQOHRX-UHFFFAOYSA-N	413.429	3.672	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnc(CN3CCCC3=O)o2)c1C	59270978	WBVSMVAPVMHZOI-UHFFFAOYSA-N	424.526	3.883	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccnc(N4CCCCC4)c3)CC2)cc1	110464702	YTBRSWBJMRIIMZ-UHFFFAOYSA-N	423.561	3.549	10	20	HHCD	
Cc1cccn2c(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)cnc12	237845532	DZUVMFGFYQGFQQ-UHFFFAOYSA-N	404.436	3.788	10	20	HHCD	
COC(=O)[C@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)Cc1ccc(O)cc1	303248756	MMHCEMVPJBUQEV-FQEVSTJZSA-N	406.482	3.561	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C(C)(C)c3ccc(F)cc3)cc2F)CC1	303283652	JIKAMFZURMLFBY-UHFFFAOYSA-N	401.501	3.701	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(CC(F)(F)F)[C@@H]2CCOC2)C1	435811162	VRLBRGXJDRGPLS-MRXNPFEDSA-N	423.479	3.588	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCCc3nnc4n3CCCCC4)ccc21	490233617	CLMZEBCRKPPKBE-UHFFFAOYSA-N	423.561	3.585	10	20	HHCD	
CCOCc1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	726697076	CAQXRJGWEQRZHU-UHFFFAOYSA-N	401.482	3.645	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cn(-c2ccccc2Br)nn1	727168308	NDSPUXIBSVEZKJ-UHFFFAOYSA-N	415.291	3.788	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)cc1C	727359580	UHBLTHHUUDUVQM-UHFFFAOYSA-N	414.531	3.505	10	20	HHCD	
CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C2CC2)no1	727940090	BLPKKZJOYLUNIC-DNVCBOLYSA-N	413.522	3.541	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](c3nc(C4CC4)no3)C(C)C)CC2)cc1	727943287	HUMZBHDCZUWYTD-LJQANCHMSA-N	413.522	3.575	10	20	HHCD	
O=C(CCc1cnn(-c2ccccc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	731856828	SIDQMZSJUKSDCG-JOCHJYFZSA-N	405.498	3.718	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1occc1CS(=O)(=O)c1ccccc1	734405844	ZIZORWPUDWZHET-UHFFFAOYSA-N	412.511	3.558	10	20	HHCD	
COc1ccc(CN2CCC(CNC(=O)NCc3ccc(N(C)C)cc3C)CC2)cc1	734522881	AESJMXNSOZWCBC-UHFFFAOYSA-N	424.589	3.781	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nnc(C(F)F)s1	743123604	OEUYFACMNHYWRJ-UHFFFAOYSA-N	407.240	3.998	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C[C@@H]3CN(Cc4ccccc4)CCO3)cc2)CC1	743339534	STIWXSWIOPWULN-RUZDIDTESA-N	421.585	3.830	10	20	HHCD	
COc1ccc(O[C@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1	743554572	IFCULTLKZWEEFJ-QGZVFWFLSA-N	415.559	3.515	10	20	HHCD	
COCCOC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)C1	744416946	KVERUEAFTYEEFK-LJQANCHMSA-N	416.587	3.984	10	20	HHCD	
COC(=O)c1ccc(/C=C(/Cl)c2nc(O)c3c(n2)=S=C(c2ccccc2)C=3)cc1	747163986	GLPZBRQEKPUEAB-GZTJUZNOSA-N	422.893	3.705	10	20	HHCD	
CN(CC1CCCCC1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751060511	XHRSLVBDWJEPDT-UHFFFAOYSA-N	408.545	3.907	10	20	HHCD	
CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1	752830336	OJIKASRTALUNMR-VZUCSPMQSA-N	414.458	3.653	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccccc3Br)CC2)cc1F	753886851	UQHPGSGLCDDKCC-UHFFFAOYSA-N	422.298	3.629	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	754127420	IWANZTZOJUUPAI-AXUOBQJMSA-N	421.488	3.514	10	20	HHCD	
Cc1csc([C@H](C)CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	754159041	KRZQAZGPHRPJCQ-FVQBIDKESA-N	420.554	3.807	10	20	HHCD	
Cc1nc2ccnn2c(C)c1CCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754554307	YVRZPCQGDVLKIL-UHFFFAOYSA-N	424.460	3.693	10	20	HHCD	
O=C(NCCNc1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754917699	ZSVUYMUYUHIEEW-KRWDZBQOSA-N	404.461	3.668	10	20	HHCD	
COCCN(CC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(OC)c(OC)c1	756886156	XOUFDYIZGBBEGI-UHFFFAOYSA-N	417.487	3.512	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cc(Br)cc2c1OCC2	758398300	URBJUFQJNBVRGH-UHFFFAOYSA-N	423.332	3.785	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(-c3ncco3)ccc2C)cc1F	759019392	HSOZBCAXRHSSLA-UHFFFAOYSA-N	424.476	3.890	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(OC2CCCC2)nc1	760999750	PHEVHAPNQZHSRB-UHFFFAOYSA-N	415.877	3.726	10	20	HHCD	
COc1ccc([C@H](CCO)NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	762275003	SRAJZHSLPHOXSY-QHCPKHFHSA-N	408.498	3.965	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3csc(-c4ccco4)n3)CC2)cc1F	764372152	BFKDNFXXYAFUSJ-UHFFFAOYSA-N	416.478	3.583	10	20	HHCD	
Cc1nccn1-c1ccc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	765257703	ZPKBYWOCGUKWAY-XMSQKQJNSA-N	417.557	3.733	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1Cl	765680370	WUJNWAJKWYVTTN-UHFFFAOYSA-N	405.951	3.901	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC([C@@H](O)C(F)(F)F)CC3)c2C)cc1	766238188	XPTZRALVMDJIDP-LJQANCHMSA-N	410.436	3.878	10	20	HHCD	
COC(=O)c1cc(C(=O)OC)n(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	766783233	PUGALTIHPUUYFQ-UHFFFAOYSA-N	421.413	3.510	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1	770350697	ICIPOMPECJXVSP-NQIIRXRSSA-N	403.567	3.791	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(COc3cccc(C(C)=O)c3)on2)c1	770790896	HWNZSNZTCTYQGB-ZDUSSCGKSA-N	410.426	3.661	10	20	HHCD	
COC(=O)Nc1ccc(CCN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	773008114	UAGYGYHFRSQMMD-INIZCTEOSA-N	401.482	3.734	10	20	HHCD	
C[C@H](NC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(N(C)C)cc1	773023634	JTYHQAXFPXBGCU-LBPRGKRZSA-N	415.437	3.505	10	20	HHCD	
C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(N2CCOCC2)cc1Cl	773069565	UVTGAWGNOYMEJI-IERDGZPVSA-N	405.970	3.761	10	20	HHCD	
COc1cc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1Br	773089701	UJKUNCPAYAYUEE-GFCCVEGCSA-N	413.337	3.563	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1	775256084	VHYDWTHTGSYKPK-FQEVSTJZSA-N	422.573	3.803	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	775258650	IIDJWUOCTSRJGL-AUSIDOKSSA-N	412.574	3.911	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NS(=O)(=O)CCCC(F)(F)F)c1C	779236268	LNPKYVBCDZWFPO-UHFFFAOYSA-N	402.438	3.805	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1F	783151688	AFDXOHBFYVRTBE-UHFFFAOYSA-N	416.453	3.803	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1OC(F)F	783315251	BDVCKGBEYPDLQX-UHFFFAOYSA-N	405.445	3.730	10	20	HHCD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	790538916	LKZWLBJGBYGHQO-IBGZPJMESA-N	424.536	3.676	10	20	HHCD	
Cc1ccc([C@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccccn2)cc1	791641751	WRUFILYMDUABAZ-VWLOTQADSA-N	402.542	3.794	10	20	HHCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl	794796007	QRPWRNXJADLWSM-NSHDSACASA-N	402.347	3.558	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)c(F)c1	795609630	GWRQFMZRDIEESP-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3csc4ccccc34)CC2)cc1	795815527	NYOCPSWEKDDPSB-UHFFFAOYSA-N	402.541	3.857	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](N4CCOCC4)C[C@@H]3C)c2C)cc1F	796379605	UWBUQRDWGDKKHK-UWJYYQICSA-N	413.537	3.519	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c(O)c1	797617444	WHHTWXKFARDBPL-UHFFFAOYSA-N	411.502	3.903	10	20	HHCD	
C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803577145	UMHVTHCBOJBZCF-GOSISDBHSA-N	407.558	3.558	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1nc2ccccc2s1	804163324	HIHMVKXZQZJUDF-INIZCTEOSA-N	424.570	3.977	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl	806843246	HZVPJXJXGYWHHQ-GOSISDBHSA-N	416.905	3.754	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)c1O	807252217	XFCDPIMSRZKKGD-INIZCTEOSA-N	406.280	3.509	10	20	HHCD	
C[C@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)Sc1ccccc1	807633039	OJYPTYCGHWTBAJ-QGZVFWFLSA-N	411.571	3.541	10	20	HHCD	
Cc1occc1CN(C)C(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	807952219	JRTHHHNTBQIUNZ-HNNXBMFYSA-N	417.937	3.753	10	20	HHCD	
COc1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)ccn1	808909646	GDIJIFLJKTVTCL-KAMYIIQDSA-N	419.553	3.772	10	20	HHCD	
O=S(=O)(NCc1ccco1)c1cccc(NCc2cc(Cl)cc(F)c2O)c1	809652720	XONIMASXDIVXAW-UHFFFAOYSA-N	410.854	3.868	10	20	HHCD	
Cc1cc(=O)n2nc(COC(=O)c3ccccc3N=Nc3ccc(O)cc3)sc2n1	914144399	ZGNSUROWZUNVMY-UHFFFAOYSA-N	421.438	3.937	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-c2nccs2)c1	918306973	JMLLINLMASUBQN-UHFFFAOYSA-N	408.527	3.863	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1	918312335	XUJSCSUNUMFQMG-NRFANRHFSA-N	420.557	3.507	10	20	HHCD	
COc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cnn1-c1ccccc1	1321284063	BSBFWHAZVFDQDM-UHFFFAOYSA-N	410.437	3.843	10	20	HHCD	
O=C(c1ccccc1)N1CCC[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	1322610157	AYLJKERWZKCYEF-OAQYLSRUSA-N	422.529	3.980	10	20	HHCD	
Cc1nc(N2CCOCC2)sc1-c1nnc(-c2cc(C)n(-c3ccccn3)c2C)o1	1345793217	PKMINAKKIRHSKM-UHFFFAOYSA-N	422.514	3.808	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)N[C@@H](c3ccccc3)c3cccs3)CC2)cc1	7354766	SMNIJHRKXFMAJG-DEOSSOPVSA-N	421.566	3.785	10	20	HHCD	
Cc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2N2CCCC2)cc1	19488329	FUQNOYIGDLWPOV-UHFFFAOYSA-N	410.499	3.562	10	20	HHCD	
CN(C)c1ccc(CNc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)cc1F	58545398	UQULSTJQZGHROX-UHFFFAOYSA-N	408.811	3.981	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N[C@H](c3ccc(C)cc3)C3CC3)CC2)cc1	108095822	ZUMAMNDPIMEMCX-RUZDIDTESA-N	407.558	3.783	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)cc1F	303526447	QIZIACNQRKMXGT-OALUTQOASA-N	403.542	3.717	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1nc2cc(Cl)ccc2s1	726237231	WJMXCOQEWAOTIJ-UHFFFAOYSA-N	416.934	3.786	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CCN(CCc2ccccn2)CC1	727223350	ANCWEVDJJZNEII-UHFFFAOYSA-N	421.589	3.530	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1F	731405107	UMPBNHFBNBUIPQ-GOSISDBHSA-N	412.509	3.556	10	20	HHCD	
CCOc1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1Cl	732733797	NALMKBVTEPANBS-ZIAGYGMSSA-N	421.900	3.816	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1O	734843049	DNTNFMYHMPTBOV-CJNGLKHVSA-N	404.772	3.578	10	20	HHCD	
CC(C)C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	740780619	GVJMVNWXNKRJGS-GGAORHGYSA-N	407.558	3.834	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	741060985	UEYCCKDBUOZZHL-UHFFFAOYSA-N	410.905	3.930	10	20	HHCD	
Cc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(OC(F)F)cc1C	742345814	BRGNPEZWBMQJLH-JYRVWZFOSA-N	401.456	3.971	10	20	HHCD	
C[C@@H](c1ccncc1)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	743721961	FNIKBXMJADPQPC-ZDUSSCGKSA-N	415.405	3.598	10	20	HHCD	
Cc1ncc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	745903676	LSEOXLUULPFHSD-AWEZNQCLSA-N	410.490	3.863	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccc3n[nH]cc3c2)NC(=O)OC(C)(C)C)cc1	746612449	OOJHFZIYYVEOIO-FQEVSTJZSA-N	423.517	3.625	10	20	HHCD	
O=C(CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)NC1CCCCC1	747015185	UNHWLGGJVPQFJY-UHFFFAOYSA-N	407.474	3.606	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cc4cccc(C)c4o3)CC2)cc1	747150525	IIBRVELEYMUVQW-UHFFFAOYSA-N	407.514	3.692	10	20	HHCD	
COc1ccc(OC)c([C@H](O)CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	747210204	LRMFJYQDGSIICM-JOCHJYFZSA-N	408.498	3.883	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc4c(cnn4C(F)F)c3)CC2)cc1F	747388470	ONMXNIDDXYUZRQ-UHFFFAOYSA-N	419.407	3.933	10	20	HHCD	
CC[C@](C)(NC(=O)c1cc(C)n(-c2ccccc2Br)c1C)C(=O)OC	748788786	XKLDCBWYDXLWIT-IBGZPJMESA-N	407.308	3.928	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	749670702	NDEXLMLHHQFDQS-RTWAWAEBSA-N	400.438	3.815	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(O)nc3c(Br)cccc23)cc1	749874593	OLEVGSWWQZFUGT-UHFFFAOYSA-N	400.276	3.699	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c1O	750039477	OPOVICOCMJNYBW-UHFFFAOYSA-N	404.869	3.654	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(I)c(Cl)c2)c1O	750239616	MMLKFFIHPANAOE-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2o1	751370920	FLJFWVLHSDRAND-QGZVFWFLSA-N	420.918	3.735	10	20	HHCD	
Cc1ccc(Cn2cccc(NC(=O)NCc3ccc4c(c3)CCCN4C)c2=O)cc1	754466725	CRQDVFVIAJSNQW-UHFFFAOYSA-N	416.525	3.909	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1	756816982	USUAUGGOODZHPU-QGZVFWFLSA-N	409.530	3.884	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	757287360	UKKBUXROSLQBEA-OAQYLSRUSA-N	409.530	3.548	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCCSc3nccs3)cn2)CC1	759551791	UQYOKECTZVJYEP-UHFFFAOYSA-N	405.593	3.756	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@H]1CCCN(Cc2cccs2)C1	759574724	JPXVNYALTMLAEF-OAHLLOKOSA-N	410.634	3.898	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCSc1nccs1	759591052	TZQUNNZYFWCWGS-KRWDZBQOSA-N	404.605	3.931	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	759596933	WTHYYNJXRWNCKZ-YMYNHAKTSA-N	408.237	3.767	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	759676026	OPFLRPLVCUVDAS-PGRDOPGGSA-N	412.530	3.970	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)[C@]12CCCO2	760142346	KPKCLWJFUGQTDQ-MQSCRBSSSA-N	402.535	3.963	10	20	HHCD	
Cc1nc(CC(C)C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1	761046619	FJTJCBBDAFNXAW-UHFFFAOYSA-N	414.575	3.846	10	20	HHCD	
C[C@H](c1ccccc1)N1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761149240	FIBVNINQGDJEOZ-DNVCBOLYSA-N	413.905	3.645	10	20	HHCD	
CCOc1cccc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)n1	763105384	CISFZQFFOUPYHA-MHWRWJLKSA-N	402.497	3.903	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	765747107	LVPAKYSYDBHOIO-UHFFFAOYSA-N	420.263	3.593	10	20	HHCD	
COCCNc1nn(CN2CCCc3cc(OC(F)F)ccc32)c(=S)s1	766352271	RYTBORLSEDAEEU-UHFFFAOYSA-N	402.492	3.744	10	20	HHCD	
COC[C@H]1CCCCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1	767940287	KORPOTJAUNSVNN-SJORKVTESA-N	420.509	3.538	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(Br)cc(Br)c1O)C(C)(C)C	768524291	NRBUAAFCEFZZKK-GFCCVEGCSA-N	409.118	3.595	10	20	HHCD	
COc1ccc(F)cc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	770157106	CDDRGTRUDGOHQL-UHFFFAOYSA-N	422.459	3.655	10	20	HHCD	
CC[C@@H](C)CCCCc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	771056022	KHDMVYADBXYZGQ-GOSISDBHSA-N	414.550	3.728	10	20	HHCD	
COc1ccc2cc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)[nH]c2c1	771059066	PINIKVKCAPTEMX-QGZVFWFLSA-N	413.905	3.930	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3cc(F)ccc3Br)CC2)cc1	771255434	LDNVHQITTUHDRS-UHFFFAOYSA-N	421.310	3.925	10	20	HHCD	
Cc1ccsc1CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	773505931	NMDGZGCHAOEJIG-HZPDHXFCSA-N	405.539	3.851	10	20	HHCD	
CCO[C@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1(C)C	773775468	HMHQINNDAOARNT-CVDCTZTESA-N	424.501	3.723	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1	775188955	HHQQBAFOPQOZPS-QFIPXVFZSA-N	421.928	3.928	10	20	HHCD	
CCOC(=O)c1sc2nc(CN[C@H](C)c3ccc(N(C)C)cc3)nc(N)c2c1C	775835690	WCVANYSJROQSNS-CYBMUJFWSA-N	413.547	3.675	10	20	HHCD	
CC[C@@H](C)Oc1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1	776898894	BAMYESLGYXBTAF-MSOLQXFVSA-N	412.534	3.656	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1cnn(CC(F)F)c1	777665120	DALYNVCSKQXZEJ-UHFFFAOYSA-N	404.851	3.726	10	20	HHCD	
CCOC(=O)[C@H]1CCCN(C(=O)CN(Cc2ccccc2)c2ccc(OC)cc2)C1	781297442	DSVFQVXNOGUBHR-FQEVSTJZSA-N	410.514	3.504	10	20	HHCD	
CCN(CC)CCCC1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1	782501127	OIYQSTAAYWVQQA-UHFFFAOYSA-N	416.610	3.567	10	20	HHCD	
Cc1cc(F)ccc1-n1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)n1	783035131	FSQODYHJUYSEFR-UHFFFAOYSA-N	410.518	3.803	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C	785293206	DKKHTHVURGPDOX-AWEZNQCLSA-N	410.514	3.743	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCCc3ccccc3Cl)cc2)CC1	786693431	YUSAVHATMPELTP-UHFFFAOYSA-N	413.949	3.551	10	20	HHCD	
CC(C)(C)CN(CC(C)(C)C)C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789854562	BQBYYOPMACKYBW-UHFFFAOYSA-N	419.635	3.777	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(C)c(C(=O)O)c1	790416388	VXDPYLOJZKXUPV-UHFFFAOYSA-N	414.277	3.525	10	20	HHCD	
C[C@H](O)C[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	790703497	ZZUFXFAKVUHFEV-MAUKXSAKSA-N	411.493	3.592	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)cc1	794295934	KGDBDZHXOJYPTH-UHFFFAOYSA-N	406.417	3.542	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)CCc2cccc(Cl)c2)cc1	795315819	GMOSWTPJWRQLFU-UHFFFAOYSA-N	418.950	3.635	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)c(C)n1-c1ccccn1	804895172	DYXBVKUGIZRCHL-UHFFFAOYSA-N	412.440	3.856	10	20	HHCD	
Cc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1N1CCNC1=O	806475302	ROMUDKFPSHMLEH-UHFFFAOYSA-N	409.273	3.859	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1ccccc1F)C1CCCC1	807290143	QVTGYGIPZGMCGW-HSZRJFAPSA-N	421.516	3.866	10	20	HHCD	
C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Oc2cccnc2)cc1	808764373	YWSIWLNOAFJLNJ-SFHVURJKSA-N	404.514	3.907	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cncc(C(F)(F)F)c2)cc1	809580411	NSYAVXFQHQMREF-LJQANCHMSA-N	407.436	3.988	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1	812478106	CGBCSBSWJJYUMD-UHFFFAOYSA-N	420.391	3.889	10	20	HHCD	
Fc1cc(CNCc2c(F)ccc(C3OCCO3)c2Cl)ccc1N1CCOCC1	812824661	BLLOWRYJKNRAFF-UHFFFAOYSA-N	424.875	3.790	10	20	HHCD	
C[C@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)N1CCNC1=O	814772255	RMHGAQXSMRYWRB-CEITULEQSA-N	417.537	3.545	10	20	HHCD	
Fc1ccc([C@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2nc[nH]n2)cc1	815573731	RRQUWDJELHTSAT-IBGZPJMESA-N	417.435	3.893	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)c1	913144100	WVOGNAYHHUBKDA-UHFFFAOYSA-N	400.494	3.883	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OC[C@@H]1CCCCO1	914083969	JETZQXSZUCYMSL-WZMONFQBSA-N	411.570	3.842	10	20	HHCD	
CC1CCN([C@H](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C(C)C)CC1	916438760	BQLXBVGYVJWOER-FGZHOGPDSA-N	417.594	3.839	10	20	HHCD	
O=C1CCCN1Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	916682830	GVIFNKMSDDYTQL-NRFANRHFSA-N	423.513	3.728	10	20	HHCD	
COCCOCc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	916688188	OGJHKJCADNSFLA-OAQYLSRUSA-N	414.502	3.768	10	20	HHCD	
Cc1cc(CC(=O)N2CCN(C[C@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1	918687594	VWHWHBDKBOEVRD-JOCHJYFZSA-N	415.965	3.613	10	20	HHCD	
CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1c(F)cccc1F	920007514	LCUJNVAYCNLCKU-UHFFFAOYSA-N	422.343	3.925	10	20	HHCD	
COCCOc1ccccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	920062289	SKHAVKSFLCIRTR-SFHVURJKSA-N	400.475	3.631	10	20	HHCD	
CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(N2CCN(C)CC2)c(F)c1	1252172590	MAXLFHSKOOINDZ-NRFANRHFSA-N	402.558	3.511	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2)CC1	1322006802	ARLPIGVWZWEJJV-FQEVSTJZSA-N	420.557	3.877	10	20	HHCD	
CCCCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nc2ccccc2c1=O	7180539	NSXCNRITPKQRED-UHFFFAOYSA-N	424.570	3.671	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2[nH]c(C(F)F)nc2c1	110740855	RIGCPBOPDWNSFF-UHFFFAOYSA-N	402.470	3.984	10	20	HHCD	
Cc1cc(C(=O)Cn2cccc([N+](=O)[O-])c2=O)c(C)n1-c1ccc(F)c(Cl)c1	303181988	YMLKNIVVXNSNLY-UHFFFAOYSA-N	403.797	3.839	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)cc1	303447484	BXIUJMXLMYOSPJ-HXUWFJFHSA-N	409.436	3.908	10	20	HHCD	
O=C(Nc1ccc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1)C1=S=CC=C1	437082667	KXDAWZVJADKWQV-UHFFFAOYSA-N	422.897	3.994	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@H](NC(=O)NCc3c(C)c4ccccc4n3C)C2)c1	471985394	LPPUYWKKABMPHV-KRWDZBQOSA-N	422.529	3.582	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cnn(CC(F)(F)F)c3)ccc21	532183309	NAGGVCAVUKTQPY-UHFFFAOYSA-N	408.424	3.593	10	20	HHCD	
CN(C[C@@H]1OCCc2ccccc21)C(=O)NCc1ccc(N2CCSCC2)cc1	725863916	KDOIGVSLISOTPK-QFIPXVFZSA-N	411.571	3.695	10	20	HHCD	
COC(=O)c1ccc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1	726627654	PZTIIAHEORWXMH-YVLHZVERSA-N	415.492	3.896	10	20	HHCD	
CC1(C)CN([C@@H](CNCc2cc([N+](=O)[O-])ccc2O)c2ccc(Cl)cc2)CCO1	728774491	IJBLYSHNJYODDE-IBGZPJMESA-N	419.909	3.896	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c1	728979329	UJQSQPWKCBGCMI-AWEZNQCLSA-N	403.500	3.608	10	20	HHCD	
COc1ncc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)cn1	734047319	RLGMZIFCKPROPO-UHFFFAOYSA-N	411.483	3.654	10	20	HHCD	
CN(C)C(=O)[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	734849885	ORVVGCSNEJQACL-HXUWFJFHSA-N	403.473	3.676	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)C(C)(C)c3cccc(Cl)c3)CC2)cc1	736554157	JZCJNNBHSWCTEL-UHFFFAOYSA-N	415.965	3.565	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(N2CCOC2=O)cc1	740910186	OWOCWGUGDUMQEA-KRWDZBQOSA-N	406.486	3.580	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1	741071251	YURDLXXHOYOYHJ-UHFFFAOYSA-N	416.547	3.712	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	741213878	IIMIKTRRKNCJGL-OAQYLSRUSA-N	414.594	3.617	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	741435395	RWTURGSJDJBEEN-XXBNENTESA-N	411.546	3.603	10	20	HHCD	
C[C@H](OCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799057	SYZNMZDVYVFSJY-WMZOPIPTSA-N	404.457	3.978	10	20	HHCD	
O=C(CCCc1nc(C2CC2)no1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799197	ILKAMSRDVANKMR-OAHLLOKOSA-N	420.460	3.656	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1	745409398	SAHMNQNTBOVIFR-RTBURBONSA-N	404.599	3.560	10	20	HHCD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	745861354	KPJPRNMXKPTPBD-QUCCMNQESA-N	412.486	3.615	10	20	HHCD	
O=c1ccc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)ccc2[nH]1	751126714	PRSMOYPTSJELES-UHFFFAOYSA-N	423.519	3.941	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1	753295315	SHXSMDWXIHMKSM-QGZVFWFLSA-N	400.544	3.500	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)CC1	753299535	RHOYTQLAPYYCEI-SFHVURJKSA-N	414.571	3.746	10	20	HHCD	
CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754541234	GBDJXAVYDDWFRO-FQEVSTJZSA-N	404.466	3.582	10	20	HHCD	
CC(C)Oc1ccc(N(C)CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1	759914922	KZLRAUGBQUIKRF-UHFFFAOYSA-N	412.458	3.545	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)cc(OC)c1OC	759987699	PILXQEWTVKCRKJ-UHFFFAOYSA-N	403.454	3.514	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnc([C@H]3CCCO3)s2)cc1	760310367	SIVBDXHQXXAAAN-RBUKOAKNSA-N	415.559	3.882	10	20	HHCD	
COC(=O)c1ccc2[nH]c3c(c2c1)CN(Cc1cc(Cl)cc(OC)c1O)CC3	761191919	FVBYNJBAYPTVHR-UHFFFAOYSA-N	400.862	3.880	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc([C@@H]4CC(=O)N(CC5CC5)C4)no3)ccc21	762289964	PLRJWJMVXIZWPH-GOSISDBHSA-N	408.502	3.680	10	20	HHCD	
CCOc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc(Cl)c1O	762584788	MXBSZMDFFPDGGX-AWEZNQCLSA-N	404.894	3.772	10	20	HHCD	
COc1ccc(OC)c(CCCNC(=O)NCc2cccc(Br)c2O)c1	764800654	QGTOUUQSWRAJQK-UHFFFAOYSA-N	423.307	3.604	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O	767171019	MMKGEUGBZYDCTE-JOCHJYFZSA-N	412.578	3.752	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1	768541911	AYEZGQDCVAQIKN-PXNSSMCTSA-N	421.557	3.930	10	20	HHCD	
C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	770173581	OWFOYASHELSDEZ-IBGZPJMESA-N	422.577	3.924	10	20	HHCD	
O=C(Cc1ccc(NCc2cc3c(cc2O)OCO3)cc1)N1CCc2ccccc21	770551682	WKIAWWVGLCJKIB-UHFFFAOYSA-N	402.450	3.865	10	20	HHCD	
C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cnc2ccccc21	771059361	PLRJAKHZIOMPGM-CRAIPNDOSA-N	412.921	3.737	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(F)cc2C(F)(F)F)SC1=S	771849381	GOVARBICTWMENP-GHXNOFRVSA-N	407.410	3.999	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCCOc1ccccc1	773757721	XPPUQGPZTRZDQS-QGZVFWFLSA-N	407.466	3.917	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1O	775021522	OEJHJQIOMQFCDF-CQSZACIVSA-N	411.380	3.696	10	20	HHCD	
COC(=O)c1cc2c(CNCc3cccc(Br)c3O)ccc(OC)c2o1	775151568	IGSXUVMLJGRJAH-UHFFFAOYSA-N	420.259	3.986	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC(c3nnc4n3CCCC4)CC2)ccc1N1CCCCC1	775996695	VCFORSNPSXMPKS-UHFFFAOYSA-N	424.549	3.893	10	20	HHCD	
CCCCOc1ccc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1Cl	785441337	FICAOWZFFCCJGF-UHFFFAOYSA-N	417.937	3.518	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)CC1	786258550	ZUGJRKYWAASLSY-NTEUORMPSA-N	419.569	3.982	10	20	HHCD	
COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(OC(F)F)c1	788832388	OIMNNMALBVWWMZ-AWEZNQCLSA-N	406.429	3.624	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc2c1OC(C)(C)C2	789559842	YCPCRWSXDLYKJP-UHFFFAOYSA-N	421.541	3.988	10	20	HHCD	
O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	789756075	HKVULCIKRWXGCA-UHFFFAOYSA-N	422.456	3.501	10	20	HHCD	
Cc1cc(C(=O)CN2CCn3cnnc3[C@H]2C)c(C)n1-c1cccc(C(F)(F)F)c1	792374632	BAAGTDIJUAUBIY-OAHLLOKOSA-N	417.435	3.964	10	20	HHCD	
Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	793857297	UILHCRRQWBTSRN-LBPRGKRZSA-N	401.308	3.962	10	20	HHCD	
Cc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1N1C(=O)CNC1=O	794268124	YRFKPKADMALFJI-UHFFFAOYSA-N	402.454	3.711	10	20	HHCD	
Cc1nc(/C=C/c2ccc3c(c2)CCN3Cc2ccccc2)nc(O)c1CC(=O)O	794715024	UREOCSKAISXHLH-CSKARUKUSA-N	401.466	3.851	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1O	796072012	IDPKCUZQEBSQJG-OAQYLSRUSA-N	412.505	3.837	10	20	HHCD	
O=C1CNC(=O)N1c1cccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1	796271225	RBFBBQVTLJDKAB-UHFFFAOYSA-N	412.493	3.918	10	20	HHCD	
CCOC1(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCC1	796727186	GHMZGELFVNCLMK-LJQANCHMSA-N	419.566	3.784	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc2nsnc12	799183718	ZUMJILJDWGNXCQ-UHFFFAOYSA-N	416.509	3.551	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ncnc3sc([N+](=O)[O-])cc23)cc1	804573773	OVRUESRLJFXMOE-MRXNPFEDSA-N	413.503	3.851	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2cc(OC)ccc2O)c(C)cc1Br	806739030	WWKLMAIRKZIFSC-UHFFFAOYSA-N	423.263	3.580	10	20	HHCD	
CCN(C)C(=O)c1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	806775494	CBXUVEGZISDIBL-HXUWFJFHSA-N	411.502	3.697	10	20	HHCD	
CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1	808526760	UIOXTCIIYSJRAA-UHFFFAOYSA-N	401.513	3.703	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)C[C@H]3CCCC(=O)N3)c2C)c1	808691064	PZHRXTRRKNXBBZ-MRXNPFEDSA-N	414.527	3.601	10	20	HHCD	
COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1	809540779	HXKAWWHFKYPSHP-UHFFFAOYSA-N	405.336	3.926	10	20	HHCD	
CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc2c(c1)CCN2Cc1ccccc1	809595547	MOXPCENINMVVKI-DMTNHVFBSA-N	405.586	3.933	10	20	HHCD	
Cc1cc(CCNC(=O)Nc2cccc3c2OCC(=O)N3)c(C)n1-c1ccccc1	810256487	ARLKEFMKKQKDRI-UHFFFAOYSA-N	404.470	3.789	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2noc(COC(C)C)n2)cc1F	811877898	UXVKZQBRRYDHHR-AWEZNQCLSA-N	407.490	3.540	10	20	HHCD	
CCOC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc([N+](=O)[O-])c1	914437732	JEFUESUMMZPCRN-UHFFFAOYSA-N	411.458	3.642	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2cnc(N3CCCCC3)s2)c(C)n1-c1ccccn1	914906136	LIIMFMBTOWQUDI-UHFFFAOYSA-N	424.526	3.976	10	20	HHCD	
O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(O)c(O)c1	916617578	JIFDMSLZTOKREO-TYGXQLQZSA-N	409.276	3.558	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(N2CCCCC2)nc1	916680814	AMICZQAOAQJJIK-UHFFFAOYSA-N	423.561	3.602	10	20	HHCD	
CC[C@H]1c2ccsc2CCN1C(=O)CN1CCCN(c2ccc(OC)cc2)CC1	917090016	UODGXBAFIGFSRR-NRFANRHFSA-N	413.587	3.805	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1Br	918303325	DKZPJRDZUGYVGS-UHFFFAOYSA-N	422.298	3.641	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCCc2ccc(F)cc21	918309071	UUZPQZOFGKTURW-UHFFFAOYSA-N	409.505	3.754	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(-c3cnco3)c2)cc1	919663615	NMVQYDKVLBCWDP-UHFFFAOYSA-N	406.486	3.785	10	20	HHCD	
C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)c1ccc(N2CCOCC2)cc1	920886181	BPVFWNBJKNGIOY-CQSZACIVSA-N	424.467	3.985	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cn3cc(C)c4ccccc43)cc2F)CC1	1116002595	RASGJIRVWAWVOG-UHFFFAOYSA-N	408.521	3.547	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccccc1CS(=O)(=O)NC(C)C	1116585237	UKFKKMBTYJMTHJ-QFBILLFUSA-N	402.560	3.867	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]4CCCC[C@H]4C3)cc2F)C[C@@H](C)O1	1317923763	IZAPOQKGGZPEJI-YHELAOLJSA-N	417.569	3.568	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C2=CCN(C(=O)OC(C)(C)C)CC2)cc1F	1328656517	IFVTZIOWLCELGW-UHFFFAOYSA-N	405.514	3.855	10	20	HHCD	
O=C1N[C@H](Cc2ccccc2Cl)C(=O)N1Cc1ccc(N2CCSCC2)cc1	1333568993	UIENJXCBGIULFX-LJQANCHMSA-N	415.946	3.556	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccn(C)c3)C2)cc1	1842346281	YVUSPEJPDCHRBW-UHFFFAOYSA-N	416.525	3.563	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)o1	7746394	VNKVIIXTCLONOJ-CQSZACIVSA-N	417.417	3.856	10	20	HHCD	
O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NCc1cccnc1	97575989	YJQOLFOAFWKMFF-LJQANCHMSA-N	408.527	3.533	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4sccc4C3)cc2F)C[C@@H](C)O1	108467782	IHMJATVSUUDGLA-GASCZTMLSA-N	403.523	3.769	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)[nH]n2)cc1	302997323	MHWKFBNEFBASGF-UHFFFAOYSA-N	404.514	3.524	10	20	HHCD	
O=S(=O)(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cccc2nsnc12	538495691	WELVRLNWYMTNAU-UHFFFAOYSA-N	409.452	3.695	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	726097422	KKWKOMHMROGDSF-LJQANCHMSA-N	416.566	3.733	10	20	HHCD	
COc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1OC	726566540	SEZUDQXICJBXAC-UHFFFAOYSA-N	406.429	3.704	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c(F)c1	727247583	DGCAKQRVBJWQOL-UHFFFAOYSA-N	424.450	3.833	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1F	731345878	MIBPEHKQIFOAIW-QFIPXVFZSA-N	424.520	3.517	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H](Cc1ccccc1)C1CC1	736667720	POOAGQIMRPUNHM-QFIPXVFZSA-N	411.521	3.607	10	20	HHCD	
CC[S@](=O)c1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800220	HCINRZUMSFJTOJ-HOLBHBGLSA-N	422.497	3.814	10	20	HHCD	
COc1ccc(N2CCN(Cc3csc(CC(=O)Nc4ccccc4)n3)CC2)cc1	744385292	VGYSDGMQTDGFOH-UHFFFAOYSA-N	422.554	3.655	10	20	HHCD	
CCS[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	748961952	SYQKETLUVLAMBQ-CTNGQTDRSA-N	405.608	3.759	10	20	HHCD	
CC(=O)OC1CCN(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)CC1	753189397	UAUOPNYMQQWAJC-UHFFFAOYSA-N	420.456	3.906	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1O	753318900	WMFGIZFELXQWCE-NJDAHSKKSA-N	409.530	3.501	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	756710047	SZABUQIKDULMDK-ZBEGNZNMSA-N	409.364	3.775	10	20	HHCD	
C[C@H](NCC1=CCN(C)CC1)c1cc(Br)cc(Br)c1O	756790930	PVZNRKPIRHQVAU-JTQLQIEISA-N	404.146	3.830	10	20	HHCD	
CCCCCOC1CN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C1	757972227	GVFIHONPBKUPTA-UHFFFAOYSA-N	418.244	3.670	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nn(C)c2ccccc12	760176096	YJBFHIDTSPHFHP-UHFFFAOYSA-N	417.307	3.773	10	20	HHCD	
C/C=C(/C=C\C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)CC	767660797	OOYWCAGZTUQIPF-LTBWSRNISA-N	418.509	3.511	10	20	HHCD	
Cc1nc(CN2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cs1	768223595	IMOXMPBGGJCWEV-UHFFFAOYSA-N	415.563	3.668	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)sc2C)cc1	768847911	GFIZTGNBBRFAMN-UHFFFAOYSA-N	411.486	3.898	10	20	HHCD	
C[C@H](NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1ccc(N2CCOCC2)cc1	771299409	ATYXZJRSTBPOSU-INIZCTEOSA-N	419.481	3.604	10	20	HHCD	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	772769993	QEUSCRNAZAXOLY-QPJJXVBHSA-N	410.253	3.620	10	20	HHCD	
COc1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	773212284	PJPJJWDLVYUATH-UHFFFAOYSA-N	414.845	3.815	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c1O	774844964	FXYAVLLKPXFKFJ-UHFFFAOYSA-N	414.437	3.903	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1cnn(C)c1	776197514	ULASKAKPOPAGCX-JOCHJYFZSA-N	409.509	3.946	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1	778925095	HHSLIGMJXLOEMN-CQSZACIVSA-N	423.296	3.573	10	20	HHCD	
CCOC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1ccc(OC)c(Br)c1	779179016	SFZJONSIDCIGJD-LJQANCHMSA-N	420.303	3.787	10	20	HHCD	
Cc1cc(C(=O)N2CC(n3cc([C@H](C)O)nn3)C2)c(C)n1-c1ccc(C(C)C)cc1	779567308	OLLIPPBMYAXAPO-KRWDZBQOSA-N	407.518	3.559	10	20	HHCD	
CCC1(CC)Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cc2O1	787885856	VRKOKZMWFGDCSZ-UHFFFAOYSA-N	411.502	3.603	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2cccc(OC)c2)cc1	788965297	DTSWFBVHBKSPNJ-JOCHJYFZSA-N	409.530	3.521	10	20	HHCD	
CCOC(=O)[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccc(O)c1	792175110	QVJSCPOASUARSY-NRFANRHFSA-N	413.474	3.685	10	20	HHCD	
O=C1NCCN(Cc2cccc(Cl)c2O)[C@@H]1c1ccc(OC(F)(F)F)cc1	792191351	YXEVRMXSZJUUIN-OAHLLOKOSA-N	400.784	3.617	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c1O	793349776	WOEOQDKMMNYUBG-LBPRGKRZSA-N	406.744	3.676	10	20	HHCD	
C[C@H](CCc1ccc(I)cc1)NC(=O)c1cc(O)cs1	795781551	MCAQEMXVKKBLGC-SNVBAGLBSA-N	401.269	3.809	10	20	HHCD	
CC[C@H](NCc1ccc(N(C)C)cc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1	795794251	FETPKHZUECUOLD-IBGZPJMESA-N	409.983	3.863	10	20	HHCD	
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	799238592	CGEQBHWFEVUWAG-IIBYNOLFSA-N	410.518	3.553	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccnc3Cl)cc2Cl)C1	800636243	HQFBHOWDVRFYDS-ZDUSSCGKSA-N	421.328	3.880	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cc(F)ccc43)cc2F)C[C@@H](C)O1	802005793	XAFYCGWJUQQUHT-GASCZTMLSA-N	401.457	3.851	10	20	HHCD	
COc1cc(OC)cc(C2(F)CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1	802183176	WHBVZRFFSCUXKF-GQCTYLIASA-N	401.434	3.616	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1	802474935	VQRUKJMDUGDQDH-NRFANRHFSA-N	409.530	3.548	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2nccc(C)n2)cc1	802610269	XWUPLTHPMMLKEX-UHFFFAOYSA-N	418.497	3.925	10	20	HHCD	
COc1cc(Br)cc(CNc2cc(F)cc(N3CCOCC3)c2)c1O	802643764	QDMCAAYMUARICX-UHFFFAOYSA-N	411.271	3.751	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	813807191	KQYYBKAQOGAURZ-LJQANCHMSA-N	416.566	3.684	10	20	HHCD	
Cc1c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cccc1-c1ncco1	815649896	BQMSBMOJTMICFI-UHFFFAOYSA-N	420.252	3.917	10	20	HHCD	
COC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	820267624	GOGCPNNOXGDQBF-FQEVSTJZSA-N	411.889	3.657	10	20	HHCD	
C[C@@H](C(=O)N[C@H](C)c1cc2ccccc2o1)N(C)Cc1ccc(N2CCOCC2)cc1	857758509	JACNCIWRQFDAMR-MOPGFXCFSA-N	421.541	3.967	10	20	HHCD	
COc1ccc(-c2csc(NS(=O)(=O)c3cccnc3Cl)n2)cc1OC	861522229	QIHNMEPMJLQKQQ-UHFFFAOYSA-N	411.892	3.677	10	20	HHCD	
Cc1cc(=O)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nn1-c1ccccc1F	914440379	YURYPWUDYSCVBC-UHFFFAOYSA-N	420.488	3.551	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)cc1	915320576	QSUQNNLMTILNRJ-UHFFFAOYSA-N	405.502	3.852	10	20	HHCD	
Oc1ccccc1CN(C[C@H](O)COCc1ccccc1Cl)C[C@H]1CCCO1	916632907	CBUFERMCFAAHCP-VQTJNVASSA-N	405.922	3.604	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccn1	916810898	ASCLRZXMDKOTFK-UHFFFAOYSA-N	423.416	3.627	10	20	HHCD	
O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCSCC2)cc1	917084187	XRGWYZQZSADYQD-UHFFFAOYSA-N	412.515	3.652	10	20	HHCD	
CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)cc1	917218693	VKCBMGSPVNAYTM-UHFFFAOYSA-N	402.497	3.960	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCSc2ccc(F)cc21	918199761	CRHCIHWVXFOHMJ-SFHVURJKSA-N	419.497	3.838	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	920890186	MKORMDMQENVIJY-NZQKXSOJSA-N	407.558	3.613	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(Br)c(C=O)n2C)cc1F	1319108264	KXWPEDGXTLCDIB-UHFFFAOYSA-N	410.287	3.515	10	20	HHCD	
Cn1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C(F)(F)F)c1	1320209395	JOWUSRSEHWSLIM-AWEZNQCLSA-N	415.843	3.797	10	20	HHCD	
CCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1ccc(OC)cc1OC	1320480353	NEPWCCYSNNJWQW-UHFFFAOYSA-N	401.526	3.617	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCCCOc3ccccc3)CC2)cc1F	1322433300	ORGKWJNOBSDGOC-UHFFFAOYSA-N	401.482	3.525	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)[C@H]3OCCc4sccc43)CC2)cc1	1326311500	NOCZCSQYLQBQNI-HRAATJIYSA-N	400.544	3.746	10	20	HHCD	
Cc1csc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)c1	1800712844	WWTAOMKZNOAHJR-BTTYYORXSA-N	420.918	3.687	10	20	HHCD	
COc1cc(NC(=O)c2ccco2)c(C(=O)NCc2ccc(N(C)C)cc2)cc1OC	7113833	YQXARNQGQNYACM-UHFFFAOYSA-N	423.469	3.545	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN(C)Cc3ccc4ccccc4c3)CC2)cc1	7274936	GEIMERMYLNZXFS-UHFFFAOYSA-N	403.526	3.629	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)Cn2cccn2)c(C)n1-c1ccc(OC(F)F)cc1	11117817	GHQQYWYQVVHKLN-OAHLLOKOSA-N	417.412	3.707	10	20	HHCD	
CCCCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1	11648507	OJYAMCAHBOZOSX-UHFFFAOYSA-N	412.515	3.909	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)c1C	60350326	LDEDXENVWHLPKH-UHFFFAOYSA-N	405.498	3.696	10	20	HHCD	
C[C@H](NC(=O)NCc1ncc(-c2ccccc2)o1)c1ccc(N2CCOCC2)cc1	65434157	SBTGBSJOXGOWBP-KRWDZBQOSA-N	406.486	3.739	10	20	HHCD	
O=C(NCCCSc1nccs1)C1CCN(C(=O)/C=C/c2ccccc2)CC1	97571934	PIKXZRNDFJXAHB-BQYQJAHWSA-N	415.584	3.694	10	20	HHCD	
O=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1ccc(N2CCOCC2)cc1	108805192	ISQDICUXNUJHTI-UHFFFAOYSA-N	420.509	3.843	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C(C)C)cc1F	116605341	LDGAVQHIQLZQGS-UHFFFAOYSA-N	415.509	3.520	10	20	HHCD	
O=C1CCCN1C[C@@H](NCc1cc2c(cc1O)OCO2)c1cccc(C(F)(F)F)c1	238138652	ARZXCHYNCFNDJQ-MRXNPFEDSA-N	422.403	3.593	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)ccc21	482574068	OSOIPXDKEISFRH-UHFFFAOYSA-N	423.513	3.624	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F	542014355	ICHCCWKWLKOQRH-UHFFFAOYSA-N	408.361	3.693	10	20	HHCD	
COc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c(C(F)(F)F)c1	551224734	PUXXILCGYGJIGC-UHFFFAOYSA-N	419.403	3.769	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1	726247964	VYMLYFDMATZBQD-OAHLLOKOSA-N	418.335	3.846	10	20	HHCD	
COc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(OC)c1	726566613	WHNFCGWWHJLBRW-UHFFFAOYSA-N	406.429	3.704	10	20	HHCD	
CC(C)C[C@H](C)CC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	727880272	FWCYGPWBNMMYBD-BZSNNMDCSA-N	422.541	3.671	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	730111639	VDGMHIHPBBUVJD-MRXNPFEDSA-N	404.555	3.587	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)c1	730220781	HJMOCOQMVQTENS-LJQANCHMSA-N	403.530	3.960	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2csc(I)c2)c1	730833140	IQFBIXNVAOPQLZ-QMMMGPOBSA-N	403.241	3.558	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2ccn(-c3ccccc3)n2)cc1F	731364210	ICLWGJDFUFJETB-UHFFFAOYSA-N	409.509	3.900	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C	734467761	BTWBJXPJNYWXDC-QHCPKHFHSA-N	420.557	3.542	10	20	HHCD	
Oc1c(Br)cccc1CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	734843325	JOJGSFRHQATNRD-ZBFHGGJFSA-N	404.226	3.779	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cnc(-c4ccccc4)[nH]3)cc2F)C[C@@H](C)O1	736070427	VQNYRXYCTQCXNA-HZPDHXFCSA-N	408.477	3.759	10	20	HHCD	
C[C@H](NC(=O)N(CCN(C)C)CC1CCCCC1)c1ccc(N2CCOCC2)cc1	738988996	HZXHJVDUWWDYOO-FQEVSTJZSA-N	416.610	3.738	10	20	HHCD	
Cc1nn(-c2ccccc2)c2ncc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc12	742952219	HBJIDPCBENYRDP-UHFFFAOYSA-N	413.481	3.834	10	20	HHCD	
C[C@@H]1CN(CCCNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@@H](C)O1	743341082	FOEWRVPSLIXBKO-WOJBJXKFSA-N	416.610	3.754	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2OC(F)F)cc1	743890924	FKNFRQWNFKNEFK-UHFFFAOYSA-N	409.408	3.528	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)c2C)cc1	744068791	CRYWFQZNIUDOQG-QHCPKHFHSA-N	417.509	3.634	10	20	HHCD	
CC[C@@H]1c2ccsc2CCN1C(=O)CN(CCOC)c1ccc(OC)c(OC)c1	746474126	BPFYWZSUSXNAKL-GOSISDBHSA-N	418.559	3.754	10	20	HHCD	
COc1cc2cc(C(=O)NCc3ccc4c(c3)CCCN4C)[nH]c2c(OC)c1OC	746880395	ZJOGMGIRRNUBBZ-UHFFFAOYSA-N	409.486	3.506	10	20	HHCD	
Cc1c(Cl)cc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1Cl	747017936	UKKKGRPVILMXON-UHFFFAOYSA-N	406.313	3.939	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC3CCN(C4CCCCC4)CC3)CC2)cc1	747593159	VZNQOXWCWJPLHA-UHFFFAOYSA-N	414.594	3.714	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1	751355363	DEQLBKKFVZRNMF-UHFFFAOYSA-N	403.500	3.621	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	756362739	LJSXZZMDELWIRF-GJZGRUSLSA-N	421.519	3.743	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1	756774036	DXNWHPLFEABHEK-WVFSVQOHSA-N	418.921	3.555	10	20	HHCD	
CC(=O)N1CC[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc21	757790045	JQHBZXQBVYKCOW-CTNGQTDRSA-N	423.513	3.581	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCCSc1nccs1	759546702	UMXZRTKFCGEUAW-UHFFFAOYSA-N	415.588	3.986	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H](C[C@@H](C)O)c3ccccc3)CC2)cc1	759572156	DIJCDCMSICHMHW-UYAOXDASSA-N	411.546	3.518	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(F)ccc1OC(F)F	760068227	LVOHSDRLMKATNQ-UHFFFAOYSA-N	413.371	3.725	10	20	HHCD	
C[C@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	762264481	ZUXXZULLIKUUKK-MGPUTAFESA-N	414.502	3.659	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COC/C=C\c3ccccc3)cc2F)C[C@@H](C)O1	763281588	NQUXQCWAEIHHRX-ZHHAWYBESA-N	412.505	3.786	10	20	HHCD	
COc1cccc(CNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)c1O	764102567	RAWIHCSEOMNSEI-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
O=C(Nc1cc(F)cc(Cl)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	764252206	HDAJYRIHWJMNLX-UHFFFAOYSA-N	402.809	3.945	10	20	HHCD	
Cc1ccc(N2CCOC2=O)cc1NC(=O)NCc1cccc(Br)c1O	765299992	ZOLXLCUVGRSOMJ-UHFFFAOYSA-N	420.263	3.741	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	765319961	DLSKMCUEQIGQFA-GGAORHGYSA-N	409.530	3.585	10	20	HHCD	
C[C@H](NC(=O)c1cccc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	770161202	XNSRMDMZKXVLHJ-HNNXBMFYSA-N	408.420	3.955	10	20	HHCD	
CC(=O)c1cccc(OCc2cc(C(=O)NCCCSc3nccs3)no2)c1	770752061	GICXTQOIXDNOLE-UHFFFAOYSA-N	417.512	3.825	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(-c2ccccc2)nn1	773276302	CHTSZUAINRXOSC-UHFFFAOYSA-N	421.476	3.566	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)sc1C	773284773	JLWPZLREILOSJT-OKILXGFUSA-N	412.552	3.596	10	20	HHCD	
C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	774818004	APGQGVJYLYRKLB-QGZVFWFLSA-N	421.520	3.860	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc4cc(OC)ccc4nc3Cl)CC2)cc1	775467621	OTMCWZGEFWFJME-UHFFFAOYSA-N	411.889	3.868	10	20	HHCD	
C[C@@H](Nc1ccccc1SCCC(N)=O)c1ccc(N2CCOCC2)c(F)c1	777679069	CNHROQNKJGTIIS-OAHLLOKOSA-N	403.523	3.803	10	20	HHCD	
CS(=O)(=O)c1cccc([C@H](NCc2cc(F)ccc2O)c2ccc(F)cc2)c1	779120799	MBBIKTWFMJOZHX-OAQYLSRUSA-N	403.450	3.953	10	20	HHCD	
COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3cc(F)ccc3O)c2C)c1	779614896	VIVZDPMXAXMXTQ-NRFANRHFSA-N	411.477	3.916	10	20	HHCD	
COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3cccc(OC)c3O)c2C)c1	779614921	VOGYJBLQEZQCEI-NRFANRHFSA-N	423.513	3.785	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3cc(C)c(C)cc3Cl)CC2)cc1	781154902	WJBBXFLCDYSUOD-UHFFFAOYSA-N	401.938	3.517	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1CCCN(C2CCC2)C1	781400138	DHAARGPQBGRQQR-JQVVWYNYSA-N	415.578	3.736	10	20	HHCD	
COC(CN(CCCO)C(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C)OC	787281652	UUDZTLPFUSIWGX-UHFFFAOYSA-N	402.535	3.661	10	20	HHCD	
CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	789984102	OWEPFEKZMDBPET-DENIHFKCSA-N	411.546	3.959	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3cc([C@H]4CCCOC4)nn3C)cc2)CC1	790546764	NOPCVHPVKXHFLG-IBGZPJMESA-N	411.550	3.872	10	20	HHCD	
C[C@@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccc(N(C)C)cc1	793561648	RNGAFFUZWWOUFO-GYCJOSAFSA-N	406.530	3.828	10	20	HHCD	
CO[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	796499734	FFNDLROFWFYWDW-LMKMVOKYSA-N	420.509	3.680	10	20	HHCD	
CN1CCN(c2ccc(/C=C\c3nc(-c4ccccc4)ncc3C(=O)O)cc2)CC1	799891580	GWMLBFZJYCXOPR-XFXZXTDPSA-N	400.482	3.764	10	20	HHCD	
Cc1ccc2ncc(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)c(=O)n2c1	800048596	GHRWISAIGISLIN-OAHLLOKOSA-N	424.932	3.823	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1	802274332	YNLZCIILFISQLU-INIZCTEOSA-N	417.456	3.788	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(Br)c1Cl	802556104	MHFZJBKVPCGOEM-UHFFFAOYSA-N	424.726	3.732	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1	802610351	VRDPPSBBFDIPJD-UHFFFAOYSA-N	410.392	3.900	10	20	HHCD	
CN(C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1cccc(F)c1	806308390	SMLXOFUIXRLPML-INIZCTEOSA-N	400.281	3.940	10	20	HHCD	
COC(=O)CCc1csc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1	806359402	YLEWKHGESARZJM-UHFFFAOYSA-N	404.275	3.583	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1ccc(N(C)C)cc1	807674699	POIKBACIGZSTPS-CYBMUJFWSA-N	408.329	3.895	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCCS3)cc2Cl)C1	807954394	QQJFXVUTTNBUDY-WBVHZDCISA-N	424.010	3.594	10	20	HHCD	
COC[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	808373264	RFLMJKWRXFJNLW-OAQYLSRUSA-N	417.937	3.706	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccco1)c1ccccc1OC	808778744	FYDAZDZQHMAEBY-JOCHJYFZSA-N	422.481	3.638	10	20	HHCD	
C[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(F)(F)F	809300445	LQBXFEBUXHSSEQ-LZUGORFDSA-N	408.492	3.797	10	20	HHCD	
COc1cc(O)c(CN(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc1OC	809736597	AYJOQZQKRFIBOX-UHFFFAOYSA-N	412.452	3.992	10	20	HHCD	
CCN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCOC(C)(C)C1	810042227	OBFUEKRUTQIDNN-MRXNPFEDSA-N	420.509	3.680	10	20	HHCD	
CC1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]1[C@H]1CCCO1	812067001	JCGMSPTWOVJPJJ-LZQZEXGQSA-N	423.504	3.856	10	20	HHCD	
C[C@H](NS(=O)(=O)CCc1ccccc1Br)c1ccc(N(C)C)cc1	812507505	TVAIJHDCCUZNEZ-AWEZNQCLSA-N	411.365	3.738	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1OCCc2sccc21	814319774	QMETXTGIWZRACE-QRWLVFNGSA-N	402.585	3.868	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCC1CC(F)(F)C1	816790371	WLZUKXITBBWVCO-NTUHNPAUSA-N	416.540	3.891	10	20	HHCD	
Cc1ccc([C@](O)(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C(F)(F)F)o1	914438498	BETUKHMDFXZLSB-HXUWFJFHSA-N	410.436	3.985	10	20	HHCD	
Cc1nc(COc2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)no1	914439907	PYKSAORCYJMQRF-UHFFFAOYSA-N	406.486	3.828	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccccc1Br	916732304	GDEVVHKDRVFCTO-UHFFFAOYSA-N	417.347	3.877	10	20	HHCD	
O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)c(F)cc2N1	917840438	FIBJEERMBWZIAT-UHFFFAOYSA-N	403.460	3.635	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3csc4ccccc34)cc2)C1	918012796	LVAZQRBWGZRVBT-KRWDZBQOSA-N	422.554	3.602	10	20	HHCD	
CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918217641	HQRQETJYZLURNU-UHFFFAOYSA-N	423.435	3.605	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1cc2c(s1)CCCC2	918223679	HJQYCENRTAEOFP-UHFFFAOYSA-N	403.523	3.602	10	20	HHCD	
O=C1NCCN(Cc2ccc(N3CCCC3)cc2)[C@H]1c1ccc(Br)cc1	1116878942	JQTHYKYABMZSOM-FQEVSTJZSA-N	414.347	3.722	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@@H]2CCCC[C@@H]2C1	1253364053	VFRGTMOIKCBHGY-LSDHHAIUSA-N	420.556	3.907	10	20	HHCD	
C[S@@](=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	1318899069	JXJGFVXKPQWXBR-PEGYKEAPSA-N	423.485	3.816	10	20	HHCD	
O=C(CCc1ccc2c(c1)CCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1319044727	DRAMQBGKBWDCSK-SFHVURJKSA-N	416.468	3.941	10	20	HHCD	
COC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1	1800512119	LQSJRWGLDFUBDW-QQFNCUIESA-N	423.557	3.771	10	20	HHCD	
Cc1occc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	5398531	DASWDIXOKFWRQA-CYBMUJFWSA-N	403.390	3.547	10	20	HHCD	
CCCCOc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC	302761038	JIEIAXVXRCVDKD-UHFFFAOYSA-N	412.530	3.983	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(Br)cc1	303353916	YZXHBEGPIRBTTA-UHFFFAOYSA-N	418.335	3.627	10	20	HHCD	
O=C(c1ccc(CNCc2cc(-c3ccccc3)ccc2O)cc1)N1CCOCC1	725848640	ZYHNFVIMHXTBNM-UHFFFAOYSA-N	402.494	3.821	10	20	HHCD	
Cc1cc(C(=O)NCC(=O)N2CCc3ccccc3C2)c(C)n1-c1ccc(F)cc1	726560180	HTVYIVQRQOXKCA-UHFFFAOYSA-N	405.473	3.548	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(C)n(-c4cc(C)on4)c3C)CC2)cc1	726561430	VWLCQTTYSZCWIE-UHFFFAOYSA-N	408.502	3.798	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1COc2ccccc2C1	726565742	SAPAWSAULZDQRP-INIZCTEOSA-N	402.441	3.624	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C	726603426	HCIJUSWIPCFZNS-UHFFFAOYSA-N	410.486	3.852	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C(=O)c2ccc(Cl)cc2)cc1	727103914	OSTVICRXBUTYGT-FQEVSTJZSA-N	400.906	3.797	10	20	HHCD	
CC(C)N(Cc1ccccc1F)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	729048608	CKMBFRJLBQIRDE-UHFFFAOYSA-N	403.473	3.922	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)Cc3ccccc3C)cc2F)CC1	730119990	XFCNKRHJRABWQG-IBGZPJMESA-N	412.553	3.706	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3csc(-c4ccoc4)n3)cc2F)CC1	730969331	ITLPKMLGYOQYHW-UHFFFAOYSA-N	414.506	3.614	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@H](CO)Cc3ccc(F)cc3)cc2)CC1	731120743	AWQVZXUZEMGBKL-OAQYLSRUSA-N	413.537	3.712	10	20	HHCD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	732249311	ODJNWMOVLWCEDU-HXUWFJFHSA-N	416.610	3.565	10	20	HHCD	
COCCN(C(C)=O)c1nc(CN2CCCc3cc(OC(F)F)ccc32)cs1	733794495	QYHSFNFRXSFKRL-UHFFFAOYSA-N	411.474	3.697	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1	734016801	HROFLUHNFMCJPK-UHFFFAOYSA-N	403.529	3.739	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(C(=O)N2CCSCC2)c1	734652067	SBWYQQMULNCCIS-UHFFFAOYSA-N	412.559	3.572	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(N=c2cc[nH]cc2)cc1	735852320	CSEAWBKDJQXRDO-UHFFFAOYSA-N	404.539	3.730	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	741177868	RNMZOIHVYOZIND-HXUWFJFHSA-N	402.583	3.567	10	20	HHCD	
C[C@H](Oc1cccc(Br)c1)C(=O)NCCCSc1nccs1	742075085	RWBAGCCIWYRPFZ-NSHDSACASA-N	401.351	3.972	10	20	HHCD	
O=C(COCCc1ccccc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799999	FCYDEWYUWMZUMR-SFHVURJKSA-N	404.457	3.632	10	20	HHCD	
COc1cc(OC)cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742802531	YVRMBFHANRXNHI-HNNXBMFYSA-N	406.429	3.704	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	748320186	FJPFLHXLHCORCX-QFIPXVFZSA-N	418.465	3.863	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2nccn2CCCc2ccccc2)cc1F	751611213	CKGMFVONJPMYGH-UHFFFAOYSA-N	409.509	3.720	10	20	HHCD	
O=C(C[C@H]1CSCCS1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	752016746	UEAGVTBBMQXAIC-BBRMVZONSA-N	402.532	3.612	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C	752667537	AGSGXXXBZLWPCW-SJORKVTESA-N	404.555	3.506	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)nc4onc(C(C)C)c34)CC2)cc1F	753742642	UNYJLGGVGHNUQI-UHFFFAOYSA-N	412.465	3.765	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	754127429	IWANZTZOJUUPAI-UTRMSSBJSA-N	421.488	3.514	10	20	HHCD	
CN(C(=O)NCCCSc1nccs1)[C@H]1CCN(c2ccccc2Cl)C1=O	759588908	FTCMBLBLTWLXOS-HNNXBMFYSA-N	424.979	3.726	10	20	HHCD	
COc1cc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)cc(OC)c1OC	759886244	KORTWOOGDNUCSC-UHFFFAOYSA-N	415.515	3.751	10	20	HHCD	
CN(CCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1	761146975	GAFVCZYQUNIRKA-UHFFFAOYSA-N	401.894	3.726	10	20	HHCD	
C[C@]1(c2ccccc2)NC(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O	761636827	QWBKCORLGLBTIB-VGOFRKELSA-N	415.440	3.724	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)COc3ccccc3Br)CC2)cc1	763572285	SASUEDKHMSHXKP-UHFFFAOYSA-N	419.319	3.622	10	20	HHCD	
COc1ccc([C@@H](CCO)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	764398782	BABVRRIPPJRHNX-HSZRJFAPSA-N	411.546	3.854	10	20	HHCD	
O=C(Nc1cccc(OCC(F)F)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	765322778	DCMQRXJEUMEUTR-HNNXBMFYSA-N	407.417	3.644	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CCCc2sccc21	768259085	YGCCZMBYHFGXOP-SFHVURJKSA-N	403.523	3.725	10	20	HHCD	
CC(C)(CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccncc1	768950278	OOIYUJLHFWUMRQ-KRWDZBQOSA-N	418.488	3.929	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1)c1ccc(N(C)C)cc1	773847037	MISFFELNOJPWJA-QGZVFWFLSA-N	415.493	3.800	10	20	HHCD	
COc1ccc([C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C(F)(F)F)cc1	775989288	GVXGWIXVKSIAIT-LJQANCHMSA-N	423.435	3.635	10	20	HHCD	
C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2)c1ccc(N(C)C)cc1	776249882	RNMUTFNJDPZAJG-UXPWSPDFSA-N	416.566	3.997	10	20	HHCD	
CN(C)CCOc1ccc(/C=C/C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	776677062	SMUHYNYSHNDVKA-UDFXALJUSA-N	424.541	3.554	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCc1ccc(Cl)cc1[N+](=O)[O-]	779363909	JXWWCQBJVOKUQX-UHFFFAOYSA-N	400.913	3.729	10	20	HHCD	
COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)/C=C\c2ccc(O)c(O)c2)c1	779543865	YQMDSSDYDLJHSH-JVCIDUABSA-N	419.477	3.882	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=S)NCCc3ccc(F)cc3)cc2F)C[C@H](C)O1	789193939	LPIGGDRZERVQNA-HOTGVXAUSA-N	419.541	3.785	10	20	HHCD	
CCc1nn(C)c(CC)c1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	792530515	PCOMMZHERBKFID-UHFFFAOYSA-N	401.466	3.502	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1	792791352	BVXGBKQDCMPANB-UHFFFAOYSA-N	402.539	3.509	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(CCO)Cc3cccnc3Cl)c2C)cc1	794331003	XNQPTAZRPVYDFY-UHFFFAOYSA-N	413.905	3.786	10	20	HHCD	
Cc1ccc2c(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)csc2c1	794995766	BPCKOIZUPUCWMI-KRWDZBQOSA-N	407.539	3.841	10	20	HHCD	
C[C@H](NS(=O)(=O)c1csc2ccccc12)c1ccc(N2CCOCC2)cc1	795809964	VKCSETSNEZNWLF-HNNXBMFYSA-N	402.541	3.777	10	20	HHCD	
CCOC(=O)Cc1cccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1	795852258	KEEWNUIGFVQFQZ-UHFFFAOYSA-N	417.527	3.631	10	20	HHCD	
C[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1	797112427	GXSLBTJOZXBYET-HNAYVOBHSA-N	403.464	3.730	10	20	HHCD	
CC(C)[C@H](NC1CCOCC1)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800696331	OVTALTOYWUEPJT-VGSWGCGISA-N	422.013	3.986	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C	801545163	IKBFJULVLKCDCT-UHFFFAOYSA-N	416.543	3.584	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H](C)c3ccccc3F)cc2)CC1	805025294	PKBHQMFOCIEIBT-SFHVURJKSA-N	411.521	3.898	10	20	HHCD	
CC[C@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1O	806148904	ZEWYZPFDLBDMAG-INIZCTEOSA-N	407.363	3.696	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)cc(C(=O)OC)cc1Cl	807006975	XAORUMGHYWJZFA-UHFFFAOYSA-N	418.877	3.518	10	20	HHCD	
CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	807702434	VMHPCAMEUZTCDK-PMACEKPBSA-N	405.608	3.670	10	20	HHCD	
Oc1cc(OCc2ccccc2)ccc1CNCCn1cc(Br)cn1	809709698	GWBZDSAMBRISMU-UHFFFAOYSA-N	402.292	3.720	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCN(CCC(F)(F)F)CC3)cc2F)C[C@@H](C)O1	812824756	JYRYWKIBAHCBQU-IYBDPMFKSA-N	417.491	3.946	10	20	HHCD	
COC(=O)N1CCN(c2ccc(N[C@H](C)c3cc(Cl)cc(C)c3O)cn2)CC1	815655301	NWFWFDFTJIVDAC-CQSZACIVSA-N	404.898	3.811	10	20	HHCD	
CO[C@@H]1CCC[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)C1	815710870	XWCMQCLERONYSM-DFQSSKMNSA-N	419.566	3.640	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3scnc3C(F)(F)F)cc2F)C[C@H](C)O1	816891010	FWXQFDBPPVLVGO-QWRGUYRKSA-N	417.428	3.845	10	20	HHCD	
CC[C@@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	857758617	ODADTAHHDGIFFM-JOCHJYFZSA-N	415.965	3.876	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c(C)n1-c1ccc(F)cc1	914759022	FKKKYIRUGGNEJR-UHFFFAOYSA-N	420.444	3.537	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)c3ncccc23)cc1	917651779	ZODYZJLYCADRTP-UHFFFAOYSA-N	413.543	3.910	10	20	HHCD	
CN(c1ccccc1)c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1	917709095	PVDGIKRKWIUYHY-UHFFFAOYSA-N	420.488	3.755	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCc2ccccc2C1	918070937	FVMRQPHJCKMDCI-IBGZPJMESA-N	406.574	3.873	10	20	HHCD	
C[C@@H]1CCC[C@](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)(N(C)C)C1	919658430	OSHRSBRYGOGBFA-RFWXGWTQSA-N	403.567	3.593	10	20	HHCD	
C[C@H](Cc1ccc(O)cc1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	919912395	GGCPZHOTWOSHNN-BRWVUGGUSA-N	415.509	3.575	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1	920251799	RXJUEAFNMIGLLA-BUHFOSPRSA-N	421.541	3.836	10	20	HHCD	
Cc1cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c(C)n1C[C@H]1CCCO1	920471392	AEWRFIZXPVNWEV-GEBKJHSDSA-N	419.616	3.579	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCCc3ccc(OC)cc3OC)CC2)cc1	1319734011	ROIMOOHKWIYMIV-UHFFFAOYSA-N	412.530	3.774	10	20	HHCD	
C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1ccc(N(C)C)cc1	1321350898	VRHYUYGVVKLPON-GFCCVEGCSA-N	415.328	3.835	10	20	HHCD	
CC(C)c1noc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1	1322648820	QCSAXSRQNWTSBE-UHFFFAOYSA-N	411.506	3.807	10	20	HHCD	
CCCCN1C(=O)C[C@H](C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1c1ccc(OC)cc1	22694424	HZPTZYFUNIFQOV-UPVQGACJSA-N	423.557	3.767	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1-n1cccc1	22989210	CJYFZPYGVYNBGJ-UHFFFAOYSA-N	405.498	3.667	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nncn3CCOC)c2C)cc1	23428726	HHWPVOLXUAPTLP-UHFFFAOYSA-N	414.531	3.706	10	20	HHCD	
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65698357	RZUXQBSLXMMMMA-LJQANCHMSA-N	409.530	3.991	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(I)c1	113424781	XVPIQPCVZJFKPN-UHFFFAOYSA-N	400.285	3.691	10	20	HHCD	
CCCc1ccc(-c2cc(NCc3ccc(N4CCOCC4)cc3)n(CCO)n2)cc1	236980667	AOZWGCJOTSQOSJ-UHFFFAOYSA-N	420.557	3.944	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCc2ccc(-c3ccco3)cc2F)n(C)c2ccccc12	572395175	DMAJTBIVTQONMT-UHFFFAOYSA-N	419.456	3.818	10	20	HHCD	
Cc1[nH]c2ccccc2c1C1=CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1	589586580	VSIHEHKDROVQLB-UHFFFAOYSA-N	417.469	3.869	10	20	HHCD	
Cc1onc2c(=O)n(CN(C)Cc3ccc(N(C)C)cc3)nc(-c3ccccc3)c12	725766520	WRAKBLQPINGWHH-UHFFFAOYSA-N	403.486	3.515	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1	725864946	TUGSDPITFBVRND-LJQANCHMSA-N	416.566	3.733	10	20	HHCD	
Cc1noc(Cl)c1CCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566146	QWJXFKGWXZPZSD-UHFFFAOYSA-N	413.852	3.956	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2c2cccc(OC)c2)c1	726797073	ZLSISGBCGCCLMC-OAQYLSRUSA-N	404.422	3.959	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1F	728584175	XYXHEDKBILBSEE-UHFFFAOYSA-N	422.522	3.668	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cc(Br)ccc2OC)c1	728952053	KDFJEUVQRHMDJL-NSHDSACASA-N	409.280	3.732	10	20	HHCD	
O=C(COC(=O)C1(C(=O)NC2CC2)CC1)Nc1ccc(N=Nc2ccccc2)cc1	729716542	TXOZWLKKYBINPG-UHFFFAOYSA-N	406.442	3.643	10	20	HHCD	
Cc1nnnn1-c1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731109933	TYTWZJXQSWRWJT-UHFFFAOYSA-N	405.506	3.529	10	20	HHCD	
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cccc(N2CCCC2)c1	732525752	GBQFJXFUDXKALV-UHFFFAOYSA-N	415.559	3.960	10	20	HHCD	
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2	743719619	LOLTVLHHXMLGHN-GFCCVEGCSA-N	404.850	3.916	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnn(Cc2ccccc2)c1	746701588	DZYKBOBLAJXJJH-UHFFFAOYSA-N	412.559	3.597	10	20	HHCD	
CC(C)OCCN1CCC(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	747591820	SXZLCQUFEGOOJB-UHFFFAOYSA-N	416.610	3.708	10	20	HHCD	
CN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748009302	FOTGIOICRCBXIB-UHFFFAOYSA-N	402.497	3.527	10	20	HHCD	
C[C@@H](NC(=O)NC[C@H]1SCCc2ccccc21)c1ccc(N2CCOCC2)cc1	749563660	ZSBGOXXKCCTCPL-VGOFRKELSA-N	411.571	3.914	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(O)nc3c(Br)cccc23)c1	750236352	QEVPYWJDLNRKRT-SNVBAGLBSA-N	417.259	3.908	10	20	HHCD	
O=S(=O)(c1c(Cl)nc2sccn12)N(Cc1ccccc1O)C1CCCC1	751356828	WICLSHCGHNUZAD-UHFFFAOYSA-N	411.936	3.888	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(=O)n(-c2cccc(F)c2)c1	751360052	CRNYQUMGMZSQOY-UHFFFAOYSA-N	405.473	3.897	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cnn(-c2ccccc2F)c1	755835927	AHOSNXMZPXIWMV-UHFFFAOYSA-N	423.492	3.542	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(C2CC2)C1)c1cc(Br)cc(Br)c1O	756531860	AJDVCKAYEKSTFN-MWLCHTKSSA-N	404.146	3.805	10	20	HHCD	
CC(=O)N1CC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc21	757790049	JQHBZXQBVYKCOW-PZJWPPBQSA-N	423.513	3.581	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(-n3ccnn3)cc2)cc1	760327385	APCACMFVYPCNBN-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
COCCn1cc2c(n1)[C@H](N[C@H](C)c1cc(Br)cc(F)c1O)CCC2	760891436	ITFSWCIQMCXLGH-BDJLRTHQSA-N	412.303	3.865	10	20	HHCD	
C[C@@H](c1cccc(-n2cccn2)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761321348	PSQZCCKCJXTVJW-AWEZNQCLSA-N	410.861	3.757	10	20	HHCD	
CCCOc1ccc(CNC(=O)NCc2cc(OC)ccc2O)c(OC(F)F)c1	761690429	LHORKUQJGDGXQU-UHFFFAOYSA-N	410.417	3.790	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)Nc2nnc(-c3ccco3)o2)c(C)n1-c1ccc(F)cc1	762820623	ADBAFGNJPOFAFS-UHFFFAOYSA-N	424.388	3.672	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)nnn1Cc1ccc(F)cc1	767757412	ZTDKDMGRDKLZJW-UHFFFAOYSA-N	407.493	3.694	10	20	HHCD	
CC(C)N(Cc1ccccn1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	768932000	YMBGWQZXLTWHSD-QZTJIDSGSA-N	414.525	3.955	10	20	HHCD	
O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N(Cc1ccco1)Cc1ccccc1O	769243304	YRLMLCUNWBMFQF-DYESRHJHSA-N	402.516	3.752	10	20	HHCD	
CCOc1ccc(CN2CCN(Cc3csc([C@H](C)OCC)n3)CC2)c(O)c1	769501853	DQPIESOVFMZPSY-INIZCTEOSA-N	405.564	3.663	10	20	HHCD	
CN(C)c1ccccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769685102	BKJUEDPYTBRYSQ-UHFFFAOYSA-N	417.512	3.573	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCSCC(F)(F)F	770290373	ZDRKQDWJWAKUKM-UHFFFAOYSA-N	415.275	3.982	10	20	HHCD	
COC(=O)C[C@@]1(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CCCOC1	771657450	MMXKOXPATBLKRF-NRFANRHFSA-N	404.894	3.590	10	20	HHCD	
Cc1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1	771661800	VFOFALGDHFCYTQ-UHFFFAOYSA-N	416.997	3.893	10	20	HHCD	
COc1c([N+](=O)[O-])ccc([C@@H]2N(Cc3ccco3)C(=O)c3ccccc3N2C)c1O	772179595	VNYBPHKRMWIIAQ-FQEVSTJZSA-N	409.398	3.693	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O	772230308	INUGZMPNSGZKCP-WMZOPIPTSA-N	419.447	3.776	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(N(C)C)cc1	773243211	LLYLGFCGYSKISN-HOTGVXAUSA-N	402.489	3.918	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1O	774842779	ZPPPKCIJMSYYHK-UKRRQHHQSA-N	409.483	3.577	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CNC1(c2ccc(Br)cc2)CC1	775192220	PTDIKNCAYUNZFC-UHFFFAOYSA-N	416.363	3.752	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc(Br)cc(C(=O)O)c2)c(C)c(C)c1O	775292287	XNHVOSWFTJQFHL-UHFFFAOYSA-N	414.277	3.579	10	20	HHCD	
C[C@H](NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1	775405049	QBUAJZLCPANENW-AWEZNQCLSA-N	423.904	3.939	10	20	HHCD	
COc1ncc(/C=C\C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cn1	775849989	NMVDDGFMEAYESM-DAXSKMNVSA-N	409.467	3.565	10	20	HHCD	
Cc1cc(Br)cc(CNc2ccc3oc(=O)n(CCN(C)C)c3c2)c1O	777494458	QWABHEQNLKVSBU-UHFFFAOYSA-N	420.307	3.545	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(F)c(F)cc1Cl	777827401	AGOIFSZSZATNHE-UHFFFAOYSA-N	404.196	3.793	10	20	HHCD	
CCc1nc(C)c(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1	778177583	GDWKRCMOYSJCHJ-UHFFFAOYSA-N	421.434	3.950	10	20	HHCD	
COC(=O)[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(OC)cc1	779178103	IDYBTXDXVHNEDB-NRFANRHFSA-N	413.474	3.598	10	20	HHCD	
CCOC(=O)[C@@H](NCc1cc(Br)ccc1O)c1ccc(OC)c(F)c1	779186432	PCTBJPBAKLQRSF-KRWDZBQOSA-N	412.255	3.696	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(CN2CCc3ccccc32)cc1	779475995	OXONCAOFNUYNIG-BENRWUELSA-N	400.478	3.990	10	20	HHCD	
CC(C)c1nc([C@H]2COCCN2Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)no1	779616447	SEKMMBIYIDEHGN-LJQANCHMSA-N	415.494	3.665	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	780481868	BSHFQDVQWFGESK-IBGZPJMESA-N	414.550	3.652	10	20	HHCD	
Cc1ccc(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)c(O)c1O	780928542	HWHLPMJFDOANFQ-UHFFFAOYSA-N	402.447	3.562	10	20	HHCD	
CC(=O)Nc1ccc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	780934783	BINUIOURKWQHIB-IBGZPJMESA-N	415.921	3.707	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCN(C2CCC2)C1	781361590	AYNDZTHBGHFNGQ-UYAOXDASSA-N	416.635	3.692	10	20	HHCD	
COc1cc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)ccc1F	781580438	LWGIDLOBAYTSPZ-UHFFFAOYSA-N	422.459	3.655	10	20	HHCD	
COc1ccc(N2CCCN(Cc3noc(-c4ccc(F)cc4F)n3)CC2)cc1	781884711	NPFWFQOOOBTJLU-UHFFFAOYSA-N	400.429	3.736	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CCC(c2ccccc2)CC1	787318179	GKTCEQBLZGTZKA-UHFFFAOYSA-N	407.558	3.944	10	20	HHCD	
CCC1(CC)Oc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2O1	787895843	MCXFBSXOWLWDJC-OAHLLOKOSA-N	411.502	3.856	10	20	HHCD	
Cc1c([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)oc2ccccc12	788910580	MFJBWBSTTVPGOH-QGZVFWFLSA-N	405.498	3.835	10	20	HHCD	
COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1SC	792703017	NVTROCJQMIJMFJ-NSHDSACASA-N	417.936	3.982	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl	794803709	SGEHEJMXAPOJHN-LBPRGKRZSA-N	416.374	3.866	10	20	HHCD	
Fc1cc(CNCc2ccc3occc3c2)ccc1N1CCN(c2ncccn2)CC1	796275781	OYVWPLZBCMABIK-UHFFFAOYSA-N	417.488	3.978	10	20	HHCD	
COC(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)ccn1	800571325	ILTDCLNHLGGWST-AWEZNQCLSA-N	401.894	3.688	10	20	HHCD	
COc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1C	801993346	RHQZOQMGPJFRIJ-OAQYLSRUSA-N	422.529	3.596	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1	802609678	HLJSJGHSYPCLEF-UHFFFAOYSA-N	420.513	3.962	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(CC(C)(C)C)CC(C)(C)C)c1ccc(N2CCOCC2)cc1	803299425	LEOVCVJWMVVJBI-GOSISDBHSA-N	417.594	3.621	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1	807100299	IIZQDERTQRCOSU-FQEVSTJZSA-N	418.541	3.565	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)c1	810347385	BXVOFWREQIZELE-GFCCVEGCSA-N	418.287	3.641	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](O)c2ccc(Cl)cc2F)cc1	813428963	AABFEDUNXZNGCD-RXVVDRJESA-N	420.912	3.786	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ncoc2C2CC2)c(C)n1-c1ccc2c(c1)OCCO2	815323540	ILLKPLYZUWWBNH-UHFFFAOYSA-N	422.437	3.770	10	20	HHCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@@H](N1CCOCC1)C(F)(F)F	815625907	PTLYJXBBFXEVTN-TZIWHRDSSA-N	408.464	3.919	10	20	HHCD	
Oc1ccc2ccncc2c1CN1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	835024477	UEHSYAKFEMLZLB-UHFFFAOYSA-N	409.358	3.958	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	914479790	FMAIMANDUYFQDZ-UHFFFAOYSA-N	421.570	3.925	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1C(N)=O	914792012	YYBQBJOVZRFXRB-UHFFFAOYSA-N	413.524	3.507	10	20	HHCD	
Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)cccc1[N+](=O)[O-]	914907147	RQARHEZCLYTHCC-MRXNPFEDSA-N	422.441	3.890	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(OC2CCCC2)cc1	914951146	DDFSUAJWZPZFMW-UHFFFAOYSA-N	410.514	3.889	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(OC(F)F)cc1	916668514	ASZCICDWDFPKRS-UHFFFAOYSA-N	409.408	3.710	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1=O	917635002	GAXJUNFQKNJBDO-OAQYLSRUSA-N	413.468	3.719	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCC3(N(C)C)CCCCCC3)CC2)cc1	918006774	FNNQNUMFKKMMRM-UHFFFAOYSA-N	402.583	3.572	10	20	HHCD	
CNC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl	918046762	JSTXRRUFMAHVQT-MRXNPFEDSA-N	417.893	3.618	10	20	HHCD	
CO[C@@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1	918203027	UKVGDYYIYQEUEV-JKSBSHDWSA-N	415.509	3.626	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3csc(-c4ccco4)n3)cc2F)CC1	1318301116	BCFVYZYOXPJMES-UHFFFAOYSA-N	414.506	3.614	10	20	HHCD	
OC[C@@H](CNCc1ccc(N2CCCC2)cc1)Cc1cccc(Br)c1	1320789090	RULVPCKZUUUXED-LJQANCHMSA-N	403.364	3.990	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)c1	1324017258	VLGUKEKPSQVHQQ-NRFANRHFSA-N	406.910	3.570	10	20	HHCD	
C/C=C(\C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)C1	1781754537	ZSHMJNXDQBBGMR-YKNMIAOYSA-N	421.541	3.504	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)c1ccc2nnc(-c3ccccc3F)n2n1	301959155	ORNGHAKYTWPPRS-KRWDZBQOSA-N	419.460	3.822	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(C(=O)NC4CC4)c3)ccc21	482958152	MPNGJSNDPWKLKK-UHFFFAOYSA-N	419.525	3.727	10	20	HHCD	
Oc1ccc(Br)cc1CNC[C@@H](O)c1ccc(OC(F)(F)F)cc1	725850239	UBJBFFBZSPTUBQ-OAHLLOKOSA-N	406.198	3.877	10	20	HHCD	
CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)n(-c2ccccn2)c1C	726946482	NLXNJRNTFQZTGA-JOCHJYFZSA-N	418.541	3.699	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	734665768	ROROBCKGIDRAIG-HKUYNNGSSA-N	418.582	3.896	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC[S@](=O)Cc2ccccc2)cc1	735107445	HOJSVKZRXIZSJY-NDEPHWFRSA-N	401.576	3.623	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C[C@H](C)O)CC2)c(C)n1-c1cc(Cl)cc(Cl)c1	739390840	DPCRAKJTLPDECP-HNNXBMFYSA-N	424.372	3.582	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c(C)n1-c1ccccn1	741235665	UBFHJUXBMSTYKX-WMZHIEFXSA-N	418.541	3.508	10	20	HHCD	
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-]	742800879	VRWBRWCDEDLUOY-OAHLLOKOSA-N	405.401	3.903	10	20	HHCD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1	743153810	DKHCGVRAJSQMNY-UHFFFAOYSA-N	416.543	3.916	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCN(c2ccccc2Cl)C1=O	743622937	BUQHBULGHCOUJC-FQEVSTJZSA-N	424.932	3.711	10	20	HHCD	
CC(C)c1ncc(Cl)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	743633098	VEWXHLUQUIEXIK-OKILXGFUSA-N	420.916	3.936	10	20	HHCD	
Cc1cc([C@@H]2CCCN2CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)no1	744386254	IHNRYOXVQKHUPR-NRFANRHFSA-N	415.449	3.534	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c1O	745813098	XPUPXWBMWRJQST-LJQANCHMSA-N	417.937	3.908	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1	747450333	PPBVRVGQYAPIEK-HDICACEKSA-N	409.530	3.700	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	748485572	LNFLAQMBWNBBLA-UHFFFAOYSA-N	403.463	3.924	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCN1C1CCCC1	749258365	KULOPBBQHOEPEQ-UYAOXDASSA-N	405.970	3.533	10	20	HHCD	
Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc(N(C)C)cc3C)CCCC2)cc1	750840439	PKHVGUOOIVOPPO-UHFFFAOYSA-N	414.571	3.772	10	20	HHCD	
O=C(NCc1ccc(COC2CCOCC2)cc1)NCc1ccc(N2CCCC2)cc1	752149889	OUOGQUFFOJUHSB-UHFFFAOYSA-N	423.557	3.982	10	20	HHCD	
CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C(C)C	753600857	VLKHIIWILWQWNJ-UHFFFAOYSA-N	411.546	3.788	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(F)cc(Br)cc2[nH]1	753640452	PZAZDDDUJWTNPL-SECBINFHSA-N	407.239	3.842	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2cn(-c3ccccc3Br)nn2)c1	756686853	KRVMCTDBSRGHGN-LBPRGKRZSA-N	403.280	3.595	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(Br)cc1O	756776259	AKBOLXBJXPUBNB-RDTXWAMCSA-N	403.320	3.997	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c2ccccc12	758645695	CKOYVSCVDHGEDP-CQSZACIVSA-N	424.453	3.989	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1noc(-c2ccccc2)n1	761799447	PJSAHAVJOWQQRU-LPHOPBHVSA-N	422.485	3.894	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-c2cc[nH]n2)s1	762099904	NRLHUXNEHLPSAI-HNNXBMFYSA-N	416.934	3.892	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cc(C(F)(F)F)cnc1O	765260816	VPDCTUKYCCNIPO-UHFFFAOYSA-N	406.158	3.596	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(OC)c(C4CC4)c3)cc2F)CC1	766611655	NUOHJBJTBICDAH-UHFFFAOYSA-N	411.521	3.784	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@@H]2COC(=O)C2)c(C)n1-c1ccc(F)c(Cl)c1	767604085	VSGLRROUQVFDQG-CYBMUJFWSA-N	407.825	3.566	10	20	HHCD	
CC[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	768259203	YWVUDDBTGHGJGC-HXUWFJFHSA-N	411.521	3.833	10	20	HHCD	
CCOc1cccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1O	768308119	NPYLPXKJPZBXFE-UHFFFAOYSA-N	408.420	3.768	10	20	HHCD	
CCOc1ccc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c(O)c1	769314712	QIMNDAMBKYNRNN-HNNXBMFYSA-N	424.497	3.605	10	20	HHCD	
Cc1c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1-c1ccccc1	772441401	RILDVYSIWJOGKJ-UHFFFAOYSA-N	419.529	3.711	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1	772706323	AVPFDAYNMVIZKX-IBGZPJMESA-N	421.545	3.962	10	20	HHCD	
C[C@@H](NC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	773009680	PUFGHGDFRBGINL-QAPCUYQASA-N	407.580	3.672	10	20	HHCD	
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	773238719	WPXRLTCCLYKGMI-ODHOGUPTSA-N	421.557	3.832	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	773343502	ZENSHSXWAKUMNL-CABCVRRESA-N	409.490	3.933	10	20	HHCD	
COC[C@@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(F)c(F)c1	773785181	OZNNZNNHYVNFME-OAQYLSRUSA-N	419.472	3.629	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl	774726715	VWVQZPFFKDGWAX-UHFFFAOYSA-N	422.356	3.767	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1)c1ccc(OC)cc1	775198521	QFWCUSCOJLZAFM-JOCHJYFZSA-N	411.546	3.767	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCc2c(Cl)cccc21	775765383	NVDKBYMSLWKVDT-GOSISDBHSA-N	402.897	3.786	10	20	HHCD	
COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)Cc1cc(OC)c(OC)cc1O	777578393	PISZZEPRZSKFMX-UHFFFAOYSA-N	413.392	3.603	10	20	HHCD	
CCOc1cc(C(=O)NCc2ccc(O)c(O)c2)ccc1OCCOc1ccccc1	778927868	VAJZKZGGNJNLBR-UHFFFAOYSA-N	423.465	3.884	10	20	HHCD	
Cc1nscc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	781338865	DVFICNDYQJSLKS-QGZVFWFLSA-N	404.536	3.513	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1c(C(F)(F)F)nn(C)c1Cl	782150724	TYGZCDCNVIQVCN-UHFFFAOYSA-N	402.848	3.561	10	20	HHCD	
Cc1cc(O)cc(=O)n1CCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	783697155	NZXHRYIXFARSNF-GOSISDBHSA-N	406.482	3.748	10	20	HHCD	
CCOc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	785754743	OCRJANLMUFSZEE-KRWDZBQOSA-N	422.481	3.790	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1ccc(N2CCOCC2)cc1	788236815	YAFBXGRDCSTFMW-AVRDEDQJSA-N	423.557	3.604	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(C)(C)c1ccccc1	788912567	VBQRTKFAYWNQLK-JOCHJYFZSA-N	407.558	3.776	10	20	HHCD	
O=C(O)C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1	789902625	CMIOPHODNGQMEE-LJQANCHMSA-N	408.420	3.848	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1	790787760	LXNOYAQKBCRVCW-IFXJQAMLSA-N	423.296	3.543	10	20	HHCD	
O=S1(=O)CCC[C@H](CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)C1	792869542	CWTHFUDNISLZEI-HOKKKISVSA-N	413.539	3.802	10	20	HHCD	
COc1ccc(CNC(=O)NCC(C)(C)c2ccccc2Br)c(O)c1	793011024	SVSUNQVUIBYGIW-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
c1ccc(CN2CCc3cc(CNC4CCN(C[C@H]5CCOC5)CC4)ccc32)cc1	796311287	XIHQMJIUXYWTCL-HSZRJFAPSA-N	405.586	3.840	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1	797649043	NRIPRRMTNUHLNF-HIFRSBDPSA-N	420.893	3.919	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@@H](CC(F)(F)F)C(=O)O)cc1)C1CCCCC1	797715678	RWLGITQTONRQLM-INIZCTEOSA-N	401.429	3.660	10	20	HHCD	
CC[C@H](CO)NC(=O)c1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1	798085363	PZSDBHCPOIJWFH-MRXNPFEDSA-N	409.452	3.884	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnc([C@@H](C)O)s2)c(C)n1-c1cccc(F)c1	798690711	MKKIDHNFXWKVFO-CYBMUJFWSA-N	402.447	3.783	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)nn1-c1ccccc1F	802609552	FWBCSNUEHQIZTJ-UHFFFAOYSA-N	424.476	3.793	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2ccccc2SCc2c(C)noc2C)C[C@H](C)S1(=O)=O	805396959	SOASJEVYGJYHRA-XJKSGUPXSA-N	422.572	3.621	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1	806459687	XNXIZHAMMPRICZ-GDBMZVCRSA-N	400.441	3.616	10	20	HHCD	
COC(=O)c1cn(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc12	807838614	ZECLDTHOFGUFIW-UHFFFAOYSA-N	407.253	3.757	10	20	HHCD	
COc1ccc(C[C@](C)(O)CNCc2cc(Br)cc(C)c2O)cc1OC	811515676	COQNROYUGWOTSP-FQEVSTJZSA-N	424.335	3.564	10	20	HHCD	
CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N(CC)CC)cc2)cc1OC	916502882	ONYSCYQBNOLBOX-UHFFFAOYSA-N	401.463	3.778	10	20	HHCD	
COCc1ccccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	918211608	KEMRFEYADZIYPQ-CALCHBBNSA-N	415.509	3.585	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1(c2ccc(F)cc2)CC1	918211837	SXJDMHDKWZISIV-UHFFFAOYSA-N	411.521	3.565	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(-c2nccs2)c1	918267231	VONVLGMBJPQLSN-UHFFFAOYSA-N	406.511	3.665	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1	921077061	MOEULTAHBFFZTO-GOSISDBHSA-N	414.500	3.891	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccc3c(c2)C(=O)NCC3)c1	1320393400	IVBJXDHRHXAPIJ-UHFFFAOYSA-N	407.901	3.963	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc(I)c(F)c1	1327166774	LLAJFPSHJDZGKU-UHFFFAOYSA-N	417.565	3.872	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(OC)c1O	13058481	FQLXQKPMKHHREZ-NVNXTCNLSA-N	417.464	3.513	10	20	HHCD	
CN1CCCc2cc(CNc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])ccc21	58555519	IQZKVPPKJVBVIU-UHFFFAOYSA-N	405.458	3.554	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCc3c(C)nn(CC(C)C)c3C)CC2)cc1	110355317	GHXCQRDTJYGPNM-UHFFFAOYSA-N	412.578	3.882	10	20	HHCD	
O=C(COC(=O)[C@@]12CCC(=O)N1CCS2)Nc1ccc(N=Nc2ccccc2)cc1	254565695	AMUPTLJEYCMWKG-NRFANRHFSA-N	424.482	3.649	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	302831962	DRZBHCKBLZRRGX-KRWDZBQOSA-N	404.894	3.674	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)n(C)c2ccccc12	556132565	UDQIGEBAYNLBEC-UHFFFAOYSA-N	404.297	3.726	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	726237791	MMUDHXCXESFYDC-SXWKCWPCSA-N	422.573	3.719	10	20	HHCD	
COCc1cccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	727241754	DNZZTZCCHJTZTE-UHFFFAOYSA-N	405.457	3.666	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3)nn2)c1C	727874650	LYBZEUKWYKIVAO-UHFFFAOYSA-N	418.497	3.832	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccc(F)cc1	732918846	MNPYNIYWFDGZTD-QGZVFWFLSA-N	409.484	3.932	10	20	HHCD	
CCCC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C)on1	732918862	NJQJYIXSEBKDSP-PXNSSMCTSA-N	400.523	3.668	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(Br)ccc1F	737116802	LHSWYJYIGZIOCX-UHFFFAOYSA-N	422.298	3.641	10	20	HHCD	
O=C(CSC[C@@H]1CCCCO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805563	LQBMQCWSHWSDDZ-YJBOKZPZSA-N	414.518	3.675	10	20	HHCD	
Cc1c(Br)cccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	743314991	VLNZMCCPWMYZAK-UHFFFAOYSA-N	421.310	3.788	10	20	HHCD	
O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N(Cc1ccco1)Cc1ccccc1O	743429839	ZBXHJHFWHYQVCW-UHFFFAOYSA-N	419.412	3.513	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCCCC2)cc1F	743905384	JKGHIIZQOMLSKV-UHFFFAOYSA-N	415.513	3.629	10	20	HHCD	
C[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(F)(F)F	745617650	BFTQDNBRJGMUMP-WDEREUQCSA-N	419.355	3.531	10	20	HHCD	
Cc1cc(C(=O)OCCCn2cnc3c(N)ncnc32)c(C)n1-c1cccc(Cl)c1	748878907	UEYIIFOGXCSSFK-UHFFFAOYSA-N	424.892	3.717	10	20	HHCD	
COc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)cc(Br)c1OC	749189645	XKBWWPSQUHXNHE-UHFFFAOYSA-N	422.323	3.532	10	20	HHCD	
Cc1nc(CCCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1	749910821	FXOKOMFEKPMWJE-GJZGRUSLSA-N	405.539	3.843	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2ccncc2)c(C)n1-c1cccc(Br)c1	750471887	GZJZYOLJSCYEQP-IBGZPJMESA-N	414.303	3.715	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CC(c2cccc(F)c2)=NO1	751306610	WXAZSAURJRVJLP-SFHVURJKSA-N	401.401	3.667	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c(F)c1	751356172	OKSBFBMGIUMZHK-UHFFFAOYSA-N	406.479	3.623	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc4ccsc34)cc2)C1	752361124	RYEWJDCTWGOILZ-QGZVFWFLSA-N	408.527	3.925	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](c3ncc(C)s3)C3CC3)CC2)cc1F	753941323	RWPHQHCMEVTNKL-GOSISDBHSA-N	404.511	3.582	10	20	HHCD	
COc1cc(NC2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc(OC)c1	754355952	UXWZBAWJCMENDZ-UHFFFAOYSA-N	412.534	3.556	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)cc1	754930487	HCUZHSWQYOYFOG-UHFFFAOYSA-N	424.888	3.848	10	20	HHCD	
COc1ccc([C@H](CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)N2CCOCC2)cc1	756352085	QAJZOGAGGMJXGN-XPGWFJOJSA-N	400.494	3.751	10	20	HHCD	
C[C@@H](NCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1O	756510273	QBCWBPURHKTOOD-LJQANCHMSA-N	403.526	3.935	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	760540348	ODOAYDZFVWCMPL-UHFFFAOYSA-N	415.559	3.582	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)c(Br)c1O	761015552	NEXPGXOQJPQSDM-KPKJPENVSA-N	423.313	3.964	10	20	HHCD	
C[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc([N+](=O)[O-])c1	762100698	SDWAKPRILFGRHH-KDOFPFPSSA-N	417.893	3.838	10	20	HHCD	
C[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(N2CCCCCC2)cc1	764810108	MGBWWVUMOZFXID-SFHVURJKSA-N	401.576	3.608	10	20	HHCD	
CN(CCCNC(=S)NCc1cccc(Br)c1O)c1ccccc1	765978455	WPCIKCYSIHQQCA-UHFFFAOYSA-N	408.365	3.645	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)s1	769192464	KZWXQRYNRATOBF-UHFFFAOYSA-N	409.895	3.718	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(C(=O)OC(C)(C)C)cc3)CC2)cc1F	770777909	XEJTVANHKGMFLP-UHFFFAOYSA-N	414.477	3.752	10	20	HHCD	
Fc1cc(CN[C@H]2CCCc3occc32)ccc1N1CCN(c2ncccn2)CC1	774137884	YLNAYIWKIQPLGH-FQEVSTJZSA-N	407.493	3.703	10	20	HHCD	
Cc1cccc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1O	775655502	ZMHPDLPWMOFSKX-HNNXBMFYSA-N	404.308	3.709	10	20	HHCD	
CC[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	775716485	BJDCEUFKFTVUEQ-UNMCSNQZSA-N	416.610	3.564	10	20	HHCD	
CCN(C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1)CC(F)(F)F	776250263	TWHKLXZNKCNXMY-CVEARBPZSA-N	400.489	3.729	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	778674169	KOOWKAKETHLOHA-PKOBYXMFSA-N	414.550	3.508	10	20	HHCD	
COC(=O)[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccc2ccccc2c1	779179706	XQFVUQTYJVIEKE-DEOSSOPVSA-N	403.526	3.596	10	20	HHCD	
O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779522063	PXOIPKWNJAHXLV-DUXPYHPUSA-N	405.372	3.650	10	20	HHCD	
CCOc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	785754135	NHCDCPQHSQPIJW-IBGZPJMESA-N	423.557	3.815	10	20	HHCD	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)o1	788933727	XDHCVGZSNWDUMT-VGSWGCGISA-N	421.541	3.811	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C/c3nccn3-c3ccccc3)SC2=S)c1	790208332	IAEBRSRAMLWFRM-VBKFSLOCSA-N	407.476	3.976	10	20	HHCD	
CC(C)(C)OC(=O)N1CC=C(CCNCc2ccc(N3CCOCC3)c(F)c2)CC1	793330670	LIOQRSFLSHOZFO-UHFFFAOYSA-N	419.541	3.709	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c(O)c1	797636556	AEOFHOJVRDZCDP-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
Cc1noc(C2CN(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)C2)n1	800720571	UURKJSXKRBPOSV-CYBMUJFWSA-N	403.914	3.577	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CN1C(=O)COc2ccc(Cl)cc21	801547969	HUWDJHYMXYRSQQ-UHFFFAOYSA-N	402.878	3.600	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(CCOC)ccn1	806660155	RUNDGUJPNMJKKT-UHFFFAOYSA-N	408.296	3.793	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1	807588166	KSRDYKHOPDZPJB-IERDGZPVSA-N	415.534	3.851	10	20	HHCD	
COC[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	808244933	DUWWXSFZMMXMQZ-IIBYNOLFSA-N	417.937	3.925	10	20	HHCD	
C[C@@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)c1ccc(N2CCOCC2)cc1	808245630	RALCWWYMKNBHTC-GOSISDBHSA-N	409.530	3.967	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(-c4cccc5cccnc45)n3C)CC2)cc1	809868772	VZTFMMYVSYOBBW-UHFFFAOYSA-N	414.513	3.756	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1	813238658	DTHFYTHQGBBKJD-GOSISDBHSA-N	423.561	3.965	10	20	HHCD	
COc1ccc(N2CCCN([C@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)CC2)cc1	815021139	CQALMBWYWVJNEH-MBSDFSHPSA-N	411.521	3.709	10	20	HHCD	
O=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	819427694	QLWAIQAMAVCCDB-INIZCTEOSA-N	415.433	3.781	10	20	HHCD	
CC(=O)N(C)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	914921117	CXOJDZNRIUQLJX-UHFFFAOYSA-N	411.285	3.605	10	20	HHCD	
Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	915660460	VBUMVIWMFVCHGQ-UHFFFAOYSA-N	420.506	3.643	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nn1C(C)(C)C	917380673	KNKIQIVYRDRMQL-UHFFFAOYSA-N	424.467	3.732	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)N2CCc3sccc3C2)cc1	918212122	XGLGAXVQWGVKCD-QGZVFWFLSA-N	400.592	3.840	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2c(C(C)C)noc2n1	920843910	JFWNQJJWQMBCGK-UHFFFAOYSA-N	412.465	3.560	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3c(C)[nH]c4ccc(OC)cc34)cc2F)CC1	1116339911	BDIXBZUPJRKMFT-UHFFFAOYSA-N	424.520	3.696	10	20	HHCD	
CCCNC(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(OCC)cc3)CC2)cc1	1116419732	QTLPCRXDPSRXLW-UHFFFAOYSA-N	424.545	3.508	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCCC(=O)c3cccc(OC)c3)CC2)cc1	1330398985	UDJMAGVLRXGHFY-UHFFFAOYSA-N	410.514	3.796	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1	28331260	QHNKSONEPLRCJN-SDNWHVSQSA-N	405.542	3.663	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)SC1=S	40006427	CEPGWRWTLFJILI-SXGWCWSVSA-N	403.456	3.691	10	20	HHCD	
CCOc1c(OC)cc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC	64646432	GOJVDBDNYHWKLD-UHFFFAOYSA-N	413.518	3.702	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCOc3ccc(F)cc3Cl)CC2)cc1	108431966	GJVFURZYRCKMLV-UHFFFAOYSA-N	406.885	3.996	10	20	HHCD	
C[C@H](NC(=O)NCCCCN1C[C@H](C)C[C@@H](C)C1)c1ccc(N2CCOCC2)cc1	139991569	XCAIGWAMJYMMII-NJYVYQBISA-N	416.610	3.642	10	20	HHCD	
CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1	486623021	CWVBYYGZZPVTQK-LJQANCHMSA-N	413.562	3.673	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN([C@@H](C)C(F)(F)F)CC3)ccc21	488483923	HYEZVNHPCUAERW-INIZCTEOSA-N	411.468	3.613	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCCN3CCCC[C@H]3C)CC2)cc1	726611010	MLPWTIXEROMTBL-LJQANCHMSA-N	402.583	3.618	10	20	HHCD	
COc1cccc(CNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1O	727762984	TUJHAYRKZJZDBZ-UHFFFAOYSA-N	424.457	3.779	10	20	HHCD	
CCCOc1c(Br)cc(C(=O)NCc2cccc(OC)c2O)cc1OC	727762985	TULNNKNYYCPZOW-UHFFFAOYSA-N	424.291	3.891	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(CCN(C)C)Cc3ccccn3)c2C)cc1	730548270	YXBJKFHDTPVCPT-UHFFFAOYSA-N	406.530	3.702	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CC1	731015022	PTJVANFMOGMHCK-FQEVSTJZSA-N	401.551	3.939	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1ccc(N2CCOCC2)cc1	731847250	HSCOUPNOTHJCDH-UHFFFAOYSA-N	409.530	3.612	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cn2)cc1	734702074	UEBPELCSLMHYIT-UHFFFAOYSA-N	418.497	3.812	10	20	HHCD	
CSc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	740826591	MKPSYWZLROLSNG-KRWDZBQOSA-N	414.571	3.701	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c1	741283954	YRADBOWWEFYMHC-BXUZGUMPSA-N	423.296	3.938	10	20	HHCD	
CN(c1ccc(CNC(=O)C[C@H](NC(N)=O)c2ccccc2)cc1)C1CCCCC1	742417404	WXNAAXFOLCVSSY-QFIPXVFZSA-N	408.546	3.871	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)c[nH]2)NC(=O)OC(C)(C)C)cc1	742751703	VYQYNYMZFJMRJQ-QGZVFWFLSA-N	406.914	3.730	10	20	HHCD	
CCc1nsc(N2CCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)n1	742906440	CBCHCLVLAVABAN-UHFFFAOYSA-N	413.522	3.610	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1C	743046316	VFNUEPLKWJJMDV-UHFFFAOYSA-N	416.480	3.598	10	20	HHCD	
CCNC(=O)c1ccc(NC(=O)N(CC)Cc2cc(Br)ccc2O)cc1	743105657	UCUGGYNCBAFHSW-UHFFFAOYSA-N	420.307	3.958	10	20	HHCD	
COc1ccc(OCCOC(=O)c2cc(C)n(-c3ccccn3)c2C)c([N+](=O)[O-])c1	744690741	DETKGZOYHUYXOY-UHFFFAOYSA-N	411.414	3.642	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)c1O	745483246	RDFAUWJOZXBJKM-ROUUACIJSA-N	411.546	3.878	10	20	HHCD	
COc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(OC)c1OC	745649694	FHZWMVAGOGXVPT-UHFFFAOYSA-N	415.534	3.899	10	20	HHCD	
Cc1ccccc1[C@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905767	QUTJGJISFFDIDF-OXJNMPFZSA-N	419.472	3.598	10	20	HHCD	
COc1ccc(N(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC(C)C)cc1	746170017	LKTBKDFRUNLXNC-UHFFFAOYSA-N	423.557	3.710	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C3CCN(C)CC3)CC2)c(C)n1-c1ccc(F)cc1	747773736	DECNUURIGZPRNA-UHFFFAOYSA-N	412.553	3.522	10	20	HHCD	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1	748616415	ZXHUTBSMXMLJBY-QFIPXVFZSA-N	413.587	3.813	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)n2)cc1	749738842	YIDFBCVWNCHIMR-UHFFFAOYSA-N	418.544	3.721	10	20	HHCD	
C[C@H](NCCCCN1CCC[C@H]1CO)c1cc(Br)cc(Cl)c1O	756563850	OQYJMTZGCOZHRG-JSGCOSHPSA-N	405.764	3.696	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN(CCS(C)(=O)=O)C(C)C)c2C)c1	759229457	OLLHCVNBYQWLIS-UHFFFAOYSA-N	422.616	3.754	10	20	HHCD	
COc1cc(N2CCN(C(=O)CCc3cc(Cl)cs3)CC2)cc(OC)c1OC	759238925	DEZIMYMQTRGPKN-UHFFFAOYSA-N	424.950	3.709	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1	759362013	KPYGNAVDRVIGLA-JOCHJYFZSA-N	411.546	3.605	10	20	HHCD	
Cc1cc(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)c(C)n1-c1ccccn1	759915171	QLQMJXOHKQQFQX-UHFFFAOYSA-N	409.453	3.870	10	20	HHCD	
Cc1cc(C(=O)O[C@H]2CCCN(Cc3ccccc3)C2=O)c(C)n1-c1ccccn1	760487255	NZMBGKILCAZEOP-NRFANRHFSA-N	403.482	3.837	10	20	HHCD	
O=C1/C(=C\c2csc(Cl)c2Cl)SC(=S)N1CCCN1CCOCC1	760989754	PXLVULHHHFYZHA-DHZHZOJOSA-N	423.412	3.978	10	20	HHCD	
OCc1nn(CN2CCCc3cc(OC(F)F)ccc32)c(=S)n1-c1ccccc1	762047632	MKGPZEABPHPVTG-UHFFFAOYSA-N	418.469	3.907	10	20	HHCD	
CC(C)Oc1ccc(CCNC(=O)NCc2cccc(Br)c2O)cc1	764762437	RJLNPFHOQQXPEA-UHFFFAOYSA-N	407.308	3.984	10	20	HHCD	
CSCc1noc(CCC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1	767693269	VPRHVHVSKZMFLG-UHFFFAOYSA-N	413.499	3.699	10	20	HHCD	
COc1cc(Br)cc(CN2CC[C@H](N(C)Cc3ccccc3)C2)c1O	769498598	LPIACTBSYGDQGS-SFHVURJKSA-N	405.336	3.870	10	20	HHCD	
Oc1cccc(Cl)c1CNCc1ccc(Br)cc1N1CCOCC1	769928551	SSIRAPYTJLFLJY-UHFFFAOYSA-N	411.727	3.935	10	20	HHCD	
C[C@@H]1CN(c2ccnc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)C[C@@H](C)O1	770825796	XPBZHYUPNBUJOG-QZTJIDSGSA-N	408.546	3.566	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cc(F)c(N2CCCC2)c(F)c1	771921445	QWVVJNVZJNELBB-UHFFFAOYSA-N	421.831	3.893	10	20	HHCD	
CCN1CCN(CCCNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	772645995	DSTSQUCIHVCXBV-UHFFFAOYSA-N	422.577	3.925	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1	772691103	GVYONXOEWCSXLB-WOJBJXKFSA-N	407.518	3.761	10	20	HHCD	
Cc1cc(N2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)nc(C(C)C)n1	773631942	ZRNDVSHVAFAMEL-GOSISDBHSA-N	410.566	3.567	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCC2(c3ccccc3Cl)CCOCC2)c1O	775029168	NFIWTZOQOVMNHT-UHFFFAOYSA-N	406.866	3.800	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)ccc1Br	775291207	FTVHCNYZYHKAKU-UHFFFAOYSA-N	400.294	3.889	10	20	HHCD	
CC(C)(C)OCc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)no1	776857090	WCPRAKKXRYIJFR-UHFFFAOYSA-N	418.563	3.542	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])c2)CC1	776920387	RSIHTQMITKXIPQ-UHFFFAOYSA-N	400.504	3.711	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cnn(Cc3ccc(OC)c(OC)c3)c2)cc1	777562429	ZPYMKUFHXXHHTQ-UHFFFAOYSA-N	422.529	3.725	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	778926939	HKTUGQZQGBYZBL-KUHUBIRLSA-N	400.475	3.616	10	20	HHCD	
CC(C)c1ccoc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	785934681	VIVSKGFHCBVZJA-UHFFFAOYSA-N	423.492	3.589	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c1	788720850	SBXKXLHDROGSJQ-LLVKDONJSA-N	402.401	3.962	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H](CC1CCC1)c1ccccc1	788930472	TUUMFKRSABSHJW-HSZRJFAPSA-N	405.542	3.951	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)c3cccn32)c(C)n1-c1cccc(F)c1	789241565	YAAYWUYGNIMYIU-HXUWFJFHSA-N	408.429	3.978	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCCCn1cc(Br)cn1	792225369	IOORXAUTKHPPPP-UHFFFAOYSA-N	409.328	3.753	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c(O)c1	792759925	IMQVZCCGHOYWNN-GOSISDBHSA-N	403.548	3.735	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)c(O)c1	793067902	NPMSGCQEAUJJKM-UHFFFAOYSA-N	410.857	3.976	10	20	HHCD	
C[C@H]1CN(Cc2cc(Br)cc(Br)c2O)C[C@H](C2CC2)O1	793213497	DMSHSWRELOIWOI-LKFCYVNXSA-N	405.130	3.917	10	20	HHCD	
O=C(NC[C@@H]1CCC(F)(F)C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	797466102	DKCOPVSMYSBVSQ-KGLIPLIRSA-N	403.420	3.991	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)COc2ccc(Br)cc2C(C)=O)c1	802782317	SAHKUVMARUPNFX-NSHDSACASA-N	422.275	3.622	10	20	HHCD	
Cc1ccc([C@H](C)N(C)C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1	803309467	XQUUVGOTDMPTPI-UXHICEINSA-N	423.557	3.537	10	20	HHCD	
CCNC(=O)COc1ccc(CN[C@@H](CC)c2cccc(Cl)c2O)cc1OC	806131094	GSOYDIPTCYQRKG-KRWDZBQOSA-N	406.910	3.810	10	20	HHCD	
CC(=O)NCC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	807515304	CVUOZKQTOKYNCZ-SFHVURJKSA-N	421.501	3.805	10	20	HHCD	
CN(C)c1ccc(CNCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1F	810172576	KUZAEIFVUBKJTB-UHFFFAOYSA-N	410.493	3.551	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3conc3C3CC3)c2C)cc1	811318159	VVSALFNANRBJPP-UHFFFAOYSA-N	422.437	3.786	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1O	811705725	QAOFNCZXBJSRLC-UHFFFAOYSA-N	400.840	3.680	10	20	HHCD	
CC(C)OCc1nc([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1	812645262	VHKIDTCHWMQXMQ-INIZCTEOSA-N	403.527	3.742	10	20	HHCD	
CCCS(=O)(=O)c1ccccc1C(=O)NCc1cc(Cl)cc(Cl)c1O	813685498	IOWUXJVIMKKRAH-UHFFFAOYSA-N	402.299	3.813	10	20	HHCD	
O=C(COc1ccccc1CNCc1ccc2ccccc2c1O)NC[C@@H]1CCCO1	816537316	ZWBXYGCOFSPTFS-NRFANRHFSA-N	420.509	3.509	10	20	HHCD	
O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	816665825	WJKTVAZPAFPFQD-UHFFFAOYSA-N	408.502	3.543	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cn(-c2cccc(Cl)c2F)nn1	857472593	MFOSDCNBEKVVRF-UHFFFAOYSA-N	400.841	3.574	10	20	HHCD	
C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)Cc1ccc(N2CCOCC2)cc1	857759058	YTFBZQNEMCAFRP-UXHICEINSA-N	407.558	3.711	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(S(C)(=O)=O)cc2)cc1	914454887	SPNRCOLPZJFQTB-UHFFFAOYSA-N	412.511	3.592	10	20	HHCD	
Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	916456264	AWTNMTWELFXQHO-INIZCTEOSA-N	422.447	3.934	10	20	HHCD	
CCC(CC)c1nnc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	916672830	SRNDUUKVWLXIIG-UHFFFAOYSA-N	421.542	3.864	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cnc2ccccc2n1	917431324	ICMBSHIKFCMOGC-UHFFFAOYSA-N	402.420	3.775	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccc(C(F)(F)F)cc1	917913443	BMEMCSREXUOHSC-UHFFFAOYSA-N	416.490	3.737	10	20	HHCD	
C[C@H](Cc1cccs1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	918207503	DQQNLMLPOAXCJH-BZUAXINKSA-N	405.539	3.931	10	20	HHCD	
CCC(CC)C(=O)N1CCC(NC(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1	918232493	XTXNXLCRODXGFT-UHFFFAOYSA-N	402.583	3.711	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1	919652857	RVKXOQHFJRKKDH-UHFFFAOYSA-N	420.469	3.911	10	20	HHCD	
O=C(CSc1ccccc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970658	RPEYCLNZYFTLQA-UHFFFAOYSA-N	408.926	3.849	10	20	HHCD	
C[C@H](NC(=O)N1CCCN(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	920872620	VJZQPCRXUSGDJR-FQEVSTJZSA-N	408.546	3.506	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1	1319161367	OLLCFFHHVOSNPB-UHFFFAOYSA-N	415.843	3.840	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3/SC(=S)N(CCc4ccccn4)C3=O)cc2)cn1	1321075393	VMQKRYDTNGMGIJ-XDHOZWIPSA-N	406.536	3.926	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(OC(F)(F)F)cc1	96970951	YXSOXKQSKMPWMG-SFHVURJKSA-N	424.419	3.911	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cc(Br)cs3)CC2)cc1	110463508	CZBWQLMUOYJZBZ-UHFFFAOYSA-N	424.364	3.987	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cc(F)c(OC(F)F)cc2F)n(C)c2ccccc12	472794381	RNBMORRWHNEZCV-UHFFFAOYSA-N	423.366	3.621	10	20	HHCD	
Cc1c(CNC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)n(C)c2ccccc12	473257263	IAKNQHMDRUVOFZ-UHFFFAOYSA-N	403.482	3.651	10	20	HHCD	
Cc1c(CNC(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n(C)c2ccccc12	511978304	UHRXPDIBKDHUEX-FQEVSTJZSA-N	418.541	3.520	10	20	HHCD	
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	556282143	ZHYAHIXNMDDWKN-GOSISDBHSA-N	407.514	3.834	10	20	HHCD	
COc1ccc(C2CCN(C(=O)C(=O)NCc3c(C)c4ccccc4n3C)CC2)cc1	572555261	XOEVWPKIVRSDFX-UHFFFAOYSA-N	419.525	3.518	10	20	HHCD	
C[C@H](Oc1ccccc1F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726567856	QZZNCOOEUUZDDB-AWEZNQCLSA-N	408.420	3.980	10	20	HHCD	
CN(C)Cc1ccc(CN(C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	729595412	ZYWXCCHBIPUSLM-UHFFFAOYSA-N	412.603	3.643	10	20	HHCD	
CN(c1ccc(CNC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1)C1CCCCC1	729860732	QEYFODHMVGHHFP-UHFFFAOYSA-N	410.547	3.556	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccccc3F)cc2F)CC1	730194814	PWJIPVOCHDQTMO-QGZVFWFLSA-N	401.501	3.917	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)NCc1cccs1	731036724	NPMILDKEFSSERD-UHFFFAOYSA-N	415.559	3.842	10	20	HHCD	
COCCc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3O)cc2)cc1	731130104	SWVDLGFGEKXFEH-UHFFFAOYSA-N	420.465	3.628	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cnc4ccccc4c3)cc2)CC1	731132133	UMKXMAQXWYWREL-UHFFFAOYSA-N	402.498	3.726	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H](c2cc[nH]n2)C1	734276096	GZKVVXOZMXGUEU-HNNXBMFYSA-N	419.476	3.569	10	20	HHCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1	735916218	HEQCMHLIEAJZEN-UHFFFAOYSA-N	400.888	3.754	10	20	HHCD	
COc1cc(N(C)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc(OC)c1OC	741795749	OLFIYMVDLDRVIC-OAQYLSRUSA-N	404.482	3.801	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c[nH]cc1-c1ccc(F)cc1	742080927	ZLYKYQIJAZLUNJ-UHFFFAOYSA-N	407.489	3.960	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)cc2nccnc12	742801287	OYNREGBAECGDKN-CQSZACIVSA-N	416.403	3.769	10	20	HHCD	
O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N(Cc1ccco1)Cc1ccccc1O	743430825	LTCBJKCTGGNRLO-FQEVSTJZSA-N	408.429	3.706	10	20	HHCD	
CO[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743557734	LJYJFWBOOSRUEL-XLIONFOSSA-N	419.472	3.944	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc(Br)c2c(c1)OCO2	743717282	KJMPBDYYVZNDJD-UHFFFAOYSA-N	404.260	3.692	10	20	HHCD	
Cc1cc(C(=O)OCc2nc(Cc3ccc(F)cc3)no2)c(C)n1-c1ccccn1	744691725	KQZYFCJCKQPUMJ-UHFFFAOYSA-N	406.417	3.959	10	20	HHCD	
CCN(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(OC)cc1	746108974	GYBUHCVTBHGYHH-GOSISDBHSA-N	421.419	3.828	10	20	HHCD	
CCCN(C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)[C@H]1CCS(=O)(=O)C1	749341540	ZJCQAQPHRQNLNM-IBGZPJMESA-N	402.560	3.750	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc(Cl)n1)c2[N+](=O)[O-]	751286598	DWAGRIFRDUNWAG-UHFFFAOYSA-N	407.769	3.671	10	20	HHCD	
CC(C)S(=O)(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1	751301174	AVCSZLOZBCLFHU-UHFFFAOYSA-N	420.494	3.831	10	20	HHCD	
CCOc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1OCc1cccnc1	753640986	XBEGRURCBKGEII-MRXNPFEDSA-N	422.481	3.832	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)c(C)n1-c1ccccn1	753702293	CKNXBSMTYVLDPA-MJGOQNOKSA-N	411.527	3.515	10	20	HHCD	
O=C(O)[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(N2CCCCC2)cc1	756377980	CJFVIIMQIWBUMV-QFIPXVFZSA-N	422.485	3.852	10	20	HHCD	
C[C@H](NC[C@H](O)COc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1O	756454251	BSONXYLTBILCMH-JQWIXIFHSA-N	401.246	3.698	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cc(Br)c(OC)c(OC)c2)c1	756688614	PDMTYHRCGYCPEG-NSHDSACASA-N	424.291	3.809	10	20	HHCD	
Cn1ccnc1[C@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	756811078	WAWBPMVWVDWIGY-INIZCTEOSA-N	402.458	3.790	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC1CCC(F)(F)CC1)c2[N+](=O)[O-]	761912662	IYKYUDXBJUIKCY-UHFFFAOYSA-N	414.364	3.678	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccccc1OCC(F)F	762220947	RRGGMPWSESHKCB-UHFFFAOYSA-N	419.472	3.861	10	20	HHCD	
Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCc1ccc(N(C)C)cc1	763419089	AZHXRGVFWYKONR-UHFFFAOYSA-N	413.319	3.939	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1	763507435	BKAXFRDYKDZJSG-QGZVFWFLSA-N	414.912	3.933	10	20	HHCD	
CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C12CCC2	764354376	OPFBWSBAHFOUNQ-WOJBJXKFSA-N	403.592	3.729	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cccc(Oc2cnccn2)c1	765726324	FVKQAFYMGFBMEB-UHFFFAOYSA-N	400.232	3.667	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)/C=C/c1cccc(Cl)c1	768796793	JIOVSGGTNVICDL-NTEUORMPSA-N	406.935	3.609	10	20	HHCD	
C[C@H](NC(=O)Cc1cc(F)ccc1Br)c1ccc(N2CCOCC2)cc1	771255308	XMVMVQYFCDMUOM-AWEZNQCLSA-N	421.310	3.845	10	20	HHCD	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772698841	YZHONFAJHKDWPF-JKSUJKDBSA-N	414.531	3.816	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](c3noc(C)n3)c3ccccc3OC)CC2)cc1	777038095	WHOOCNZSSOWRDU-JOCHJYFZSA-N	408.502	3.743	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(OC)c(-n4nnnc4C4CC4)c3)CC2)cc1	777704468	CXLZPKHAYANLSD-UHFFFAOYSA-N	420.517	3.638	10	20	HHCD	
C[C@@H](NC(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	779660586	JHAMIBQLZQQWIK-MRXNPFEDSA-N	404.555	3.902	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1OCC(F)F	783329808	XQMBMFZRTOVRDT-UHFFFAOYSA-N	419.472	3.772	10	20	HHCD	
COc1ccc2cc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)ccc2n1	784107694	ACOSZXSBPMHQCH-UHFFFAOYSA-N	418.497	3.988	10	20	HHCD	
CC[C@H](NC(=O)CN(C)c1ccc(OCC(=O)OC)cc1)c1ccc(Cl)cc1	784559432	SCSYGWNSSDLMGZ-IBGZPJMESA-N	404.894	3.596	10	20	HHCD	
C[C@H](CCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)CC(C)(C)C	785588369	QFOYCOXBRWSTEJ-MJGOQNOKSA-N	402.583	3.650	10	20	HHCD	
CC[C@@]1(C)Oc2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2O1	785870653	ZAQGLOASTIOFIM-QFIPXVFZSA-N	415.465	3.881	10	20	HHCD	
COc1ccc(N(CCC(C)C)Cc2nnc3n(C)c(=O)c4ccccc4n23)cc1	796503082	HARAJLTVLJXYBO-UHFFFAOYSA-N	405.502	3.643	10	20	HHCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799908266	VJCMOWZVXFKXCH-PMPSAXMXSA-N	408.974	3.679	10	20	HHCD	
O=C(Nc1ccc(OC(F)F)nc1)C(=O)N(Cc1ccccc1O)C1CCCCC1	802570245	JOBGKGQDOQXNFH-UHFFFAOYSA-N	419.428	3.689	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1ccncc1	803272691	CEZSQJKQDUSETF-PTNGSMBKSA-N	404.538	3.868	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCCCc2c[nH]c3ccccc23)cc1F	804852848	HEPBTQNQOXENFB-UHFFFAOYSA-N	424.520	3.518	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CN(C(=O)OC(C)(C)C)C1	806423810	WQFXKXNPIACGCF-INIZCTEOSA-N	401.551	3.747	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCN(c2nccs2)CC1	807204782	QJFYZHFRKYPQLH-UHFFFAOYSA-N	401.319	3.624	10	20	HHCD	
COc1ccccc1[C@@](N)(C(=O)NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	807838733	QKOHPNBFPROLGZ-MRXNPFEDSA-N	423.218	3.740	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCc3ccccc3Cl)cc2)C1	810182999	OSOMKKHKFJKXCA-IBGZPJMESA-N	413.949	3.681	10	20	HHCD	
Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1[N+](=O)[O-]	811704229	YFFZKPQAGBSAEM-UHFFFAOYSA-N	414.867	3.988	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H]1c1nncn1C	812035086	PCZPTCSCEZLCLO-FQEVSTJZSA-N	416.533	3.843	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCCC23OCCO3)cc1	857449802	JLARNFMVERWMOI-QFIPXVFZSA-N	410.514	3.838	10	20	HHCD	
Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C2CCC2)n1	857458354	SXBOJJQKDZWVTE-OAHLLOKOSA-N	404.461	3.688	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@@H]2CCN(C)C(=O)C2)sc(C)c1-c1ccc(F)cc1	912518259	MGIOIQDLJAHXKO-CQSZACIVSA-N	418.490	3.846	10	20	HHCD	
CCN(Cc1ccccc1C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	916196418	FLNHYLSMKGWNLG-UHFFFAOYSA-N	424.589	3.747	10	20	HHCD	
Cc1cccc(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C	917406367	ZPIVBRIZOFPPQS-HDICACEKSA-N	413.537	3.809	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c(C)n1-c1ccc(F)cc1	918675326	AFURLDISDTZEMC-NRFANRHFSA-N	409.461	3.747	10	20	HHCD	
CCO[C@H]1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1	920225594	FMYQEKHIJVNBCI-AOHITCTBSA-N	424.613	3.757	10	20	HHCD	
C[C@@H](NC(=O)N(C)CCOc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1	920869551	RSDLGKFDWPZZMY-QGZVFWFLSA-N	417.937	3.958	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)CCO5)no3)CC2)cc1	1319626699	XQNNYNBEGPOAMN-UHFFFAOYSA-N	419.481	3.638	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cccc(I)c2C)c1O	1319967754	QIGUKAWPSQHXKH-UHFFFAOYSA-N	412.227	3.636	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1F	51714441	SJTLNZUYFSAFTJ-IBGZPJMESA-N	403.473	3.922	10	20	HHCD	
CNC(=O)C1(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CCCC1	725750751	DSGXYVKZDYAOHP-UHFFFAOYSA-N	418.335	3.645	10	20	HHCD	
CCN(Cc1c(F)cccc1F)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	725865174	VSCFFJIYDVUKRV-UHFFFAOYSA-N	407.436	3.672	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1OC)Cc1ccc(N2CCC(OC)CC2)cc1	728053014	QCQLHEBIQZGZMN-UHFFFAOYSA-N	411.546	3.771	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)c3ccccc3Cl)ccc21	728763801	CRMQKBPJYSCLLD-UHFFFAOYSA-N	420.918	3.677	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1	729043277	CKELOKFQNYLDKT-OXJNMPFZSA-N	413.518	3.607	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1F	731346013	PIBUXBCILXZLHX-UHFFFAOYSA-N	405.426	3.527	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCOc2ccc(F)cc21	731681586	FTAOWLHMNUVMGG-LJQANCHMSA-N	401.507	3.702	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccccc1N1CCCC1=O	731844873	PDNUJSBXNDROHD-UHFFFAOYSA-N	419.481	3.753	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H](C)C(=O)c3ccccc3)cc2F)C[C@@H](C)O1	732758451	MYBCJKFVUOVXNG-KZNAEPCWSA-N	412.505	3.965	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cccc(I)c1	733884801	YRPZCNISJOQCTC-UHFFFAOYSA-N	404.298	3.660	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)c1	734072583	ILBYQFZJDDODTB-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1cccc(Cl)c1	743674334	VGVWGEDVRCMSAN-KRWDZBQOSA-N	417.937	3.786	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)nc2[nH]nc(C)c12	743809033	LPPFNVNXNHWOAM-UHFFFAOYSA-N	403.280	3.705	10	20	HHCD	
Cc1cccc(C)c1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743975279	PEKFCJTVQDWLFT-INIZCTEOSA-N	417.456	3.629	10	20	HHCD	
CCn1c(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccccc21	744886860	JWJPHUZEJFTLDB-IBGZPJMESA-N	422.529	3.695	10	20	HHCD	
Cc1nnc(-c2ccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)cc2)o1	746162693	OUBJRHUUEAKKPZ-UHFFFAOYSA-N	417.513	3.829	10	20	HHCD	
C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)cc2)C[C@@H](C)O1	746813960	AUXKPMDWYPXRRA-KDURUIRLSA-N	407.558	3.608	10	20	HHCD	
COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)c(F)c2)c(OC)c1	746979292	HSWDTGRCRUORIO-IBGZPJMESA-N	401.482	3.956	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)Cc1ccc(Cl)nc1	751463859	AKUSPLVYMYNEGA-UHFFFAOYSA-N	419.728	3.555	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(OC[C@H]4CCOC4)CC3)c2C)cc1	751913616	YMFALVMQLMBVGS-IBGZPJMESA-N	412.530	3.760	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC(OC[C@H]3CCOC3)CC2)ccc1N1CCCCC1	753567867	BIZUTFZSTYMTNT-IBGZPJMESA-N	403.523	3.603	10	20	HHCD	
COc1cccc(C[C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C2CC2)c1	753860815	VXBPOFSEHUXETC-ZJSXRUAMSA-N	407.558	3.508	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	756612244	YQIBSIFWNJJERI-PXAZEXFGSA-N	421.400	3.748	10	20	HHCD	
C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Br)ccc1O	756797871	WIQFPEHZYGULJZ-GFCCVEGCSA-N	411.321	3.868	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1cc(I)ccc1Cl	758260017	DJRKXYWVYMOPJW-UHFFFAOYSA-N	402.619	3.972	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)c1ccc(Cl)s1	758303035	RIFYYNTULRMEGS-UHFFFAOYSA-N	414.861	3.971	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCN(c4ccc(C)c(C)c4)CC3)CC2)cc1	759369077	OPGOCFPQJCJWRU-UHFFFAOYSA-N	422.573	3.813	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](C)[S@@](=O)CC2)c(C)n1-c1ccccc1Br	760651611	HCLOPRNOGJGINR-SXBQZSJRSA-N	423.376	3.840	10	20	HHCD	
C[C@H](NCCC1(C)OCCO1)c1cc(Br)cc(Br)c1O	760883662	RBOSOZWRKRYXSA-VIFPVBQESA-N	409.118	3.721	10	20	HHCD	
COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(N(C)C)cc1	763396952	GBHUNKYDTVOHBB-UHFFFAOYSA-N	403.504	3.672	10	20	HHCD	
C[C@H](N[C@H](c1ccc(F)cc1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764813879	GJPSSQBLVFTZBS-KSFYIVLOSA-N	412.484	3.975	10	20	HHCD	
CCOc1nccc(C)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	764841770	OWKPEKXCYVPJMV-OAHLLOKOSA-N	405.445	3.789	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1	767883385	YODDYXIUKDZFDH-UHFFFAOYSA-N	424.482	3.636	10	20	HHCD	
CCCN(Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1O	767892610	KEFUTRVWSCMOEW-UHFFFAOYSA-N	413.474	3.880	10	20	HHCD	
O=C(NCCCc1cccs1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	770223444	OWMOTBVZDOFQRW-UHFFFAOYSA-N	422.553	3.679	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCSC[C@H]1c1nccs1	771290142	FESABERCNHUECP-KRWDZBQOSA-N	420.629	3.696	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)c1	771823920	MBBACYKPPBJHDZ-ZDUSSCGKSA-N	418.453	3.546	10	20	HHCD	
COCCn1ccc2ccc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cc21	772128566	RAUPWZZBMCZKMA-UHFFFAOYSA-N	413.861	3.616	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnc(OC2CCCCC2)c1	772689217	DQEUOGXAKVTPOG-UHFFFAOYSA-N	423.557	3.932	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2cccc(C(F)(F)F)c2)CCOCC1	772796868	HHXXDLDMCGXQHK-FNORWQNLSA-N	407.388	3.952	10	20	HHCD	
CC(=O)Nc1cccc(OCCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	772951644	UZBNRYYAKAYDSG-MRXNPFEDSA-N	417.937	3.865	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(-c2ccccc2)nn1)c1ccc(N2CCOCC2)cc1	773276394	FKOPFKVUQOGSDQ-KRWDZBQOSA-N	403.486	3.863	10	20	HHCD	
CC1(C)CCN(Cc2c(O)ccc3cc(Br)ccc23)CCS1(=O)=O	773344413	NITMWICUYBGZLE-UHFFFAOYSA-N	412.349	3.707	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nccn4ccnc34)c2C)cc1F	777091565	AOWRYZAHVJGLKK-UHFFFAOYSA-N	406.417	3.624	10	20	HHCD	
COc1ccc(Cn2cc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cn2)cc1OC	777793487	JPRQKRCTEKFHHD-INIZCTEOSA-N	408.502	3.506	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(NC(=O)c2cccc(F)c2)c1	779500383	PGOXJTWOGRMUNN-NTMALXAHSA-N	406.413	3.819	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1Br	780397695	PAOUCNOYTACUGC-UHFFFAOYSA-N	419.684	3.567	10	20	HHCD	
Cc1nnnn1-c1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1F	782756543	AXTRXZAYYKHHNV-UHFFFAOYSA-N	411.485	3.618	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1	783504570	ORNFLCFJCRVRIG-QUCCMNQESA-N	403.567	3.963	10	20	HHCD	
CO[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1ccccc1	786658307	ULDXHCHKQMBENI-HSZRJFAPSA-N	423.557	3.576	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	796270563	ISOOHLQUHAVFST-UHFFFAOYSA-N	417.557	3.988	10	20	HHCD	
CN(CCNCc1cc(-c2ccccc2)ccc1O)S(=O)(=O)c1ccc(F)cc1	797880276	UFPGDDLAAVTCCJ-UHFFFAOYSA-N	414.502	3.609	10	20	HHCD	
Cc1cc(S(=O)(=O)NCCN[C@H](C)c2cccc(C(F)(F)F)c2O)c(C)s1	798182933	WSKNPFIHYZLGHQ-LLVKDONJSA-N	422.494	3.718	10	20	HHCD	
CC(=O)NCCN(Cc1ccsc1)C(=O)c1sccc1-n1c(C)ccc1C	801415700	ZPRSEDDKQDBTAA-UHFFFAOYSA-N	401.557	3.996	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1	801629323	XKJFMPMRNVIBOJ-UHFFFAOYSA-N	405.520	3.906	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1ccc(C)cc1-c1cnn(C)c1	802640314	DGWNTUYANLCISH-UHFFFAOYSA-N	413.905	3.930	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1	806276213	LESQTBJOCXPIPB-DLBZAZTESA-N	403.573	3.584	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1OC1CCOCC1	806646757	YRZSCSHTFJZVNE-ZDUSSCGKSA-N	404.438	3.547	10	20	HHCD	
CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1	808078537	VMJPRLSYUVEXGN-TZIWHRDSSA-N	416.562	3.763	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCCO1	812442671	CJUBCPZZMGEOJT-NRFANRHFSA-N	406.530	3.974	10	20	HHCD	
COc1ccc([C@@H](O)C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)cc1	812776570	VUQLTNYEPYMTFD-LJQANCHMSA-N	406.866	3.908	10	20	HHCD	
Cc1cc(C)nc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1	914447871	OZUBAPCPIBORJV-GXDHUFHOSA-N	418.569	3.775	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2cc[nH]n2)c(C)n1-c1ccc(OC(F)F)cc1	915057450	ARNBDDMBKNHIMD-CYBMUJFWSA-N	403.385	3.847	10	20	HHCD	
CC[C@@H]1CO[C@H](C)CN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	915276238	PQCAUBSXBPLVJA-RSCROXIHSA-N	424.613	3.755	10	20	HHCD	
CC(C)Cc1nnc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	916668718	IUWIVWQVWHSUBI-OKILXGFUSA-N	421.542	3.811	10	20	HHCD	
CN(CC(F)(F)F)C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	917205885	MJNCVPNVHOVOHL-HNNXBMFYSA-N	413.465	3.842	10	20	HHCD	
CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918219046	CHXSREOWPGBMEU-UHFFFAOYSA-N	405.901	3.782	10	20	HHCD	
O=C(CSc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1	1115885904	JUCGIAWDLPYHKH-UHFFFAOYSA-N	421.360	3.694	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc4c(nc3O)CCC(C)(C)C4)CC2)cc1	1116339625	FPXGISLEYKQTBQ-UHFFFAOYSA-N	409.530	3.710	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3Cc4ccc(C)cc4S3)cc2F)CC1	1318574174	IBXWSUNVGKYCTI-QFIPXVFZSA-N	413.562	3.609	10	20	HHCD	
Cc1cc([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(C)o1	1318911630	YEMQZCPUNOALTM-GFCCVEGCSA-N	420.512	3.955	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)CC2)cc1	1319492397	XALOQPANMCWAPF-UHFFFAOYSA-N	424.501	3.556	10	20	HHCD	
C[C@@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H](n2cncn2)C1	1321812261	YCRDWESSDCDTRZ-UIAACRFSSA-N	423.483	3.653	10	20	HHCD	
CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1	1830734665	AYAHXLGJUAYADP-KRWDZBQOSA-N	420.937	3.785	10	20	HHCD	
CC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)c(O)c(Cl)c3)C2)CC1	1845502362	PAYNXELVKLKMFH-SHTZXODSSA-N	420.937	3.785	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2)SC1=S	3018453	UXTXMXDCQKQCOF-WQRHYEAKSA-N	410.520	3.535	10	20	HHCD	
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(C)n(-c2ccccn2)c1C	110922412	QHYLQNPQFQDCRT-UHFFFAOYSA-N	404.514	3.853	10	20	HHCD	
COc1ccc(Br)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1	203058113	BIKJNJBRCYBJCH-WQLSENKSSA-N	416.318	3.524	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)c(C)o1	472245021	VCKNTPCFTVZQEK-UHFFFAOYSA-N	422.529	3.801	10	20	HHCD	
CN1CC[C@@H](c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)c2ccccc21	544238242	AOVUBOISRZHCOL-GOSISDBHSA-N	416.506	3.925	10	20	HHCD	
Cc1cc(O)c(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1C	727424277	DIYQFFIJYRCPJF-MRXNPFEDSA-N	408.498	3.823	10	20	HHCD	
COc1cc(CCC(=O)NCc2cccc(OC)c2O)ccc1OCC(F)(F)F	727764088	RXXWGLWQWAGCGS-UHFFFAOYSA-N	413.392	3.600	10	20	HHCD	
COc1cccc([C@H](CNC(=O)N[C@H](C)c2cc(OC)ccc2O)N2CCCC2)c1	729044225	JQNNGAPZKYNEFY-IERDGZPVSA-N	413.518	3.607	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1F	731346017	PMGPLZAALDCNIU-UHFFFAOYSA-N	424.520	3.705	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](CN(C)C)C2)c(C)n1-c1ccccc1Br	733980881	PBLYHKGTVUMUSA-MRXNPFEDSA-N	404.352	3.880	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCc3n[nH]cc3C2)c(C)n1-c1ccccc1Br	733984604	GXVJVURPTYASDS-HNNXBMFYSA-N	413.319	3.867	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCN3Cc3ccccc3)CC2)cc1	734174029	XQWJCJNCAOBMGS-QHCPKHFHSA-N	422.573	3.628	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1	734319737	MMUMGMFWASCFBC-ISKFKSNPSA-N	423.557	3.767	10	20	HHCD	
O=C(NCCCCCN1CCCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	739039974	UJWLNFLEKVXQLU-NRFANRHFSA-N	403.567	3.739	10	20	HHCD	
CCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nn1-c1ccccc1F	741531925	LHSGGVCJVVMBND-UHFFFAOYSA-N	407.493	3.840	10	20	HHCD	
CN(c1ccc(CNC(=O)NC2CCN(C(=O)C3CC3)CC2)cc1)C1CCCCC1	742758620	DUAAGMQPZXHPGD-UHFFFAOYSA-N	412.578	3.656	10	20	HHCD	
CN(C)[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	742800036	FHBAYEXGTATCJW-PXNSSMCTSA-N	403.473	3.676	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3cc4ccc(F)cc4s3)CC2)cc1	742927599	VTYRKIYRCBXZGY-UHFFFAOYSA-N	413.518	3.601	10	20	HHCD	
Cc1ccc([C@@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)N(C)C)cc1	743334107	MRYPRHURVNVBJJ-FCHUYYIVSA-N	411.546	3.694	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(-c2cccc(F)c2)no1	743624382	QYMZAYZWBGQOLF-OAHLLOKOSA-N	407.449	3.812	10	20	HHCD	
O=C(CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1	743631049	DHDXZEKVPHRTKA-UHFFFAOYSA-N	404.417	3.592	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)COCc1cccc(OC)c1	743809544	ZAFOZNGXOXVRRI-UHFFFAOYSA-N	408.292	3.729	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)cc1	746308935	ASJARNCVNSUVLG-UHFFFAOYSA-N	407.436	3.625	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCc2nc(-c3nc[nH]n3)no2)cc1	748491611	LFCKYJZMFNSNLK-UHFFFAOYSA-N	418.417	3.693	10	20	HHCD	
Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	748982260	VOBDFIYOKFVOLP-UHFFFAOYSA-N	422.573	3.548	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cccc(OC2CCCC2)c1	749730469	QVZXYLNYJQWTOQ-UHFFFAOYSA-N	405.545	3.702	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c(C)o1	754804515	IIUBHABVBVUIOT-UHFFFAOYSA-N	407.488	3.604	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1Cn1cnc2ccccc21	756072004	RWRRNDFUMLZKEJ-NRFANRHFSA-N	401.514	3.787	10	20	HHCD	
C[C@@H](NCCCc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1O	756534371	IKYYQXBBFITFRL-GFCCVEGCSA-N	411.319	3.895	10	20	HHCD	
CCSc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	756925447	AUTRLBHPBVPCDT-KRWDZBQOSA-N	404.601	3.884	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1	757897671	CJIJSRHALBVXQB-UHFFFAOYSA-N	410.474	3.814	10	20	HHCD	
CC(C)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1cccc2ncccc12	759589925	BNSKWFRXEPWZDW-DMGQTMSCSA-N	406.438	3.866	10	20	HHCD	
CO[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccc(Cl)cc1	761451128	SVXQYFQRDFYVGU-QGZVFWFLSA-N	409.269	3.851	10	20	HHCD	
Cn1cc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2ccc(F)cc21	762364658	NAKCUBSTJBJCDR-UHFFFAOYSA-N	415.852	3.683	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	766976581	ACDRHWHNLZJGAN-LLVKDONJSA-N	413.927	3.587	10	20	HHCD	
O=C(NC1CCN([C@@H]2CCC[C@@H]2O)CC1)N(Cc1ccccc1O)C1CCCCC1	769158129	YWCGXTKHVQKLJJ-GGAORHGYSA-N	415.578	3.614	10	20	HHCD	
C[C@H]1CCC[C@@H](C)N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	769915675	ANTJRTBUBBBLOY-UONOGXRCSA-N	408.545	3.905	10	20	HHCD	
CCN(CC)CCOc1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1	771636933	LTBWXNMFUSHXIT-UHFFFAOYSA-N	424.589	3.801	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1ccc(Cl)cc1C(F)(F)F	772777834	YDVCZTJJVCOXKC-KXFIGUGUSA-N	415.751	3.965	10	20	HHCD	
CCCC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C	773855263	FPOPZLPWNYJLBH-INIZCTEOSA-N	410.518	3.616	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1-c1ccc(F)c(Cl)c1	773987349	BFXTYYILIQDOFE-GFCCVEGCSA-N	401.873	3.925	10	20	HHCD	
CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	775235803	UCSARWPKMPQKBY-AWEZNQCLSA-N	411.462	3.559	10	20	HHCD	
CC[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1O	775498014	VXXJSFPWHUTVSQ-HNNXBMFYSA-N	403.331	3.718	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1ccc(N(C)C)cc1	775646511	HYFUGEQPAVTPAX-ZDUSSCGKSA-N	409.469	3.628	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@H](OC)c3ccccc3F)CC2)cc1F	775776533	CYHKHJRCLMFNFP-BTYIYWSLSA-N	419.472	3.581	10	20	HHCD	
CC1CCN(Cc2csc(NC(=O)CN[C@H](C)c3ccc(N(C)C)cc3)n2)CC1	775831995	WBMIYMSXDBOCGD-QGZVFWFLSA-N	415.607	3.730	10	20	HHCD	
COc1cc(C)c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1F	775897367	HEXZERFEOMMOFG-UHFFFAOYSA-N	401.482	3.673	10	20	HHCD	
CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)/C=C\c1ccc(O)c(O)c1	775942900	NPKNVFYJOCHWFA-ZQGDAAQZSA-N	405.450	3.555	10	20	HHCD	
COC(=O)C[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccncc1	777357424	XMGUTLZYRWHHSG-HSZRJFAPSA-N	409.461	3.837	10	20	HHCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	778113093	DIUTZWYEGVQSDC-RXVVDRJESA-N	424.501	3.961	10	20	HHCD	
COc1ccc(C[C@H](C)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC	781351246	MANHODZFLIPRHS-PXNSSMCTSA-N	413.514	3.796	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3ccc[nH]3)c2C)cc1	782332825	ZRJKNQOTJXEKLV-DHZHZOJOSA-N	406.438	3.648	10	20	HHCD	
CC(C)(C)[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	788234877	OVEJZVMNRHZYPX-UNMCSNQZSA-N	424.541	3.803	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3sc(SC(F)F)nc3C)CC2)cc1	792801806	RMZOJKVHAIJNGU-UHFFFAOYSA-N	413.515	3.666	10	20	HHCD	
C[C@H]1CN(c2ccc(CNCc3ccc(N(C)C)cc3C(F)(F)F)cn2)CCO1	792914847	FUHBNTGTYVTISJ-HNNXBMFYSA-N	408.468	3.681	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)c3ccc(F)cc3o2)cc1	795856680	NNNAYGGWXZEGDV-IBGZPJMESA-N	424.472	3.820	10	20	HHCD	
O=S1(=O)CCc2cc(CNCc3ccc4c(c3)CCN4Cc3ccccc3)ccc21	796320781	DETQRBVGZHITMF-UHFFFAOYSA-N	418.562	3.869	10	20	HHCD	
C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1F	796695268	NGKHQXFACLKGDF-ZDUSSCGKSA-N	408.315	3.621	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)c1O	797605304	OVOGZCCWAFTCQG-UHFFFAOYSA-N	416.865	3.898	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@H](CCNC(=O)OC(C)(C)C)C3)cc2)CC1	799739455	YMNCUDDWDPPBOV-HXUWFJFHSA-N	416.610	3.565	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C3(S(C)(=O)=O)CCCC3)cc2Cl)C1	800047828	QSAVUHVTGKHPLJ-OAHLLOKOSA-N	412.983	3.550	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1	801174682	RWFVZOFFVWHLDJ-UHFFFAOYSA-N	420.181	3.992	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1cccc(F)c1)C1CCCC1	807290402	HYYADOLSGPMDQB-UHFFFAOYSA-N	421.516	3.790	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1O	808713952	VHYOQGDUOHAJOA-HNNXBMFYSA-N	403.910	3.798	10	20	HHCD	
CC1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H]1[C@@H]1CCCO1	812067000	JCGMSPTWOVJPJJ-AYOQOUSVSA-N	423.504	3.856	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1O	813234970	ZZCFVZMAMPKUSI-KOMQPUFPSA-N	405.292	3.909	10	20	HHCD	
Cc1cc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)ccc1N(C)C	815067840	CEDUSCPHLAJQPX-KRWDZBQOSA-N	421.541	3.875	10	20	HHCD	
Cc1cc(C)c([C@H](C)NCc2ccccc2CS(=O)(=O)N2CCCC2)c(O)c1	815598104	MRCBGZUFENDHGQ-SFHVURJKSA-N	402.560	3.785	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C	844884235	CXSJLEOYUCFNDJ-UHFFFAOYSA-N	418.559	3.516	10	20	HHCD	
CC(C)Nc1ncccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472367	LINCDJRVGMRKPN-QGZVFWFLSA-N	402.926	3.655	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(C(=O)NCC(C)C)CC2)c(C)n1-c1cccc(F)c1	890935346	HWXYDCHOOXSCFZ-UHFFFAOYSA-N	413.537	3.900	10	20	HHCD	
COCCc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	914851597	ITUWQAFHQVICLC-UHFFFAOYSA-N	402.560	3.687	10	20	HHCD	
CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C	914903301	JDEZTYRGQRNKBG-UHFFFAOYSA-N	423.469	3.650	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1	915219211	SFNDCKXOTMKLFD-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1	917752424	YMPRGCSQSKYRJL-UHFFFAOYSA-N	416.524	3.916	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	917927934	NUFBUDQQDWRLDC-UHFFFAOYSA-N	411.911	3.914	10	20	HHCD	
O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970782	YSOGDTBRSNYXPF-UHFFFAOYSA-N	410.411	3.665	10	20	HHCD	
Cn1ncc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)c(Cl)c4)cs3)cnc21	1320555662	BQRZIDAXBQSXRF-UHFFFAOYSA-N	423.882	3.685	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@]3(C)CCN(Cc4ccccc4)C3)cc2F)CC1	1322573819	BVCHZHGQZKLGRV-VWLOTQADSA-N	410.581	3.579	10	20	HHCD	
CN1CCN(c2ccc(CNCCOc3cccc(C(F)(F)F)c3)cc2F)CC1	1338750959	JKDDNQPNFHRHAM-UHFFFAOYSA-N	411.443	3.765	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(Cl)ncc3Br)CC2)cc1	1343725221	KVIWHVXANNEYKK-UHFFFAOYSA-N	424.726	3.859	10	20	HHCD	
COc1ccc(N(C(C)=O)c2nc(/C=C3\SC(=S)N(C)C3=O)cs2)cc1	12763552	XQBMLCMGGSDIAM-ZSOIEALJSA-N	405.526	3.667	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1	106056443	LQZFYBVGXWOCEY-JOCHJYFZSA-N	407.558	3.582	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3csc(-c4ccccn4)n3)CC2)cc1	237275130	UMOQUHBFEPIIHM-UHFFFAOYSA-N	423.586	3.516	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(C)n1-c1ccccn1	261468157	WMAFHAJTWXVLGA-GOSISDBHSA-N	400.523	3.768	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC3CCN(C(=O)c4ccoc4)CC3)cc2)CC1	303378768	MBTOERFTGNNLSX-UHFFFAOYSA-N	424.545	3.620	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(Br)c1F	327513455	JUASABXXSMSVEQ-UHFFFAOYSA-N	407.283	3.697	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1	437021963	GAHGJWXWTNXVIM-UHFFFAOYSA-N	423.494	3.687	10	20	HHCD	
COc1cc(OC)c(CCNC(=O)NCc2c(C)c3ccccc3n2C)c(OC)c1	471847454	OTPCXNYJYKKAAJ-UHFFFAOYSA-N	411.502	3.554	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCOc3ncccc3Cl)ccc21	472225810	VBTBDVSKTGDQEL-UHFFFAOYSA-N	401.894	3.762	10	20	HHCD	
O=C(CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCCc2ccccc21	725848768	HMACGVGVOAGNLV-UHFFFAOYSA-N	408.502	3.654	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)cc1	730829073	FVXCUQKZLSUZIP-UHFFFAOYSA-N	404.599	3.564	10	20	HHCD	
COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NCc2cc(OC)ccc2O)cc1	734014789	AXDXOIQIJBDHDK-UHFFFAOYSA-N	424.428	3.731	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c1	734065590	DUQWPHAETDBDFV-UHFFFAOYSA-N	404.894	3.602	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2	734517355	OYRANFAFYQLZPP-UHFFFAOYSA-N	403.910	3.875	10	20	HHCD	
CC(C)(CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)NC(=O)OC(C)(C)C	740081609	FGBKEMIDEYVBIO-KRWDZBQOSA-N	406.523	3.593	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(OCCc2ccccc2)CC1	740920407	XVGXHTSPMUKANV-UHFFFAOYSA-N	405.542	3.996	10	20	HHCD	
CO[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	743564394	KNKXPCAADUTADL-HRAATJIYSA-N	417.937	3.925	10	20	HHCD	
COc1ccc(C2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1	745750742	VAJGKIFYHUFRPF-UHFFFAOYSA-N	409.530	3.621	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)N1CCC(C)CC1	745782599	FYTSXHNKFYDFQV-HNNXBMFYSA-N	412.372	3.807	10	20	HHCD	
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc(N(C)C)c(F)c1	745788849	SJGOVSUIRJBNQW-OAQYLSRUSA-N	412.553	3.945	10	20	HHCD	
Cc1ccc(C(=O)NCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	745813926	SYDJNBTUUNLVIW-UHFFFAOYSA-N	409.530	3.975	10	20	HHCD	
CCC(CC)(CCO)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903174	CBRFVONTVLUDPK-INIZCTEOSA-N	413.509	3.745	10	20	HHCD	
COC[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(C)o1	746761865	PQMZUMFZPFXQAX-SFHVURJKSA-N	423.460	3.845	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)n1-c1ccc(F)cc1	747210623	LIZJGDMBPLDJBN-QGZVFWFLSA-N	407.493	3.791	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(Cn4nc(C)cc4C)c3)CC2)cc1	748605153	PEJCHWFHOGHCBL-UHFFFAOYSA-N	404.514	3.519	10	20	HHCD	
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	750287503	RRTDAUPEXNTZMH-AXTPWFNZSA-N	405.608	3.802	10	20	HHCD	
C[C@]1(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO[C@H]1C1CC1	753154673	QASUGXOYHOBCFV-RXVVDRJESA-N	409.477	3.514	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC3(CCO)CCCCC3)cc2F)C[C@@H](C)O1	753350306	ORSAGRFPFRFAIX-HDICACEKSA-N	421.557	3.571	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	754454661	OOVXOCRRQYZESY-UHFFFAOYSA-N	416.453	3.634	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C/c3ccc(OC(F)F)c(F)c3)SC2=S)CC1	754681091	WJBQOQKYARUQJQ-ZROIWOOFSA-N	402.463	3.723	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3cn(C)c4ccccc34)cc2F)CC1	755292306	FQJPXRMDKVRGQG-UHFFFAOYSA-N	422.548	3.708	10	20	HHCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)CC[C@H]1NC(=O)OC(C)(C)C	757647837	MWYOMFKVRHHXJI-YLJYHZDGSA-N	418.582	3.896	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](CO)c1ccc(C(F)(F)F)cc1	759270768	BBJLMNQHSVHNOX-LJQANCHMSA-N	407.436	3.838	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3CCO)c(C)n1-c1ccc(Cl)cc1	759704056	ZMEWWFQGNZUDFQ-FQEVSTJZSA-N	412.921	3.744	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)cc(OC)c1OC	759931514	DWSYBCWVZZGBBW-UHFFFAOYSA-N	411.502	3.555	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1cc(F)c(F)cc1I	761229737	DLNHBXBHVMUTFG-UHFFFAOYSA-N	403.166	3.547	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(N2CCOCC2)cc1	763378234	DBBAGHZCYZRZBO-VFNWGFHPSA-N	417.912	3.772	10	20	HHCD	
COc1c(CNC(=O)NCc2cccc(Br)c2O)oc2ccccc12	764804307	IAHDUUOBGCHWEU-UHFFFAOYSA-N	405.248	3.909	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1cccc(Br)c1O)c1nc(C2CC2)no1	765481225	NNDYMHYFKWCDKR-ZDUSSCGKSA-N	409.284	3.612	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc(COc2ccccc2F)on1	765751218	AUMVQYNGQRCWEN-UHFFFAOYSA-N	421.222	3.791	10	20	HHCD	
COc1cccc(-c2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)n[nH]2)c1	767975511	GRMUAOXYBRIKLB-LJQANCHMSA-N	407.470	3.612	10	20	HHCD	
CCOC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1cccc(O)c1	768918907	PEVXDKKLWRRKLO-JOCHJYFZSA-N	422.481	3.843	10	20	HHCD	
Cc1csc([C@](O)(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C(F)(F)F)n1	775411925	RUHIKMVCGRCGTG-YVEFUNNKSA-N	401.454	3.535	10	20	HHCD	
Cc1nc(O)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Br	778426999	MQBGYWHTDNWKSE-UHFFFAOYSA-N	404.308	3.729	10	20	HHCD	
Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)NCc2ccc(N(C)C)cc2)s1	785439410	OILQZXXOEIIEMH-UHFFFAOYSA-N	411.527	3.561	10	20	HHCD	
C[C@@H](Cc1ccco1)NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	787978493	YZFDMSALLNXMMT-CVEARBPZSA-N	417.937	3.533	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cn1	790108555	UDAGOPHPNWACID-LDHAAXQRSA-N	405.589	3.944	10	20	HHCD	
Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	793780215	CIQQZKTXIZONFT-FQEVSTJZSA-N	423.557	3.527	10	20	HHCD	
Cc1oc(C(C)C)nc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	795316445	NYZDCIYOUZDQRL-UHFFFAOYSA-N	411.424	3.892	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@H]1CN(Cc2ccccc2)CCC1(F)F	796412962	CNYARRDLCXKZNW-MRXNPFEDSA-N	411.543	3.899	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	797647230	BHHPGUKLTSIFFD-XXFAHNHDSA-N	404.335	3.910	10	20	HHCD	
CCn1ncc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C(F)(F)F	799237853	MZJNTNXIABQCDZ-ZDUSSCGKSA-N	411.428	3.641	10	20	HHCD	
C[C@H]1[C@@H](C)N(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC[S@]1=O	799993138	CVSKUPFIMBDHJU-CMYXBHLPSA-N	411.999	3.627	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1nc(COc2ccccc2)n[nH]1	802296514	DZKBHSGVPQMFGB-UHFFFAOYSA-N	409.490	3.601	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC(c2ccc(OC)c(F)c2)=NO1	802343916	ZMRQRJVEBDJQAX-QGZVFWFLSA-N	415.465	3.655	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cc(Cl)cc(Cl)c1O	804975122	FMLKBMYKDSIRJV-UHFFFAOYSA-N	410.301	3.535	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1CCC(c2ccccc2)CC1	805187697	TUMCOLIIPCRKNN-UHFFFAOYSA-N	407.558	3.801	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NCc1c(F)cccc1N1CCCC1	805754966	JUISMEPPDXUGBZ-UHFFFAOYSA-N	422.298	3.893	10	20	HHCD	
CN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1c2ccccc2-c2ccccc21	807287547	KFADBVRVXIFMQE-UHFFFAOYSA-N	423.516	3.907	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](c1ccccc1F)C1CCCC1	807290144	QVTGYGIPZGMCGW-QHCPKHFHSA-N	421.516	3.866	10	20	HHCD	
CC(C)(C)Oc1ccccc1NC(=O)C(=O)NCc1cc(Br)ccc1O	807386546	ADBFRMIQAILHPZ-UHFFFAOYSA-N	421.291	3.587	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)C2CC2)cc1	807504403	ACGWLTMWLYRKNX-CTNGQTDRSA-N	423.532	3.835	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3ccc(C(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1	813856006	WHECAEWDJYSUNV-FGTMMUONSA-N	413.537	3.992	10	20	HHCD	
CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc2ccccc2c1O	816481546	ZWFNORLAMAIYBT-UHFFFAOYSA-N	419.525	3.843	10	20	HHCD	
COCCNC(=O)C1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1	887564452	PLOAOZGVAWZBDW-UHFFFAOYSA-N	404.595	3.962	10	20	HHCD	
CCc1cccc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1	914704311	YMOKPGQFHGHJOS-UHFFFAOYSA-N	403.451	3.856	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](CN1CCCC1)c1ccccc1	916469130	IIQJQRJJMWOCTE-XMMPIXPASA-N	422.573	3.502	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC(F)F)c(F)c1	916691196	OWGLHPQYCIVBSP-UHFFFAOYSA-N	409.408	3.928	10	20	HHCD	
C[C@@H](NC(=O)CCc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)cc1	920880330	FWXZSBADFIRJRO-MRXNPFEDSA-N	404.457	3.935	10	20	HHCD	
Cc1nc(N(C)C)sc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1116431820	OGXYGAMRPGIOTA-CYBMUJFWSA-N	410.490	3.518	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cc2F)CC1	1116858308	QZOYQMBGAMQMMV-UHFFFAOYSA-N	413.512	3.812	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(OCC3CC3)nc2)cc1	1321458142	HNKFEXKKJDHNIC-JOCHJYFZSA-N	409.530	3.758	10	20	HHCD	
CC(C)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821293016	GZWBTWZVSPRHGG-ZDUSSCGKSA-N	424.860	3.528	10	20	HHCD	
Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCc3ccc(O)c(O)c3)cc12	216545281	LAWLYERRMIJSAG-UHFFFAOYSA-N	407.495	3.838	10	20	HHCD	
Cc1c(NCc2ccc(N3CCSCC3)cc2)nn2c(C(F)(F)F)nnc2c1C	301692066	YBCGIKBBHNBTPK-UHFFFAOYSA-N	422.480	3.925	10	20	HHCD	
COc1ccc(OC(C)C)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1	472803617	MYLPNYCNSYGYJK-UHFFFAOYSA-N	409.486	3.537	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1)C1=S=CC=C1	623595223	QOKMDSADZREYIC-UHFFFAOYSA-N	407.426	3.949	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(-c2cccs2)c1	726291657	LDACKKXYKUAJAN-UHFFFAOYSA-N	421.522	3.507	10	20	HHCD	
C[C@H](NC(=S)Nc1ccc2c(c1)OCCCO2)c1ccc(N2CCOCC2)cc1	727279398	OPYSOMKTFSAZRF-INIZCTEOSA-N	413.543	3.732	10	20	HHCD	
COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1	728838091	BLTRLHDZVAKWPK-UHFFFAOYSA-N	411.380	3.874	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1ccccc1C(F)(F)F	729755931	HTKMKFQMABDYRS-UHFFFAOYSA-N	408.420	3.516	10	20	HHCD	
Cc1ncsc1CN(C)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	731214452	PHQVACMYTNANNL-AWEZNQCLSA-N	419.506	3.686	10	20	HHCD	
CCOC(=O)Cc1csc(NC(=O)NCc2ccc(N(CC)CC)c(F)c2)n1	731361927	DZUAWGUSFCUCRX-UHFFFAOYSA-N	408.499	3.556	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(Br)ccc1F	732436055	XPVFZGXKWGQSMY-UHFFFAOYSA-N	408.271	3.747	10	20	HHCD	
CCN1CCN(C[C@@H](C)CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	733170486	NULOKWNSFPDBDQ-KRWDZBQOSA-N	416.997	3.751	10	20	HHCD	
O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCCCSc1nccs1	733973067	SHNUWSURBNWRCQ-UHFFFAOYSA-N	406.529	3.566	10	20	HHCD	
Cc1cc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c(C)n1-c1ccc(Cl)cc1	734454146	UQQNXYDWQQTXQC-NRFANRHFSA-N	414.981	3.600	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	734704258	YOSQKUJAGDKCKS-UHFFFAOYSA-N	411.836	3.571	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1	740907221	LOIOKOBFPLDDLO-PXNSSMCTSA-N	418.582	3.978	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)C2CC2)cc1	741900968	NZUCPCVGTNXNOI-XMMPIXPASA-N	405.542	3.997	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(C)o1	742751458	URYONYFBLPCYQP-LJQANCHMSA-N	401.507	3.958	10	20	HHCD	
COc1cccc(CNC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1O	745680838	MJWYOFCMTBNJCP-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
CCC[C@]1(C)CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	745691285	IURIFKRTYMKLGW-WMZHIEFXSA-N	400.567	3.500	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1	745797710	OPXFQEFUHBTERS-MRXNPFEDSA-N	417.550	3.717	10	20	HHCD	
Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)n2)cc1C	746779276	UGHAQJHNPUGMHJ-UHFFFAOYSA-N	408.527	3.748	10	20	HHCD	
C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	746820218	AOUYALGKYSGRFH-ZDUSSCGKSA-N	423.391	3.941	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)cc1	749631898	FYABIOSETCEWBW-UHFFFAOYSA-N	402.926	3.507	10	20	HHCD	
Cc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1	752298836	QKHRMFLGVALXEB-INIZCTEOSA-N	413.477	3.624	10	20	HHCD	
C[C@@H](NCC1(C(N)=O)CCCC1)c1cc(Br)cc(Br)c1O	756585718	MABPBXUHODVBGS-SECBINFHSA-N	420.145	3.614	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cncc(-c2ccccc2)c1	758101605	BLBQEIRZDODZGG-UHFFFAOYSA-N	403.482	3.630	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(c3ccc(N(C)C)cc3)C1=O)OCO2	758813579	AFDZEWFVNRVYGO-GIJQJNRQSA-N	414.508	3.896	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	758963883	KXVRTXYEARNMCC-GOSISDBHSA-N	411.546	3.851	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc(OC)c1OC	759219575	DGUXZHUCPCZZGW-IPMKNSEASA-N	416.562	3.968	10	20	HHCD	
CN(C)c1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2ccccc2n1	761688290	JMBGTYXSYXUQCA-UHFFFAOYSA-N	424.888	3.624	10	20	HHCD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1C1CC1	763120291	VVXWYWJQQOEWJF-INIZCTEOSA-N	409.534	3.587	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)cc1	766355986	ITADBVFHDGOHDZ-QZTJIDSGSA-N	404.432	3.955	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1	767306669	VSOHZZXDBIJWAP-LJQANCHMSA-N	401.473	3.768	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cccc(-c4cc[nH]n4)c3)cc2F)CC1	767923610	KITVBOPEFNXBHS-UHFFFAOYSA-N	422.508	3.679	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](CN3CCOCC3)c3ccccc3C)CC2)cc1	769134053	OAEQFRSOTNVTNV-RUZDIDTESA-N	409.574	3.636	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1	769235835	JSQDVJABPYYLED-KNQAVFIVSA-N	403.592	3.873	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/CCn4c3nc3cc(Cl)ccc3c4=O)cc2)CC1	771518611	SXBXNMUJVRYYRV-VKAVYKQESA-N	406.917	3.746	10	20	HHCD	
COc1cc(N(C)Cc2nc(COc3cc(C)cc(C)c3)no2)cc(OC)c1OC	772777312	OVBGBZWXBXLSAQ-UHFFFAOYSA-N	413.474	3.928	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NC[C@H](O)COc2ccccc2Br)cc1	773049161	ATDDWPSRDAVDSY-YJBOKZPZSA-N	407.352	3.996	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O	773765899	DCNRBJOFACPWOQ-LBPRGKRZSA-N	402.447	3.511	10	20	HHCD	
Cc1cc(Br)cc(CN2CCCN(C(=O)c3ccccc3)CC2)c1O	775653996	QTLWXDXUDPVPOT-UHFFFAOYSA-N	403.320	3.811	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@H](N2CCCC2)C1	775668661	FUNLOCCASXBGAV-ZDUSSCGKSA-N	404.146	3.587	10	20	HHCD	
COc1ccc2[nH]c3c(c2c1)C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)CC3	782757842	LDFZKTPFUPEJCQ-KRWDZBQOSA-N	409.505	3.799	10	20	HHCD	
CCCN(CC)c1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1	786655590	FZOFVSWVJZBWAG-UHFFFAOYSA-N	422.573	3.521	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1ccc(N2CCOCC2)cc1	788236816	YAFBXGRDCSTFMW-GCJKJVERSA-N	423.557	3.604	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(OCC(C)C)c1	788762528	OOHWWRFVXDPPLD-UHFFFAOYSA-N	416.493	3.636	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cn1	790106320	CHFNNZZEKPXGGY-JXAWBTAJSA-N	413.568	3.608	10	20	HHCD	
Cc1cc(C(=O)N2CCn3cnnc3[C@@H]2C)c(C)n1-c1cccc(Br)c1	791161895	OBCGKWBOKYZXBQ-AWEZNQCLSA-N	414.307	3.665	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnn(-c2ccccc2)c1	791249943	NBYRWXCKYPGYET-UHFFFAOYSA-N	420.513	3.875	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1	792073976	FWKJRCRMSMQRER-QGZVFWFLSA-N	404.555	3.635	10	20	HHCD	
COCCCOC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1	800724814	FMQLZCRECMBSDD-UHFFFAOYSA-N	423.561	3.912	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccc(Br)cc1Cl	808094539	TUUCIVHJBQFTRV-UHFFFAOYSA-N	419.699	3.989	10	20	HHCD	
CCOc1ccc(CN(CCN2CCNC2=O)c2ccc(OC)c(Cl)c2)cc1	808734875	HMYYOBIDZQITGF-UHFFFAOYSA-N	403.910	3.779	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cc(Br)ccc3O)CC[C@@H]21	814176879	UYFNKAJKIHQINU-BBRMVZONSA-N	411.340	3.986	10	20	HHCD	
O=C(Nc1cccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1)NC1CC1	820006231	OWELFDJMYRZADV-UHFFFAOYSA-N	412.453	3.933	10	20	HHCD	
Cc1cccc(C)c1OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	917712963	YOAOYONKOTYFEE-QZTJIDSGSA-N	400.494	3.751	10	20	HHCD	
COCc1cccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	918212739	XINNBOIEQPDOKC-CALCHBBNSA-N	415.509	3.585	10	20	HHCD	
O=C(Nc1ccccc1C(F)(F)F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918294228	DGLFVYXFDQZLCT-OAHLLOKOSA-N	422.403	3.557	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Br)ccc2C)cc1	918428967	GBBRZZLFDSVMNV-UHFFFAOYSA-N	418.335	3.859	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1	918434530	PBERXJNWPWKRPA-UHFFFAOYSA-N	409.408	3.528	10	20	HHCD	
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)N(C)Cc1ccccc1O	918443941	HQDGOXRXNNKZRP-UHFFFAOYSA-N	417.465	3.550	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1	919788653	SGWQZGPTYCEGBF-RTBURBONSA-N	418.651	3.796	10	20	HHCD	
O=C(CN1CCCc2cc(OC(F)F)ccc21)NCCc1cccc2cccnc12	919802882	DUJARBOYLHFKNP-UHFFFAOYSA-N	411.452	3.948	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-c2csnn2)cc1	919914222	DCXCHZDLQSXCIS-UHFFFAOYSA-N	409.515	3.706	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cn2)n1	920871951	MAOYQUBXPLAJPI-GOSISDBHSA-N	420.517	3.603	10	20	HHCD	
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	920873081	KSYNRHGWSNVNJP-MRXNPFEDSA-N	410.518	3.923	10	20	HHCD	
Cc1noc(-c2ccc(C(=O)Nc3c(C4=S=CC=C4)nc4ccccn34)cc2)n1	1318169305	FAGMEOFAYCJSCS-UHFFFAOYSA-N	401.451	3.571	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC2)cc1	1319492356	WNJSHZIEKTVJIH-UHFFFAOYSA-N	412.505	3.621	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(OC)ccc3Br)CC2)cc1	1324297747	FEYIPEYQOZXTIG-UHFFFAOYSA-N	419.319	3.819	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)C)CCO3)cc1	1781754062	RCVXZXDWCFJTAZ-VWLOTQADSA-N	423.557	3.584	10	20	HHCD	
CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CC1	1816663848	RHZJHGPXWUUNCE-CQSZACIVSA-N	418.881	3.580	10	20	HHCD	
COc1ccc(-n2ccn(CN(C)Cc3ccc(N4CCOCC4)cc3)c2=S)cc1	16878849	MZBBSKXOGKPPJW-UHFFFAOYSA-N	424.570	3.943	10	20	HHCD	
C[C@@H]1Oc2ccccc2N(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O	248054857	YELUFIXSVXDPGP-KRWDZBQOSA-N	420.465	3.718	10	20	HHCD	
Cc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2O)n(-c2ccc(F)cc2)c1C	303367518	KQAJLOAWTXOSKG-UHFFFAOYSA-N	406.461	3.881	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3nc(C)c(C(=O)OC)s3)ccc21	481972114	FWRCYGDGETZHJW-UHFFFAOYSA-N	401.488	3.708	10	20	HHCD	
O=C(Nc1ccc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1)C1=S=CC=C1	485848505	QWRNAMGZOARNFY-UHFFFAOYSA-N	422.897	3.994	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)n(C)c2ccccc12	511444639	BUHOJDBONKBRHP-VQTJNVASSA-N	403.526	3.946	10	20	HHCD	
O=S(=O)(Nc1cccc(OCc2cscn2)c1)c1cccc2nsnc12	523701078	VXEZYQLGKLWTMN-UHFFFAOYSA-N	404.498	3.528	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1	726627886	OWPFQBGNWMRZLI-UHFFFAOYSA-N	423.557	3.508	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc4c(cc3Cl)OCO4)CC2)cc1	726695500	VWZUUMPOAPOIFM-UHFFFAOYSA-N	403.866	3.868	10	20	HHCD	
Cc1cc(C(=O)Oc2ccc(NC(=O)c3cnn(C)c3)cc2)c(C)n1-c1ccccn1	727808806	UMBDTAKVAAHSMU-UHFFFAOYSA-N	415.453	3.694	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1	729536216	XKAOIDHZJCAYAV-HNAYVOBHSA-N	414.502	3.714	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCN(c4ccccc4O)CC3)cc2)CC1	731121371	SXJYTLUFUJSXSO-UHFFFAOYSA-N	408.546	3.660	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)CSC)c2C)cc1	731389530	JAIOYHKDAASYPY-ZDUSSCGKSA-N	403.500	3.606	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1F	731398948	XXZMGYIFDSVYPD-ZDUSSCGKSA-N	400.454	3.713	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H](CO)c3c(F)cccc3F)cc2)CC1	734669052	OYDMDZHJXKWWPP-HXUWFJFHSA-N	403.473	3.734	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCO4)cc2F)C[C@@H](C)O1	735237625	HUJSBGXBIFZIGG-OKILXGFUSA-N	417.506	3.655	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCC3Cc4ccccc4C3)cc2F)C[C@@H](C)O1	735326564	PSQZOOPIUKNAIX-IAGOWNOFSA-N	411.521	3.654	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(OC)c1	740904513	GBAHCQOYVUWBMZ-XMMPIXPASA-N	422.573	3.954	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl	740908153	XHHGTQFZKMICMJ-KBXCAEBGSA-N	421.875	3.810	10	20	HHCD	
CN(c1ccc(CNC(=O)NCCNC(=O)c2cccs2)cc1)C1CCCCC1	742758934	PMOFQDQFGQVZES-UHFFFAOYSA-N	414.575	3.746	10	20	HHCD	
O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805784	NXADEOWOWSJUHD-OAHLLOKOSA-N	405.401	3.524	10	20	HHCD	
C[S@](=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743150698	GSKQLCVDSWNVCC-HOLBHBGLSA-N	423.485	3.816	10	20	HHCD	
COC(=O)c1cc(NC(=O)N(C)Cc2ccccc2O)c(Br)cc1F	743192144	KQZMHTLDURWZDG-UHFFFAOYSA-N	411.227	3.744	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(N4CCOC4=O)ccc3C)CC2)cc1	743242516	JWQSXXOLAFRLQL-UHFFFAOYSA-N	424.501	3.751	10	20	HHCD	
O=C(COc1ccc(Br)cc1F)NCc1c(O)ccc2c1CCCC2	743719160	RGUHQLDLNCBVSH-UHFFFAOYSA-N	408.267	3.868	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]cc1-c1ccc2c(c1)OCCO2	743719195	TYKCGQHPMDKIGS-UHFFFAOYSA-N	404.466	3.967	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccc3nc[nH]c3c2)NC(=O)OC(C)(C)C)cc1	743725366	RDPFANGNCZAMFO-FQEVSTJZSA-N	423.517	3.625	10	20	HHCD	
COc1ccccc1[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)N1CCCC1	745293691	SPYDFSDRONJDKV-QFIPXVFZSA-N	423.557	3.916	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3cccc(CN4CCN(C)CC4)c3)c2)CC1	746290028	UFDYIHXCYRJSMS-UHFFFAOYSA-N	406.574	3.923	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCOc2ncccc2F)cc1	747450949	UYIWHMRSADNYAR-UHFFFAOYSA-N	412.465	3.671	10	20	HHCD	
CCCOCCOC(=O)c1ccnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1	751220116	SSYSNWOSUUYEBB-UHFFFAOYSA-N	406.486	3.835	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(C)c2Br)c1	751316915	DMMGESCLXLYGCO-NSHDSACASA-N	400.294	3.511	10	20	HHCD	
COc1ccc2c(ccn2CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	751406361	PUZIDRWBXDUUMF-HSZRJFAPSA-N	421.541	3.924	10	20	HHCD	
CCc1ccc([C@H](C)NC(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1	751937702	UGRBYXMRNINHRU-HNNXBMFYSA-N	423.538	3.913	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1O	752828455	OIIYYQMUBVLURK-HNNXBMFYSA-N	422.869	3.958	10	20	HHCD	
COCCCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCOC1	752832726	FWLGJKWWQKAMNC-HXUWFJFHSA-N	423.561	3.862	10	20	HHCD	
C[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)c(Cl)c1O	756361010	HMIQYQNFUGPMHF-NSHDSACASA-N	400.306	3.604	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)c1	756595479	VUDQGLFEWIBHSY-ROUUACIJSA-N	412.530	3.729	10	20	HHCD	
C[C@@H](NCc1csc(CNC(=O)c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1O	756644032	XYTHTUNOQWZKOI-CYBMUJFWSA-N	412.471	3.538	10	20	HHCD	
COc1cc2c(cc1OC)CN(C(=O)CCCN[C@@H](C)c1cc(F)ccc1O)CC2	756709493	XMIDOBBFSNEFDZ-HNNXBMFYSA-N	416.493	3.564	10	20	HHCD	
CCc1cc(N2CCC[C@H](N[C@H](C)c3cc(Br)c(F)cc3O)C2)ncn1	756711749	NESZMDDZHCODAT-OCCSQVGLSA-N	423.330	3.966	10	20	HHCD	
C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Br)cc(Cl)c1O	756804718	YPUALFHLWUULAJ-LLVKDONJSA-N	424.726	3.917	10	20	HHCD	
Cc1ncc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(Cl)c1Cl	758502963	BGOWMLFPQSNTMH-UHFFFAOYSA-N	410.301	3.578	10	20	HHCD	
Cn1nc(C(F)(F)F)c(/C=C2\SC(=S)N(c3cccnc3)C2=O)c1Cl	758912751	YFSNTLGBLIYNDM-UITAMQMPSA-N	404.826	3.893	10	20	HHCD	
CN(C(=O)NCCCSc1nccs1)[C@H]1CCCN(Cc2ccccc2)C1	759588791	ASIHZLVJRBVBRI-SFHVURJKSA-N	404.605	3.931	10	20	HHCD	
COC(=O)[C@@]1(C)CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	759757690	WFEGVOUEOHXGTN-DEOSSOPVSA-N	407.466	3.859	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1noc(-c2ccccc2)n1	761631768	WNWPCCMWBDSIRZ-MRXNPFEDSA-N	423.542	3.850	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1Br	761995914	PJVPDKWKLNJYFU-UHFFFAOYSA-N	404.257	3.882	10	20	HHCD	
Cc1onc(-c2ccccn2)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	764927320	YLARYGUCZMWHQI-HUUCEWRRSA-N	424.476	3.728	10	20	HHCD	
C[C@H](OCc1ccccc1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	769605384	OATLCXOOZWDYHN-JXFKEZNVSA-N	402.922	3.732	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	769865200	NBLREPYNNRPWRN-HDICACEKSA-N	422.504	3.863	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4ccc(F)cc4C3)cc2F)C[C@@H](C)O1	771204587	POCQGDRNFAQQCC-IYBDPMFKSA-N	415.484	3.846	10	20	HHCD	
COc1cc(Br)cc(CN2CCCN(Cc3ccccc3)CC2)c1O	772599729	NINLWEUOUUQEEA-UHFFFAOYSA-N	405.336	3.871	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1O	775072676	XYVWYRDYXCJCAK-INIZCTEOSA-N	413.396	3.720	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCOc2cc(F)ccc21	776895947	IYQXNCSEKZZAQX-LJQANCHMSA-N	417.456	3.515	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	779144616	AJKJWLZMTITSPA-OAHLLOKOSA-N	411.285	3.611	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(Cl)ncc1Cl	780989485	ANQRZSPFJWOTDG-UHFFFAOYSA-N	403.649	3.563	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c(C)n1	783487180	VNOGPSZROHWUCO-MRXNPFEDSA-N	404.470	3.714	10	20	HHCD	
CC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1C	785540060	YMKMRVWTTBODOC-UHFFFAOYSA-N	406.530	3.738	10	20	HHCD	
CCOc1ccc(CNc2ccc(N3CCN(C)CC3)c(Br)c2)c(O)c1	786838138	YOPFWMIUWFQJRR-UHFFFAOYSA-N	420.351	3.917	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1	789901609	QMZYIWQZFHFOMG-HSZRJFAPSA-N	412.578	3.986	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)cn1	790106553	OAUQTWMULVPEGV-CXUHLZMHSA-N	421.494	3.848	10	20	HHCD	
CCc1c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cnn1C(CC)CC	792208332	FDEMWYHUWIZBBR-UHFFFAOYSA-N	411.550	3.662	10	20	HHCD	
O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@@H]1c1ccc(Br)cc1	793383888	ISWJGWROYWXIFJ-OAHLLOKOSA-N	413.674	3.620	10	20	HHCD	
CCOc1cccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	793827203	JZTONKMGRRYRPN-KRWDZBQOSA-N	409.530	3.520	10	20	HHCD	
CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1	796389197	ZAEHBLWMEUSAHZ-UHFFFAOYSA-N	413.455	3.738	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C	797651965	VDLGCSMOMCTNDR-NSHDSACASA-N	402.401	3.529	10	20	HHCD	
CCn1ncc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1C(F)(F)F	799262287	QTFZQSKZFVQEHG-UHFFFAOYSA-N	423.439	3.666	10	20	HHCD	
O=C(NCc1ccc(I)c(Cl)c1)NCc1ccccc1O	800025258	KHUPGGPSRPGZGG-UHFFFAOYSA-N	416.646	3.650	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1[C@H](C)CC(C)C	802609866	NHZUKRBIDYXUMV-QGZVFWFLSA-N	400.523	3.963	10	20	HHCD	
Cc1cc(C(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)c(C)n1-c1cccc(Cl)c1	804439633	YFZJMJNKBOJOHU-QRWLVFNGSA-N	401.938	3.683	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccccc2Cl)CC1	807318891	MSZGLGSHUHRQFT-UHFFFAOYSA-N	400.906	3.632	10	20	HHCD	
C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)C1=O	807836885	SSKYYKNLWYOZJF-LLVKDONJSA-N	409.269	3.519	10	20	HHCD	
Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C	807838528	VWPNSYCMHXHNLC-UHFFFAOYSA-N	402.299	3.649	10	20	HHCD	
O=C1/C(=C\c2cn3ccc(Br)cc3n2)SC(=S)N1c1cccnc1	811686237	ROMFWACWEHLVSV-NTUHNPAUSA-N	417.313	3.898	10	20	HHCD	
CCc1nc(C)c(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)o1	813621634	CKVCJHCVDXBANZ-UHFFFAOYSA-N	408.449	3.615	10	20	HHCD	
CCOCC(C)(C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	818026031	BCQMGOKPSIUVQU-SDNWHVSQSA-N	412.602	3.661	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1OC	914577170	JUSXVIUBJGQJJQ-UHFFFAOYSA-N	420.487	3.866	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccccc2F)c(C)n1-c1ccccn1	914903360	LGXXRDQYKVITAB-HNNXBMFYSA-N	424.432	3.522	10	20	HHCD	
O=C(NCc1ccccc1Cn1cccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916227909	ORLUBJXGBZAOFA-QFIPXVFZSA-N	420.513	3.528	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@H]3c3ccccc3Cl)nc12	917165554	YELVPERNWBYMSK-QGZVFWFLSA-N	400.866	3.602	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1	917832560	ARQSLVAIEZSGKI-LJQANCHMSA-N	423.532	3.656	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CCCc2ccccc21	918117311	KCOUWUHUXPQJIV-REWPJTCUSA-N	420.557	3.607	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1	1318311373	SXWVFMJUCMEBNJ-NRFANRHFSA-N	408.546	3.589	10	20	HHCD	
C[C@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	6012358	YUJNCOSWQLXVOM-MARXPDLDSA-N	415.401	3.639	10	20	HHCD	
COc1ccc2cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c(C)nc2c1	10907978	OIULTIFUIDPQKY-UHFFFAOYSA-N	405.498	3.661	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1	24088736	NPJZZUHOUQTRIV-UHFFFAOYSA-N	422.356	3.944	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCCOc3c(C)cccc3C)CC2)cc1	69070340	IBKNQNQNGZXEHX-UHFFFAOYSA-N	414.571	3.773	10	20	HHCD	
CCc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1S(N)(=O)=O	109309332	GVZUDZYHVADVPF-UHFFFAOYSA-N	411.527	3.865	10	20	HHCD	
CCCN(CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)Cc1ccccc1O	111087340	UQPAEYKKPNOFJL-OAQYLSRUSA-N	412.530	3.985	10	20	HHCD	
Cc1c(CNC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)n(C)c2ccccc12	472224578	RKJZBCDFSOAXPR-UHFFFAOYSA-N	422.504	3.684	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@](O)(C(F)(F)F)CC3)ccc21	553471277	GMWYNFAXRYLPMF-FQEVSTJZSA-N	412.452	3.824	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cc4c(cc3OC)C[C@H](C)O4)SC2=S)cn1	726985619	CWYAHFFJRXDXNF-DTQASYIRSA-N	414.508	3.828	10	20	HHCD	
Cc1cc(C(=O)COc2cccc[n+]2[O-])c(C)n1-c1ccc(Br)cc1	727472252	VIDREMIKKPRNOY-UHFFFAOYSA-N	401.260	3.752	10	20	HHCD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728838923	AQIDLPYPZMZJKG-LIRRHRJNSA-N	408.420	3.872	10	20	HHCD	
CCOC(=O)c1c(NC(=O)COc2nc(C)no2)sc(C)c1-c1ccccc1	730731089	WTDBZROYJOEJHA-UHFFFAOYSA-N	401.444	3.609	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1	732278472	OENKOIFIRHJCLL-FQEVSTJZSA-N	424.564	3.643	10	20	HHCD	
CNc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc(Cl)n1	732283194	RSVUXNXFIQZALH-UHFFFAOYSA-N	410.852	3.777	10	20	HHCD	
Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	736196768	VUTGUAKEWUGAAC-UHFFFAOYSA-N	407.558	3.734	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)Sc1ccccc1	743692338	XESLWGKUCIUGKH-SFHVURJKSA-N	413.587	3.875	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(C)C)c1O	743916170	SUZNZFYCUQKLQH-UHFFFAOYSA-N	408.907	3.810	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc([N+](=O)[O-])c1	745784101	MSPQPXQNRUACCV-UHFFFAOYSA-N	408.252	3.795	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1	746031553	VDKZXXCXQUNRDD-QFIPXVFZSA-N	423.517	3.955	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3cnn(C)c3)CC2)c(C)n1-c1ccc(C(C)C)cc1	746349365	AZIWZLBKIJMYER-UHFFFAOYSA-N	405.546	3.913	10	20	HHCD	
CCO[C@@H](CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCCC1	747511705	MSVNAVOISHLJMS-QFIPXVFZSA-N	403.567	3.650	10	20	HHCD	
C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1	747951010	LOIJZMYKDDDWGQ-LJQANCHMSA-N	407.562	3.707	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1	749567068	GVPVNNCWLJSNSF-UHFFFAOYSA-N	416.481	3.707	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCSC(C)(C)C2)c([N+](=O)[O-])c1Br	751240344	XVCNAXYMKLMKDG-UHFFFAOYSA-N	406.258	3.606	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	752149849	OMUSKUFQVZZMPV-KFWWJZLASA-N	418.513	3.647	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(CCC(F)(F)F)CC1CC1	752895889	SMNKFYKMWVUYPR-UHFFFAOYSA-N	417.447	3.661	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1	753640026	GQLYDSVSMOORES-LBPRGKRZSA-N	402.397	3.711	10	20	HHCD	
CCOC(=O)c1ccc(NC(=S)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753963972	UYTPXMFIBQDLKS-UHFFFAOYSA-N	417.506	3.530	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C4CCC4)cc3)cc2)C1	755296692	JTCJVDMGPAEPCQ-JOCHJYFZSA-N	420.557	3.655	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CCOCC1)c1ccc(Br)cc1O	756362056	IUIYFOHBSKFVBZ-OAHLLOKOSA-N	405.336	3.838	10	20	HHCD	
C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cc(Br)c(F)cc1O	756431616	OEGHLFCZMLKKLS-OLZOCXBDSA-N	424.314	3.765	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2sc(C)nc2C)nc1-c1ccccc1	757552778	YPRKGKIQQUISQI-UHFFFAOYSA-N	423.541	3.861	10	20	HHCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)NC(c1ccccc1)c1ccccc1	759590812	AKWAPISCNOCAPW-VOGRQWBCSA-N	417.461	3.949	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC2(CC1)OCc1ccccc12	760158202	FZMYWIVJBRMHHL-UHFFFAOYSA-N	423.582	3.971	10	20	HHCD	
Cc1c(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)oc2ccc(F)cc12	760546438	VOUVKPCOIAZFLN-OAHLLOKOSA-N	418.490	3.756	10	20	HHCD	
C[C@@H](COc1ccc(F)cc1F)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761125177	USZMOMUOKVCWDG-NSHDSACASA-N	410.804	3.556	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1	766248458	OHNIONPDEKNFEM-HXUWFJFHSA-N	419.472	3.946	10	20	HHCD	
Cc1nn2c(CN[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c(C)nc2s1	766470972	RLYIFTITWSABOT-INIZCTEOSA-N	405.955	3.521	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)c2C)cc1	766954243	YAQFTJSLYQTYFK-VWNXMTODSA-N	420.557	3.907	10	20	HHCD	
C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	767774889	RWKDATVUNVQDCO-NSISKUIASA-N	422.525	3.541	10	20	HHCD	
Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1	768009835	VUVMEXKZFRYASX-UHFFFAOYSA-N	419.529	3.625	10	20	HHCD	
Cc1noc(C2CC2)c1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	768084915	YETIHQHIWZXDTQ-UHFFFAOYSA-N	410.518	3.884	10	20	HHCD	
C[C@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1ccc(N2CCOCC2)cc1	769886446	OBWILKUVFRDFLF-AWEZNQCLSA-N	418.419	3.681	10	20	HHCD	
CC1(C)C[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc21	770346272	BWKQWCUVDURDJA-XMSQKQJNSA-N	420.557	3.610	10	20	HHCD	
Cc1cc(C(=O)N2CCCC3(C2)OCCO3)c(C)n1-c1cccc(Br)c1	772701143	ASBKUBLDESYUJC-UHFFFAOYSA-N	419.319	3.836	10	20	HHCD	
O=S(=O)(c1cnn(CC(F)(F)F)c1)N(Cc1ccccc1O)C1CCCCC1	772701903	VRYAWHCCWKXZLV-UHFFFAOYSA-N	417.453	3.675	10	20	HHCD	
COc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	773310100	LYMFBYAMSWGVQG-UHFFFAOYSA-N	415.921	3.840	10	20	HHCD	
C[C@H](NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)c1ccc(N(C)C)cc1	773626999	VMCWLCSWJZEXFR-KRWDZBQOSA-N	412.509	3.510	10	20	HHCD	
C[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cc(Cl)c(Cl)cc1O	774171389	LKXUVVZWKCQIMY-NSHDSACASA-N	404.315	3.832	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1O	774884394	LZUGPNJWORZCLH-UHFFFAOYSA-N	424.375	3.821	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCc3c(F)cc(Br)cc3C2)c1O	774912506	OFYBOIKGWFCIEX-UHFFFAOYSA-N	411.227	3.769	10	20	HHCD	
COCCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	777211540	LXCSAPOHMVXXOJ-XZOQPEGZSA-N	414.546	3.768	10	20	HHCD	
CCC1(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCOCC1	778804292	CFLCFMOUZOXTEZ-LJQANCHMSA-N	419.566	3.641	10	20	HHCD	
Cc1noc(C)c1CSCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	781132856	VSNKFIWSMCXXTP-UHFFFAOYSA-N	406.463	3.939	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)c2)no1	784107024	CBAXRQGQDRFREE-UHFFFAOYSA-N	419.485	3.789	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cc1	784666069	OKXRDNFBHVBDPP-UHFFFAOYSA-N	419.472	3.853	10	20	HHCD	
C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc(Br)cc(Br)c1O	785989149	SMVQUECJNRNICG-BFVZDQMLSA-N	407.146	3.899	10	20	HHCD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)o1	787323461	DNCXTXIDYUZVGD-HNAYVOBHSA-N	408.454	3.547	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@H](C)c2c(C)cc(C)cc2O)s1	788588437	MUEJPUPMQFFBDJ-MRXNPFEDSA-N	410.605	3.994	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3cc4ccccc4s3)CC2)c1O	789371434	ZPJXCXNNGXEMQC-UHFFFAOYSA-N	412.486	3.907	10	20	HHCD	
Cc1ccc([C@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2)c(C)c1	792037892	FVZOZXIXWUOFLE-FQEVSTJZSA-N	411.521	3.978	10	20	HHCD	
C[C@@H](Nc1cc(F)c(N2CCOCC2)cc1F)c1ccc(N2CCOCC2)c(F)c1	797144157	VABIJJVQHXQLQG-OAHLLOKOSA-N	421.463	3.950	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccc2c(cnn2C(F)F)c1	797746915	AUIFZXCAUJOLNS-UHFFFAOYSA-N	424.791	3.909	10	20	HHCD	
COc1cc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)ccn1	799860918	BBBJIKBTIDFBKL-HNNXBMFYSA-N	402.926	3.979	10	20	HHCD	
CCc1nc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n[nH]1	800721163	YBCVUQDOHOWMON-KGLIPLIRSA-N	404.946	3.817	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(NC(C)=O)c1C	802609774	KVVSIDJPIFJAJM-UHFFFAOYSA-N	411.502	3.735	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2ccccn2)cc1)C1CCCCC1	803678573	DUIGMXJXIJKVBH-HSZRJFAPSA-N	420.557	3.830	10	20	HHCD	
COc1ccc(-n2c(SCC(=O)C(C)=O)nnc2-c2ccccc2)cc1Cl	808010595	DXEPWJVKBDKAAC-UHFFFAOYSA-N	401.875	3.847	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H]3CCc4c3ccc(OC)c4F)CC2)cc1	808673619	QZPACQLXXWMIBX-JOCHJYFZSA-N	413.537	3.632	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)CC2)cc1	813788453	LUTKBIPQQPLXBU-LPHOPBHVSA-N	407.530	3.601	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1	817768316	KMZACIBSHXXYCH-FAOGRTBUSA-N	402.288	3.965	10	20	HHCD	
C[C@H](CCc1ccco1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	843317931	DAIHGOSNSGVKSG-CYBMUJFWSA-N	418.405	3.714	10	20	HHCD	
CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccccc1Cl	915218944	GUXPPKZSNLNZCR-UHFFFAOYSA-N	401.938	3.519	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)cc1	915831606	KTQCEZIYJIOQOW-UHFFFAOYSA-N	407.562	3.941	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccccc1CN1CCCC1	916221424	JRHSNXJZTLXFPI-UHFFFAOYSA-N	424.614	3.835	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1	916502532	IAPPIIFUZVWZTL-UHFFFAOYSA-N	423.416	3.981	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)NC[C@@H](C)c3ccccc3)sc2n1	916525675	PMRSSGRTWCZPTC-HIFRSBDPSA-N	411.527	3.961	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c(F)cc1F	916625006	ASHAUGQEYJCJFI-UHFFFAOYSA-N	421.469	3.626	10	20	HHCD	
Cc1ccn(-c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2)n1	917712295	IMBFPVZXJBPIKZ-ROUUACIJSA-N	422.504	3.863	10	20	HHCD	
C[C@@H](OC(=O)CCC(C)(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	919290728	HTTMXBALEXXBQL-GFCCVEGCSA-N	415.392	3.768	10	20	HHCD	
COc1cccc(N2CCC(NC(=O)NCCCSc3nccs3)CC2)c1	1116260225	KSRPQGCZMXNNMB-UHFFFAOYSA-N	406.577	3.602	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(-c2ccncc2)c1C	1116404052	PIXWCOYLPZEAFW-UHFFFAOYSA-N	415.291	3.706	10	20	HHCD	
CC(C)n1ncc2c1[C@H](NC(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CCC2	1320267151	GQCLQOAZBFXRMU-LAUBAEHRSA-N	411.550	3.738	10	20	HHCD	
CC(C)N(CCc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1326469620	FOKYBZFIWSQPFS-JOCHJYFZSA-N	422.573	3.551	10	20	HHCD	
CCCCCc1nnc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1	65450346	DCGBEEJMEHHSOI-HNNXBMFYSA-N	403.552	3.990	10	20	HHCD	
Fc1cc(CNc2nc(-c3ccccn3)nc3c2CCC3)ccc1N1CCOCC1	301324117	XDUNRLQVYABDQH-UHFFFAOYSA-N	405.477	3.615	10	20	HHCD	
Cc1c(CNC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)n(C)c2ccccc12	471232488	YQUFLGNYMZTRMH-UHFFFAOYSA-N	405.498	3.847	10	20	HHCD	
CC(C)c1noc(CCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	726568066	UXYAYCHUWIBCMR-UHFFFAOYSA-N	408.449	3.512	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(F)ccc1F	726603392	GGTFPSTYFVCMDC-UHFFFAOYSA-N	418.412	3.514	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCCN(c4ccccc4)CC3)CC2)cc1	726714186	UWMKWSBXXZNHPO-UHFFFAOYSA-N	408.546	3.586	10	20	HHCD	
C[C@H](NC(=O)N1CCO[C@H](c2ccccc2F)C1)c1ccc(N2CCOCC2)cc1	727478477	STULSYADBDPEKK-JTSKRJEESA-N	413.493	3.506	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1	728837045	KRDXOGMGPOGCRV-KRWDZBQOSA-N	405.420	3.770	10	20	HHCD	
CS(=O)(=O)c1ccc(OCCCN(Cc2ccco2)Cc2ccccc2O)cc1	732202466	RIRQBILKYHEABE-UHFFFAOYSA-N	415.511	3.860	10	20	HHCD	
O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCCSc1nccs1	733880444	IKMJFNYOZBFPLD-UHFFFAOYSA-N	424.598	3.755	10	20	HHCD	
COc1ccc(N(CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)CC(C)C)cc1	734146679	GNTVTSZCNZKSKK-UHFFFAOYSA-N	418.559	3.980	10	20	HHCD	
CCn1cc(N=c2scc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2)cn1	741156305	ZDVCJESPRSFLTQ-UHFFFAOYSA-N	407.547	3.513	10	20	HHCD	
O=S(=O)(CC1CCCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742333981	BXGFPDDDWFXKEN-INIZCTEOSA-N	402.507	3.757	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NCc3nccn3CC(F)(F)F)C2)cc1	742385038	QRFFETDXYGQDSR-CYBMUJFWSA-N	404.383	3.805	10	20	HHCD	
C[C@@H]1CN(c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cn2)C[C@@H](C)O1	742475768	XXQSUKFXQBLVNK-RTBURBONSA-N	408.546	3.616	10	20	HHCD	
C[C@H]1CN(CCCNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@@H](C)O1	743341080	FOEWRVPSLIXBKO-BGYRXZFFSA-N	416.610	3.754	10	20	HHCD	
CN(C)C(=O)[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743484941	JYGBFQQIYJEFCS-YLJYHZDGSA-N	403.473	3.676	10	20	HHCD	
CC(C)n1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	743623283	CAIKJWWTKVPROA-INIZCTEOSA-N	407.465	3.534	10	20	HHCD	
COCCn1ncc2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc21	746770499	BGVQTFIEMVFSES-UHFFFAOYSA-N	407.518	3.945	10	20	HHCD	
CCCC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	748373240	ASMYMKVOFWWLRL-FQEVSTJZSA-N	414.477	3.750	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)C[C@@H]2CCOC2)sc(C)c1-c1ccccc1	749845817	CGFWEYZXYVSDEG-INIZCTEOSA-N	416.543	3.807	10	20	HHCD	
CCOC(=O)[C@@H](Cc1ccccc1)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751946423	ZNIIDJSDFSWUPA-LJQANCHMSA-N	410.495	3.647	10	20	HHCD	
COCCCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCOC1	752832673	FWLGJKWWQKAMNC-FQEVSTJZSA-N	423.561	3.862	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1F	753746664	QOURZUHOMZOHAM-UHFFFAOYSA-N	415.446	3.920	10	20	HHCD	
CC(C)[C@@H](O)C(C)(C)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754661240	JBWWMNIMYCMXOA-CRAIPNDOSA-N	413.509	3.599	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@@H](C2CCOCC2)C1	755064965	TUGGUYODMGZQLH-QGZVFWFLSA-N	423.504	3.715	10	20	HHCD	
C[C@@H](NC(=O)CSc1nc(-c2ccccc2)no1)c1ccc(N2CCOCC2)cc1	755166402	UQPRZEPDHDDOJV-MRXNPFEDSA-N	424.526	3.543	10	20	HHCD	
CCCCCC(C)(C)CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	755198065	FPINKKLLCNRESH-IBGZPJMESA-N	402.583	3.794	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@H](C)c2ccc(C)c(C)c2O)s1	756536799	VLVJJSDBOAMOIZ-MRXNPFEDSA-N	410.605	3.994	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c1	758343487	MNDRYFMGEUOUBB-IBGZPJMESA-N	419.319	3.617	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc(OC)c1OC	759222522	SUKPFYMFOXPJMM-UHFFFAOYSA-N	416.543	3.615	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@H](C)c3ccccc3F)CC2)cc(OC)c1OC	759243408	WXCIDRRJXADGHB-INIZCTEOSA-N	416.493	3.694	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cncnc2)c(C)n1-c1cccc(C(F)(F)F)c1	760810288	RZTUFQTUXQMVMV-UHFFFAOYSA-N	403.360	3.943	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1	763280358	RURLNIMNABBPNG-CQSZACIVSA-N	400.475	3.735	10	20	HHCD	
CC(C)(C)CN1CCC[C@@H](OC(=O)c2csc(Cc3ccc(N)cc3)n2)C1=O	764581756	RZISQWFHYLXTDZ-QGZVFWFLSA-N	401.532	3.510	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1	766047850	LTISKZWRQBMCSH-UHFFFAOYSA-N	409.410	3.925	10	20	HHCD	
Cc1nc(CCOC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cs1	767495999	OIYXTUPPLHODMG-UHFFFAOYSA-N	422.418	3.535	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCOC4(CCOCC4)CC3)c2C)cc1F	769230537	UQIQQVYBJAFWPY-UHFFFAOYSA-N	414.521	3.996	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1	769805839	PGCFHYLMSSHFFM-UHFFFAOYSA-N	422.466	3.559	10	20	HHCD	
C[C@H](NC(=O)N1CCSC[C@H]1c1nccs1)c1ccc(N2CCOCC2)cc1	771310664	MSTFDFRJFDLLFC-YJBOKZPZSA-N	418.588	3.540	10	20	HHCD	
CN1CCN(c2ccc([C@@H]3Nc4ccccc4C(=O)N3Cc3cccnc3)cc2)CC1	771517076	CGOLVHXZMHTNHB-XMMPIXPASA-N	413.525	3.600	10	20	HHCD	
C[C@H]1CN(Cc2cccc(CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2)CCO1	773244857	IITLLXZTJZZNLG-OALUTQOASA-N	410.562	3.534	10	20	HHCD	
COc1cc(/C=C(/C(=O)NCc2cccc(OC)c2O)c2ccccc2)ccc1O	773407361	KTCIYELXYPECQA-CPNJWEJPSA-N	405.450	3.972	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@](O)(c4ccc(F)cc4)C3)c2C)cc1	777490319	GFZQGKWCDOCJCT-XMMPIXPASA-N	408.473	3.976	10	20	HHCD	
COc1cc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)ccc1OCc1ccncc1	780895312	YTLWZJDDWZUFBN-HNNXBMFYSA-N	408.454	3.880	10	20	HHCD	
CO[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1ccccc1	786658309	ULDXHCHKQMBENI-QHCPKHFHSA-N	423.557	3.576	10	20	HHCD	
COc1cc(N2CCN(c3c(C)cnc4c(OC)cccc34)CC2)cc(OC)c1OC	786798073	YZETYHIJOMNMGI-UHFFFAOYSA-N	423.513	3.904	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	791246030	JZNJSPMQXFJAKO-UHFFFAOYSA-N	413.474	3.905	10	20	HHCD	
CC[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(Cl)c(Cl)c1O	793566204	RYYYRRPHRXTUEF-OAHLLOKOSA-N	410.301	3.820	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2ccc(C)cc2)c(O)c1	797389806	ZIAZODDZWRMAFN-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
CS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	800459658	VFMIZWZSFXLXEQ-FQEVSTJZSA-N	414.531	3.940	10	20	HHCD	
CCSc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	804590704	LLEXFWRBRRKUCB-KRWDZBQOSA-N	409.555	3.668	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3c(C(C)=O)oc4cc(C)ccc34)CC2)cc1	805152398	VJMZLHOLFQNHHU-UHFFFAOYSA-N	406.482	3.844	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@H](C)c3cc(Cl)ccc3O)C2=O)c(OC)c1	806169429	FTZNWFBKZNPOMH-FZKQIMNGSA-N	404.894	3.515	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)c1	806798189	IEIKCLCTJDKXKM-UHFFFAOYSA-N	420.185	3.899	10	20	HHCD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)C(=O)Nc1ccc(N=Nc4ccccc4)cc1)C[C@@H]3C2	807321384	ZNHSOJMVRJOOKT-XHXJHSHESA-N	404.470	3.922	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)c1ccc(N(C)C)cc1	808833305	ZYEFTZBEOHWAOQ-AWEZNQCLSA-N	406.486	3.641	10	20	HHCD	
COC1(C)CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H]2CCOC2)C1	812394732	XHMYPILVJRZBDW-LJQANCHMSA-N	421.545	3.614	10	20	HHCD	
O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccc(N2CCCCC2)nc1	904156750	KQMYKOANNYEMOZ-UHFFFAOYSA-N	403.458	3.957	10	20	HHCD	
CCCn1c(=O)n(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c2ccccc21	914439251	HHUSUNLQBAEKKK-UHFFFAOYSA-N	420.557	3.860	10	20	HHCD	
CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	914613767	UGWGMCBMSRWRGU-KRWDZBQOSA-N	405.454	3.876	10	20	HHCD	
COCc1cccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1	915749516	XCXFEJNPPMXBNC-UHFFFAOYSA-N	405.498	3.538	10	20	HHCD	
Cc1cc(C(=O)Oc2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1	917508468	AFNFQRCWLISIPB-UHFFFAOYSA-N	402.447	3.824	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NC3CCN(C(C)(C)C)CC3)cc2F)C[C@@H](C)O1	918096952	GZXCCTOMIYUIPE-IAGOWNOFSA-N	420.573	3.501	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)CC(C)C	918202055	HNOPKFKYNQYEQD-NRFANRHFSA-N	406.640	3.796	10	20	HHCD	
Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	919970449	CVPWUEGEGPBXFI-UHFFFAOYSA-N	414.521	3.914	10	20	HHCD	
Cc1ccccc1C1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCOCC1	920032162	FRANIWPJONKOQX-UHFFFAOYSA-N	408.542	3.538	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cnn(C)c4)cc3)SC2=S)cn1	1256381549	GOQSSPFSDBMLPV-MFOYZWKCSA-N	408.508	3.897	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3ccc(OCc4nccn4C)cc3)CC2)cc1	1320226587	REMNSVZMUXSWPS-UHFFFAOYSA-N	406.530	3.720	10	20	HHCD	
Cc1cc(-c2nnc(N3CCCOCC3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1	1324000347	RSHDKKNKGVBFBM-FQEVSTJZSA-N	421.545	3.616	10	20	HHCD	
Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O	1337397775	ZIGOKEGNJXEEDW-UHFFFAOYSA-N	422.529	3.622	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCc3ccc(OC(F)F)cc3)CC2)cc1	1341390467	IPBTXLJZLXSVDI-UHFFFAOYSA-N	404.457	3.968	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1	8171773	WHLHMVYVPZGZAR-UHFFFAOYSA-N	421.570	3.678	10	20	HHCD	
COCCOc1cc(C)ccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	65464344	XZYMSERVMUWZJC-SFHVURJKSA-N	413.518	3.740	10	20	HHCD	
CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	72053973	WMFQZQGXTZOCAH-YJYMSZOUSA-N	403.523	3.663	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc4nnc(C5CC5)n4n3)C2)cc1	301415512	ARNITPHDLADLHM-CQSZACIVSA-N	400.433	3.684	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)Nc3nc4ccc(F)cc4s3)CC2)cc1	303461289	FXISJFGIUVDXPG-UHFFFAOYSA-N	414.506	3.595	10	20	HHCD	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCOc2cc(N(C)C)ccc21	437008633	UENWEGPJNBIARC-UHFFFAOYSA-N	408.477	3.662	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)CC2)cc1	726562455	KKHAZLPMMZNQDZ-HXUWFJFHSA-N	417.550	3.570	10	20	HHCD	
CCCNC(=O)c1cccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	726694894	AKLHQMNHBSPSTE-UHFFFAOYSA-N	410.518	3.626	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Br)cc1	727240670	RRFJOKDZKAPEIA-HNNXBMFYSA-N	404.352	3.824	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cccc3c2OCCO3)n1	727246754	WHGIKUQKDVBOOU-UHFFFAOYSA-N	418.496	3.699	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)c1	728945624	CLIJDSXPKXUEGH-CHWSQXEVSA-N	404.463	3.548	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c1	729535144	LJLBIYOYWDUUNJ-HTAPYJJXSA-N	418.493	3.619	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)c2C)cc1	730230877	XVNOVTKYBLVVIB-QGZVFWFLSA-N	413.518	3.842	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc(OCC(=O)N(C)C)cc3)cc2)CC1	731108562	IVQFKYPFOBSFJO-UHFFFAOYSA-N	424.545	3.712	10	20	HHCD	
CN(CCCNC(=S)Nc1ccc(N2CCCC2=O)c(F)c1)c1ccccc1	732626223	UHRGPZRLRLGLJW-UHFFFAOYSA-N	400.523	3.765	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCN(CCCc2ccccc2)CC1	734688130	IKFDJHDMCPRJIZ-UHFFFAOYSA-N	408.590	3.911	10	20	HHCD	
CSCC[C@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	736060101	SCOIRZBEJYRVDG-SEVUAYLXSA-N	414.643	3.987	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCn4c(nnc4C(F)(F)F)C3)c2C)c1	739929687	FVAJDUUXQHLAFR-UHFFFAOYSA-N	417.435	3.711	10	20	HHCD	
Cc1nnc(-c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2)o1	742246290	UHVVKYXRAUYBFN-HUUCEWRRSA-N	424.476	3.728	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N(CC)CC)s2)cc1	742699848	CFLUPLIPWXMKJW-UHFFFAOYSA-N	409.621	3.915	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4ccc(F)cc43)cc2F)C[C@@H](C)O1	746946231	LGJYRYCNNYUMNB-GASCZTMLSA-N	401.457	3.851	10	20	HHCD	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1	748616413	ZXHUTBSMXMLJBY-JOCHJYFZSA-N	413.587	3.813	10	20	HHCD	
CCS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	748961319	REGAULDPJZDMPU-WMZOPIPTSA-N	409.571	3.650	10	20	HHCD	
Cn1ccnc1SCc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1	749179242	STMINDFIUJYUNT-UHFFFAOYSA-N	408.527	3.801	10	20	HHCD	
COCCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	750874518	LCZDBIWCIDDMPQ-HSZRJFAPSA-N	412.530	3.599	10	20	HHCD	
Cc1cc(C(=O)N(CCS(C)(=O)=O)C2CC2)c(C)n1-c1ccc(C(C)C)cc1	753215708	BXNSVFRUGHQCGL-UHFFFAOYSA-N	402.560	3.867	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccccc3-c3nncn3C(C)C)CC2)cc1	753558827	VBHKSZAESPJSOV-UHFFFAOYSA-N	420.517	3.889	10	20	HHCD	
CCCOc1ccc(CCC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753739993	XGTNIFKDHHVRCZ-UHFFFAOYSA-N	400.494	3.905	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccc(Cl)cc3OC)CC2)cc1F	753904809	PRIALRCYPZLYML-UHFFFAOYSA-N	407.873	3.528	10	20	HHCD	
C[C@@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)Cc2ccccc2C(=O)O1	754549235	WDXQTCDIZCHWJG-VWLOTQADSA-N	411.413	3.572	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc([S@@](C)=O)cc1	756724915	OFIXFDVHTKXIJR-AKVABIHCSA-N	416.543	3.581	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@H](C)NC2CCN(c3ccc(OC)cc3)CC2)cc1	756927197	MXFBHZZMYQTFRR-KRWDZBQOSA-N	402.560	3.808	10	20	HHCD	
CSc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	756970558	VLQIJKSQTRUTCG-UHFFFAOYSA-N	417.550	3.817	10	20	HHCD	
CC(C)CN1CC[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	756985925	XYJLIMJFRIVPKW-QZTJIDSGSA-N	424.536	3.534	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2CN2CCNC2=O)cc1F	757927543	YREDSPIUQNQDKK-UHFFFAOYSA-N	413.497	3.519	10	20	HHCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)Nc1cccc(CSc2ccccn2)c1	758556669	FLEYIRPMBOFYQF-AWEZNQCLSA-N	424.478	3.969	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)cc(OC)c1OC	759220257	GOCUUMOVNVTKDF-UHFFFAOYSA-N	404.894	3.637	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnccc2-c2ccccc2)cc1	760214199	WGQWANXBOVBCFX-UHFFFAOYSA-N	402.498	3.850	10	20	HHCD	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)N(C)Cc1ccccc1O	761894565	VPASSTPYBQWUBX-UHFFFAOYSA-N	420.513	3.781	10	20	HHCD	
C[C@H]1C[C@H](C)CN(CCCCNC(=O)NCc2cccc(Br)c2O)C1	764763563	NLBWCWAVDNBDAY-GJZGRUSLSA-N	412.372	3.712	10	20	HHCD	
CC(C)COC[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccco1	764767425	BFKWJRVJCFZCNR-OAHLLOKOSA-N	411.296	3.961	10	20	HHCD	
CC[C@@H](NCc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccc(N(C)C)cc1	765330580	XJTAKNUYKNROEU-JOCHJYFZSA-N	403.592	3.821	10	20	HHCD	
COCCCOc1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1	767382713	WNJQSZNVVWXTNZ-UHFFFAOYSA-N	411.546	3.885	10	20	HHCD	
C[C@@H](Oc1cccc2ccccc12)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	769354125	JFTYNZKSMIDZDZ-GOSISDBHSA-N	420.509	3.875	10	20	HHCD	
Cc1[nH]ccc(=NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1Cl	771762110	HHRQDZGKHBCFLA-UHFFFAOYSA-N	410.852	3.857	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H](OC1CCOCC1)c1ccccc1	771854697	CWWORRCQIYJCQM-QFQXNSOFSA-N	423.601	3.853	10	20	HHCD	
O=C(C[C@@H](O)c1ccc(Cl)cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	772805427	YLTFIRSKUPEGED-AZUAARDMSA-N	423.340	3.903	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)cc1	774133449	GUJIDYJZMWDUDL-LLVKDONJSA-N	403.331	3.599	10	20	HHCD	
CC[C@H](N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cc(Cl)ccc1O	775528413	YDQORBOHGGSPIO-OALUTQOASA-N	404.894	3.909	10	20	HHCD	
Cc1cccc(NCCNCc2cc(Br)cc(Br)c2O)n1	777483005	ASBJDEWAQCYOHW-UHFFFAOYSA-N	415.129	3.822	10	20	HHCD	
Cc1cccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1F	779817657	LROPOSBHAAEYJC-HOTGVXAUSA-N	404.457	3.582	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1	784023283	AOMQWICNOVLELU-UHFFFAOYSA-N	420.469	3.660	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cc1	785428389	KRSGTYPAXZTDFE-UHFFFAOYSA-N	419.500	3.737	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3cccc4ccc(Cl)nc34)CC2)cc1	786755037	AEICOCYOVMZTMA-UHFFFAOYSA-N	411.889	3.624	10	20	HHCD	
C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cccc(C(F)(F)F)c1O	788718468	LOJIDTQUVWUKAD-AWEZNQCLSA-N	423.435	3.855	10	20	HHCD	
O=C(NCCc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(N2CCCC2)cc1	788932962	SKTYAHMZRNXNHX-UHFFFAOYSA-N	420.340	3.569	10	20	HHCD	
Cc1cc(F)cc(-n2cc(C(=O)N(Cc3ccco3)Cc3ccccc3O)nn2)c1	789979118	LAKMNASESDCKCL-UHFFFAOYSA-N	406.417	3.856	10	20	HHCD	
CO[C@H]1CCOc2c(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cccc21	790960507	ZSGXDAJXGOPYAP-NRFANRHFSA-N	423.513	3.901	10	20	HHCD	
CN(C)c1ccc(CNCc2cccc(CN3CCOCC3)c2)c(C(F)(F)F)c1	792921615	QVGSYVPHCGSRME-UHFFFAOYSA-N	407.480	3.893	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)n3)cc2Cl)C1	793065810	CDQMZOXEJBXCBQ-CYBMUJFWSA-N	421.328	3.880	10	20	HHCD	
CCOc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1S(=O)(=O)N1CCCC1	796398589	QZHRVLCKKZMNQY-UHFFFAOYSA-N	421.538	3.687	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc(OC)cc3Cl)CC2)cc1	798232161	WXCMEMAKJNLIHM-UHFFFAOYSA-N	403.954	3.659	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nc2c(s1)CCCCCC2	799434074	KWCKYNQFTBDCJR-UHFFFAOYSA-N	400.548	3.960	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(-c3cnn(C)c3)s2)SC1=S	800793397	QILACQDIHBKKMH-PXNMLYILSA-N	420.629	3.938	10	20	HHCD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(N2CCSCC2)cc1	801135351	RLUCDMPKSAFPRU-UHFFFAOYSA-N	410.518	3.803	10	20	HHCD	
CC(C)N(Cc1ccccn1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803678881	LVXOCFZFZSMSDR-UHFFFAOYSA-N	422.573	3.904	10	20	HHCD	
CC[C@H]1CN(C(=O)c2ccccc2SCc2c(C)noc2C)C[C@H](C)S1(=O)=O	805396949	SOASJEVYGJYHRA-BBRMVZONSA-N	422.572	3.621	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)cc1F	806634886	NBHKDKSXHWVWBT-SFHVURJKSA-N	421.314	4.000	10	20	HHCD	
C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806684825	LGGGEUYNOJBLGY-JXFKEZNVSA-N	422.520	3.525	10	20	HHCD	
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1cc(Cl)cc(Cl)c1O	807837103	BEGRLTPGDHYMOA-AWEZNQCLSA-N	401.315	3.831	10	20	HHCD	
COc1cc(Br)cc(CN2C[C@@H](C)C(=O)N(C)c3ccccc32)c1O	809786148	RAZHCNKTRDYDHC-GFCCVEGCSA-N	405.292	3.782	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC[C@@H]21	814176273	OCPIHCUAUWLWPD-WFASDCNBSA-N	411.886	3.785	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc4ccccc4c3O)CC2)cc(OC)c1OC	816569307	HMFLGEHNEJBEPI-UHFFFAOYSA-N	408.498	3.893	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccnc1-c1cnn(C)c1	816940354	AJSFPPXSFMSVAP-UHFFFAOYSA-N	415.291	3.613	10	20	HHCD	
Cc1ccccc1NCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857471786	AIYWIRYZTCBYRC-IBGZPJMESA-N	401.938	3.937	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cnn1C(C)(C)C	916457836	ONLJHQHLGSNFHA-UHFFFAOYSA-N	424.467	3.732	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)cc1	918307295	RPNHMBSDNZDSED-UHFFFAOYSA-N	423.435	3.681	10	20	HHCD	
CN1CCN(c2ccc([C@H]3Nc4ccccc4C(=O)N3Cc3ccco3)cc2F)CC1	1319160769	HRQYGEFBDVSSNJ-QHCPKHFHSA-N	420.488	3.937	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(O)c1	1321032996	MYTZTHYQICJAIC-HXUWFJFHSA-N	406.486	3.522	10	20	HHCD	
COC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1	1800512456	WSKUFRBVYTVPET-JIOQYBSPSA-N	423.557	3.628	10	20	HHCD	
O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NCc1cccnc1	97575990	HKDJCUNIJBVABE-UHFFFAOYSA-N	406.433	3.916	10	20	HHCD	
C[C@H](NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Cl)cc1	302833118	LNMRBZCOGPGRAY-JXFKEZNVSA-N	402.922	3.904	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c(C)n1-c1cccc(Cl)c1	303002812	IDICCLOVOJNAFM-LJQANCHMSA-N	417.962	3.885	10	20	HHCD	
CCOc1ccccc1[C@@H](CC(=O)NCc1c(C)c2ccccc2n1C)NC(C)=O	471221200	RXRNGJOVNACMIK-HXUWFJFHSA-N	407.514	3.769	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)cc1	726627780	QUDFOGXOGPNSOJ-YRNVUSSQSA-N	409.286	3.547	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)cc2c1OCO2	727178112	RVIKEDAISAFHPT-MLPAPPSSSA-N	406.872	3.878	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(Cc2cccs2)oc1=S	727418209	GWJIVQGLEGYTLY-UHFFFAOYSA-N	416.572	3.784	10	20	HHCD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1	727730794	NDTMNVMBWAFZSF-QFIPXVFZSA-N	421.607	3.940	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCOc3cc(C)cc(C)c3)cc2F)CC1	730193604	NXNUOCPGFJLESM-UHFFFAOYSA-N	413.537	3.670	10	20	HHCD	
CN(C[C@@H]1CCCOC1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	730792352	GSKYLOUFFWRYBU-HNDQUVLASA-N	424.613	3.615	10	20	HHCD	
CCCCOc1ccc(OC)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C	734704030	XBZHYWIQAKABTG-UHFFFAOYSA-N	413.518	3.503	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)c(C)n1-c1cccc(Br)c1	736586320	FZBYVJKEPIXKIK-RZAQHMAJSA-N	423.376	3.838	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2ccc(NC(=O)OC)cc2)cc1F	738472642	PUADOVMAOICBDY-UHFFFAOYSA-N	416.497	3.892	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCc1ccc(F)cc1	743871030	MZRLYWIAMPBILB-ZDUSSCGKSA-N	409.299	3.821	10	20	HHCD	
Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H](C)CO1	745747495	VVBJRUSIMKUFRU-XXBNENTESA-N	409.530	3.503	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C(=O)N1c1ccccc1	745882078	MMMBOQUMXJFGGL-UTKZUKDTSA-N	419.481	3.891	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)cc1	746105293	TYGQXWQWDNJIPJ-FQEVSTJZSA-N	414.594	3.855	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1	746321272	JXWVYKVEOGNAHV-DHIUTWEWSA-N	409.505	4.000	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](OC1CCOCC1)c1ccccc1	746747255	GEFUYFFUVGVUQL-CJFMBICVSA-N	410.558	3.938	10	20	HHCD	
C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1	747951009	LOIJZMYKDDDWGQ-IBGZPJMESA-N	407.562	3.707	10	20	HHCD	
O=C(NCCC(=O)N1CCCCCC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	748487152	ZJCGWJHUGTWDIY-UHFFFAOYSA-N	421.501	3.949	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccn(Cc4ccccn4)n3)c2C)cc1	748782936	LMASBULWCQQKHB-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)Oc2ccccc2Br)c1	748977870	NHUVJXNIJOGLRW-STQMWFEESA-N	423.307	3.991	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1)C1CCCCC1	749008892	FFTNMPNYSVJKQJ-QHCPKHFHSA-N	420.557	3.838	10	20	HHCD	
Cn1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1-c1ccc(F)cc1	749264966	CMPXVWOLGJRPFZ-UHFFFAOYSA-N	421.516	3.970	10	20	HHCD	
O=C(CCOc1ccc(F)cc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1	749406381	OWDYWZXFUBIPMX-UHFFFAOYSA-N	424.875	3.665	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCOC1	752845746	PLMMMJFLVXNQMO-FQEVSTJZSA-N	420.561	3.936	10	20	HHCD	
C[C@@]1(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO[C@@H]1C1CC1	753154674	QASUGXOYHOBCFV-WIYYLYMNSA-N	409.477	3.514	10	20	HHCD	
CC[C@@H](NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)s1	754335870	ZRQCVTGTRNGYIQ-QGZVFWFLSA-N	407.967	3.800	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)c1	756529774	VREXWBHCXSEEBS-BBRMVZONSA-N	404.894	3.770	10	20	HHCD	
COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CCCSC)C2=O)cc1	758416949	UGNIBAZOQFPGTI-PKVLTRFUSA-N	411.570	3.581	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccnc(OCC(F)F)c2)cc1	758903273	SAXQTKMBUPQBCS-LJQANCHMSA-N	419.472	3.613	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccccc1O)c1nc(-c2ccc(Br)cc2)no1	760882238	RODAIZFWCJXOKX-LLVKDONJSA-N	417.263	3.765	10	20	HHCD	
C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1ccc(N2CCOCC2)cc1	762743229	PVZJANZOYYXWDH-OAHLLOKOSA-N	413.568	3.930	10	20	HHCD	
OC[C@@H](CNCc1cc(Cl)cc(F)c1O)Cc1ccccc1Br	763419532	DDAJLHADPMFQMK-LLVKDONJSA-N	402.691	3.888	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NCc1c(F)cccc1OC(F)F	764792913	ZMAUALSEPKOLJP-UHFFFAOYSA-N	419.197	3.895	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)c1	764998481	BUJCOPVNWJSTFI-FZKQIMNGSA-N	419.319	3.928	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1	768545987	JMADOKKYVQYNEQ-WQLSENKSSA-N	404.470	3.658	10	20	HHCD	
OCCN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(Cl)c(Cl)c1	769530926	PHGZYCXMXOOVPO-UHFFFAOYSA-N	413.320	3.964	10	20	HHCD	
C[C@@H](NC(=O)N1CCCN(C(=O)CC2CCCC2)CC1)c1ccc(N(C)C)cc1	773623450	IRUWDIQPDGVGEM-GOSISDBHSA-N	400.567	3.638	10	20	HHCD	
C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1ccc(N(C)C)cc1	773657871	IGTNISXAZLGTRN-GOSISDBHSA-N	403.530	3.721	10	20	HHCD	
CCCCCCn1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c2ccccc2c1=O	773741362	WCPASSPKOOKZQV-INIZCTEOSA-N	423.513	3.749	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1-c1ccc2ncccc2c1	773990999	WPSKSPVCEJNNRR-HNNXBMFYSA-N	400.486	3.681	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCc2cccc(Cl)c2)cc1	775124936	ANHCGOQIOPYPGH-UHFFFAOYSA-N	401.938	3.504	10	20	HHCD	
O=C(CN1CCN(Cc2cc(Cl)cc(F)c2O)CC1)Nc1ccccc1Cl	775644135	CIFWOCBFGWVFRN-UHFFFAOYSA-N	412.292	3.594	10	20	HHCD	
COC(=O)N1CCC([C@H](C)NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1	777229983	RDVCPCKIPJINDR-INIZCTEOSA-N	413.518	3.699	10	20	HHCD	
COC(=O)c1occc1CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)c1ccccn1	779510690	MFZYBZHHSKTYHC-LOWQCSRCSA-N	422.437	3.676	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCc3c(ncn3CCc3ccccc3)C2)c1O	780904479	NZOWFQOVIORGEC-UHFFFAOYSA-N	412.877	3.951	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(C4CCC4)cc3)cc2)C1	786234586	YUOIDJYJKINZSI-HXUWFJFHSA-N	406.530	3.978	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c(O)c1	794377526	PEKZYYSWDVLBBR-UHFFFAOYSA-N	408.483	3.649	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)c(Br)cn1	802609837	MHJCFSRGRKDYKE-UHFFFAOYSA-N	420.307	3.626	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N1CCC[C@H](c2ccccc2)CC1	806281201	QGJBJHSPMJFIQW-KRWDZBQOSA-N	403.573	3.538	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)CCc1cccc2ccccc12)c1ccc(N(C)C)cc1	807675780	AKLLSDBTNCVAPA-SFHVURJKSA-N	403.526	3.784	10	20	HHCD	
O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1	813730136	UHWPPKBWZXVTEU-NCUBBLFSSA-N	402.491	3.551	10	20	HHCD	
CN(c1ccccc1)c1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ncn1	814360862	JVBYPHUMRIOFHY-IBGZPJMESA-N	416.529	3.558	10	20	HHCD	
C[C@H](Cc1ccco1)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916511752	VZXVJRWSAZIEGX-CQSZACIVSA-N	411.424	3.565	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	916667271	NISMWEJTDIJZCC-MRXNPFEDSA-N	401.419	3.522	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CNC(C)(C)CC(C)(C)C)cc2F)C[C@@H](C)O1	917147186	AYXGTJGUKZBFKW-IAGOWNOFSA-N	407.574	3.860	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1	918188725	WRPWEEPWRLDXTN-UHFFFAOYSA-N	401.507	3.558	10	20	HHCD	
Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919969363	WPOXQZSAPWWQIE-UHFFFAOYSA-N	405.498	3.789	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccccc3C(C)C)CC2)cc1	920254808	NJTVFSSRMNJTOS-OUKQBFOZSA-N	407.514	3.662	10	20	HHCD	
COc1ccc(C2=N/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)O2)cc1[N+](=O)[O-]	8179351	MQVJXCHAGZCSMI-AQTBWJFISA-N	407.426	3.938	10	20	HHCD	
CCOC(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	72043651	MTQFFGPAANFNTE-IBGZPJMESA-N	401.551	3.940	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCOc1ccccc1Br	437010517	QLELZOXGFGTPJB-UHFFFAOYSA-N	405.292	3.710	10	20	HHCD	
COCCNc1ccccc1CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	476264468	WLRAFHAXTJXJKO-UHFFFAOYSA-N	409.530	3.893	10	20	HHCD	
O=C(CC1(CC(=O)NCc2ccccc2O)CCCCC1)NCc1ccccc1O	729860405	HQWFNLXLFKWCLK-UHFFFAOYSA-N	410.514	3.761	10	20	HHCD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1	732250130	WTIZDTDHSNMGLY-IBGZPJMESA-N	416.610	3.864	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1	734191030	NWZPGZFDNUCDGD-CRAIPNDOSA-N	404.894	3.588	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)ccc21	734391014	UXQDJMMOIRHHBH-UGKGYDQZSA-N	411.933	3.558	10	20	HHCD	
CC(C)NC(=O)c1ccccc1NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	738297783	CEVBMOABZJPIJP-UHFFFAOYSA-N	422.573	3.886	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCCN(C[C@H]3CCCO3)CC2)c1C	738316690	FLKUTXJMGOISLN-JOCHJYFZSA-N	409.574	3.772	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@]12CCCc1ccccc12	743315398	UWFTUYIBRUCZLQ-RSXGOPAZSA-N	404.554	3.806	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)c1	743412049	CCKGKSIMHBQDNF-LBPRGKRZSA-N	406.276	3.689	10	20	HHCD	
O=C(NCCc1cccc(O)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745798764	ATMAIVIUEWJRCN-INIZCTEOSA-N	405.445	3.504	10	20	HHCD	
O=c1c(Cl)c(NCCCSc2nccs2)cnn1-c1nc2ccccc2[nH]1	746461092	RDZHMNJVVAQUDQ-UHFFFAOYSA-N	418.935	3.813	10	20	HHCD	
Cc1cc(C(=O)NCCN2CCC(N(C)C)CC2)c(C)n1-c1cccc(Cl)c1	748749632	DXDRSIXQRFLBSD-UHFFFAOYSA-N	402.970	3.503	10	20	HHCD	
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	750670870	OPPGUPBJHDDXSX-KJNHESKOSA-N	405.608	3.898	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c[nH]1	753140324	ZZDREJZLHUPVTO-AWNIVKPZSA-N	423.313	3.970	10	20	HHCD	
CCc1ccc([C@H](CN2CCOCC2)NC2CCN(c3ccc(OC)cc3)CC2)cc1	753659722	VEGVHDSZDYOPHJ-SANMLTNESA-N	423.601	3.890	10	20	HHCD	
C[C@@H](NCC1(NC(=O)OC(C)(C)C)CCC1)c1ccc(N2CCOCC2)c(F)c1	753746289	BTPMPLJLVBAWCE-MRXNPFEDSA-N	407.530	3.760	10	20	HHCD	
Cc1cc(C(=O)NCCCNC(=O)C(C)C)c(C)n1-c1cccc(Br)c1	756247369	YJQMQZZIUOJFBE-UHFFFAOYSA-N	420.351	3.749	10	20	HHCD	
Cc1cc(F)cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1[N+](=O)[O-]	758424563	ZHDVHNYHBOHZPM-OKILXGFUSA-N	419.428	3.725	10	20	HHCD	
CC(=O)N1CC[C@@H](COC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1	758556482	SPYQIIADUZKJEA-MRXNPFEDSA-N	419.319	3.882	10	20	HHCD	
CC(C)[C@H](NC(=O)NCCCSc1nccs1)c1nc(-c2cccnc2)no1	759574268	NMHKAXRNIFXPQP-AWEZNQCLSA-N	418.548	3.767	10	20	HHCD	
COc1cc(OC)c(OC)cc1CNC(=O)CSc1ncc(C(C)(C)C)s1	759712802	AOVNCWIAAPTHAB-UHFFFAOYSA-N	410.561	3.875	10	20	HHCD	
CCC1(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCOCC1	761932208	MCRPQVVBFBYNLJ-FYWRMAATSA-N	424.613	3.805	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ncsc3C(F)(F)F)cc2F)C[C@@H](C)O1	764381839	IWVFYLFIWLPFEJ-GHMZBOCLSA-N	417.428	3.845	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(C2OCCO2)c1	764414116	NFFAEWWBLCIQKQ-QGZVFWFLSA-N	418.440	3.732	10	20	HHCD	
CC[C@H](NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(N(C)C)cc1	764818410	JOILCEBSPJBEKU-QHCPKHFHSA-N	415.603	3.955	10	20	HHCD	
C[C@@H](NCCNc1ccc(-c2ccccc2)nn1)c1ccc(N2CCOCC2)c(F)c1	765564359	DOAYKKYZBXMTBM-GOSISDBHSA-N	421.520	3.882	10	20	HHCD	
CCc1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1S(C)(=O)=O	765787521	BHYKYLNQSHFYDG-UHFFFAOYSA-N	414.571	3.819	10	20	HHCD	
COc1ccc2c(c1)CCCCN2CC(=O)Nc1cc(Cl)ccc1-n1cncn1	766269994	NLMLFYQLUMUGMI-UHFFFAOYSA-N	411.893	3.711	10	20	HHCD	
Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1Br	769250141	AWJIABAEMGTREP-UHFFFAOYSA-N	404.308	3.916	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2c2cccc3ccccc23)c1	769719366	HOJGGJVSCXTLLV-FQEVSTJZSA-N	410.495	3.894	10	20	HHCD	
CS(=O)(=O)Nc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	770522990	ASTPWGVLLBCRRO-UHFFFAOYSA-N	404.492	3.569	10	20	HHCD	
CS(=O)(=O)Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1F	770598586	BTJNQIXQWVEJEO-UHFFFAOYSA-N	421.494	3.881	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3cc4ccccc4[nH]3)cc2F)C[C@H](C)O1	771205421	SRWCZZZMPMFIIP-IRXDYDNUSA-N	424.520	3.963	10	20	HHCD	
COCc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c1	775207851	KMGDDDWZMCVEAC-UHFFFAOYSA-N	417.512	3.716	10	20	HHCD	
CC[C@H](NCc1ccnc(OCCN(C)C)c1)c1cc(Br)ccc1O	775524718	HGSMAPYHPDKJMF-KRWDZBQOSA-N	408.340	3.731	10	20	HHCD	
Cc1ccc2[nH]c3c(c2c1)C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)CC3	779020952	VQPPOCKXGQSPFS-VQTJNVASSA-N	416.569	3.825	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1	779351739	TXDYABLKYYICPP-ZDUSSCGKSA-N	410.301	3.786	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C3CCCC3)nn2C)cc1	781962277	UYSSGVFLSIKRTF-UHFFFAOYSA-N	411.550	3.521	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCc1nc(-c2ccc(F)cc2)no1	784454008	LCCYTFRJVBZQPD-UHFFFAOYSA-N	411.481	3.682	10	20	HHCD	
Fc1cc(CNCc2sccc2Cl)ccc1N1CCN(c2ncccn2)CC1	785433886	GHOFYQJRFFFGQJ-UHFFFAOYSA-N	417.941	3.947	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccccc2OC(C)C)cc1	787871997	JRFHTEATVSUGFC-SFHVURJKSA-N	411.546	3.814	10	20	HHCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1cccc(NC(=O)Cc2ccccc2F)c1	790538331	HUSWKOCBJSEASH-AWEZNQCLSA-N	408.429	3.909	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnnn1-c1c(Cl)cccc1Cl	794883702	VECBXZRYPOZCBL-UHFFFAOYSA-N	404.301	3.912	10	20	HHCD	
C[C@@H](CCc1ccc(F)cc1F)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	796703867	YROWVGJLKMRXMN-LPHOPBHVSA-N	401.501	3.777	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(NCc3cc(Cl)cc([N+](=O)[O-])c3O)cc2)C[C@@H](C)O1	798082931	HIBUAOLWYDKLED-BETUJISGSA-N	419.865	3.815	10	20	HHCD	
COc1cncc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1	799184779	XVQOPWLNJHKEOQ-UHFFFAOYSA-N	413.427	3.616	10	20	HHCD	
CC(C)(C)OC(=O)NCc1nc(CN(Cc2ccccc2O)C2CCCC2)no1	800345541	RZTWFADGTKSENO-UHFFFAOYSA-N	402.495	3.745	10	20	HHCD	
Cc1nc(SCCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n[nH]1	800571357	IPYCIFGJOZRXOH-CYBMUJFWSA-N	407.971	3.801	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)c(OCC)c1	802610121	QUKCJAPCCPWBGY-UHFFFAOYSA-N	400.475	3.567	10	20	HHCD	
Cc1cccc([C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccn2)c1	807670317	CXYWVARTWWRCGB-FDDCHVKYSA-N	416.525	3.539	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)CC2)cc1F	814427933	SOZYILJWMFIRIM-SAABIXHNSA-N	401.457	3.751	10	20	HHCD	
CO[C@H](C)c1nc(CN2CCCN(Cc3ccc(N(C)C)c(C)c3)CC2)cs1	815060273	RRPDYGMGTIXIAW-GOSISDBHSA-N	402.608	3.933	10	20	HHCD	
CSc1ccc([C@@H](CNCc2ccc(N3CCOCC3)c(F)c2)N(C)C)cc1	815166962	YELFVJKDKCJFPG-JOCHJYFZSA-N	403.567	3.777	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(Cl)c(F)cc2O)s1	816541197	GHNDYCMDGBXPEY-UHFFFAOYSA-N	406.932	3.567	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1	903976550	GXJVURXYHXKTCP-UHFFFAOYSA-N	402.497	3.526	10	20	HHCD	
CCNC(=O)COc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	915343373	KGHVCRDIAHNGRE-UHFFFAOYSA-N	424.545	3.856	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)c1ccccc1	916457127	WRLBAPLBLPHPPX-UHFFFAOYSA-N	414.374	3.950	10	20	HHCD	
CC(C)Oc1ncccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	916684668	RFDALZLPYBYVQT-IYBDPMFKSA-N	416.497	3.943	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2C2CCCCC2)c1	917476984	AGMVAXMZMBNEJR-HSZRJFAPSA-N	400.563	3.972	10	20	HHCD	
C[C@H]1CCc2c(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)csc2C1	917833148	MIBCWMWAXCUXRD-RDJZCZTQSA-N	411.571	3.505	10	20	HHCD	
Cc1ncc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1	919879018	BQDCEQAHMVDJPL-ZSOIEALJSA-N	423.610	3.811	10	20	HHCD	
COc1ccc(Cl)cc1CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	1116046706	LKJJKWWWBDQWFG-INIZCTEOSA-N	417.937	3.788	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)nc(C)c1Br	1338325461	JGQQJJVBLDXPCR-UHFFFAOYSA-N	419.323	3.619	10	20	HHCD	
O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccc(O)c(O)c1	7072076	MZFKTUZTNDVCIP-UHFFFAOYSA-N	410.499	3.644	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccccc1OC(F)(F)F	106267493	FJNUEJHGJHZALL-UHFFFAOYSA-N	400.422	3.664	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1F	145626813	XTAUYWADWRZMAE-INIZCTEOSA-N	408.477	3.647	10	20	HHCD	
COc1ccc(N2CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC2)cc1	301088697	LAQQUHLOFSOUBI-UHFFFAOYSA-N	414.937	3.696	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1F	303317209	HCCIBTYIWOBMSK-AWEZNQCLSA-N	405.901	3.760	10	20	HHCD	
Cc1cc(OC(F)F)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	303560845	LEPFCUPHXGOBDR-UHFFFAOYSA-N	414.449	3.688	10	20	HHCD	
Cc1ccccc1-c1cc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)n(C)n1	470196322	YOGYNJGSRSOAJH-UHFFFAOYSA-N	416.506	3.864	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3ccccc3-n3cccn3)no2)cc1)C1=S=CC=C1	544472420	LHDOUFQMYSFOAG-UHFFFAOYSA-N	413.462	3.805	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1C[C@@H]2CCC[C@H](C1)C2=O	726564934	XEIQISZIMARZOP-XYPWUTKMSA-N	406.473	3.768	10	20	HHCD	
COc1ccc(C(=O)N[C@H](C(=O)NCc2ccc(N(C)C)cc2)c2ccccc2)cc1	727099095	WXYOVEVXILFHBK-QHCPKHFHSA-N	417.509	3.549	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1cc2c(cc1Cl)OCCO2	727269054	ZJLFFNWNSJKFHA-UHFFFAOYSA-N	406.935	3.928	10	20	HHCD	
CCCN(Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1ccccc1O	727830871	SHMDAANPDQRNOW-UHFFFAOYSA-N	404.511	3.947	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nc(-c2ccncc2)no1	728132350	OCTNZWWQOQPCTQ-GOSISDBHSA-N	412.469	3.533	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](c3cccs3)C3CC3)cc2F)CC1	730114712	CHIHEQCTZOSUFB-OAQYLSRUSA-N	416.566	3.980	10	20	HHCD	
Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	730119989	XENJEGYDOFGOFA-CQSZACIVSA-N	420.554	3.763	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CC1	731120798	CRVYGMPIQQRZCV-LJQANCHMSA-N	416.566	3.732	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1F	731402442	WOUYIEFTQKKVTC-JOCHJYFZSA-N	416.541	3.783	10	20	HHCD	
Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2)cc1	731869020	IDZVESPKLNCVLV-UHFFFAOYSA-N	423.538	3.564	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccs1	734014149	NDNISWKPAMCRSQ-UHFFFAOYSA-N	405.539	3.625	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c1	734015050	WSQNVRPPVVBOMA-UHFFFAOYSA-N	401.466	3.658	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1	734060899	KLMHBOWJJNFRJA-UHFFFAOYSA-N	405.882	3.762	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1	734064654	KMPVJRNNEJQLNO-UHFFFAOYSA-N	403.910	3.518	10	20	HHCD	
Cc1cc(C(=O)COC(=O)COC2CCOCC2)c(C)n1-c1ccc2c(c1)CCC2	735357768	GZCVVHBKLXGFMY-UHFFFAOYSA-N	411.498	3.504	10	20	HHCD	
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	736375089	GZTKNLSRULOJID-IERDGZPVSA-N	417.937	3.752	10	20	HHCD	
Cc1cc(C(=O)OCc2cc(=O)c(O)co2)c(C)n1-c1ccc(Br)cc1	736771261	NVBYDJFLCQALCL-UHFFFAOYSA-N	418.243	3.872	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)c1	740925167	JQOMSBXKPPPBDK-GFCCVEGCSA-N	402.447	3.944	10	20	HHCD	
COC[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(C)C	741611052	ICHAFHWMYLHEOR-QTNMRXCUSA-N	412.602	3.517	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H](OC)c3ccc(Cl)cc3)CC2)cc1	743657310	PVJGRPMXGXNHJW-OAQYLSRUSA-N	417.937	3.958	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N(C)C3CCCCCCC3)CC2)cc1	749011228	ZDWCSDXEOJFHON-UHFFFAOYSA-N	402.583	3.572	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2ccncc2)c(C)n1-c1cccc(Br)c1	750471888	GZJZYOLJSCYEQP-LJQANCHMSA-N	414.303	3.715	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CCCCS2(=O)=O)c(C)n1-c1ccc(C(C)C)cc1	752830966	QGDGFSCGTCSESL-HXUWFJFHSA-N	402.560	3.915	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnccc1-c1cccc(F)c1	753553079	GGIXNHURVMMLSD-UHFFFAOYSA-N	406.461	3.551	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1	755268293	GXDNHDJHAFMUFP-XZOQPEGZSA-N	413.537	3.702	10	20	HHCD	
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	756918366	OMBVXNKDJKOSFH-HKUYNNGSSA-N	404.555	3.587	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cccc(=O)n2C)c(C)n1-c1ccc(F)c(Cl)c1	757747792	MYKMSMMCCJKQAQ-UHFFFAOYSA-N	416.836	3.625	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCN(c2ncc(F)cn2)CC1	758985932	DZJYNMNTXOPYBR-UHFFFAOYSA-N	417.282	3.559	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1nc(-c2cc(Br)cs2)no1	759578286	GVTHXWBISRSKRW-DUXPYHPUSA-N	423.244	3.728	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1	759695123	PXAQRYRDOAVFCJ-XFEAKLGESA-N	416.493	3.674	10	20	HHCD	
CCCCc1nc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cs1	759879071	RGCLEEABWNGTNL-UHFFFAOYSA-N	405.564	3.834	10	20	HHCD	
C[C@@H](NC[C@@H](CO)Cc1ccccc1Br)c1cc([N+](=O)[O-])ccc1O	760034123	LAQMFAXJOVMPRT-OLZOCXBDSA-N	409.280	3.565	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1ccc(OC(F)F)cc1	760950391	PFVJOJOIZAJQHV-UHFFFAOYSA-N	410.804	3.654	10	20	HHCD	
CCCCN1CCc2ccc(NC(=O)C(=O)NCCCSc3nccs3)cc21	761154872	AANFPOBTKBHSCV-UHFFFAOYSA-N	418.588	3.543	10	20	HHCD	
CCOc1ccc2c(c1)[C@@H](N1C(=O)CN(Cc3cc(Cl)ccc3O)C1=O)CCO2	761858313	TXFSKYZCYSVJAA-KRWDZBQOSA-N	416.861	3.732	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCN(c2ccc(Cl)cc2)C1	761968293	ARBYPRKCPIRRNC-QGZVFWFLSA-N	420.296	3.742	10	20	HHCD	
Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Br)c1	763278506	CCJCHYPJUOTGHJ-OLZOCXBDSA-N	408.292	3.683	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1	764817521	IYLMHYIMTNJGRQ-SFHVURJKSA-N	401.576	3.565	10	20	HHCD	
CC1(C)C[C@H](NC(=O)c2cc(O)cs2)C[C@@](C)(CNC(=O)c2cc(O)cs2)C1	765402908	KGIZYFBWKCNJHU-FKIZINRSSA-N	422.572	3.966	10	20	HHCD	
COCCc1ccc(OCCCC(=O)NCc2cccc(Br)c2O)cc1	765751978	CFFHQFJTCZMQQU-UHFFFAOYSA-N	422.319	3.819	10	20	HHCD	
C[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1	765835828	MNPQACTVNNLWPC-SFHVURJKSA-N	402.560	3.810	10	20	HHCD	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	766243507	MXYBDLPHCOVCQV-UHFFFAOYSA-N	412.490	3.742	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1coc(C2CCOCC2)n1	767974758	XZJCHLHLBFEWCQ-OAHLLOKOSA-N	421.444	3.569	10	20	HHCD	
CC(=O)c1ccc(N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)c(F)c1	768218435	OEVUGLAWIZFEFU-UHFFFAOYSA-N	407.829	3.618	10	20	HHCD	
O=C(CCOCc1ccccc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768911171	CXVNMRNTPQBSQT-FQEVSTJZSA-N	402.922	3.733	10	20	HHCD	
COc1cc(Br)cc(CN(C)Cc2ccn(-c3ccccc3)n2)c1O	768919653	VJPUEGFJGORSPB-UHFFFAOYSA-N	402.292	3.981	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccnc1Br	769296651	JYZRMKJNEVJWKM-UHFFFAOYSA-N	414.097	3.975	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)c(C)n1-c1ccc(F)cc1	770451421	KBAHCLWRHDZIOS-UHFFFAOYSA-N	414.525	3.936	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](O)Cc1ccccc1Cl	773193631	LNNIAPAGJAJFDA-BEFAXECRSA-N	424.875	3.630	10	20	HHCD	
CCC(=O)N1CC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)C1	773225028	SMQLWUSLBPLNTI-HXUWFJFHSA-N	422.525	3.567	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1	773759911	AAQBHQZPYZKTKN-GFCCVEGCSA-N	405.376	3.663	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F	773764232	YEVDUQLCXFMADD-NSHDSACASA-N	423.366	3.802	10	20	HHCD	
CC[C@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)c(Cl)c1O	775500875	MCBKOCXSCRBWLW-MGPUTAFESA-N	422.312	3.995	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	775728496	IMBJHDVXOWNKML-JLHGSKIFSA-N	415.509	3.799	10	20	HHCD	
CCn1cc(-c2nn(C)cc2C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1	778327985	JZQYVUBRRJZLGP-UHFFFAOYSA-N	406.534	3.566	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1	779497339	CKLSDNFAWFSEBW-VUBAQRPUSA-N	415.449	3.793	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1	780052300	YHSHOYLVXHXCIG-UHFFFAOYSA-N	405.502	3.520	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2ccc(Br)cc2OC)c1	782740874	XKVROQSCYPAGJE-LBPRGKRZSA-N	408.292	3.982	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC([C@@H]2CCCO2)CC1	784542225	QQNPEJDKBDWUKP-XLIONFOSSA-N	423.504	3.857	10	20	HHCD	
CCN(C)c1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cn1	790106259	ABMRIEDQXPKYCR-QGOAFFKASA-N	413.568	3.990	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1noc2ccccc12	791250638	SYOQYJIRBRQCTN-UHFFFAOYSA-N	409.486	3.759	10	20	HHCD	
CCc1ccc(-c2noc([C@H](C)NCc3ccc(N4CCN(C)CC4)cc3)n2)cc1	792181169	PJJRBZYRWMTTLQ-SFHVURJKSA-N	405.546	3.902	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)c(O)c1	792825814	BJLFFFFRAUMZSZ-HDICACEKSA-N	411.546	3.878	10	20	HHCD	
COc1cc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)ccc1OCCO	796271990	SRHBTHIUIWOXEP-UHFFFAOYSA-N	418.537	3.919	10	20	HHCD	
O=C1[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)N1Cc1ccc(N2CCSCC2)cc1	797137060	XFOPUEFUVHVWOP-SFTDATJTSA-N	407.539	3.908	10	20	HHCD	
CCOCCOCCN(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800720868	WMHZHNJSJFKVHC-KRWDZBQOSA-N	411.974	3.771	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc(Cl)nc3Cl)CC2)cc(OC)c1OC	801541564	RKDDXGXUPWPAHA-UHFFFAOYSA-N	412.317	3.736	10	20	HHCD	
Cc1cc2cc(CNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2[nH]1	806457276	IGGDOTNXYXLJRS-UHFFFAOYSA-N	410.493	3.576	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)oc2ccccc12	806834095	VQQYBUSSFYRJTK-UHFFFAOYSA-N	405.498	3.615	10	20	HHCD	
COc1ccc(N2CCCN(CN3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1	808141733	DSYHFCWKSBSVHH-UHFFFAOYSA-N	414.937	3.760	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1	813534623	CUXFKOYYMIHWLP-UHFFFAOYSA-N	416.472	3.735	10	20	HHCD	
Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)sc2nc3n(c(=O)c12)CCC3	813685500	IRJFRPNHQWYZLI-UHFFFAOYSA-N	424.309	3.655	10	20	HHCD	
CN1CCc2[nH]c3ccc(C(=O)N(Cc4ccccc4O)C[C@H]4CCCO4)cc3c2C1	816921601	AUYMFYHFXFLYIV-LJQANCHMSA-N	419.525	3.683	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H]2CCC(=O)N(C)C2)c(C)n1-c1ccccc1Br	820402139	IBCGLWRJBHXRNC-OAHLLOKOSA-N	418.335	3.549	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)sc2c1CCC2	891243371	NHJJLDFRXZCMBL-LLVKDONJSA-N	418.902	3.668	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cccc4cccnc34)CC2)cc1	915316160	KSIQEONTROKJDT-UHFFFAOYSA-N	419.529	3.577	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2	915335707	JTMYJJKWOSTOGL-UHFFFAOYSA-N	405.401	3.509	10	20	HHCD	
COC(=O)c1ccc(CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	916249048	NUPRDIHXSAJWFY-UHFFFAOYSA-N	409.530	3.848	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1	916260016	MTGYAMZIHVDAJQ-UHFFFAOYSA-N	412.534	3.572	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3ccc4nnc(C(F)(F)F)n4n3)cc2F)C[C@@H](C)O1	917085913	BELQWEBGDUJVDN-VXGBXAGGSA-N	424.402	3.508	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(Cc1cccs1)C1CC1	918221558	XLWLYFMFYYEASB-UHFFFAOYSA-N	403.523	3.723	10	20	HHCD	
O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCC(CO)CC2)cc1	919968425	NPNMDEZBIKSNRY-UHFFFAOYSA-N	406.448	3.773	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)cc1	1330504385	TZCLQFSSDSKZRY-UHFFFAOYSA-N	407.845	3.641	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1C(=O)c1ccccc1	54284549	AYGLZMVFVFIPGF-UHFFFAOYSA-N	400.478	3.684	10	20	HHCD	
COc1ccc(N(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C(C)C)cc1F	116605472	ZTEXUOWGUINDIF-UHFFFAOYSA-N	421.900	3.800	10	20	HHCD	
COc1ccccc1N1CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1	303144203	DJRQJZONKOOPTL-UHFFFAOYSA-N	414.509	3.937	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCC(=O)CCC(=O)c1cccs1	437006040	FDIDZEKDRJEMHP-UHFFFAOYSA-N	400.500	3.552	10	20	HHCD	
COCCOCCN(Cc1ccccc1)C(=O)NCc1c(C)c2ccccc2n1C	472220235	CAONSITYSUUDNJ-UHFFFAOYSA-N	409.530	3.862	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(OC)cc3C(=O)OC)ccc21	483445682	YARVXQXQFSNURU-UHFFFAOYSA-N	410.470	3.952	10	20	HHCD	
O=C(NC[C@@H]1Cc2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726707514	CTVNDSMCVOJZJO-INIZCTEOSA-N	401.457	3.896	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1	731281950	FFMIWCHZWKHLPR-QFIPXVFZSA-N	411.546	3.696	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCCO2)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	732233467	TVAHCFFWYDQTQI-KRWDZBQOSA-N	417.893	3.603	10	20	HHCD	
C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)c1ccc(N2CCOCC2)cc1	732243715	SIGCRGFOPVAJSJ-RTWAWAEBSA-N	422.573	3.500	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1	734402893	ROCIJMOHHMQUOF-UHFFFAOYSA-N	413.319	3.939	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cccc(-n4cncn4)c3)cc2)CC1	735513955	UASDYSLGDYKDDZ-UHFFFAOYSA-N	404.518	3.503	10	20	HHCD	
O=C([C@@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	735518710	JYJGXHVTVTUACJ-DHIUTWEWSA-N	408.542	3.812	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3ccc(OCC(F)(F)F)cc3)SC2=S)CC1	742833739	AHWGLEOMJQLTJA-XNTDXEJSSA-N	416.490	3.923	10	20	HHCD	
O=C(Nc1ccnn1C1CCCCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	743888430	YXIBNTQWXBIJDY-UHFFFAOYSA-N	422.485	3.854	10	20	HHCD	
CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	748698981	ULKUHSKLXDJDID-IBGZPJMESA-N	406.885	3.790	10	20	HHCD	
CC(C)[C@H](CCN(C)C(=O)NCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C	749311060	UYLXDPNHVNOAJZ-IBGZPJMESA-N	406.571	3.833	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(Br)c(O)c3)CC2)cc1	750826151	YMRNOMMWZJUKJY-UHFFFAOYSA-N	405.292	3.562	10	20	HHCD	
CC(C)CCN1CCC(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1	751110561	FNMMJVFHYMBTPH-JOCHJYFZSA-N	417.594	3.841	10	20	HHCD	
COCCOCc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)ccc1F	751308266	UMOUNCXMUAUDCM-UHFFFAOYSA-N	420.444	3.951	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3nc2O)cc1	751405275	KLLTWUSGTFWBPG-FQEVSTJZSA-N	405.498	3.828	10	20	HHCD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/c1nc2ccccc2c(=O)n1CC(=O)O	752886755	WJQRIOZGJURXLP-VAWYXSNFSA-N	420.856	3.799	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cnn(C)c2Br)cc1)C1CCCCC1	753804556	KBAJCVOHDICAJW-UHFFFAOYSA-N	405.340	3.882	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc2ccccc2c1O	756457504	RAMYPDVUPXPIOQ-CRAIPNDOSA-N	406.482	3.521	10	20	HHCD	
C[C@@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(Cl)ccc1O	756732135	GIOZUUZJXHQXSJ-OAHLLOKOSA-N	408.951	3.691	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NCCCSc2nccs2)C1	760333604	SXZVWXYSJPQKSK-LBPRGKRZSA-N	421.535	3.634	10	20	HHCD	
O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)N(Cc1ccccc1O)C1CCCCC1	764373169	FAKGBKDWHWUIDN-FGZHOGPDSA-N	415.578	3.880	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2C[C@]23CCOC3)c(C)n1-c1ccc(OC(F)F)cc1	764645244	GNFSXIUBGUEYRN-GCJKJVERSA-N	419.424	3.848	10	20	HHCD	
CC[C@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1ccc(N(C)C)cc1	765869197	WCPJKXCMZOCPIZ-VWNXMTODSA-N	408.590	3.691	10	20	HHCD	
COc1ccc(CN2CCCN(Cc3cc(Br)ccc3O)CC2)cc1	768131848	AHKYCRAZWUZRPJ-UHFFFAOYSA-N	405.336	3.871	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCN(Cc2cccc(Br)c2O)CC1	768253070	YIRCFTAIBOYMIG-UHFFFAOYSA-N	419.319	3.511	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@@H](C)N(C)C[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	768771754	LHPBBQOHGMTCHE-CVEARBPZSA-N	405.489	3.903	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n1	768847909	GCGCBGBISSDSIL-UHFFFAOYSA-N	411.486	3.898	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(OC)c4ncccc34)CC2)cc1F	768971342	LNQUEUWCCAZOPB-UHFFFAOYSA-N	410.449	3.745	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)OCc3ccccc3)cc2F)C[C@@H](C)O1	768977845	GKEAORZWAHMDSN-KSZLIROESA-N	400.494	3.661	10	20	HHCD	
O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2cccc(Br)c2O)CC1	769234444	YDDXEDITNKVTAI-UHFFFAOYSA-N	414.303	3.594	10	20	HHCD	
C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769671213	IAHZLBNBXWWRIK-NSHDSACASA-N	416.421	3.616	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2nc3cc(OC)ccc3n2C)cc1	770557284	CSZOFVXIJTWGNY-UHFFFAOYSA-N	409.534	3.770	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCc1cn2ccccc2n1	773740449	MFOPTJNRICJPFZ-INIZCTEOSA-N	417.465	3.686	10	20	HHCD	
CC[C@H](CSC)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	774166839	DTBCQCXPHKQAIH-OAHLLOKOSA-N	419.513	3.825	10	20	HHCD	
COc1cccc([C@H](C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1	774855860	NRXAUISVUPVKFS-HNNXBMFYSA-N	414.461	3.760	10	20	HHCD	
Oc1c(Br)cccc1CNCc1cnc2ccc(Br)cn12	775147541	VLTDSCANEKFGAT-UHFFFAOYSA-N	411.097	3.855	10	20	HHCD	
CC[C@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1O	775491286	HOZNHFKOVORLAB-INIZCTEOSA-N	417.358	3.859	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(Br)n1	775616343	HAJGYMKPFQKJMP-CQSZACIVSA-N	424.726	3.598	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	777264707	GKLHMKCKUSYZLX-HKUYNNGSSA-N	416.566	3.684	10	20	HHCD	
O=C(Nc1cnc2c(c1)COCC2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	777739196	DTCKGEOJZYKSCK-OAHLLOKOSA-N	418.444	3.546	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1	778728000	RMYCXMASFXEPRJ-INIZCTEOSA-N	404.917	3.965	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	782616859	NJBYZNZTUFIVDR-RYQLBKOJSA-N	404.555	3.949	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cc3c(cc2Cl)OCO3)C2CCCCC2)cc1	784058660	ZJERBYVRELOWJI-UHFFFAOYSA-N	415.877	3.955	10	20	HHCD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1	785298608	WTGPLJGPEXZOCE-HUUCEWRRSA-N	416.543	3.983	10	20	HHCD	
C[C@@H]1OCC[C@@]12CN(C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CCO2	792057937	QZGHTWZVXGZIKS-FDDCHVKYSA-N	401.551	3.545	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1	793044677	HWZQONQAIQRQGI-BAGYTPMASA-N	409.530	3.501	10	20	HHCD	
CCOC(=O)c1ccsc1NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	793567438	LTNYURKPAIWQLZ-UHFFFAOYSA-N	415.559	3.986	10	20	HHCD	
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	799034343	KOMZIERFRDSCFU-NRFANRHFSA-N	418.497	3.659	10	20	HHCD	
Cn1nccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl	800047678	OLQPJSSLAWTIHY-UHFFFAOYSA-N	410.282	3.759	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1	804683396	WRJLHQKBWHHWGA-QFIPXVFZSA-N	411.521	3.898	10	20	HHCD	
O=C(NCc1ccc(Cn2cccn2)cc1)NCc1cc(Cl)cc(Cl)c1O	804905191	ZEUPPPWBQAIUKC-UHFFFAOYSA-N	405.285	3.943	10	20	HHCD	
CC[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(Cl)cc(Cl)c1O	806128922	ZKVBVSUFOBNKBI-HNNXBMFYSA-N	414.333	3.994	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCCCSc1nccs1)C(C)(C)c1ccccc1	806281450	YSMKTMHCGNULGI-INIZCTEOSA-N	405.589	3.614	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1	807505779	OJZYCUFBQXEIKS-KRWDZBQOSA-N	419.485	3.511	10	20	HHCD	
COC(=O)C[C@@H]1COCCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	809255584	HQFAATIHKPCVJJ-GOSISDBHSA-N	410.474	3.572	10	20	HHCD	
CC[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(C(F)(F)F)cc1O	810240483	CFCSHLBCYPKPJR-INIZCTEOSA-N	409.408	3.532	10	20	HHCD	
COCCOCc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1	813043973	OKYCMVQPXLIZTO-UHFFFAOYSA-N	402.454	3.812	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCCN(C(=O)c3ccccc3F)CC2)c1	913144437	SAJGQRKWJHNLRM-UHFFFAOYSA-N	400.494	3.883	10	20	HHCD	
CCOc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1	916564620	NNVHQFTVXXILEP-HSZRJFAPSA-N	412.530	3.738	10	20	HHCD	
CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1	917844831	HWGBOTXVUKVTJA-UHFFFAOYSA-N	415.540	3.598	10	20	HHCD	
O=C(Nc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918296665	XMMJVJKJZVDPQF-OAHLLOKOSA-N	423.296	3.845	10	20	HHCD	
COC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)nc1	918944490	JYEZJFXWCPIIBJ-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
Cc1ccc(C)c(OC2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1	919911627	ZALBTFJHLKIDGS-UHFFFAOYSA-N	423.557	3.893	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)c3cccn3C)CC2)c(C)n1-c1cccc(Cl)c1	919985056	WHZXYEPZZSWDCQ-UHFFFAOYSA-N	424.932	3.684	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	920921621	NMYMXFPACYBDNH-RDPSFJRHSA-N	424.589	3.967	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1cccc(C(F)F)c1	1116685902	JQIHFMKOZYELPT-UHFFFAOYSA-N	403.473	3.832	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)ccc21	1318197135	HXSLQRNMCJODFM-QHCPKHFHSA-N	418.541	3.727	10	20	HHCD	
CC(C)[C@@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1	11193340	XEJLJLRDRGZKMW-XMMPIXPASA-N	413.537	3.608	10	20	HHCD	
O=C(CSc1ncc2ccccn12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	26372941	LLHWQENNGULPMW-UHFFFAOYSA-N	413.458	3.841	10	20	HHCD	
C[C@H](OC(=O)/C=C\c1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	206747116	YUJNCOSWQLXVOM-FPAJZGIOSA-N	415.401	3.639	10	20	HHCD	
O=C(N[C@H]1CCN(Cc2ccccc2)C1)N(Cc1ccco1)Cc1ccccc1O	726085811	LHKBVAWNKLYICV-NRFANRHFSA-N	405.498	3.972	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3)ccc21	728637039	HENAYBGNWWBURA-UHFFFAOYSA-N	416.424	3.978	10	20	HHCD	
CC[C@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	729078327	IPALSEDBGFSDKF-AAIQCTMTSA-N	414.346	3.992	10	20	HHCD	
CCc1nc(C(=O)NCc2cccc(OC)c2O)nn1-c1c(Cl)cccc1Cl	729858837	DPFFIVJFVIDBGN-UHFFFAOYSA-N	421.284	3.781	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1	734074253	MLPRYCMBWIIBKX-UHFFFAOYSA-N	418.877	3.631	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)OCCn3cnc4ccsc4c3=O)c2C)cc1	739357046	NLXCZXIVQRJPJZ-UHFFFAOYSA-N	423.494	3.731	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)ccc1OC	740606049	XCBVCMOSNOXHPL-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	740919389	QMADRLCVLSGHPD-OAQYLSRUSA-N	412.578	3.681	10	20	HHCD	
COC(=O)c1ccc(OC(C)C)c(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1	741065280	VNQFPUHPIPLOQI-UHFFFAOYSA-N	409.486	3.958	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c(F)cc(F)cc1F	741542989	ZIQXYFAZPLVWLJ-UHFFFAOYSA-N	418.337	3.889	10	20	HHCD	
CN(C)C(=O)[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743484940	JYGBFQQIYJEFCS-XLIONFOSSA-N	403.473	3.676	10	20	HHCD	
COc1ccccc1C(C)(C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	745187638	YFVDLOJDYMFUHU-UHFFFAOYSA-N	411.546	3.651	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)NCc3ccc4c(c3)CCCN4C)cc2)CC1	746761527	ASTIAYRBDCRNRD-UHFFFAOYSA-N	407.562	3.533	10	20	HHCD	
COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	747016889	GBEFSGFGTJZHAU-UHFFFAOYSA-N	409.530	3.630	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2cccc(CS(C)(=O)=O)c2)c1C	749245717	ZCPQWOOJPIWGQF-UHFFFAOYSA-N	410.539	3.877	10	20	HHCD	
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1	749929987	BEMMOLWQUVXYSQ-FQEVSTJZSA-N	408.546	3.621	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)ccc1C	751356086	NMKIPJHBWCMPMH-UHFFFAOYSA-N	402.516	3.793	10	20	HHCD	
COc1ccc(N2CCN(Cc3ccn(-c4c(F)cccc4F)n3)CC2)cc1F	752001414	FPTBOMUJOBUBTN-UHFFFAOYSA-N	402.420	3.620	10	20	HHCD	
C[C@@H](C[C@H](O)c1cccs1)NC(=O)NCc1ccc(N2CCSCC2)cc1	752652593	WLKRYSYHRNICEN-YJBOKZPZSA-N	405.589	3.613	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1	753384194	OALYOAUKZOXBNQ-HSZRJFAPSA-N	418.582	3.931	10	20	HHCD	
CC(C)N1CCC(N2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)CC1	753544013	HOIBELCKAZQHSP-UHFFFAOYSA-N	423.601	3.962	10	20	HHCD	
O=S1(=O)CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@@H]2CCCC[C@H]21	753546872	LYRNJXBAEVZAEL-IFMALSPDSA-N	401.528	3.513	10	20	HHCD	
COc1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(Br)c1	753738727	SUMVYJOQSZQKIF-UHFFFAOYSA-N	423.282	3.568	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccccc3-c3noc(C)n3)CC2)cc1F	753877914	DTQKSXQFLDINMI-UHFFFAOYSA-N	411.437	3.547	10	20	HHCD	
COc1ccc(C2(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CCC2)cc1OC	754168557	ISRODJXTRJJQLY-SFHVURJKSA-N	424.541	3.840	10	20	HHCD	
COc1ccc(CN(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)cc1	756335229	GQAVJJRBOBYGIB-QHCPKHFHSA-N	424.541	3.573	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CN[C@H](C)c2cc(Br)c(F)cc2O)c1	756383932	LOFHEMFTWHWGHJ-QGHHPUGFSA-N	414.271	3.695	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)cc(Cl)c1O	756574931	HIGLBQAOGVHBIU-TZMCWYRMSA-N	416.791	3.627	10	20	HHCD	
CCc1cc(N2CCC[C@@H](N[C@@H](C)c3cc(Br)cc(F)c3O)C2)ncn1	756713783	YPRVEHWYBROTFR-SWLSCSKDSA-N	423.330	3.966	10	20	HHCD	
C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(N(C)C)cc1	758055961	KINQOERYNAZTQH-WMLDXEAASA-N	411.493	3.822	10	20	HHCD	
COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CCCSC)C2=O)cc1	758416951	UGNIBAZOQFPGTI-YGRGUWMTSA-N	411.570	3.581	10	20	HHCD	
CC[C@H](CC(F)(F)F)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	760771448	NGKRJGQVSLKJJF-SNVBAGLBSA-N	420.343	3.831	10	20	HHCD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	764414174	NRMPDFPMCCJGOW-XJKSGUPXSA-N	406.477	3.907	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NC3CCN(CC(F)(F)F)CC3)CC2)cc1	765642454	QZWZPAZAFRAEGA-UHFFFAOYSA-N	407.427	3.873	10	20	HHCD	
CSc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1F	765980228	XOFUOJZKLJZRJV-OAHLLOKOSA-N	408.564	3.633	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC(C(F)F)CC1	766940238	NRNPNALHLZYYLF-UHFFFAOYSA-N	403.420	3.944	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(OC[C@H]2CCOC2)c(F)c1	767677096	XFBQQTDZALJSMA-LBPRGKRZSA-N	424.475	3.758	10	20	HHCD	
COc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC(=O)C1CC1	768163151	VEJPTFCFLYPSLJ-HXUWFJFHSA-N	411.498	3.897	10	20	HHCD	
Oc1ccc(Br)cc1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1	768225570	ITHSIORBOYFAHE-CQSZACIVSA-N	405.340	3.852	10	20	HHCD	
COc1cc(SC)ccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	772654707	CJFLBIGVYAHWQR-UHFFFAOYSA-N	415.559	3.948	10	20	HHCD	
C[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccc(N(C)C)cc1	773021009	QJVJZIIYMUSTCS-ZDUSSCGKSA-N	419.319	3.706	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(C)s3)n2)o1	773365126	JMGARXAXOCTAJX-UHFFFAOYSA-N	411.530	3.518	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)COc2ccccc2C(F)(F)F)c1O	774974938	MHZZJGJJYUPRIX-NSHDSACASA-N	400.353	3.885	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1	775174845	UQWYCHOBFSXYIX-VBAWXRRRSA-N	422.250	3.613	10	20	HHCD	
C[C@H](NC[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	775259348	IAPYCBUFZBXLMU-IXFSTUDKSA-N	418.965	3.966	10	20	HHCD	
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C	775291139	ANWACJZBNIPZJN-UHFFFAOYSA-N	404.532	3.990	10	20	HHCD	
C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)c1ccc(N(C)C)cc1	775402791	CNXCKJSMJDXIOK-GFCCVEGCSA-N	414.303	3.848	10	20	HHCD	
COc1ccc(-n2ccnc2SCC(=O)NCc2ccc(N(C)C)cc2)c(C)c1	783923923	CUCJJFXNOIBKGV-UHFFFAOYSA-N	410.543	3.664	10	20	HHCD	
COc1cc(O)c(CN2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1OC	784034721	WVUFUMGTYKTOOA-XIRDDKMYSA-N	406.523	3.535	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Cl)cc1-n1cccn1	788309802	PCSXKBXUSBBUHJ-UHFFFAOYSA-N	411.893	3.684	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	795354986	WGOAAGVEEZZKOQ-UHFFFAOYSA-N	404.803	3.681	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1	804541027	LOMBIRWTGCEISO-ROUUACIJSA-N	417.600	3.659	10	20	HHCD	
CC[C@H]1CN(C(=O)c2ccccc2SCc2c(C)noc2C)C[C@@H](C)S1(=O)=O	805396951	SOASJEVYGJYHRA-CJNGLKHVSA-N	422.572	3.621	10	20	HHCD	
Oc1cc(OCc2ccccc2)ccc1CNCc1ccc(Cn2cncn2)cc1	809793546	GNYDJMMKLDNVQC-UHFFFAOYSA-N	400.482	3.901	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nnc4ccccc4n3)c2C)cc1F	811314384	XGVZOIIOWDBVAR-UHFFFAOYSA-N	418.428	3.920	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ncn(C(C)(C)C)n2)cc1	813448608	PNQZYJWLJUNTNY-UHFFFAOYSA-N	407.518	3.955	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCCOC2=O)cc1	814304866	TZNMEAOTWSZXJU-QGZVFWFLSA-N	413.493	3.860	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OC(F)F)cc3)cc2F)C[C@@H](C)O1	917709279	FIALQNDFNABZTI-OKILXGFUSA-N	408.420	3.971	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3OC(F)F)cc2F)C[C@@H](C)O1	917713037	ZKQVASZKZSJRIK-ZIAGYGMSSA-N	408.420	3.971	10	20	HHCD	
Cc1ccc(-c2csc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)n2)cc1C	919809333	OKFKANVAADDHOX-UHFFFAOYSA-N	417.512	3.756	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCOCC2)cc1	920867441	REFUSDGCUFQWCQ-WUZXWRFWSA-N	411.590	3.647	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC2)cc1	1319510009	DWLHIXFEGBDDGK-UHFFFAOYSA-N	422.554	3.630	10	20	HHCD	
O=C1NCCN(Cc2ccc(N3CCCC3)cc2)[C@@H]1c1ccccc1C(F)(F)F	1325132179	DEHMVHFNJDCSHV-HXUWFJFHSA-N	403.448	3.979	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1	109702562	YQRWEUGLDHPAHO-LJQANCHMSA-N	422.485	3.964	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(O)c1O	110007202	BQCQIKFQPZGUQV-UHFFFAOYSA-N	403.740	3.874	10	20	HHCD	
CCc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1	145657232	UFPSOXLCWGZEAX-SFHVURJKSA-N	404.514	3.762	10	20	HHCD	
Cc1c(CNC(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n(C)c2ccccc12	430946506	WOXSHWXVBOMTFU-SFHVURJKSA-N	404.514	3.681	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccccc1I	541129366	QNFCIYZYYVTSBU-UHFFFAOYSA-N	423.254	3.788	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC=C(c4ccc(O)cc4)CC3)CC2)cc1	726715006	FPYZQBJCYQOZLF-UHFFFAOYSA-N	407.514	3.869	10	20	HHCD	
COc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2=O)cc1	731016089	MMIHADDVWYQYBW-FQEVSTJZSA-N	421.541	3.601	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)cc2)cc1F	731408568	QJJJWIMCNXUKFG-UHFFFAOYSA-N	409.408	3.528	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Br)c2)cc1F	731409506	UTESHYQIMUWHAT-UHFFFAOYSA-N	422.298	3.689	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c1	734016872	KLRFGZCKEDDLKO-QFIPXVFZSA-N	418.493	3.887	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Cl)c2ncccc12	741097009	IPYYXSOXAOTSPP-UHFFFAOYSA-N	406.873	3.519	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c(Cl)nc2ccccn12	742801457	ZNKFFVBEFRKZQP-ZDUSSCGKSA-N	420.847	3.988	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]c(C)c1Br	743807820	HMLWNSLFRFBRMP-UHFFFAOYSA-N	417.101	3.611	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)C2(O)CCC2)c(C)n1-c1ccc(OC(F)F)cc1	744841049	SDVVEQJJTBHMNP-AWEZNQCLSA-N	407.413	3.725	10	20	HHCD	
CCC(CC)(CNC(=O)NCc1ccc(N(C)C)cc1C)NC(=O)OC(C)(C)C	745829253	XLIIODRIBLSKAU-UHFFFAOYSA-N	406.571	3.944	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nn(-c2ccc(F)cc2)cc1O	748015508	TXXVWGDBOCZBDB-UHFFFAOYSA-N	408.477	3.980	10	20	HHCD	
O=C(NCCC1CCN(CC(F)(F)F)CC1)NCc1c(O)ccc2c1CCCC2	748965498	GCXHDZJSPOIGEH-UHFFFAOYSA-N	413.484	3.735	10	20	HHCD	
COc1ccc([C@@H]2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1	749933216	NBVZRWGDUUAPAI-WIYYLYMNSA-N	409.530	3.792	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1O	750057425	MKIFJRXMYDJEBV-SFHVURJKSA-N	414.811	3.757	10	20	HHCD	
COC(=O)CCc1nc(COC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)no1	750409813	ANGFTZKZJINOQD-UHFFFAOYSA-N	411.458	3.557	10	20	HHCD	
C[C@H](c1ccccc1)N(C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751931189	OMWGAAAGUZPPJE-OAHLLOKOSA-N	409.511	3.693	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@H](Oc2ccccc2Cl)C1	752099194	BPJNOWFQMRXCPG-IBGZPJMESA-N	401.938	3.518	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCNc3cccc(F)c3)CC2)cc1	753149146	HWZMUPOYUIENHU-UHFFFAOYSA-N	400.498	3.605	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cn(-c3ccc(Br)cc3)cn2)c1	756765582	DHLRTWONNADIQA-GFCCVEGCSA-N	416.275	3.840	10	20	HHCD	
C[C@H](N[C@H](CO)C[C@@H](O)c1ccccc1)c1cc(Br)cc(Cl)c1O	756771319	VDVFVIDGCNVPEN-PZSREKOKSA-N	414.727	3.943	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	757945966	OTAGYQQHIUMODD-KRWDZBQOSA-N	411.493	3.570	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)c(C)n1-c1ccccc1Br	758826723	UOYRDAHZMRQVHW-OAHLLOKOSA-N	413.319	3.867	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc([C@H]2CCCO2)s1	760397899	MYAUQFJFGKSTTO-XJKSGUPXSA-N	423.485	3.995	10	20	HHCD	
O=C(CN1CC[C@H](NC(=O)NC2CC2)C1)Nc1ccc(N=Nc2ccccc2)cc1	760895721	CROQWUGZZNLONQ-FQEVSTJZSA-N	406.490	3.576	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CC[C@H](C(F)(F)F)C1	761047779	XAUUCTQNBLKWDA-STQMWFEESA-N	416.399	3.673	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)c1O	761198848	WACRJHJGKUZJNP-GOSISDBHSA-N	411.329	3.871	10	20	HHCD	
Cc1cc(CN2CCN(S(C)(=O)=O)c3ccccc3C2)c(O)c(C(C)(C)C)c1	763325035	CIMAVMQQJZKGHF-UHFFFAOYSA-N	402.560	3.780	10	20	HHCD	
C[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(N2CCOCC2)cc1Cl	764788506	LLFVNNISSRLTDI-KRWDZBQOSA-N	411.937	3.667	10	20	HHCD	
CC[C@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(N(C)C)cc1	765239731	SNAWYAYRJXSLES-DEOSSOPVSA-N	424.589	3.654	10	20	HHCD	
CCc1nc2c(s1)[C@H](NCCN1CCN(c3ccc(OC)cc3)CC1)CCC2	765403223	UCUCKZFZUYBHRG-LJQANCHMSA-N	400.592	3.503	10	20	HHCD	
C[C@@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCC2)c(F)c1	765621224	AOTRVUHIFYWQTC-GYCJOSAFSA-N	424.520	3.721	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)c1	772489764	MSKTVDSEYJUHOQ-AWEZNQCLSA-N	423.494	3.763	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)Cc1ccccc1Cl	772717969	JVHJOWSUPAWIRO-LJQANCHMSA-N	424.875	3.630	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c3c2CCCC3)cc1	773739413	HOGFHCWPPDBORY-INIZCTEOSA-N	405.498	3.832	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F	773739766	JWAYVPLKYPOAPL-SNVBAGLBSA-N	422.819	3.631	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)COc2ccccc2C(F)(F)F)c1O	774974936	MHZZJGJJYUPRIX-LLVKDONJSA-N	400.353	3.885	10	20	HHCD	
C[C@@H](NCc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(N2CCOCC2)cc1	775259331	HRMRCQZHQQPNOD-MRXNPFEDSA-N	422.554	3.596	10	20	HHCD	
CC[C@H](C)n1nc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C	776025590	CPSQZJIYXVUBQZ-AWEZNQCLSA-N	403.502	3.584	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2COC3(CCOCC3)O2)c(C)n1-c1ccc(C(C)C)cc1	777425154	DETTWHVIXUODPG-OAQYLSRUSA-N	412.530	3.869	10	20	HHCD	
CC(C)(C)Oc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1	779408243	RXGBWIOHQKJANE-LJQANCHMSA-N	413.518	3.855	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1	779511656	VJVLGRFXGVROBC-UUILKARUSA-N	406.413	3.819	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1	779518101	WKWJCWYEOGKJNH-XSLBHYSZSA-N	404.507	3.701	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC3(O)CCCCCC3)cc2F)C[C@@H](C)O1	779527488	ACUGTZMQZSEWPC-QZTJIDSGSA-N	421.557	3.666	10	20	HHCD	
O=C(/C=C\c1cccc(O)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	781075894	LNWLOEUSNQDURR-DAXSKMNVSA-N	406.404	3.577	10	20	HHCD	
Cc1cc(C(=O)CN(CCO)C2CCOCC2)c(C)n1-c1ccc(F)c(Cl)c1	781981236	ISAMPLKTQCTUKA-UHFFFAOYSA-N	408.901	3.543	10	20	HHCD	
CC(C)CCn1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n1	782896228	ONTDRUCVLYMMAX-UHFFFAOYSA-N	412.534	3.935	10	20	HHCD	
COC(=O)c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1	783482851	LPVXVHSIYCQUKK-MRXNPFEDSA-N	417.465	3.788	10	20	HHCD	
COc1cccc(C[C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	783503614	GELJMGOJUIFCIW-HNNXBMFYSA-N	409.452	3.666	10	20	HHCD	
COc1ccc(Br)c(C(=O)NCCCN[C@H](C)c2ccccc2O)c1	783509626	LILSCMTUFYATQW-CYBMUJFWSA-N	407.308	3.634	10	20	HHCD	
COC(=O)c1csc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1C	784109574	VYZKNLQKPQGFND-UHFFFAOYSA-N	415.515	3.587	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc(Br)c1OC	786018348	GWMCYQFBPVBYQN-UHFFFAOYSA-N	411.271	3.601	10	20	HHCD	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788936995	LXHXOQQYVRAJCX-PZJWPPBQSA-N	405.542	3.616	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	792206930	RRHPCJRYUZWTPP-UHFFFAOYSA-N	410.301	3.665	10	20	HHCD	
O=C(COC(=O)C1(Cc2ccccc2Br)CC1)c1ccc(O)c(O)c1	796388429	PTPLQYOVBYEDSE-UHFFFAOYSA-N	405.244	3.609	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N(CCc1ccccn1)Cc1ccncc1	798108974	LKOZCTLESMUPHG-UHFFFAOYSA-N	413.525	3.807	10	20	HHCD	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)C1	798367052	SDAOVMUGWHMIAF-CIQXWFTPSA-N	417.619	3.711	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)cc1)C1CCCCC1	800703062	TYUCBUQKCYFVMU-OAQYLSRUSA-N	421.607	3.564	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)c3c(F)cncc3F)cc2F)C[C@@H](C)O1	804968423	DFMPBROHVKGDNQ-HZSPNIEDSA-N	422.451	3.673	10	20	HHCD	
O=C(CCCCN1C(=O)c2ccccc2C1=O)NCc1cc(Cl)cc(Cl)c1O	807840300	XVZLEGAPAHKLSG-UHFFFAOYSA-N	421.280	3.782	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cccc(F)c2Cn2cccc(C)c2=O)c1O	809785292	RBWPHQOFROHELF-UHFFFAOYSA-N	413.405	3.579	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl	809915083	RWHXGAWFTFDELF-UHFFFAOYSA-N	404.854	3.749	10	20	HHCD	
CC[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(C(F)(F)F)cc1O	810228067	QTDJNECIVMZHDO-AWEZNQCLSA-N	422.494	3.834	10	20	HHCD	
CCOc1ccc([C@H](O)C2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3O)CC2)cc1	812776905	RTCDDTOGFNUJDL-FQEVSTJZSA-N	416.474	3.653	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C	813811627	GDXJLHILQJMECV-IRXDYDNUSA-N	409.502	3.661	10	20	HHCD	
C[C@@H](Nc1cnn(-c2ccccn2)c(=O)c1Br)c1ccc(N(C)C)cc1	814877542	ZUWBRJFPUVOGHA-CYBMUJFWSA-N	414.307	3.629	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3Cl)cc2F)C[C@H](C)O1	816891163	KESYVIUUMXUBKO-STQMWFEESA-N	421.856	3.931	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1	818825992	SBZJYJDVTQWBPG-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc(OCC(F)(F)F)nn3)cc2F)C[C@H](C)O1	820634700	QFDPMFVAEDIFLG-STQMWFEESA-N	414.403	3.783	10	20	HHCD	
COc1ccc(C)cc1N1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O	914436948	FFMPHPYXIGWQKF-LJQANCHMSA-N	421.541	3.614	10	20	HHCD	
Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	916456270	BBYRQTCVKOZPJX-MRXNPFEDSA-N	422.447	3.934	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(N2CCCCC2)cc1	916668055	CSQKTYYJFQBGRB-UHFFFAOYSA-N	412.509	3.974	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(N3CCNC3=O)CC2)c(C)n1-c1ccc(C(C)C)cc1	917164440	MZJIDLCJKRDSPY-UHFFFAOYSA-N	422.573	3.890	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)n2)cc1	917845352	VNNOXOZFVCIYRA-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3cc4ccccc4nc3O)cc2F)C[C@H](C)O1	918141400	WIGTYWVAURJBMV-HOTGVXAUSA-N	423.488	3.552	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1OC(F)(F)F	918306529	AGLWBINQIZDOSP-UHFFFAOYSA-N	409.408	3.638	10	20	HHCD	
CCC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	919456771	RPQIGWGRIJWKLN-LJQANCHMSA-N	410.514	3.777	10	20	HHCD	
C[C@@H](CCNC(=O)NCc1c(O)ccc2c1CCCC2)N(C)C(=O)OC(C)(C)C	1318840390	XKIRRKBHPXGZNF-HNNXBMFYSA-N	405.539	3.716	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CO[C@@H]2CCOC2)sc(C)c1-c1ccc(F)cc1	1319065931	BFHJDOQVPJKDLG-OAHLLOKOSA-N	407.463	3.783	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccn(C2CCCCC2)n1	1322080775	ROQOWRBSUGXRIF-UHFFFAOYSA-N	415.513	3.810	10	20	HHCD	
COc1ccc([C@H](NC(=O)c2cccc(O)c2O)c2ccc(OC)cc2OC)cc1	1324918566	DFFXYHWKQKTMSE-NRFANRHFSA-N	409.438	3.643	10	20	HHCD	
CN1CCN(c2ccc(CNCCOc3cccc(Br)c3)cc2F)CC1	1327191860	GPIDEKGWFYSJSO-UHFFFAOYSA-N	422.342	3.509	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1-c1nnc(Cn2nnc(-c3ccccc3)n2)o1	1331875429	YHYUJDQNJKJKRF-UHFFFAOYSA-N	403.471	3.907	10	20	HHCD	
Cc1ccccc1-n1cnn(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=S	7317543	QRYUKENYWGOYAN-UHFFFAOYSA-N	409.559	3.638	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	148454912	RHZQUXKBFVZAKU-GOSISDBHSA-N	418.541	3.876	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)N(C(C)C)C(C)C	211368815	AEGOFFGJQXONCJ-LICLKQGHSA-N	422.572	3.598	10	20	HHCD	
CCc1cc(O)nc(-c2ccc(NCc3ccc(N4CCC(O)CC4)c(F)c3)nc2)n1	301179912	PDLLSFCYIIBGCS-UHFFFAOYSA-N	423.492	3.519	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cccc(Cl)c2-n2cccn2)n(C)c2ccccc12	472784444	HLNHLSNPCPYLNT-UHFFFAOYSA-N	421.888	3.581	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H](CC(N)=O)c3ccccc3)ccc21	478180690	PSPRXEMCLGHVRW-QFIPXVFZSA-N	407.514	3.593	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@](C)(CO)Cc3ccccc3)ccc21	481092657	MHKZDJIXHUUBRJ-RUZDIDTESA-N	408.542	3.876	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cnn(Cc4ccccn4)c3)ccc21	590676603	XVRDUFDYVWGIBI-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	726239265	YNLSFAHPFYBMLJ-HSALFYBXSA-N	416.610	3.640	10	20	HHCD	
Cc1cc(C)nc(SCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	726566264	MEVNAQMZMDMBHX-UHFFFAOYSA-N	422.501	3.572	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)c1	729039692	QLVYLUGIQHQCBL-AWEZNQCLSA-N	413.474	3.528	10	20	HHCD	
COCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1Cl	730663174	BFWRSKZYRHSURE-UHFFFAOYSA-N	421.944	3.652	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)cc2)CC1	731016639	LOVJARODMBMUQO-XMMPIXPASA-N	419.569	3.773	10	20	HHCD	
O=[N+]([O-])c1ccc2nc(NCc3ccc(N4CCC(O)CC4)c(F)c3)sc2c1	731206722	QEQJZDQVFLMLBT-UHFFFAOYSA-N	402.451	3.917	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2nc(Cc3ccccc3)no2)cc1F	731403377	IZPRHSDEUMXRNH-UHFFFAOYSA-N	411.481	3.645	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccccc1O)C[C@H]1CCCO1	731845396	ZROBNWIZSHLNPV-LJQANCHMSA-N	413.474	3.619	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1ccc(OC(F)F)c(Cl)c1	733899082	DAZPVMPDRILDEM-UHFFFAOYSA-N	414.908	3.859	10	20	HHCD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1ccc(N2CCCCC2)cc1	736072788	SFLGWOAGVGZQIP-NQIIRXRSSA-N	400.567	3.513	10	20	HHCD	
C[C@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccs1	738795904	NLQJEAMZHUXALC-ZDUSSCGKSA-N	419.458	3.809	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1	742566084	SSXCBFNLRLLGMO-LJQANCHMSA-N	417.550	3.524	10	20	HHCD	
Cc1cccc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	742749384	GKAGYOIWQYWXEI-OAQYLSRUSA-N	411.546	3.986	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cccc1[N+](=O)[O-]	742799531	LCORCICUQFEFEF-AWEZNQCLSA-N	405.401	3.903	10	20	HHCD	
CCS[C@H]1CC[C@H](N(C)Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)C1	743398291	GIFWOGZOWPPDMM-SFTDATJTSA-N	406.592	3.533	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)[C@@H](C)c3cccnc3)cc2F)C[C@@H](C)O1	744280320	JNJYBXADHSOZAE-BBWFWOEESA-N	400.498	3.737	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3ccccn3)c2C)cc1	745525621	OAKDNWGABYYVDP-UHFFFAOYSA-N	420.465	3.634	10	20	HHCD	
CN(C)C(=O)c1cccc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	745848048	XGIOVGDRVOXUKR-UHFFFAOYSA-N	421.497	3.642	10	20	HHCD	
COc1ccc(CN2C(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1	748358558	WWLXQTZLTQXCPL-SXGWCWSVSA-N	402.453	3.710	10	20	HHCD	
CC(C)(C)c1nccc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1	749273100	PVJSFLNUFPTNER-UHFFFAOYSA-N	421.524	3.642	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)c1	751811958	BHMQWPHFVXEMEJ-GJZGRUSLSA-N	409.527	3.700	10	20	HHCD	
CN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCCC[C@H]1S(C)(=O)=O	753544528	NILOHYFSFGSOBS-RBBKRZOGSA-N	403.544	3.759	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)c1	756106417	PBSDJHJNEAMIEM-GFCCVEGCSA-N	421.291	3.596	10	20	HHCD	
C[C@H](NCCCc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1O	756534376	IKYYQXBBFITFRL-LBPRGKRZSA-N	411.319	3.895	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](c1ccc(C)cc1)n1cncn1	756690945	KKZRWXYRXYCCAV-IRLDBZIGSA-N	424.524	3.659	10	20	HHCD	
COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cc(Br)ccc2O)C1=O	756741561	GOGIQXJNFSVLBD-SWLSCSKDSA-N	405.292	3.619	10	20	HHCD	
Cc1noc(C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)c2ccccc2)n1	758547399	UNALCZBBDNDXHZ-HXUWFJFHSA-N	405.502	3.544	10	20	HHCD	
Cc1cc(-c2noc([C@@H](C)NC(=O)NCc3ccc(N(C)C)c(F)c3)n2)ccc1F	760892883	CREABZUHRYQFLN-CYBMUJFWSA-N	415.444	3.950	10	20	HHCD	
C[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Oc1ccccc1Cl	761069436	VIZIBINMHSCXBL-GFCCVEGCSA-N	409.269	3.931	10	20	HHCD	
C[C@@]1(c2ccccc2)NC(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O	761636826	QWBKCORLGLBTIB-JTSKRJEESA-N	415.440	3.724	10	20	HHCD	
CC[C@@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccc(F)cc1	763579716	RDRKZKIAUMMVDU-LJQANCHMSA-N	416.493	3.694	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C	765861258	AKJNLRBJJNEKHA-UHFFFAOYSA-N	401.482	3.632	10	20	HHCD	
C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1	766011969	QWKBDNYJNDIBOO-WMZOPIPTSA-N	407.530	3.712	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cnn1C(C)C	770663616	BRQGAFNFSVTZJH-UHFFFAOYSA-N	410.440	3.558	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1C(C)(C)C	771064871	LGOLFQVGIXECDD-QGZVFWFLSA-N	404.942	3.700	10	20	HHCD	
C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(N(C)C)cc1	773021755	BUWNOYSDYCWDRH-GTXQTCRKSA-N	417.912	3.942	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC(C)(C)COc2ccc(C(F)(F)F)cn2)c1O	775032258	GGQGYZZIIFAFBA-UHFFFAOYSA-N	415.368	3.670	10	20	HHCD	
C[C@@]1(CCCO)CCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	776152365	DCAKDQFRLCWOFF-IERDGZPVSA-N	411.493	3.593	10	20	HHCD	
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	777971173	HAOHAAQYENUACD-UHFFFAOYSA-N	409.483	3.708	10	20	HHCD	
CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782895430	BJJSYQKBISPYDY-UHFFFAOYSA-N	423.513	3.675	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(-c2ccccc2)ns1	784647412	PUVUNHXDCBXADE-UHFFFAOYSA-N	408.527	3.863	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)cc1	788964319	MVVILNOFVGOLCS-QFIPXVFZSA-N	408.546	3.688	10	20	HHCD	
CC[C@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)sc2C1	789743519	HXVCVAOHDKZMIR-KGLIPLIRSA-N	400.548	3.540	10	20	HHCD	
CN1CCC(Oc2ccc(CNC(=O)NCc3ccc4c(c3)CCCN4C)cc2)CC1	790925919	HUQZUWSKRXFPLL-UHFFFAOYSA-N	422.573	3.541	10	20	HHCD	
CC[C@H](C)n1ncc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C	792477462	AKIMMTAQPHOWEB-AWEZNQCLSA-N	403.502	3.584	10	20	HHCD	
COc1ccc(CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(O)c1	794381051	IVOANVUTKHWKTG-NRFANRHFSA-N	404.466	3.578	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(F)c4ccccc34)cc2)CC1	795311452	WCDHMAQFWSBWOP-UHFFFAOYSA-N	405.473	3.577	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1	797649045	NRIPRRMTNUHLNF-ZFWWWQNUSA-N	420.893	3.919	10	20	HHCD	
O=C(NCC1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1)C(F)(F)F	799139581	QPZVZNQVKNJWON-UHFFFAOYSA-N	410.436	3.908	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cn3)CC2)cc1F	799421886	GNMDJDYOOKYALR-UHFFFAOYSA-N	407.445	3.984	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)Cc3ccc4c(c3)NC(=O)C4)cc2Cl)C1	800049344	IQEDMMHJTPHYNL-HNNXBMFYSA-N	411.933	3.930	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1	801883414	BOZSZGDKDWLLJY-NSHDSACASA-N	411.380	3.741	10	20	HHCD	
Cc1cc(Br)cc(CN[C@H]2CCN(C(=O)Nc3ccccc3)C2)c1O	802659365	RAARUAKJVOFMHT-KRWDZBQOSA-N	404.308	3.859	10	20	HHCD	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C2CC2)o1	807290119	PZAFVXBOWQHYHJ-HTAPYJJXSA-N	419.525	3.587	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCCc2c[nH]c3cccc(Br)c23)c1	812043800	QCQCUDNNQLXMST-UHFFFAOYSA-N	418.291	3.687	10	20	HHCD	
O=C(NCc1cnn(Cc2ccccc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	916579485	DUQUIAIZDFGEKP-JOCHJYFZSA-N	420.513	3.528	10	20	HHCD	
Cc1cc(O[C@@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Cl	916732286	DPCYZPABEWIVIC-KRWDZBQOSA-N	402.922	3.911	10	20	HHCD	
COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1C	917852063	AWAPNAUESKRBRJ-UHFFFAOYSA-N	418.496	3.965	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2)C[C@H](C)O1	918036595	XMYDKNZTMLXURB-ROUUACIJSA-N	423.561	3.958	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1	918048388	YYWLUEMONAPCNP-KRWDZBQOSA-N	410.543	3.706	10	20	HHCD	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918220067	SFPJJJDZFAXZPJ-HNNXBMFYSA-N	403.473	3.829	10	20	HHCD	
COc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2c1	919971062	LRSCANRUOKBHTQ-UHFFFAOYSA-N	423.488	3.582	10	20	HHCD	
Cc1cc(O)c(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1C(C)C	921049759	UFAFREVPSCMMOA-UHFFFAOYSA-N	400.494	3.686	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sc2cccc(F)c2c1C	1325382398	NHULUFDMNZALHK-AWEZNQCLSA-N	417.458	3.664	10	20	HHCD	
CN(C)S(=O)(=O)c1ccc(OCCSc2ncc(-c3ccccc3)n2C)cc1	8252387	USCSDJCTKVJMGL-UHFFFAOYSA-N	417.556	3.509	10	20	HHCD	
CCN(CC)c1ccc(CNC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	30653363	FLWZDAVUSGDUFQ-UHFFFAOYSA-N	415.603	3.784	10	20	HHCD	
CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1	32085233	GOQXXRJJBPJHPJ-UHFFFAOYSA-N	416.952	3.711	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H](C(C)C)N3CCCCCC3)CC2)cc1	110419672	FEZVGVAHKFDKEA-HSZRJFAPSA-N	416.610	3.864	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)NC(=O)C(C)(C)C)cc1	303554250	WJWNUSKBXGKPNF-KRWDZBQOSA-N	411.546	3.845	10	20	HHCD	
Cc1c(CNC(=O)c2cnn(CCN(C)C)c2-c2ccccc2)n(C)c2ccccc12	509411033	NRAXUROOPVFTAN-UHFFFAOYSA-N	415.541	3.842	10	20	HHCD	
CCN(Cc1ccoc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	726610518	HEZCLLNGRZMVOH-UHFFFAOYSA-N	411.424	3.867	10	20	HHCD	
COCCOc1ccc(F)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	727590651	CJOOPZWYDBJOSS-SFHVURJKSA-N	418.465	3.770	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(-c3nc(C)cs3)cc2)c1	729061914	LUGRNHRZWHETRP-ZDUSSCGKSA-N	411.483	3.649	10	20	HHCD	
CNC(=O)CCOc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	729581712	QWASTJJJQYXYSQ-UHFFFAOYSA-N	424.545	3.856	10	20	HHCD	
COCCN(CCOc1ccc(F)cc1)C(=O)c1cc(C)n(-c2ccccn2)c1C	731200401	BNTMDRHVCSDGCW-UHFFFAOYSA-N	411.477	3.796	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1F	731346338	UDKJQPJGWNULGZ-UHFFFAOYSA-N	419.884	3.940	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccnc(OC3CCOCC3)c2)cc1	733276401	NMOUYUZDTKZRPN-UHFFFAOYSA-N	405.498	3.977	10	20	HHCD	
Cc1cccc(-c2nnc(S)n2CCC(=O)NCCCSc2nccs2)c1	734358783	NYSZICPDKMDYCN-UHFFFAOYSA-N	419.601	3.687	10	20	HHCD	
COC(=O)C[C@@H](C)SCC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	734367843	KMSZZIZOAZYZBO-CQSZACIVSA-N	403.500	3.748	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(OC)ccn3)c2C)cc1	734911818	FTQANQQTKZIEDZ-UHFFFAOYSA-N	408.454	3.936	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCCOc2cccc(S(C)(=O)=O)c2)cc1	738590561	KRQOJYTWKVVMAQ-UHFFFAOYSA-N	413.495	3.733	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1[N+](=O)[O-]	740609446	LVIFCAITYOTUAI-UHFFFAOYSA-N	405.476	3.641	10	20	HHCD	
CCCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	741080414	JHDORQXJKIRLKQ-BRKWEVRTSA-N	415.578	3.819	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)cc1	743213250	PZADIAISHYTLDX-UHFFFAOYSA-N	423.496	3.847	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1c1ccccc1	743555457	YYYBCRRKICCCJS-RXVVDRJESA-N	411.521	3.998	10	20	HHCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC	743870253	NMSCRINKSXUMLV-GOSISDBHSA-N	411.546	3.652	10	20	HHCD	
Cc1cnc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)o1	744678009	RVMVXCSLXIVRNS-MDWZMJQESA-N	408.526	3.769	10	20	HHCD	
CCN(CC1CCN(c2ccccn2)CC1)C(=O)NCc1ccc2c(c1)CCCN2C	745788847	SIQWUXIRCMICIH-UHFFFAOYSA-N	421.589	3.912	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1	745797709	OPXFQEFUHBTERS-INIZCTEOSA-N	417.550	3.717	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](c2cc[nH]n2)C1	745905673	PTOKRHWYNVETOU-HZPDHXFCSA-N	419.476	3.569	10	20	HHCD	
COc1sc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1Br	746521236	FUDKJUVNVRBMLF-TWGQIWQCSA-N	422.347	3.585	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3cc(F)cc(F)c3)cc2F)C[C@@H](C)O1	748827833	UGVXNSCOCSSKGV-GASCZTMLSA-N	421.463	3.759	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc4c(c3)CCCN4C(C)=O)CC2)cc1	749336788	DSGJKHAEAJXVKQ-UHFFFAOYSA-N	422.529	3.739	10	20	HHCD	
CC(C)C[C@H]1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	751070030	WCCFIRVBMGMITB-CQSZACIVSA-N	408.545	3.763	10	20	HHCD	
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1	752150993	DKWWBRVBVAGRDA-QGZVFWFLSA-N	404.850	3.704	10	20	HHCD	
C[C@H](NC(=O)N(CCc1ccccc1)[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1	752915006	LLESFAPIGSPSQR-RDPSFJRHSA-N	423.557	3.627	10	20	HHCD	
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	753643265	GMRNUARWQPAYMF-GFCCVEGCSA-N	400.456	3.674	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C[C@@H](C)C(=O)c3cccc(F)c3)CC2)cc1F	753738348	HXMJJEWQWAXJLK-OAHLLOKOSA-N	402.441	3.531	10	20	HHCD	
O=C1OC(c2ccccc2C(F)(F)F)=N/C1=C\c1ccc(N2CCOCC2)cc1	755032627	QAKYUJLYYVVAHU-AQTBWJFISA-N	402.372	3.887	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br	755327263	RKVQGVFLUVXJQD-UHFFFAOYSA-N	406.280	3.591	10	20	HHCD	
CCNC(=O)COc1cccc(CN[C@H](C)c2cc(Br)ccc2O)c1	756434649	XRWWVVLYERFKRK-CYBMUJFWSA-N	407.308	3.520	10	20	HHCD	
C[C@H]1C[C@@H](NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c2c(O)ccc(F)c21	756476115	LYZLZKLAWGKKST-KBXCAEBGSA-N	404.507	3.654	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2cc(Br)c(F)cc2O)c1	756587841	CWSLOLRJHFWRDF-MGNBDDOMSA-N	414.271	3.695	10	20	HHCD	
C[C@H](NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc(Br)cc(F)c1O	756764385	HZTQTAXDHKVHTC-UYHISHBKSA-N	415.347	3.712	10	20	HHCD	
C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1cc([N+](=O)[O-])ccc1O	756774145	GQCXAAVWSUXHAZ-SVIJTADQSA-N	405.882	3.676	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1	757552126	PTXNWBFVNZDWLX-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2C)c(OC[C@H]2CCCO2)c1	757703177	RSBCQPZNWVMOAD-JOCHJYFZSA-N	411.546	3.927	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(OCC(F)F)c1	759382615	AEIVENMVOMVMEJ-UHFFFAOYSA-N	415.234	3.856	10	20	HHCD	
C[C@H](NC[C@H](CO)Cc1ccccc1Br)c1cc([N+](=O)[O-])ccc1O	760034125	LAQMFAXJOVMPRT-QWHCGFSZSA-N	409.280	3.565	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cc(F)cc4cccnc34)CC2)cc1	760659595	XPZRFGSNOUYJDO-UHFFFAOYSA-N	408.521	3.684	10	20	HHCD	
Cc1noc(C[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)c2ccccc2)n1	760756808	DBBQSUGCOWVQFO-FQEVSTJZSA-N	401.470	3.894	10	20	HHCD	
O=C(/C=C\c1ccc(Cl)nc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761984098	WHJYIAULYFXKHJ-LYLYKKCESA-N	406.313	3.888	10	20	HHCD	
Cc1sc(Cl)nc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	762895908	BXCCRYJCEQJRQH-ZDUSSCGKSA-N	400.331	3.858	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nc(SC)ns1	762954670	ZXCTXNOALPEWHB-UHFFFAOYSA-N	403.327	3.782	10	20	HHCD	
O=C1/C(=C/c2cc(Br)cc3c2OCC3)NC(=S)N1Cc1ccccc1	764888874	ZOXAPXILQFSMIE-YBEGLDIGSA-N	415.312	3.642	10	20	HHCD	
CCN(Cc1ccccc1)S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	765160006	JFUGEFGEVDMTDG-UHFFFAOYSA-N	401.576	3.876	10	20	HHCD	
COc1cc(C(=O)NCc2cccc(Br)c2O)ccc1OC(F)F	765747496	OYJTZXDVOGVMPB-UHFFFAOYSA-N	402.191	3.695	10	20	HHCD	
O=C(c1c(F)cccc1F)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	769150681	CQFJHSBSCUNXJX-UHFFFAOYSA-N	401.240	3.935	10	20	HHCD	
Cc1cc(C(=O)NCCCCN2CCC[C@H]2CO)c(C)n1-c1cccc(Cl)c1	770371850	XHGFONHLAJBPLT-FQEVSTJZSA-N	403.954	3.714	10	20	HHCD	
CCc1nn(C)c(OC)c1CNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	771947009	FBNMWUYFPCEYPK-UHFFFAOYSA-N	413.566	3.759	10	20	HHCD	
CC(=O)C[C@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	773881746	IEBMPNDQPSLXBQ-SFHVURJKSA-N	419.319	3.677	10	20	HHCD	
Cc1cc(Br)cc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)c1O	775737760	SFBPNJXGJHYBIQ-CVEARBPZSA-N	412.349	3.849	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3ncc(C(C)(C)C)o3)cc2F)C[C@H](C)O1	776340926	KEPXYVYUKLOPJQ-HOTGVXAUSA-N	417.525	3.974	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1ccc(-n2cnnn2)cc1	777823906	ZKQRPASUJQOTTR-SFHVURJKSA-N	413.481	3.700	10	20	HHCD	
CC(C)[C@H](CSc1ccccc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	779061326	MTQACERTAGZVHD-QFIPXVFZSA-N	418.628	3.828	10	20	HHCD	
CNC(=O)CCCC(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	781231932	DKOJVPFZPHSLOI-UHFFFAOYSA-N	424.419	3.755	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c3c(C)noc3n2)cc1	782256441	WZFJPEFRDLMTGF-UHFFFAOYSA-N	418.405	3.958	10	20	HHCD	
C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785178676	FBKUYDVOKRYSBO-HNNXBMFYSA-N	409.490	3.802	10	20	HHCD	
C[C@@H]1[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CCN1C(=O)OC(C)(C)C	786631710	QHHUTAYEAWENMT-CVEARBPZSA-N	421.501	3.980	10	20	HHCD	
COCCOc1cc(OC)ccc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	788510451	DMLVQDNWENGBOV-UHFFFAOYSA-N	412.530	3.887	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl	790411924	WCHYZENRSAPPDQ-UHFFFAOYSA-N	404.271	3.849	10	20	HHCD	
C[C@H](NC(=O)c1cc2c(C(F)F)nn(C)c2s1)c1ccc(N2CCOCC2)cc1	791541162	JTAZONZMNMBQDI-LBPRGKRZSA-N	420.485	3.900	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)c(O)c1	792776454	RTSHJGJUOZRXCI-NSHDSACASA-N	409.280	3.732	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c(O)c1	792827057	MIBHZAPJUKMBSU-IBGZPJMESA-N	403.910	3.691	10	20	HHCD	
COc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1-n1nnnc1C	792869252	ZKXKYSOEUWVHRR-UHFFFAOYSA-N	406.412	3.676	10	20	HHCD	
Oc1ccc(Br)cc1CNCCCCn1cc(Br)cn1	793207052	NXDSFXLRCOCNIB-UHFFFAOYSA-N	403.118	3.684	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CC[C@@]2(C)CCC(=O)N2)cc1	793481168	ZIVHDFGZIHLHTK-XMMPIXPASA-N	409.530	3.743	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccsc3Br)CC2)cc1	801066002	ITCBKENNEFTGDV-UHFFFAOYSA-N	424.364	3.987	10	20	HHCD	
CC(C)(CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1F	804128784	QPFZZXHBIGKLOK-UHFFFAOYSA-N	424.472	3.747	10	20	HHCD	
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	805312630	SPXCRUWGGBOYLN-VXGBXAGGSA-N	418.321	3.755	10	20	HHCD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	806514314	VHERTHGENWSSEV-KRWDZBQOSA-N	421.516	3.830	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F)c1ccc(N(C)C)cc1	806986120	GUZRBMVZPDLKOH-ZIAGYGMSSA-N	423.435	3.898	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1O	808677968	HGZSCYBXFRYARH-DOTOQJQBSA-N	401.938	3.907	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)nn1C1CCCCC1	810348103	IHBHNLRMEWNESG-UHFFFAOYSA-N	409.534	3.552	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)c1O	812539475	FFSYKEQEEMABMI-UHFFFAOYSA-N	420.465	3.757	10	20	HHCD	
C[C@H](N[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)cc1	815082164	CCPKNCGSKIAVQD-BSRJHKFKSA-N	411.521	3.675	10	20	HHCD	
CC(=O)N/C(=C/c1ccccc1)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	871637782	MJXTYNZGZSJOKO-JJIBRWJFSA-N	401.510	3.930	10	20	HHCD	
Cc1cc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)no1	913362380	WIHKIWDXDDIJIZ-ZROIWOOFSA-N	408.526	3.769	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	914614245	WPZHYSJEJPZTDW-UHFFFAOYSA-N	408.414	3.501	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	914777946	HPBMVRILOVUYEZ-KRWDZBQOSA-N	415.484	3.821	10	20	HHCD	
Cn1cnc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1Cl	914793603	YPCJHYZMRRCNTI-UHFFFAOYSA-N	420.850	3.599	10	20	HHCD	
O=C(Nc1ccc2c(c1)OC(F)(F)O2)N(Cc1ccccc1O)C[C@H]1CCCO1	916672984	AKQCKTJLCYCZQY-OAHLLOKOSA-N	406.385	3.927	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(-n2cccn2)c(F)c1	916691831	HVVVMMUKOKULGL-UHFFFAOYSA-N	423.492	3.542	10	20	HHCD	
COc1ccc(N2CCN(CCC(=O)Nc3ccc(Br)cc3)CC2)cc1	916984862	OOGYCARUUKJBNB-UHFFFAOYSA-N	418.335	3.609	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cccc(CN4CCCC4=O)c3)CC2)cc1	918031420	ACWBFXLQNRNGLY-UHFFFAOYSA-N	422.529	3.562	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCc2cnn(-c3ccccc3)c2)C2CC2)cc1	918062819	PDZAQDYRJGJOCY-UHFFFAOYSA-N	403.530	3.855	10	20	HHCD	
CN(CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(=O)OC(C)(C)C	918070099	PGRSJPHWOIWARH-UHFFFAOYSA-N	404.555	3.684	10	20	HHCD	
CSc1ccc(Cl)c(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1	919879384	AANBTBYBSIYJJE-UHFFFAOYSA-N	410.948	3.549	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3cc(C(C)(C)C)nn3C)cc2F)C[C@@H](C)O1	1115856501	WYRPMDSBFQPUTN-HUUCEWRRSA-N	417.529	3.792	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1	11853406	FOHKGLRODPTJRQ-UHFFFAOYSA-N	421.463	3.656	10	20	HHCD	
COc1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(C(N)=O)cc1OC	72047338	YDZJBJHGJPCPIK-UHFFFAOYSA-N	411.433	3.602	10	20	HHCD	
Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)NCc1c(C)c2ccccc2n1C	469936124	TWAJMTRNAGIAST-UHFFFAOYSA-N	420.513	3.589	10	20	HHCD	
COc1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1-n1nnnc1C	726548026	WOCJZMMQQPDOPH-UHFFFAOYSA-N	408.487	3.701	10	20	HHCD	
CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	727614643	DMQKIAZBGOMBPN-UHFFFAOYSA-N	413.493	3.809	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c1	729061309	AHZQWTMVMHDRPP-VIFPVBQESA-N	413.257	3.532	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1	729492022	NSGXKKKADCDODN-UHFFFAOYSA-N	400.376	3.749	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCCc2ccc(Br)cc2F)cc1F	731049185	OTUCCNVDPNTXNW-UHFFFAOYSA-N	412.278	3.835	10	20	HHCD	
CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)Cc1ccccc1O	731843467	IPZVDCRVWNOMJA-UHFFFAOYSA-N	407.445	3.854	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cc(Br)cnc2N(C)C)C2CC2)cc1	733218449	NBYKNHCESOJHRE-UHFFFAOYSA-N	417.351	3.781	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1Cl	734702021	QKGTZOGKNWWGDL-UHFFFAOYSA-N	403.910	3.758	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)c(C)n1-c1ccc(Br)cc1	736588421	UGKNOSXHRQASSH-SUXZAAGHSA-N	423.376	3.838	10	20	HHCD	
CC(C)(C)OC(=O)NC1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1	740032259	GXMQLTUPQPMBGZ-UHFFFAOYSA-N	416.566	3.922	10	20	HHCD	
O=C(c1ccc(O)cc1)C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	740920079	RASWBZUPHFEOTG-UHFFFAOYSA-N	405.498	3.573	10	20	HHCD	
CC(C)c1ccc(OCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	746010866	MMEOCGXUUXVAPY-UHFFFAOYSA-N	414.521	3.996	10	20	HHCD	
CC(=O)N1CC[C@](C)(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)C1	747086692	VENWWQXQRNQAOJ-VWLOTQADSA-N	422.525	3.567	10	20	HHCD	
Cc1ccc(SCCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	748078365	LNPRORYKOQTRGI-UHFFFAOYSA-N	400.544	3.745	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)sn1	749235380	TUQOANWOLHVHIQ-UHFFFAOYSA-N	400.426	3.629	10	20	HHCD	
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	750134044	QUKLRBUDWZGSOQ-MNUVWUGUSA-N	402.560	3.912	10	20	HHCD	
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	750670872	OPPGUPBJHDDXSX-LUHXOMTRSA-N	405.608	3.898	10	20	HHCD	
CC(=O)c1cc(F)cc(CN(C)C[C@H](O)COc2ccccc2C(F)(F)F)c1O	750826820	PZPYMIRHKSQIRM-HNNXBMFYSA-N	415.383	3.624	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC[C@H](C)N3CCCCC3)cc2F)C[C@@H](C)O1	753108941	OUVQLICOYKMYNU-GBESFXJTSA-N	420.573	3.503	10	20	HHCD	
Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1	753548735	MXMHEYAOHYTMGC-REWPJTCUSA-N	407.514	3.650	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)Sc3ccccn3)cc2F)C[C@@H](C)O1	754225064	OVNJAAZLEXNPMO-XHSDSOJGSA-N	403.523	3.631	10	20	HHCD	
O=C1CCCc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc2N1	754539085	WLBFZEGJXBFEAH-UHFFFAOYSA-N	410.429	3.989	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](c1ccc(C)cc1)n1cncn1	756043789	BNSXWILILDSCOV-ISKFKSNPSA-N	423.536	3.720	10	20	HHCD	
CSc1ccc(CN(C)C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1	756335936	LNVYEKKIQJAJKX-HXUWFJFHSA-N	414.571	3.754	10	20	HHCD	
Cc1nc2ccccc2n1C[C@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	756623791	CNFJDVXMECAUNB-JOCHJYFZSA-N	419.573	3.534	10	20	HHCD	
COC(=O)[C@H](C)Oc1ccc(/C=C2\SC(=S)N(CCCSC)C2=O)cc1	758416948	UGNIBAZOQFPGTI-CMHHUMAZSA-N	411.570	3.581	10	20	HHCD	
Oc1c(Br)cccc1CNC[C@H]1CSCCN1Cc1ccccc1	758493191	ICDLQIHLLGRFOP-KRWDZBQOSA-N	407.377	3.862	10	20	HHCD	
CO[C@@H](c1ccc(F)cc1)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	762286052	BOWHIXDDYAAUHS-HXPMCKFVSA-N	406.841	3.725	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@](=O)C[C@@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	763876972	IULQVMOFKDCRRM-MMEWPQADSA-N	424.513	3.579	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1	764925766	GCXCXEMIZYXIML-KRWDZBQOSA-N	411.587	3.671	10	20	HHCD	
Cc1ccc(Br)c(S(=O)(=O)NCCCSc2nccs2)c1	765681587	CTHBEDXOKCFMSC-UHFFFAOYSA-N	407.380	3.675	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(F)c(Br)c1	765729608	QBUITPWWSLZNJT-UHFFFAOYSA-N	403.045	3.986	10	20	HHCD	
CC(C)CC(=O)N[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccccc1	765730447	BIAKVRVSKVTTNF-GOSISDBHSA-N	419.319	3.675	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CCN1C(=O)OC(C)(C)C	772339980	JGJLROGHEIYSCL-MJGOQNOKSA-N	416.566	3.874	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(N(C)C)cc1	773845646	INZNBXQPRGEZOO-NSHDSACASA-N	411.836	3.823	10	20	HHCD	
COCC(=O)N1CCc2cc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)ccc21	778001316	OKHYTYWANPWIHF-UHFFFAOYSA-N	403.482	3.882	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(O)nc4c(F)cc(C)cc34)CC2)cc1	778690860	NDJOWLARCFDJCV-UHFFFAOYSA-N	409.461	3.795	10	20	HHCD	
CC(C)c1nc([C@@H]2COCCN2Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)no1	779616444	SEKMMBIYIDEHGN-IBGZPJMESA-N	415.494	3.665	10	20	HHCD	
COc1ccc(/C=C\C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1O	781083932	IXVJIINGFYKXAF-NMIMRFFTSA-N	410.514	3.688	10	20	HHCD	
Cc1ccncc1[C@H](C)N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	783001982	NUZUNQKVQRKPSY-JKSUJKDBSA-N	413.477	3.843	10	20	HHCD	
CC(C)COc1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1Cl	783041990	IXFWBOMKRORVJO-UHFFFAOYSA-N	403.910	3.536	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1	784026663	XJHLTLHFVXIUFO-UHFFFAOYSA-N	411.502	3.754	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)Nc2ccccc2-c2ccccc2)cc1	784559714	SWBTZVBBKQTNDB-UHFFFAOYSA-N	404.466	3.980	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nn(C2CCCCC2)cc1C	784646911	NJZYBVCFNATOBY-UHFFFAOYSA-N	411.550	3.750	10	20	HHCD	
C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788937889	NYCPSRGRJSZKTH-MBSDFSHPSA-N	405.542	3.733	10	20	HHCD	
CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	789984105	OWEPFEKZMDBPET-UGKGYDQZSA-N	411.546	3.959	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2CCc3sccc3C2)nc1	797614350	YSGRNNGHZQZPQV-CQSZACIVSA-N	424.526	3.870	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3)n2)c(F)c1	798155775	XDBONASWQIAGQZ-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccncc1C(F)(F)F	800693178	BCHAYHSISRITJQ-AWEZNQCLSA-N	413.827	3.854	10	20	HHCD	
C[C@@H](N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	800996243	PYEULNPNMHAPBY-XLIONFOSSA-N	412.509	3.619	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)c3cccc(CC(C)C)c3)cc2)CC1	803162090	MFHPOHKBTKPBDK-HXUWFJFHSA-N	421.585	3.974	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H]1CCO[C@@H](C(F)(F)F)C1	806132704	YUYHRIDLLXSNAU-CZUORRHYSA-N	412.374	3.742	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccccc1Cl	806276968	YCZMJZYCUXUGKC-OAHLLOKOSA-N	411.980	3.908	10	20	HHCD	
Cc1csc([C@@H](C)CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)n1	807354038	ZFTSBFRIUBZLOV-HNNXBMFYSA-N	415.559	3.738	10	20	HHCD	
Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807513364	ZMLDNIOAJLFORR-UHFFFAOYSA-N	420.252	3.917	10	20	HHCD	
COc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807673093	NHTREDXUQHVVJH-UTKZUKDTSA-N	411.546	3.842	10	20	HHCD	
CSc1ccc(F)cc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	807843734	OFBGJFQQFXFQGK-UHFFFAOYSA-N	417.550	3.667	10	20	HHCD	
COCC[C@@H]1COCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12	812299118	BSNWNOIYEVTCPW-GOSISDBHSA-N	409.482	3.711	10	20	HHCD	
Cn1cc(/C=C/C(=O)N2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)cn1	813302802	MDCUQYRPVCPRPR-VBROQKIQSA-N	419.298	3.741	10	20	HHCD	
CN1CCc2cc([C@H]3Nc4ccccc4C(=O)N3CCNC(=O)OC(C)(C)C)ccc21	877857117	YHKKZJACBLANJT-NRFANRHFSA-N	422.529	3.770	10	20	HHCD	
COc1ccc2c(c1)c1c(n2Cc2nc(CC(=O)NC3CCCCC3)no2)CCCC1	904243875	YDODVQFBWRUSKZ-UHFFFAOYSA-N	422.529	3.951	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(-c2nccs2)cc1	915778943	SVPLLBNIMLWGGG-UHFFFAOYSA-N	406.511	3.665	10	20	HHCD	
O=C1CCCN1Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	916677927	VPLYDYIAELOKLH-OAQYLSRUSA-N	423.513	3.728	10	20	HHCD	
CC(C)c1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1-c1ccccn1	917385916	AOUCSLVRFUXWII-UHFFFAOYSA-N	421.570	3.874	10	20	HHCD	
Cc1cc(CCNC(=O)N(C)Cc2cccc(C(N)=O)c2)c(C)n1-c1ccccc1	918062666	APOZMPCPWHKJIA-UHFFFAOYSA-N	404.514	3.577	10	20	HHCD	
CCCCc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	918295294	PYOVUPUNWKXFGA-OAQYLSRUSA-N	410.514	3.881	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)cc1	918434301	LCGUMWDLBDDQCY-UHFFFAOYSA-N	419.529	3.590	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnc(-c2ccccc2)s1	919968358	GUWJDDXAHLTFAA-UHFFFAOYSA-N	407.539	3.949	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2c(C(C)C)noc2n1	920863355	IXXXEDZXWCXEOJ-UHFFFAOYSA-N	422.529	3.793	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(F)cc1	921089317	WAZIENLAIKUTII-JBYIUTFZSA-N	413.537	3.947	10	20	HHCD	
C[C@@H]1CCCCN1C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1116442994	AYVIMJZMMYRRGS-IFMALSPDSA-N	402.602	3.664	10	20	HHCD	
COc1ccc2cc(C(=O)Nc3cccc(N4CCN(C(C)=O)CC4)c3)ccc2c1	1320525217	IQEHQAFZWNLYLB-UHFFFAOYSA-N	403.482	3.769	10	20	HHCD	
O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1c(Cl)ccc2nonc12	1323708582	YWGSJIJQESHGQT-UHFFFAOYSA-N	414.270	3.722	10	20	HHCD	
COc1ccccc1CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	117644211	DSYBVQKBRHIOOP-IRXDYDNUSA-N	415.509	3.790	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)NCc2c(C)c3ccccc3n2C)N(C)C)cc1OC	471496527	PURQJSDQNPXJOE-OAQYLSRUSA-N	424.545	3.606	10	20	HHCD	
CCN(CC(=O)N1CCCCCC1)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	553305899	JZGLHUZTPHPEHG-UHFFFAOYSA-N	413.562	3.769	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	607703512	KGPBXNCUPVUCMJ-UHFFFAOYSA-N	407.426	3.591	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)c1	729037248	RJQRXRBVJRKTLM-BBWFWOEESA-N	413.518	3.893	10	20	HHCD	
COc1cccc(CNC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)c1O	729859198	LUTHGHOXVKGZAJ-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
COc1cccc(CNC(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1O	729859847	XXJASHBJNQHZFI-UHFFFAOYSA-N	403.529	3.739	10	20	HHCD	
COc1cc(Cl)ccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	730827619	GCORWYPEALBFAT-UHFFFAOYSA-N	403.910	3.527	10	20	HHCD	
Cc1ccc(CCC(=O)NCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731014905	BZOXDYFIYCDQDS-UHFFFAOYSA-N	407.558	3.597	10	20	HHCD	
CCCOc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731131923	OWKZUUOZVXOLRU-UHFFFAOYSA-N	409.530	3.967	10	20	HHCD	
CCC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)C1	731885322	NQBBQABVJBDYNN-HXUWFJFHSA-N	423.557	3.943	10	20	HHCD	
Cc1cc(Br)ccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1	732242873	PPMUCWQEBOROFF-UHFFFAOYSA-N	418.335	3.594	10	20	HHCD	
COc1ccc(CN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)C2CC2)cc1	732474666	SNZCYGWWUFIEDB-UHFFFAOYSA-N	424.541	3.600	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1(c2cccc(Cl)c2)CC1	741079898	RVUJVDBFCKHPTH-UHFFFAOYSA-N	403.885	3.804	10	20	HHCD	
COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(OC)c1	742797821	HIUXJLSVBGIEPG-CQSZACIVSA-N	406.429	3.704	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C	742805044	FAZUDRKQMONRNR-QGZVFWFLSA-N	417.456	3.954	10	20	HHCD	
O=C(NCc1ccccc1O)c1nn(-c2cccc(Br)c2)c2c1CCC2	743327782	PYAIIAFMEDUFMN-UHFFFAOYSA-N	412.287	3.759	10	20	HHCD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	743647782	UFNSJDCJSCYSGJ-OTWHNJEPSA-N	423.504	3.760	10	20	HHCD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	744014406	OAEVRNNGINDFPY-OCCSQVGLSA-N	420.351	3.890	10	20	HHCD	
Cc1cc(C(=O)OC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C)n1-c1ccccn1	744228479	NZKQHYXXIMHFFS-HXUWFJFHSA-N	403.482	3.695	10	20	HHCD	
CCCCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C	748970492	NRYBPKGFBABADP-NHCUHLMSSA-N	403.567	3.648	10	20	HHCD	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccc(N(CC)CC)cc1	750626814	ACYJLQJNICVVFR-UHFFFAOYSA-N	412.534	3.955	10	20	HHCD	
CCO[C@H](C)c1nc(CN2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)cs1	750826523	NQVZPPUDBCPVSV-OAHLLOKOSA-N	421.538	3.606	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1	751274830	JYWJEVOIBDFPCK-LJQANCHMSA-N	406.530	3.579	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1F	753862340	XWKZJKLBZSLYQZ-UHFFFAOYSA-N	411.399	3.614	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](COCC(C)C)c3ccco3)CC2)cc1F	753890259	FHDDQOUXVHVAJG-LJQANCHMSA-N	419.497	3.673	10	20	HHCD	
CC(C)[C@@H](CN[C@H](C)c1cc(Br)cc(Cl)c1O)N1CCN(C)CC1	756399483	QATAHWCHLYNULH-CXAGYDPISA-N	418.807	3.731	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1Cl	757485250	FWQAPZVEZSHQGF-UHFFFAOYSA-N	424.950	3.792	10	20	HHCD	
COc1cc(OC)cc([C@H](NCc2cc(Cl)cc(OC)c2O)c2nccn2C)c1	761215379	KZGHGOAZKHUFQP-IBGZPJMESA-N	417.893	3.684	10	20	HHCD	
C[C@H](NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)c(F)c1	765312310	CVYZNZXEQNOMPV-ROUUACIJSA-N	401.501	3.979	10	20	HHCD	
O=C(NC1CC(OCc2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	768445909	AGTFRVNJHGISQN-ATKRNPRHSA-N	410.514	3.831	10	20	HHCD	
COc1cc(Br)cc(CN2CCN(c3nc(C)c(C)s3)CC2)c1O	769497919	HQXOUHSDLYXJIQ-UHFFFAOYSA-N	412.353	3.559	10	20	HHCD	
Cc1csc(Nc2cccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)c2)n1	769722005	HUIOZGNYERRQPE-UHFFFAOYSA-N	418.500	3.525	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	770721919	BTWYQSNIHTZCJG-QGZVFWFLSA-N	413.468	3.624	10	20	HHCD	
CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2C1	773845342	HMVOMKXIWUPGCM-MSOLQXFVSA-N	422.573	3.929	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1	774125523	BHJBVZULHMCBIZ-UHFFFAOYSA-N	415.444	3.554	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN[C@H](C)c2cc(OC)ccc2O)sc(C)c1C	775361729	CXHAYMCGXNMQEO-GFCCVEGCSA-N	406.504	3.545	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(Cl)cc3)C3CCC3)nc12	775378935	NSYJEXAVVGCGPB-IBGZPJMESA-N	414.893	3.896	10	20	HHCD	
COc1cc(NC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(OC)c1	775390064	BMPJLBGMAHHRPR-INIZCTEOSA-N	419.909	3.849	10	20	HHCD	
Cn1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1-c1ccccc1	775543748	XSCNWCXLPMUVBQ-IBGZPJMESA-N	424.932	3.841	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1sccc1Br	777828977	RMMZFODLLZKPPH-UHFFFAOYSA-N	418.696	3.685	10	20	HHCD	
OCC1CCN(c2ccc(CNCc3cnn(Cc4ccc(F)cc4)c3)cc2)CC1	780511980	UPGACBFKNZSALZ-UHFFFAOYSA-N	408.521	3.569	10	20	HHCD	
CCn1nc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1C1CC1	782895866	GWASBKBTQOCTPU-UHFFFAOYSA-N	410.518	3.786	10	20	HHCD	
CCOc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1OC	783315766	INVQIPSEMONJAQ-UHFFFAOYSA-N	413.518	3.536	10	20	HHCD	
CCOC(=O)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1	784108246	LGEQMBHFJLCEKW-UHFFFAOYSA-N	409.486	3.607	10	20	HHCD	
O=C(NCc1ccccc1O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1	786735401	YZZHESAZDDFAPM-OAQYLSRUSA-N	404.466	3.719	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(OC)cc3OCC3CC3)CC2)cc1	788173021	RSKWLLVFVWGGQR-UHFFFAOYSA-N	410.514	3.845	10	20	HHCD	
O=C(c1c(F)ccc(O)c1O)N1CCN(C(c2ccccc2)c2ccccc2)CC1	790065424	NPDXIIPITZACMJ-UHFFFAOYSA-N	406.457	3.784	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccnn3C(C)(C)C)cc2F)C[C@@H](C)O1	792388811	NLLZWPYPIGFWGF-HUUCEWRRSA-N	403.502	3.713	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(O)c1	797612612	FTKDRVRDMMGRTN-IYBDPMFKSA-N	411.502	3.841	10	20	HHCD	
CNS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1	798268232	HLRWGBLQVRQPDK-UHFFFAOYSA-N	412.515	3.531	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](N4CCCC4)C3)cc2Cl)C1	800720547	UOJVRMKIJBETQT-PKOBYXMFSA-N	404.986	3.956	10	20	HHCD	
Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	805884144	MGHRAWATVITLNM-QHCPKHFHSA-N	405.542	3.891	10	20	HHCD	
CCCCC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C	806321415	DZFJPQGBJAMAJG-OAQYLSRUSA-N	417.594	3.593	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(C)cc(I)c2)c(O)c1	806684570	WOJXBYFXZPXTTQ-UHFFFAOYSA-N	412.227	3.636	10	20	HHCD	
CC(C)(C)OC(=O)NCCCN(Cc1cc2c(cc1O)OC[C@H]2O)CC1CCCC1	808195915	LUVDYATWHQISCM-HXUWFJFHSA-N	420.550	3.725	10	20	HHCD	
Cc1cnc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)nc1	808500442	MKYGQVLSJKYYFY-RIYZIHGNSA-N	419.553	3.571	10	20	HHCD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCc1ccc(N2CCOCC2)cc1	809718526	VCEIEJQWDNSODE-OPYAIIAOSA-N	403.567	3.647	10	20	HHCD	
COCc1cc(Cl)cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	810042792	JWSOBJJWVHIYQL-UHFFFAOYSA-N	408.951	3.906	10	20	HHCD	
C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](O)c1ccccc1	812024756	RQLORGSTNYSCDT-FOIQADDNSA-N	419.472	3.678	10	20	HHCD	
COCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccccc1O	812087248	RVEAFUGMVPHPSV-UHFFFAOYSA-N	404.417	3.535	10	20	HHCD	
CCOC1(C)CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	813623383	XYWYXOSUDSJDEV-UHFFFAOYSA-N	411.493	3.857	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)Cc3cccc(C)c3C)cc2F)CC1	813632885	OEUIOHGQDUDXGR-UHFFFAOYSA-N	412.553	3.926	10	20	HHCD	
Cc1cc(C(=O)N2CCOCC2)ccc1NCc1c(O)cccc1Br	864040271	JIEJJSBPJDSANO-UHFFFAOYSA-N	405.292	3.548	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1	915147337	AOCLMFMBQOLJCC-OALUTQOASA-N	410.562	3.812	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cn2)n1	916679975	BROKUHOIOHHGBN-HXUWFJFHSA-N	421.501	3.803	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCCC2)c(F)c1	916713781	MYODDPVFDZTNAC-UHFFFAOYSA-N	412.509	3.926	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=S)NCCc3ccccc3)cc2F)C[C@H](C)O1	917580571	BOXDBUCQVXQIMM-IRXDYDNUSA-N	401.551	3.646	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H](C)COCc3ccccc3)CC2)cc1	919798380	BOUFZYOSKHSWOX-HXUWFJFHSA-N	411.546	3.770	10	20	HHCD	
CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	920231642	JSNDZGAZQDUITM-SFHVURJKSA-N	401.492	3.648	10	20	HHCD	
Cc1cc(C(=O)CSc2nc(N)nc(N)n2)c(C)n1-c1ccc(Cl)c(Cl)c1	920411460	UKIPINSBWXLMNH-UHFFFAOYSA-N	423.329	3.725	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(c2ccccc2)CC1	1320142952	ONNWRVGMPXFNKQ-MHJFOBGBSA-N	411.498	3.662	10	20	HHCD	
OC[C@@H](CNCc1ccc(N2CCCC2)cc1)Cc1ccccc1Br	1339026991	BHFZZQNRPOOKAO-GOSISDBHSA-N	403.364	3.990	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCc2nc(Cc3ccccc3)no2)cc1	1521770173	LFYCIIMOJYXCFY-UHFFFAOYSA-N	421.545	3.891	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)/C=C/C2CCCCC2)C1	1845196631	MHNWMJHNTVFUCC-BQYQJAHWSA-N	418.921	3.705	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CCCS2)C3)cc1	1845399513	GYFKGPHAYOQNDK-NRFANRHFSA-N	423.582	3.807	10	20	HHCD	
C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1	109189710	FPFSBROXKXSSOX-QGZVFWFLSA-N	412.490	3.501	10	20	HHCD	
Cc1cc(C(=O)NCC2CCN(C)CC2)c(C)n1-c1ccc(Br)cc1	116514763	ASYDOIQOFVEIOX-UHFFFAOYSA-N	404.352	3.928	10	20	HHCD	
Cc1nc(-c2ccc(NCc3ccc(N4CCC(O)CC4)c(F)c3)nc2)nc(O)c1C	301364635	NFUQXBWIERXFLT-UHFFFAOYSA-N	423.492	3.573	10	20	HHCD	
CC(=O)N(c1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cs1)C1CC1	303575760	COHJEFDKOVPNMJ-IBGZPJMESA-N	401.532	3.545	10	20	HHCD	
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C2)c1	437008352	QHLXAUUIYFYXOM-IBGZPJMESA-N	421.541	3.647	10	20	HHCD	
COc1cccc(OC)c1Oc1ccc(CNCc2cc3c(cc2O)OCO3)cn1	725846892	QNBYBBDFNLOWSA-UHFFFAOYSA-N	410.426	3.615	10	20	HHCD	
CCOCc1cc(/C=C2/SC(=S)N(c3cnn(CC)c3)C2=O)ccc1OC	726196930	HDUWZQGTOLABMU-RQZCQDPDSA-N	403.529	3.854	10	20	HHCD	
O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726611536	RCYQMGQHNWESAS-UHFFFAOYSA-N	420.416	3.664	10	20	HHCD	
COc1cccc(OC)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726625504	IVCDIOXOCAWICG-UHFFFAOYSA-N	406.429	3.704	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N(CC3CC3)C3CCCCC3)CC2)cc1	727941396	VVLZNCMNRLKVGL-UHFFFAOYSA-N	414.594	3.572	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCOc2cccc(Br)c2)c1	728947148	ODCXFIJCWXIGLN-GFCCVEGCSA-N	409.280	3.603	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)CCCc3ccccc3)cc2F)CC1	730133207	LTNVHVMMDHOFKI-UHFFFAOYSA-N	412.553	3.742	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3nnc(Cc4ccccc4F)s3)ccc21	731117088	SFCZEXZFHBZGOF-UHFFFAOYSA-N	411.506	3.972	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCCSc3nccs3)C2)cc1	733973010	CZOMDYNMONJREH-QGZVFWFLSA-N	403.573	3.602	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(Cl)ccc1N1CCOCC1	734642658	OVSAITXRRAKLTK-UHFFFAOYSA-N	402.926	3.873	10	20	HHCD	
COc1ccc(N2CCCN([C@@H]3CCCN(c4cc(C)ccc4F)C3=O)CC2)cc1	735671619	VXXOXEOVFIXIIH-JOCHJYFZSA-N	411.521	3.850	10	20	HHCD	
CCOC(=O)c1cnc2nc(C)ccc2c1NCc1ccc(N2CCOCC2)c(F)c1	736285060	CYGYAWDGFHQPQU-UHFFFAOYSA-N	424.476	3.703	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1	738300379	WEBFOJPJPIZIPR-QHCPKHFHSA-N	413.537	3.704	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1	741070437	FZBRKLVTTKYQTK-UHFFFAOYSA-N	424.954	3.879	10	20	HHCD	
COc1ccc(O)c(CNc2ncnc3ccc(I)cc23)c1	742405443	HHKCMVNMWAMIBY-UHFFFAOYSA-N	407.211	3.561	10	20	HHCD	
CCOC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	742758591	BHAOPQVHVRJKII-LJQANCHMSA-N	416.566	3.876	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(=O)NCc1ccccc1	742760763	RHEJPAGRXVWEPO-IBGZPJMESA-N	422.573	3.960	10	20	HHCD	
CN(C)c1ccc(N2CCC(NC(=O)NCc3c(O)ccc4c3CCCC4)CC2)cc1	745869307	MXEHSIZXKXHQSL-UHFFFAOYSA-N	422.573	3.805	10	20	HHCD	
COc1ccc(C(C)(C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	746217545	DGKIQVDNQUVYRZ-SFHVURJKSA-N	411.546	3.870	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nc([C@@H](C)OC)no1	747804492	KEWPOWJSGNTREO-GFCCVEGCSA-N	402.476	3.724	10	20	HHCD	
Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2O)c1	748354238	XHTPZQGVEYUWKU-UHFFFAOYSA-N	414.458	3.571	10	20	HHCD	
Cc1cc(CC(=O)O[C@@H](C)C(=O)NCC(F)(F)F)c(C)n1-c1ccc(Cl)cc1	749986027	UAMBXYYUUHTEAG-ZDUSSCGKSA-N	416.827	3.900	10	20	HHCD	
Cc1ccc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)c(O)c1O	751535186	NLHKFIWKDKFIPI-UHFFFAOYSA-N	420.303	3.647	10	20	HHCD	
CC(C)Nc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1	752793424	IYFKCYDEGMCAPY-HOTGVXAUSA-N	400.498	3.585	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1	754074304	HTCHASCFHMMKNA-QFIPXVFZSA-N	421.497	3.751	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(F)c(F)c(O)c1F	755226831	IAECFIWEQPMLPF-UHFFFAOYSA-N	416.346	3.810	10	20	HHCD	
COCCCOc1cc(C)ccc1CNC(=O)NCc1ccc(N(C)C)c(F)c1	755238014	IDYDZJPDFDFXGW-UHFFFAOYSA-N	403.498	3.615	10	20	HHCD	
O=C(N[C@@H]1CCN(c2ncccc2F)C1)N(Cc1ccco1)Cc1ccccc1O	756156542	SSHCHENWRRFTMA-QGZVFWFLSA-N	410.449	3.510	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(C)c1Br	756176974	TWNQBSDVCLKPAE-CQSZACIVSA-N	418.335	3.948	10	20	HHCD	
COC(=O)CN(CC(=O)Nc1c(C)cccc1Cl)Cc1cc(Cl)ccc1O	757096744	URYZZDUYHFWEPQ-UHFFFAOYSA-N	411.285	3.621	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(Br)cc(F)c1O	757638692	MXVZHVGSZQWFLN-SUMWQHHRSA-N	423.326	3.711	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	758002343	GYBYRPDCFZUCIP-KFWWJZLASA-N	402.514	3.589	10	20	HHCD	
COCCc1noc(CN(C)CC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)n1	758802803	FCGCEGIPVNOUMI-UHFFFAOYSA-N	410.518	3.598	10	20	HHCD	
CC(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C	758962639	IBRAPQHWLKUSAN-UHFFFAOYSA-N	407.514	3.785	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1nn(-c2ccccc2)c2c1CCC2	759566287	BAFSUROUYQVMDK-UHFFFAOYSA-N	413.572	3.799	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1scnc1C1CCCC1	759908559	DHVBJKIHYIFIRH-UHFFFAOYSA-N	403.523	3.831	10	20	HHCD	
COc1cc(Cl)cc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1O	761198152	MZNRWZIYBAEBRC-GJZGRUSLSA-N	418.921	3.593	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(-c2nc([C@H]3CCCS3)no2)c1)c1cccs1	762230731	KUQXQNCJTXASTL-CYBMUJFWSA-N	409.514	3.873	10	20	HHCD	
CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C12CCC2	764357355	UDRVRXCTSWQIIM-DUXKGJEZSA-N	401.551	3.573	10	20	HHCD	
O=C1/C(=C/c2ccc(OCCN3CCCC3)cc2)SC(=S)N1Cc1ccon1	764411066	GBQOOQXHWLJXRS-AQTBWJFISA-N	415.540	3.551	10	20	HHCD	
COc1cc([C@H](C)NCc2ccc(N3CCSCC3)cc2)ccc1S(C)(=O)=O	765077375	BYDPDIYKFOZEKL-INIZCTEOSA-N	420.600	3.503	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2Cl)cc1	765634663	GQVUOSSPXKOEGR-UHFFFAOYSA-N	402.925	3.601	10	20	HHCD	
C[C@H](N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)cc1Cl	766031023	ICMXVSLJPGANAF-WMZOPIPTSA-N	413.949	3.912	10	20	HHCD	
CN1CCN(c2ccc(CNCc3cc4cc(Br)ccc4[nH]3)cc2)CC1	767189460	OBBNFUNLTAGHBE-UHFFFAOYSA-N	413.363	3.972	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1C(F)(F)F	767883319	HMLFCIJYJYDSAL-UHFFFAOYSA-N	400.347	3.750	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(I)cc(C)c2C)c1O	767944272	CXRMFJGUBJLGAZ-UHFFFAOYSA-N	411.239	3.552	10	20	HHCD	
Cc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1NC(=O)CCN(C)C	768578246	FIGLXDZREOGLAP-UHFFFAOYSA-N	419.529	3.940	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1c(C)cccc1C	769293719	ZTWONLWBHMEMBJ-UHFFFAOYSA-N	405.292	3.759	10	20	HHCD	
O=C(NCc1ccccc1O)c1ccccc1SCc1nnnn1-c1ccccc1	769363555	UEHAMYNQMGQRBC-UHFFFAOYSA-N	417.494	3.590	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@@H]2C)c1	769542583	GWJDFWPZIJYKKW-ZLGUVYLKSA-N	422.525	3.801	10	20	HHCD	
CC(C)(C)OC(=O)C1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1	769727672	NSPDPLPYEOZWDK-UHFFFAOYSA-N	402.535	3.971	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C)[C@H](C)[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	771459790	LPMRLRSVHHFNHT-CVEARBPZSA-N	405.489	3.903	10	20	HHCD	
C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1	774486204	XSJTYUFEHORIFR-WOJBJXKFSA-N	408.590	3.573	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1	775174844	UQWYCHOBFSXYIX-OWIVYFSNSA-N	422.250	3.613	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCOCC2)nc1)c1cc(Br)ccc1O	775487685	NLRPSHKNLPRXOT-QGZVFWFLSA-N	406.324	3.627	10	20	HHCD	
CN1CCN(c2ccc(CN3CCCC[C@@H]3CNC(=O)Nc3ccccc3)cc2)CC1	775653460	GZQPKWJVPIBVET-XMMPIXPASA-N	421.589	3.615	10	20	HHCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	778456253	NOHCYQUIPRBUKD-MJGOQNOKSA-N	404.894	3.540	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1F	780429009	IICGWHMAUKHQQH-DNVCBOLYSA-N	419.463	3.955	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)ccc3OC(F)F)c2)CC1	781271501	YHPNSSDDSVWHAR-UHFFFAOYSA-N	423.847	3.862	10	20	HHCD	
CCn1nc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1C	783485766	KTUWRRJTOSXLME-INIZCTEOSA-N	405.502	3.835	10	20	HHCD	
Cc1nnc(-c2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2)o1	784107233	RAERZIIYCKAEHN-UHFFFAOYSA-N	419.485	3.789	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	784108770	LRJJWTJKMQLBSX-UHFFFAOYSA-N	416.865	3.992	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(-c2ccco2)cc1F	787498488	LMALJUYOMCYPNK-UHFFFAOYSA-N	405.429	3.717	10	20	HHCD	
COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788931234	ZFGKOCJDNGZHIG-JOCHJYFZSA-N	423.557	3.815	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1	792702913	ISWRGEVLGCPNPJ-UHFFFAOYSA-N	407.391	3.632	10	20	HHCD	
Cc1c(NCc2ccc(N(C)C)cc2C(F)(F)F)cccc1N1C(=O)CNC1=O	793350617	CKJIKYVNCMVRTC-UHFFFAOYSA-N	406.408	3.748	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)c(O)c1	794379518	OOOZOFVFNNEMRC-UHFFFAOYSA-N	401.875	3.925	10	20	HHCD	
CCc1nc(C(=O)NCc2ccc(OC)cc2O)nn1-c1c(Cl)cccc1Cl	794380490	FBFPOIXWHZHOPI-UHFFFAOYSA-N	421.284	3.781	10	20	HHCD	
CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2CCOCC2)cc1C(F)(F)F	795070905	OLWQCCZGQAWRIT-UHFFFAOYSA-N	413.400	3.587	10	20	HHCD	
COc1cc(C)c(Br)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	797645825	UWWPOPITRJOHMR-LLVKDONJSA-N	409.280	3.930	10	20	HHCD	
CCc1[nH]c2ccccc2c(=NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c1C	798397612	JASPEGDXLPTKRI-UHFFFAOYSA-N	402.542	3.808	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	801549848	DAOPZVMMTYUSDV-UHFFFAOYSA-N	401.419	3.970	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC1CCOCC1	802477883	ZZMVZJDCQIBJOB-UHFFFAOYSA-N	423.561	3.862	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2F)C2CCCC2)cc1F	803663711	XTNPRFSXKRSUKX-NRFANRHFSA-N	415.484	3.695	10	20	HHCD	
C[C@@H]1CC[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C[C@H]1C	806926859	VPZPNVWKODUDAF-GGPKGHCWSA-N	411.546	3.815	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21	807689015	CCELIFGYFXRSLN-SFHVURJKSA-N	414.477	3.689	10	20	HHCD	
COc1ccc(-n2c(SCC(=O)C(C)=O)nnc2-c2ccc(Cl)cc2)cc1	808014909	YCQGQWKFQCWZBU-UHFFFAOYSA-N	401.875	3.847	10	20	HHCD	
C[C@@H]1CN(C)CC[C@H]1N(C)Cc1cc(Br)cc(Br)c1O	809765021	KNKQKXFMKJYXGP-QMTHXVAHSA-N	406.162	3.689	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(Br)cc(C(=O)OC)c1	812492220	BKKUKZQESZETBX-UHFFFAOYSA-N	406.276	3.994	10	20	HHCD	
CS(=O)(=O)C[C@@H]1CCCN(Cc2c(O)ccc3cc(Br)ccc23)C1	917463140	PPESEUOPNCADJA-CYBMUJFWSA-N	412.349	3.565	10	20	HHCD	
CCN(C[C@@H]1CCOC1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	920749963	VTOKZZOKRQPBGB-HNDQUVLASA-N	424.613	3.615	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1	920868023	ZYJSUCIVEYOEER-HZPDHXFCSA-N	417.937	3.863	10	20	HHCD	
CN(C)[C@@H]1CCCC[C@@H]1NCc1cc(Br)cc(Br)c1O	1116476102	KREUJSGNJQOZAR-UONOGXRCSA-N	406.162	3.880	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(OCC(F)(F)F)n2)c(C)n1-c1ccccn1	1116846929	SZAUVRHXRJRKIE-UHFFFAOYSA-N	404.392	3.755	10	20	HHCD	
Cc1cnn(CC2CC2)c1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1318767858	QMWGUAPVJGJIIQ-MRXNPFEDSA-N	419.476	3.993	10	20	HHCD	
O=C(NC1CCC2(CCOCC2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	1340110616	UOIYQGQSSWSPHH-FQEVSTJZSA-N	402.535	3.822	10	20	HHCD	
CCN(CC)CCN(C(=O)/C=C/c1cnn(C)c1)c1cccc(Br)c1	108698495	BPHKPJBPIFAOCD-MDZDMXLPSA-N	405.340	3.571	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C	116534101	DEPDHJNYASIKIS-UHFFFAOYSA-N	418.559	3.784	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1	303936932	RVFADWNISJVJEG-UHFFFAOYSA-N	421.570	3.777	10	20	HHCD	
Cc1c(CNC(=O)c2ccc(Br)cc2-n2cncn2)n(C)c2ccccc12	471225383	BLLWLWIISMTIJC-UHFFFAOYSA-N	424.302	3.760	10	20	HHCD	
CNC(=O)c1ccc(OC)c(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1	482787003	IVBBPHDYGMILOS-UHFFFAOYSA-N	409.486	3.525	10	20	HHCD	
CC(=O)NCCN(Cc1ccc(C)s1)C(=O)NCc1c(C)c2ccccc2n1C	511973232	WLTWZPGERRICOD-UHFFFAOYSA-N	412.559	3.705	10	20	HHCD	
O=C(Nc1ccccc1NS(=O)(=O)c1cccc2nsnc12)c1cccs1	523287128	KPYUMBBXRKGEJS-UHFFFAOYSA-N	416.509	3.806	10	20	HHCD	
Cc1cc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)c(C)n1-c1ccccn1	726808903	OROCOBIDTHFECG-UHFFFAOYSA-N	418.409	3.625	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(Cc1ccccc1F)C1CC1	727600606	HFSPWTAVCXDKOC-UHFFFAOYSA-N	415.484	3.800	10	20	HHCD	
COCCOc1cccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1	727863775	JFBBNXKPPXLZJU-QGOAFFKASA-N	400.525	3.551	10	20	HHCD	
C[C@@H](NC(=O)NCCCc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)cc1	730826141	ZQAXHDUGHNRYKB-GOSISDBHSA-N	406.530	3.998	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	731281215	ZZYDMRVUBJTFSW-UHFFFAOYSA-N	415.509	3.614	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@H]1CCCCN1C(=O)OCc1ccccc1	733973563	PGJOGPVULZBKIE-QGZVFWFLSA-N	419.572	3.933	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)c1	734016981	UGPIFRVYGUCQIA-UHFFFAOYSA-N	403.841	3.677	10	20	HHCD	
COc1cccc(CN(C[C@@H]2CCCO2)C(=O)NCc2ccc(N(C)C)cc2C)c1	734687192	NEYIVDAOHVSWRX-QHCPKHFHSA-N	411.546	3.960	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCCn2ccccc2=O)cc1	735050038	FVYRCZYYLZVZRG-UHFFFAOYSA-N	419.525	3.937	10	20	HHCD	
Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1cccc(N2CCCCC2)c1	741548967	LHARLXGXPNDPIC-UHFFFAOYSA-N	413.543	3.778	10	20	HHCD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742807302	ZKUIFRHCKIYFHS-QUVLDCBQSA-N	417.412	3.995	10	20	HHCD	
COc1c(Cl)cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl	743957792	AKWXPMCPQPWTTM-UHFFFAOYSA-N	423.296	3.841	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCC2(CCOCC2)C1	745798638	AABCRTPDWHWZMU-UHFFFAOYSA-N	423.504	3.859	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccccc2CN(C)Cc2ccco2)c1	745820977	TUJVQECWQJFNEB-UHFFFAOYSA-N	409.486	3.625	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)C2CC2)cc1	745891876	HMKUNGWWMKPNPT-UHFFFAOYSA-N	421.520	3.994	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](N2CCCC2)C1	745906127	WUXIFHPCEVCOIT-PKOBYXMFSA-N	422.520	3.527	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3ccc(OC)c(OC)c3)CC2)cc1	746046374	YIMBXDWZAIOQBX-IBGZPJMESA-N	413.562	3.575	10	20	HHCD	
COc1cc(CCNC(=O)COc2ccc(N3CCCC3)cc2)ccc1OC(F)F	749796010	QJSNVNSSUQUDSL-UHFFFAOYSA-N	420.456	3.635	10	20	HHCD	
Cc1ccccc1CC(=O)N1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1	749854380	ISAWPCJSFIPZQM-UHFFFAOYSA-N	421.566	3.991	10	20	HHCD	
O=C(Cc1cc(F)cc2c1OCOC2)Nc1c(-c2ccccn2)nc2ccccn12	751299001	GINCPVMSZICKIV-UHFFFAOYSA-N	404.401	3.583	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CC(=O)N(C2CCCCC2)C1	751300320	VYWAZUMMZSBSOL-INIZCTEOSA-N	403.486	3.516	10	20	HHCD	
C[C@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1cc(Cl)ccc1O	756434466	NROOLUGIULXORP-INIZCTEOSA-N	417.937	3.557	10	20	HHCD	
C[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(Cl)c(Cl)c1O	756531980	BZBGOZMPOLWOFE-CYBMUJFWSA-N	410.345	3.841	10	20	HHCD	
C[C@H](NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(F)cc1O	756774060	FJCQXUKUBYPBNZ-NSHDSACASA-N	407.385	3.554	10	20	HHCD	
O=S(=O)(c1cccc(F)c1)N(CCCNCc1cc(Cl)ccc1O)C1CC1	756991203	YRWWOWCROUAYKN-UHFFFAOYSA-N	412.914	3.518	10	20	HHCD	
CC(=O)N1CC[C@@H](COC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1	758567839	OYIJFQLFLAYFEZ-MRXNPFEDSA-N	419.319	3.882	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H](C)CCCC(C)C)CC2)cc(OC)c1OC	759215449	FABAATHUIJMBLA-KRWDZBQOSA-N	407.555	3.759	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccn([C@@H](C)c4ccccc4)n3)CC2)cc1	760081153	VGVUVSFNQDPJKZ-SFHVURJKSA-N	405.502	3.855	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4cc[nH]n4)s3)cc2F)C[C@@H](C)O1	761578022	UDQZWIYKBICKTB-OKILXGFUSA-N	414.506	3.821	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccncc3C(F)(F)F)cc2F)C[C@@H](C)O1	764383706	VKQFUXPNYNYBNI-CHWSQXEVSA-N	411.399	3.783	10	20	HHCD	
C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(N2CCCCCC2)cc1	765332571	RGZZPGRFWPMAHC-OFNKIYASSA-N	403.636	3.926	10	20	HHCD	
C[C@H](NC[C@@H](C)N1CCc2sccc2C1)c1ccc(N2CCOCC2)c(F)c1	765376803	PBWPNHJTKZRRPT-SJORKVTESA-N	403.567	3.821	10	20	HHCD	
C[C@@H](NC[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	765699793	FXPZGPVMHVPLHS-IRLDBZIGSA-N	411.565	3.878	10	20	HHCD	
C[C@@H](NCCCCN1CCN(c2ncccn2)CC1)c1ccc(N2CCCCC2)cc1	765729990	CBSUBFIJZOVIJP-JOCHJYFZSA-N	422.621	3.720	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc4[nH]ccc4c3)cc2F)C[C@@H](C)O1	768161363	HNKVPVZDOWMJBJ-HZPDHXFCSA-N	411.477	3.616	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	768916476	RHHIONPHRSBDGN-GOSISDBHSA-N	417.893	3.618	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2ccc(C(N)=O)nc2)cc1	772165910	GUWAGOPMXNTXBP-UHFFFAOYSA-N	402.458	3.592	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccc(N(C)C)cc1	772410058	WJPUJDWHYLICAW-SOLBZPMBSA-N	404.555	3.901	10	20	HHCD	
CC[C@H](C)[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F	772536289	GTONAVSVDUIWGC-YVEFUNNKSA-N	405.436	3.563	10	20	HHCD	
C[C@H](CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)CN1CCN(C)CC1	772691551	AGIDGGQBSODZMZ-LJQANCHMSA-N	422.577	3.781	10	20	HHCD	
C[C@@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(N2CCCCCC2)cc1	773041067	GRCBDPNKOPXFTJ-GOSISDBHSA-N	405.608	3.674	10	20	HHCD	
Cc1ccc(CN(C(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)cc1	775256947	AWRWCOKTFJZJFJ-HXUWFJFHSA-N	407.558	3.673	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(N(C)C)cc1	776244793	FXIPGTCWDRYFFU-CYBMUJFWSA-N	421.444	3.985	10	20	HHCD	
CCOc1cc(Cl)ccc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	778778027	GLKXOIHUOUNOEP-UHFFFAOYSA-N	401.894	3.693	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	779517387	QCRGIHHMAIZPAK-RLXIPRIJSA-N	404.869	3.684	10	20	HHCD	
CC(=O)Nc1ccc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	780524477	PIGYIHYXXSZMBK-QFIPXVFZSA-N	409.530	3.841	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1[C@H](C)C1CC1	783318319	WXMLYSMYEVYHOR-QGZVFWFLSA-N	411.550	3.604	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	784267374	ZACHNCUXIUMAGE-VQIMIIECSA-N	424.463	3.633	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(N4CCNC4=O)ccc3C)ccc21	785459426	QXJKJBHKSOZBNU-UHFFFAOYSA-N	420.513	3.995	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](c3ccccc3)C(C)C)cc2)CC1	786261384	CWFINQJWEPFEOS-XMMPIXPASA-N	407.558	3.801	10	20	HHCD	
Cc1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1-c1ccc(F)cc1	787593864	UNVWNMPINGEMDE-UHFFFAOYSA-N	411.437	3.815	10	20	HHCD	
CC[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)sc2C1	789743516	HXVCVAOHDKZMIR-KBPBESRZSA-N	400.548	3.540	10	20	HHCD	
Cc1nn[nH]c1C(=O)O[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	791044575	MDICKGLCVDYJHN-ZDUSSCGKSA-N	418.400	3.550	10	20	HHCD	
CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	792493466	JWSHINUIPJIKDZ-UHFFFAOYSA-N	422.934	3.611	10	20	HHCD	
COC(=O)[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc2c(c1)CCO2	793097275	GKHFNCLXGNBKEK-IBGZPJMESA-N	408.420	3.710	10	20	HHCD	
Cc1nc2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc2n1C	793293154	ISZFRHJYAGPFQG-OAQYLSRUSA-N	406.530	3.769	10	20	HHCD	
O=C(Nc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)nc1)c1ccccc1	793336409	KUXDKQYNCMOTRD-UHFFFAOYSA-N	406.461	3.922	10	20	HHCD	
CC[C@H]1NC(=O)N(c2cccc(NC3CCN(c4ccc(OC)cc4)CC3)c2)C1=O	793347120	NEOZFMDQGOOWPF-OAQYLSRUSA-N	408.502	3.611	10	20	HHCD	
CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1	795786699	NQRINCUHDULJFC-KRWDZBQOSA-N	413.946	3.694	10	20	HHCD	
CC(=O)N1CCC(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	799920075	AEIHSDNJJCPOQC-INIZCTEOSA-N	420.985	3.634	10	20	HHCD	
CSCC[C@H]1NC(=S)N(Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1=O	800722494	XVJBMWIOTVTZLX-CZUORRHYSA-N	412.024	3.915	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1Cl	803663365	XESBOTIGVWXZKO-LJQANCHMSA-N	405.901	3.675	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@@H](C(C)C)CC3)CC2)cc1	804318134	AJQCXABCHZAWPM-RTBURBONSA-N	415.578	3.501	10	20	HHCD	
O=C(NC[C@H]1CCc2ccccc21)C(=O)N(Cc1ccccc1O)C1CCCCC1	805962870	XHVSCQMLTFJBNM-LJQANCHMSA-N	406.526	3.900	10	20	HHCD	
O=C(NCCCSc1nccs1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21	806958460	IJXVHPSMGVTTBT-FGTMMUONSA-N	403.573	3.839	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1	807103702	VEWUCCSGLPFEHY-LJQANCHMSA-N	422.554	3.651	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3	808012965	KDELTKDJLLPGOH-UHFFFAOYSA-N	412.536	3.635	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(S(=O)(=O)C2CCCCC2)c1	817477514	LDKIUIVDAGGBAU-BENRWUELSA-N	401.484	3.856	10	20	HHCD	
COc1ccc(-n2nnc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2C)cc1	915061425	ZVGIJKKHVXCTLH-UHFFFAOYSA-N	419.529	3.847	10	20	HHCD	
Cc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)sc1C(=O)O	915358013	WCNFUBIEQPGFGS-UHFFFAOYSA-N	408.545	3.566	10	20	HHCD	
CCCOC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	915694151	SYEQMMPUDLYECM-UHFFFAOYSA-N	411.502	3.754	10	20	HHCD	
Oc1ccccc1CN(C[C@@H](O)COc1ccc2ccccc2c1)C[C@H]1CCCO1	916633379	ZWSCGLWJSOZUPW-ISKFKSNPSA-N	407.510	3.966	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c(C)n1-c1ccccn1	917134470	UNEYFKMRTCLWPI-UHFFFAOYSA-N	402.454	3.785	10	20	HHCD	
O=C(NCC(F)(F)F)C1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1	917427257	APNQETAGYPJYML-UHFFFAOYSA-N	410.436	3.908	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1	918209419	KGXZPXCWMUGGKW-UHFFFAOYSA-N	412.965	3.968	10	20	HHCD	
O=C(Cc1ccc(Br)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	919968741	UWZREBNWDWHAEN-UHFFFAOYSA-N	417.347	3.517	10	20	HHCD	
CN(c1ccc(CNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1)C1CCCCC1	1318121745	CQILOKQZVDBATH-UHFFFAOYSA-N	414.937	3.550	10	20	HHCD	
Cc1cc(-c2nnc(CS[C@@H]3CCS(=O)(=O)C3)o2)c(C)n1-c1ccccc1	1322094247	UYMVACXCWOMERN-MRXNPFEDSA-N	403.529	3.564	10	20	HHCD	
COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)CC1=O	1342949436	BXVIIFBYTPFKDC-VIFPVBQESA-N	421.240	3.530	10	20	HHCD	
Cc1ccc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(F)c1	10876211	FNCNDKFRAIALMF-UHFFFAOYSA-N	417.392	3.705	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCNC(=O)c2cccs2)c(C)n1-c1ccccc1	21537729	MPZANYKUTYIMCK-UHFFFAOYSA-N	410.495	3.702	10	20	HHCD	
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1	47192306	XDPXNLPFZKUKBA-UHFFFAOYSA-N	401.532	3.570	10	20	HHCD	
COC(=O)COc1c(C)cc(CNCc2ccc(N3CCSCC3)cc2)cc1C	63915227	WRVLWJAEWZXVRZ-UHFFFAOYSA-N	414.571	3.698	10	20	HHCD	
N#Cc1ccc(OC[C@@H](O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1	303109574	BESXFYPZWULONA-IBGZPJMESA-N	422.506	3.837	10	20	HHCD	
COc1ccccc1N1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	303376233	LIWPOTPMVOIGKS-UHFFFAOYSA-N	422.573	3.963	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1	303583573	RUYUCVDZCZJTPA-LJQANCHMSA-N	410.606	3.831	10	20	HHCD	
COCCOc1cn(-c2ccccc2)nc1C(=O)NCc1c(C)c2ccccc2n1C	471218241	BLYVYCVZKSDYLG-UHFFFAOYSA-N	418.497	3.628	10	20	HHCD	
COc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c(Br)c1	543883678	XVTGYPQIHLJXMG-UHFFFAOYSA-N	406.280	3.955	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1csc(-c2c(F)cccc2F)n1	726163496	PSBAYPSDHYCCFZ-UHFFFAOYSA-N	415.465	3.855	10	20	HHCD	
COc1ccccc1OCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565487	PUOICEMFLHYWHD-UHFFFAOYSA-N	420.456	3.851	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cc(N)nc(Cl)c2)c(C)n1-c1cccc(F)c1	728628428	LGUZXHXUEVAQJM-UHFFFAOYSA-N	401.825	3.904	10	20	HHCD	
CC[C@@](C)(NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	730905044	WMKHGCAIDRJLLD-YADARESESA-N	408.546	3.513	10	20	HHCD	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731017070	UVRLYFQOCIFPLW-DEOSSOPVSA-N	405.542	3.513	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(N3CCCC3=O)c2)cc1F	731363516	IBXGLJRLMSMZSD-UHFFFAOYSA-N	412.509	3.798	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)NCc3ccc(N(C)C)cc3C)c(C)c2)CC1	734517464	LRRMIOQSADUKGM-UHFFFAOYSA-N	409.578	3.833	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C(C)(C)c3cccc(F)c3)cc2F)CC1	736014533	XZSLCYZCJJGGPB-UHFFFAOYSA-N	401.501	3.701	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)c2C)c1	739808718	CAOAGKOPRLFDCI-LJQANCHMSA-N	415.493	3.860	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	740483897	KCCSOLPDLDIFCP-GOSISDBHSA-N	401.894	3.773	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1	740907222	LOIOKOBFPLDDLO-XLIONFOSSA-N	418.582	3.978	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	741091134	YQUFNGDWUZSVND-JOCHJYFZSA-N	407.514	3.659	10	20	HHCD	
CCOCCOc1ccc(Br)cc1/C=C1/SC(=S)N(C)C1=O	742830750	MIKIJVICHUEHCZ-UKTHLTGXSA-N	402.335	3.695	10	20	HHCD	
O=C1/C(=C\c2cc(Br)c3c(c2)OCCCO3)SC(=S)N1C1CC1	742833796	FCOYOARSZHBFQX-MDWZMJQESA-N	412.330	3.974	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1OC(C)C	743193596	JVTPIHWHZVPZGO-LJQANCHMSA-N	424.545	3.806	10	20	HHCD	
Cc1cc(C(=O)O[C@H]2CCN(C3CCOCC3)C2=O)c(C)n1-c1cccc(Cl)c1	746973834	TWTLYVHKSUVBOH-FQEVSTJZSA-N	416.905	3.684	10	20	HHCD	
O=C(c1ccc(N=c2cc[nH]cc2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	747934805	PFIRUXVNYAFEID-JOCHJYFZSA-N	403.482	3.774	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2nc3ccccc3[nH]2)cc1	751403690	DRIASSFLZZIWNQ-HXUWFJFHSA-N	406.530	3.769	10	20	HHCD	
Cc1cccc(CN(C)[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1	752298968	SSXBKXVUOAHQDN-INIZCTEOSA-N	413.477	3.624	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](C)Cc2cc(Br)ccc2F)c1O	755096510	PXBCIHSNIZCKFP-LLVKDONJSA-N	411.271	3.733	10	20	HHCD	
Cc1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OCC2CC2)c1	755218763	IASOMSSHPYKCKT-UHFFFAOYSA-N	423.557	3.962	10	20	HHCD	
CC(C)CN1CC[C@H](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	756987959	BALSAJXZKSQHCX-QGZVFWFLSA-N	424.536	3.534	10	20	HHCD	
CCc1noc(C)c1COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	757958139	MGTWSCVUIQMGNJ-UHFFFAOYSA-N	420.377	3.586	10	20	HHCD	
C[C@H](c1cccc(NC(=O)NCCCSc2nccs2)c1)N1CCOCC1	758599080	RJYSYMVJUPLERB-OAHLLOKOSA-N	406.577	3.840	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(C(F)(F)F)c1	759083643	JWHMNIAARPIFTJ-ZSOIEALJSA-N	411.177	3.929	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCO[C@@H](c2ccccc2)C1	762263247	KYSXCKHJARFFTA-PKOBYXMFSA-N	400.862	3.730	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccccc1O[C@H]1CCOC1	765316329	XGBNJTOOZCOHED-ZDUSSCGKSA-N	407.264	3.644	10	20	HHCD	
CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	765827182	QHPDIDURPPVKDG-OAQYLSRUSA-N	420.517	3.872	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@@H]3CCSc4c(Cl)cccc43)cc2)CC1	765979586	MBAUYEBPEXTNIY-LJQANCHMSA-N	423.003	3.902	10	20	HHCD	
CCOc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-]	768093630	PEIMIWWZHJQBPK-HNNXBMFYSA-N	403.454	3.820	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)c(NC(=O)c2cccs2)c1	768919703	UDQWUKPSJAOBSR-UHFFFAOYSA-N	402.859	3.995	10	20	HHCD	
CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	769032164	CAZDZLNHXBCJAF-UHFFFAOYSA-N	416.393	3.615	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2CCC(F)(F)F)c1	769977957	GXLMIOBKSDSPHO-UHFFFAOYSA-N	402.394	3.511	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	770761393	LSWAUYIEDJSDAL-JLHGSKIFSA-N	415.509	3.799	10	20	HHCD	
Cc1[nH]ccc(=NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl	771767645	CRKSFRLDQOHGSV-CYBMUJFWSA-N	410.852	3.857	10	20	HHCD	
C[C@H](NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1ccc(N(C)C)cc1	775832075	XDGLJLRLBQWFLD-JXFKEZNVSA-N	406.486	3.967	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN[C@H]1CCN2CCC[C@@H]2C1	776019915	SBUWNHDDNNDOBR-QWHCGFSZSA-N	404.146	3.634	10	20	HHCD	
CC[C@@H](NCc1cc(Br)cc(Br)c1O)[C@@H](O)C(F)(F)F	776253644	MXSJNKAIEQARIE-MWLCHTKSSA-N	421.051	3.709	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	777649865	BNVWQDAPZZENBZ-UHFFFAOYSA-N	420.516	3.517	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)Cc1cccc(F)c1	777825950	BPMVDOLATYTYLV-SFHVURJKSA-N	420.484	3.980	10	20	HHCD	
COC(=O)Cc1sc(NC(=O)/C=C/c2ccc(O)c(O)c2)nc1-c1ccccc1	779497224	DYCBGQWAPIYJDB-CSKARUKUSA-N	410.451	3.589	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1	780394076	QDBAMJAKCFURPO-AUSIDOKSSA-N	401.551	3.796	10	20	HHCD	
O=C(Nc1cccc2c1OCCC2=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782895914	HHXFJADIXMCTPL-UHFFFAOYSA-N	422.481	3.657	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1C1CC1	783912037	GTNYTOBXJQTPAQ-UHFFFAOYSA-N	405.420	3.744	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)c1ccccc1C(F)(F)F	785445262	VKAIYCDBKWBADG-GJZGRUSLSA-N	421.463	3.696	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCCCc1ccccc1	785663624	RSPOVFROZYDSER-UHFFFAOYSA-N	407.558	3.774	10	20	HHCD	
C[C@H]1[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CCN1C(=O)OC(C)(C)C	786631712	QHHUTAYEAWENMT-HOTGVXAUSA-N	421.501	3.980	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1	789988193	BXNRUOLIPPOFAW-UHFFFAOYSA-N	419.547	3.968	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CCS(C)(=O)=O)c1ccccc1	790767378	JWRUGYOSZDJUOI-JOCHJYFZSA-N	416.587	3.708	10	20	HHCD	
COc1ccccc1-c1nc(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)no1	791050746	KGESZTYJPLWGHM-VQHVLOKHSA-N	421.453	3.576	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)c1ccc(N2CCOCC2)cc1	798388174	PYXMRGXRBIQIRF-BUUXRYEFSA-N	415.578	3.555	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	801548664	LFYINYXKHPSANG-UHFFFAOYSA-N	409.446	3.632	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(C(F)(F)F)s1	803866045	ZGWYRIWUWULLMG-UHFFFAOYSA-N	400.422	3.648	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CCC(OCC2CCCCC2)CC1)c1ccc(N(C)C)cc1	807670233	CBHDHKLRNCTZKD-GOSISDBHSA-N	415.578	3.518	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Oc2cccnc2)cc1	808927423	XRFVXGVVOLHNRR-UHFFFAOYSA-N	417.465	3.713	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1	810411671	RVCUEKCBWPOEAX-UHFFFAOYSA-N	415.331	3.741	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(C3CCC3)C2=O)cc(Br)c1O	814185344	DXFXGPUEICQGNB-GHXNOFRVSA-N	400.319	3.917	10	20	HHCD	
N=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(OC(F)(F)F)c1	849083914	ORYWKOOLOUMYRK-UHFFFAOYSA-N	412.387	3.697	10	20	HHCD	
CC(C)NC(=O)c1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C	914602119	RLCNTCWAOUKKGU-UHFFFAOYSA-N	408.527	3.956	10	20	HHCD	
COC(=O)C[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccc(OC)cc1	914849431	INOWDSXVSLSWMT-FQEVSTJZSA-N	407.470	3.532	10	20	HHCD	
O=C(COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)c1ccc(O)c(O)c1	1116815794	CEDBPSHGHMDBMI-UHFFFAOYSA-N	403.843	3.838	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(Br)cc3O)CC2)cc1	1319962237	HZXKZIXJQISZIW-UHFFFAOYSA-N	405.292	3.516	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2cccs2)oc1=S	16878722	VKZQTKJDIDRGRS-UHFFFAOYSA-N	402.545	3.860	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccc(C(F)(F)F)c1	25988667	RKFCPJHQAHZVGA-UHFFFAOYSA-N	407.436	3.884	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(COCC2CC2)c1	65472329	KXTBBGYMLUFMIR-UHFFFAOYSA-N	413.493	3.911	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(OC(F)F)c3)SC2=S)cc1	726628188	VIANFTHOXJIUQY-ZROIWOOFSA-N	406.435	3.793	10	20	HHCD	
c1ccc(Cn2nnnc2CN(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1	727142216	PODXJSXRXOUVLC-UHFFFAOYSA-N	419.510	3.761	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C	728151893	ZEIBFMIKTRJZGF-IBGZPJMESA-N	403.592	3.583	10	20	HHCD	
CCC(CC)N(CCOC)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	728220281	JWOASKXXFRJCJG-IRXDYDNUSA-N	409.546	3.786	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1	729041830	NXPXIHLOWXZMND-UHFFFAOYSA-N	418.497	3.548	10	20	HHCD	
C[C@H]1Oc2c(cccc2C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)NC1=O	731989816	WJUILJPWXVIYRX-CYBMUJFWSA-N	421.419	3.677	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1	734407135	BPXFJYBKHCNQPA-UHFFFAOYSA-N	403.408	3.591	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1	734454317	PURACKGZKMCNLP-UHFFFAOYSA-N	407.539	3.815	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c1	734694322	UURVMXJDNMIYHX-MRXNPFEDSA-N	420.465	3.796	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(N2CCOC2=O)cc1	740910187	OWOCWGUGDUMQEA-QGZVFWFLSA-N	406.486	3.580	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC3CCN(CC(F)(F)F)CC3)c2C)cc1	742448417	FMXZPDBFVUONGN-UHFFFAOYSA-N	409.452	3.859	10	20	HHCD	
CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	743064897	WTDFGJYLZNZICE-SFHVURJKSA-N	401.492	3.648	10	20	HHCD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2c(O)ccc3c2CCCC3)cc1	743715814	BZBNUHKPXVINPU-MRXNPFEDSA-N	412.555	3.956	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1cc([N+](=O)[O-])cc2c1OCOC2	743871037	NOIDJZXYLVFCHR-UHFFFAOYSA-N	423.263	3.952	10	20	HHCD	
COc1cc(/C=C/C(=O)NCc2ccc(N(C)C)cc2)cc(Br)c1O	744380813	PJRVLJWQEPLKSX-RMKNXTFCSA-N	405.292	3.559	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc(N2CCOC2=O)ccc1F	751306546	ACZZCIFQPYRMMP-UHFFFAOYSA-N	417.400	3.744	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](c3ccccc3)c3ccc(F)cn3)cc2)C1	753624463	JPQRSKRWAOROOI-YKSBVNFPSA-N	418.516	3.802	10	20	HHCD	
CCCN(CCNC(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)OC(C)(C)C	754113192	RBDIWPOSFOCHCW-UHFFFAOYSA-N	402.539	3.509	10	20	HHCD	
C[C@H](NCCCC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1O	756730220	MORFKNXZWZJRHG-KRWDZBQOSA-N	401.938	3.825	10	20	HHCD	
COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccc(Br)cc2O)C1=O	756742774	OEKJRLBYSMCXAX-WFASDCNBSA-N	405.292	3.619	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccn(-c3ccccc3)n2)cc1	756919822	JZQSWGSMNUIHKD-DEOSSOPVSA-N	418.541	3.689	10	20	HHCD	
C[C@@H]1C[C@H](Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c2c(O)ccc(F)c21	757626472	AGISSQUAKLRYFL-DOMZBBRYSA-N	401.463	3.781	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@@H](C)N(Cc4ccccc4)C3)CC2)cc1	757669493	HLOKQQPJFKNOFM-KNQAVFIVSA-N	422.573	3.626	10	20	HHCD	
CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1	758164353	WYEXABZQFBFNOR-UHFFFAOYSA-N	417.314	3.982	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	758498446	WRBITASVCIWDSN-FUHWJXTLSA-N	404.555	3.587	10	20	HHCD	
CCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	759187877	RVOYHVBLXFRFFW-RBUKOAKNSA-N	421.335	3.780	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1	761969000	XAYNEJBBWBPMFY-CQSZACIVSA-N	416.433	3.692	10	20	HHCD	
CC(C)OC(=O)C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	766088329	XORNVARSGPBQPO-IBGZPJMESA-N	419.591	3.503	10	20	HHCD	
CCOc1ccc(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c(O)c1	768317491	FMWMODNYSALFMX-UHFFFAOYSA-N	400.494	3.767	10	20	HHCD	
Cc1cc2c(N3CCC[C@@H]3C(=O)NCCCSc3nccs3)ncnc2s1	770969528	RUBIXTZYHQCFPF-CQSZACIVSA-N	419.601	3.724	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)cc2)CC1	771513897	NRNHLBCSTBBTQS-XMHGGMMESA-N	413.543	3.983	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	771767133	WDJVORYFTIFZBL-UHFFFAOYSA-N	424.379	3.772	10	20	HHCD	
C[C@@H](NC[C@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1	773063986	KZJCISQMCIPQJK-QRWLVFNGSA-N	405.336	3.670	10	20	HHCD	
COCC1(C)CCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	773721068	GTRQRGJMXHGQQO-MRXNPFEDSA-N	420.509	3.538	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(COc2ccccc2)cc1	774127987	YIXSTYRTQRHGOM-UHFFFAOYSA-N	417.509	3.929	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)c1O	774842782	ZPPPKCIJMSYYHK-ZFWWWQNUSA-N	409.483	3.577	10	20	HHCD	
CC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)ccc1O	775555978	TZOKXPFNUXXQIE-PMACEKPBSA-N	402.922	3.556	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1O	779025929	GBWIHTNTWYLXPJ-HRAATJIYSA-N	419.363	3.751	10	20	HHCD	
CC[C@@H]1C[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1	780590874	WFCKZVAOGUYGAW-DFQSSKMNSA-N	419.566	3.640	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cc(F)ccc2F)cc1	782429138	KBMLLHBCUKFCMX-UHFFFAOYSA-N	413.424	3.791	10	20	HHCD	
CC(C)[C@H](COCc1ccccc1)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	783223488	PEQSAUSLRLFDEZ-VWNXMTODSA-N	409.574	3.719	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1	784029788	JHZGPGGKCRLAGJ-UHFFFAOYSA-N	413.493	3.899	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c(OC)c1	785550258	ZGLDGCZLBCWEEJ-UHFFFAOYSA-N	418.515	3.519	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1	788910592	CQADKKIZTJVXIL-FCHUYYIVSA-N	405.542	3.746	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(OC)c1	790957659	FBNMVNFIRJBVDN-UHFFFAOYSA-N	410.392	3.797	10	20	HHCD	
CN1CCN(Cc2ccc(CNCc3ccc(N(C)C)cc3C(F)(F)F)cc2)CC1	792917189	CYUXQCLJCJBMCT-UHFFFAOYSA-N	420.523	3.809	10	20	HHCD	
CC[C@H]1NC(=O)N(c2cccc(NCc3cc(Br)ccc3O)c2)C1=O	793345742	FTTUWOVITIMCKG-OAHLLOKOSA-N	404.264	3.602	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1	794658034	OASQBUQBNOQWLS-FTJBHMTQSA-N	417.553	3.776	10	20	HHCD	
CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1	795554267	VJVMZPVUSBTVDH-UHFFFAOYSA-N	418.496	3.796	10	20	HHCD	
C[C@](O)(CSc1cccc(F)c1)C(=O)NCc1ccc(N2CCCCC2)cc1	795770454	ZAVPTVGYSZKDTE-QFIPXVFZSA-N	402.535	3.976	10	20	HHCD	
CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1	795786700	NQRINCUHDULJFC-QGZVFWFLSA-N	413.946	3.694	10	20	HHCD	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803686201	ZGORRJJRVDDKQX-MRXNPFEDSA-N	405.498	3.651	10	20	HHCD	
Cc1cc(C(=O)COC(=O)COc2ccc(CO)cc2)c(C)n1-c1cccc(F)c1	803843562	WJPUOEFUAVEAEZ-UHFFFAOYSA-N	411.429	3.530	10	20	HHCD	
CCOC(=O)C(C)(C)c1csc(NC(=O)NCc2ccc(N(C)C)cc2C)n1	806819743	GDAJRRWXOMIAPC-UHFFFAOYSA-N	404.536	3.680	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCC1(c2cccs2)CCCCC1	807292834	ZXDIYMZRPOEVQR-UHFFFAOYSA-N	423.582	3.759	10	20	HHCD	
CON(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	813042561	LQTVHIOSUVLNNR-UHFFFAOYSA-N	407.873	3.589	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)[C@H]1OCCc2sccc21	815952899	YLRGZDFDRHLTQB-CWTRNNRKSA-N	423.918	3.559	10	20	HHCD	
O=C(Nc1c(C2=S=CC=C2)nc2ccccn12)c1ccc(-c2nnc(S)o2)cc1	820000023	ZPUDFGMHIJCNAQ-UHFFFAOYSA-N	419.491	3.551	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCC(=O)O)c3)SC2=S)cc1	864009335	LYVKAVRZELQRCT-GZTJUZNOSA-N	414.508	3.622	10	20	HHCD	
Cc1cc(-c2nc([C@H]3C=CC=NC3=O)no2)c(C)n1-c1ccc(Br)cn1	904753528	URUXOMGIXGIZHX-CYBMUJFWSA-N	412.247	3.552	10	20	HHCD	
COc1cc(F)ccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	914530414	SIIMIFLWHHOPAE-UHFFFAOYSA-N	420.352	3.770	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN(C)S(=O)(=O)c2c(C)noc2C)c1C	917396660	GMZDUFKOEXVHJG-UHFFFAOYSA-N	415.515	3.511	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)Cn2ccnc2)c(C)n1-c1cccc(Br)c1	918584227	JVLFQEAIWWYCMJ-ZDUSSCGKSA-N	401.308	3.872	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)cc2F)CC1	1116590477	WKVYXEJZWXRGAY-NFBKMPQASA-N	401.501	3.727	10	20	HHCD	
COc1ccc2cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2c1	1321969179	QYSDZFTVDWTSFX-UHFFFAOYSA-N	404.510	3.987	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cnc(Cl)cc1Cl	1326509179	KVTLQXJWFCPOAL-UHFFFAOYSA-N	402.086	3.879	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCCN2C(=O)c3ccccc3C2=O)cc1	24187458	KYLFLXBUBBXROY-UHFFFAOYSA-N	407.514	3.568	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nnnn3C[C@@H]3CCCO3)c2C)c1	71923809	BSNJFHXDBZUTSN-SFHVURJKSA-N	411.531	3.543	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1nc(-c2cccc(F)c2)no1	237542351	OLWKEVRMHUCETC-AWEZNQCLSA-N	400.429	3.702	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](Nc3cc(N4CCSCC4)ncn3)C2)cc1	302879555	HANXOPLYFOANTO-OAHLLOKOSA-N	421.517	3.712	10	20	HHCD	
Cc1cc(C(=O)Cn2cnnc2[S@](C)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	303470273	QJOQXPOZLPCGOE-SANMLTNESA-N	411.314	3.613	10	20	HHCD	
Cc1c(CNC(=O)CSCC(=O)N(C)C2CCCCC2)n(C)c2ccccc12	471245983	WVXJJRIRINICLZ-UHFFFAOYSA-N	401.576	3.627	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)n(C)c2ccccc12	482912367	VUDJCKXGSLPKAJ-HUUCEWRRSA-N	409.452	3.588	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](c2ccc(F)cc2F)C(C)C)n(C)c2ccccc12	565737772	OJIRXYQVBGGDDJ-NRFANRHFSA-N	413.468	3.895	10	20	HHCD	
CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCc3ccc(N(C)C)cc3)ccc21	727839447	CKQNGNNNIFXZKU-UHFFFAOYSA-N	421.545	3.897	10	20	HHCD	
COC(=O)CCSCc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1	728939204	ZVQJLHWJQBYXBS-UHFFFAOYSA-N	401.532	3.871	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)cc2)CC1	731016324	HEJBVJLZIVRCNQ-PMACEKPBSA-N	422.573	3.862	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@H]3c3cc4ccccc4[nH]3)nc12	731033269	QWXUJSQMRWWBJM-FQEVSTJZSA-N	419.485	3.820	10	20	HHCD	
O=C(Nc1ccccc1Br)C1CCN(C(=O)c2cc(O)cs2)CC1	732281820	AHNVFHMCZGRZRI-UHFFFAOYSA-N	409.305	3.707	10	20	HHCD	
C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCCSc1nccs1	733974964	RURCCIBOYNLZGU-GFCCVEGCSA-N	413.565	3.641	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc(N(C)C)cc2C)cc1C	734405380	FFBGIYIHBZZWDK-UHFFFAOYSA-N	409.559	3.667	10	20	HHCD	
Cc1cc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c(C)n1-c1ccc(Cl)cc1	734454148	UQQNXYDWQQTXQC-OAQYLSRUSA-N	414.981	3.600	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)CC2)cc1	735686873	HGRVOXKGJNJQNA-RXVVDRJESA-N	403.567	3.758	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)s1	735828442	UWGPCYUMNGTADN-UHFFFAOYSA-N	409.349	3.649	10	20	HHCD	
Cn1ccnc1-c1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	736972149	NPDSVVOFJJZRHE-UHFFFAOYSA-N	423.492	3.509	10	20	HHCD	
CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	739005104	SMKHGRGQZYBLHQ-NRFANRHFSA-N	413.541	3.655	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCc2c(Cl)cccc2C1	740031957	OLQTVFPHOUUTLM-UHFFFAOYSA-N	403.885	3.584	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(C)n1-c1ccccn1	740834392	LEGVGLIWDVFXFZ-BEFAXECRSA-N	412.534	3.864	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c(SC)cc1OC	741300846	NDXMVNHRJVTMNI-YVLHZVERSA-N	424.613	3.721	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCc3cccc(C(=O)N(C)C)c3)c2C)cc1	741712548	RSLLGMIMALROTF-UHFFFAOYSA-N	419.525	3.777	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	741734524	WYNQDZSUJZOGMN-MRXNPFEDSA-N	417.937	3.644	10	20	HHCD	
C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1	742173444	VQVAPWKXFQOYIO-AWEZNQCLSA-N	419.319	3.762	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)CCC2	742335145	WTIUOOWIVHBSQV-QGZVFWFLSA-N	422.497	3.724	10	20	HHCD	
COc1ccc([C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)N2CCCC2)cc1	742710574	CUAMHYKOIRNTDJ-QHCPKHFHSA-N	423.557	3.916	10	20	HHCD	
CCc1noc(C)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742755048	UWXKBPYFMFYFQT-SFHVURJKSA-N	416.522	3.607	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(N2CCOCC2)cc1	743564492	MLLZVBCWRIKXTG-QGZVFWFLSA-N	409.530	3.668	10	20	HHCD	
C[C@@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1	743565734	XWXBHNCZSLNMLC-QGZVFWFLSA-N	406.486	3.739	10	20	HHCD	
CN(c1ccc(CNC(=O)NCCCOC2CCOCC2)cc1)C1CCCCC1	743566886	LFZRHBKNXMJCIS-UHFFFAOYSA-N	403.567	3.840	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H]3CCCN3Cc3ccc(F)cc3)CC2)cc1	747218264	QEBUARORCDTWOT-HSZRJFAPSA-N	411.521	3.584	10	20	HHCD	
CCc1ncsc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	750346188	ODBQMGNGRHNRRQ-QGZVFWFLSA-N	418.563	3.767	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c(OC)c1	752123466	CHLMNFOLMIBFMA-GOSISDBHSA-N	409.442	3.704	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(CCC(F)(F)F)cc3)CC2)cc1	753157623	PJSZHPGJXMKNAU-UHFFFAOYSA-N	421.463	3.951	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)N3CCC[C@H]3c3cccs3)CC2)cc1F	753858503	UTOFZFNTMFEBSH-APWZRJJASA-N	417.550	3.770	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(-c3ncco3)c2)cc1	754484936	XAFLDGLVCCNYFJ-UHFFFAOYSA-N	406.486	3.785	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(C)o1	754692874	DIUQBLUJNMOLJJ-UHFFFAOYSA-N	414.411	3.577	10	20	HHCD	
CCc1noc(CC)c1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	755127885	PWHXBQPEQHMCLN-GASCZTMLSA-N	418.513	3.552	10	20	HHCD	
C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)c(F)cc1O	756674474	VKGUTHIUAKVDOR-SJCJKPOMSA-N	407.283	3.746	10	20	HHCD	
C[C@@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)c(F)cc1O	756784113	LSUJECHELZWLOT-UKRRQHHQSA-N	421.310	3.993	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(CCc1ccccc1)Cc1cccnc1	759573317	NZAOVOFZJAMPHG-UHFFFAOYSA-N	416.569	3.851	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H](c2ccsc2)O1	759728761	ZSAKMZCGUHUWKQ-UZLBHIALSA-N	417.600	3.973	10	20	HHCD	
C[C@H](NC(=O)N1CCC2(CC1)OCc1ccccc12)c1ccc(N2CCOCC2)cc1	760167484	PKYDUURXTFRQFR-IBGZPJMESA-N	421.541	3.815	10	20	HHCD	
COc1cc(Cl)cc(CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1O	761198545	KCDKHFDCOSMMOY-GOSISDBHSA-N	411.329	3.559	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)/C=C\c3cccc(Cl)c3)CC2)cc1	768838587	INTPWVOROMCWDP-KAMYIIQDSA-N	406.935	3.908	10	20	HHCD	
O[C@@H](c1ccc(F)cc1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	769382238	STSYONBUXSWOBP-QHCPKHFHSA-N	402.485	3.747	10	20	HHCD	
CN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc(N2CCOCC2)c(F)c1	771101547	UWTVWUDVXOPTQU-GOSISDBHSA-N	420.282	3.621	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(-c2ccccc2)nn1	773273695	DNABYAJWVGPVDD-UHFFFAOYSA-N	417.513	3.674	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(COc3ccccc3)cc2)cc1	774076803	LGPCTZXLFJJAJQ-UHFFFAOYSA-N	403.482	3.587	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCc3c(Br)ccc(F)c3C2)c1O	775062956	LRRSSXTZQPUOQN-UHFFFAOYSA-N	411.227	3.769	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc4c(c3)CCC(=O)N4CC3CC3)cc2)CC1	775348096	IQKSFQZHLVKPJL-UHFFFAOYSA-N	404.558	3.740	10	20	HHCD	
C[C@@H](NC(=O)Nc1cnn(-c2cnc3ccccc3n2)c1)c1ccc(N(C)C)cc1	775688466	PJIQXJYKZSJXKH-OAHLLOKOSA-N	401.474	3.764	10	20	HHCD	
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1	775831079	OZBHVVOEZHFWOM-VGSWGCGISA-N	411.546	3.784	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@H]2CCCc3c2cnn3C)NC(=O)OC(C)(C)C)cc1	777302400	OVIXKXXTJMINGO-PMACEKPBSA-N	413.566	3.719	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(Br)c(OC)cc2OC)c1	779505421	OJOAUOWAJBTOLL-UHFFFAOYSA-N	411.252	3.502	10	20	HHCD	
Cc1nnc(-c2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc2)o1	784058367	RVTKWWZCDUBICR-UHFFFAOYSA-N	419.485	3.932	10	20	HHCD	
COC(=O)N(C)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1	784058666	ZNAHSPZTQBECKI-UHFFFAOYSA-N	424.501	3.776	10	20	HHCD	
Cc1cc(C)nc(-n2nccc2NC(=O)N(Cc2ccco2)Cc2ccccc2O)n1	789313675	NTDCCGMHLWPOAZ-UHFFFAOYSA-N	418.457	3.812	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1	789353753	XGSPYYKXRPWWDP-OAHLLOKOSA-N	414.575	3.615	10	20	HHCD	
Cc1nc2cc(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)ccc2o1	791579099	YSMGMGVZNDKABV-UHFFFAOYSA-N	414.465	3.880	10	20	HHCD	
CCOc1ccc(NCc2cc(Cl)ccc2O)cc1S(=O)(=O)N1CCCC1	796393503	CUGBVQASIRKUFK-UHFFFAOYSA-N	410.923	3.841	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c(O)c1	797610802	RYEUZRBOLDEXOC-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	799739955	SIIRAPRHGCTEMU-LJQANCHMSA-N	403.567	3.650	10	20	HHCD	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	803659638	VHAMZEXFODPODC-PZJWPPBQSA-N	411.521	3.611	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@H](C)C3	808016310	ZYUKLTMMCWZRPY-LBPRGKRZSA-N	406.573	3.879	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H]3CCc4c3ccc(OC)c4F)cc2F)CC1	808693753	OTLQSBZYXDNROJ-FQEVSTJZSA-N	401.501	3.892	10	20	HHCD	
CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC	914485359	SHWJBYJKLYWICA-UHFFFAOYSA-N	413.474	3.873	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(OCCOc3ccccc3)nc2)cc1	917998155	ATMPBQFJUUIBMP-UHFFFAOYSA-N	420.513	3.605	10	20	HHCD	
Cc1cc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1F	918200051	VATFSVBILJBVDG-HZPDHXFCSA-N	403.473	3.886	10	20	HHCD	
CCO[C@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1	920225596	FMYQEKHIJVNBCI-QXPQOBGOSA-N	424.613	3.757	10	20	HHCD	
Cc1nn(C)c(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1[N+](=O)[O-]	920660036	DDWPPAIBXNGWQP-UHFFFAOYSA-N	422.401	3.848	10	20	HHCD	
CN1CCN(c2ccc(CNCc3cc(F)ccc3Br)cc2F)CC1	1251727295	RCQLYZQPUHCIPU-UHFFFAOYSA-N	410.306	3.769	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc(C)c4ccccc4n3)CC2)cc(OC)c1OC	1254762054	XPTVXVKNUCQYSS-UHFFFAOYSA-N	421.497	3.531	10	20	HHCD	
O=C(CCc1nc2ccccc2s1)NCc1ccc(N2CCC(O)CC2)c(F)c1	1318051511	XLDUZDJMXJOMHN-UHFFFAOYSA-N	413.518	3.646	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2cccs2)CCCCC1	1323860011	NHSRGLTYELILMH-INIZCTEOSA-N	417.527	3.652	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccc2ccccc2c1	1324137050	WCVOIPSBTPZWDH-NRFANRHFSA-N	421.493	3.864	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1	1325764466	RLCVVCJOFGUOLU-KSSFIOAISA-N	419.905	3.611	10	20	HHCD	
Cc1cc(C(=O)CSc2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	4246881	MNJQWEJRJCZCOE-UHFFFAOYSA-N	418.515	3.856	10	20	HHCD	
COc1cccc(CN(C)C(=O)CSc2ncc(-c3ccccc3)n2C)c1OC	10196805	MPNRPKPSPHGBLG-UHFFFAOYSA-N	411.527	3.855	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H](CC(N)=O)c3ccccc3)ccc21	478180686	PSPRXEMCLGHVRW-JOCHJYFZSA-N	407.514	3.593	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NC2CCC(c3ccccc3)CC2)n(C)c2ccccc12	556043339	SUGNAESZGFBLDT-UHFFFAOYSA-N	403.526	3.946	10	20	HHCD	
CCOc1ccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)cc1OC	726196761	AVMPPMKJOWHUQX-QGOAFFKASA-N	400.525	3.933	10	20	HHCD	
Cc1ccccc1OCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726613670	QIWXQAWWJKBDHM-UHFFFAOYSA-N	419.472	3.943	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2csc(-c3ccccn3)n2)SC1=S	727176325	JQLNALMTCKNSFN-OQLLNIDSSA-N	418.613	3.994	10	20	HHCD	
CC(=O)Nc1cccc(OCCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	729613566	DUPDAHICEUVRTA-UHFFFAOYSA-N	424.545	3.856	10	20	HHCD	
NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	731035907	AFXJCAAACKROJR-UHFFFAOYSA-N	416.484	3.550	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1-c1ccccn1	732129201	AJYPGZYXNZTSMG-GOSISDBHSA-N	408.889	3.678	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	734524005	GJRLKOFIPHIYOD-INIZCTEOSA-N	402.489	3.665	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC[S@@](=O)Cc2ccccc2)cc1	735107444	HOJSVKZRXIZSJY-MUUNZHRXSA-N	401.576	3.623	10	20	HHCD	
CCOC(=O)c1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc([N+](=O)[O-])c1	735930435	KIGCVOQYJSWRDH-UHFFFAOYSA-N	424.409	3.913	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(OC4CCCC4)c3)c2)CC1	739767339	ZLQATCTVEJIOJP-UHFFFAOYSA-N	407.514	3.962	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCSc2ccccc21	743311752	CCMFPCGRAAAKBA-SFHVURJKSA-N	400.519	3.683	10	20	HHCD	
CCC(=O)N1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	743346625	IQLQRHUKQPBCDD-UHFFFAOYSA-N	400.567	3.609	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1OC(=O)c2ccccc21	743808772	DQSFJEFUJPWSOG-KRWDZBQOSA-N	404.260	3.805	10	20	HHCD	
CCN(CC(=O)NCc1cccc(Cl)c1)Cc1cc(Br)ccc1O	743873045	HHWGDXXHBHIJSK-UHFFFAOYSA-N	411.727	3.946	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCCOC2CCOCC2)cc1	745845342	MEJCSUYKRYYBNW-UHFFFAOYSA-N	415.534	3.643	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)sc2C)cc1	749738051	PNMZZPDFSSAUNX-UHFFFAOYSA-N	418.544	3.776	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2c(Cl)nc3ccccn23)cc1	751403063	BQXRXUWYXQZXRQ-SFHVURJKSA-N	412.921	3.875	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(C)nc3Br)CC2)cc1	755841000	HSHFIQJJVVINQW-UHFFFAOYSA-N	404.308	3.560	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csc([C@H]2CCCO2)n1	755841624	NLFFYMUYEMIYPG-QGZVFWFLSA-N	423.485	3.995	10	20	HHCD	
COc1cc(-c2noc(CN(C)c3ccc4c(c3)OCO4)n2)ccc1OC(F)F	756653304	FNBVVNWNHRTPIZ-UHFFFAOYSA-N	405.357	3.712	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1ccc(Cl)c(Cl)c1O	756730073	KVGFISDCDAZCQU-ZDUSSCGKSA-N	410.345	3.841	10	20	HHCD	
Cc1cc(C(=O)NCCCO[C@H]2CCOC2)c(C)n1-c1ccc(Br)cc1	756991917	ZKWOIUBDBOFIEH-SFHVURJKSA-N	421.335	3.782	10	20	HHCD	
OC[C@H](CNCc1c(O)ccc(Cl)c1F)Cc1cccc(Br)c1	758528418	NMTGXBZJXKFKIY-LBPRGKRZSA-N	402.691	3.888	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCc2c1cccc2C(F)(F)F	759369352	HMYKSDBPTRJRKY-UHFFFAOYSA-N	419.447	3.709	10	20	HHCD	
C[C@@H](N[C@@H](CO)CC(F)F)c1cc(Br)cc(Br)c1O	760048641	DGPJGQWOVDCJDL-HTRCEHHLSA-N	403.061	3.584	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](CO)COC(C)C)c(C)n1-c1ccccc1Br	762565449	WLDIHCDNIZTWCQ-MRXNPFEDSA-N	423.351	3.715	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3nccn3C)CC2)c(C)n1-c1cccc(Cl)c1	763615002	MZINSJQFNGMPJR-UHFFFAOYSA-N	411.937	3.880	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@@H](Nc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	764356487	GLZXKVOIASOJKE-SIKLNZKXSA-N	408.546	3.870	10	20	HHCD	
C[C@H](CCNC(=O)NCc1cccc(Br)c1O)N(C)Cc1ccccc1	764791666	PHYYBAVCQUSWIO-OAHLLOKOSA-N	420.351	3.865	10	20	HHCD	
Cc1c(C(=O)NCc2cccc(Br)c2O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	765727109	KJBPTDIAIMPIGO-UHFFFAOYSA-N	424.207	3.518	10	20	HHCD	
CN(C)[C@@H](C(=O)NCc1cccc(Br)c1O)c1c(F)cccc1Cl	765731185	ZESILSHSIGWLNM-OAHLLOKOSA-N	415.690	3.866	10	20	HHCD	
Cc1cc(C(=O)NCCS(=O)(=O)CC2CC2)c(C)n1-c1ccc(C(C)C)cc1	766610304	GQCYNTPWFDTCBI-UHFFFAOYSA-N	402.560	3.772	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c1O	767127574	VVQJOOUEXSUOIE-LLVKDONJSA-N	411.271	3.733	10	20	HHCD	
Cc1cc(CC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c(C)n1-c1ccc(Cl)cc1	770915024	QVZXDLZCVAJHLJ-SIKLNZKXSA-N	402.922	3.744	10	20	HHCD	
Cn1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(-c2ccccc2)n1	772803236	QKGSQIFVAOXMFV-LJQANCHMSA-N	424.932	3.841	10	20	HHCD	
CC(C)c1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc(O)n1	775528925	BJOYILBFAKZGMA-UHFFFAOYSA-N	405.445	3.911	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1O	779461538	HNLURROWYNPHEL-UHFFFAOYSA-N	420.391	3.986	10	20	HHCD	
CN(c1ccc(CNC(=O)N(CC(=O)O)CC(F)(F)F)cc1)C1CCCCC1	780484079	AGCNPYVVKHRRGU-UHFFFAOYSA-N	401.429	3.614	10	20	HHCD	
COc1cccc(CNC(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)c1O	780983679	GAUDPOCBACRPRH-OAQYLSRUSA-N	407.466	3.720	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)[C@@H]3CCC(=O)N3C)n2)c(C)n1-c1ccc(F)cc1	783729278	RILQGDHKGFOAPR-SFHVURJKSA-N	412.490	3.916	10	20	HHCD	
Cc1nc2cc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)ccc2n1C	784058656	ZFEPUOLGGOXDBV-UHFFFAOYSA-N	405.502	3.768	10	20	HHCD	
COc1cccc(CNc2ccc(N3CCN(C)CC3)c(Br)c2)c1O	786835134	BZQPTWRJZCFHHF-UHFFFAOYSA-N	406.324	3.527	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CC)c1ccccc1OC(F)F	787870143	NQIMCTVJUXORAY-QGZVFWFLSA-N	420.456	4.000	10	20	HHCD	
C[C@H](Cc1ccccc1F)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	787978505	YZNRGRAOLPEQJC-GOSISDBHSA-N	411.521	3.522	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1F	788927264	RKOUELMYVQZKIT-UHFFFAOYSA-N	401.457	3.835	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(-n2ccnc2)cc1	791247016	SUVAPRXKOIUDEV-UHFFFAOYSA-N	420.513	3.875	10	20	HHCD	
Cc1cc(N2CCC(NCc3ccc(N(C)C)cc3C(F)(F)F)CC2)nc(C)n1	793048000	ORVKRJXHHJPCNT-UHFFFAOYSA-N	407.484	3.937	10	20	HHCD	
COc1cc(Br)cc(CNc2cccc(N3C(=O)CCCC3=O)c2)c1O	793257125	QAVBLPDUKDIFLL-UHFFFAOYSA-N	419.275	3.819	10	20	HHCD	
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)CC(=O)Nc1ccccc1	800533575	BHJASUFTLHDNGZ-HNNXBMFYSA-N	401.463	3.938	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)nc12	801601752	NBALXWTUTOTVIB-GGPHIMKMSA-N	406.486	3.522	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1OC(F)F	802609398	ALGAPSWSFDZRTC-UHFFFAOYSA-N	410.392	3.900	10	20	HHCD	
CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	803122318	YIHOWHGQDDIYCN-ZDUSSCGKSA-N	419.319	3.974	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl	804005702	FVZZFLGNKUJHDX-AWEZNQCLSA-N	422.356	3.731	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nc(C2CCOCC2)cs1	806728933	UBQFIVPXXXKBHK-UHFFFAOYSA-N	418.588	3.912	10	20	HHCD	
CCOC(=O)C(C)(C)c1csc(NC(=O)NCc2ccc(N(C)C)c(F)c2)n1	806819529	DVSVBGHAKMYGTH-UHFFFAOYSA-N	408.499	3.511	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c2cccnc12	807511895	ZVOKXACVUPKUKI-UHFFFAOYSA-N	404.253	3.811	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(F)F)cc2)cc1	808094580	VIZPCZHRVSPPIA-UHFFFAOYSA-N	418.487	3.967	10	20	HHCD	
CC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccc(C(F)(F)F)cc1O	810210877	GOONZGKRQJZPED-INIZCTEOSA-N	402.438	3.560	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1nc3c(s1)CCC3)c2[N+](=O)[O-]	823578831	HNKUZJSZOGILOQ-UHFFFAOYSA-N	419.418	3.568	10	20	HHCD	
CCc1ccccc1OCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916457947	SLUYFDMOBHNLLZ-UHFFFAOYSA-N	422.447	3.800	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)Nc2ccnn2Cc2cccs2)C2CC2)cc1	917073837	CSTITKYHOJCNIH-UHFFFAOYSA-N	409.559	3.662	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1-c1ccccc1	917713537	RWGGVOJKRDJSFC-IRXDYDNUSA-N	422.504	3.863	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)COc3ccccc3)cc2F)C[C@@H](C)O1	918090642	QBYKRGYOEVAZLS-KURKYZTESA-N	415.509	3.706	10	20	HHCD	
CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1	921071827	HGDNFOPNILEETF-FQEVSTJZSA-N	416.566	3.876	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)s1	1251531128	WUXOPELEWNFGKI-UHFFFAOYSA-N	405.526	3.866	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(Cc4ccccc4Cl)c3)CC2)cc1	1319492390	WTIOMSWZKMRWHE-UHFFFAOYSA-N	424.932	3.946	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4C)c3C)CC2)cc1	1340946761	YABXALBAHLKBOH-UHFFFAOYSA-N	404.514	3.850	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/C2CC2)cc1	1847588023	VRFBSMNDNVRFQG-GRGRKJSWSA-N	403.526	3.876	10	20	HHCD	
O=C(CSc1nnc(-c2ccccc2Br)o1)c1ccc(O)c(O)c1	7205276	UHZAYUSZAZIVIM-UHFFFAOYSA-N	407.245	3.885	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)ccc21	195738992	RCHJETRGLFRULZ-UHFFFAOYSA-N	415.419	3.599	10	20	HHCD	
CCN(Cc1cccc(F)c1)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	302831625	CCSOMHVHWAJDIO-NRFANRHFSA-N	400.494	3.561	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(OC(F)F)cc3)CC2)cc1	726702946	RBCHLAXOQAVKBM-UHFFFAOYSA-N	405.445	3.765	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1	728951059	YTAYYCIFOUPVDW-CABCVRRESA-N	403.910	3.941	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(N3CCOC3=O)cc2)cc1F	731402795	JIXJOCKMEDDQEO-UHFFFAOYSA-N	400.454	3.950	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCC1CCOCC1	733007301	FOHSXXZJFFRDKD-RVDMUPIBSA-N	411.570	3.699	10	20	HHCD	
COC(=O)CCc1nc(COC(=O)c2ccccc2N=Nc2ccc(O)cc2)no1	733405884	HPLCDAKTVUXBAG-UHFFFAOYSA-N	410.386	3.653	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)NCCc2nc3ccccc3s2)cc1	741678108	JPVWHTQHARAGMW-UHFFFAOYSA-N	410.587	3.933	10	20	HHCD	
Cc1ccccc1CS(=O)(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742334271	IXDFGYXOTUOGIA-QGZVFWFLSA-N	410.486	3.685	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CC[C@@H]2CCCCO2)NC(=O)OC(C)(C)C)cc1	742752132	YVHQAACFAFLXPT-VQTJNVASSA-N	419.566	3.784	10	20	HHCD	
Cc1cccc(F)c1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	743554823	LZNHHQGWHVLUNC-HOTGVXAUSA-N	403.473	3.886	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)NCc3c(O)ccc4c3CCCC4)cc2)n1	743585578	LGPAEVWENKXHAM-UHFFFAOYSA-N	420.513	3.925	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)ccc1C	745995003	ZTLZTBMQSNTEEP-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)c2C)c1	747207243	ZPVFEUNEPYWZLX-XMMPIXPASA-N	416.481	3.515	10	20	HHCD	
C[C@@]1(C2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)NC(=O)NC1=O	749225653	OARSJWGDUKRSNX-QFIPXVFZSA-N	420.473	3.944	10	20	HHCD	
C[C@@H](NC(=O)NC(C)(C)CN(C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1	754581745	MOEKRTAEYQUVMY-HXUWFJFHSA-N	424.589	3.794	10	20	HHCD	
Cc1cc(F)ccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	754778254	FWQUREWULLMLGA-IYBDPMFKSA-N	404.457	3.582	10	20	HHCD	
C/C(=C/c1ccccc1)CN(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	755592827	DKXUXBPLGBVLPX-JXTFVVQCSA-N	420.557	3.633	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H](C)C3CCCCC3)CC2)cc(OC)c1OC	759270640	CNNUDZIFOSQCGF-MRXNPFEDSA-N	405.539	3.513	10	20	HHCD	
COc1cc(N2CCN(C(=O)NC3CCC(C(C)C)CC3)CC2)cc(OC)c1OC	759287511	NRMXZGXGTUKBQX-UHFFFAOYSA-N	419.566	3.759	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NCCCSc2nccs2)C1	759573623	NABASOQXEQXFFH-CQSZACIVSA-N	414.597	3.572	10	20	HHCD	
COC(=O)c1ccc(-c2nc(COC(=O)/C=C/c3ccc(O)c(O)c3)cs2)cc1	759597833	SNQYBIWNJVNDIN-YCRREMRBSA-N	411.435	3.765	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3cnn(-c4cnc5ccccc5n4)c3)ccc21	760029919	CRVSBRWCGBJHHO-UHFFFAOYSA-N	413.485	3.520	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C2=Cc3cc(Br)ccc3OC2)c1	761981105	GGAAHLRUINSNFG-NSHDSACASA-N	404.260	3.817	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H](CN1CCCC1)c1ccccc1	764760487	GRVUVHNUVFNMEQ-SFHVURJKSA-N	418.335	3.791	10	20	HHCD	
C[C@H](CNC(=O)NCc1cccc(Br)c1O)COCc1ccccc1	764766847	IUQGYHXOOLMVGB-CQSZACIVSA-N	407.308	3.807	10	20	HHCD	
C[C@@H](OC[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	764865191	UUVGWTDAVOAMKX-WZONZLPQSA-N	418.965	3.747	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(N2CCOC2=O)c1	765296925	KZJYUJCITRHNQU-GOSISDBHSA-N	409.530	3.703	10	20	HHCD	
CCc1ccc(CC)c(NC(=O)C(=O)NCc2cccc(Br)c2O)c1	765904334	RHMNEWAMWXDXTH-UHFFFAOYSA-N	405.292	3.534	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C(=O)Nc1csc2ccccc12	765929271	CNIDALNPIPMJLD-UHFFFAOYSA-N	405.273	3.624	10	20	HHCD	
C[C@@H](Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1[N+](=O)[O-])c1ccccn1	768900980	RKMCYFIWQQVSPS-CQSZACIVSA-N	422.441	3.547	10	20	HHCD	
O=C(NC[C@H]1CCCN(Cc2cccc(Br)c2O)C1)c1ccccc1	769245702	USHZCBYHGSNAKJ-OAHLLOKOSA-N	403.320	3.797	10	20	HHCD	
C[C@@H](CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)CN1CCN(C)CC1	772691547	AGIDGGQBSODZMZ-IBGZPJMESA-N	422.577	3.781	10	20	HHCD	
COc1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	773244174	IBMWTRHSJZUOMV-UHFFFAOYSA-N	401.894	3.544	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnc(Oc4ccccc4)cn3)CC2)cc1	773297158	LMFULVZDLMCMLX-UHFFFAOYSA-N	404.470	3.676	10	20	HHCD	
C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)c1ccc(N(C)C)cc1	773627245	NSAQOPNPPISPBW-MRXNPFEDSA-N	414.937	3.521	10	20	HHCD	
Cn1cc([C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)c2ccc(F)cc2)cn1	776196083	FPIJQGISJNOKME-JOCHJYFZSA-N	408.477	3.732	10	20	HHCD	
Cc1nn(-c2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2)c(C)c1Br	778914435	JTLDKSYQQJJMIM-UHFFFAOYSA-N	416.275	3.593	10	20	HHCD	
COc1cc(/C=C/C(=O)NCc2ccc(O)c(O)c2)ccc1OCc1c(C)noc1C	778919919	POHJUYSWSWCUNF-RMKNXTFCSA-N	424.453	3.620	10	20	HHCD	
CC(=O)NCCN(Cc1cc(-c2ccccc2)ccc1O)[C@H](C)C(=O)OC(C)(C)C	781530264	XACYWZHOFJQZRC-QGZVFWFLSA-N	412.530	3.728	10	20	HHCD	
CN1Cc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc2C1	782897262	ZNJUXPGWVDEZAI-UHFFFAOYSA-N	407.514	3.638	10	20	HHCD	
CO[C@H]1Cc2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2C1	784106675	LYHUSDDMCYXSDR-QFIPXVFZSA-N	407.514	3.544	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2c[nH]nc2-c2ccccc2)cc1	784107925	CNQPBPUEPOSFCL-UHFFFAOYSA-N	403.486	3.821	10	20	HHCD	
Cc1ccc(Oc2ccccc2NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	785292884	BVJCLLPBGWMYJS-INIZCTEOSA-N	420.465	3.884	10	20	HHCD	
Cc1ccc(Cl)cc1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	786224468	JIWDJLWMFSENIM-UHFFFAOYSA-N	405.901	3.748	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)CCCC(N)=O	787029457	XGZBYLTXCRNHJP-KRWDZBQOSA-N	407.436	3.954	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1	788911010	MQQIYKALPHWUGD-LADGPHEKSA-N	419.569	3.821	10	20	HHCD	
COc1cccc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n1	790982618	VQWLALFZWYBSKD-IBGZPJMESA-N	400.523	3.512	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc21	791247444	YYZWBPCJAACYEL-IBGZPJMESA-N	423.513	3.501	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@]2(CCOC2)O1	792864728	MHNNKXIQKHMTDD-JPYJTQIMSA-N	401.551	3.545	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H](CO)Cc2ccncc2)cc1	793946585	DKPHECLWBXMBMD-IBGZPJMESA-N	403.486	3.896	10	20	HHCD	
Cc1cc(CC(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)c(C)n1-c1ccc(Cl)cc1	794311082	RDWKGAGIJXNKPB-ZHRRBRCNSA-N	402.922	3.696	10	20	HHCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F	795348538	OBTZHDUITONOOM-UHFFFAOYSA-N	409.769	3.652	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3c(Cl)ccc4c3CCO4)CC2)cc1F	797666968	OMJDGWRPNJVLBX-UHFFFAOYSA-N	405.857	3.777	10	20	HHCD	
CCc1onc(C)c1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800636310	IXCOLNQQWSHFAF-CYBMUJFWSA-N	418.925	3.690	10	20	HHCD	
C[C@H](NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1ccccc1O	800991776	BYYMUKJTIGHUIL-WMLDXEAASA-N	417.472	3.526	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCCCc2cccc(Cl)c2)C2CC2)cc1	803470537	ZGDARCGYWUNMHI-UHFFFAOYSA-N	413.949	3.646	10	20	HHCD	
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1	806169882	RXPITWGNMHLYAD-UHFFFAOYSA-N	421.288	3.922	10	20	HHCD	
Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	807292195	NVPQLUALNLRSBU-QHCPKHFHSA-N	403.526	3.741	10	20	HHCD	
CCN(C(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C)[C@@H]1CCS(=O)(=O)C1	918267970	WKQOEUCYNGLZLI-HXUWFJFHSA-N	402.560	3.867	10	20	HHCD	
COc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2cccnc12	920919846	CFOQMPFTWGHORK-MRXNPFEDSA-N	406.486	3.963	10	20	HHCD	
CCc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)N(C)C)cc1	920921755	RPPGPAMWPPAHJN-NTKDMRAZSA-N	424.589	3.749	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3n[nH]c(C(C)C)c3Br)CC2)cc1	1319397349	OCXGFQWZIDNXFP-UHFFFAOYSA-N	421.339	3.657	10	20	HHCD	
O=C(CCc1nc2ccccc2s1)NCc1ccc(N2CCC(CO)CC2)cc1	1323009135	NVTQYTASEJCDIG-UHFFFAOYSA-N	409.555	3.754	10	20	HHCD	
CC(C)(C)Oc1ccc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	1335128666	WFLPRUPUEFJINY-UHFFFAOYSA-N	411.546	3.742	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OCC4CC4)nc3)cc2F)C[C@@H](C)O1	1338396240	PXGFKZMHJGPVEA-IYBDPMFKSA-N	413.493	3.553	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	47345145	BZXGNEJTLMBUOE-UHFFFAOYSA-N	409.408	3.912	10	20	HHCD	
C[C@H](OC(=O)/C=C\c1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	96862956	CUKIATURLOPKNW-NYHXXUGCSA-N	415.401	3.639	10	20	HHCD	
COCCn1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc21	148510134	AJUTWUWUBUHAQK-GOSISDBHSA-N	407.514	3.615	10	20	HHCD	
CCCCOc1ccc(OC)cc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	472810611	WGEYACSQSJTWKU-UHFFFAOYSA-N	423.513	3.929	10	20	HHCD	
COc1ccc(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cc1OC	598798982	RYGNRURCUMREQC-UHFFFAOYSA-N	421.478	3.561	10	20	HHCD	
COc1ccc(N2CCCN(CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1	726597246	CFEZREXBUPPUMN-UHFFFAOYSA-N	403.567	3.854	10	20	HHCD	
COc1cccc(CNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1O	729859475	QJJSKZRNCXRIGH-UHFFFAOYSA-N	417.465	3.646	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1O	729859858	UXZOEKBLHFZYBD-OAQYLSRUSA-N	403.434	3.785	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(OCCC(=O)NC)cc2)cc1F	731399922	IRLHYKJYSLLXLH-UHFFFAOYSA-N	416.497	3.509	10	20	HHCD	
O=C(CN1CCN([C@@H]2CCC[C@H]2O)CC1)Nc1ccc(N=Nc2ccccc2)cc1	734485946	FUWWJHDRTHQXCU-FGZHOGPDSA-N	407.518	3.572	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1	742475797	ZDKJOPKJAPEMIM-HSZRJFAPSA-N	419.569	3.774	10	20	HHCD	
CC(C)n1cc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cn1	743046754	QBCDSFRHKICCHI-UHFFFAOYSA-N	414.459	3.990	10	20	HHCD	
CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cc(O)cs2)c2ccc(F)c(F)c2)c1	743735337	GBCWDWTTWGEUMK-GOSISDBHSA-N	423.462	3.655	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc(OC)c(OC)c1	743809583	YGZVSUFFCBTJPU-UHFFFAOYSA-N	408.292	3.763	10	20	HHCD	
CC(C)N(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(N(C)C)cc1	745261283	QAZKNGKIWKNDLI-UHFFFAOYSA-N	404.576	3.836	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C3CCN(c4nc5ccccc5o4)CC3)ccc21	746811882	RPAAIMMRIJOPMS-UHFFFAOYSA-N	404.514	3.743	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)NCCN(C)C)cc3)c2C)c1	747209889	GBHQBLRWUQXHSI-UHFFFAOYSA-N	418.541	3.946	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@H]3c3ccccc3)cc2F)C[C@@H](C)O1	748820372	QQGMGVYQELMHPM-HMFYCAOWSA-N	411.521	3.503	10	20	HHCD	
Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	748979704	CMFJWHMTPGAQJF-UHFFFAOYSA-N	421.497	3.523	10	20	HHCD	
COC(=O)c1cc(OC)c(S(=O)(=O)Nc2nc(-c3cccs3)cs2)s1	749007039	AGJPELBCJVVNEU-UHFFFAOYSA-N	416.527	3.529	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1	751362566	XBZSSYWJAPRGCL-UHFFFAOYSA-N	408.502	3.822	10	20	HHCD	
CCOCCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCOC1	752840206	QERMQIOBJSSJIF-FQEVSTJZSA-N	423.561	3.862	10	20	HHCD	
COc1cc(N2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)cc(OC)c1OC	759221992	SOEJGDRMOHXLST-UHFFFAOYSA-N	424.541	3.873	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](C)[S@@](=O)CC2)c(C)n1-c1ccc(F)c(Cl)c1	759871399	URUHOSWLPQUYRO-PWFNWSNSSA-N	410.942	3.912	10	20	HHCD	
CCCCn1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1CC	760454884	MQJGQMWIKPVKRY-SFHVURJKSA-N	418.969	3.999	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1F	762745294	IWVRFAAFNIMUBD-DFQSSKMNSA-N	421.557	3.786	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc1	764955287	DFYKDEZFZJUCJO-IBGZPJMESA-N	409.313	3.821	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1	769719369	HOJGGJVSCXTLLV-HXUWFJFHSA-N	410.495	3.894	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(F)c(Br)c1	771859946	LHMJJLBJHVIRKI-UHFFFAOYSA-N	413.630	3.916	10	20	HHCD	
CCCCn1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C	772059267	VULPNWODXRABFE-UHFFFAOYSA-N	424.467	3.777	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1)c1ccc(N(C)C)cc1	773628264	PTALKGCRGASIDQ-GJYPPUQNSA-N	404.555	3.758	10	20	HHCD	
CSc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C	775135429	BHKWZOZUMMQHNE-QGZVFWFLSA-N	414.527	3.569	10	20	HHCD	
CCCN(Cc1ccc(C)cc1)C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1	775255162	POFXZZZTVDWVOJ-NRFANRHFSA-N	409.574	3.921	10	20	HHCD	
C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(N2CCOCC2)cc1	775259305	RVKNQCRCDNJGQL-INIZCTEOSA-N	408.458	3.937	10	20	HHCD	
CC[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)ccc1O	775551277	LPMVWFFKGWXSOG-ROUUACIJSA-N	418.335	3.782	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cccc4cc[nH]c34)CC2)cc1	776063174	PHWHJPLSFQYFDI-UHFFFAOYSA-N	407.518	3.510	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)c1ccc(N(C)C)cc1	776243456	BUFDSSJIKCGTTC-KUHUBIRLSA-N	420.351	3.999	10	20	HHCD	
O=C(CCc1ncc(-c2ccccc2Br)o1)NCc1ccc(O)c(O)c1	778919692	JXLIPTKHBRTFDI-UHFFFAOYSA-N	417.259	3.764	10	20	HHCD	
CC(C)(C)OC(=O)NC1CCC(NCc2ccc(N3CCC(CO)CC3)cc2)CC1	779022350	AVHFPWKHSITBHY-UHFFFAOYSA-N	417.594	3.821	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N(CC)CC)cc2)nnn1Cc1ccc(F)cc1	782673817	WTRGHKKJJWFZCE-UHFFFAOYSA-N	409.509	3.804	10	20	HHCD	
CCOc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783318204	WBSOXPSMNGYNLI-UHFFFAOYSA-N	401.482	3.666	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1cccc(Br)c1	786960264	UETZRVHRAQKGMV-UHFFFAOYSA-N	411.365	3.867	10	20	HHCD	
CCCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	788327513	LQVHCOOJXWMSCI-UHFFFAOYSA-N	423.557	3.854	10	20	HHCD	
CCOc1ccc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788935184	BVAVHROKVYOBTJ-QHCPKHFHSA-N	421.541	3.665	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc(CN(C)C)c1	791247408	YGCPDVPYORBAGG-UHFFFAOYSA-N	411.546	3.750	10	20	HHCD	
Cc1ccn(-c2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2)n1	793037308	WVDYZMCIFIIGNQ-UHFFFAOYSA-N	419.529	3.622	10	20	HHCD	
COc1ccc(N2CCC(NCCCCn3cc(Br)cn3)CC2)cc1	793208082	WZSFSAHKYHABNH-UHFFFAOYSA-N	407.356	3.693	10	20	HHCD	
CN(CCC(=O)NCc1ccc(N2CCCCC2)cc1)C(=O)OCc1ccccc1	793239165	CYYVVSPGSKLDJA-UHFFFAOYSA-N	409.530	3.952	10	20	HHCD	
COc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c(Br)c1	796277109	CXOSLSHLEMLMJG-UHFFFAOYSA-N	423.326	3.848	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1F	796383484	QTUQBUZYQCKRKC-UHFFFAOYSA-N	403.479	3.575	10	20	HHCD	
CC[C@H](C)NS(=O)(=O)c1cccc(NCc2cccc(Br)c2O)c1	796431549	SJEGUTTYGQHIMZ-LBPRGKRZSA-N	413.337	3.844	10	20	HHCD	
Cc1cc(C(=O)NC2(c3nc[nH]n3)CCC2)c(C)n1-c1ccc(Br)cc1	797757687	LBDDALBOMOJVHS-UHFFFAOYSA-N	414.307	3.784	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(CCNC(C)=O)Cc2ccc(C)s2)cc1	800999156	VGXAYMZZPNGAHG-UHFFFAOYSA-N	416.591	3.751	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1	801810216	GKUHPPGYSWHBEQ-UHFFFAOYSA-N	412.421	3.818	10	20	HHCD	
CCn1c([C@@H](C)OCCOC)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	801930185	IAOJNGGKSBWETN-GOSISDBHSA-N	401.555	3.649	10	20	HHCD	
C[C@@H]1COCC[C@@H]1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	804619124	BRXYHNDBSJGBJR-PJMOXLGBSA-N	424.613	3.518	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c(C)c1OC	806549716	VVCXDFFAWJOWFI-BOPFTXTBSA-N	400.525	3.851	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1F	807672419	ZACBNNULRFXGJF-VLIAUNLRSA-N	403.473	3.866	10	20	HHCD	
CC[C@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1O	810212684	FEASAKQCMPEAFU-KRWDZBQOSA-N	416.465	3.571	10	20	HHCD	
Cc1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nc(N2CCCC2)n1	813856347	AXEGFGGDDWZMDD-UHFFFAOYSA-N	410.566	3.571	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1O	815567920	PWWIWIHEUKFRIH-AWEZNQCLSA-N	408.420	3.734	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cn2c(Br)cnc2s1	815591006	SFRHPVPUODLPOK-UHFFFAOYSA-N	403.352	3.527	10	20	HHCD	
COc1ccc(C)cc1CN1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	916588473	POQJYAIJKPTLIX-UHFFFAOYSA-N	422.573	3.631	10	20	HHCD	
O=C(c1ccc(OC[C@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	917364989	URTJJEBRZKXZHL-FCHUYYIVSA-N	411.498	3.771	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)sc2C)cc1	917850348	CBFXPNFAYHOJOS-UHFFFAOYSA-N	400.481	3.898	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc4ccccc4c3)cc2)C1	918025274	MYTFSDFDUUWKIG-FQEVSTJZSA-N	402.498	3.863	10	20	HHCD	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	918118111	VXUGRKLAHYCHLL-TYPHKJRUSA-N	414.594	3.792	10	20	HHCD	
CN(Cc1nc2ccccc2s1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918223765	LGMQEGQAHOMVBV-UHFFFAOYSA-N	414.506	3.614	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CSc3nc(-c4ccccc4)no3)CC2)cc1	1116582542	RTNDJVHONVPMEB-UHFFFAOYSA-N	424.526	3.576	10	20	HHCD	
C[C@H](NCc1ccccc1N1CCN(C)CC1)c1cc(Br)ccc1O	1116584750	LNHBBGCKQPJSPG-HNNXBMFYSA-N	404.352	3.757	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(-c4nnco4)cc3)ccc21	1322555790	RKZWQNGELLSFMB-UHFFFAOYSA-N	404.470	3.885	10	20	HHCD	
CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CC1	1821291157	UDMNHWCANVDKAM-CQSZACIVSA-N	418.881	3.580	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)n1	97529508	CFFDJOAJQPWZAG-UHFFFAOYSA-N	407.518	3.749	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O	211909268	WWCDRSUOPQLKAR-RIYZIHGNSA-N	406.416	3.854	10	20	HHCD	
COCCOC1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	303708826	YPUSYUVRPDMJJY-UHFFFAOYSA-N	403.567	3.793	10	20	HHCD	
Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	323001732	DDLKGXYAMWSVCU-UHFFFAOYSA-N	420.668	3.616	10	20	HHCD	
Cc1c(CNC(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)n(C)c2ccccc12	490410680	RLTUPCIOXXRZIC-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3sccc3S(C)(=O)=O)ccc21	525149811	VAGVJXQSTKNSMR-UHFFFAOYSA-N	406.529	3.622	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CC2)n(C)c2ccccc12	553106302	XXWFMPOIHSRYFV-UHFFFAOYSA-N	409.917	3.604	10	20	HHCD	
COc1ccc(NC(=S)NCc2ccc(N3CCC(CO)CC3)cc2)cc1F	726469090	ZGHDUJQOWUBWIK-UHFFFAOYSA-N	403.523	3.530	10	20	HHCD	
Cc1cc(C(=O)CN(C)CCS(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	728054998	VCSFFLBEUPHKNI-UHFFFAOYSA-N	417.358	3.560	10	20	HHCD	
CCOc1ccccc1[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)NC(C)=O	728267720	QTTPEVJBXZMRBG-QFIPXVFZSA-N	409.530	3.569	10	20	HHCD	
COc1cccc(O)c1CNC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1	728774673	VMGNVJSNGXSMPS-LJQANCHMSA-N	404.938	3.996	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1nc(C(C)(C)C)cs1	729506732	OYTXEDLMZZIMKL-UHFFFAOYSA-N	416.591	3.661	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nn(-c3ccccc3)cc2C)cc1	730385638	IAELXYJGARNIES-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1nnc2n1CCCCC2	731037005	WMKREEZYDFPSEC-UHFFFAOYSA-N	411.550	3.982	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1	734017645	TUPTZMQCVGTTBH-UHFFFAOYSA-N	405.863	3.513	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Oc2nccs2)c1	736470260	SVRSVRZAJCFZLK-UHFFFAOYSA-N	413.474	3.841	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1	736657019	OPHZGOODBJWEOB-UYAOXDASSA-N	411.521	3.998	10	20	HHCD	
CCOc1ccc(N(C)CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1	740423300	FBABBAMQIJCCEU-UHFFFAOYSA-N	423.435	3.637	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCC[C@@H]3CCC[C@H]31)c2[N+](=O)[O-]	741984042	IVCZHPBZKGLURR-SCLBCKFNSA-N	404.422	3.775	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)CCC(=O)N2	743809436	WAOAPVUHZMHBFZ-UHFFFAOYSA-N	403.276	3.702	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCc1ccc(C)cc1	743870780	AXHZEQWVXKHDJE-HNNXBMFYSA-N	405.336	3.990	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1	745409396	SAHMNQNTBOVIFR-OALUTQOASA-N	404.599	3.560	10	20	HHCD	
O=C(NCc1cccc(Cl)c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748013442	QJSAHIPWQIEEHP-UHFFFAOYSA-N	422.915	3.838	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1	748981061	TWNPLELUPZMNRS-UHFFFAOYSA-N	413.493	3.810	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cc3ccccc3nc2O)cc1	751406711	RGKNYHJYAJPXSJ-QFIPXVFZSA-N	419.525	3.757	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc(Cl)n1	752719059	GGFMZAPDNOSPCH-UHFFFAOYSA-N	414.815	3.912	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCSc4ccccc43)CC2)cc1F	753834165	RKFAIGXGPHNSTM-GOSISDBHSA-N	401.507	3.903	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccccc3CCC(F)(F)F)CC2)cc1	756812473	KYMZTFSNTYOHFX-UHFFFAOYSA-N	421.463	3.951	10	20	HHCD	
C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)CCC1CCOCC1	757839491	LRTUCWJCHORFDR-MRXNPFEDSA-N	420.509	3.538	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(-c2ncco2)ccc1C	758962720	IWENRMAHSKRZOB-UHFFFAOYSA-N	406.486	3.703	10	20	HHCD	
COc1cc(N2CCN(C(=O)CCc3ccccc3Cl)CC2)cc(OC)c1OC	759221428	QGFUYYNMMSUNMO-UHFFFAOYSA-N	418.921	3.647	10	20	HHCD	
CCCCCC[C@]1(C)NC(=O)N(Cc2ccc(N3CCC(O)CC3)c(F)c2)C1=O	761100249	QEAHBSCIVMQOCR-QFIPXVFZSA-N	405.514	3.568	10	20	HHCD	
O=C1N[C@@H](c2ccc(Cl)c(F)c2)C(=O)N1Cc1ccc(N2CCSCC2)cc1	761101040	SAGUKRAJSXUNQL-SFHVURJKSA-N	419.909	3.825	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)c3noc(-c4ccccc4)n3)CC2)cc1	761794640	AXXDVYUUUDUZHG-QGZVFWFLSA-N	421.501	3.728	10	20	HHCD	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2ccc(O)c(O)c2)cc1	762261609	PDRYXYBJBUVHCB-UHFFFAOYSA-N	424.409	3.779	10	20	HHCD	
C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1CCOCC1	762400025	WWVRDTMYPCWECS-WIOAZZGGSA-N	424.613	3.661	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H](Cn1cccn1)c1ccccc1	765513305	JJSUALLOCULTLE-KRWDZBQOSA-N	415.291	3.592	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H](CO)Cc1ccc(F)cc1	766596453	TZWUIHBSDIVYAB-OAQYLSRUSA-N	420.444	3.899	10	20	HHCD	
COc1cc(CN2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c(O)cc1C	768447970	SCZIRYWAXOYRRN-OAHLLOKOSA-N	414.531	3.700	10	20	HHCD	
COc1ccc(-c2noc([C@H](C)N[C@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1	768500631	UBTDGWVEDAXOJU-SJORKVTESA-N	408.502	3.994	10	20	HHCD	
CC1(C)OCc2cc(CNCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2O1	768684713	BNWNBRAEXFUWCR-UHFFFAOYSA-N	400.494	3.722	10	20	HHCD	
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)o1	768982112	JYLZJRNMDHZESG-QGZVFWFLSA-N	400.822	3.945	10	20	HHCD	
C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1ccc(N2CCC(O)CC2)c(F)c1	769683240	CFDVRSMROJYTBE-HZPDHXFCSA-N	409.546	3.568	10	20	HHCD	
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	769899200	HHGBLIPPDKESEP-YWZLYKJASA-N	402.516	3.686	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)c2)CC1	770149516	ZNQYVHBQGOBXSX-UHFFFAOYSA-N	420.557	3.593	10	20	HHCD	
CCCCC[C@H](C)Cc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	771065934	HAJZVMRWOIUXOF-SFHVURJKSA-N	414.550	3.728	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(OC[C@@H]2CCCO2)cc1	771878688	LVJQMRFEGUFPNA-SFHVURJKSA-N	416.861	3.572	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2	772797055	BZXOCPCVPYJQLH-GFCCVEGCSA-N	421.291	3.733	10	20	HHCD	
COc1cc(SC)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	772948110	YQLCNJRABYUBSP-UHFFFAOYSA-N	413.543	3.613	10	20	HHCD	
C[C@H](NC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(N(C)C)cc1	773614655	BNWKBKDIZMUBIL-KRWDZBQOSA-N	412.509	3.510	10	20	HHCD	
C[C@@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccc(N(C)C)cc1	775361226	BTBFCNKEUGTCRO-GOSISDBHSA-N	417.981	3.968	10	20	HHCD	
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccc(N(C)C)cc1	775405775	VBDUCPIESZIQDK-OAHLLOKOSA-N	417.465	3.633	10	20	HHCD	
COc1ccc(O)c(CN2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1	775653655	LRRRJNZINOCIES-QGZVFWFLSA-N	408.502	3.638	10	20	HHCD	
CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1nc(-c2ccncc2)no1	776132767	TWLTXVHFMASPII-DNVCBOLYSA-N	408.506	3.955	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1OC	776176110	YWEMUSOLADQEME-QGZVFWFLSA-N	408.901	3.956	10	20	HHCD	
COC(=O)c1ccc2c(c1)C(=O)N(CN(C)Cc1ccc(N3CCCCC3)cc1)C2	776752196	JQBDORJSTVQEGU-UHFFFAOYSA-N	407.514	3.509	10	20	HHCD	
C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(N2CCOCC2)cc1Cl	776818846	HCMKYAHPPJQOKV-MRXNPFEDSA-N	417.937	3.817	10	20	HHCD	
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	777264708	GKLHMKCKUSYZLX-IEBWSBKVSA-N	416.566	3.684	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	777751737	FPKKDRAQSFFZLU-SFHVURJKSA-N	419.884	3.912	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1F	788931169	XKVMYSFLXSBPJH-NRFANRHFSA-N	415.484	3.839	10	20	HHCD	
C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)Cc1ccc(N2CCN(C)CC2)cc1	789767487	AWKXABKIWYAXSV-IBGZPJMESA-N	408.546	3.588	10	20	HHCD	
COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1OC	790067513	FTKADKWFROHIBP-UHFFFAOYSA-N	413.879	3.567	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cn1	790108553	UDAGOPHPNWACID-CGHNEKJTSA-N	405.589	3.944	10	20	HHCD	
CCCC1CCC(N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1	790235793	BDSCYHFDAOVJDX-CKHPTIKVSA-N	414.594	3.889	10	20	HHCD	
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cc(Br)cc(OC)c1O	793607426	DOLMEWGQTKIXRT-GUYCJALGSA-N	422.319	3.673	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1	794874626	HMAJTHNJPPVCRY-UHFFFAOYSA-N	410.289	3.892	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2OCc2ccccc2)c(O)c1	797390390	VNOJIHWOIOMPBG-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
CCC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	800049006	KEYXNANOTUMZQV-AEFFLSMTSA-N	405.970	3.841	10	20	HHCD	
CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(N2CCCCC2)cc1	800708999	COINXRSGYRLBLH-UHFFFAOYSA-N	417.351	3.905	10	20	HHCD	
CC(C)(C(=O)NCCCSc1nccs1)S(=O)(=O)c1ccc(Cl)cc1	806851838	YVEMHUHWWRHEKT-UHFFFAOYSA-N	418.993	3.647	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1	807680627	UWBZXAGCZGUAMO-QHCPKHFHSA-N	417.509	3.740	10	20	HHCD	
CS(=O)(=O)Nc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1Cl	807837515	STTLNAPLIDTIST-UHFFFAOYSA-N	423.705	3.654	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)C2CC2)cc1	809195427	JNOZHKZAQLFPEE-FPOVZHCZSA-N	423.532	3.835	10	20	HHCD	
CC(C)(C)OC(=O)NCC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1	809723290	FPZIXNZDVHAECF-HXUWFJFHSA-N	403.567	3.793	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c(C)c1CC(=O)O	811703992	OFXJRVXFMVMGMR-UHFFFAOYSA-N	421.515	3.670	10	20	HHCD	
CCOc1ccc([C@@H](O)C2CCN(Cc3ccc(N4CCN(C)CC4)cc3)CC2)cc1	812777215	ZKIYRVOUTXTWGG-AREMUKBSSA-N	423.601	3.783	10	20	HHCD	
S=C(NCCSc1ccccc1)NCc1ccc(N2CCSCC2)cc1	916027892	SBAMOMMLSWGCRY-UHFFFAOYSA-N	403.642	3.996	10	20	HHCD	
COc1cccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	916457609	IBICSWZZYNPCEE-UHFFFAOYSA-N	422.447	3.800	10	20	HHCD	
O=C(Nc1cc2c(cc1Cl)OCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1	916673453	QWZZWAPFVAOLQZ-AWEZNQCLSA-N	404.850	3.987	10	20	HHCD	
COc1ccc(CN2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)cc1F	918066463	XJEDZQYDJVCPIX-UHFFFAOYSA-N	402.510	3.861	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)cc1	1319871928	WDQKDJYFRKVZHM-UHFFFAOYSA-N	401.488	3.678	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc[nH]3)C2)cc1	1844408170	MTILMBNILJQMKD-UHFFFAOYSA-N	402.498	3.553	10	20	HHCD	
Cc1noc(N)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	16326667	XNNWGTICXHIYFS-UHFFFAOYSA-N	419.384	3.614	10	20	HHCD	
Cc1cc(C(=O)COc2cccc(S(C)(=O)=O)c2)c(C)n1-c1cccc(F)c1	47364900	APLDDDZKTMUXQC-UHFFFAOYSA-N	401.459	3.898	10	20	HHCD	
COC(=O)[C@H](CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)Cc1ccc(O)cc1	97570673	RDDYYAVLHLBCNS-FQEVSTJZSA-N	420.509	3.870	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)c1	109606040	NFCIYSFTIAONLG-UHFFFAOYSA-N	416.543	3.593	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H](c2ccccc2)O1	149611475	MHDAYRLDMBJEKY-AVRDEDQJSA-N	411.571	3.911	10	20	HHCD	
CCc1cc(O)nc(-c2ccc(N[C@H](C)c3ccc(N4CCOCC4)cc3)nc2)n1	301174433	LOSGTQQHZSODHZ-MRXNPFEDSA-N	405.502	3.816	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN[C@@H](c4cccc(F)c4)C3)ccc21	505549159	IZDISGAIKABOBK-JOCHJYFZSA-N	409.505	3.830	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C(=O)OC)c(OC)c3)ccc21	510089824	YHLLZNLAJNTQIT-UHFFFAOYSA-N	424.497	3.630	10	20	HHCD	
C[C@H]1CN(c2ccccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)C[C@@H](C)O1	542014894	LJSWJSHIDISBCH-CALCHBBNSA-N	410.518	3.797	10	20	HHCD	
O=C(CCOc1ccccc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565056	YMAXBFUTHXXGHI-UHFFFAOYSA-N	408.420	3.981	10	20	HHCD	
CCN(CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1C	726610396	FFBMBCZHNMRTMJ-UHFFFAOYSA-N	410.562	3.798	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	727177273	YOXDNJLSNCDHNA-AWNIVKPZSA-N	413.307	3.940	10	20	HHCD	
O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1c1ccc(Cl)nc1	727177519	LOXWRIPQLJCXMZ-MKMNVTDBSA-N	417.878	3.861	10	20	HHCD	
CCOC(=O)c1nc(COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cs1	728639711	SVKBLELPHISZKF-UHFFFAOYSA-N	416.499	3.895	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCC(=O)N3CCCCCC3)cc2)CC1	731116049	JISLAPPSFPUTGQ-UHFFFAOYSA-N	400.567	3.515	10	20	HHCD	
Cc1nn(C)c(Cl)c1CS(=O)(=O)CC(=O)c1cc(C)n(-c2ccccc2)c1C	731750520	SACGBSKRDSJQED-UHFFFAOYSA-N	419.934	3.587	10	20	HHCD	
CSC[C@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	736050639	FPAUKMPGJPFVQM-GJSJWPQCSA-N	400.616	3.597	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)c2)CC1	739764623	BPJVHMXXNYPNKC-UHFFFAOYSA-N	409.383	3.799	10	20	HHCD	
O=C(NCC[S@@](=O)Cc1ccccc1)N(Cc1ccco1)Cc1ccccc1O	741418541	GWSOQQLEIFACRX-GDLZYMKVSA-N	412.511	3.646	10	20	HHCD	
CCC(=O)N[C@@H](CCSC)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	742416267	SNHGGMVXHUVWOC-FQEVSTJZSA-N	405.608	3.720	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)NC(=O)OC(C)(C)C)cc1	742754295	OOOOBRWWUGFNAK-IBGZPJMESA-N	401.482	3.888	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3cccc(Cl)c3C)CC2)cc1	743279408	ZGDSTVAFESCBKK-UHFFFAOYSA-N	402.926	3.601	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3C[C@H](C)C[C@@H]3c3cccc(F)c3)CC2)cc1	743854827	OAANTFPCSMLJHS-WZONZLPQSA-N	411.521	3.566	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1	745847515	OMTLFDGVYLKARA-DYVFJYSZSA-N	417.893	3.610	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(C)cc(F)c3)n2)cc1	747859094	VSLWMOYVMCHTCQ-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)N3CCC[C@@H]4CCCC[C@@H]43)cs2)cc1	751938395	ZUERNNOCTBIJTP-LPHOPBHVSA-N	413.543	3.654	10	20	HHCD	
Oc1cc(OCc2ccccc2)ccc1CNC[C@@]1(O)CCN(Cc2ccccc2)C1	753565560	GDEWBAOGMAOECD-SANMLTNESA-N	418.537	3.698	10	20	HHCD	
Cc1cccc(-n2ccnc2SCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C	753635716	HSYPUSHSPSVWJS-HNNXBMFYSA-N	411.527	3.740	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)cc1	754638689	CXAQMYSQGPAIJP-IBGZPJMESA-N	418.559	3.572	10	20	HHCD	
C[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)C(=O)NC(C)(C)C	756488255	MGDMLONEUXYILB-IUCAKERBSA-N	422.161	3.871	10	20	HHCD	
CCc1cc(N2CCC[C@H](N[C@H](C)c3cc(Br)cc(F)c3O)C2)ncn1	756713775	YPRVEHWYBROTFR-DOMZBBRYSA-N	423.330	3.966	10	20	HHCD	
C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[C@H]1NC(=O)OC(C)(C)C	759603063	PUHPDKURZCPNLL-ZIAGYGMSSA-N	414.597	3.570	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H]3CN(Cc4ccccc4)CCCO3)CC2)cc1	760014734	BZOQYSKIGORTOY-VWLOTQADSA-N	409.574	3.545	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1	761649236	QVQMLHFDZUKXCV-IRXDYDNUSA-N	421.501	3.695	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1[nH]c2ccc(Br)cc2c1Cl	762264461	YGYMXRUKIUGJAY-UHFFFAOYSA-N	409.667	3.968	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1	766011966	QWKBDNYJNDIBOO-FUHWJXTLSA-N	407.530	3.712	10	20	HHCD	
C[C@H]1CN(c2ccc(CNCc3cncc(Br)c3)cc2F)C[C@H](C)O1	767173017	VRMRSPROAQMZDB-KBPBESRZSA-N	408.315	3.887	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNCc3cncc(Br)c3)cc2F)C[C@@H](C)O1	767173019	VRMRSPROAQMZDB-ZIAGYGMSSA-N	408.315	3.887	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(Oc4cnccn4)c3)c2)CC1	770149488	XYGSYKMHBYIGHV-UHFFFAOYSA-N	403.486	3.663	10	20	HHCD	
COCCCOc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	773090778	FAGCJPQUYHTTFP-SFHVURJKSA-N	402.510	3.928	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N(C)C)cc1	773613443	QUELMYFLLGADFH-IFXJQAMLSA-N	400.910	3.572	10	20	HHCD	
O=C(CCCc1nccs1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	773822469	HMCCHGSTYVAXKV-UHFFFAOYSA-N	413.465	3.638	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(C(=O)NCc4ccccc4)cc3)cc2)CC1	775186006	YVGJKSQHEIMZRG-UHFFFAOYSA-N	414.553	3.981	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	775454145	MWASCRWFJDPXRO-MRXNPFEDSA-N	418.563	3.664	10	20	HHCD	
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776250510	UTXBQCKCGDWKLV-CVDCTZTESA-N	409.578	3.905	10	20	HHCD	
CCOC(=O)N1CCC([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	779068389	QQAHLSSCIIDIOS-IAGOWNOFSA-N	407.530	3.570	10	20	HHCD	
CCOc1ccc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(O)c1	779191362	QLCWRVHEERDJTB-INIZCTEOSA-N	404.532	3.524	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(-c2ccccc2)ns1	784719703	GJXZJNVJSRAPED-UHFFFAOYSA-N	407.495	3.649	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1	785296094	BMLFHVJDWDMZRN-ZDUSSCGKSA-N	402.516	3.674	10	20	HHCD	
O=C1C[C@@H]([C@H]2CCCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CN1	785298694	LZWPSRFRTYTJCV-OXQOHEQNSA-N	419.485	3.558	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)Sc2n[nH]c(CO)n2)c(C)n1-c1ccc(OC(F)F)cc1	787486697	QZEOPACWIPEZBB-LBPRGKRZSA-N	422.457	3.669	10	20	HHCD	
CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1	787872149	SOZBCZUXUBMGEE-OAQYLSRUSA-N	411.546	3.767	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cc1F	788239778	AJHQYAPVAMUWTO-LJQANCHMSA-N	403.473	3.551	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(OC)c1	790912182	ZKAYQBPSNYOTHO-UHFFFAOYSA-N	423.435	3.767	10	20	HHCD	
Cc1nc2ccc(Br)cn2c1C(=O)N(C)Cc1ccc(N(C)C)cc1	792878275	OZTUBWSTWPOSRU-UHFFFAOYSA-N	401.308	3.743	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1Br	798416481	OHLMABDUVGFCKJ-SNVBAGLBSA-N	423.223	3.663	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)cc1	799242197	ZHUZJVUTQNQMCT-QFIPXVFZSA-N	424.545	3.772	10	20	HHCD	
COc1cc(Br)cc(CN[C@H]2CCN(C(=O)Nc3ccccc3)C2)c1O	800902062	TUTIDELNLHSFHD-INIZCTEOSA-N	420.307	3.559	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(F)(F)C1	802543771	RLUYQFYPBVSRKR-UHFFFAOYSA-N	401.461	3.844	10	20	HHCD	
CCOc1ccc(CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C(C)C)cc1	803688056	KGUQSPUWXRBQHB-UHFFFAOYSA-N	423.557	3.521	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C)cc1O[C@@H](C)CC	807862410	PISOZLBQEIODKR-SFHVURJKSA-N	412.530	3.933	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C1=Cc2ccccc2OC1	807929853	DWROOARWKXIQHE-UHFFFAOYSA-N	408.498	3.851	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C)c1I	808095010	OKEPOPDTCPRUCR-UHFFFAOYSA-N	416.255	3.721	10	20	HHCD	
C[C@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)c1ccc(N2CCOCC2)cc1	808245631	RALCWWYMKNBHTC-SFHVURJKSA-N	409.530	3.967	10	20	HHCD	
CCO[C@@H](CCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)C(C)C	809138467	DEBXHLPXDRDXOG-NRFANRHFSA-N	404.551	3.621	10	20	HHCD	
CCS[C@@H]1CCC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)C1	809235524	LDPGZSVGUHZVDD-UYAOXDASSA-N	405.608	3.672	10	20	HHCD	
COc1cc(O)c(CNC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)cc1OC	809789685	YZFJMDOSWJETMX-WKILWMFISA-N	408.539	3.830	10	20	HHCD	
CCC(CC)(CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)OC	813586062	OCJMEYBQJUVEIQ-UHFFFAOYSA-N	417.472	3.546	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2C(=O)N[C@H](CC)C2=O)c1	821451124	MTYAWZXHSKZNAL-GOSISDBHSA-N	410.474	3.671	10	20	HHCD	
CCOc1ccc(N2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CC2=O)cc1	914438506	BNWPPWKHFXOLCP-IBGZPJMESA-N	421.541	3.695	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCOc1ccc2ccccc2c1	914910710	DFLJCYYJKYYGMI-UHFFFAOYSA-N	420.509	3.877	10	20	HHCD	
CCNC(=O)COc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	916678043	CNGBFBOGYNXSHB-UHFFFAOYSA-N	423.469	3.734	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=S)NCCc3ccccc3)cc2F)C[C@@H](C)O1	917580569	BOXDBUCQVXQIMM-CALCHBBNSA-N	401.551	3.646	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl	918294595	HLJHWLMLASQOAK-QGZVFWFLSA-N	402.878	3.500	10	20	HHCD	
COc1cc(Br)c(OC)c(C(=O)NCCCSc2nccs2)c1	1251856503	LSJYRTFHEUFZAJ-UHFFFAOYSA-N	417.350	3.835	10	20	HHCD	
CCCN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1nc(O)c2sccc2n1	1254166509	XEHUOJYPFWEFHP-UHFFFAOYSA-N	411.575	3.561	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	1318311071	WZEOIUMTBCQDQD-WJDWOHSUSA-N	409.785	3.970	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3Cc3cccnc3)cc2)CC1	1321732937	JPGYPHTURWTKGN-XMMPIXPASA-N	406.574	3.989	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2ccccc2C)CCCC1	1324101739	UJDUDIBPISNIIN-IBGZPJMESA-N	411.498	3.509	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(Oc4cnccn4)c3)CC2)cc1	1341407658	YLLLQVIIPXIYEU-UHFFFAOYSA-N	404.470	3.630	10	20	HHCD	
CN(c1ccccc1)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1[N+](=O)[O-]	26763634	ZFXSAURMPVLCDY-RGEXLXHISA-N	424.482	3.665	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1	65016298	MMJDHLDRXFWKLH-UHFFFAOYSA-N	417.435	3.957	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)c2C)c1	71923784	IJYGCQGZOVDMAS-UHFFFAOYSA-N	416.437	3.904	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)CC2)cc1	109291528	DEFQPFPBFWZVCX-FQEVSTJZSA-N	417.550	3.524	10	20	HHCD	
Cc1ccc(Br)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	327362172	ITNOVLILDUUFRK-UHFFFAOYSA-N	407.283	3.663	10	20	HHCD	
Cc1nn(C)c(C)c1[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)C(F)(F)F	469928092	KVMSTTHOLORGGF-GOSISDBHSA-N	407.440	3.940	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(-c4nc(=O)o[nH]4)cc3)ccc21	483603786	DQQJSWFILOWPFT-UHFFFAOYSA-N	406.442	3.500	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)Oc3ccc(CCC(C)=O)cc3)CC2)cc1	726561903	YLEWOPDPLADOKR-LJQANCHMSA-N	424.541	3.769	10	20	HHCD	
COCCn1cc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c2ccccc21	726562729	PBMUFEJMPQDVSS-UHFFFAOYSA-N	407.514	3.695	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc(OC)c1OC	727175878	BZAKTALMAORWGW-YBEGLDIGSA-N	424.588	3.501	10	20	HHCD	
Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1C(N)=O	727594383	FRMKUMCSOVKGMS-UHFFFAOYSA-N	406.486	3.987	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c1	729062670	UNVCBZSFPFAJPX-HNNXBMFYSA-N	421.453	3.712	10	20	HHCD	
CC(=O)Nc1cccc(OCCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731048580	NNPVSQLKZJCGSJ-UHFFFAOYSA-N	424.545	3.760	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCc1c(OC)cc(OC)cc1OC	731283417	KHCNMHJBWPGYBJ-UHFFFAOYSA-N	402.491	3.582	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CCSC)cc2)cc1F	731408663	UCDYTCCWELWKIQ-UHFFFAOYSA-N	417.550	3.832	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	734526912	XMPSVRSRJDCQLS-CTNGQTDRSA-N	408.546	3.552	10	20	HHCD	
CS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1	735378265	BSFAOCIUEIDECB-UOVPBQLFSA-N	409.571	3.913	10	20	HHCD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	736075865	ALAKSYJECQBEOP-KNQAVFIVSA-N	414.594	3.759	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)N1CCc2ccccc2C1	740904283	XQSNNGDLXOCEME-UHFFFAOYSA-N	404.558	3.699	10	20	HHCD	
O=C(Nc1ccn(Cc2ccncc2)n1)N(Cc1ccco1)Cc1ccccc1O	743165102	BTGRBFMCZQINFN-UHFFFAOYSA-N	403.442	3.859	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)c2cc(O)cs2)c2cccc(S(C)(=O)=O)c2)cc1	743753456	JQBRUZIXRMHOGD-LJQANCHMSA-N	401.509	3.685	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCCc1cccs1	743871111	RFUCPUBZBLENQS-CYBMUJFWSA-N	411.365	3.786	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2Cc1nnc(-c2ccccc2Br)o1	746493134	RIHRQDTUKLTGDO-UHFFFAOYSA-N	415.291	3.964	10	20	HHCD	
CN(C)c1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1	751058779	KLZOSDVJHYPIKD-UHFFFAOYSA-N	417.512	3.573	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cn(-c2ccccc2Cl)nn1	751302762	PZUUYFOADJNFHA-UHFFFAOYSA-N	415.844	3.883	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1Cl	753882750	HKVGUQCEOQQOIM-UHFFFAOYSA-N	421.856	3.628	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cccc(CCC(F)(F)F)c1	754205381	QTENKDUNLRBFHO-UHFFFAOYSA-N	417.478	3.875	10	20	HHCD	
C[C@H](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)NC(=O)C1CCCCC1	754541218	FQBNQWWFYHWLLG-OAHLLOKOSA-N	418.493	3.876	10	20	HHCD	
C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	756391098	JYDYXYMGURDPPO-NSHDSACASA-N	403.331	3.800	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@@H]3C[C@H](C)c4c(F)ccc(O)c43)CC2)cc1	756393184	QCRYLYBEBVVNEO-HNAYVOBHSA-N	418.534	3.831	10	20	HHCD	
Cn1cc(-c2ccccc2CNC(=O)NCc2ccc(N3CCSCC3)cc2)cn1	758715108	LBENRFLMOAJVKW-UHFFFAOYSA-N	421.570	3.640	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	758729935	QXIPAZAKAVHNOF-NVXWUHKLSA-N	422.545	3.727	10	20	HHCD	
COc1cc2c(cc1CNCc1ccc(N3CCOCC3)cc1C(F)(F)F)OCO2	759133713	DBGCRENTVWIEDK-UHFFFAOYSA-N	424.419	3.569	10	20	HHCD	
COc1ccc(Cl)cc1CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759873134	QDSHOSCVXJHKBR-UHFFFAOYSA-N	406.910	3.697	10	20	HHCD	
CC(C)Oc1ccc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	760998397	DDXJWMDMYKQRFX-UHFFFAOYSA-N	402.878	3.840	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	764093905	KUHCBADEPQLUBN-CYBMUJFWSA-N	406.477	3.907	10	20	HHCD	
CC(C)Oc1cccc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	766062460	ZKHIBWWZYRMHGN-GAJHUEQPSA-N	402.510	3.834	10	20	HHCD	
COc1cccc(-c2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)n[nH]2)c1	767975510	GRMUAOXYBRIKLB-IBGZPJMESA-N	407.470	3.612	10	20	HHCD	
COc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(SC)cc1OC	768207377	GQVAQKHGBTXNPR-UHFFFAOYSA-N	402.560	3.894	10	20	HHCD	
COc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CCO2	768529475	OSTRUVYPRHCOBV-QUCCMNQESA-N	412.486	3.615	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2O)cc1	769282083	IWUOSDWQBXEDKG-UHFFFAOYSA-N	410.495	3.774	10	20	HHCD	
Cc1cc(C(=O)CN(CCS(C)(=O)=O)C(C)(C)C)c(C)n1-c1cccc(F)c1	770215112	AVSXFUJVYYZEIX-UHFFFAOYSA-N	408.539	3.561	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1	770350702	ICIPOMPECJXVSP-WIYYLYMNSA-N	403.567	3.791	10	20	HHCD	
C[C@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1)c1ccc(N(C)C)cc1	773631970	ZSAIXJDBGQGGAB-ZDUSSCGKSA-N	419.323	3.514	10	20	HHCD	
CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2C1	773845344	HMVOMKXIWUPGCM-QZTJIDSGSA-N	422.573	3.929	10	20	HHCD	
CNC(=O)c1cc(Oc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc2C)ccn1	779532789	WHCBAIUXDGVGPM-YVMONPNESA-N	419.437	3.605	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc3[nH]ccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1	783043869	DDBKKTODVZORAV-UHFFFAOYSA-N	412.396	3.616	10	20	HHCD	
Cc1ccc(Oc2ccccc2NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	785292886	BVJCLLPBGWMYJS-MRXNPFEDSA-N	420.465	3.884	10	20	HHCD	
Cc1cccnc1C(F)(F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	787272287	SPALLOWQNPMHOZ-LJQANCHMSA-N	403.473	3.756	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@H]1CCCc2ccccc21	788486813	YXUDTMNCUQAJQQ-JOCHJYFZSA-N	419.569	3.872	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C(C)C)[C@@H](O)c3ccccc3)CC2)cc1	788958499	YSWUCKLGOWQPAT-GOTSBHOMSA-N	411.546	3.721	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCOc3c(Br)cccc3C2)cc1	791995373	CAVMGUFQNMQCTH-UHFFFAOYSA-N	404.308	3.619	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@H]2CCN(Cc3ccccc3)C2)c1O	793207596	PPPHNTIDECFADL-INIZCTEOSA-N	405.336	3.775	10	20	HHCD	
COc1ccc(CNC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1	794380369	BABQAEYIYCPOLA-WBVHZDCISA-N	406.523	3.690	10	20	HHCD	
COc1ccc(CNC(=O)CCOc2ccc(Cl)cc2Br)c(O)c1	794391524	ZAHLFOIZMSGWEH-UHFFFAOYSA-N	414.683	3.902	10	20	HHCD	
COc1ccc(N2CCN(S(=O)(=O)c3csc4ccccc34)CC2)cc1F	795878949	AGQQPROOPPSUFN-UHFFFAOYSA-N	406.504	3.560	10	20	HHCD	
Cc1nc(O)c(Br)cc1C(=O)N(Cc1ccco1)Cc1ccccc1O	797188659	ILUQWYPVDJXSIZ-UHFFFAOYSA-N	417.259	3.999	10	20	HHCD	
O=[N+]([O-])c1cnc(Sc2nnc(-c3cnccn3)n2-c2ccc(Cl)cc2)s1	799944401	XELSCVZIZCDLEA-UHFFFAOYSA-N	417.863	3.894	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1ccccc1C(F)(F)F	801549396	MMCUCLHBZWWKNK-UHFFFAOYSA-N	408.420	3.970	10	20	HHCD	
CCC(=O)c1ccc(N(C)Cc2ccc(N3CCCCC3)cc2)c(S(N)(=O)=O)c1	804332844	CFGJQWBBWMUELD-UHFFFAOYSA-N	415.559	3.553	10	20	HHCD	
CCS[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	805019800	KHJDBXPLXXMIFY-PZJWPPBQSA-N	417.619	3.720	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CN(C(=O)OC(C)(C)C)C1	806423812	WQFXKXNPIACGCF-MRXNPFEDSA-N	401.551	3.747	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1)c1ccc(N(C)C)cc1	807674400	KJAZDQRVFSTOHQ-XFQAVAEZSA-N	409.530	3.837	10	20	HHCD	
O=C(NC[C@H]1COc2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1	808370323	QZKFIZJHVVWXAV-HNNXBMFYSA-N	417.456	3.732	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1	810316837	WALPZZQADDPSRY-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
O=C1NC2(CCCC2)C(=O)N1c1cccc(CNCc2cc(Cl)cc(F)c2O)c1	811515770	HHEGGNNNLQHCJR-UHFFFAOYSA-N	417.868	3.844	10	20	HHCD	
CCOC1(C)CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	813590333	KSZZVNJWTWFSIL-IRXDYDNUSA-N	407.530	3.540	10	20	HHCD	
C[C@H](c1ccccc1)[C@@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C(N)=O	813608159	CSDGTNZDZNQUDF-WZONZLPQSA-N	422.573	3.912	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(-c2ncc[nH]2)c1	815797138	CWSBWTXDGVGDHW-UHFFFAOYSA-N	401.264	3.602	10	20	HHCD	
COc1ccc([C@H](CNCc2ccc3ccccc3c2O)N2CCOCC2)cc1OC	816529957	NIVRHLMORAASOK-QFIPXVFZSA-N	422.525	3.726	10	20	HHCD	
O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	912757952	RJHCFPQAERGSND-MHWRWJLKSA-N	421.409	3.658	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)N[C@H](c2ccccc2)C2CC2)c(C)n1-c1ccccn1	914904266	ZFPKSGADYAUHHU-HSZRJFAPSA-N	403.482	3.913	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H](c1ccccc1)C(F)(F)F	918209893	RFRVTHDMFWAOFT-FQEVSTJZSA-N	421.463	3.998	10	20	HHCD	
CCN(CC)Cc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	920921206	VTLUGNAIULJXQP-FQEVSTJZSA-N	424.589	3.925	10	20	HHCD	
Cc1cc(NC(=O)NCCCSc2nccs2)ccc1N1CCN(C)CC1	1319089772	KGDKEMISBOICBA-UHFFFAOYSA-N	405.593	3.507	10	20	HHCD	
Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2c(C)cccc2n1	1321721219	IFCRSWDASQCWIU-UHFFFAOYSA-N	423.488	3.523	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)cc1	24187404	WNNOEQRZWFYDBH-INIZCTEOSA-N	418.563	3.548	10	20	HHCD	
CC(=O)Nc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1F	141727761	UXRINFVXOYWCEH-CQSZACIVSA-N	400.454	3.503	10	20	HHCD	
C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1	145500631	HFVWZAHFODWVAE-FDDCHVKYSA-N	410.514	3.572	10	20	HHCD	
CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	148458966	MGIKQHNDTBPYSR-QGZVFWFLSA-N	410.518	3.544	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C/c2cnn(-c3ccccc3)c2)SC1=S	212602219	NWXDSEFJCXHJCU-WJDWOHSUSA-N	401.513	3.719	10	20	HHCD	
COCc1nc2n(n1)C[C@@H](NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CC2	237279405	SNXBOIMXERWQCS-KRWDZBQOSA-N	400.567	3.830	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Br)c(F)c1	392181699	CFNRRSDBXCKNNG-UHFFFAOYSA-N	407.283	3.697	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(Br)cc2F)n(C)c2ccccc12	472784452	HKMDQWHZMHPSIS-UHFFFAOYSA-N	418.266	3.643	10	20	HHCD	
Cc1nc2cccc(-c3noc(-c4ccc(NC(=O)C5=S=CC=C5)cc4)n3)c2[nH]1	551430146	VGFYEDBUZHFFOG-UHFFFAOYSA-N	401.451	3.804	10	20	HHCD	
O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1CCc1ccccn1	726197008	JNJIKXFNQAXHJA-XNTDXEJSSA-N	421.341	3.994	10	20	HHCD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	726500855	QCEAHNBULFYITM-DEOSSOPVSA-N	417.509	3.852	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)CC2)cc1	726560873	UHMCXHGKOBFFFI-DEOSSOPVSA-N	419.525	3.744	10	20	HHCD	
CC(C)CN1CCC(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	726610304	KIDKFMPLCQMCHL-UHFFFAOYSA-N	424.536	3.676	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1	726726551	UFUVERVCZREETP-UHFFFAOYSA-N	409.530	3.716	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3c(C)cc(C)cc3C)n2)c[nH]1	727247626	GLIQDAVEEJBJOY-UHFFFAOYSA-N	405.501	3.651	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2ccc(F)cc2F)nc1-c1ccccc1	727251021	PDMCYKRWFRDIKZ-UHFFFAOYSA-N	424.450	3.605	10	20	HHCD	
CN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc21	729577904	GNTBSRJARYYSOK-IBGZPJMESA-N	409.486	3.514	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@H](C(N)=O)c1ccc(F)cc1	731036443	LCFMNIYUDVTCII-HXUWFJFHSA-N	413.493	3.830	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ncn(Cc4ccccc4)n3)cc2)CC1	731108092	NIIWVZNWOSBOFB-UHFFFAOYSA-N	404.518	3.884	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H](O)c3ccc4ccccc4c3)CC2)cc1	731543670	AOKHHMVNQKQIHU-DEOSSOPVSA-N	419.525	3.850	10	20	HHCD	
CN(C)c1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)cc1F	733332408	XASQMTFGZWSJGP-UHFFFAOYSA-N	407.493	3.898	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c1	734062084	MHXIBHHAKSASTM-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
CC(C)Nc1ncccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	735848750	CUWSARAYQLBEIF-UHFFFAOYSA-N	422.451	3.687	10	20	HHCD	
CSCC[C@H](C)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	736061619	CDKSPSBWRZFZKT-LBPRGKRZSA-N	412.467	3.584	10	20	HHCD	
O=C1/C(=C\c2cc3c(cc2OC(F)F)OCO3)SC(=S)N1c1cccnc1	741851899	HLRHAYYFZZEUOP-LHHJGKSTSA-N	408.407	3.818	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1cc(F)ccc1F	751944114	BKTOEIODBUTGHM-NSHDSACASA-N	417.437	3.778	10	20	HHCD	
COCCC1(C)CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1	752912694	ODGHTZCTXRRDKR-PTNGSMBKSA-N	424.613	3.615	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3cn(-c4ccccc4)nn3)c2C)cc1	755458348	IRCMFEBZHNZWSA-UHFFFAOYSA-N	401.470	3.613	10	20	HHCD	
C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cc([N+](=O)[O-])ccc1O	756421269	HGLMOKXWPQLMEI-KFWWJZLASA-N	403.454	3.904	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1cccc(F)c1)c1cc(Br)c(F)cc1O	756455328	COXFMPDTZPZHRQ-ZYHUDNBSSA-N	402.235	3.523	10	20	HHCD	
Cc1ccc(OC(F)F)c(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	756924664	KGFWSMCEKVXPOR-UHFFFAOYSA-N	423.435	3.572	10	20	HHCD	
CCOc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	756969995	ZSDKMLABDAMVAQ-UHFFFAOYSA-N	411.546	3.602	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cn(Cc4cccc(F)c4)nn3)cc2)CC1	759192375	PXMMUYCMNQBBHH-UHFFFAOYSA-N	407.493	3.632	10	20	HHCD	
COC(=O)c1ccc(-c2nc(COC(=O)/C=C\c3ccc(O)c(O)c3)cs2)cc1	759597832	SNQYBIWNJVNDIN-OQFOIZHKSA-N	411.435	3.765	10	20	HHCD	
Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)Cc1ccccc1O	763911666	XZLIXSMFGOKUMO-UHFFFAOYSA-N	400.276	3.921	10	20	HHCD	
COCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	765036004	SRHCFSVMVCRWIF-RBUKOAKNSA-N	414.546	3.969	10	20	HHCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1	765077415	CAHNYMSADAKBFU-RDPSFJRHSA-N	411.615	3.619	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)CCCOC)cc1	767956685	VOOOOCZJMJCQGZ-UHFFFAOYSA-N	420.531	3.647	10	20	HHCD	
COc1ccccc1CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCCO1	768753017	IZTOHGVDNRMROO-OAQYLSRUSA-N	414.521	3.852	10	20	HHCD	
C[C@@H](NCCc1nc2c(F)cccc2n1C)c1ccc(N2CCOCC2)c(F)c1	772986271	TXOJLBFQSFCQAS-OAHLLOKOSA-N	400.473	3.581	10	20	HHCD	
Cc1sc2ncnc(SCC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2c1C	773749610	RJSDJFADLIMYOD-SNVBAGLBSA-N	403.529	3.559	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc2sccn2c1=O	777823623	VZXIPAAYJMFLBE-HNNXBMFYSA-N	405.479	3.865	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(CNCc3cc(F)ccc3O)c2)cc1	779079218	UFUZXXZOCVDEBS-UHFFFAOYSA-N	416.474	3.631	10	20	HHCD	
CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1c1cc(F)ccc1O	781864033	OEMQKMKPABEYOU-SFHVURJKSA-N	401.438	3.623	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1OC	782895485	FFZIWBBWPFUWEX-UHFFFAOYSA-N	412.486	3.709	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccc(N)cc1	783482774	KFBWMPYCGVXTCU-HNNXBMFYSA-N	403.438	3.730	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccnn2-c2ccccc2)C2CCCCC2)cc1	784060515	DSCWMJCYWRNQBQ-UHFFFAOYSA-N	403.486	3.759	10	20	HHCD	
CC(C)c1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1[N+](=O)[O-]	784111128	DIIQPNORGOGRNS-UHFFFAOYSA-N	410.474	3.672	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC3CCN(c4cc(C)[nH]n4)CC3)c2C)cc1	784670071	LPWMJYWOLUOTFN-UHFFFAOYSA-N	407.518	3.533	10	20	HHCD	
CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2O1	785986663	WJPNWTXVRLQABF-DEOSSOPVSA-N	423.513	3.780	10	20	HHCD	
Cc1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)c(-n2cc(Cl)cn2)n1	786822687	BTNSFAJBVYVDLZ-UHFFFAOYSA-N	408.245	3.786	10	20	HHCD	
Cc1ccc([C@H](C)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(O)c1C	788615233	XIGMAZFSCWFFBJ-AZUAARDMSA-N	414.521	3.516	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(O)nc2ccccc12	791246971	SBOYJCMPBJTJSX-UHFFFAOYSA-N	421.497	3.943	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c(O)c1	792794238	JJEZIOQRYJPEIV-IBGZPJMESA-N	403.910	3.691	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNCc3ccc(N(C)C)cc3C(F)(F)F)cn2)CCO1	792914851	FUHBNTGTYVTISJ-OAHLLOKOSA-N	408.468	3.681	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c(O)c1	793075930	HSUOVBGZQRVXCC-CQSZACIVSA-N	410.301	3.786	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)cc1	797445442	ZHOQIMYACZPHKJ-UHFFFAOYSA-N	415.342	3.949	10	20	HHCD	
Cc1ccc([C@@H](NCc2cccc(Br)c2O)[C@@H](C)S(C)(=O)=O)cc1	798088846	WAHMCDYQWLTTTQ-DYVFJYSZSA-N	412.349	3.727	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccncc2OCC(F)(F)F)cc1	798375853	MRNQUJXILIHMCD-UHFFFAOYSA-N	410.440	3.868	10	20	HHCD	
Cc1nn(C)c(C)c1OCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800048608	GNBFBEYGUWYOAH-CQSZACIVSA-N	404.942	3.622	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Oc3ccccc3CS(C)(=O)=O)ccc21	803080813	NBGQOGIUCFXIKI-UHFFFAOYSA-N	415.511	3.668	10	20	HHCD	
CC(C)n1cc([C@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1	806159701	BSENBSQMSKBGIV-KRWDZBQOSA-N	412.534	3.708	10	20	HHCD	
CCOC(=O)C(C)(C)c1csc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)n1	806819387	BTVRZZSYZGUBGH-LLVKDONJSA-N	407.492	3.581	10	20	HHCD	
CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290856	BXHDZNCSMWRZRM-UHFFFAOYSA-N	405.542	3.754	10	20	HHCD	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cn(C)nc3C(F)F)SC2=S)cc1	812219588	KANYMRCLZPZHJW-MDWZMJQESA-N	423.466	3.940	10	20	HHCD	
C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1=O	815155496	IWVMXMGOFGCSHR-FDDCHVKYSA-N	411.521	3.504	10	20	HHCD	
C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1cccc(C(F)(F)F)c1O	815574224	IXZHWINJMVJCRW-AWEZNQCLSA-N	409.452	3.553	10	20	HHCD	
C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	857759059	YTFBZQNEMCAFRP-VQTJNVASSA-N	407.558	3.711	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1	916632229	RTASFFAVNOEFQX-UHFFFAOYSA-N	424.379	3.772	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1	917861399	RNMVYNBPKDUABB-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1	917902272	DSQVNSRJVCUFBN-UHFFFAOYSA-N	423.541	3.861	10	20	HHCD	
Cc1ncc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	918219613	LWVNNBSBSWNHFS-OKILXGFUSA-N	406.527	3.546	10	20	HHCD	
O=C1CSc2ccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)cc2N1	919895893	YMPDBXVVGACNKQ-UHFFFAOYSA-N	422.554	3.515	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)SC2=S)cc1	1318172177	URCGXKCRCTXOOV-QGOAFFKASA-N	409.536	3.792	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c1	1318448395	ODNXZEUALXRNTO-SFHVURJKSA-N	414.981	3.646	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	1325860190	NNVLKWAYVDFYEL-MLPAPPSSSA-N	413.307	3.940	10	20	HHCD	
C/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830739883	FAEYONJVPBXFTH-QHKMVGIOSA-N	420.937	3.951	10	20	HHCD	
COc1ccc(-c2nc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cs2)cc1	16134994	ZHFIGYRSZOEVBV-UHFFFAOYSA-N	423.538	3.928	10	20	HHCD	
Cc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cs2)o1	145671349	YEWLODCJNVOXFU-INIZCTEOSA-N	411.527	3.968	10	20	HHCD	
Cc1c(CNC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)n(C)c2ccccc12	472220539	IRSQWWGKZSKPQM-UHFFFAOYSA-N	410.562	3.811	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(Cc4cccs4)oc3=S)CC2)cc1	727417989	VDAMQTFUPFWNOG-UHFFFAOYSA-N	402.545	3.646	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@@H](c2ccccc2F)C1	727476466	WIUPGDBOAUGKRN-OAQYLSRUSA-N	415.534	3.662	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(Br)cc2F)c1	731046388	SXZYMYCVYDWAHV-LLVKDONJSA-N	411.271	3.905	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cn2c(S)nnc2-c2cccs2)cc1F	731345742	IFYSXBHKQUIUNB-UHFFFAOYSA-N	419.551	3.597	10	20	HHCD	
CSc1nc(C)c(CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1	731858862	PGNMVOSICOZLIG-GOSISDBHSA-N	415.559	3.661	10	20	HHCD	
CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	732980425	KOVMLNOWWXVQNG-KRWDZBQOSA-N	424.541	3.703	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)c1	734072454	ANCFBSCDNHGGKA-UHFFFAOYSA-N	412.486	3.615	10	20	HHCD	
O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(N2CCCC2)cc1	735036640	UKHHCUVOKWLEIB-UHFFFAOYSA-N	403.866	3.934	10	20	HHCD	
CC(C)N(CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)OC(C)(C)C	735517287	JISGMRZZXKRZRL-IBGZPJMESA-N	420.550	3.935	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(-n4cc(C)cn4)c(F)c3)CC2)cc1	737009666	KXVLCHOYQVAWQC-UHFFFAOYSA-N	409.465	3.683	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1NC(C)=O	740609130	DWZWUZRLONHUSJ-UHFFFAOYSA-N	417.531	3.691	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](c3c(F)cccc3Cl)N(C)C)CC2)cc1	740700715	BXJGCATWXFOVMH-NRFANRHFSA-N	419.928	3.876	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCN1CCN(c2ccccc2)CC1	742245125	BHYSBRVICOHVOU-UHFFFAOYSA-N	408.590	3.702	10	20	HHCD	
COc1ccc(N2CCN(CCNCc3ccc(F)c(Br)c3)CC2)cc1	742700457	JHEOIIVOUWSQFP-UHFFFAOYSA-N	422.342	3.509	10	20	HHCD	
COc1cccc(CNC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c1O	743249242	PXJIXHFBGWSRGX-UHFFFAOYSA-N	416.481	3.798	10	20	HHCD	
O=C1C[C@@H](Cc2ccc(C(=O)Nc3cccc(N4CCCCCC4)c3)cc2)C(=O)N1	743496003	ADKYWJSMFXJCRG-LJQANCHMSA-N	405.498	3.525	10	20	HHCD	
O=C(NCc1nn(-c2ccccc2)c2c1CCC2)NCc1c(O)ccc2c1CCCC2	743542946	WIGNLGIVZKUDCE-UHFFFAOYSA-N	416.525	3.945	10	20	HHCD	
CCOc1c(OC)cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1OC	743575218	OLQKLZPBADKBSQ-UHFFFAOYSA-N	414.502	3.686	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H](C)Oc3ccccc3F)CC2)cc1	743677401	CIGKFTACWHZGPD-KRWDZBQOSA-N	401.482	3.524	10	20	HHCD	
Cc1cccc(F)c1CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751069136	AXRGOHAHWCKHEZ-UHFFFAOYSA-N	420.487	3.632	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1	751567305	PEKDWLHRYWXKBD-UHFFFAOYSA-N	424.513	3.941	10	20	HHCD	
Cc1cc(NC(=O)NCCCSc2nccs2)ccc1-n1nnnc1C(C)C	752992132	LEPWMKQECUZOEI-UHFFFAOYSA-N	417.564	3.855	10	20	HHCD	
Cc1ccnn1-c1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	753028791	JTNICANEEXHSDB-GOSISDBHSA-N	405.502	3.900	10	20	HHCD	
COc1cc(OC)cc(OCCCNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	753720344	MWVSMKLVJJTPQJ-UHFFFAOYSA-N	409.486	3.705	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccccc3OC(F)F)CC2)cc1F	753862265	WLGPNGNPKLXGAW-CQSZACIVSA-N	423.435	3.585	10	20	HHCD	
C[C@H]1C[C@@H](NCc2ccc(C(=O)NCCN3CCCC3)cc2)c2c(O)ccc(F)c21	756731757	BLLBBRYCWKHADZ-OXJNMPFZSA-N	411.521	3.695	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(NC(=O)NCCCSc3nccs3)CC2)cc1	759571811	AAYCXJFVKQGSRK-UHFFFAOYSA-N	418.588	3.538	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCc1nc(-c2ccc(Cl)cc2)no1	759580689	POGMKGVGKCLYRL-UHFFFAOYSA-N	423.951	3.871	10	20	HHCD	
O=S1(=O)CCCN1c1ccc(CNCc2cc(-c3ccccc3)ccc2O)cc1	763469877	DGFMGNVUKOFRLO-UHFFFAOYSA-N	408.523	3.889	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(C2OCCO2)c1	763985012	MNKFZEKEPJKTJX-UHFFFAOYSA-N	407.514	3.516	10	20	HHCD	
Cc1ccc(-n2nnc([C@H](C)NCc3ccc(N4CCOCC4)c(F)c3)c2C)cc1	765119484	XIQOHOAANQYSMI-KRWDZBQOSA-N	409.509	3.711	10	20	HHCD	
COc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1[N+](=O)[O-]	765419419	HWVLPVISQPPEHF-CQSZACIVSA-N	405.882	3.944	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(Br)n2)cc1	765480744	VFICZXJTYVJOSP-KRWDZBQOSA-N	418.335	3.732	10	20	HHCD	
CS(=O)(=O)C[C@@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccccc1	765654812	AWXJFVDETGNNND-JOCHJYFZSA-N	411.523	3.847	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1	765761470	XWKOXOQPMIHHKF-IBGZPJMESA-N	405.445	3.637	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1CC(C)C	766367783	PJQOBGXEDFKMIR-HOTGVXAUSA-N	402.514	3.530	10	20	HHCD	
CCSCc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1	769971872	XZGWTSCAFLCLNC-ZDUSSCGKSA-N	411.474	3.928	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1Br	770445257	PWVKKNVTXVDLND-UHFFFAOYSA-N	423.223	3.838	10	20	HHCD	
COC[C@@](C)(CC(=O)OC)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772157412	CCIVJKGWRHEZMG-JOCHJYFZSA-N	412.490	3.866	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1	772687055	PWALBAITKKFBEH-LJQANCHMSA-N	420.517	3.798	10	20	HHCD	
Cc1cc(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)c(C)n1-c1cccc(Cl)c1	773679337	XDLXPVLUVWDFJW-UHFFFAOYSA-N	408.951	3.787	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1O	775113209	URYSFLFYOBDJJF-LLVKDONJSA-N	402.382	3.657	10	20	HHCD	
CCOC(=O)Nc1ccc2c(CN[C@H](C)c3cc(OC)ccc3O)cc(=O)oc2c1	775363559	NBGRTMGDWYQTPV-CYBMUJFWSA-N	412.442	3.926	10	20	HHCD	
C[C@@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(N(C)C)cc1	775404760	NUWREHVFBPRUPS-GFCCVEGCSA-N	421.398	3.982	10	20	HHCD	
C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	775665966	PDTOVPQFMAOXBW-DENIHFKCSA-N	407.558	3.664	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)n(-c4cccc(F)c4)n3)CC2)cc1	776490657	XIOOVXUZDPKSFU-UHFFFAOYSA-N	409.465	3.683	10	20	HHCD	
Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1ccc(N2CCOCC2)cc1Cl	777704549	LFNGVCPCHICBLY-MRXNPFEDSA-N	416.953	3.890	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc2sccn2c1=O	777823624	VZXIPAAYJMFLBE-OAHLLOKOSA-N	405.479	3.865	10	20	HHCD	
COCC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(C)o1	778620155	IMVYHBINNRRBNN-LJQANCHMSA-N	403.548	3.718	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3csc4ccccc34)CC2)cc1	779153068	VUIURKYLGNEDRD-UHFFFAOYSA-N	409.511	3.587	10	20	HHCD	
COCC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccco1	779979458	AQOGJDJJPVWJOW-BXWFABGCSA-N	419.497	3.609	10	20	HHCD	
CON(Cc1ccccc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	780656881	KWTQHLGONFSNNF-CALCHBBNSA-N	401.482	3.713	10	20	HHCD	
Cc1ccc(C(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)c(O)c1O	780960747	OHJTXMDZNNAEJV-UHFFFAOYSA-N	402.403	3.734	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)nc1Br	782015889	XZEGSJWADVKYCP-UHFFFAOYSA-N	417.259	3.994	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cc(F)cc(F)c2)cc1	782424902	GHJWAXGHHXSNHV-UHFFFAOYSA-N	413.424	3.791	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1	782778913	UZXZQASIXWPSBS-UHFFFAOYSA-N	413.493	3.899	10	20	HHCD	
C[C@H](C1CC1)n1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1	782896419	NAUOIOMETDVONJ-MRXNPFEDSA-N	410.518	3.860	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Cl	788760689	JHFMNTCRLXZTTG-UHFFFAOYSA-N	403.910	3.879	10	20	HHCD	
CC(C)Cc1ncc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1	791948657	FFDDBLHTPJQYHN-IYBDPMFKSA-N	415.513	3.750	10	20	HHCD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C	792205515	PNGKMISDGSGSLY-OAHLLOKOSA-N	410.474	3.629	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cc(Cl)cc(C(=O)N(C)C)c2OC)c1	793572576	AXLGQVNMPGZIIZ-LLVKDONJSA-N	406.866	3.716	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)c(C)n1-c1ccccn1	794257320	AOAAGTJWIXFNBE-QGZVFWFLSA-N	419.403	3.851	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NOC/C=C\Cl	794296803	OQIZBPDWFGLEBN-KDNURZQZSA-N	402.950	3.530	10	20	HHCD	
COc1ccc(CNC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c(O)c1	794370997	UNYPRBISVMBCGC-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNCC1CCC2(CC1)OCCO2	795898722	GPLHENPFDAPBHR-UHFFFAOYSA-N	414.468	3.565	10	20	HHCD	
CCOC[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC)C1	802540637	XMBKUSTWLHBRGP-FQEVSTJZSA-N	423.561	3.862	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1)C1CCCCC1	803677803	UBSBJGYOYLSBIN-NRFANRHFSA-N	423.561	3.549	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N(C3CC3)[C@@H]3CCCc4ccccc43)ccc21	803688541	TWSHHIYDAPFGTI-XMMPIXPASA-N	417.553	3.754	10	20	HHCD	
Cc1cc(C(=O)CN(C)Cc2nncn2C)c(C)n1-c1cccc(C(F)(F)F)c1	805823781	NURLEUMYVHUDQG-UHFFFAOYSA-N	405.424	3.556	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C	807192004	MWGVLDRCPGSEBH-OPAMFIHVSA-N	411.521	3.680	10	20	HHCD	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290354	VOOIUIHMUDWWJR-IBGZPJMESA-N	403.526	3.506	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1C	808013901	ANMQBOBEKYFFRX-UHFFFAOYSA-N	400.525	3.931	10	20	HHCD	
CCNC(=O)COc1ccc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)cc1OC	808676386	CERSHPRFEPEPFN-AWEZNQCLSA-N	406.910	3.728	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1F	812018011	OTOZJHOGLKTQIT-QZTJIDSGSA-N	417.485	3.563	10	20	HHCD	
COc1ccc([C@@H](CNCc2ccc3ccccc3c2O)N2CCOCC2)cc1OC	816529956	NIVRHLMORAASOK-JOCHJYFZSA-N	422.525	3.726	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(C(N)=O)c3)c2C)cc1	913331866	IPRSEXAPOHZLEO-UHFFFAOYSA-N	420.465	3.631	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	917898366	RTHNCKKQJXZKGO-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1	918119312	SAXUKXUSRNFGFQ-IBGZPJMESA-N	424.520	3.986	10	20	HHCD	
CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	918463971	ZATCBUMRZBPQLU-UHFFFAOYSA-N	407.474	3.511	10	20	HHCD	
C[C@@H](NC(=O)C1CCCCC1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	918544630	ZFMIQLGLLBUVCU-GOSISDBHSA-N	411.546	3.959	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC(O)(Cc2ccccc2F)CC1	1320943991	VPCWKSHYWCMDME-UHFFFAOYSA-N	409.552	3.544	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCCNS(=O)(=O)c1ccccc1Cl	1321188543	VJXGMYMMRBVGHG-HOCLYGCPSA-N	408.951	3.861	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2ncc(Cc3ccccc3)o2)cc1)C1=S=CC=C1	1542728012	SYSFNLGKRQHSJG-UHFFFAOYSA-N	403.463	3.734	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1	7354539	WDTSUXRTNBKYSO-HNNXBMFYSA-N	409.446	3.537	10	20	HHCD	
Cc1nc2ccccc2c(C)c1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	10906526	BPKVAZLFNQXMEG-UHFFFAOYSA-N	403.526	3.889	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)nn4cccnc34)c2C)cc1	109131166	GLWDZMJWFRRTOE-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
O=C(CCOc1cccc(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726567921	RYKUOEXHPVFHFH-UHFFFAOYSA-N	408.420	3.981	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)CC2)cc1	726710109	SBWHGAQRCGUETJ-XZOQPEGZSA-N	409.530	3.837	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cnn(Cc4ccccc4)c3)SC2=S)cn1	726986325	ORFDVKHDAYOYFO-RQZCQDPDSA-N	408.508	3.741	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1	728839252	ADPKLPQTTVBOSV-UHFFFAOYSA-N	411.380	3.631	10	20	HHCD	
CC(C)n1cnnc1SCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728839405	MNSFRTMHMOVGGP-UHFFFAOYSA-N	415.485	3.608	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)c1	728945627	CLIJDSXPKXUEGH-STQMWFEESA-N	404.463	3.548	10	20	HHCD	
NC(=O)c1ccc(-c2nc(CN(Cc3ccccc3O)C[C@H]3CCCO3)cs2)cc1	732202665	BDBUDTFZZDFLNU-HXUWFJFHSA-N	423.538	3.796	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCCCN3CCCCC3)CC2)cc1	732254428	YQXIYJUISSVTNS-UHFFFAOYSA-N	402.583	3.619	10	20	HHCD	
O=C(N[C@H]1CCN(c2ccccc2F)C1=O)N(Cc1ccco1)Cc1ccccc1O	732893478	OPIVXGGWPHCTHV-IBGZPJMESA-N	423.444	3.642	10	20	HHCD	
Cc1nc(CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cs1	733097537	KMZVCUSJANSTHE-UHFFFAOYSA-N	413.465	3.556	10	20	HHCD	
CC(C)COc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1	735173924	GJKFGSSFTXFKBD-UHFFFAOYSA-N	412.534	3.647	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccccc1C(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1	735751850	YAUYRINCRCFODM-QGZVFWFLSA-N	424.545	3.934	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc4nc(S)oc4c3)cc2F)C[C@@H](C)O1	735853915	MTCKPWWNWGVNMD-CHWSQXEVSA-N	415.490	3.799	10	20	HHCD	
CC(=O)NC[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1	742615618	VPBNYCCZJPMXSC-QGZVFWFLSA-N	419.928	3.917	10	20	HHCD	
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743568073	VPPMAWDHVLIXMM-OAHLLOKOSA-N	420.416	3.664	10	20	HHCD	
O=C(NCCCOC1CCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743573270	PWQDUPKKVNQKQP-MRXNPFEDSA-N	411.493	3.905	10	20	HHCD	
CC(C)(C)OC(=O)N(CCCNC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1	745610832	YVRYXGNFBRYCLK-UHFFFAOYSA-N	417.550	3.860	10	20	HHCD	
Cc1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1	747857535	NTFSHIUYVWFGQV-UHFFFAOYSA-N	406.460	3.830	10	20	HHCD	
CCOC[C@H]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1	747930956	UUXROAIFYFATJG-HNDQUVLASA-N	424.613	3.615	10	20	HHCD	
CC(=O)c1ccc(N2CCN(Cc3cc(Cl)cc(C(C)=O)c3O)CC2)c(F)c1	748050965	JWNIHKBHMPJMIK-UHFFFAOYSA-N	404.869	3.912	10	20	HHCD	
CCOc1ccc(N2C(=O)c3ccc(C(=O)NCc4ccccc4O)cc3C2=O)cc1	748354959	QUIMUWWENLSEGE-UHFFFAOYSA-N	416.433	3.522	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OCc4ccccc4)nc3)CC2)cc1	751048138	CJADWSSUABCSQK-UHFFFAOYSA-N	403.482	3.632	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	752221409	BBEUHLNKTFHCEC-CJNGLKHVSA-N	422.476	3.965	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](O)c1c(F)cccc1Cl	752916824	SGVIQLYXVFXODR-XCLFUZPHSA-N	405.901	3.783	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)nn3Cc3ccccc3)CC2)cc1F	753842131	VSKMFLZRVMPOPP-UHFFFAOYSA-N	423.492	3.742	10	20	HHCD	
Cc1nc(CN2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)oc1C	754668128	NJNWNNPVFDZQSQ-UHFFFAOYSA-N	406.530	3.699	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)c1	755068640	XLMASCUULNSZOU-NSHDSACASA-N	411.271	3.733	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	756102009	LIYSMCBJZBUPHU-JXFKEZNVSA-N	419.525	3.515	10	20	HHCD	
C[C@@H](NC(=O)N1CCO[C@](C)(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	759731949	QIAZLFFXUIXCMR-DVECYGJZSA-N	409.530	3.541	10	20	HHCD	
CO[C@@](C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1F	760454578	LHVYIBBBFADPQB-VGOFRKELSA-N	420.912	3.827	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cccc(Br)c1	760998643	OWLBWCMPNUJYGN-UHFFFAOYSA-N	409.667	3.773	10	20	HHCD	
CSC[C@H](CCO)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	761916752	ROBLDEPXTQYJQH-HNNXBMFYSA-N	411.365	3.700	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1	764555802	ADAPRTCTSLECEY-IBGZPJMESA-N	404.555	3.587	10	20	HHCD	
COc1cccc2c1OC[C@H](N[C@@H](C)c1ccc(N3CCOCC3)cc1Cl)C2	765707980	SFMKRNTULONVGQ-DOTOQJQBSA-N	402.922	3.840	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2c(C)nn(C)c2nc1C	769292871	VJCYNEFFKCANCK-UHFFFAOYSA-N	417.307	3.716	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CCCN(CC(F)(F)F)C1	770302571	AJLZMEKXGLFJEP-AWEZNQCLSA-N	403.408	3.609	10	20	HHCD	
C[C@H](NCC(=O)NCC1(c2ccccc2)CCCC1)c1ccc(N2CCOCC2)cc1	775255855	SRFGYPWFNZNSRO-NRFANRHFSA-N	421.585	3.802	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC[C@H]1c1ncon1	775670519	KHDMVPKHBFBRGJ-NSHDSACASA-N	403.074	3.637	10	20	HHCD	
CCN(C[C@@H]1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1)CC(F)(F)F	776118494	QHIIBQYRIBQJBA-SFHVURJKSA-N	414.516	3.949	10	20	HHCD	
C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776245001	HBCRMIQSVBGHQW-IAGOWNOFSA-N	404.555	3.760	10	20	HHCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1	778631639	WYNDSRJDTGJJQT-ZNLUXHQJSA-N	403.567	3.867	10	20	HHCD	
CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CCNC(=O)OC(C)(C)C)cc1	781864564	NQTIIICGSBZKHC-FQEVSTJZSA-N	410.518	3.844	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(OC)c3)C2=O)cc1	782189569	RTECAAGCHSRTFT-LICLKQGHSA-N	415.492	3.653	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)C2Cc3ccccc3C2)c([N+](=O)[O-])c1Br	785772797	JNCIPXVFHBGYRH-UHFFFAOYSA-N	422.235	3.878	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)ncn1	786116216	MUIYTNOIVQZLKX-UHFFFAOYSA-N	415.396	3.834	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)Cc1cc(C(C)(C)C)on1	787918952	SNMMNKLKJFWANE-UHFFFAOYSA-N	405.564	3.924	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1OC	790346834	UJWSIZJUBASGJR-UHFFFAOYSA-N	401.868	3.651	10	20	HHCD	
CN(C)c1ccc(CNC[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C(F)(F)F)c1	793031199	FWELUVVXYAQJIS-QGZVFWFLSA-N	405.464	3.910	10	20	HHCD	
CO[C@H]1CCC[C@@H](CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	793102984	PVOWBNMFSPKLTN-QAPCUYQASA-N	414.468	3.754	10	20	HHCD	
CCc1ccc2occ(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2c1	795395290	BRHFNDCBNACWTI-SFHVURJKSA-N	405.498	3.627	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1	802610365	WFVODHBENLPROI-UHFFFAOYSA-N	417.893	3.771	10	20	HHCD	
COCCCn1ccc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	802619383	GRURXHZFCHRNEF-UHFFFAOYSA-N	406.446	3.912	10	20	HHCD	
CC(=O)NCCN(Cc1ccsc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	802652846	LCGXEJROROYGRX-UHFFFAOYSA-N	416.547	3.785	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H](O)c1cccc(C(F)(F)F)c1	803213291	PWXJKGSEAMGCAC-AWEZNQCLSA-N	404.182	3.523	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(-c3ccco3)cs2)cc1F	806892959	NKMCQQMEQRVGKN-UHFFFAOYSA-N	416.478	3.643	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806951044	ZKGRVDLXACFEPZ-HNNXBMFYSA-N	412.477	3.743	10	20	HHCD	
COc1cc(CN2CCOc3cc(N(C)C)ccc32)cc(OC)c1OCC(F)F	809640896	PJAVIVPHTPQGGO-UHFFFAOYSA-N	408.445	3.813	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC[C@](CO)(Cc2ccccc2)C1	813098806	MRULHWOQYMOGKF-FQEVSTJZSA-N	405.589	3.652	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@]4(CCN(C)C4)C3)cc2Cl)C1	813744691	SROPUQHUYMGSTG-HTAPYJJXSA-N	404.986	3.814	10	20	HHCD	
COc1cccc(CNC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c1O	815834801	ZYKQBYQLWNTADN-UHFFFAOYSA-N	415.877	3.728	10	20	HHCD	
CN1CCC[C@H](N(C)C(=O)c2ccc(NCc3cc(F)c(N(C)C)cc3F)cc2)C1	864039632	ZSTDUNVDHHIIOE-IBGZPJMESA-N	416.516	3.809	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1	916503209	YXIIRSMXNFSYLK-JOCHJYFZSA-N	423.557	3.853	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2nnc3n2CCCCC3)cc1	919654019	FBCPRSXXCVIBIQ-UHFFFAOYSA-N	422.533	3.576	10	20	HHCD	
C[C@H](Cc1cccc(O)c1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	919784432	QLDLQLNKEKXJTE-BRWVUGGUSA-N	415.509	3.575	10	20	HHCD	
C[C@H](COc1ccc(F)cc1F)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	919922121	OHXHVRBYGNZLRV-QAPCUYQASA-N	420.456	3.829	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(F)ccc3F)n2)cc1	1318195296	KKSWUGMDQOKXHL-UHFFFAOYSA-N	423.466	3.525	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@H]2CNc2cccc(C)n2)c1O	1319707387	PLYHGQRGAANKNH-INIZCTEOSA-N	406.324	3.943	10	20	HHCD	
CC(C)n1ncc2c1[C@@H](N1C(=O)CN(Cc3cc(Cl)ccc3O)C1=O)CCC2	1321146862	SQSQESYWNQMYIF-INIZCTEOSA-N	402.882	3.665	10	20	HHCD	
CCOC(Cn1cc(-c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)nn1)OCC	1341252550	DNNDXQZIYPIKPU-UHFFFAOYSA-N	422.489	3.802	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3F)CCC2)cc1)c1cc(O)c(O)c(Cl)c1	1790775802	UIMIVTPOUBUODM-ZBFHGGJFSA-N	418.852	3.857	10	20	HHCD	
C[C@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)CC=CCC1	1800720072	YHAOILDQUJECOY-CPBBTPEFSA-N	418.921	3.749	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1nc2ccccc2c(=O)[nH]1	10961769	CDEIOIGDRTZDBR-UHFFFAOYSA-N	404.514	3.505	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(NC(=O)c4ccco4)c3)CC2)cc1	110472125	ABQJIYWMUYUPIL-UHFFFAOYSA-N	419.481	3.939	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CNC(=O)NCc3c(C)c4ccccc4n3C)cn2)n1	471589046	NOAPTPBTBAGGIW-UHFFFAOYSA-N	402.502	3.684	10	20	HHCD	
CCn1cc(Br)cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	725891374	KSZNQCPUOZEJSG-CQSZACIVSA-N	406.324	3.598	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)ccc21	725893924	YRDNKXMILJHAQD-UHFFFAOYSA-N	403.313	3.882	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)NC(=O)CCS4)CC2)cc1	726562687	TWURXGTXAVLDKQ-UHFFFAOYSA-N	411.527	3.528	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c([N+](=O)[O-])c1	727249907	FFCKQDILZSVTDI-UHFFFAOYSA-N	424.391	3.566	10	20	HHCD	
O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1CCc1cccs1	727863475	BJFWAEBLWULGBZ-CXUHLZMHSA-N	416.528	3.912	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2N2CCCCCC2)c1	729066823	PWTFITKAEASEPQ-MRXNPFEDSA-N	411.502	3.597	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3ccc(F)cc3)cc2F)CC1	730194531	KLYZOWMBEGZUBI-KRWDZBQOSA-N	401.501	3.602	10	20	HHCD	
CCCCN1CCCC[C@H]1CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1	731220968	ZJHNSDLNYCKPJX-NRFANRHFSA-N	402.583	3.572	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)CC2)cc1	740459664	MXEBCXADBDVJAR-JOCHJYFZSA-N	411.502	3.653	10	20	HHCD	
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(N4CCC(C)CC4)c3)ccc21	740605125	MBOLXAWANFJRGH-UHFFFAOYSA-N	413.543	3.633	10	20	HHCD	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	740609091	CCEOLBFYGNSBRK-UHFFFAOYSA-N	402.516	3.819	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(c2ccc(F)cc2)CCOCC1	740909532	NRWUCBUQMDAVEX-UHFFFAOYSA-N	409.505	3.750	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742334308	KGPLWTIWOHSFCT-INIZCTEOSA-N	410.486	3.852	10	20	HHCD	
CCOCCOCc1cccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c1	743535553	FETOUHDWHBVIJQ-UHFFFAOYSA-N	412.530	3.824	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1C[C@]12CCCc1ccccc12	745721132	KMQYGHFCGNHRNB-RDGATRHJSA-N	406.526	3.548	10	20	HHCD	
CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	746364065	MITCIPBTXQHHDI-KRWDZBQOSA-N	411.550	3.686	10	20	HHCD	
Cc1cc(Br)ccc1NC(=O)CN1CCOc2cc(N(C)C)ccc21	746492229	GDGKAQMKAFZYQL-UHFFFAOYSA-N	404.308	3.661	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(CS(C)(=O)=O)c2)c(C)n1-c1ccc(F)cc1	749244527	IUAOIBYQCWPYRM-UHFFFAOYSA-N	414.502	3.708	10	20	HHCD	
C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	750447278	WHYIWIOUXNRWKV-GOSISDBHSA-N	418.582	3.979	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3nc4c(s3)CCCCC4)CC2)cc1F	753838464	DIBWNGUHBYDYGL-UHFFFAOYSA-N	404.511	3.914	10	20	HHCD	
C[C@@H]1C[C@H](NCc2ccccc2S(=O)(=O)NC(C)(C)C)c2c(O)ccc(F)c21	756467437	VLJXBIACXHZKPM-CJNGLKHVSA-N	406.523	3.946	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1	756685974	PHWWMFRLHCTKAB-QRWLVFNGSA-N	418.921	3.556	10	20	HHCD	
O=C(CN1CC=C(C(F)(F)F)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	757118240	UVWPFSRQHJHECI-UHFFFAOYSA-N	414.383	3.595	10	20	HHCD	
CCS(=O)(=O)N1CCC(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1	757707091	ZBXZADIBELEWEC-QGZVFWFLSA-N	411.587	3.528	10	20	HHCD	
COc1cc(N2CCN(Cc3cccc(OC(C)C)c3)CC2)cc(OC)c1OC	759879390	UKROGAXGNLFGQZ-UHFFFAOYSA-N	400.519	3.822	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Br	760434123	GCUSKMKJQDKCID-UHFFFAOYSA-N	409.711	3.869	10	20	HHCD	
CCCCS(=O)(=O)c1ccc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1	764957156	DFVLFXXFNBEMOJ-UHFFFAOYSA-N	402.560	3.989	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)NCc3cccc(Br)c3O)c2)n[nH]1	765279534	VPQZFAWBMGZUBM-UHFFFAOYSA-N	402.252	3.570	10	20	HHCD	
CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nnc2n1CCCCC2	765640199	AJLCDEJIFAQMQS-APWZRJJASA-N	401.530	3.782	10	20	HHCD	
C[C@@H](OCc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771058802	OATLCXOOZWDYHN-OXQOHEQNSA-N	402.922	3.732	10	20	HHCD	
CCOC(=O)C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1	773615917	ZPQPUHJBSBTWTL-MGPUTAFESA-N	401.482	3.946	10	20	HHCD	
O=C(NCCc1cccc(Cl)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	775132583	XWHIOTOJUOWILT-UHFFFAOYSA-N	412.873	3.526	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1	775374763	DQOGRINVEMOVEM-LSDHHAIUSA-N	400.475	3.644	10	20	HHCD	
C[C@H](NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)c1ccc(N(C)C)cc1	775407836	WWRAIGXISFZVAT-LBPRGKRZSA-N	421.398	3.982	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)c2cc(Br)ccc2O)cc1	775565231	GMLYTIPMPNKZDD-KGLIPLIRSA-N	412.349	3.976	10	20	HHCD	
Cc1cc(Br)cc(CNC[C@H](c2cccs2)N2CCN(C)CC2)c1O	775779821	HVCYAKOCGVCOET-QGZVFWFLSA-N	424.408	3.603	10	20	HHCD	
COc1ccc(-c2nnc(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)s2)cc1	775836752	IPRZZJAKUBTQFR-NSHDSACASA-N	400.460	3.811	10	20	HHCD	
CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)/C=C/c1ccc(O)c(O)c1	775942899	NPKNVFYJOCHWFA-VSFZPWCASA-N	405.450	3.555	10	20	HHCD	
CC[C@H](C)Oc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccn1	776897383	VWXROXXMNZDFDI-KRWDZBQOSA-N	414.575	3.812	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc1	777837612	PBNUIWHEISOSIF-QHCPKHFHSA-N	417.509	3.943	10	20	HHCD	
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc(O)c(O)c1	778924549	XLBAUKLBUFJTFN-SECBINFHSA-N	400.656	3.597	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(C(C)(C)C)c1)c1ccc(N)cc1	783484710	GHBBOGMTXVTDEJ-MRXNPFEDSA-N	405.502	3.953	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c(OC)c1	785548616	NOPXHXAPUMADLJ-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1	789372766	ZTQYAFIJNHDFEY-JENIJYKNSA-N	424.570	3.902	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1	791090327	BZHJKJJVJNLLFY-UHFFFAOYSA-N	410.474	3.671	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnc2onc(C)c2c1	791248934	AURRSMGRNCALRC-UHFFFAOYSA-N	410.474	3.533	10	20	HHCD	
CO[C@@]1(C)CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1	791841894	GSJINPNKMYIRQN-QZEGLACASA-N	424.613	3.757	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc(I)cc1	792703338	UYMRSBXZEQFSHR-UHFFFAOYSA-N	421.281	3.520	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1	792960362	XGEQYLBNXSFCJW-UHFFFAOYSA-N	412.490	3.555	10	20	HHCD	
CC[C@@H](C)CC[C@H](O)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	793100279	BIYPMQXTRGXKBV-QAPCUYQASA-N	416.484	3.736	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(O)c1	794382527	CDPSTRINUXAQGZ-YWZLYKJASA-N	414.502	3.919	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@H]2C)c(O)c1	794382752	GTTVWBLMFXCZQZ-HBGVWJBISA-N	422.525	3.801	10	20	HHCD	
CSC[C@H](C)C(=O)N1CCC(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1	799413589	UYWDLCGZIUBPBR-SFHVURJKSA-N	417.619	3.531	10	20	HHCD	
Cc1occc1C(=O)NCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800344477	SCTBFJSGRBWUJW-AWEZNQCLSA-N	403.910	3.524	10	20	HHCD	
CC(C)n1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1	800637341	WXJUSKPUQKWCSK-HNNXBMFYSA-N	417.941	3.609	10	20	HHCD	
COc1cc(OC)cc(C2(F)CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)c1	802183177	WHBVZRFFSCUXKF-XQRVVYSFSA-N	401.434	3.616	10	20	HHCD	
COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	804367874	DMZKFSODQWIQRF-QGZVFWFLSA-N	400.422	3.723	10	20	HHCD	
COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	804369293	YXQRIIOWZHEQSG-FQEVSTJZSA-N	424.419	3.670	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1OC(F)F	807511525	NTUZYMGFDWOEQH-UHFFFAOYSA-N	405.184	3.555	10	20	HHCD	
CC(C)(C)c1cnc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)s1	807512928	BUDYAIRZMXNELN-UHFFFAOYSA-N	402.303	3.708	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCc2cc(OC)ccc21	807689824	LDROCIGHNSHUBB-IBGZPJMESA-N	424.541	3.766	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1C[C@H](c2ccc(F)cc2)C1	814284652	UTLGLXXCBJUFJW-UAPYVXQJSA-N	401.457	3.547	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)c1	814449315	JRTHPMCYLUORGI-HUUCEWRRSA-N	413.474	3.869	10	20	HHCD	
CC(C)[C@@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)NC(N)=O	814773782	WCLXXVFHEMPJSA-WTWVRAIASA-N	419.553	3.824	10	20	HHCD	
Cc1cnccc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	814804885	IZEWHKXWJURMHK-IYBDPMFKSA-N	403.523	3.551	10	20	HHCD	
CCc1nc(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1	815710297	IJYPAZIVFYKWNF-KRWDZBQOSA-N	416.522	3.607	10	20	HHCD	
O=C(NCCc1ccc(OC(F)F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	915925825	YYUIRAXIFAQZSW-IBGZPJMESA-N	420.456	3.927	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cnn(-c3ccc(Cl)cc3)c2)SC1=S	917643263	XYRNPKCOHJNUTF-OQLLNIDSSA-N	421.931	3.680	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)nc1-c1ccccc1	917846909	HCXVSRYJQVGEJW-UHFFFAOYSA-N	401.513	3.621	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2N2CCCC2)cc1	918309093	FKEVMVQPIWFSPV-UHFFFAOYSA-N	408.546	3.730	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(Nc4ccc(C)nn4)c3)CC2)cc1	1319869725	IKTASYXJHMEVJL-UHFFFAOYSA-N	417.513	3.890	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)NC3(CCC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	110090778	OXPIKBLPGGFRTJ-UHFFFAOYSA-N	403.841	3.544	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCc3nc(-c4cccs4)no3)CC2)cc1	110362039	JAVOVWOBKIUDKP-UHFFFAOYSA-N	412.515	3.525	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)CC2)cc1	110421465	LHJOISAOQCTCCD-QFIPXVFZSA-N	413.493	3.586	10	20	HHCD	
COc1cccc([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	195604425	MNUACRSBSFLLAV-OAHLLOKOSA-N	422.447	3.971	10	20	HHCD	
Oc1ccccc1CN(C[C@H]1CCCO1)c1cc(-c2ccccc2)nc2ncnn12	301857420	JDZFMVWVCCQROW-LJQANCHMSA-N	401.470	3.683	10	20	HHCD	
O=C(CCc1ccc(OC(F)F)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	303010062	OOLSQXAOLRPMBL-UHFFFAOYSA-N	418.484	3.746	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC3(c4ccccc4)CCC3)cc2F)CC1	303273708	GUTWHYLCGPCFMH-UHFFFAOYSA-N	410.537	3.846	10	20	HHCD	
Cc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1Br	393045022	VQKVQAGFSIVBFM-UHFFFAOYSA-N	403.320	3.866	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(N3CCCC3=O)CC2)c(C)n1-c1ccc2c(c1)CCC2	729483772	ZBWBQXQWMYGXKW-UHFFFAOYSA-N	419.569	3.852	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1	731281095	RRMNWCXKISWHCG-HSZRJFAPSA-N	424.589	3.693	10	20	HHCD	
COc1ccc(N2CCC3(CC2)Nc2ccccc2C(=O)N3C[C@@H]2CCCO2)cc1	731298805	NXXQOQAVGVLSNG-FQEVSTJZSA-N	407.514	3.739	10	20	HHCD	
CCN1CCN([C@H](C)CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	733161903	MTBLUQWNWXMUJB-QGZVFWFLSA-N	402.970	3.503	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCSc1nccs1	733972873	NNNJOUXHKLTHAD-QAPCUYQASA-N	417.600	3.741	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c1	734070296	ZGWFZLVSKXWTKC-JOCHJYFZSA-N	416.481	3.876	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(N2CCC(C)CC2)cc1	734701570	FRZONRGFKJOASN-UHFFFAOYSA-N	408.546	3.552	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)c1	735383580	DMQMTHYVWBKSHT-DOTOQJQBSA-N	401.482	3.878	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3c(C)nc(C4CC4)nc3SC)CC2)cc1	742249659	XNKXJVKJYQNRLU-UHFFFAOYSA-N	412.559	3.792	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	742476099	VTFMZPJQROBHEO-GOSISDBHSA-N	411.933	4.000	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(CC(F)(F)F)CC1	745784242	POJJBIBGTUMTCE-UHFFFAOYSA-N	400.489	3.699	10	20	HHCD	
Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746616787	OWWBJPKABUYUNK-LLVKDONJSA-N	418.366	3.737	10	20	HHCD	
COC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccco1	746769954	IEXPVNHSYNVDEI-RHSMWYFYSA-N	409.433	3.537	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1Cc1ccccc1	751084710	HIGCTEHWWCEJMT-XXBNENTESA-N	406.574	3.921	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccc(-n3cccn3)cc2)cc1	751403708	DTYLRLNFIDXRDY-DEOSSOPVSA-N	418.541	3.689	10	20	HHCD	
O=C1[C@H](NCc2ccc(OCc3ccccc3)cc2O)CCN1Cc1ccccc1	753549483	PKKRHWGKNHFGNY-HSZRJFAPSA-N	402.494	3.862	10	20	HHCD	
COc1ccc(SCCC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753742650	UWMKSCODTPZMLW-UHFFFAOYSA-N	404.507	3.674	10	20	HHCD	
O=S(=O)(Nc1ccc(Br)cc1C(F)(F)F)c1cccc2nonc12	753923981	PEANDAUGNRXTEG-UHFFFAOYSA-N	422.182	3.805	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ncc(Cc2ccccc2)s1)c1ccc(N(C)C)cc1	756177024	URLNAUJKJLAOTM-OAHLLOKOSA-N	408.527	3.616	10	20	HHCD	
C[C@@H](NCCCS(=O)(=O)Cc1ccccc1)c1cc(Br)ccc1O	756441694	MUZNBEFNGPNFFI-CQSZACIVSA-N	412.349	3.810	10	20	HHCD	
C[C@@H](NCCc1ccc(OCCN(C)C)cc1)c1cc(Br)ccc1O	756548131	IOYZEKVMXIFDJJ-OAHLLOKOSA-N	407.352	3.988	10	20	HHCD	
CN(Cc1cc(Br)cn1C)C(=O)NCc1ccc(N2CC=CC2)cc1	758801764	FZVBJTTVKYOOOF-UHFFFAOYSA-N	403.324	3.505	10	20	HHCD	
COc1cc(CO)c(OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)c(CO)c1	758997886	WVDWYDPJJXIBDG-UHFFFAOYSA-N	409.482	3.657	10	20	HHCD	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1	759368641	JHGISPMEMNIPET-MRXNPFEDSA-N	400.906	3.702	10	20	HHCD	
C[C@H](c1ccccc1)N1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761149235	FIBVNINQGDJEOZ-BEFAXECRSA-N	413.905	3.645	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)n2)ccc1F	763073810	RWCRMOCHLXUGJA-UHFFFAOYSA-N	421.475	3.587	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(CC(F)(F)F)nc1C	764324787	QTRDNGHUOGSMBI-UHFFFAOYSA-N	420.229	3.884	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3sccc3Br)SC2=S)CC1	764884924	ISHILKKOMNQINF-XYOKQWHBSA-N	403.392	3.806	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cc1F	765769053	QGQRPFMTVLFKHK-QGZVFWFLSA-N	405.436	3.517	10	20	HHCD	
CC(C)Oc1cccc([C@H](O)CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	766062470	ZKHIBWWZYRMHGN-UZUQRXQVSA-N	402.510	3.834	10	20	HHCD	
C[C@@](O)(C1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1)C(F)(F)F	767509649	GYWBLSGBARARDT-OAQYLSRUSA-N	423.431	3.854	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csc(NC2CC2)n1	769016387	IIBWRAJHCKYMIS-UHFFFAOYSA-N	408.474	3.718	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)c2)CC1	770144205	SZOBNKUEWJFAQB-UHFFFAOYSA-N	422.573	3.743	10	20	HHCD	
C[C@@H](NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl	772771699	XQIHJYCRDQWHBD-KGHNQEBZSA-N	410.253	3.838	10	20	HHCD	
CC(=O)c1ccc(N2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)c(F)c1	773612270	LGBSMIPNWZJYSV-INIZCTEOSA-N	412.509	3.687	10	20	HHCD	
COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773760883	MKKKMFQTMVACRZ-ZDUSSCGKSA-N	400.862	3.912	10	20	HHCD	
C[C@@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1cccc(S(N)(=O)=O)c1	774404558	MIWGYGGFBZZRPF-QGZVFWFLSA-N	401.576	3.954	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc2ccccc12	775040681	XYNVQVJINJBLQW-GOSISDBHSA-N	401.510	3.934	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccc(I)cc1)c1ccc(N(C)C)cc1	775833524	CMPFTXFQTLZFNK-ZDUSSCGKSA-N	423.298	3.647	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776236783	BITSLVYIIBUCTQ-DLBZAZTESA-N	404.555	3.712	10	20	HHCD	
Cn1c(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cnc1Cl	776744585	XUOZKZUFMGGYJD-UHFFFAOYSA-N	420.903	3.857	10	20	HHCD	
Cc1oc2c(CN3CC[C@@H](n4cncn4)C3)c(O)ccc2c(=O)c1-c1ccccc1	776776589	RWMBDACEGDCIFF-QGZVFWFLSA-N	402.454	3.513	10	20	HHCD	
CC(=O)N(C)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1	784062139	YHZSRHOTQQPRCS-UHFFFAOYSA-N	408.502	3.556	10	20	HHCD	
C[C@H](CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)CC(C)(C)C	785588368	QFOYCOXBRWSTEJ-IEBWSBKVSA-N	402.583	3.650	10	20	HHCD	
COC(=O)c1cncc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1	788543600	ARWZSCCZOCLEHY-UHFFFAOYSA-N	415.452	3.539	10	20	HHCD	
CSC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC1	788874220	HSVOBRBGAWNFHL-UHFFFAOYSA-N	417.497	3.627	10	20	HHCD	
C[C@@H](NC(=O)NC[C@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	788909813	SFTWXIKTSIECOI-NHCUHLMSSA-N	422.573	3.800	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1)c1ccc(F)cc1F	788929506	VQRGMXPNAYGBER-HXUWFJFHSA-N	403.473	3.695	10	20	HHCD	
C[C@H](NC[C@](C)(Cc1ccccc1)[C@H](C)O)c1ccc(N2CCOCC2)c(F)c1	790725517	NVUBTUSALFIXNV-JXQFQVJHSA-N	400.538	3.943	10	20	HHCD	
CCOC(=O)c1cncnc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	794426115	MIHAGBLWGJOPNG-QGZVFWFLSA-N	424.526	3.988	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCCCN2C(=O)c3ccccc3C2=O)c1O	797074778	DYORMXOSHOONGR-ZDUSSCGKSA-N	417.303	3.800	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3c(F)cc(F)c(F)c3F)CC2)cc1	797445269	SDVHBQIXUVTAFK-UHFFFAOYSA-N	411.399	3.720	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2Cl)C1	800571004	CSXJYRBZPICMOI-ZDUSSCGKSA-N	402.882	3.997	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@](C)(O)CCc1ccccc1	801169220	QDFCUKLXSYZFHE-FQEVSTJZSA-N	406.320	3.887	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1nc2ccccc2s1	804163325	HIHMVKXZQZJUDF-MRXNPFEDSA-N	424.570	3.977	10	20	HHCD	
CCCNC(=O)CN1CCC(N[C@@H](CC)c2cc(Cl)cc(Cl)c2O)CC1	806132408	WBBGZHZUIWAADO-KRWDZBQOSA-N	402.366	3.730	10	20	HHCD	
COCCn1cc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c(=O)cc1C	806667448	CKMXRVMAMQBRDU-UHFFFAOYSA-N	411.546	3.502	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H](c3ccccc3C)N(C)C)CC2)cc1	806684102	QOCZIHCTPUYPQE-DVECYGJZSA-N	424.589	3.963	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN(C(=O)c2ccccc2)C1	807836586	GSDLWJNCGQDSTH-AWEZNQCLSA-N	407.297	3.868	10	20	HHCD	
O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1cc(Cl)cc(Cl)c1O	807840151	RNHGBEGQZHSWHP-UHFFFAOYSA-N	415.660	3.967	10	20	HHCD	
C[C@H]1CCCN(c2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccn2)C1	812504328	SWATXLRFHAWPPB-GHTZIAJQSA-N	409.530	3.845	10	20	HHCD	
COCC1(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCOCC1	813744345	IIBFGQVDPBQXDR-QGZVFWFLSA-N	423.985	3.819	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1	815371327	RUUKFEIMLZAXPR-HXUWFJFHSA-N	409.530	3.634	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCCc2cnc(SC3CCCC3)nc2)c1	815656276	QIZFDLMWMOXTLA-AWEZNQCLSA-N	401.532	3.897	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc(Cl)c(F)cc2O)CC1	816482298	AVZQYPCWJYRTMY-UHFFFAOYSA-N	406.841	3.764	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3ccc4ccccc4c3O)C2=O)c1	816518996	VBDAPKAWQWVOOG-JOCHJYFZSA-N	406.482	3.800	10	20	HHCD	
Cc1cc(Br)c(O)c(CNc2ccc(S(=O)(=O)NC3CC3)cc2)c1	863995411	SQMWJOLEKJPTQA-UHFFFAOYSA-N	411.321	3.516	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1	915222355	BAEXLRQWPRINBD-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
CCN1C[C@H](CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)Oc2ccccc21	915287568	NLWGQNUPOCRIPE-IBGZPJMESA-N	404.514	3.849	10	20	HHCD	
COCc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	916677783	LLWAJTHHLMSCFH-HOTGVXAUSA-N	401.482	3.907	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	917472711	ZVXWQBWVMKQDTG-UHFFFAOYSA-N	412.530	3.752	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCNC(=O)c2ccccc2Cl)C2CC2)cc1	918064314	BQGHIQWOXXJEEV-UHFFFAOYSA-N	414.937	3.510	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(N3CCCNC3=O)CC2)c1	1319597803	VDFHPXDPMOGLCK-UHFFFAOYSA-N	414.937	3.767	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)C2CC2)cc1	1323631515	RRFMIMVPBFRBGW-UHFFFAOYSA-N	406.530	3.975	10	20	HHCD	
COc1ccc(CNC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1	7103476	RRYAHFBWCVKZBD-QFIPXVFZSA-N	413.587	3.817	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c(C)n1-c1ccc(F)cc1	59119413	JTSJBMDMMNXHCR-UHFFFAOYSA-N	421.472	3.958	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(Br)cc1	96970936	OBTVMSGXFWDMSS-GOSISDBHSA-N	419.319	3.774	10	20	HHCD	
CC(C)NC(=O)c1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1	301114685	LONMLHALGSXNOX-INIZCTEOSA-N	412.490	3.743	10	20	HHCD	
Cc1nc(-c2ccc(N[C@H](C)c3ccc(N4CCOCC4)cc3)nc2)nc(O)c1C	301368713	OQCJCKIZTQUDBJ-QGZVFWFLSA-N	405.502	3.871	10	20	HHCD	
C[C@@H](NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1Cl	302833734	QCWJIQUAZFVMMM-AEFFLSMTSA-N	402.922	3.904	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC2(CCC2)c2c(F)cccc21	726234544	INKQTBMHDKUDSZ-UHFFFAOYSA-N	413.468	3.953	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNc3ccc(C(F)(F)F)c(Cl)n3)cc2)CC1	726968010	NOUDHJBXJHKILF-UHFFFAOYSA-N	419.856	3.601	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc(OC)nc2)C1=O	726986777	XREHEFVLAJRYAQ-DHDCSXOGSA-N	417.468	3.803	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc3cnn(CCOC)c3c2)cc1F	731398916	LQTUUPYHJJGVHO-UHFFFAOYSA-N	413.497	3.990	10	20	HHCD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	732244370	YBSZSTOALSTIFU-PMACEKPBSA-N	416.610	3.784	10	20	HHCD	
CCOC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	733797116	QCVABIFHPGEZHM-DLBZAZTESA-N	420.509	3.538	10	20	HHCD	
Cc1nc(-c2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cc2)cs1	734703332	MZLGHEVPAAOJGK-UHFFFAOYSA-N	408.527	3.748	10	20	HHCD	
O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1	734947711	YFJCPAXTBDLUOX-GPMSIDNRSA-N	402.441	3.917	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(-n2cccn2)c1	742798428	NLIBRFQAYNQMCX-QGZVFWFLSA-N	412.440	3.873	10	20	HHCD	
Cc1nsc(N2CCCN(C(=O)c3cc(C)n(-c4ccccc4C)c3C)CC2)n1	742850041	VZWVKHTXEDKCLQ-UHFFFAOYSA-N	409.559	3.915	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c1	745435853	RGEZOFYCHMRBGW-UHFFFAOYSA-N	411.527	3.704	10	20	HHCD	
CSc1ccc(F)cc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	745928452	MDAVRWZHENKOOV-UHFFFAOYSA-N	403.523	3.726	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1Cl	746037147	FIOLHRIZGSORIN-INIZCTEOSA-N	402.878	3.500	10	20	HHCD	
CCc1cccc2c1N(C(=O)C(=O)N(C)Cc1ccc(N3CCCCC3)cc1)CC2	746988724	ZTWMYAVWHCUTFY-UHFFFAOYSA-N	405.542	3.787	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1	749336688	BWHBIYWXPINEFY-UHFFFAOYSA-N	401.466	3.846	10	20	HHCD	
Cc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)n(C2CCN(C)CC2)n1	751011476	QHYNFXLQLVNEDW-UHFFFAOYSA-N	423.517	3.991	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1	753636549	NLVMWDWTIPJVOU-DZIBYMRMSA-N	416.562	3.790	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c(C)n1-c1cccc(Cl)c1	753665255	MPZXHBMOZSVYLR-AZUAARDMSA-N	400.906	3.958	10	20	HHCD	
CCOC(=O)[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCOCC1	755198321	NXDGRKKHJNVSDQ-JOCHJYFZSA-N	424.501	3.988	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccc2c(c1)OCCCO2	756327814	RNPSWVKSEXNHMO-UHFFFAOYSA-N	408.454	3.787	10	20	HHCD	
COC(=O)COc1cccc(CN[C@H](C)c2cc(Br)cc(F)c2O)c1	756710266	CJBDYJJHMILBSV-LLVKDONJSA-N	412.255	3.696	10	20	HHCD	
O=C(N[C@H]1COc2c(Cl)cccc21)N(Cc1ccccc1O)C[C@H]1CCCO1	757813533	GTZUWKSVOOHQRN-QAPCUYQASA-N	402.878	3.870	10	20	HHCD	
COc1cc(Cl)cc(CN2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1O	761201889	HUMUONPNTXDQIK-SFHVURJKSA-N	416.905	3.982	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCOc2c(F)cccc21	762297993	UVSCKARMUWYLOR-MRXNPFEDSA-N	404.825	3.863	10	20	HHCD	
COc1ccccc1[C@@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765281149	ODHQKMQRYNOKSH-GOSISDBHSA-N	421.520	3.802	10	20	HHCD	
C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@H](C)c1ccc(N2CCOCC2)cc1	765331510	GKSVSLLTLXDLNS-JKSUJKDBSA-N	402.926	3.640	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H]2c2nncn2C)c(C)n1-c1ccc2c(c1)CCC2	767768559	MAVWTVREONILEY-QFIPXVFZSA-N	403.530	3.731	10	20	HHCD	
COc1ccc(N2CCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)cc1F	768532705	FEBHYZMAJPRXLJ-UHFFFAOYSA-N	405.477	3.502	10	20	HHCD	
O=C(N[C@H]1CCOC2(CCC2)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	769128665	WHBRGJFWQOWGRO-JKSUJKDBSA-N	409.477	3.658	10	20	HHCD	
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	770833258	XJCWAKDBMFKFKF-UIFIKXQLSA-N	403.567	3.504	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCO[C@H](c3ncon3)C2)cc1	771472919	HRKOFAWOLCBFSR-IBGZPJMESA-N	406.446	3.765	10	20	HHCD	
CC(C)[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1	772118548	DBTBTEFBJRLNRE-MDZRGWNJSA-N	411.493	3.760	10	20	HHCD	
CC(=O)c1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1	772310595	BGVSNFQKPMORSJ-KRWDZBQOSA-N	415.490	3.544	10	20	HHCD	
COc1ncc(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)cc1C(N)=O	772716178	DNWDAVINHHPMHJ-UHFFFAOYSA-N	418.457	3.923	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C(=O)NC1CC1)c1ccccc1	772798438	RFRCNCLTOUCUNW-IBGZPJMESA-N	403.320	3.997	10	20	HHCD	
Cc1cc(Br)c(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	773088133	MXQNDUVGYVLGJK-LLVKDONJSA-N	403.367	3.925	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1N(C)C1CCCC1)c1ccc(N(C)C)cc1	773845434	JNPFJBJPCVPGPN-QGZVFWFLSA-N	408.546	3.947	10	20	HHCD	
COc1ccc([C@H](CNCc2cc(OC)c(OC)cc2O)N2CCCCC2)cc1	775794907	ANPGDUZNRBTRFE-FQEVSTJZSA-N	400.519	3.735	10	20	HHCD	
COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1	777666322	FQNZUYCRAQBWRU-UHFFFAOYSA-N	423.541	3.977	10	20	HHCD	
CC[C@H](C)Oc1cc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)ccn1	777754263	HQNBYHDKRUMDLS-SFHVURJKSA-N	412.534	3.689	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1C(=O)COc2ccccc21	777823242	RRFOQDTVBNOQFT-SFHVURJKSA-N	416.477	3.908	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc1	777837611	PBNUIWHEISOSIF-HSZRJFAPSA-N	417.509	3.943	10	20	HHCD	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1F	779202556	CLKBUBPBJJQRJN-YBEGLDIGSA-N	402.472	3.729	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc2ccccc2n1CCc1ccccn1	779529516	DOFCSEVVUKEWQD-PKNBQFBNSA-N	400.438	3.737	10	20	HHCD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)c1	785298606	WTGPLJGPEXZOCE-GJZGRUSLSA-N	416.543	3.983	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](c3cccs3)C3CC3)cc2)CC1	785793950	ZZGBBHOGDVYCMX-OAQYLSRUSA-N	411.571	3.868	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H](CC1CC1)c1ccccc1	789859767	HIMRCGYZBZLSEF-QFIPXVFZSA-N	423.582	3.514	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1	797429692	VBEKKXIYOSCPDS-UHFFFAOYSA-N	409.316	3.556	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)Nc1ccnn1Cc1ccccc1Cl	800734518	RAQDMXGINITFOZ-UHFFFAOYSA-N	410.905	3.985	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NC3CC(C)(c4ccccc4)C3)cc2)CC1	804968870	BNCNPZCKYTVGRE-UHFFFAOYSA-N	419.569	3.776	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)cc1)C1CCCCC1	805011161	HZWNQEZLFJRKBD-HXUWFJFHSA-N	412.578	3.609	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C(F)(F)F)cc1C	807754340	DGNYVPMYWSHPAU-UHFFFAOYSA-N	408.420	3.774	10	20	HHCD	
CC[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc23)C[C@H](C)S1(=O)=O	808194977	RYIVQZPULSALMQ-SWLSCSKDSA-N	412.349	3.705	10	20	HHCD	
COc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	808968771	WSOUHTUVGPZCQK-NRFANRHFSA-N	411.546	3.623	10	20	HHCD	
CC(C)(C)OC(=O)NC1CC(NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	809613274	QHMDOOIRVOOFBO-UHFFFAOYSA-N	411.493	3.902	10	20	HHCD	
Fc1cc(CNc2ccnc(OCC(F)(F)C(F)F)c2)ccc1N1CCOCC1	811840609	LXMQFGSIWORIGA-UHFFFAOYSA-N	417.378	3.949	10	20	HHCD	
C[C@H]1CCCN(c2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)ccn2)C1	812476226	UNIBDJFPMWKEDD-SFHVURJKSA-N	410.587	3.801	10	20	HHCD	
C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	920869708	WCWXKZOBWOEFAY-FQEVSTJZSA-N	423.557	3.975	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)OC[C@@H]3CCCO3)c2C)cc1F	921102548	UTBIGWUKHQQQFL-MJGOQNOKSA-N	417.477	3.852	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c(O)c1O	1318181885	YEYFFLDKDHQWSY-UHFFFAOYSA-N	417.767	3.812	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1	1318633148	GNGUGOMHQZWSRT-UHFFFAOYSA-N	414.513	3.794	10	20	HHCD	
Cc1cc(C(=O)NCC(C)C)ccc1NCc1ccc(N2CCN(C)CC2)c(F)c1	1327677562	SDZTYALXEAFXMP-UHFFFAOYSA-N	412.553	3.884	10	20	HHCD	
CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(N(C)C)cc1	8171952	CZVUCUWMIMQIRO-HUUFRCNWSA-N	411.590	3.726	10	20	HHCD	
CCOC(=O)c1cc(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc([N+](=O)[O-])c1	9932411	DVYMABSEFWMHDA-UHFFFAOYSA-N	413.474	3.890	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])s1	25889599	XXWGAPSCQGCLJF-WJDWOHSUSA-N	401.469	3.626	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)c2)n[nH]1	110954879	SSMQRHFQHSGVKB-UHFFFAOYSA-N	408.531	3.655	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@H]2CCc3nc(COC)nn3C2)cc1	236973633	HXZYSNWJYZXRTG-NRFANRHFSA-N	405.546	3.556	10	20	HHCD	
CC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N1CCCC1	237004722	MAGWCSUEISCLQP-LJQANCHMSA-N	413.474	3.543	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(NCc3cc(C)c(C)cc3O)CC2)cc1	237087306	VKCFVPGKGPYFLZ-UHFFFAOYSA-N	402.560	3.561	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)CCCN4C(C)=O)CC2)cc1	726697318	IMVQVVFARMOHJL-UHFFFAOYSA-N	422.529	3.785	10	20	HHCD	
COCCCOc1cccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c1	727176300	JBILRHQRWJXBOT-QGOAFFKASA-N	422.616	3.891	10	20	HHCD	
CCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	728520375	AXCIFIQZZQQFCT-UHFFFAOYSA-N	420.513	3.678	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)c1	729053624	QAVUQCOKEPKLRD-HNNXBMFYSA-N	421.538	3.989	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3ccc([C@@H]4C[C@@H]4C)o3)cc2F)CC1	730193176	YCFACIMJUGWFOJ-FXAWDEMLSA-N	413.537	3.933	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc3c(O)nc(S)nc3c2)cc1F	731373000	FHDQZAVJKCIFKV-UHFFFAOYSA-N	400.479	3.539	10	20	HHCD	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	732202078	HAKRDDGWERFSCB-APWZRJJASA-N	418.484	3.871	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(CCOC)Cc2ccc3c(c2)OCO3)cc1	732241489	KITWLVCQDQYUJE-UHFFFAOYSA-N	413.518	3.620	10	20	HHCD	
COc1cccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)c1O	733900880	ODSUVTPPRZTIJM-UHFFFAOYSA-N	400.482	3.997	10	20	HHCD	
CON(C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	736981605	WKHMVHVURZINLS-UHFFFAOYSA-N	410.518	3.974	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(N2CCNC2=O)ccc1F	737780401	WEGPPUHMZRIXEV-UHFFFAOYSA-N	410.493	3.618	10	20	HHCD	
CC(C)OC(=O)C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1	740919180	FQSYDTNWDOTWJP-QFIPXVFZSA-N	407.514	3.945	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnn(-c4ccccc4)c3)cc2F)C[C@@H](C)O1	741392038	GTHBBTQEOYZSEL-IAGOWNOFSA-N	423.492	3.947	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)cc1F	742252487	DPYPGYZHJVVZEE-UHFFFAOYSA-N	412.553	3.500	10	20	HHCD	
Cc1ccc(F)c(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742335250	ZHFUJNHWWZVGEZ-CQSZACIVSA-N	414.449	3.683	10	20	HHCD	
CCCNC(=O)c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1	742423202	GGORVAOKZZIRSG-MRXNPFEDSA-N	404.461	3.904	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccsc2)NC(=O)OC(C)(C)C)cc1	742750618	ORJGAVNHUMUJIH-GOSISDBHSA-N	403.548	3.739	10	20	HHCD	
CC[C@H](C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C)N1CCCC1=O	745696179	FUHVFKUXDIDJKU-HXUWFJFHSA-N	414.477	3.669	10	20	HHCD	
O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccc(N2CCC(O)CC2)c(F)c1	746010531	LEWVREMFJYWPLU-UHFFFAOYSA-N	422.500	3.881	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1F	746864698	UFQRSRDESSFMGT-KRWDZBQOSA-N	407.898	3.664	10	20	HHCD	
COC(=O)c1cccc(OCc2noc(-c3cc(C)n(-c4ccccn4)c3C)n2)c1	747862458	NDQKTGSSFPQECJ-UHFFFAOYSA-N	404.426	3.905	10	20	HHCD	
Fc1ccc2c(c1)[C@@H](NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)CC2	748269453	OZCVZCRZJDDSAC-QFIPXVFZSA-N	421.495	3.859	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(C(=O)COc4ccc(C)cc4)CC3)c2c1	748787339	HJOBPTXQDJAXPM-UHFFFAOYSA-N	420.509	3.586	10	20	HHCD	
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NCCCSc1nccs1	749730861	XUWNQHHPXOZWMW-UHFFFAOYSA-N	413.952	3.822	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)c1	751319001	QCMXZPRRLOZGBK-JTQLQIEISA-N	410.854	3.781	10	20	HHCD	
CC(C)Nc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1	752793428	IYFKCYDEGMCAPY-IYBDPMFKSA-N	400.498	3.585	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(C[S@@](=O)c2ccccc2)c1	755022712	WWEYBXBBPKQGMB-GDLZYMKVSA-N	410.495	3.770	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(c2ncccc2F)C1	756163419	VSWBDSDFJWESNL-LJQANCHMSA-N	411.525	3.631	10	20	HHCD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H](C)c3ccc(F)cc3O)cc2)C1	756430148	IEQVWSGTGUUSQL-HZPDHXFCSA-N	406.523	3.803	10	20	HHCD	
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](C)c1cc(Br)ccc1O	756596915	ILUGFVLPEPTBMA-SGTLLEGYSA-N	416.319	3.644	10	20	HHCD	
C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(N2CCCCC2)cc1	759597356	YEVKCIAZWQYNDE-NCALTVRCSA-N	410.470	3.672	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCC[C@H]2OCC[C@H]12	760897908	IAGBPJPBZSMFNZ-UTRMSSBJSA-N	409.477	3.514	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)cc(OC)c1OC	761219360	OKEJPKHOCJQERI-UHFFFAOYSA-N	410.873	3.533	10	20	HHCD	
Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccc(O)cc3OC(C)C)cc2F)c1	761999693	IJBVBHHYGSNEMR-UHFFFAOYSA-N	405.451	3.613	10	20	HHCD	
CCOc1cc(CN(C)c2ccc(OC)c(Cl)c2)nc2nc(C(F)(F)F)nn12	766939467	OLMCEAKKZWKMEA-UHFFFAOYSA-N	415.803	3.840	10	20	HHCD	
O=C(CN1CCC[C@@H]1c1ccncc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	767572725	ZQZBXHCLCVAVJU-JOCHJYFZSA-N	411.461	3.633	10	20	HHCD	
CC(C)N1CCN(c2cccc(NS(=O)(=O)c3cc(F)ccc3Cl)c2)CC1	768016499	NCLQAQPRJGHXMK-UHFFFAOYSA-N	411.930	3.810	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc2c(c1)CCCO2	768094049	SRACFRFIVOTCIB-FYYLOGMGSA-N	407.558	3.954	10	20	HHCD	
O=S(=O)(NC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1)c1cccs1	768232167	YXVYJVMGDHRZAM-UHFFFAOYSA-N	421.371	3.703	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(Br)cc2Br)c1O	768384542	JYXABBBHIHLYCB-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC(C)(C)CCN3CCN(C)CC3)c2C)c1	771659727	CICKJXYKAJBAST-UHFFFAOYSA-N	410.606	3.857	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cc(F)ccc1Br	771935315	MIUJRIUFMFPIOJ-UHFFFAOYSA-N	413.312	3.667	10	20	HHCD	
CCCc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n(C)n1	772595032	PFESEPOLZPHFSS-OAHLLOKOSA-N	407.465	3.765	10	20	HHCD	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	772769992	QEUSCRNAZAXOLY-DAXSKMNVSA-N	410.253	3.620	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(N(C)C)cc1	773215523	TVYNGFVNOVSWES-KRWDZBQOSA-N	417.513	3.960	10	20	HHCD	
COCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)cc1	774701858	VNUDWBNHIOSGAL-UHFFFAOYSA-N	418.496	3.544	10	20	HHCD	
C[C@@H](NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	776243131	CFQOKFZUQYZZES-FOIQADDNSA-N	414.937	3.914	10	20	HHCD	
CC(C)CS(=O)(=O)N1CCC(N[C@@H](C)c2ccc(N3CCCCC3)cc2)CC1	777312228	AHJYCMBOSNEEJY-IBGZPJMESA-N	407.624	3.778	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1c[nH]c2c(C)cccc12	777826149	IPPISLSESSOKHP-UHFFFAOYSA-N	414.889	3.970	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1	778728002	RMYCXMASFXEPRJ-MRXNPFEDSA-N	404.917	3.965	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC(n2ccc(C(F)(F)F)n2)CC1	779364879	RZRJUERLWGFHAV-UHFFFAOYSA-N	419.498	3.887	10	20	HHCD	
O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(=O)N(Cc1ccco1)Cc1ccccc1O	785605049	ICLANDVFHACNFW-CMKODMSKSA-N	410.514	3.989	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)c2ccn(C)n2)c(C)n1-c1ccc(OC(F)F)cc1	785677485	HIYJWWGRBMBHSG-AWEZNQCLSA-N	417.412	3.857	10	20	HHCD	
CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	789984103	OWEPFEKZMDBPET-KNQAVFIVSA-N	411.546	3.959	10	20	HHCD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	792591560	MCWLIPAVFBYNAV-HMXCVIKNSA-N	419.569	3.994	10	20	HHCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](c2cccc(C(F)(F)F)c2)O1	793704527	RGWXISFADGAFAL-LIUKBUMOSA-N	409.404	3.799	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c(O)c1	794389964	UJKDAKDKFGUNKL-AUUYWEPGSA-N	423.296	3.543	10	20	HHCD	
CC(C)n1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1	795510903	ATWSEGDQCBIQMB-CQSZACIVSA-N	402.454	3.679	10	20	HHCD	
CO[C@@]1(C)CCCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	796500256	KCEVESUJZXCIGO-CPJLOUKISA-N	420.509	3.680	10	20	HHCD	
CC[C@@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1O	796686570	ZQGQXOHHRBXEED-LJQANCHMSA-N	406.523	3.947	10	20	HHCD	
Cc1cc(C(=O)N2CCn3c(nnc3C(F)F)C2)c(C)n1-c1cccc(Cl)c1	798251847	DYMZGCQYCYVNPY-UHFFFAOYSA-N	405.836	3.933	10	20	HHCD	
FC(F)(F)Cn1nnc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)n1	799302878	ARHJRJUWXBRNKP-UHFFFAOYSA-N	422.358	3.954	10	20	HHCD	
CCCN1C(=O)N(Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C(=O)[C@@H]1COC	804187934	HQKYFSDZCCGZFP-BEFAXECRSA-N	407.942	3.766	10	20	HHCD	
COC(OC)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1	806950297	QNYWDMOMRCEOAS-CYBMUJFWSA-N	410.417	3.571	10	20	HHCD	
CC(=O)N[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1c(F)cccc1F	807837219	HNJFXFNWJQDYMW-OAHLLOKOSA-N	417.239	3.861	10	20	HHCD	
Fc1cc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)ccc1N1CCOCC1	809726049	COBAHSBFQZASKP-WOJBJXKFSA-N	416.497	3.624	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(-c4c[nH]c5ccccc45)n3C)CC2)cc1	809873136	YQYRQIQRKZNFDH-UHFFFAOYSA-N	402.502	3.689	10	20	HHCD	
CC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccc(C(F)(F)F)cc1O	810210878	GOONZGKRQJZPED-MRXNPFEDSA-N	402.438	3.560	10	20	HHCD	
C[C@H]1CN(C(C)(C)CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1	838643027	XOTJFBAFFFXVEA-BGYRXZFFSA-N	416.610	3.706	10	20	HHCD	
CC(C)Oc1ncccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472059	FRCCTLIKJWOMJJ-QGZVFWFLSA-N	403.910	3.622	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	914505908	FAULWFDTRMLZER-UHFFFAOYSA-N	407.474	3.897	10	20	HHCD	
CCOc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1O	915851183	PYZLUMRQHPMRHP-XNTDXEJSSA-N	401.465	3.895	10	20	HHCD	
O=C(NCCc1ccc(OC(F)F)cc1)NCc1ccc(N2CCSCC2)cc1	915924763	GTMPIMPUUVLIEJ-UHFFFAOYSA-N	421.513	3.883	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(CCc2ccccc2)CC1	916383022	XMCADGBVXCUZPB-UHFFFAOYSA-N	408.590	3.991	10	20	HHCD	
CC(=O)c1ccc(OCCCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1	917386374	NKIQAKSGWQWYJP-UHFFFAOYSA-N	412.555	3.918	10	20	HHCD	
CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)s1	918740737	YFSQXGAMFKXPPH-VIFPVBQESA-N	413.571	3.931	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(Br)ccc3OC)CC2)cc1	1116421072	ISQPOUSFMVDAMD-UHFFFAOYSA-N	419.319	3.819	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2c[nH]c(Br)c2)cc1	1318615908	XUUJGYBXZUTZDG-KRWDZBQOSA-N	406.324	3.665	10	20	HHCD	
C[C@@H](CCNC(=O)NCc1ccc2c(c1)CCCN2C)N(C)C(=O)OC(C)(C)C	1322749440	ZNSKHKWQUZWAGM-INIZCTEOSA-N	404.555	3.514	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)cc1	1324200220	KKEDMNVTEFRDCU-UHFFFAOYSA-N	401.488	3.678	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(Nc3cccc(F)c3)s2)cc1	7121842	XPRSHMRRDJQLCT-UHFFFAOYSA-N	417.535	3.895	10	20	HHCD	
CCCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	65465156	COVHSYQDUPRGQF-KRWDZBQOSA-N	410.518	3.546	10	20	HHCD	
CCc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1	139818756	WSVGCOJAQAUONE-UHFFFAOYSA-N	405.521	3.795	10	20	HHCD	
CCc1ccc([C@H](CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)N(C)C)cc1	302905017	YRVFRLIDPPRQGC-DEOSSOPVSA-N	424.589	3.530	10	20	HHCD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\c1nc2ccccc2c(=O)n1CC(=O)O	670370235	RKSZERMSFDFBNS-QXMHVHEDSA-N	418.428	3.593	10	20	HHCD	
COc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1[N+](=O)[O-]	726235019	ROIDFLJFICBXLE-UHFFFAOYSA-N	411.414	3.814	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c1	729049634	KSXVVJMMVJYRCX-CYBMUJFWSA-N	405.882	3.833	10	20	HHCD	
CCCC[C@@H](NC(N)=O)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1	731884584	CPYMOSYXUJHARH-OAQYLSRUSA-N	412.534	3.522	10	20	HHCD	
CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc1	732911347	UUQCRDZTMXUZBV-UHFFFAOYSA-N	424.507	3.999	10	20	HHCD	
CCC[C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	733254342	NQVSMUYAFFNSIQ-OAQYLSRUSA-N	420.619	3.924	10	20	HHCD	
Cc1occc1C(=O)Nc1nc(CC(=O)NCCCSc2nccs2)cs1	733880325	HIIHNUZYLKQAQR-UHFFFAOYSA-N	422.557	3.594	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)c1	734072594	ISIMHVAISRDNLJ-UHFFFAOYSA-N	408.907	3.810	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCCCNC(=O)NC1CCCCC1	734424694	GFTPLUCKLUEVLS-UHFFFAOYSA-N	402.583	3.903	10	20	HHCD	
CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C	735802809	LXTBYHKRAZNHIO-UHFFFAOYSA-N	419.846	3.514	10	20	HHCD	
CSCCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	736040887	WIHMURLMMBNXLN-ACCUITESSA-N	400.616	3.599	10	20	HHCD	
C[C@@H]1Cc2cc(S(=O)(=O)NCCCSc3nccs3)cc(Cl)c2O1	736338500	YIQLOFYMGVRJAU-SNVBAGLBSA-N	404.966	3.581	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)ccc1OC	740606013	WIMWVTVKVJSGSH-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NC(=S)Nc3ccc4c(c3)OCO4)C2)cc1	743015458	GXTZOPUUNRGMBJ-AWEZNQCLSA-N	421.469	3.972	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	743431453	YZPQFUZJUFAPJS-LJQANCHMSA-N	413.518	3.592	10	20	HHCD	
CCOc1ncccc1CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743530311	IOGMKROBYVWJDQ-MRXNPFEDSA-N	420.460	3.550	10	20	HHCD	
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1ccc(N2CCOCC2)cc1	743559634	LBFPJCZSDPYVIV-UHFFFAOYSA-N	412.921	3.700	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(OCCOC)c1	743808075	OWIKVWITSJSRIY-UHFFFAOYSA-N	408.292	3.842	10	20	HHCD	
COc1ccc(Oc2cc(CNC(=O)NCc3cccc(OC)c3O)ccn2)cc1	745476493	YQXFTVRDJZKBON-UHFFFAOYSA-N	409.442	3.596	10	20	HHCD	
CSc1nc(O)nc(C)c1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	747211477	CCYXMXKIKWCRQB-UHFFFAOYSA-N	400.548	3.911	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)cc1	749349534	JPTYEJLBFJRLBS-HSZRJFAPSA-N	424.520	3.517	10	20	HHCD	
O=C(Cn1c(-c2ccncc2)noc1=O)Nc1ccc(N=Nc2ccccc2)cc1	749357993	MWUIJSYLIQWKRD-UHFFFAOYSA-N	400.398	3.952	10	20	HHCD	
C[C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CNC(=O)OC(C)(C)C	749834694	FXSWAXVKLXHJRF-INIZCTEOSA-N	406.527	3.836	10	20	HHCD	
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	750287506	RRTDAUPEXNTZMH-LUHXOMTRSA-N	405.608	3.802	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Br)cc1[N+](=O)[O-]	751069146	BIFCRNFHCGRBBA-UHFFFAOYSA-N	405.248	3.872	10	20	HHCD	
Cc1ccncc1/C=C\C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	752481968	UKKGGIOGLZIWRE-ZDKIGPTLSA-N	424.545	3.851	10	20	HHCD	
Nc1c(Cl)cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl	753081704	JFYRNCDXBAOODN-UHFFFAOYSA-N	413.280	3.873	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)cc1F	753738341	HWVDVRUFAZOTTK-UHFFFAOYSA-N	409.461	3.771	10	20	HHCD	
C[C@@H](CN1CCCC1=O)N[C@H](C)c1cc(Br)cc(Br)c1O	756449977	PUQBZRCYGSLSRY-VHSXEESVSA-N	420.145	3.579	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(Br)cc2N2CCOCC2)c1	756758601	IJEBFGNZHZOBGJ-CQSZACIVSA-N	421.335	3.851	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1cccc(C(=O)N2CCSCC2)c1	758595993	PNPHSKSFLXPQKS-UHFFFAOYSA-N	422.601	3.636	10	20	HHCD	
Cc1cncc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)c1	761575072	HFQDHIJZUOYFLV-UHFFFAOYSA-N	414.468	3.675	10	20	HHCD	
Cc1cc(Cc2nc([C@@H]3CCS(=O)(=O)C3)no2)c(C)n1-c1ccc(Cl)cc1	761626860	MUTOJXOHJHKEGK-CQSZACIVSA-N	405.907	3.623	10	20	HHCD	
CN(C)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccc(Cl)cc1	761839687	UFYHHVLDKOXLEH-QGZVFWFLSA-N	422.312	3.766	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cn1nc(CO)n(-c2ccccc2)c1=S	761999940	CWIIJZZYPARHQU-UHFFFAOYSA-N	423.586	3.975	10	20	HHCD	
COc1ccccc1NC(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	768842521	YMTKZUCVICPHRA-UHFFFAOYSA-N	419.865	3.813	10	20	HHCD	
CCCOc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	768931784	RCTLFMQHCSSLHN-UHFFFAOYSA-N	401.482	3.897	10	20	HHCD	
COc1ccc(Br)c(CC(=O)NCc2c(O)ccc3c2CCCC3)c1	769146061	KCRHJNVADZTXMN-UHFFFAOYSA-N	404.304	3.901	10	20	HHCD	
FC(F)Oc1cccc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)c1	769542700	AJAQOBZHSWHZAV-OAQYLSRUSA-N	404.457	3.698	10	20	HHCD	
Cc1cc(C)c(NC(=S)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)c(Cl)c1	769789625	ABAJNPDPLUYJLU-UHFFFAOYSA-N	419.942	3.871	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C2(CCO)CC2)c(C)n1-c1ccc(OC(F)F)cc1	770530725	HZBRPAOMBQETJP-UHFFFAOYSA-N	407.413	3.584	10	20	HHCD	
COc1ccc2c(c1)nc(CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)n2C	771393586	ZJADEWIJPBGMAR-UHFFFAOYSA-N	407.518	3.522	10	20	HHCD	
CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCc1ccc2c(c1)CCCN2C	771431850	ITVYTPJNEJOCPU-UHFFFAOYSA-N	421.589	3.912	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(-c2csnn2)cc1	771898370	HAIWGUXQFRNBIL-UHFFFAOYSA-N	400.847	3.533	10	20	HHCD	
CC[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)N1CCOCC1	772165384	CWNFRNSZJNJHFZ-HXUWFJFHSA-N	423.517	3.535	10	20	HHCD	
C[C@@H](NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccc(N(C)C)cc1	775405211	RVAYQWAGYZHOGX-LJQANCHMSA-N	423.557	3.638	10	20	HHCD	
CC[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)c(Cl)c1O	775488987	LMFKECYZQCFOHN-QAPCUYQASA-N	405.391	3.948	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(Br)n1	775616342	HAJGYMKPFQKJMP-AWEZNQCLSA-N	424.726	3.598	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1c(=O)cnc2ccccc21	777822849	OCSMBXGOGDDFQM-SFHVURJKSA-N	413.477	3.892	10	20	HHCD	
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1	779526331	XYXRXZBOMWIIHF-ROOORRATSA-N	416.477	3.502	10	20	HHCD	
O=C(Nc1ccc(-c2ccc[nH]2)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	784644316	WCZOCBBMQDRIJD-FQEVSTJZSA-N	419.481	3.534	10	20	HHCD	
CCOc1ccccc1[C@H](CC)NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1	787872147	SOZBCZUXUBMGEE-NRFANRHFSA-N	411.546	3.767	10	20	HHCD	
CC(=O)c1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1C	789996782	SHXAFWLFNYZLKV-IBGZPJMESA-N	400.906	3.951	10	20	HHCD	
COc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1NC(=O)c1cccc(F)c1	790068814	BOVZITXLVYAMEY-UHFFFAOYSA-N	414.364	3.889	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc3ocnc13)c2[N+](=O)[O-]	791005048	XWQCLGMSJZFNLK-UHFFFAOYSA-N	413.345	3.764	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2ccc(Br)cc2C1	792890719	AFXUUSSXGXSTQT-UHFFFAOYSA-N	416.363	3.532	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c(O)c1	797390330	DFFDMKPLIGHOGM-UHFFFAOYSA-N	410.401	3.587	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@H](C)Sc3nncn3C)cc2Cl)C1	800049707	UKGXYAHWNXLBQJ-KBPBESRZSA-N	407.971	3.502	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC3CCN(CC(F)(F)F)CC3)cc2F)C[C@@H](C)O1	800884951	OGIIUCKQXZXAOU-HUUCEWRRSA-N	403.464	3.556	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(O)cnc4ccc(Cl)cc34)CC2)cc1F	801630475	SLWSDTRZWYMZGX-UHFFFAOYSA-N	415.852	3.704	10	20	HHCD	
C[C@H]1C[C@H](CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C[C@@H](C)O1	801745851	XGPBKMDXFIEACD-DQCOHUIHSA-N	421.557	3.832	10	20	HHCD	
C[C@@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	803120695	JQAUGRSDAROLKN-OAHLLOKOSA-N	408.951	3.837	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1	806276677	IXWOHOLGOYSRBC-OAHLLOKOSA-N	409.964	3.759	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1	806278060	OIMKCYYEEWBKPE-JYJNAYRXSA-N	407.605	3.559	10	20	HHCD	
COC(=O)c1c(C)csc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	807005801	JZGIGYYNJRDNBV-UHFFFAOYSA-N	415.515	3.587	10	20	HHCD	
CCS[C@H]1CCCC[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	807700027	FAZOEYJDVQSTLX-QUCCMNQESA-N	416.543	3.695	10	20	HHCD	
C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1(F)F	812067314	MQRVDLHLZCVPSW-UONOGXRCSA-N	403.420	3.944	10	20	HHCD	
C[C@H]1CN(C(=O)CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)CCO1	814772871	HFGGMUVMQPBQPL-LUMBYOQCSA-N	418.565	3.852	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnn(-c2ccccn2)c1N	815951636	LJMGYKYAYNPVFC-QGZVFWFLSA-N	413.481	3.959	10	20	HHCD	
Cc1cc(C(=O)COc2cccc[n+]2[O-])c(C)n1-c1cccc(Br)c1	836838351	QXMQRDHMOXETDF-UHFFFAOYSA-N	401.260	3.752	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc4c(cc3Cl)OCCCO4)CC2)cc1	915335113	NEODIRZCLMYKOE-UHFFFAOYSA-N	417.893	3.864	10	20	HHCD	
CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	915676164	BYLQFIXIDDWONM-SFHVURJKSA-N	401.492	3.648	10	20	HHCD	
CCCOc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)c1	918053303	YCTXAJUTJYLHMK-LJQANCHMSA-N	424.545	3.807	10	20	HHCD	
Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2)cs1	919968878	OPNWXYMXEUAYPP-UHFFFAOYSA-N	410.543	3.585	10	20	HHCD	
O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	1116119810	OYMWNKDRWDIYGT-HSZRJFAPSA-N	416.525	3.720	10	20	HHCD	
FC(F)COc1ccnc(CNC(=S)Nc2ccc3c(c2)OC(F)(F)O3)c1	1116499936	DCQUSXLJKIJWKZ-UHFFFAOYSA-N	403.357	3.534	10	20	HHCD	
O=C(Cc1cccc(I)c1)Nc1c(Cl)ccc2nonc12	1117546960	DBEQJVXYTBLYPE-UHFFFAOYSA-N	413.602	3.662	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1COc2ccc(F)cc2C1	1328595276	RKAPCKAFAQBZEH-DOTOQJQBSA-N	420.431	3.763	10	20	HHCD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	109351921	NCJLFGAFITXTKV-TZMCWYRMSA-N	420.351	3.890	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cccnc3OCC(F)F)ccc21	480861584	RTHGYNQCUPNRGY-UHFFFAOYSA-N	417.456	3.873	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccnc1OCc1ccccc1F	485758319	PCQRQSCHTGVHEZ-UHFFFAOYSA-N	407.445	3.905	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C(C)(C)C(N)=O)cc3)ccc21	606803619	XPAHBEVCIBDGRZ-UHFFFAOYSA-N	407.514	3.920	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCN([C@@H](C)c4ccccc4)C3)CC2)cc1	726612653	JBSDLUXUFIAUEZ-SIKLNZKXSA-N	422.573	3.799	10	20	HHCD	
CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)n(-c2ccccn2)c1C	726946483	NLXNJRNTFQZTGA-QFIPXVFZSA-N	418.541	3.699	10	20	HHCD	
COCCn1c(C)cc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)c1C	726986276	MTJBWFYBTJAUEY-MHWRWJLKSA-N	403.529	3.561	10	20	HHCD	
COc1cc(C2=N/C(=C\c3ccc(N(C)C)c(F)c3)C(=O)O2)ccc1OC(F)F	727658600	HDNRFNJJRWUVOC-ZROIWOOFSA-N	406.360	3.846	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	729665134	FQTXZZHKHWLMEB-UHFFFAOYSA-N	406.489	3.839	10	20	HHCD	
O=C(CNCc1ccc(N2CCOCC2)c(F)c1)Nc1cc(Cl)ccc1Cl	732227839	DVFDZOSSZKFSOC-UHFFFAOYSA-N	412.292	3.697	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1	734069435	LCYBTIJKASAZKS-KRWDZBQOSA-N	421.900	3.657	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1	734405013	OZXJFJORFGKQFX-UHFFFAOYSA-N	413.477	3.792	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C	734406076	MJWWQYLTVGLSMJ-UHFFFAOYSA-N	401.873	3.673	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1	737183695	LWYFJXVILUQUSB-VIFPVBQESA-N	416.783	3.889	10	20	HHCD	
CN(C)CCOc1ccccc1N1CCN(Cc2c(O)ccc3ccccc23)CC1	738284603	MNSLNUPRSMAISO-UHFFFAOYSA-N	405.542	3.808	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1	741088851	DMOHFVIZBNAVIY-VQIMIIECSA-N	404.555	3.506	10	20	HHCD	
COc1ccc(-c2noc(CCC(=O)NCc3c(O)ccc4c3CCCC4)n2)cc1	743719517	DUXARJGJJPETMC-UHFFFAOYSA-N	407.470	3.579	10	20	HHCD	
Cc1ccc(-c2ocnc2C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	745359491	PKUBGXPPHYFEOI-UHFFFAOYSA-N	407.470	3.531	10	20	HHCD	
C[C@H](O)c1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	745789976	DZDUUXKAIFTANA-YJBOKZPZSA-N	419.472	3.810	10	20	HHCD	
COc1ccc(N2CCN(CCNCc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1	748819640	KRAMUPZOZZXEHC-UHFFFAOYSA-N	412.534	3.639	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C(N)=O)s3)c2C)cc1F	748961029	JFRSFVFBCYTHOF-UHFFFAOYSA-N	414.458	3.742	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(CCSc3ccccc3)C2=O)c[nH]1	753138872	PXBNOKGFQSEXMJ-XNTDXEJSSA-N	404.538	3.795	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC3(C)CCC(F)(F)CC3)cc2F)CC1	753175958	XWNRZFAUDXMDCH-UHFFFAOYSA-N	412.500	3.735	10	20	HHCD	
Fc1cc2ncnc(NCc3ccc(N4CCOCC4)cc3)c2cc1Br	753555502	WGJWISNJBSFWFQ-UHFFFAOYSA-N	417.282	3.980	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c1	756685972	PHWWMFRLHCTKAB-FOIQADDNSA-N	418.921	3.556	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1cc(Br)cc(C(F)(F)F)c1	759073952	ABLRNIMCEPGOLB-GHXNOFRVSA-N	421.238	3.770	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(Oc2cccnc2)nc1)c1ccc(N2CCOCC2)cc1	760815334	LTEUHNKZKUWFQT-QGZVFWFLSA-N	419.485	3.988	10	20	HHCD	
C[C@H](NC(=O)NCc1ccccc1O)c1nc(-c2ccc(Br)cc2)no1	760882240	RODAIZFWCJXOKX-NSHDSACASA-N	417.263	3.765	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	762268537	JLPFDPBSPBYSFZ-UHFFFAOYSA-N	416.836	3.513	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H]1CCC(F)(F)C1	763591951	UIMDXKCBRBNCDL-ZDUSSCGKSA-N	407.383	3.529	10	20	HHCD	
COc1ccc(Cl)cc1[C@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	765255036	OGZBHSBSNYYBNA-DOTOQJQBSA-N	401.938	3.901	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)c1O	768226896	QBQFGNVYOWGUIR-ZDUSSCGKSA-N	405.886	3.651	10	20	HHCD	
COc1cc(CN2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c(O)cc1C	768439942	ASRRQLKTOZFUGR-SFHVURJKSA-N	422.529	3.946	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1cccnc1Oc1ccc(Br)cc1	768917304	IRNYDENYTBDOAF-UHFFFAOYSA-N	415.243	3.978	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c2C)cc1	769600398	GOFOQMJLIKUEFL-UHFFFAOYSA-N	419.441	3.817	10	20	HHCD	
CCCN(Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	770467448	BOTWVYAAALXMRA-UHFFFAOYSA-N	419.503	3.502	10	20	HHCD	
CCC1(CC)[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)[C@H]1OC	770833874	ZTKXKEQYMDTKTC-MTNREXPMSA-N	417.594	3.534	10	20	HHCD	
O=C(CCc1nc2ccccc2o1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771065523	NJZSWRPTLCJTPY-KRWDZBQOSA-N	413.905	3.900	10	20	HHCD	
COCC1(C)CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	774233911	KABGQDKLICSLOE-INIZCTEOSA-N	411.493	3.715	10	20	HHCD	
C[C@H](CCc1ccccc1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	774536838	IXYFHGBAGDGUDN-GOSISDBHSA-N	406.482	3.652	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1O	775030372	RGZZRYYTMXHIPE-IBGZPJMESA-N	421.453	3.649	10	20	HHCD	
CC(C)[C@H](NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1	775260305	OJNPYNQDMPPXHY-UUOWRZLLSA-N	413.537	3.826	10	20	HHCD	
CN1C(=O)CCc2cc(CN[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)ccc21	775305761	RIDGUZDMLMQFPT-FQEVSTJZSA-N	413.949	3.709	10	20	HHCD	
O=S(=O)(C[C@@H]1CCCCO1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1	776743130	BYUROAQXGXZCHR-AWEZNQCLSA-N	404.513	3.980	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1	777397282	IKGQVLOWRMOCPF-RLLQIKCJSA-N	414.527	3.562	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1	779493266	MLOIKMOFNNKMJP-WEVVVXLNSA-N	420.431	3.864	10	20	HHCD	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)OCC(=O)c1ccc(O)c(O)c1	782798932	PXKJONFEYRABGZ-UHFFFAOYSA-N	418.243	3.619	10	20	HHCD	
COC(=O)c1ccc(C)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	782896396	MRQNIQVECAWOAU-UHFFFAOYSA-N	424.497	3.787	10	20	HHCD	
O=C(CCc1cc(F)ccc1Br)NCc1ccc(N2CCOCC2)cc1	784625884	KNXZDKWMMNRGMM-UHFFFAOYSA-N	421.310	3.674	10	20	HHCD	
O=C(OCCc1cccs1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785412748	MBTHRFJFHJVZEB-UHFFFAOYSA-N	409.510	3.716	10	20	HHCD	
COC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	787066921	WSVZXXREVQOJGG-KKSFZXQISA-N	417.937	3.925	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc1	787852975	CFUIJBRUPGTHGW-HNNXBMFYSA-N	419.472	3.628	10	20	HHCD	
CCCOc1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1	788868884	GNYMHYSWWUFQER-UHFFFAOYSA-N	411.546	3.962	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cn1	790108890	XBYDBBQNHWEEGR-QXNPKWEFSA-N	403.573	3.554	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@@]2(CCOC2)O1	792864727	MHNNKXIQKHMTDD-FDDCHVKYSA-N	401.551	3.545	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3ccc4c(c3)OCC(=O)N4)cc2F)C[C@@H](C)O1	796695035	NFZQCWQSSOFSFH-XHSDSOJGSA-N	413.493	3.621	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1	797626214	GOPDPFZWMVBYNJ-AWEZNQCLSA-N	420.531	3.564	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1C(N)=O	797676917	GMGGGNIGISWUJF-UHFFFAOYSA-N	410.518	3.835	10	20	HHCD	
Cc1c(NCc2cc(Br)ccc2O)cccc1N1C(=O)CCNC1=O	800293984	QZWYMXLUYSYXBV-UHFFFAOYSA-N	404.264	3.522	10	20	HHCD	
CCn1c(CCc2ccccc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1	801829658	MMZSLOLZRRANEW-UHFFFAOYSA-N	405.546	3.556	10	20	HHCD	
CCOC1CC2(CCN(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)C2)C1	804970555	XZRCDUJDHODWCS-UCFGSXESSA-N	419.541	3.540	10	20	HHCD	
O=C(NCc1ccc(N2CCOC2=O)cc1)NCc1cc(Cl)cc(Cl)c1O	805278125	SNFUKYZNPAVYFE-UHFFFAOYSA-N	410.257	3.655	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@H](C)c3cc4c(cc3O)CCCC4)C2=O)c(OC)c1	806170579	WLMYGUFNTKUELS-ZHRRBRCNSA-N	424.541	3.740	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(C)cc(I)c2)c1O	806683298	FKXYQCTYKWGCIS-UHFFFAOYSA-N	412.227	3.636	10	20	HHCD	
CC[C@H](C)N[C@@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccco1	806683335	GGUKKQIZYWOLCY-UWJYYQICSA-N	414.550	3.686	10	20	HHCD	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1	807097277	XPSPPXKQLFMVDZ-XZOQPEGZSA-N	407.558	3.780	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	808093824	VOUHWAOGZRUZSU-UHFFFAOYSA-N	404.463	3.706	10	20	HHCD	
Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccc(N2CCS(=O)(=O)CC2)cc1	808696541	VWLVJGIFOARCLB-HSZRJFAPSA-N	423.582	3.878	10	20	HHCD	
O=C(NC[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1)C(F)(F)F	811514982	SKDKHWSHRCMPDE-QGZVFWFLSA-N	422.447	3.862	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCCc2occc2C1	812006086	RGUJFXFSNUYWQD-UHFFFAOYSA-N	423.435	3.793	10	20	HHCD	
Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)c1	812378577	HTWABPXZNWMPIY-LJQANCHMSA-N	422.529	3.852	10	20	HHCD	
Cc1cc(Cl)cnc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	813320983	ZIBOBKXZWUUVID-UHFFFAOYSA-N	421.796	3.979	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(N[C@H](c3nc[nH]n3)c3cccs3)CC2)cc1	815573290	FLIVPDUNPMBGED-KRWDZBQOSA-N	405.474	3.816	10	20	HHCD	
Cc1cc(F)ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1	873961627	ASXNWNHDRXPXNN-UHFFFAOYSA-N	406.460	3.830	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CSc2nnc3ccccn23)cc1	915115803	ZEBYNAYSVZITRU-UHFFFAOYSA-N	421.526	3.709	10	20	HHCD	
O=C(NCCOc1ccc(Cl)cc1)NCc1ccc(N2CCSCC2)cc1	915918729	IWQUNODVPQTYST-UHFFFAOYSA-N	405.951	3.771	10	20	HHCD	
C[C@@H]1CCCCN1CCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	916505404	YQEZJDNNZLWENH-TZIWHRDSSA-N	403.567	3.737	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c1	917897421	JSNUCBFRTDVUHR-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c(C)n1-c1ccc(F)cc1	918594321	YOJMEYUFBNMEAB-UHFFFAOYSA-N	420.444	3.884	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1OCCC(C)C	919766559	DXVUFFJFOFXXHK-UHFFFAOYSA-N	412.530	3.887	10	20	HHCD	
CN1CCN(c2ccc(CNCc3cccc(C(=O)OC(C)(C)C)c3)cc2F)CC1	1116489826	ORCWIFPZULRNJO-UHFFFAOYSA-N	413.537	3.823	10	20	HHCD	
CCn1nc(C(C)C)cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	1323217118	HPFSYCOEHSKUMJ-UHFFFAOYSA-N	424.467	3.812	10	20	HHCD	
Cc1ccc(CN2CCCN(C(=O)NCCCSc3nccs3)CC2)cc1	1323817723	ORGVOGFBTINAIL-UHFFFAOYSA-N	404.605	3.851	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1CS(=O)(=O)c1ccccc1	1337411622	AQLPRSSEOLIEIX-ACCUITESSA-N	409.463	3.724	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccs3)C2=O)c(C)n1-c1ccccc1	53863658	GOKWZZLMQDSTEZ-JOCHJYFZSA-N	407.495	3.806	10	20	HHCD	
CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1	54035655	AVKCYDPEWZIORL-UHFFFAOYSA-N	403.529	3.800	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCOc3ccc4c(c3)CCC4)CC2)cc1	110464715	JQYZSDRPHMGFJO-UHFFFAOYSA-N	409.530	3.531	10	20	HHCD	
Cc1c(CNC(=O)N(C)C2CCN(CCc3ccccn3)CC2)n(C)c2ccccc12	472225541	ZCSOPMXDQJOQEB-UHFFFAOYSA-N	419.573	3.730	10	20	HHCD	
Cc1c(CNC(=O)N(C)Cc2cc(Br)cn2C)n(C)c2ccccc12	472226134	SEGWPRGOQASTPT-UHFFFAOYSA-N	403.324	3.929	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)n(C)c2ccccc12	575017316	TZCOJUFISIAMSB-PMACEKPBSA-N	403.526	3.631	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(CCc2cccnc2)C1=O	727863483	BRKAUGQMAGOOLP-BOPFTXTBSA-N	415.496	3.832	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1O	729560067	XALZAROQRFXSLI-UHFFFAOYSA-N	419.481	3.928	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)cc2)CC1	731117997	URYQRVNSDLOUEA-UHFFFAOYSA-N	420.557	3.896	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cnc2c(cnn2Cc2ccccc2)c1	733973107	UZXKWGACDDLCSZ-UHFFFAOYSA-N	409.540	3.848	10	20	HHCD	
C[C@@](O)(CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1F	734004138	PUXVLKZUQFDVGS-OAQYLSRUSA-N	405.445	3.861	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(CNCc3ccc4c(c3)CCO4)c2)cc1	734510530	WPORHKQBDADAPR-UHFFFAOYSA-N	424.522	3.721	10	20	HHCD	
COc1ccc(N(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C(C)C)cc1F	735310251	VTKAIOGXRGHOMO-UHFFFAOYSA-N	403.410	3.956	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1	739816263	ZFKLIGAKSHIUAM-LJQANCHMSA-N	401.466	3.552	10	20	HHCD	
Oc1ccc2c(c1CNC(=S)NC1CCN(Cc3ccccc3)CC1)CCCC2	741874960	KQCGNKADPILTAP-UHFFFAOYSA-N	409.599	3.900	10	20	HHCD	
COc1ccc([C@H]2[C@@H](C(=O)NCc3c(O)ccc4c3CCCC4)CCC(=O)N2C)cc1	743717751	GBFKSQOLTOBXSZ-RDPSFJRHSA-N	422.525	3.506	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3c(O)ccc4c3CCCC4)C2)cc1	743719426	ZCHRUYLUIXZPSK-HXUWFJFHSA-N	406.526	3.748	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)ccc1Br	747860269	RAMMLZDDDPIHHG-UHFFFAOYSA-N	411.321	3.859	10	20	HHCD	
COc1ccc(CCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1	748357478	FTTPLDNDGBGPBQ-BOPFTXTBSA-N	416.480	3.753	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)Oc2ccccc2Br)c1	748977866	NHUVJXNIJOGLRW-OLZOCXBDSA-N	423.307	3.991	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1	749731447	PMIIFCFJIDTSJG-UHFFFAOYSA-N	423.535	3.841	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1	750279845	QBKVOJRFYBZOGS-JOCHJYFZSA-N	403.567	3.793	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)OCC(=O)Nc3nnc(C4CC4)o3)c2C)c1	750414198	WMTVLSOZBBZJTO-UHFFFAOYSA-N	408.458	3.767	10	20	HHCD	
C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	750440181	KFVMKNJQJLKUSL-MRXNPFEDSA-N	404.555	3.587	10	20	HHCD	
CCc1noc(CC)c1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	755127888	PWHXBQPEQHMCLN-GJZGRUSLSA-N	418.513	3.552	10	20	HHCD	
C[C@H](NC[C@](C)(O)C(F)(F)F)c1cc(Br)cc(Br)c1O	756783191	FKONFPGJBZZQTQ-KGFZYKRKSA-N	421.051	3.881	10	20	HHCD	
COc1ccc(C[C@@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	761924281	SSEHAQVYFHZWTE-CQSZACIVSA-N	402.878	3.697	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@H](CO)c2ccc(OC)cc2)cc1F	764400896	MPXLFBKNYJJXFN-OAQYLSRUSA-N	403.498	3.556	10	20	HHCD	
O=C(NCCc1nc2c(s1)CCCC2)NCc1cccc(Br)c1O	764798636	GURGKQXDAHOYTM-UHFFFAOYSA-N	410.337	3.532	10	20	HHCD	
C[C@H](NCCNC(=O)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1Cl	765406185	QYMOHUJBCFNPFN-HNNXBMFYSA-N	422.356	3.911	10	20	HHCD	
COc1ccc(CCCC(=O)NCc2cccc(Br)c2O)c(OC)c1	765731034	XAGZQFHRDHCINY-UHFFFAOYSA-N	408.292	3.811	10	20	HHCD	
O=C(CCc1nc(-c2cccs2)no1)NCc1cccc(Br)c1O	765769267	KYBJDMNQUAMIER-UHFFFAOYSA-N	408.277	3.515	10	20	HHCD	
Cc1cc(C(=O)CN2CCN3C(=O)CC[C@@H]3C2)c(C)n1-c1cccc(C(F)(F)F)c1	766273513	XZLSWIBIMITDTK-GOSISDBHSA-N	419.447	3.602	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1CC(C)C	766458270	CAZMJWISZAXXNH-INIZCTEOSA-N	406.477	3.848	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C)n(-c3ccccc3)n2)cc1	772211412	XJOKYGDSUBOZMV-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC(S(C)(=O)=O)CC2)cc1	772716890	JXHWEFPBBNEOKP-UHFFFAOYSA-N	414.531	3.817	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1cc(Br)cnc1Cl)c1ccc(N(C)C)cc1	773083320	FLVJTJZIKAXCHA-SNVBAGLBSA-N	418.744	3.603	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1ccc([N+](=O)[O-])c(OC)c1O	774908452	IGJIUHLEOOXGHE-UHFFFAOYSA-N	411.252	3.799	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)Cc2cc(Br)ccc2F)c1O	775034258	PDODHRIGXLYRCS-SNVBAGLBSA-N	413.243	3.931	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccc(OC)cc1	775197491	MHVJPADBXCHVPZ-QFIPXVFZSA-N	411.546	3.766	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2cc(Br)ccc2O)cc1	775565229	GMLYTIPMPNKZDD-KBPBESRZSA-N	412.349	3.976	10	20	HHCD	
COc1ccc(O)c(CNc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c1	775749398	KKCAVQVMLPCWTF-HNNXBMFYSA-N	401.482	3.965	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN[C@H]1CCCc2c[nH]nc21	776251552	LXZUOFXXIAKIAP-LBPRGKRZSA-N	401.102	3.808	10	20	HHCD	
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	776748942	RLDLSRHEMJZXMP-UHFFFAOYSA-N	407.629	3.517	10	20	HHCD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)OCC(=O)c1ccc(O)c(O)c1	782781812	BYDSJIDZPHNYQC-UHFFFAOYSA-N	401.415	3.632	10	20	HHCD	
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	784640379	NQSKAJJDNFKJMM-UHFFFAOYSA-N	409.534	3.552	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccccc1OC1CCCC1)c1ccc(N(C)C)cc1	787207520	CYRNKTKILSSISC-KRWDZBQOSA-N	409.530	3.568	10	20	HHCD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)o1	787323459	DNCXTXIDYUZVGD-DNVCBOLYSA-N	408.454	3.547	10	20	HHCD	
COC(=O)c1cncc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1	788551043	WTFVMOIQVQEOLO-UHFFFAOYSA-N	417.512	3.718	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1C1CCCC1	789772138	XLTSCYWTKUBFFB-UHFFFAOYSA-N	410.562	3.699	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c1	790787763	LXNOYAQKBCRVCW-LIRRHRJNSA-N	423.296	3.543	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)c(O)c1	792892719	ZUYIYDVXEBSOTQ-OAHLLOKOSA-N	403.910	3.688	10	20	HHCD	
C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1	793936311	FSNPLYOZRGXOKP-GOSISDBHSA-N	411.521	3.694	10	20	HHCD	
COc1ccc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c(O)c1	794379938	UXYASFSHUUFENF-GOSISDBHSA-N	400.475	3.673	10	20	HHCD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2O)c(C)c1	797389037	MLBUEPJNYHOJTF-CQSZACIVSA-N	402.516	3.855	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H](C)c3nnc4n3CCC4)cc2Cl)C1	799923981	ZOVVIMZVGDJMDH-LSDHHAIUSA-N	416.957	3.674	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc(F)cc2)cn1	800047831	QYCSHOGWUUZWGZ-UHFFFAOYSA-N	407.854	3.727	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1OCC(F)F	802610320	UFCJVDFSCUOXPQ-UHFFFAOYSA-N	406.429	3.804	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)c1ccc(F)cc1F	805311887	FKGIMBDSGATLOL-MRXNPFEDSA-N	417.500	3.688	10	20	HHCD	
CCOc1ccc([C@H]2CCCN2C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	807676523	HFXIWSBPKYMZGP-HTAPYJJXSA-N	409.530	3.692	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cncc(C(F)(F)F)c3)cc2F)C[C@@H](C)O1	808281946	UKIWSCIICRRADS-BETUJISGSA-N	411.399	3.783	10	20	HHCD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)s1	808526127	MEMKKUGRNMILAY-UHFFFAOYSA-N	422.557	3.951	10	20	HHCD	
COC[C@]1(CN[C@@H](C)c2cc(Br)ccc2O)OCCc2ccccc21	810242563	RMOWTMHXAOXTAK-XOBRGWDASA-N	406.320	3.920	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1ccc(F)cc1F)c2[N+](=O)[O-]	914478293	RZSRXAYMNMCGSH-UHFFFAOYSA-N	422.343	3.578	10	20	HHCD	
Cc1cccc(C(=O)N2CCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)c1	914847740	IWXJCOGNBPINSA-UHFFFAOYSA-N	416.525	3.786	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CSc3ccc(Cl)cn3)cc2F)C[C@@H](C)O1	917215249	KUDNBRPVBZLISQ-ZIAGYGMSSA-N	423.941	3.896	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc3cccnc23)cc1	918430407	YVUONABAGLDMEM-UHFFFAOYSA-N	410.905	3.989	10	20	HHCD	
COCCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F	919914725	WGKNWEKDXLDHIP-GOSISDBHSA-N	418.465	3.770	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)ccc1OC(C)C	920473769	WQXWUWCFJOTHGV-LDADJPATSA-N	406.573	3.778	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCCC(=O)c3ccc(OC)cc3)CC2)cc1	1319380822	MORFWUCIVDWNFN-UHFFFAOYSA-N	410.514	3.796	10	20	HHCD	
COC(=O)CC1(CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CCOCC1	1329210076	UVCBBEPAMQMANM-UHFFFAOYSA-N	418.921	3.837	10	20	HHCD	
Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cnn1-c1ccncc1	1341278155	VEJWVDHBTNZCEX-UHFFFAOYSA-N	408.417	3.603	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)NCCOc1ccc(Cl)cc1	96970913	NGYYMPJVWHNHFR-UHFFFAOYSA-N	414.889	3.836	10	20	HHCD	
O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)cc21	195533825	PRBQRCWQKBICRX-UHFFFAOYSA-N	406.872	3.935	10	20	HHCD	
CCN(CC)[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1	303162519	AAXFLAOYWQUZAA-XMMPIXPASA-N	409.574	3.595	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)c2)CC1	303817832	OQYZEISYMRUVQF-UHFFFAOYSA-N	413.543	3.715	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C(=O)OC)c3ccccc3)ccc21	461414654	UNQNWQMPGAPKHI-NRFANRHFSA-N	408.498	3.591	10	20	HHCD	
CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccccc3C)sc2C)s1	727249504	YTMSGWQWAOVVEO-UHFFFAOYSA-N	421.569	3.925	10	20	HHCD	
CCc1ccccc1Nc1nc(N)nc(CN(CC)c2ccc(OC)c(OC)c2)n1	728916773	PWBCCFKJFCZLPV-UHFFFAOYSA-N	408.506	3.804	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1O	729859148	IAONUMSHPHKFCF-GASCZTMLSA-N	413.474	3.721	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cccn3Cc3ccccc3)cc2F)CC1	730236235	ZNNHBJQLOZSZEZ-UHFFFAOYSA-N	420.532	3.747	10	20	HHCD	
CC(C)N(C)c1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	731763872	NYPZYWRUACCNEO-UHFFFAOYSA-N	408.546	3.727	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1	734524006	GJRLKOFIPHIYOD-MRXNPFEDSA-N	402.489	3.665	10	20	HHCD	
NC(=O)c1ccc(N2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)cc1	735486285	YCTBUFCFMMZJGV-UHFFFAOYSA-N	401.466	3.713	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1	735696481	JNCSRTBGGCZOAR-HSZRJFAPSA-N	408.498	3.883	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCCN(C[C@@H]4CCCO4)CC3)c2C)cc1	738316714	FRNRJGIBXYGGGQ-QHCPKHFHSA-N	409.574	3.772	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N2CCCC2)cc1	740919159	DNYYHSCNYWGGBG-XMMPIXPASA-N	420.557	3.708	10	20	HHCD	
O=C(N[C@H](Cn1cccn1)c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	741426790	PTYHEKYXQQGQRX-FCHUYYIVSA-N	420.513	3.721	10	20	HHCD	
CCN(C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1	741734532	FZMKTLLKWLHJNH-UHFFFAOYSA-N	424.570	3.618	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742334409	KGPLWTIWOHSFCT-MRXNPFEDSA-N	410.486	3.852	10	20	HHCD	
COc1cccc(OC)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743736343	PEWBRZRQLRAYJL-CQSZACIVSA-N	406.429	3.704	10	20	HHCD	
O=C(Nc1cnn(Cc2ccccc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	746032184	XGMUIBBRADMVBP-NRFANRHFSA-N	406.486	3.850	10	20	HHCD	
Cc1cc(CCNC(=O)NC2CCN(C(=O)CC(C)C)CC2)c(C)n1-c1ccccc1	749197723	RZWADVFGEQUQQW-UHFFFAOYSA-N	424.589	3.973	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)c2C)cc1	750476589	RRBCJOFZPSUVFP-KRWDZBQOSA-N	424.501	3.637	10	20	HHCD	
CN1CC[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc21	750770392	BSUJJZOLKXPNOG-FQEVSTJZSA-N	415.484	3.997	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)oc1C	751126605	MLRYQHFSADNKSX-UHFFFAOYSA-N	422.484	3.616	10	20	HHCD	
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1	751235010	DIFZISWHNOVOML-UHFFFAOYSA-N	414.458	3.604	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1F	753860530	GJOWDSJFNQQHLZ-UHFFFAOYSA-N	412.292	3.902	10	20	HHCD	
COc1cc(CN2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(O)c(C(C)(C)C)c1	754740937	NDTWPZVZXMOLKE-HNAYVOBHSA-N	422.566	3.812	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1F	758162202	HYCBJDFONMSFDU-UHFFFAOYSA-N	408.234	3.816	10	20	HHCD	
COCc1nc(C)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	758971743	YOUMACAYHJZMQG-UHFFFAOYSA-N	411.474	3.598	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCc2c1cccc2C(F)(F)F	760095012	QMGSLRIXKJRQKO-UHFFFAOYSA-N	423.410	3.953	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@]12CCCO2	760144978	YQGHGPLWOOERMM-QZNHQXDQSA-N	401.551	3.545	10	20	HHCD	
O=C1O[C@@H](COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)CC12CC2	762191327	NVWHTQIBCIUVAV-MRXNPFEDSA-N	407.378	3.843	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ncsc3C(F)(F)F)cc2F)C[C@H](C)O1	764381842	IWVFYLFIWLPFEJ-QWRGUYRKSA-N	417.428	3.845	10	20	HHCD	
CCc1ccc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)o1	765278362	ZKSZZIRKVOTVPF-KRWDZBQOSA-N	409.509	3.949	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@@H]3CCSc4ccc(Cl)cc43)cc2)CC1	765979824	VAXPPZLKNDRVOZ-LJQANCHMSA-N	423.003	3.902	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1	766557221	ZHNUHEBRCMUKIK-OAHLLOKOSA-N	403.320	3.706	10	20	HHCD	
CCCN(C(=O)c1cccs1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1	769843931	AGGBNJZEIQYQJY-UHFFFAOYSA-N	402.516	3.699	10	20	HHCD	
CCN(CC)Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1	771054585	AEMUHIVLYXFGAU-SFHVURJKSA-N	419.953	3.875	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(N2CCCC2)c(F)c1	771911506	ZETTZPLVOJMTMB-UHFFFAOYSA-N	403.841	3.754	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C[C@H](O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	772609757	OUWIICSRKCYZLE-PZPWOCDFSA-N	420.912	3.833	10	20	HHCD	
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773742375	UOHQFQMMJIKAPU-CQSZACIVSA-N	418.497	3.591	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1	775370716	PKBCTMKLJDXQQO-GFCCVEGCSA-N	406.866	3.505	10	20	HHCD	
CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)s1	776750502	GNRMOMKTQJVQKG-UHFFFAOYSA-N	416.952	3.613	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1coc(-c2cccs2)n1	777828068	HEXNZFMHGYRFAL-UHFFFAOYSA-N	420.874	3.506	10	20	HHCD	
CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779523701	DSHOIBBISFNNOY-KYLNKMBASA-N	402.441	3.685	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3ncnc4cccc([N+](=O)[O-])c34)cc2F)C[C@@H](C)O1	780911070	HSLXMJLKJGWJCS-ZIAGYGMSSA-N	411.437	3.903	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)C[C@@H](C)c3nccs3)cc2F)C[C@@H](C)O1	784223700	RLHOFGLRWXBOQJ-OAGGEKHMSA-N	420.554	3.841	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1	787872038	JMHXJUIYNZJAJD-GOSISDBHSA-N	411.546	3.814	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCC1CCC(c2ccccc2)CC1	788938248	QIIRDADDSODCLA-UHFFFAOYSA-N	419.569	3.993	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3noc(COC(C)C)n3)c2C)cc1	794171778	QKOSBFCOGIQCNC-OAHLLOKOSA-N	412.490	3.902	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(Br)cc(Br)c2)c(O)c1	794376488	IFHNBCKGBFVMAJ-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CC3CC(c4ccccc4)C3)cc2)C1	798404763	ULTPVIXAYZLUEE-NJEKYYFSSA-N	405.542	3.588	10	20	HHCD	
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1cc(Br)ccc1O	798502866	WZUKWCVSLAKNBZ-GOSISDBHSA-N	405.292	3.685	10	20	HHCD	
Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(O)c2O)c(Br)c1	799025285	QSODRTLMSYBMRM-OAHLLOKOSA-N	420.303	3.990	10	20	HHCD	
CCn1ncc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C(F)(F)F	799237923	PNNFGDAXRFPIDB-AWEZNQCLSA-N	412.412	3.841	10	20	HHCD	
Cc1nc(C)c(CCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c(O)n1	800049238	NHFMPTUHNHXJBJ-CQSZACIVSA-N	416.953	3.938	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc4c3oc(=O)n4C)cc2Cl)C1	800050379	UVNDXQJTFPFNIE-CQSZACIVSA-N	413.905	3.951	10	20	HHCD	
CC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	800720278	RJXNDOMCBCZVEJ-APWZRJJASA-N	420.985	3.634	10	20	HHCD	
CCCN1C(=O)N(Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C(=O)[C@H]1COC	804187936	HQKYFSDZCCGZFP-HNAYVOBHSA-N	407.942	3.766	10	20	HHCD	
CO[C@@H]1CCN2C(=O)N(Cc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)C(=O)[C@@H]2C1	804188339	MFQBGVBRGJHZGK-GMBSWORKSA-N	405.926	3.518	10	20	HHCD	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)NCCCSc1nccs1	806276905	NMVJPTBTNSYZRR-CYBMUJFWSA-N	403.529	3.707	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1(Cc2ccccc2)CC1	807669684	OOJPNUGRDLJIAQ-UHFFFAOYSA-N	419.569	3.774	10	20	HHCD	
CC(C)c1nnc(NC(=O)CCC(=O)NCc2cc(Cl)cc(Cl)c2O)s1	807841083	RCNNXUNPFLARSV-UHFFFAOYSA-N	417.318	3.709	10	20	HHCD	
CCC1(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CCCC1	807912144	GIUWRWRLHDIQJM-UHFFFAOYSA-N	411.546	3.961	10	20	HHCD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)s1	808528040	VGNFFFHJZSTAQR-UHFFFAOYSA-N	420.497	3.772	10	20	HHCD	
COc1cc(O)c(CN2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc1OC	809780028	IKCSQLNYKQPFIM-GOSISDBHSA-N	406.523	3.823	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(-c4cccn4C)n3CC(C)C)CC2)cc1	812216829	GFCOBDKXPMLCTF-UHFFFAOYSA-N	408.550	3.665	10	20	HHCD	
Oc1c(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)ccc2ccccc12	816498949	XYEOZDLHYVDUFW-OAQYLSRUSA-N	416.569	3.975	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccc(-n4cncn4)c(F)c3)SC2=S)cc1	824017354	LUIFVXPZHYFDGF-MFOYZWKCSA-N	412.471	3.821	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cn3cncn3)cc2)cc1	914456176	QIMPAXXPMLYQFN-UHFFFAOYSA-N	415.497	3.828	10	20	HHCD	
Cc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc(C)c1OCc1ccccn1	915114143	FHBJYTXUROVCBY-CPNJWEJPSA-N	409.511	3.580	10	20	HHCD	
O=C1CN(C(=O)CNc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2N1	917137149	UDPAQCNWRDOQSZ-UHFFFAOYSA-N	419.868	3.968	10	20	HHCD	
O=Cc1ccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)c(Br)c1	917160385	CNLTUAIQKJGBSJ-UHFFFAOYSA-N	417.303	3.557	10	20	HHCD	
Cc1nc2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2nc1C	917709822	GFCUYASAJMYKTF-GJZGRUSLSA-N	422.504	3.929	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)c3cccn3C)CC2)c(C)n1-c1ccc(Cl)cc1	918595864	DBEICBFZFOPHHB-UHFFFAOYSA-N	424.932	3.684	10	20	HHCD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C2	919655421	UAMNESQPEWMVBE-HXUWFJFHSA-N	419.529	3.713	10	20	HHCD	
COc1cc(Br)c(OC)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1	1318910929	YHZFZTGBESYDCQ-UHFFFAOYSA-N	420.303	3.981	10	20	HHCD	
C[C@H](NCc1cccc(CN2CCN(C)CC2)c1)c1cc(Br)ccc1O	1320118566	NBRKLTNAOMJGBK-INIZCTEOSA-N	418.379	3.753	10	20	HHCD	
C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1789208538	UKYYZYZUZQYHJM-KSSFIOAISA-N	409.486	3.677	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cn4ccnc4)cc3)cc2F)C[C@@H](C)O1	108458394	YLNSZFSJEHDYDH-QZTJIDSGSA-N	422.504	3.614	10	20	HHCD	
CCn1c(SCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nc2ccccc21	109180687	LZBUJLDOEFKLMZ-QGZVFWFLSA-N	424.570	3.862	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)c2C)c1	195584425	CJVFEWIPSGETAN-UHFFFAOYSA-N	403.530	3.802	10	20	HHCD	
OC[C@@H]1CCCCN1c1cc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)ncn1	302778685	HHCAKMGLWMXUIR-SFHVURJKSA-N	407.493	3.742	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)n(C)c2ccccc12	572430733	MJCMQVPIAJTNEG-KRWDZBQOSA-N	405.542	3.976	10	20	HHCD	
CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1c(C)c2ccccc2n1C	573037511	XOTBVXCDELPMFG-UHFFFAOYSA-N	403.935	3.867	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	726275671	YFQSQBXCGFXCJU-PKOBYXMFSA-N	418.582	3.930	10	20	HHCD	
C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)CN1CCCCC1	726707268	STTDHNLDUPHPLZ-KRWDZBQOSA-N	424.536	3.678	10	20	HHCD	
O=C(NCCCNC1CCCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726718346	MIOYAWMKVZIBPS-UHFFFAOYSA-N	424.536	3.868	10	20	HHCD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731105351	MAPILCDOSOXKMJ-UHFFFAOYSA-N	415.559	3.957	10	20	HHCD	
CCOC(=O)c1ccc(CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1	731364361	YEJCDGZZKHAPQH-UHFFFAOYSA-N	401.482	3.848	10	20	HHCD	
O=C(OCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1cc(O)cs1	732354461	MWPUJCPBYOZBSK-ZDUSSCGKSA-N	402.453	3.643	10	20	HHCD	
CC(C)=CCOc1cccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	741915287	SPQHGWVLMDPUQT-NRFANRHFSA-N	421.541	3.663	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=S)Nc3ccc4ccccc4c3)CC2)cc1	742910672	MALNFELLAVMJNF-UHFFFAOYSA-N	420.582	3.957	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCCC4(CCOCC4)C3)cc2F)C[C@@H](C)O1	745649798	YIRRDXPYZLVPQM-QZTJIDSGSA-N	419.541	3.542	10	20	HHCD	
CCO[C@H](CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(C)C	746415628	ROEJEVYXZQZYRK-LLGFUMIMSA-N	409.546	3.690	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(COc3ccccc3)c2C)c1	746796950	QCDCSJXIHSUEHP-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1	749299683	WZDVKDFPPDBYTA-UXHICEINSA-N	409.448	3.996	10	20	HHCD	
CN1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21	750780855	WJYSMSCIBNDWHM-JXFKEZNVSA-N	415.484	3.997	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccncc3)on2)cc1	751402968	APUALENXQKVMHP-FQEVSTJZSA-N	406.486	3.624	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	754484848	YNYCDAQYQORFFF-FZKQIMNGSA-N	405.926	3.925	10	20	HHCD	
C[C@H](NCc1nnnn1-c1ccccc1)c1cc(Br)cc(Cl)c1O	756490561	PNZCPZHVLODSJF-JTQLQIEISA-N	408.687	3.635	10	20	HHCD	
C[C@H](N[C@H]1CCCC[C@@H]1N1CCOCC1)c1cc(Br)cc(F)c1O	756658220	HVLPBNDWDLAYCK-ZLIFDBKOSA-N	401.320	3.588	10	20	HHCD	
CCc1cc(N2CCC[C@H](N[C@@H](C)c3cc(Br)ccc3O)C2)ncn1	756710811	FBQVZELECGNDAS-BBRMVZONSA-N	405.340	3.827	10	20	HHCD	
COc1ccccc1N1CC[C@@H](N[C@H](C)c2ccc(Br)cc2O)C1=O	756742772	OEKJRLBYSMCXAX-IUODEOHRSA-N	405.292	3.619	10	20	HHCD	
C[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1cc(F)ccc1O	756757181	CBDCJLYKRYPAIM-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
CN(CCc1ccncc1)Cc1cc(Br)cc(Br)c1O	757886994	IIKZXNFGFRFKPM-UHFFFAOYSA-N	400.114	3.987	10	20	HHCD	
CCO[C@H]1COCC[C@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	759187875	RVOYHVBLXFRFFW-MOPGFXCFSA-N	421.335	3.780	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\c1ccc2c(c1)OCO2	761752484	WVVQYGGFHQNZEF-YWEYNIOJSA-N	404.260	3.945	10	20	HHCD	
COC(=O)Nc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc(C(F)(F)F)c1	763428142	PLHGLAFXYCNABO-UHFFFAOYSA-N	423.391	3.989	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCO[C@H](C2CC2)C1	765316360	QSBPKTDAYXXNEW-APWZRJJASA-N	409.477	3.514	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC(C)(C)C)c1	765859649	QVSOINOHRIQGGH-GFCCVEGCSA-N	404.438	3.533	10	20	HHCD	
C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc(N2CCSCC2)cc1	766872696	PJXXIDNMQZNARA-HRAATJIYSA-N	417.550	3.690	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)c1	767796331	SMCUZYVUWQEUBS-OXQOHEQNSA-N	414.502	3.919	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncc(Br)c1	768915382	KORPWKGLUAMIGW-MRXNPFEDSA-N	424.726	3.598	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCOC2(CCCCC2)C1	769021508	HFLRMJXHCUEONC-IBGZPJMESA-N	403.592	3.921	10	20	HHCD	
CCSc1cccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)c1	769723860	PSQCCGCTKHGNGS-SAPNQHFASA-N	408.614	3.722	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)c(Cl)n1	774088859	KYMFZWMYPSMJJT-CQSZACIVSA-N	409.873	3.943	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(Cc3ccccc3)C3CC3)cc2)CC1	774358277	OFVYNTBZANHSPT-UHFFFAOYSA-N	405.542	3.730	10	20	HHCD	
COc1ccc(-c2nnc(NC(=O)NCCCSc3nccs3)s2)cc1	775832698	AHBAWQXRXAEZRV-UHFFFAOYSA-N	407.546	3.974	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	776078142	UXVVNIMWSJDABV-CDMIOBSGSA-N	416.493	3.998	10	20	HHCD	
COC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c(F)c1	776313954	NNSDSDHBPNBJKL-UHFFFAOYSA-N	412.383	3.883	10	20	HHCD	
COc1cccc(CN[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1O	776948714	GZLOLAAUNNWYNC-KRWDZBQOSA-N	408.420	3.700	10	20	HHCD	
CCNC(=O)COc1cccc(CN[C@@H](C)c2cc(Br)cc(C)c2O)c1	779002407	GIYBRGPYZSJQFA-AWEZNQCLSA-N	421.335	3.829	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	782648430	IQKAVSAGOPPOOO-QZTJIDSGSA-N	404.555	3.730	10	20	HHCD	
CCc1nnc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)s1	784998764	MSIJXVYZJOGJJU-UHFFFAOYSA-N	412.854	3.886	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCSCc2cccc3ccccc23)cc1	785424392	OMAPHZBWFCVJMP-UHFFFAOYSA-N	421.566	3.572	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(Br)n1	786129999	ORTZCYSZTAUBJK-UHFFFAOYSA-N	407.337	3.719	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc21	787126215	NVNWDGLGSVMMHZ-UHFFFAOYSA-N	422.407	3.995	10	20	HHCD	
CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788913261	WMKGFBGVVIGBLL-UPVQGACJSA-N	419.569	3.979	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1C	789728102	USSJCSXWDPCVPF-UHFFFAOYSA-N	420.560	3.953	10	20	HHCD	
CC[C@@H](Cc1ccccc1Br)NC(=O)NCc1ccc(OC)cc1O	792995031	HLVHZKVHJYIMRX-HNNXBMFYSA-N	407.308	3.984	10	20	HHCD	
CCOc1cccc(CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1O	793302208	GVCDJJAJMOAKTC-UHFFFAOYSA-N	406.482	3.609	10	20	HHCD	
CNC(=O)COc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1	793398295	KHSPXQITZHLBIE-UHFFFAOYSA-N	412.490	3.630	10	20	HHCD	
COCC1(CN[C@@H](C)c2cc(F)cc(F)c2O)CCN(C(=O)OC(C)(C)C)CC1	793573188	DGCPFDKCIMDPAV-AWEZNQCLSA-N	414.493	3.985	10	20	HHCD	
Cc1cccc(OC[C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	793797249	FOQUBIDNFYTIKI-FQEVSTJZSA-N	423.557	3.527	10	20	HHCD	
CCC[C@]12CCCN1C(=O)N(Cc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)C2=O	794770891	DEVMKMVRQGRBMU-ZMPRRUGASA-N	403.498	3.536	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN(C)C2(CO)CC2)sc(C)c1-c1ccccc1	796501275	BFJVZPHWUAKUNS-UHFFFAOYSA-N	416.543	3.686	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(c3cccc(Br)c3)CC1)[C@H](O)CO2	799165107	CXMRBQBCRZAGKP-LJQANCHMSA-N	404.304	3.960	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNCc3cn(Cc4cccnc4)nn3)cc2Cl)C1	800276608	PDKIMGRNNCIAKM-KRWDZBQOSA-N	410.953	3.901	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](N2CCCC2=O)C1	801921513	FKTNBDKWGWXQKA-HXUWFJFHSA-N	418.545	3.574	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OCC)C1	802300707	USSGFDPGNRNTMS-MSOLQXFVSA-N	405.539	3.961	10	20	HHCD	
Cc1cc(C(=O)N(C)CCc2nc(-c3ccccc3)no2)c(C)n1-c1ccccn1	804467100	YOEIXJMNOIWFHM-UHFFFAOYSA-N	401.470	3.854	10	20	HHCD	
CCc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl	806678860	AAGHFUBOGWDTRT-KRWDZBQOSA-N	414.937	3.926	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H]1CCCC(C)(C)C1	806760675	SJOSRSIDURRKSI-HNNXBMFYSA-N	411.340	3.588	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccc(F)cc1F	807096289	HVIUTXCSACIVLY-FQEVSTJZSA-N	403.473	3.613	10	20	HHCD	
CC(C)(C)Cc1csc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n1	807513948	ZMZGLYIMRVWBOS-UHFFFAOYSA-N	416.330	3.999	10	20	HHCD	
COc1cc(C)ccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	807692281	DTIBGLOANJUUHH-UHFFFAOYSA-N	410.514	3.687	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1C(=O)OC(C)C	808114188	UGBDMJVEFPCNJC-UHFFFAOYSA-N	401.843	3.859	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccn2ccnc2c1	810228950	OOXDYMVLDQOOQF-UHFFFAOYSA-N	419.407	3.511	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNc3nccc(C(N)=O)c3[N+](=O)[O-])cc2Cl)C1	811843714	ZNOANRWZTWVNEZ-GFCCVEGCSA-N	403.870	3.591	10	20	HHCD	
Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)c(-c2cccnc2)n1	813281188	VVEGMVHNNQTSKE-UHFFFAOYSA-N	419.485	3.884	10	20	HHCD	
COC(=O)c1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)c(Br)c1	814186273	XCXVEVIUIALPMR-JYRVWZFOSA-N	412.330	3.989	10	20	HHCD	
O=C1N=C(SCCN2C(=O)CCC2=O)S/C1=C/c1csc2ccccc12	814772641	XVSKCRYPFVFLEA-NTEUORMPSA-N	402.522	3.754	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1C	818784185	YKDSFVHQNTXRFN-UHFFFAOYSA-N	415.496	3.559	10	20	HHCD	
COc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c(OC)c1	914904858	DTUFOODOESJDQH-INIZCTEOSA-N	408.454	3.935	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)cc1	916088749	GXJLRHXQSVGDBG-UHFFFAOYSA-N	418.496	3.796	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@H]2CCN(CC(F)(F)F)C2)ccc1N1CCCCC1	916835322	PRQUPLFHAJSHSD-MRXNPFEDSA-N	400.445	3.559	10	20	HHCD	
CCNC(=O)COc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	916841979	KKUHEIPTOYKYLW-UHFFFAOYSA-N	412.490	3.712	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3F)n2)cc1	1115961686	ZRWFMMYYRVQKFC-UHFFFAOYSA-N	423.466	3.525	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1F	1116849609	VAIOZJGWUWZFPH-UHFFFAOYSA-N	409.464	3.918	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@@H]2CCCC[C@H]2C1	1253364049	VFRGTMOIKCBHGY-GJZGRUSLSA-N	420.556	3.907	10	20	HHCD	
COc1ccccc1C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	6427844	KXDIGGDNIUBWCH-UHFFFAOYSA-N	400.386	3.510	10	20	HHCD	
CCOc1ccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1OC	110461589	OJKBZPGMEYMNHA-UHFFFAOYSA-N	413.518	3.571	10	20	HHCD	
COc1ccccc1OCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)o1	437004061	CSHWYAMUHRAODU-UHFFFAOYSA-N	408.454	3.972	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1)C1=S=CC=C1	477173032	WXEXXSITZMEZKZ-UHFFFAOYSA-N	416.256	3.975	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(-c4nc(O)n[nH]4)ccc3C)ccc21	571147666	MXNDVVHLLZLKMC-UHFFFAOYSA-N	419.485	3.956	10	20	HHCD	
Cc1nc(-c2ccc(S(=O)(=O)N3CCOc4cc(N(C)C)ccc43)s2)cs1	579820625	RILNNLYLRQXHRX-UHFFFAOYSA-N	421.569	3.834	10	20	HHCD	
O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1C[C@@H](CO)Cc2ccccc21	646527446	BJJZAYNWABCJQN-FQEVSTJZSA-N	424.504	3.805	10	20	HHCD	
CCc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	725875682	HQSVWLFOPLULQK-QHCPKHFHSA-N	423.557	3.781	10	20	HHCD	
O=C(NCCc1ccccc1C(F)(F)F)NCc1ccc(N2CCOCC2)cc1	726237432	MFDHLMIFZZFTSM-UHFFFAOYSA-N	407.436	3.584	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1=NO[C@@H](c2ccccc2)C1	726566997	JWIRMDDPUXBOQA-HXUWFJFHSA-N	415.440	3.891	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c(C(F)(F)F)c1	726708570	OMKYDRVLRNZOGE-UHFFFAOYSA-N	423.435	3.550	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc21	727151616	KHYBOAYTGUPOFV-NRFANRHFSA-N	409.530	3.951	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)N3CCCCCC3)ccc21	728637027	GVINCFIYWJKFSA-GOSISDBHSA-N	400.519	3.852	10	20	HHCD	
CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)n1nnc(-c2ccc(Cl)cc2)n1	729536972	QBHFLHSEWZNJPU-PXAZEXFGSA-N	415.881	3.536	10	20	HHCD	
Cc1cc(C(=O)CSc2nnnn2C2CCOCC2)c(C)n1-c1cccc(F)c1	729937293	UTRFNBUGHJFYMV-UHFFFAOYSA-N	415.494	3.546	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@]3(O)CCCc4ccccc43)cc2)CC1	731364773	MYNQQEPABMGYQE-RUZDIDTESA-N	407.558	3.946	10	20	HHCD	
CC[C@H](NC(=S)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccs1	734371259	ACZLHDAZNOSPTF-KRWDZBQOSA-N	407.580	3.964	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)ccc1F	737380347	HPLBIYOZSXURIB-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
CC[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C)cc1	737517297	LGUYPGQPUJYEAU-IFMALSPDSA-N	407.558	3.897	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1)C1CCCCC1	740909974	MTWADYDLFBLQSV-RXVVDRJESA-N	421.607	3.611	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccn(CCc3ccncc3)n2)cc1F	743191004	WVQFWBLEXRKUJJ-UHFFFAOYSA-N	410.497	3.828	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cnn(-c2ccccn2)c1C(F)(F)F	743719704	PCONPTWZZZTSRM-UHFFFAOYSA-N	416.403	3.801	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O	744141163	HZIDEDMGGUXNIY-QHCPKHFHSA-N	412.509	3.527	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc([C@H](C)O)cc1	745791279	ZXWJXDPODXKZAK-ZDUSSCGKSA-N	407.308	3.940	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)c(C)n1-c1ccc(F)cc1	747209925	HSMHRMBCDKHVDF-UHFFFAOYSA-N	422.504	3.777	10	20	HHCD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	748887895	VAEPTRFPMIPDBS-MRXNPFEDSA-N	418.921	3.684	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H](C)c3oc4ccccc4c3C)CC2)cc1	754628839	HBJHQMHRZUQALR-CTNGQTDRSA-N	423.557	3.584	10	20	HHCD	
Cc1cc(CC(=O)Nn2cnc3ccccc3c2=O)c(C)n1-c1ccc(Cl)cc1	754682966	CRQSWGSOJOCAJX-UHFFFAOYSA-N	406.873	3.770	10	20	HHCD	
O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCOCC2)cc1	756379686	OLVKLIIQKXIOID-IBGZPJMESA-N	409.313	3.616	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3ccc(C)cc3O)CC2)cc1	756496108	NOMPLZKESICKKN-QGZVFWFLSA-N	402.560	3.814	10	20	HHCD	
C[C@H](NCCC(=O)NC(C)(C)C)c1cc(Br)cc(Br)c1O	756682106	GUKJBBIXOSNKLK-VIFPVBQESA-N	422.161	3.873	10	20	HHCD	
COCCc1noc(CN(C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)n1	758847625	FHFHGDMFWFIADC-UHFFFAOYSA-N	402.882	3.592	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)CC2)cc(OC)c1OC	759272251	NXHDOPQCSUKXPK-RBUKOAKNSA-N	417.550	3.513	10	20	HHCD	
Cc1nccn1-c1ccc(CNC(=O)NCCCSc2nccs2)cc1F	759568292	FEDVRKAEOOXYOH-UHFFFAOYSA-N	405.524	3.758	10	20	HHCD	
CC(C)[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCN(c2ncccn2)CC1	759719134	HNGZXEIQCYXPPU-INIZCTEOSA-N	419.620	3.696	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(C)(O)CC2)c(C)n1-c1cccc(Br)c1	759767871	OXWFTNILFZFBRH-UHFFFAOYSA-N	405.336	3.886	10	20	HHCD	
O=C1N[C@H](c2ccc(Cl)c(F)c2)C(=O)N1Cc1ccc(N2CCSCC2)cc1	761101038	SAGUKRAJSXUNQL-GOSISDBHSA-N	419.909	3.825	10	20	HHCD	
COc1ccccc1OC[C@@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761425571	FQWYSUQYDOKMCK-AWEZNQCLSA-N	418.877	3.534	10	20	HHCD	
CC(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1	761432783	VHSVBFPOBHAPMO-UHFFFAOYSA-N	407.558	3.630	10	20	HHCD	
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(Cc1ccco1)Cc1ccccc1O	761747276	UWQZMEHVOKIEIM-UHFFFAOYSA-N	423.860	3.521	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(Cc2ccc(F)cc2)CC1	762156599	BQSIZNTZVDELEO-UHFFFAOYSA-N	402.853	3.972	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)C2CC(=O)C2)c(C)n1-c1ccc(OC(F)F)cc1	765412014	WYQVDTVIFDHXOV-CYBMUJFWSA-N	405.397	3.789	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)CN1Cc1ccccc1	765535119	NPUMLCOEKLFEHE-WMLDXEAASA-N	418.335	3.617	10	20	HHCD	
C[C@H](NCc1nccn1CCc1ccccc1)c1ccc(N2CCOCC2)c(F)c1	766529674	RKQYRBOEPYTDLY-IBGZPJMESA-N	408.521	3.952	10	20	HHCD	
COc1cc(Br)cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1O	768207389	HGTALRQHXMTWAI-UHFFFAOYSA-N	421.335	3.632	10	20	HHCD	
Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(Br)n1	771504061	LUHDVQBQYIJWAU-UHFFFAOYSA-N	419.323	3.653	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC(N3CCNC3=O)CC2)cc1	772069297	XCXRIGYRHBGQAQ-UHFFFAOYSA-N	420.517	3.798	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1-c1ccc(OC(F)F)cc1	773995179	RTJOLIVMZVQDSS-CYBMUJFWSA-N	415.444	3.734	10	20	HHCD	
CC[C@@H](CSC)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	774218378	QCFIMLREEMCMIU-LBPRGKRZSA-N	412.467	3.584	10	20	HHCD	
COCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1	775206493	BEOLKYHFDOWVIA-UHFFFAOYSA-N	417.512	3.716	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(C)n1-c1cccc(C(C)C)c1	775574903	ACMVMIFWFQFZOU-RBBKRZOGSA-N	411.546	3.583	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cccc4cc[nH]c34)CC2)cc(OC)c1OC	776065430	ZVXNZRKBISQLJE-UHFFFAOYSA-N	410.474	3.548	10	20	HHCD	
CC[C@H](C(=O)N1CCC(NCc2cc(OC)c(OC)cc2O)CC1)c1ccccc1	776153834	GCVZOTTWOAKKQA-FQEVSTJZSA-N	412.530	3.684	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccc(C)cc4)n3)CC2)cc1F	777409582	NAIDEEKDEQQOMY-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
CC(=O)N[C@@H]1Cc2ccccc2N(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	780778455	KGYOWVUENPZPDB-HXUWFJFHSA-N	408.502	3.653	10	20	HHCD	
Cc1ccc2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2n1	783316771	MBDYYASCVRJMHP-UHFFFAOYSA-N	404.514	3.985	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-n2nc(C)cc2C)c1	784030307	NPZBEZFRAIPWOV-UHFFFAOYSA-N	406.486	3.572	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCn1cnc2ccccc21	791248889	AGYDVQCJPITAPO-UHFFFAOYSA-N	422.529	3.815	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc(C)c(Cl)cc3C)CC2)cc(OC)c1OC	793815029	KJDXIBSTOQZCEL-UHFFFAOYSA-N	418.921	3.945	10	20	HHCD	
Cc1cc(C(=O)N(CCO)CC(F)F)c(C)n1-c1ccc(Br)cc1	794054027	ORBYGOCZCWJREB-UHFFFAOYSA-N	401.251	3.556	10	20	HHCD	
CN1CCN(c2ccc(CNCc3cc(F)c(F)cc3Br)cc2)CC1	796510332	MXJUBLBMUMHNAP-UHFFFAOYSA-N	410.306	3.769	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C3(C(=O)NC4CC4)CCC3)cc2Cl)C1	800570695	BUMCKSMFJGITSJ-HNNXBMFYSA-N	403.954	3.641	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2ccccc2SCc2c(C)noc2C)C[C@H](C)[S@]1=O	804438401	QOPKVKNOSXDFQF-ZPUDIAPOSA-N	406.573	3.955	10	20	HHCD	
COC(=O)c1cnc(NCc2cccc(Br)c2O)cc1C(F)(F)F	804654770	YQPLQHCLZQQICF-UHFFFAOYSA-N	405.170	3.967	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(N(C)C)cc1	807677212	MSWNVJRSJCIXSQ-QGZVFWFLSA-N	418.541	3.817	10	20	HHCD	
CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	807862412	PJAHOCCQXRFTFZ-SFHVURJKSA-N	411.546	3.513	10	20	HHCD	
O=C(NC[C@@H]1CCCC(F)(F)C1)C(=O)N(Cc1ccccc1O)C1CCCCC1	809762969	FWQOPSJEXVJWAQ-MRXNPFEDSA-N	408.489	3.995	10	20	HHCD	
CC(C)OC(=O)C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	809763525	OQOPLBXBRYSDMK-OAQYLSRUSA-N	400.494	3.835	10	20	HHCD	
CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C(=O)OC(C)(C)C	810112094	IHFGMUPWXMPUQL-VQTJNVASSA-N	401.551	3.939	10	20	HHCD	
COCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccccc1O	812154967	XPTXZNVKLRYLQP-UHFFFAOYSA-N	417.307	3.696	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OC(F)F)c(F)c1	815655685	ZDFZYIKCTQNNEA-UHFFFAOYSA-N	408.420	3.566	10	20	HHCD	
COc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915779528	DPZSOQWRTIDKMB-HXUWFJFHSA-N	418.453	3.899	10	20	HHCD	
CN(Cc1ccc(O)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916632239	SJQOKWBQMAANIQ-UHFFFAOYSA-N	423.435	3.589	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3ccc(Cl)c(Cl)c3)nc12	917025031	OVUPIUYMKZKKHO-UHFFFAOYSA-N	409.273	3.550	10	20	HHCD	
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCC3)c2)ccc1F	917697670	ICIARJDWBMOZRN-UHFFFAOYSA-N	419.522	3.709	10	20	HHCD	
Cc1cccc(OCCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	917711103	KUPUGZNJTOYIFB-HDICACEKSA-N	400.494	3.833	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3OC)n2)cc1	921233888	KBPCNCSSVNFTBC-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(O)(Cc3ccccc3F)CC2)cc1	1343990982	ULAJLYPQKCGXIN-UHFFFAOYSA-N	413.537	3.951	10	20	HHCD	
O=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccc(N2CCOCC2)cc1	108807990	PBUNIJOIIBPVMQ-UHFFFAOYSA-N	409.461	3.566	10	20	HHCD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	109179469	GRFHGULRLMQCLN-MRXNPFEDSA-N	407.518	3.648	10	20	HHCD	
COC(=O)N(C)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	142236232	HNBAAKXWXQVWRB-MRXNPFEDSA-N	412.490	3.609	10	20	HHCD	
CC[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N1CCCC1	236929719	MAGWCSUEISCLQP-IBGZPJMESA-N	413.474	3.543	10	20	HHCD	
CC(C)NS(=O)(=O)c1cccnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1	432867630	SVQROTRNJJHEDS-UHFFFAOYSA-N	414.506	3.682	10	20	HHCD	
CCN1CCN(c2ccccc2NC(=O)NCc2c(C)c3ccccc3n2C)CC1	471118260	CCMAFVIVJOWMEP-UHFFFAOYSA-N	405.546	3.950	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)n(C)c2ccccc12	511444638	BUHOJDBONKBRHP-UXHICEINSA-N	403.526	3.946	10	20	HHCD	
O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(C2=S=CC=C2)o1	542130865	WEPWIXSERQJNSW-UHFFFAOYSA-N	401.509	3.874	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(-c4ccccc4)nc3O)CC2)cc1	726561609	GRMUAVJYDTXFNC-UHFFFAOYSA-N	403.482	3.862	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)cc1	726628638	ZTUSDXGCORNWDC-NTEUORMPSA-N	406.435	3.793	10	20	HHCD	
Cc1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)NC2=S)c1C	727434538	KMDCAEPLMDIXIQ-QGOAFFKASA-N	411.502	3.541	10	20	HHCD	
CCOc1ccccc1[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)NC(C)=O	728234404	JOHHALNEHNLIMM-HSZRJFAPSA-N	423.557	3.910	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc2[nH]ccc2c1	730772339	JTJNQVOTYHLFEZ-UHFFFAOYSA-N	403.404	3.953	10	20	HHCD	
Cc1ncsc1CN(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	731282276	JNPBMIWPPDNQCO-UHFFFAOYSA-N	410.490	3.863	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(Cn3cccn3)c2)cc1F	731363713	LVHROYLGOFICCF-UHFFFAOYSA-N	409.509	3.916	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1	734064982	PJLLECXTIPNDHV-GOSISDBHSA-N	421.900	3.830	10	20	HHCD	
Cc1cccnc1[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C	734525896	KYWBAHTWHSAZRC-FQEVSTJZSA-N	400.498	3.562	10	20	HHCD	
CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C	734701557	FDUAHXPQICYLST-UHFFFAOYSA-N	423.435	3.733	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cn(-c2cccc(C(F)(F)F)c2)nn1	739695723	XXJCYBSYRJKMGR-UHFFFAOYSA-N	415.419	3.816	10	20	HHCD	
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(N2CC=CC2)cc1	741091072	WWHKHQMECWJCCP-DEOSSOPVSA-N	419.573	3.654	10	20	HHCD	
COc1ccc([C@H](NC(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1	741796014	YYLHBNWNMQEUIH-JOCHJYFZSA-N	416.518	3.671	10	20	HHCD	
Cc1noc(-c2ccccc2C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)n1	741914616	TZQOVDAXJQUKRT-UHFFFAOYSA-N	417.513	3.829	10	20	HHCD	
Cc1cc2c(cc1C)O[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C2	742602824	ZQJGYXFRQMRGJG-ISKFKSNPSA-N	408.542	3.881	10	20	HHCD	
CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1C	743045133	ASENAOYTBQNYDD-UHFFFAOYSA-N	406.533	3.761	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C12CCCC2	743703361	WKPVPBRQZAXMGU-LEWJYISDSA-N	401.551	3.655	10	20	HHCD	
CC(C)N(C(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(C)C	744473615	HMENVZKTXCTITA-OAHLLOKOSA-N	407.466	3.653	10	20	HHCD	
CCN(CCCNC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)OC(C)(C)C	745609990	TZXSSXJIDNCXBI-UHFFFAOYSA-N	405.539	3.717	10	20	HHCD	
CN(Cc1ccccc1)C(=O)CNC(=O)N(Cc1ccccc1O)C1CCCCC1	745669761	BOQUMJFZKCVDOE-UHFFFAOYSA-N	409.530	3.895	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc(C(C)(C)C)no1	745916785	BPANFESZPQHPQM-ZBFHGGJFSA-N	402.495	3.525	10	20	HHCD	
Cn1cc(N2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)cn1	746670126	XIPGQRZKZNJZJF-UHFFFAOYSA-N	403.490	3.596	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3cccc(-c4nnc5n4CCC5)c3)ccc21	746706776	WKQVOSYPJFIBSD-UHFFFAOYSA-N	402.502	3.595	10	20	HHCD	
CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	748460412	DVZTWHWFLLDVEH-GOSISDBHSA-N	406.546	3.510	10	20	HHCD	
CCn1cnnc1-c1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	750598205	KWLIHQXJVYCYTD-QGZVFWFLSA-N	420.517	3.684	10	20	HHCD	
O=c1ccc2cc(S(=O)(=O)Nc3nc(-c4ccccc4F)cs3)ccc2[nH]1	751126640	BBVRGRKHGWIGDZ-UHFFFAOYSA-N	401.444	3.592	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)ccc1I	751329058	KDAHVDNKFPRJKD-UHFFFAOYSA-N	424.257	3.961	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc4sc(N(C)C)nc4s3)CC2)cc1F	753740097	ZRFSCZYJVSQCKY-UHFFFAOYSA-N	420.535	3.534	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCC3(c4ccc(F)cc4)CC3)CC2)cc1F	753841581	BRDDGOIZUYEXJW-UHFFFAOYSA-N	401.457	3.537	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cccc(C(F)F)c1Cl	755285513	FIBFBAXLIOLBJO-UHFFFAOYSA-N	405.879	3.971	10	20	HHCD	
C[C@@H](CN1CCCC1=O)N[C@@H](C)c1cc(Br)cc(Br)c1O	756449976	PUQBZRCYGSLSRY-UWVGGRQHSA-N	420.145	3.579	10	20	HHCD	
C[C@H](NCCCNC(=O)c1ccc(Br)cc1)c1cc(F)cc(F)c1O	756525483	PKQXBTHWQMXJSF-NSHDSACASA-N	413.262	3.904	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1cc2c(cc1O)CCCC2	756543572	DDUIYONMRVJBQI-QGZVFWFLSA-N	416.587	3.950	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc([N+](=O)[O-])cc1OC	756860121	HROJSDQGBRDNPX-UHFFFAOYSA-N	409.236	3.734	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)NCCCSc3nccs3)cc2)CC1	758506415	SMLLAMSIRMAPAW-UHFFFAOYSA-N	405.593	3.589	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NC(=O)NCCCSc2nccs2)n1	759584409	NEOVEUWMDNBCJJ-LBPRGKRZSA-N	419.532	3.744	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)c1	761967273	JZMDLUHQFZXYFO-OXQOHEQNSA-N	412.486	3.769	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3scnc3C3CC3)cc2F)CC1	762981885	PXTHCGZHJJKXIK-UHFFFAOYSA-N	403.527	3.623	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)cc1Br	764412914	WOOCYEZEDXDOLH-NTUHNPAUSA-N	411.302	3.847	10	20	HHCD	
Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(Cc4ccon4)C3=O)c2C)no1	764413178	WTZDTABIGQRORS-NVNXTCNLSA-N	400.485	3.780	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1ccc(C(C)(C)C)cc1	764861251	LGDIJGNGFTYMOA-QHCPKHFHSA-N	412.574	3.692	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	764946109	JSPWICZQIFRXPD-HXUWFJFHSA-N	419.566	3.516	10	20	HHCD	
Cc1ccc(OCCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1	765595061	DOHMGPWSMFGWBB-UHFFFAOYSA-N	410.558	3.988	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)cc1	765884348	IUZJIXADWJANPX-NRFANRHFSA-N	400.567	3.608	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3c(C)cccc3Cl)CC2)cc1	767982932	NPPKUBJWHPYTQA-UHFFFAOYSA-N	402.926	3.601	10	20	HHCD	
Nc1nc(CN2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)nc2ccccc12	768216387	ABMHAJXFHISHJX-UHFFFAOYSA-N	416.573	3.520	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(C(=O)OC(C)(C)C)CC2)c1O	769318455	ZUAMUQITJAVTOK-UHFFFAOYSA-N	400.313	3.717	10	20	HHCD	
CCCCn1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C	772488999	LKWZGDVMTAKWIQ-SFHVURJKSA-N	404.942	3.745	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c[nH]c2cccc(Br)c12	773745545	KZYOLTMHGKODCL-NSHDSACASA-N	403.276	3.632	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1-c1ccc(OC(C)C)cc1	773994308	MSDKWFUFECNZMW-INIZCTEOSA-N	407.518	3.920	10	20	HHCD	
O=C1CCc2cc(NCc3ccc(N4CCOCC4)c(F)c3)ccc2N1CC1CC1	775352531	XMNXEHNBAKMYOL-UHFFFAOYSA-N	409.505	3.964	10	20	HHCD	
C[C@@H](c1ccccc1)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1O	776006996	DVOUUJGEVDUZCF-SFHVURJKSA-N	410.539	3.846	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1	779022811	HOVINOBKSOHDKC-UNMCSNQZSA-N	417.594	3.678	10	20	HHCD	
COC(=O)[C@H](NCc1cccc(Br)c1O)c1ccc(OC)c(Cl)c1	779182864	WUZAERFZSCOVBG-OAHLLOKOSA-N	414.683	3.821	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)CC3(O)CCCCCC3)cc2F)C[C@@H](C)O1	779527486	ACUGTZMQZSEWPC-HDICACEKSA-N	421.557	3.666	10	20	HHCD	
COC(=O)c1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1C	782896588	QVMITNTXPGYZCS-UHFFFAOYSA-N	424.497	3.787	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)cc1	785433740	PEZASSKOPBPHNL-UHFFFAOYSA-N	413.568	3.721	10	20	HHCD	
CN(CCCNC(=S)Nc1ccc(Cl)c(S(C)(=O)=O)c1)c1ccccc1	788283858	XBRADUYKJORXHG-UHFFFAOYSA-N	411.980	3.556	10	20	HHCD	
C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)N(C)c1ccccc1	789010154	BYOCGWQGWUXPHV-HNNXBMFYSA-N	413.429	3.670	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)NC(=O)OC(C)(C)C	792257333	KIYVGRGVSQLEQI-HNNXBMFYSA-N	403.479	3.610	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cc(-c3ccccc3)ccc2Cl)c(O)c1	797388841	BSFJGPCYZMVLNQ-UHFFFAOYSA-N	410.857	3.976	10	20	HHCD	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NCc3ccc(OC)cc3O)ccc21	797389712	VGQJGMOFTNMWND-UHFFFAOYSA-N	417.465	3.784	10	20	HHCD	
CCCCC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C	803299885	BRSVQSGHBDGXOJ-GHTZIAJQSA-N	417.594	3.812	10	20	HHCD	
CCCC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccc(OC)cc1	804593791	UUXLXMMXIBXTHM-QFIPXVFZSA-N	411.546	3.734	10	20	HHCD	
COc1ccc2oc([C@@H](C)NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c(C)c2c1	804759207	TZAOISHEWRURSL-HZPDHXFCSA-N	423.513	3.870	10	20	HHCD	
CC[C@@H](NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1O	806134434	KSQMDFYSQDKKSO-HXUWFJFHSA-N	419.928	3.964	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1	806459690	XNXIZHAMMPRICZ-HOCLYGCPSA-N	400.441	3.616	10	20	HHCD	
CSc1cc(C)ccc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	807865041	BFWQHSSVWOLKIR-UHFFFAOYSA-N	413.587	3.836	10	20	HHCD	
COC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	808244931	DUWWXSFZMMXMQZ-HRAATJIYSA-N	417.937	3.925	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cn2ccnc12	815590608	BUSBADCKGKRCTQ-QGZVFWFLSA-N	413.481	3.958	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)c(C)n1-c1ccc(C(C)C)cc1	816996155	JCCMWWSAMJGCTH-GOSISDBHSA-N	402.560	3.724	10	20	HHCD	
CCOc1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1Cl	857473354	XHOXKMMFTYAKRN-MRXNPFEDSA-N	424.328	3.887	10	20	HHCD	
Cc1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1	915290333	NNFOMQMMDGQWMC-UHFFFAOYSA-N	406.460	3.830	10	20	HHCD	
O=C(Nc1ccc(N2CCCC2=O)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	916671982	YWMPTYGHVRKIFU-HXUWFJFHSA-N	409.486	3.732	10	20	HHCD	
CSc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1[N+](=O)[O-]	917383355	CGQKSCWIDVTMKY-UHFFFAOYSA-N	403.529	3.800	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H]3C3CCCC3)cc2F)C[C@@H](C)O1	917835765	IFRURBDMWASILI-KGVIQGDOSA-N	417.569	3.710	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)c2C)cc1	918677273	VTZAWDHZKUBGOZ-UHFFFAOYSA-N	409.442	3.950	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)c1cccc(Cl)c1	921076480	XYGYBGYBJUDWQR-UHFFFAOYSA-N	412.839	3.848	10	20	HHCD	
COc1ccc(C[C@@H](C)N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	1320976192	QWSPEWQTWPSSGZ-RTBURBONSA-N	411.546	3.865	10	20	HHCD	
Cc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1	1321246629	MZEAPTZWRPONDX-CQSZACIVSA-N	419.978	3.992	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1F	726248887	DRTZDNLXLDNQTB-UHFFFAOYSA-N	421.476	3.538	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccccc3N3CCCCC3)CC2)cc1	726707603	CVJRWAGEGLRXEU-UHFFFAOYSA-N	422.617	3.987	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)ccc21	727790269	UIGZVFPTNJLKPP-UHFFFAOYSA-N	405.542	3.805	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCCOC2)c(C)n1-c1ccc(OC(F)F)cc1	727907576	NLWDQDBWBMNNKT-HNNXBMFYSA-N	407.413	3.848	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c2n[nH]cc2c1	728877109	LQIARCMOPWWXLC-UHFFFAOYSA-N	413.481	3.616	10	20	HHCD	
CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)N1CCCCC1	729324859	JJBCIBARSVLCPZ-SVMVAKDDSA-N	405.558	3.566	10	20	HHCD	
CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)n1nnc(-c2ccc(Cl)cc2)n1	729536974	QBHFLHSEWZNJPU-SJKOYZFVSA-N	415.881	3.536	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC[C@@H](C)c3ccc(F)cc3)cc2F)CC1	730121945	FKYXBLGDQSRGRL-QGZVFWFLSA-N	416.516	3.710	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@@H](c2ccccc2F)C1	730672507	IZEVRVJZSCSIDY-QGZVFWFLSA-N	415.484	3.625	10	20	HHCD	
O=C(OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1cc(O)cs1	731911512	KKGBUGAHJLBELH-ZDUSSCGKSA-N	402.453	3.643	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c(C)n1-c1ccc(Cl)cc1	732560293	NEJMENJKCZPEJR-INIZCTEOSA-N	413.827	3.641	10	20	HHCD	
COc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1OC	742797262	AGYXRSMHJFNNAY-AWEZNQCLSA-N	406.429	3.704	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1	743046547	XJMQRWZGKWTRPA-UHFFFAOYSA-N	405.476	3.733	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H](C)NC(=O)C1CCCC1	743809271	QUOIEZVYRFHOEX-ZDUSSCGKSA-N	411.340	3.588	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc([N+](=O)[O-])ccc1F	744372797	MWZVMKKGLZFIML-LBPRGKRZSA-N	409.364	3.734	10	20	HHCD	
Cc1cc(C(=O)Cn2cc(Cl)c(O)nc2=O)c(C)n1-c1ccc(F)c(Cl)c1	746140034	PGCQCCVZEWKNCJ-UHFFFAOYSA-N	410.232	3.685	10	20	HHCD	
COc1ccc(N(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC(C)C)cc1	746169901	FGFMJOHJDYNYQE-UHFFFAOYSA-N	417.937	3.908	10	20	HHCD	
C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)cc2)C[C@@H](C)O1	746813962	AUXKPMDWYPXRRA-RTBURBONSA-N	407.558	3.608	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)CCNCc1ccc(N2CCOCC2)cc1	747625141	ZVFJKWQOYMJNRK-UHFFFAOYSA-N	417.937	3.612	10	20	HHCD	
Cc1cc(COc2ccc(C(=O)NCc3ccccc3O)cc2Br)on1	748346571	NAMKIQBOSLYLIB-UHFFFAOYSA-N	417.259	3.960	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)c2C)c1	749387466	HIAREZDWYANKAF-SFHVURJKSA-N	407.436	3.604	10	20	HHCD	
CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	749654372	NRRLXPWRLFRKQI-UHFFFAOYSA-N	405.498	3.547	10	20	HHCD	
C/C(=C/C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1	749920697	YNWQDJXKGSVOSY-KVVHSQDJSA-N	411.933	3.761	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)NCc1nccn1CCc1ccccc1	751612809	VAPXAKAIIQYUAF-UHFFFAOYSA-N	404.514	3.710	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)c(F)c1	751946211	XWDSQMMTNIJSLP-CYBMUJFWSA-N	413.474	3.948	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	752221407	BBEUHLNKTFHCEC-BBRMVZONSA-N	422.476	3.965	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2ccc(Cl)cc2n1	752636876	GMSJETUNFIUUNO-UHFFFAOYSA-N	413.880	3.918	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cccc4c3OCCO4)n2)ccc1F	753977735	JSHJFHUZDJBIJT-UHFFFAOYSA-N	406.460	3.830	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CN[C@H](C)c2cc(Br)c(F)cc2O)c1	756587842	CWSLOLRJHFWRDF-MLCYQJTMSA-N	414.271	3.695	10	20	HHCD	
CCNC(=O)C(C)(C)CN[C@@H](C)c1cc(Br)cc(Br)c1O	756858188	RKBZBUTUMPVNNL-VIFPVBQESA-N	422.161	3.730	10	20	HHCD	
COc1ccc2c(N3CCN(c4cc(OC)c(OC)c(OC)c4)CC3)ccnc2c1	758939134	AWQKMVOLIIMVAY-UHFFFAOYSA-N	409.486	3.596	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccnc(Br)c1	759066207	UNFFJDXHZUTSEL-UHFFFAOYSA-N	407.223	3.872	10	20	HHCD	
COCCC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCC1	760375072	CGNUWARCEGAUOM-UHFFFAOYSA-N	414.468	3.755	10	20	HHCD	
Cc1ccc(OCCCCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	761052840	UHSAIBXMKXNRTM-UHFFFAOYSA-N	402.878	3.977	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCN(c2cccc(Cl)c2)C1	761965657	NRRZOIQIYPPEBU-KRWDZBQOSA-N	420.296	3.742	10	20	HHCD	
O=C(CN(Cc1ccco1)c1cccc(Cl)c1)NCCc1ccc(O)c(O)c1	762263401	GZMPMGGSSYVDMQ-UHFFFAOYSA-N	400.862	3.710	10	20	HHCD	
CC(C)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1F	762582050	IWRNFSSFERGHTO-UHFFFAOYSA-N	417.506	3.881	10	20	HHCD	
Cc1cc(Br)cc(CNC[C@@H]2CN(Cc3ccccc3)CCCO2)c1O	763395119	VJVQSBYCWDSILY-HXUWFJFHSA-N	419.363	3.844	10	20	HHCD	
CCCC(=O)Nc1ccc(CNC(=O)NCc2cccc(Br)c2O)cc1	764759785	CHYZXDKDSWOYIK-UHFFFAOYSA-N	420.307	3.893	10	20	HHCD	
CCOCCC1(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCC1	765677714	GVQGANKDYAKVPJ-HDICACEKSA-N	421.557	3.835	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c2)CC1	767384104	ZXIHMFNCKRFRRO-UHFFFAOYSA-N	423.517	3.952	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(CCC(N)=O)CC3)c2C)c1	767776361	XZFLNIKZRBHDBQ-UHFFFAOYSA-N	413.587	3.976	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(OC)c2)cc1	768029278	FRVRSCWTALJVHD-UHFFFAOYSA-N	413.518	3.584	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc2c(c1)CCCO2	768094050	SRACFRFIVOTCIB-GGAORHGYSA-N	407.558	3.954	10	20	HHCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)CC1(c2ccc(Br)cc2)CC1	768446981	PWZBXAWAHBXBOI-GOSISDBHSA-N	404.304	3.744	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1	768911040	MNSNATMMGDVHIN-HNNXBMFYSA-N	414.527	3.606	10	20	HHCD	
CCS(=O)(=O)C1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1	769787214	QHOVDBJRQXKZRZ-UHFFFAOYSA-N	402.560	3.750	10	20	HHCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(N2CCN(C)CC2)cc1	771518740	VRINBRFDIYPITJ-NBVRZTHBSA-N	406.555	3.771	10	20	HHCD	
CC(C)(C)Oc1ccccc1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	772912558	ZPZMTFSUZUCVBR-UHFFFAOYSA-N	415.509	3.568	10	20	HHCD	
Cc1oc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2c1C	773260518	RVLHWUBBFUYOKQ-MRXNPFEDSA-N	421.497	3.702	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sc1C	773284779	JLWPZLREILOSJT-ZIAGYGMSSA-N	412.552	3.596	10	20	HHCD	
CCCCn1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1	774293298	YSISVKWJLXYDEA-HXUWFJFHSA-N	400.523	3.588	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1	775174847	UQWYCHOBFSXYIX-VGLFAYCPSA-N	422.250	3.613	10	20	HHCD	
CCOC(=O)[C@]1(C(C)C)CCN(Cc2cc(Br)cc(OC)c2O)C1	775200111	JJPBNRWKASVZFD-GOSISDBHSA-N	400.313	3.575	10	20	HHCD	
CC[C@H](NCc1cccnc1N1CCOCC1)c1cc(Br)ccc1O	775492426	NWJHAAIRXAVFFB-KRWDZBQOSA-N	406.324	3.627	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)N2CCCC2)c1	776099690	CWDDTDFKAIHTAK-FDDCHVKYSA-N	410.562	3.959	10	20	HHCD	
COc1ccc(O)c(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1	777483253	KGWWTUYJDOCEQM-QFIPXVFZSA-N	415.486	3.823	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)NCCCSc2nccs2)c2ccccc12	777998983	YDKVUDODAVQMCR-UHFFFAOYSA-N	421.569	3.715	10	20	HHCD	
Cc1ccc(CNC(=O)c2cccc(CNC(=O)/C=C\c3ccc(O)c(O)c3)c2)cc1	779501526	RXEMFDAEWYYHIE-BENRWUELSA-N	416.477	3.666	10	20	HHCD	
COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)/C=C/c2ccc(O)c(O)c2)c1	779543861	YQMDSSDYDLJHSH-CWSBKQHBSA-N	419.477	3.882	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1	780394081	QDBAMJAKCFURPO-XXBNENTESA-N	401.551	3.796	10	20	HHCD	
COc1cc(N(C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc(OC)c1OC	780775987	ZGFVWONYHZMZKM-UHFFFAOYSA-N	411.458	3.510	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(OC(F)(F)F)c3)c2)CC1	781047405	ORMSMCFSOBYHDE-UHFFFAOYSA-N	407.392	3.506	10	20	HHCD	
O=C(/C=C/c1cccc(O)c1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	781075898	LNWLOEUSNQDURR-QPJJXVBHSA-N	406.404	3.577	10	20	HHCD	
Cc1ccnn1-c1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783315739	ICSINGGCFCXELC-UHFFFAOYSA-N	419.529	3.622	10	20	HHCD	
O=C(NCc1ccccc1O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1	786735399	YZZHESAZDDFAPM-NRFANRHFSA-N	404.466	3.719	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3cncc4ccccc34)CC2)c(C)n1-c1ccccn1	787986010	NJOVIUPFUCUGIQ-UHFFFAOYSA-N	411.509	4.000	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	789455069	ACNDZVKDLREMQI-NRFANRHFSA-N	409.461	3.532	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1nc2c(s1)CCCCCC2)c1ccc(N(C)C)cc1	789743470	HOJXPWJRMMMUBY-AWEZNQCLSA-N	400.548	3.684	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc(Cl)c1F	792500660	SGVWFPSJVZBKED-UHFFFAOYSA-N	403.841	3.964	10	20	HHCD	
CC(C)(C)OC(=O)NCC1CCC(NCc2ccc(N3CCOCC3)c(F)c2)CC1	796265792	LYSOBOZXKSYACR-UHFFFAOYSA-N	421.557	3.835	10	20	HHCD	
CN1Cc2cc(-c3csc(NS(=O)(=O)c4ccccc4F)n3)ccc2NC1=O	799186582	AXXDYZPGIJRIKH-UHFFFAOYSA-N	418.475	3.727	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2F)cn1	800047049	GEHCQHCURUBWTI-UHFFFAOYSA-N	407.854	3.727	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OC	802609647	IBCPQDMTBIXKQQ-UHFFFAOYSA-N	418.515	3.625	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1	802610184	SYVCMAMMRKEQMT-UHFFFAOYSA-N	411.502	3.876	10	20	HHCD	
C[C@H](Cc1cncc2ccccc12)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	805167412	GHSFKOALACLKRQ-QGZVFWFLSA-N	407.489	3.706	10	20	HHCD	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806878678	VCWNZJYGQKODLA-ZHALLVOQSA-N	422.520	3.525	10	20	HHCD	
Cc1ccc([C@H](NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ccccn2)cc1	807672192	XIHDYIPRJFEOFA-JPYJTQIMSA-N	416.525	3.539	10	20	HHCD	
CS[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)(C)C	808760294	GKAAGZXBFFCIEN-LJQANCHMSA-N	405.608	3.529	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1	808787969	OASQBUQBNOQWLS-IZZNHLLZSA-N	417.553	3.776	10	20	HHCD	
Cc1nccn1CCCN(C)Cc1cc(Br)cc(Br)c1O	809753672	XGILWSFAKHAEAV-UHFFFAOYSA-N	417.145	3.944	10	20	HHCD	
C[C@H](NC[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1Cl	810245444	BWTCSAAUUDVZQB-JWNTYJGQSA-N	400.950	3.993	10	20	HHCD	
CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1ccccc1	812050876	ATPUETRNWXVYCX-UHFFFAOYSA-N	407.518	3.587	10	20	HHCD	
COC1(C)CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1	812394731	XHMYPILVJRZBDW-IBGZPJMESA-N	421.545	3.614	10	20	HHCD	
Cc1cc(CN[C@@H](C)c2cc(Br)cc(F)c2O)nc(N2CCCC2)n1	813884721	HIGBWBFDORVYPX-LBPRGKRZSA-N	409.303	3.843	10	20	HHCD	
C[C@H](NC(=O)[C@H](C)[C@@H]1OCCc2sccc21)c1ccc(N2CCOCC2)cc1	814112797	BQFAGZPQTBRVCR-XFQAVAEZSA-N	400.544	3.712	10	20	HHCD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	815860221	BECRZCXFYKMLEL-XLIONFOSSA-N	405.498	3.722	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc(OC)c1	916668049	BWBRFDWRHQSODW-HUUCEWRRSA-N	417.481	3.778	10	20	HHCD	
O=C(CCCN1C(=O)c2ccccc2C1=O)N(Cc1ccco1)Cc1ccccc1O	917361328	CWIWNYQITYHFJV-UHFFFAOYSA-N	418.449	3.590	10	20	HHCD	
COc1ccc(CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)cc1	918223723	ITPFFCUHLCBZLC-UHFFFAOYSA-N	413.493	3.545	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(OC(F)F)cc1	918309229	FSCHDKGJSJJWAS-UHFFFAOYSA-N	417.456	3.875	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2N2CCCCC2)C2CC2)cc1	918455250	HTBUSHLAZSUONW-UHFFFAOYSA-N	420.557	3.873	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3cn(C)nc3-c3cccnc3)SC2=S)cc1	920064846	MCAXMIAZSRWKJF-WOJGMQOQSA-N	421.551	3.954	10	20	HHCD	
Cc1cc(N2CCOCC2)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920873199	ZJMOMLVWBOSHPM-LJQANCHMSA-N	424.545	3.551	10	20	HHCD	
Cc1cnn(CC2CC2)c1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1318756455	FOWFARDOHNCFMU-UHFFFAOYSA-N	419.476	3.993	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCC(Nc3ccccc3Cl)CC2)cc1	1319472722	ZDERMIZSGZZTOV-UHFFFAOYSA-N	400.954	3.599	10	20	HHCD	
CC[C@H](NCCN1C(=O)COc2ccccc21)c1cc(Br)ccc1O	1338309750	CECDQKCSHLNEEK-HNNXBMFYSA-N	405.292	3.621	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3C)c2C)cc1	24466288	KNQKSJFDXYXZQX-UHFFFAOYSA-N	424.526	3.862	10	20	HHCD	
CCOc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	71806328	YBQYPJUIXLGGMQ-UHFFFAOYSA-N	410.514	3.543	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	725751310	PBCSBCFQUSOTRU-SFHVURJKSA-N	412.534	3.961	10	20	HHCD	
CNS(=O)(=O)c1ccc(Nc2ccc(NCC3CCCC3)cc2)c([N+](=O)[O-])c1	726374108	YNYUIDDJOVONIX-UHFFFAOYSA-N	404.492	3.849	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1=NO[C@H](c2ccccc2)C1	726566996	JWIRMDDPUXBOQA-FQEVSTJZSA-N	415.440	3.891	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1	726626634	DRICGWMHUSEVBK-ZROIWOOFSA-N	419.325	3.954	10	20	HHCD	
COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1	727251105	VKXJYORVQPWLMG-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CCc1ccc([C@@H](C)C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1	727729322	XBHVWGGKTHBZOB-HXUWFJFHSA-N	409.574	3.690	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(C)Cc3ccccc3)ccc21	728636964	FJEYYHGPXQQWNC-UHFFFAOYSA-N	408.498	3.720	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1SCC(N)=O	729631629	MNAILQRMPKOORM-UHFFFAOYSA-N	400.548	3.773	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)cc1F	731404693	ODRCBYVWICICCB-AWEZNQCLSA-N	401.486	3.723	10	20	HHCD	
CCCN(CCC)c1ccc(CNCC2CCN(S(=O)(=O)C(F)F)CC2)cc1	732985364	FZLCCGKSLRLYQX-UHFFFAOYSA-N	417.566	3.667	10	20	HHCD	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	734660236	NGRMQBHSQPIYNW-PXNSSMCTSA-N	411.521	3.874	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c1	735113712	RXQWDKRDWWFEGU-KGLIPLIRSA-N	421.444	3.641	10	20	HHCD	
O=C(Cc1csc(-c2cccnc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	735517217	INEJKLDVMANWRJ-LJQANCHMSA-N	409.511	3.661	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1F	737165494	DVVNFUZRLRFZKE-UHFFFAOYSA-N	407.445	3.939	10	20	HHCD	
CC(C)C[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	740780623	GVJMVNWXNKRJGS-JTHBVZDNSA-N	407.558	3.834	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1	742590586	UQVNSJDTUYFCCM-UHFFFAOYSA-N	400.910	3.598	10	20	HHCD	
C[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccco1	742748970	BQQBWHVEORIZMZ-QAPCUYQASA-N	401.507	3.831	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)c1	743337623	XUYMFKOOMUNDMB-LLVKDONJSA-N	403.385	3.883	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(OCC4CC4)CC3)cc2F)C[C@@H](C)O1	743554517	HANWJALZEGURLT-IAGOWNOFSA-N	419.541	3.540	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3coc(-c4ccccc4)n3)CC2)cc1	745846836	IPLOMNIYSVYALH-UHFFFAOYSA-N	406.486	3.772	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1	746148312	NTBGAKGBOJPJBA-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
CCC(CC)(NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)C(N)=O	749383046	JUKLNLPUGNMDGS-UHFFFAOYSA-N	406.324	3.631	10	20	HHCD	
COc1cccc2c1OCC(C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)=C2	750876470	ZUDHDTBUQRLKAG-QFIPXVFZSA-N	422.525	3.745	10	20	HHCD	
CC(C)CCN1CCC(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	751110562	FNMMJVFHYMBTPH-QFIPXVFZSA-N	417.594	3.841	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(Br)c(C)c2)c1	751319009	QMOICPUKNGWKPS-LLVKDONJSA-N	400.294	3.511	10	20	HHCD	
COc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F	751360543	IRQPKMKGYBLXNG-MRXNPFEDSA-N	414.477	3.511	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1	751678671	NTZUMGOJBFQEPR-HXUWFJFHSA-N	401.551	3.987	10	20	HHCD	
C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc(N2CCCC2)cc1	752148445	HPGCXIPMXOGITQ-PKOBYXMFSA-N	416.566	3.732	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1	753635939	WMXGHDPTRRAXAV-NSHDSACASA-N	416.275	3.611	10	20	HHCD	
CCCOc1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1OCC	753739683	UVQZIUJBNMTLTM-UHFFFAOYSA-N	416.493	3.984	10	20	HHCD	
C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	754060883	GDJOTLBTANUQBB-HNNXBMFYSA-N	404.913	3.935	10	20	HHCD	
COc1cc(C)cc(CN2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1O	754726763	TYZRRWNRIIUUOK-SFHVURJKSA-N	422.529	3.946	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(Br)c(=O)n(C)c2)cc1	755629824	UNBZNHRMMHZMFW-UHFFFAOYSA-N	400.276	3.808	10	20	HHCD	
C[C@H](NCc1cc(F)ccc1N1CCOCC1)c1ccc(Br)cc1O	756601771	AUORLCJDEIICGW-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc(F)cc(C(F)(F)F)c1	756634856	GYZJKQHSDUFQIU-UHFFFAOYSA-N	412.383	3.726	10	20	HHCD	
COCCN(CCN[C@H](C)c1ccc(Br)cc1O)C(=O)OC(C)(C)C	756779318	JBHMSALROUIBDJ-CYBMUJFWSA-N	417.344	3.689	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c1C	756921671	VWQGHENZLWQCPE-AWEZNQCLSA-N	406.504	3.812	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	757275767	RKDVPHPMFSXNQL-JOCHJYFZSA-N	422.573	3.518	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)CC2)cc1	757669491	HLOKQQPJFKNOFM-DENIHFKCSA-N	422.573	3.626	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc4ccn(C)c4c3)CC2)cc(OC)c1OC	759984909	HCWAUDKMZPMLLS-UHFFFAOYSA-N	424.501	3.558	10	20	HHCD	
CC(C)(C)c1ccc(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	764972400	VXZFWNXEJMPMNU-HXUWFJFHSA-N	407.558	3.545	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@@H]3CCCOc4c(Cl)cccc43)cc2)CC1	765977766	IQCJFHRSVXSFPE-HXUWFJFHSA-N	420.962	3.578	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1c2ccccc2CC[C@@H]1C	767816649	STQGHNDJOMXBEN-UFYCRDLUSA-N	407.558	3.930	10	20	HHCD	
CCC(CC)n1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	770266527	SUYXAOJVJFQHSR-IYBDPMFKSA-N	402.514	3.927	10	20	HHCD	
O=C(C[C@@H](O)c1cccc(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	772637783	NDXSGJRDXCQZPY-LJQANCHMSA-N	408.420	3.636	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(N(C)C)cc1	773631864	YYWDFOAHEXIVLG-KRWDZBQOSA-N	417.513	3.960	10	20	HHCD	
COc1ccc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Br	773751230	NVVCHODESJUDFF-GFCCVEGCSA-N	408.292	3.549	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(F)cc3)C3CCCC3)nc12	775178521	WRKJNRNVDUWXQP-FQEVSTJZSA-N	412.465	3.772	10	20	HHCD	
Oc1c(Cl)cccc1CN1CCN(CCCc2nc(-c3cccs3)no2)CC1	775644418	FXXDVHNMOUCMEH-UHFFFAOYSA-N	418.950	3.908	10	20	HHCD	
COc1ccc(F)cc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	775824278	PKSCIMJNUSIMBZ-OAQYLSRUSA-N	400.494	3.651	10	20	HHCD	
C[C@@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1	776156988	PVUQFTBKIQMVMN-LJQANCHMSA-N	422.573	3.594	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(C)n1-c1ccccn1	776543755	BWBDJVKMHGZXKY-IBGZPJMESA-N	412.534	3.864	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](c3ccccc3)c3ccccn3)cc2)C1	779020342	RAKWUXBLXUNBKD-QPPBQGQZSA-N	400.526	3.663	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)cc1F	781336159	OQYFQXHLYXGYHY-UHFFFAOYSA-N	420.550	3.713	10	20	HHCD	
COc1ccc(N2CCC(N[C@H]3CCN(c4cc(OC)cc(OC)c4)C3)CC2)cc1	781517408	DYDADAPSSZEYHI-IBGZPJMESA-N	411.546	3.550	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c1	782796681	NDCQKFYJQDWULS-NSHDSACASA-N	422.428	3.672	10	20	HHCD	
COc1cc(N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([N+](=O)[O-])cc1OC	784219670	HGSYNFGPTBRCTK-KKUMJFAQSA-N	421.494	3.742	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c1	787484576	DZPRFCSPCBCOEO-OAHLLOKOSA-N	421.453	3.712	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(C(=O)N3CCC(O)CC3)c2)c(C(F)(F)F)c1	792868446	SDXWAZFZQZTXRZ-UHFFFAOYSA-N	421.463	3.980	10	20	HHCD	
NC(=O)[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1cccc(Br)c1	793265753	JOORYMAKDJLEIQ-ZDUSSCGKSA-N	404.091	3.778	10	20	HHCD	
CC(C)(C)OC(=O)NCc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1	799184399	JMBGYYAWCGVFPQ-UHFFFAOYSA-N	420.516	3.517	10	20	HHCD	
CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	799994132	KNAFFSNFYGSTFF-APWZRJJASA-N	420.985	3.586	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H]3COc4cc(F)c(Br)cc43)cc2)CC1	800307736	XHRVZUHFEAHACD-LJQANCHMSA-N	420.326	3.563	10	20	HHCD	
CC[C@H](C)N[C@@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccco1	807441979	SSKOSLNBFWKLRJ-RXVVDRJESA-N	414.550	3.639	10	20	HHCD	
Cc1ccc2cccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)c2n1	807513229	VCLYNDQQCSAXOO-UHFFFAOYSA-N	404.253	3.811	10	20	HHCD	
C[C@H](CCOCc1ccccc1)NC(=O)NCc1cccc(Br)c1O	807607216	MQNRVMPGWYCXKP-CQSZACIVSA-N	407.308	3.949	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C3CC3)[C@H](C)C3CC3)cc2Cl)C1	807952835	QELQZQARWJJNKY-JKSUJKDBSA-N	417.981	3.982	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3cnc(C(F)F)cc3=O)c2C)cc1	813580766	SXJXBQOGLVQYQR-UHFFFAOYSA-N	401.413	3.870	10	20	HHCD	
Cc1nsc(NC2CC2)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	814327987	VQHYSLCEPAWBHN-CHWSQXEVSA-N	418.538	3.709	10	20	HHCD	
CCNC(=O)NC(=O)[C@@H](C)SC1=NC(=O)/C(=C/c2csc3ccccc23)S1	814771778	FORPJCANDSMQBG-DOQDJBIESA-N	419.553	3.839	10	20	HHCD	
CCCOc1cccnc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857471814	BNZAVPQEFAJRIC-KRWDZBQOSA-N	403.910	3.624	10	20	HHCD	
CNC(=O)c1ccc(OC)c(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1	915706211	CSBNEDBDYQZOGG-UHFFFAOYSA-N	420.513	3.827	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)cc1	917116228	OAOJCDSNUHZJKL-UHFFFAOYSA-N	410.539	3.829	10	20	HHCD	
COc1ccc(N2CCCN(Cn3nnn(-c4ccc(C)c(C)c4)c3=S)CC2)cc1	917487043	GIMAPZOZCPJIGP-UHFFFAOYSA-N	424.574	3.594	10	20	HHCD	
COc1ccc(C(=O)N2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)c(OC)c1	917620077	GXVYLLOAPJXHKL-UHFFFAOYSA-N	412.530	3.799	10	20	HHCD	
Cc1cc(C)n([C@@H](C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	917713268	KBGCLHVDFWQQGQ-OKZBNKHCSA-N	402.514	3.520	10	20	HHCD	
CNC(=O)c1ccc(Cl)c(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	918038218	KMHPKGMOBYWRQR-UHFFFAOYSA-N	400.910	3.962	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)cc1	918043697	LFWSKYKHQGELCY-UHFFFAOYSA-N	412.534	3.907	10	20	HHCD	
Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	918122956	OLMSMKMMFQUOST-GMAHTHKFSA-N	420.557	3.743	10	20	HHCD	
COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1	921234360	ZEWLBFAWBXBPDL-UHFFFAOYSA-N	418.496	3.699	10	20	HHCD	
O=C(NCCc1coc(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	1318177785	RICMMSMAKZQMKO-OAQYLSRUSA-N	421.497	3.981	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3nc4cc(Cl)ccc4o3)CC2)cc1	69607264	ZEWAGEHYRTZKPV-UHFFFAOYSA-N	417.918	3.931	10	20	HHCD	
Cc1nc(-c2ccc3c(c2)CCN3C(=O)COC(=O)c2ccc(C)c(O)c2O)cs1	110527713	TUDHVUZXLFOPCM-UHFFFAOYSA-N	424.478	3.584	10	20	HHCD	
COc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccc(C(N)=O)cc2)C1=O	726626763	FOKRHLJDWWSCJL-OQLLNIDSSA-N	404.900	3.853	10	20	HHCD	
C[C@H]1CCCN([C@@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	726706134	YNXSKMPVLMIIBC-IRXDYDNUSA-N	424.536	3.676	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc2c1OCCO2	728839480	PQLVDDGZACNSLF-UHFFFAOYSA-N	424.419	3.737	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cc(Br)ccc2F)c1	728950358	LQNHIHRZBQFXDG-LLVKDONJSA-N	411.271	3.905	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H](Cc2ccccc2)C1	730024440	ISRVDFZUYUVMRQ-OAQYLSRUSA-N	411.521	3.827	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCCCOC3CCCCC3)cc2F)CC1	730112792	ILSOSAUUTUZKBH-UHFFFAOYSA-N	420.573	3.506	10	20	HHCD	
COCCCN(Cc1ccncc1)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	730253224	COOHLQKEZMCZOH-UHFFFAOYSA-N	406.482	3.763	10	20	HHCD	
CCCC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731404393	LEZNPABZGURZBS-GOSISDBHSA-N	406.546	3.510	10	20	HHCD	
Cc1cc(C(=O)NCCN2CCSCC2)c(C)n1-c1ccccc1Br	732777100	HHOUXTVKUIFYGH-UHFFFAOYSA-N	422.392	3.635	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1	734006098	JVIWNUAOBMGSOK-MRXNPFEDSA-N	422.451	3.729	10	20	HHCD	
COC(=O)[C@](C)(NC(=O)c1cc(C)n(-c2ccccc2Br)c1C)C1CC1	736256375	CFRFIWPFQSUDIR-HXUWFJFHSA-N	419.319	3.928	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1	740920101	SCDPYJASNQXTFH-OAQYLSRUSA-N	404.558	3.869	10	20	HHCD	
CC1CCN([C@@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745782054	AWVPVNSMVDYWQO-ROUUACIJSA-N	424.536	3.676	10	20	HHCD	
Cc1cnc([C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)s1	745866063	GMDDBZAVRZTSEO-MJGOQNOKSA-N	401.532	3.999	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H](OC)c3cccc(Cl)c3)CC2)cc1	745913296	WNLDMLDHMHUJRF-OAQYLSRUSA-N	417.937	3.958	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1	746016256	YBMYGLYEWITREA-UHFFFAOYSA-N	423.904	3.721	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cc2)C1	747365908	ARFSKVUIRBXSEA-AWEZNQCLSA-N	406.313	3.625	10	20	HHCD	
CCN(CCC(F)(F)F)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	748184582	TXPFLHUIGXDGAX-UHFFFAOYSA-N	420.343	3.785	10	20	HHCD	
COc1cccc(CNC(=O)CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1O	748311272	QFMOPWKFNKHRTC-ZXFUBFMLSA-N	404.507	3.585	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(SC(F)F)cc1	749729860	CCDBUMJLLWMMPL-UHFFFAOYSA-N	403.501	3.695	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1O	750044672	ZKKZKDMWHAJVAO-UHFFFAOYSA-N	404.894	3.852	10	20	HHCD	
CC(=O)c1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1	751060098	QTAMSSARBIDNBY-UHFFFAOYSA-N	416.480	3.709	10	20	HHCD	
COc1cc(C)cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	752149453	MKRKRZZAQDEXMD-CALCHBBNSA-N	415.509	3.756	10	20	HHCD	
COc1cc(C)cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	752149456	MKRKRZZAQDEXMD-IRXDYDNUSA-N	415.509	3.756	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3cccc(Br)c3)CC2)cc1F	753733363	YNKUDPHWHZFNCS-UHFFFAOYSA-N	421.310	3.878	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(Cn2ccnc2)c1	754549983	FTMRKGHCUJNEEN-UHFFFAOYSA-N	407.429	3.959	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	757945967	OTAGYQQHIUMODD-QGZVFWFLSA-N	411.493	3.570	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(Cl)c(Br)c2)c1	758112694	DITPEYJHASATSH-VIFPVBQESA-N	420.712	3.856	10	20	HHCD	
CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCCSc1nccs1	759601195	KSUPKNGKFHBGHZ-UHFFFAOYSA-N	414.547	3.677	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@](=O)C[C@@H](C)C2)c(C)n1-c1ccc(F)c(Cl)c1	763859617	XTXHPQFPOJGIRZ-CEXHIMGSSA-N	410.942	3.770	10	20	HHCD	
C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1Cl	766606594	FDSWCDFBTIRTSL-CYBMUJFWSA-N	402.848	3.786	10	20	HHCD	
CCOc1ccc(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c(O)c1	768818903	ZOTFZTFUOFDTPB-QGZVFWFLSA-N	408.502	3.720	10	20	HHCD	
CCOc1cccc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c1O	769309871	GZIFEDIUAVFSTM-HNNXBMFYSA-N	424.497	3.605	10	20	HHCD	
CCOCCOCc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	771882406	ONCGYUGALYOTDN-UHFFFAOYSA-N	418.877	3.568	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3cccs3)C(CC)CC)nc12	775212279	NPJRJHDVJVUTSY-SFHVURJKSA-N	402.520	3.940	10	20	HHCD	
CC[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)ccc1O	775551274	LPMVWFFKGWXSOG-MSOLQXFVSA-N	418.335	3.782	10	20	HHCD	
Cc1nc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Br	775779656	IXAMHWXHQRJDSJ-UHFFFAOYSA-N	419.323	3.653	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4cc(C)cc(C)c4)n3)CC2)cc1F	777408115	BXIUXFYHALVPSU-UHFFFAOYSA-N	422.504	3.908	10	20	HHCD	
Cn1nc(C(F)(F)F)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1Cl	782150941	YLUKWPDPBIDZCI-ZDUSSCGKSA-N	403.832	3.979	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc([C@@H]4C[C@@H]4C)o3)cc2)CC1	787330386	VUQJHEIOMKTDNN-LAUBAEHRSA-N	409.530	3.572	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Oc3ccc(-c4ncnn4C)cc3)ccc21	792129646	BWXMZWHUMKYGOB-UHFFFAOYSA-N	404.470	3.919	10	20	HHCD	
COc1ccc([C@@H](C)[C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC	792920281	UNWMJPZIQFNBKX-IRXDYDNUSA-N	402.510	3.961	10	20	HHCD	
CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1	795616676	SZWIAQOYOVSUOC-UHFFFAOYSA-N	410.908	3.591	10	20	HHCD	
Cc1c(NCc2ccc(N3CCOCC3)cc2)cccc1S(=O)(=O)NC(C)(C)C	796434154	ISZLXXHVKHTRBH-UHFFFAOYSA-N	417.575	3.521	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCCn2cc(Br)cn2)c1O	797120989	WWQFFCQDTNVOAD-JTQLQIEISA-N	403.118	3.773	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(N4CCOCC4)ccc3C)CC2)cc1	797689985	KMKFDCVWNCIAPL-UHFFFAOYSA-N	424.545	3.584	10	20	HHCD	
O=C(NCCCSc1nccs1)N(CCc1ccccn1)Cc1ccncc1	798109054	HTDSPUSPZOMRJN-UHFFFAOYSA-N	413.572	3.870	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)CC2)cc1	798400194	WOVSCLNPRNRGGO-AIZKBTNYSA-N	415.578	3.635	10	20	HHCD	
Cc1cc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C)c(C)n1-c1ccccc1	800731852	XTFHLWCDNQBEJR-UHFFFAOYSA-N	419.451	3.783	10	20	HHCD	
COc1ccc(C2=NO[C@H](CNC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)cc1F	801357020	NVHVVSCEAFYAJN-KRWDZBQOSA-N	422.460	3.560	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(C)C2c3ccccc3-c3ccccc32)cc1F	803661345	YEESACDPALAESM-UHFFFAOYSA-N	417.484	3.736	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C	807101515	SUSFWXMUSMCZDS-JOCHJYFZSA-N	413.537	3.542	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc2c1COC2=O	808907907	UYMNEVMLQJNEMQ-UHFFFAOYSA-N	405.248	3.879	10	20	HHCD	
O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	809707270	FFQOGPYEHPIBBY-GJZGRUSLSA-N	403.306	3.569	10	20	HHCD	
CC[C@@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(C(F)(F)F)cc1O	810215275	BLAPEURQONJJMT-OXQOHEQNSA-N	421.419	3.707	10	20	HHCD	
CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N(Cc3ccccc3O)C3CCCCC3)[C@H]2C1	812433020	HYHUAZDSZACEQB-NYVOZVTQSA-N	413.562	3.884	10	20	HHCD	
O=S(=O)(c1ccc(NCc2c(O)cccc2Br)cc1)N1CCCC1	863987775	VGYPEPBCHSMOPZ-UHFFFAOYSA-N	411.321	3.551	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1[N+](=O)[O-]	915749408	VOZRCOGPIYZHNW-UHFFFAOYSA-N	420.469	3.608	10	20	HHCD	
COc1ccc(N2CCCN([C@@H](C)C(=O)NC(=O)Nc3ccc(C)cc3C)CC2)cc1	917208691	MZFQNDUTYZGXAH-IBGZPJMESA-N	424.545	3.561	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3c(F)cccc3F)cc2F)C[C@@H](C)O1	918219144	FTCXQZMCWPQSEG-GASCZTMLSA-N	421.463	3.759	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)CCn3ccccc3=O)c2C)c1	919256116	UNAAGIUHNNOULI-UHFFFAOYSA-N	406.482	3.689	10	20	HHCD	
CN(C)C(=O)C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1	920047414	RQZIYLQICRGTLM-QFIPXVFZSA-N	408.546	3.646	10	20	HHCD	
Cc1cnn(CC2CC2)c1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	1318767442	MUAURXBARFSEDT-HZPDHXFCSA-N	415.513	3.676	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1c(F)cccc1Br	1320776558	MMVZBCVZXPLMOV-UHFFFAOYSA-N	404.257	3.882	10	20	HHCD	
Cc1ncnc(O)c1CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	1321716466	FVVNYQJBFVIDCY-CQSZACIVSA-N	402.926	3.629	10	20	HHCD	
CC1=CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)CC1	1789111506	AMLNGQJNHRDIPC-MRXNPFEDSA-N	421.497	3.987	10	20	HHCD	
C[C@@H](NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1cccs1	10876735	JFQIRELNPMSDNF-CYBMUJFWSA-N	419.458	3.558	10	20	HHCD	
C[C@@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	11117037	SOLVHQKIOMWODV-CYBMUJFWSA-N	417.392	3.785	10	20	HHCD	
CCCCN1C(=O)C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1c1ccc(OC)cc1	22694430	HZPTZYFUNIFQOV-VWNXMTODSA-N	423.557	3.767	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1	108092893	MOSUYEAILSEQEV-XMMPIXPASA-N	413.537	3.860	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(F)cc(F)c1	726602069	WRJROPBYHDNUGS-UHFFFAOYSA-N	418.412	3.514	10	20	HHCD	
COCCOc1ccc(F)cc1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1	727590844	HOLGLNUEBCGBIF-UHFFFAOYSA-N	417.481	3.604	10	20	HHCD	
COCc1cccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1	728836158	SLYULKAUPHSMAK-UHFFFAOYSA-N	403.482	3.577	10	20	HHCD	
COc1cccc([C@H](C)N2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)c1	729050784	KRIGVNIAKPCBJL-IBGZPJMESA-N	422.573	3.666	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1F	731398942	XPOFAVNDXNUKRY-UHFFFAOYSA-N	407.511	3.706	10	20	HHCD	
Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1C(N)=O	732433011	DBKNDEBRSHIQKU-UHFFFAOYSA-N	406.486	3.987	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(F)cc1F	732526289	YQQINLISCDRWPE-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	733001045	WMGRZWORDGPQNA-UHFFFAOYSA-N	420.912	3.914	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1	733134923	HCQUZUXMRVVOQI-INIZCTEOSA-N	401.938	3.962	10	20	HHCD	
CCOC[C@H]1CCCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1	733797106	PQXWBKXUBQVKLM-SJORKVTESA-N	420.509	3.538	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCOC3CCCCCC3)cc2F)C[C@@H](C)O1	735681850	RLNGVILRVOVHJV-HDICACEKSA-N	421.557	3.978	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)cc1	741096065	ZMFRIDYRIGDHPQ-UHFFFAOYSA-N	413.493	3.716	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)cc1F	742071870	UOFWTFUEIMXKCN-JOCHJYFZSA-N	417.500	3.501	10	20	HHCD	
C[C@@H](Oc1cccc(F)c1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800416	QZLZGLNGUQKAGK-ZBFHGGJFSA-N	408.420	3.980	10	20	HHCD	
O=C(N[C@H]1COc2ccccc2C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745614881	HSEFFJZTAXIPHZ-IAGOWNOFSA-N	417.456	3.560	10	20	HHCD	
COC1CCC(N(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745903130	DBTFQCBNKOHSTJ-KLHKWILBSA-N	411.493	3.856	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC(n2ccnc2)CC1	745906166	XWGGDLFGXMQZBT-INIZCTEOSA-N	419.476	3.500	10	20	HHCD	
CC(=O)c1ccccc1NC(=O)CCCN(Cc1ccccc1O)C[C@@H]1CCCO1	746759877	WGBSUWZGXHYZKU-FQEVSTJZSA-N	410.514	3.995	10	20	HHCD	
O=C(NCCOCc1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	747507583	HWQPUIXSFXIXIE-UHFFFAOYSA-N	419.472	3.773	10	20	HHCD	
COCCN(Cc1nc(-c2ccc(C)c(OC)c2)no1)c1ccc(OC)c(OC)c1	749350261	BITSXMUNLRJDIT-UHFFFAOYSA-N	413.474	3.724	10	20	HHCD	
Cc1ccc2cccc(S(=O)(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2n1	751120425	HOPAJEYDVMXHDJ-LJQANCHMSA-N	412.511	3.619	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c(C)o1	754694854	ROMCHBSLBLSXRN-UHFFFAOYSA-N	414.411	3.577	10	20	HHCD	
Cc1ccc([C@H](C)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c(O)c1C	756462913	BICSAXGNKQBYQB-ICSRJNTNSA-N	412.530	3.534	10	20	HHCD	
Cc1ccc(O)c([C@H](C)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)c1	756775794	KNLFPVSSKBGDOX-INIZCTEOSA-N	406.523	3.734	10	20	HHCD	
COc1ccc(N[C@@H](C)c2cc(Br)c(F)cc2O)cc1-n1nnnc1C	757589291	DDZYYSSOORADKM-VIFPVBQESA-N	422.258	3.760	10	20	HHCD	
O=C(Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1)c1ccc(F)cc1	758169714	YOLAQMQDVZBERG-UHFFFAOYSA-N	404.394	3.724	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3cnn(C)c3C)c2C)cc1	758594705	UZPVYCIVHPXWSO-UHFFFAOYSA-N	423.513	3.893	10	20	HHCD	
COc1cc(F)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F	759022117	GFWKGFIHRLLNIF-UHFFFAOYSA-N	417.456	3.561	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)cc(OC)c1OC	759220526	GEUHMWVQGLYJIL-UHFFFAOYSA-N	412.530	3.873	10	20	HHCD	
C[C@H](N[C@@H](CO)CC(F)F)c1cc(Br)cc(Br)c1O	760048693	DGPJGQWOVDCJDL-POYBYMJQSA-N	403.061	3.584	10	20	HHCD	
Cc1ccc(Br)c(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1	763408187	PTVCVPDGKWHGIY-UHFFFAOYSA-N	416.319	3.712	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc(F)c([N+](=O)[O-])cc1F	763408382	NTZCVRDSWLPANB-UHFFFAOYSA-N	408.316	3.901	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(-c2cc[nH]n2)c1	767923888	LDSWDNFMIXZZET-UHFFFAOYSA-N	405.502	3.607	10	20	HHCD	
O=C(Nc1ccc2c(c1)COC2)c1cc(NS(=O)(=O)c2cccs2)ccc1O	768899675	FYANSUMXEGRSHH-UHFFFAOYSA-N	416.480	3.537	10	20	HHCD	
Cc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c(C)n1-c1ccccn1	769082767	MXYGCQFJNUOQJJ-UHFFFAOYSA-N	418.497	3.686	10	20	HHCD	
O=C(Nc1cccc2[nH]ccc12)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769748213	CWCKRFWPJXRMDG-UHFFFAOYSA-N	413.480	3.988	10	20	HHCD	
COc1cc2c(c(OC)c1OC)CCN(Cc1cc(Cl)cc(C(C)=O)c1O)CC2	769944594	ZGRYXRCDJCOCIL-UHFFFAOYSA-N	419.905	3.875	10	20	HHCD	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(-c2cocn2)no1	771363872	GMJIKRKXDLEQOI-KPKJPENVSA-N	404.498	3.620	10	20	HHCD	
COc1cc(OC)cc(OCCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	773059283	MWFNPWXISMHAQR-INIZCTEOSA-N	420.937	3.923	10	20	HHCD	
CCO[C@@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1(C)C	773775475	HMHQINNDAOARNT-XXBNENTESA-N	424.501	3.723	10	20	HHCD	
CC(C)[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc21	774763471	NJYWVRVBDRXJOO-SIKLNZKXSA-N	420.557	3.858	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc(C(=O)O)c(F)c(Cl)c2F)c(C)c(C)c1O	775291243	GWPQQGOZMPKESF-UHFFFAOYSA-N	405.806	3.748	10	20	HHCD	
Cc1ccc(-c2nnc(S)n2CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	775402885	FOIGAYPGTAYWHA-MRXNPFEDSA-N	409.559	3.876	10	20	HHCD	
CC[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(Cl)ccc1O	775487548	KAIHXKXQLQZVRG-HXUWFJFHSA-N	401.938	3.674	10	20	HHCD	
C[C@@](CO)(NCc1cc(Br)cc(Br)c1O)c1ccccc1	776175087	GVZWWNDXZXUNSK-INIZCTEOSA-N	415.125	3.915	10	20	HHCD	
CC[C@H](C)Oc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1	777756783	HSKNJZBCFZKIJB-PXNSSMCTSA-N	413.518	3.855	10	20	HHCD	
Cc1nc(O)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1Br	778538706	MJLPDQSLPONAIN-UHFFFAOYSA-N	406.324	3.975	10	20	HHCD	
CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc(C)c(O)c2O)ccn1	780958188	BZXDTHSPGAFWHE-UHFFFAOYSA-N	407.426	3.514	10	20	HHCD	
CN(C)c1ccc(CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C2CC2)cc1	782481999	IHRWQEHFGSEAIW-UHFFFAOYSA-N	400.454	3.793	10	20	HHCD	
Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)c1	785595939	OYNZVZDTIQRKKV-MRXNPFEDSA-N	421.505	3.924	10	20	HHCD	
CO[C@@H](CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccc1	786658775	WMACWCSKMPBBQR-QFIPXVFZSA-N	410.514	3.557	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)c(C)n1-c1ccccn1	787003749	NKRLUTLHJBEOKE-UHFFFAOYSA-N	421.881	3.541	10	20	HHCD	
Cc1cc(C(=O)CSc2n[nH]c(CO)n2)c(C)n1-c1cccc(C(F)(F)F)c1	787487703	ZBCVALDLTIFDHN-UHFFFAOYSA-N	410.421	3.698	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Br)cc(F)c1OC	790410693	AKGZFZWXDSSVME-UHFFFAOYSA-N	420.256	3.502	10	20	HHCD	
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1c(O)ccc(Cl)c1F	792174336	SBOMJHIYDWMPPE-UHFFFAOYSA-N	416.902	3.882	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(C(=O)N3CCOCC3)c2)c(C(F)(F)F)c1	792863731	QRXKZGNILOIGNZ-UHFFFAOYSA-N	407.436	3.856	10	20	HHCD	
Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(I)cc2)c(O)c1C	793576057	XKYOCAVDEXTKIK-CYBMUJFWSA-N	424.282	3.903	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1	800999057	POTPAECVOXCPCR-QFIPXVFZSA-N	422.573	3.566	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(C)=O)ccc1Cl	802610576	GUTALLXYLFWHOL-UHFFFAOYSA-N	417.893	3.771	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	805464895	OFAPITPHQCGGAW-HNNXBMFYSA-N	423.300	3.805	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCOC[C@H]1CC(F)F	807384054	WHZSTSYZVJGWFD-QGZVFWFLSA-N	402.401	3.923	10	20	HHCD	
C[C@@H](NC(=O)c1cc(Cl)ncc1Br)c1ccc(N2CCOCC2)cc1	810207651	MKJWVFZPJRXOTA-GFCCVEGCSA-N	424.726	3.825	10	20	HHCD	
O=C1N=C(SCCN2CCCS2(=O)=O)S/C1=C/c1csc2ccccc12	814772834	GBKSYAQRPINWNX-XNTDXEJSSA-N	424.594	3.640	10	20	HHCD	
COc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)nc1	815521640	TZKGXCJLQDWKRS-UHFFFAOYSA-N	417.824	3.725	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccn(-c3ccc(Br)cc3)n2)c1	815835153	LFABDJIWPQJHMM-LBPRGKRZSA-N	416.275	3.840	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C(F)(F)C2(O)CCC2)cc1	857449855	QKFJSWVGICQUBQ-UHFFFAOYSA-N	404.457	3.845	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2	916230163	JYCPJBMIZMYTQV-UHFFFAOYSA-N	417.937	3.951	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)NC[C@H](C)c3ccccc3)sc2n1	916525671	PMRSSGRTWCZPTC-DZGCQCFKSA-N	411.527	3.961	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccn(-c4ccccc4)n3)cc2F)C[C@@H](C)O1	917712281	IITTZVKTMCNTTA-IAGOWNOFSA-N	408.477	3.555	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)n2)s1	917858945	FHHFIGFPNPHBNY-UHFFFAOYSA-N	421.569	3.937	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1	917896764	UEBDDFXGBWSRIO-UHFFFAOYSA-N	403.891	3.647	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)CC(C)C	918065652	WGTPJELPXHMPIN-OAQYLSRUSA-N	404.599	3.673	10	20	HHCD	
C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)o1	920179895	DWZUKGMOBYVENS-PXNSSMCTSA-N	421.520	3.949	10	20	HHCD	
Cc1cc(C(=O)N(C)CC(=O)N2CCCC2)c(C)n1-c1cccc(Br)c1	920438695	XHTRYIDQLNPNLH-UHFFFAOYSA-N	418.335	3.551	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)CC(C)(C)c3ccccc3)CC2)cc1	921304651	MVOGJHNDCOSECV-UHFFFAOYSA-N	409.574	3.691	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)Cn3cc(-c4ccccc4)c(C)n3)CC2)cc1	1320807564	HLEVPEUXDFLEFB-UHFFFAOYSA-N	404.514	3.606	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCCC[C@@H]3CN3CCCC3=O)c2C)cc1	1347739436	WXHLLNSBCVDUDE-HXUWFJFHSA-N	409.530	3.720	10	20	HHCD	
C/C=C(/C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1831350780	PMPRTZGHGOUAIF-UDTCEQKLSA-N	420.937	3.951	10	20	HHCD	
CCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nnc1-c1cccs1	7229129	PZUWJXATLYYVEZ-UHFFFAOYSA-N	415.588	3.843	10	20	HHCD	
COc1cc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)ccc1OCCC(=O)O	210449520	ZBPXSMWWVBTWPH-PDGQHHTCSA-N	412.467	3.940	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@H]3COc4ccccc4O3)ccc21	485174630	QUXYFFLKFIEXKG-IBGZPJMESA-N	408.498	3.817	10	20	HHCD	
CCn1c(CCNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)nc2ccccc21	726613973	NTMBKYCCGSJDFK-UHFFFAOYSA-N	421.545	3.576	10	20	HHCD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c(O)c1O	727003669	CAXNPYXFVPODQZ-MRXNPFEDSA-N	405.450	3.857	10	20	HHCD	
COc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1	727244957	OYUWVTIOPNQKLT-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
COc1cccc(CNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1O	727762217	DXIIYBJWLCDQJM-UHFFFAOYSA-N	406.467	3.640	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1	728977810	DPAIJXDWHVBMNC-YRYLYKBFSA-N	408.498	3.530	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2N2CCCCCC2)c1	729066822	PWTFITKAEASEPQ-INIZCTEOSA-N	411.502	3.597	10	20	HHCD	
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	729259614	QTQGXBKXCWOXHR-FQEVSTJZSA-N	402.583	3.758	10	20	HHCD	
COc1cccc(CNC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)c1O	729858784	BTZGBBVGIIENIG-UHFFFAOYSA-N	407.257	3.527	10	20	HHCD	
C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc4c(s3)COc3ccccc3-4)ccc2O1	730072531	FRUNSKPWTWVUSG-LLVKDONJSA-N	400.481	3.827	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2nnn(-c3ccc4ncccc4c3)c2C)cc1	731323629	QWEDQBNIUZCLBJ-UHFFFAOYSA-N	414.513	3.900	10	20	HHCD	
CC(C)(C)c1noc(CCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	731859084	QDBXSWPOEFVPGL-QGZVFWFLSA-N	401.507	3.603	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)OC(C)(C)C)cc1	732115179	VXFOACRYEINGJN-UHFFFAOYSA-N	413.518	3.819	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCNC(=O)N2CCc3ccccc3C2)cc1	732259695	WOEPXKCTHPFLIE-UHFFFAOYSA-N	422.573	3.649	10	20	HHCD	
Cc1cc(CC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	733226876	FHBAZTABKBCFJW-GOEBONIOSA-N	410.967	3.570	10	20	HHCD	
C[C@@H](CCC1CCCCC1)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	734537123	WWPXRZZEZRXBNY-GHTZIAJQSA-N	414.594	3.937	10	20	HHCD	
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCc1ccc(N2CCOCC2)cc1	734861218	KDTYUEZLKCEFIA-FQEVSTJZSA-N	401.938	3.997	10	20	HHCD	
C[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccco1	742748971	BQQBWHVEORIZMZ-YJBOKZPZSA-N	401.507	3.831	10	20	HHCD	
C[C@H]1CC[C@@H](CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)O1	743312374	PIGQTEBIEVNMHV-YOEHRIQHSA-N	400.441	3.506	10	20	HHCD	
C[C@H]1CN(c2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cn2)C[C@@H](C)O1	743429928	BVIGVSSYYSICMG-HDICACEKSA-N	421.497	3.836	10	20	HHCD	
COc1ccc(C[C@@H]2CCCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)cc1	743559494	IMLRTRVXGPPVAH-QFIPXVFZSA-N	423.557	3.696	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	745779562	ORMHBWAEXAKFAS-HYBUGGRVSA-N	422.573	3.500	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1F	746797978	LFEHZMKPBMCLJV-KRWDZBQOSA-N	417.912	3.714	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3CCC[C@H]4CCCC[C@H]43)sc2n1	749819633	ADRHJELNTWJRKD-HUUCEWRRSA-N	401.532	3.833	10	20	HHCD	
C[C@H]1C(=O)Nc2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc2N1C	749878678	LXGXNZFKXUJEPA-KRWDZBQOSA-N	406.530	3.726	10	20	HHCD	
O=C(CCCc1ccc2nc(O)[nH]c2c1)Nc1c(-c2ccccn2)nc2ccccn12	751308522	ZTHZLCYBCMVZHE-UHFFFAOYSA-N	412.453	3.940	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)nc1-c1cccc(Cl)c1	751591307	XRNZAMDNJIMIQS-CQSZACIVSA-N	424.935	3.731	10	20	HHCD	
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	752005226	PDFPRKXAWQQYEX-JXOCDABTSA-N	421.557	3.690	10	20	HHCD	
CC(C)OC1CCC(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	752646921	BYJHKPZIGOHPLG-BEEJXANESA-N	421.557	3.975	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1cccc(C(F)(F)F)c1	753640081	IIXPHRVDHPTCGD-GFCCVEGCSA-N	419.403	3.972	10	20	HHCD	
C[C@H](N[C@H](C)CN1CCCC1=O)c1cc(Br)cc(Br)c1O	756449978	PUQBZRCYGSLSRY-ZJUUUORDSA-N	420.145	3.579	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@@H](C)c3ccc(F)cc3)CC2)cc(OC)c1OC	759219476	BKDRZIIMPKXHPL-MRXNPFEDSA-N	416.493	3.694	10	20	HHCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1	759596587	OPPQQYIGQKHYGF-CYIWUNGXSA-N	411.454	3.910	10	20	HHCD	
Cc1cc(F)cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1[N+](=O)[O-]	761984596	ZOELXCGQIXIUCP-MRXNPFEDSA-N	421.856	3.796	10	20	HHCD	
C[C@@H](NC(=O)NCCC1CC(OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1	763223401	ZTYFFYTXAWGCIF-MPQSDHOMSA-N	403.567	3.867	10	20	HHCD	
COc1ccc([C@H](CCO)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	763398250	KYGHBUDFLVAGRX-AOMKIAJQSA-N	404.938	3.960	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1	764441278	KEEGLSVDTPXAPA-LBPRGKRZSA-N	414.959	3.996	10	20	HHCD	
CC(C)CNC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1	765251834	MKGPTPPTUFZFKU-UHFFFAOYSA-N	420.307	3.862	10	20	HHCD	
Cn1ccnc1-c1cccc(NC(=O)NCc2cccc(Br)c2O)c1	765275764	FHCRZNWVERPIBN-UHFFFAOYSA-N	401.264	3.877	10	20	HHCD	
Cc1cc(Cl)ncc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	770024453	CUZAJTDTVIYYRR-UHFFFAOYSA-N	423.903	3.864	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(F)cc3Br)c2)CC1	770146250	FOVYETZJLXPULF-UHFFFAOYSA-N	406.299	3.982	10	20	HHCD	
CC1(C)CCCN(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	770494322	VJNSVBRZKCMYAI-UHFFFAOYSA-N	424.536	3.678	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(-c4ccc5c(c4)CCO5)no3)CC2)cc1	771320046	NKLKXTQQQLHXIB-UHFFFAOYSA-N	419.481	3.684	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1	774762506	UGEKRMOOVHFERR-UHFFFAOYSA-N	416.525	3.749	10	20	HHCD	
CC[C@@H](C)n1nc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C	777946690	GTFQVXCOHMDMAV-CQSZACIVSA-N	424.467	3.948	10	20	HHCD	
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1cc(Cl)cc(F)c1O	779597948	HVLQSUHLXYXWET-UHFFFAOYSA-N	416.902	3.882	10	20	HHCD	
CC(=O)N1CCN(Cc2cccc(NCc3ccc(N4CCCCC4)cc3)c2)CC1	780556200	KXCJFXAREZYPOX-UHFFFAOYSA-N	406.574	3.953	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H](Oc2cccc(F)c2)C1	784224548	VBJIMVJTWQXIBB-NRFANRHFSA-N	415.534	3.742	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1	785429261	XXHRXNSXXLRFJP-UHFFFAOYSA-N	419.447	3.579	10	20	HHCD	
CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Cl	789836734	RAMKCCCFDAJFPN-ZDUSSCGKSA-N	419.909	3.890	10	20	HHCD	
CO[C@@]1(C)CCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	793062303	RDHPZFPJUXONSP-KKSFZXQISA-N	411.493	3.857	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1	793607388	CZAKUYLKKBXJJW-DHIUTWEWSA-N	423.557	3.528	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c(O)c1	797618183	HDHUUIYBHGKNFG-MRXNPFEDSA-N	406.866	3.934	10	20	HHCD	
COc1cc(N2CCN(c3ncc(C)cc3Br)CC2)cc(OC)c1OC	797828410	AZLWEZTZOIBQDF-UHFFFAOYSA-N	422.323	3.505	10	20	HHCD	
CC(C)(C)OC(=O)N1CCc2ncc(NCc3ccc(N4CCOCC4)cc3)cc2C1	798276453	GTPQUMZUIPCFEE-UHFFFAOYSA-N	424.545	3.824	10	20	HHCD	
CC(C)OC[C@H](CO)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800719906	PIXARCLSCSMXNS-AEFFLSMTSA-N	411.974	3.504	10	20	HHCD	
CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1	800727943	UEXIHAJIPQNMOL-GOSISDBHSA-N	422.533	3.605	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)c(OC(C)C)c1	802610089	UBUFAOYGNBVHOK-UHFFFAOYSA-N	414.502	3.955	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N(Cc3cccc(F)c3)C3CCCC3)ccc21	803688651	XVHXKTXXKQNZSQ-UHFFFAOYSA-N	423.532	3.796	10	20	HHCD	
CC(=O)NCC[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1	805821759	DRVHILNCHPJSRS-HXUWFJFHSA-N	413.537	3.963	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1	806457183	FXDUTGLPOWAHOO-IAGOWNOFSA-N	413.484	3.586	10	20	HHCD	
O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc(C2CCC2)c1	812995738	WHLJLKGZGWVGLB-UHFFFAOYSA-N	403.276	3.677	10	20	HHCD	
CSc1ccc([C@H](CNCc2ccc(N3CCOCC3)c(F)c2)N(C)C)cc1	815166963	YELFVJKDKCJFPG-QFIPXVFZSA-N	403.567	3.777	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C(=O)OC)cc1	815564940	XXFJSMMUNKDKEA-NRFANRHFSA-N	400.494	3.814	10	20	HHCD	
CC(C)n1ncc2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(Cl)nc21	873888115	DRTBDOFFAIOUNH-KPKJPENVSA-N	424.935	3.732	10	20	HHCD	
CC(C)(C)C(=O)Nc1sc2c(c1C(=O)OCC(=O)c1ccc(O)c(O)c1)CCC2	916611465	MEBXMQQZNWIVBJ-UHFFFAOYSA-N	417.483	3.672	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCc3c(F)cc(F)cc32)c1	917471576	HWTISQXLWPAOLN-UHFFFAOYSA-N	416.468	3.658	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1	917897994	MWTWXBGBOKCRQK-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1	920868021	ZYJSUCIVEYOEER-HOTGVXAUSA-N	417.937	3.863	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1	1116513530	JUNNXBJEIWXWFW-UHFFFAOYSA-N	423.542	3.511	10	20	HHCD	
CCOC(=O)[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cccc(C)c1C	1116675046	PWMMRHNQPPQNPE-HSZRJFAPSA-N	413.537	3.588	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1c(F)cccc1Br	1319189489	DOJUHSMMFOLQCF-UHFFFAOYSA-N	411.343	3.505	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](Cc4nccn4C)C3)c2C)cc1	1322642515	UYCPNBIOLFFEAH-IBGZPJMESA-N	406.530	3.931	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCc2ccc(Cl)cc2C1	1341276233	NENRAZGACQUMML-UHFFFAOYSA-N	403.885	3.584	10	20	HHCD	
CCOC(=O)C1=C(CNc2cc3oc4ccccc4c3cc2OC)NC(=O)N[C@H]1C	25892537	BEOFRCQXCMSKLO-LBPRGKRZSA-N	409.442	3.525	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1	27266617	PEDFIOYFEKFBMD-UHFFFAOYSA-N	400.906	3.639	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3csc(-c4ccccc4OC)n3)CC2)cc1	109452938	RWCGNLVCVKIGHC-UHFFFAOYSA-N	409.511	3.790	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(C(=O)Nc2nncs2)cn1	301414567	DTCCEWLMUKJHIW-UHFFFAOYSA-N	408.531	3.812	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)Cc1cccc2ccccc12	302813524	QUZCXGQKRAMGEJ-UHFFFAOYSA-N	403.526	3.613	10	20	HHCD	
CC(C)COc1ccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	303271329	GAYGWXGXTNLSOT-UHFFFAOYSA-N	400.494	3.556	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)n(C)c2ccccc12	470241865	MXRMHMBECXPSMF-UHFFFAOYSA-N	405.907	3.865	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccccc3OC)N(C)C)ccc21	484919430	UELSVGWMBSZYDD-QHCPKHFHSA-N	423.557	3.946	10	20	HHCD	
Cc1cc(F)ccc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	725848199	XPHDREFRJXCRCL-UHFFFAOYSA-N	409.484	3.680	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(CCc3ccccn3)C1=O)O[C@H](C)C2	726196764	AXSDRMBZXPJKCR-KZKLBEMASA-N	412.536	3.858	10	20	HHCD	
COc1cccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1O	727761248	PXGMGKYKBNFTTL-UHFFFAOYSA-N	400.438	3.579	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc(-c4n[nH]c(C)n4)c3)CC2)cc1	728738431	MDIAVLVXIANERT-UHFFFAOYSA-N	406.490	3.579	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCCSc3ccccc3)cc2F)CC1	730112387	ATQAGMKIFGOWRN-UHFFFAOYSA-N	416.566	3.559	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)cc2F)CC1	730193326	GBZOJKYYHIJHLG-IRXDYDNUSA-N	415.475	3.953	10	20	HHCD	
Cc1cc(C)cc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	730583350	QIRMORBPVRAHDW-ICSRJNTNSA-N	408.546	3.566	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1	730741648	POBCNILOBUXKKW-UHFFFAOYSA-N	408.523	3.657	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	731283861	SVZGUADFCMUXDR-KRWDZBQOSA-N	405.539	3.961	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)cn1	731364713	YDBRQUNHWSAJAG-UHFFFAOYSA-N	401.530	3.913	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(Cl)cc1	736232505	SFUZKOFUSDTFRK-SFHVURJKSA-N	415.965	3.978	10	20	HHCD	
CN1CCC[C@@H](N2CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)C1	738212220	HTBZVNKYXFCMTJ-GOSISDBHSA-N	418.379	3.520	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	740033009	KATMOMAVULPNGU-HXUWFJFHSA-N	412.921	3.545	10	20	HHCD	
C[C@H](NC(=O)c1ccc(OC2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1	741912278	VWVDCAMQJPQDMS-SFHVURJKSA-N	410.514	3.572	10	20	HHCD	
O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCSCC2)cc1	742254974	UZOUZYOWFBRKQP-UHFFFAOYSA-N	414.487	3.717	10	20	HHCD	
Cc1c(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cnn1-c1ccc(Cl)cc1	742285136	MQENFECYWZLCPR-UHFFFAOYSA-N	422.913	3.518	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2CC(F)(F)F)C2CC2)cc1	743894978	YIUHARPRDAFUSD-UHFFFAOYSA-N	419.447	3.987	10	20	HHCD	
CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc(N(C)C)c(F)c3)ccc2NC1=O	745930271	JLMITYDUOMERSU-BFUOFWGJSA-N	414.481	3.562	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccnn2[C@H](C)CC(C)C)cc1	746366847	VRKXFNZCRLHYSK-GOSISDBHSA-N	413.566	3.934	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(CCCCO)CC2)c(C)n1-c1ccc(C(C)C)cc1	746488330	QZLACAVFBDGZGF-UHFFFAOYSA-N	411.590	3.790	10	20	HHCD	
Oc1ccc2ccccc2c1CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	748303818	LJMMPWZAHVOTGZ-NRFANRHFSA-N	416.569	3.975	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O	750661370	QLJDRMNGEGXXPV-OAQYLSRUSA-N	409.530	3.548	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	750853707	GVQNCJOYXLHUND-DVECYGJZSA-N	419.569	3.903	10	20	HHCD	
Cc1ccccc1-n1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C(F)(F)F	753645484	UIIZRBHREWJQLU-ZDUSSCGKSA-N	419.403	3.972	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCCOCCc3ccccc3)CC2)cc1F	753730160	FYHCONWFORZRLU-UHFFFAOYSA-N	400.494	3.522	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)N3CCC[C@@H]3c3cccs3)CC2)cc1F	753858505	UTOFZFNTMFEBSH-QFBILLFUSA-N	417.550	3.770	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2ccccc2o1	754039347	VGRZZFCLHWYAEO-OAHLLOKOSA-N	422.453	3.982	10	20	HHCD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H](C)c3cc(F)ccc3O)cc2)C1	756430834	LLUVQOOCAUXTCH-HZPDHXFCSA-N	406.523	3.803	10	20	HHCD	
C[C@@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccc(Br)cc1O	756852129	YIUWNVMNJQWHRC-ACJLOTCBSA-N	418.335	3.778	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1F	757851621	OABXWXCTWGKDQH-SFHVURJKSA-N	402.466	3.651	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(Br)c3F)CC2)cc1	757857251	YHRUYFKDNJMIIZ-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
COc1cc(OC)cc(N2CCCN(Cc3cc(Cl)cc(OC)c3O)CC2)c1	761203195	KUCOUQPVGSHDSO-UHFFFAOYSA-N	406.910	3.784	10	20	HHCD	
c1ccc(CCn2cnc3c2CCN(Cc2ccc(N4CCOCC4)cc2)C3)cc1	761214028	BRWVQLVGZURCAE-UHFFFAOYSA-N	402.542	3.521	10	20	HHCD	
CC(C)CCN1CCC(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1	761935178	ZYYUFOZASNQKBT-UHFFFAOYSA-N	407.942	3.568	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](CCC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	762268552	KECMIZFFXIUFCC-GOSISDBHSA-N	414.502	3.803	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCCN(c2ccccc2)C1	765496561	AWKIBQGGRSCSFG-HNNXBMFYSA-N	404.308	3.623	10	20	HHCD	
COc1ccc(C2(C(=O)NCc3cccc(Br)c3O)CCC2)cc1OC	765727068	JZHFHMJLXYRVMI-UHFFFAOYSA-N	420.303	3.910	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(N(C)C)cc2C)cc1	766030754	XBPBEOKUBXIIAB-SFHVURJKSA-N	403.592	3.942	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3c(C)cccc3Cl)CC2)cc1	767993767	LRMNQYFJYGYRLO-UHFFFAOYSA-N	416.953	3.991	10	20	HHCD	
COc1cc(OC)cc(N2CCCN(Cc3cccc(Br)c3O)CC2)c1	769543333	MZMSDQVKIMCYMN-UHFFFAOYSA-N	421.335	3.884	10	20	HHCD	
Cc1oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCSCC4)cc3)cc2c1C	773244901	IVZZDZMRMPFDPZ-UHFFFAOYSA-N	423.538	3.858	10	20	HHCD	
CCOc1cccc([C@H]2C[C@@H]2NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	775773462	KCABQJILECKSOW-CTNGQTDRSA-N	413.493	3.621	10	20	HHCD	
Cc1cc(Br)cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1	776990966	NLKBOLYJXADRAG-UHFFFAOYSA-N	404.308	3.916	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccc(Cl)c2)cs1)c1cnn(CC(F)F)c1	777666879	LAEZOBONRHBJFR-UHFFFAOYSA-N	404.851	3.726	10	20	HHCD	
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2cc(Br)nn2C)SC1=S	779203457	IAZXMXXKKNVBHU-MINMQVLGSA-N	400.367	3.963	10	20	HHCD	
Fc1ccc(COC2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1	779605267	VQBHJJOKKSEJBO-UHFFFAOYSA-N	402.485	3.983	10	20	HHCD	
COc1cccc(-c2noc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2)c1	780813339	HATJQWSTFJZGLB-UHFFFAOYSA-N	412.515	3.562	10	20	HHCD	
O=C(COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc(O)c(O)c1	782074585	PJTPWXXDBXTIDM-QFIPXVFZSA-N	418.401	3.592	10	20	HHCD	
CN(C)c1ccc(CN(Cn2nc(C(F)F)n(C)c2=S)CC(F)(F)F)cc1	782931927	VTACHLYWDWEOLV-UHFFFAOYSA-N	409.428	3.977	10	20	HHCD	
Cc1cccnc1C(F)(F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	783344983	ORLQKEIKJHAXLP-UHFFFAOYSA-N	411.399	3.868	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)cc1	784109279	URAQLZHFJICDAD-UHFFFAOYSA-N	403.486	3.616	10	20	HHCD	
CCc1c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cnn1CC(C)C	784111529	KVKQXPOLRKEXRY-UHFFFAOYSA-N	411.550	3.846	10	20	HHCD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	785177001	FVKMDYGPYKOOET-CQSZACIVSA-N	401.473	3.584	10	20	HHCD	
COC(=O)c1scc(C)c1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	785475219	SEKTZIUZKGRCEN-UHFFFAOYSA-N	422.572	3.654	10	20	HHCD	
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	786434079	IIWRCZOGOKOQOQ-YSSFQJQWSA-N	420.469	3.841	10	20	HHCD	
C[C@H](NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1cc(Cl)ccc1O	788611062	FDTOBXKRSGKBFC-DOTOQJQBSA-N	420.912	3.553	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccnc(Oc2ccc(F)cc2F)c1	788739878	SRZWIGCSZXVKDU-UHFFFAOYSA-N	401.369	3.928	10	20	HHCD	
COC[C@H](NC(=O)c1cc(C)n(-c2ccccc2Br)c1C)[C@H]1CCCO1	790274897	ONTJDSRNRGJQAZ-PKOBYXMFSA-N	421.335	3.780	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1Cc2cc(Br)ccc2O1	792244021	SPIDWLINWOJMAM-IBGZPJMESA-N	402.288	3.653	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)c(O)c1	793031101	BMJURFSONFPXEB-SGTLLEGYSA-N	423.307	3.739	10	20	HHCD	
CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1	795344951	LTPGKOQIIFRSBA-UHFFFAOYSA-N	408.234	3.816	10	20	HHCD	
CC(C)[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)N1CCCC1=O	800049824	WXNJYMSWMOFEKV-IERDGZPVSA-N	405.970	3.840	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1	801552123	ZCIXNRTZSGLMCV-KRWDZBQOSA-N	419.543	3.640	10	20	HHCD	
COCCc1ccnc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	806660730	LMAFKXWPIJMTLE-MRXNPFEDSA-N	420.460	3.662	10	20	HHCD	
Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809594213	TZHKYLQNMVJZKX-ILBGXUMGSA-N	416.569	3.928	10	20	HHCD	
Oc1ccccc1[C@H](CCc1ccccc1)NC[C@@H](O)COc1ccc2c(c1)OCO2	815565234	HDPUIWQMALFBLU-KNQAVFIVSA-N	421.493	3.824	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc4oc(S)nc4c3)cc2F)C[C@@H](C)O1	816891106	IICOOESMQNCEHJ-BETUJISGSA-N	415.490	3.799	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(C(N)=O)c3)c2C)c1	913330594	VSLLHABVHPUSIW-UHFFFAOYSA-N	422.506	3.955	10	20	HHCD	
Cc1cc(C(=O)OCc2ccc(S(=O)(=O)C(F)F)cc2)c(C)n1-c1ccccn1	914906033	JSJQUAVLSKJOMM-UHFFFAOYSA-N	420.437	3.842	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCC(=O)N(C)C	915910720	WCDNSDUBWCXHKZ-KRWDZBQOSA-N	422.451	3.569	10	20	HHCD	
O=C(NCc1ccccc1CN1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916221661	VVSVANDTEOXASI-QHCPKHFHSA-N	423.557	3.879	10	20	HHCD	
CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)c1	916712529	PWBZMLRJLFKYKE-LJQANCHMSA-N	411.502	3.663	10	20	HHCD	
CC(C)c1ccc(CCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	918001350	KKFJDDOUHKQRRP-QFIPXVFZSA-N	422.573	3.554	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1[N+](=O)[O-]	918196594	YAPDADWYMTVTQI-UHFFFAOYSA-N	409.445	3.738	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c(Cl)c1	918439243	VQFYKFLKUXHCQS-UHFFFAOYSA-N	417.962	3.765	10	20	HHCD	
C/C(=C\C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CC1	919547347	VEDWGLHYMMSEPB-FNDVETGQSA-N	403.434	3.689	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCc2cn3c(n2)CCCC3)cc1	919654764	LMWBNGGUHNMQLK-UHFFFAOYSA-N	421.545	3.833	10	20	HHCD	
C[C@H](NC(=O)c1ccc(OCc2cccnc2)cc1)c1ccc(N2CCOCC2)cc1	920881548	FBDJBFRGXWMAMS-IBGZPJMESA-N	417.509	3.988	10	20	HHCD	
CN1CCN(c2ccc(CNc3nnc(CCCc4cccs4)o3)cc2F)CC1	1116486864	PZRLWINXNHAAEG-UHFFFAOYSA-N	415.538	3.809	10	20	HHCD	
Cc1cnn(CC2CC2)c1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1318767857	QMWGUAPVJGJIIQ-INIZCTEOSA-N	419.476	3.993	10	20	HHCD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1318924117	RFJWSJCPNNSWGN-BBRMVZONSA-N	406.477	3.592	10	20	HHCD	
Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	7257458	NPPVHMLBEDWLPJ-UHFFFAOYSA-N	405.498	3.733	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cn2ccc(C(F)(F)F)n2)c(C)n1-c1cccc(F)c1	11435053	OWAVTTGBNYGQEU-UHFFFAOYSA-N	423.366	3.875	10	20	HHCD	
CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	65464660	NHBPVSVRUZJJPM-KRWDZBQOSA-N	410.518	3.544	10	20	HHCD	
COCCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65698208	COKNOPCANJWSGL-QGZVFWFLSA-N	403.548	3.504	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1ccc(C(F)(F)F)cc1	105302208	MKGWVNSJEMYPCD-UHFFFAOYSA-N	408.420	3.516	10	20	HHCD	
Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1ccc(N2CCOCC2)cc1	139985362	AWOKFCSJIKQGBR-UHFFFAOYSA-N	412.484	3.894	10	20	HHCD	
O=C(Nc1ccccc1)c1ccc(NCc2ccc(N3CCSCC3)cc2)nn1	301278160	LOFPPLIPMZUNBL-UHFFFAOYSA-N	405.527	3.894	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	303061506	XRLQVGAYGAMPCS-UHFFFAOYSA-N	412.515	3.893	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(CC)Cc3cccs3)cc2F)CC1	303277796	HRWIYUHYSXUIGT-UHFFFAOYSA-N	404.555	3.761	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)nnn1-c1cccc(Cl)c1	303423337	VFKKNIZLWKMKMO-UHFFFAOYSA-N	401.873	3.618	10	20	HHCD	
Cc1cccc(-c2ccc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2)c1	303830067	QRTOYHIQFOQDLN-UHFFFAOYSA-N	410.495	3.669	10	20	HHCD	
CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)n1	501766508	ZOBJDXNNPZHVSZ-UHFFFAOYSA-N	400.891	3.722	10	20	HHCD	
O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1CCc1cccs1	727863476	BJFWAEBLWULGBZ-SXGWCWSVSA-N	416.528	3.912	10	20	HHCD	
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C1	728745121	NMJXHGUZJMFMBQ-UYAOXDASSA-N	400.567	3.513	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCC(=O)Nc2cccc(Cl)c2C)c1	729048632	FDIPBXXNYUVBIH-CYBMUJFWSA-N	405.882	3.752	10	20	HHCD	
CN(CC1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1)C(=O)OC(C)(C)C	729052106	YRFBOPFBHURDNG-UHFFFAOYSA-N	422.545	3.680	10	20	HHCD	
CC(=O)Nc1ccc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	729058091	IHIDVVLKICTUOZ-UHFFFAOYSA-N	407.470	3.898	10	20	HHCD	
Cc1ccc(C2=NN(C(=O)COC(=O)c3cc(O)cs3)[C@@H](c3ccco3)C2)cc1	731910198	OFMJAHBVVSKMDS-QGZVFWFLSA-N	410.451	3.890	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC(=O)OCc2ccccc2Cl)cc1	733344169	WYSHBNHJLRRYGP-UHFFFAOYSA-N	403.910	3.729	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCCN(C(=O)Oc2ccccc2)CC1	733642863	VALFGZLNSYVCGW-UHFFFAOYSA-N	422.529	3.703	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc(CS(=O)(=O)c2ccccc2)o1	733973379	HOYHFRRLCIKENA-UHFFFAOYSA-N	422.553	3.622	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1	734017705	WBRZRRXRKIVMST-CQSZACIVSA-N	422.441	3.807	10	20	HHCD	
C[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccc(N2CCOCC2)cc1	734166773	DWOLWPQFROMSRH-GBXCKJPGSA-N	422.573	3.548	10	20	HHCD	
COC1CCC(N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	734660504	QXHPYLFPXOIGHV-CCZBSFLLSA-N	407.530	3.538	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2	734702042	RRBRFNAEFDCWJF-SFHVURJKSA-N	422.573	3.676	10	20	HHCD	
CC[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C)cc1	737517308	LGUYPGQPUJYEAU-UNMCSNQZSA-N	407.558	3.897	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	740848643	XWBWCCJYPQRUCA-FUHWJXTLSA-N	408.951	3.833	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1NC(=O)OC(C)(C)C	740906402	DOMYDPMAPPYGIB-YLJYHZDGSA-N	416.566	3.732	10	20	HHCD	
Cc1ccccc1CN1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	740919157	DNMDFFBTVUYRHK-UHFFFAOYSA-N	404.558	3.789	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCN(C[C@H]4CCCO4)CC3)c2C)c1	740943001	PPITXCNEVOTCIS-HSZRJFAPSA-N	409.574	3.690	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1N1CCNC1=O	742081251	AIIWDIPCRMXLSA-UHFFFAOYSA-N	408.502	3.858	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1	743180048	GXQIFNFJNAHKET-UHFFFAOYSA-N	414.531	3.536	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C[C@@H](C)S1	743555115	QCAUFMZNSMPQQF-OKILXGFUSA-N	417.497	3.577	10	20	HHCD	
CCC(CC)[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)N1CCOCC1	745429014	LAWNDPNPIOOLIV-QHCPKHFHSA-N	418.626	3.810	10	20	HHCD	
CN(C)C1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)Cc2ccccc2C1	745842870	QRMUTMKGBMIMTM-UHFFFAOYSA-N	419.525	3.796	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCc2c(C)nc3c(c(O)nn3C)c2C)cc1	746105143	NTJLXRAHQODURE-UHFFFAOYSA-N	423.561	3.728	10	20	HHCD	
CCO[C@@H](CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(C)C	749137001	BJHOTYXRQPDYSP-SFHVURJKSA-N	424.453	3.551	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1c(F)c(F)cc(F)c1F	752858956	FTZWLJPNFHQYJM-UHFFFAOYSA-N	413.440	3.796	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccccc3-n3nccc3C)CC2)cc1	753024878	SWCYNEIXEGTTBQ-UHFFFAOYSA-N	405.502	3.980	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnc2onc(CC)c2c1	753081107	GVLKAEZTMJGLLI-UHFFFAOYSA-N	424.501	3.787	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3N(C)C)CC2)cc1F	753876654	OIMIYLWYRPUBRX-UHFFFAOYSA-N	406.889	3.908	10	20	HHCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)[C@@H]1CN(Cc2ccccc2)CCO1	756653357	DODKVUVDDQQWOU-HYVJGQCMSA-N	412.530	3.509	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)cc(F)c1O	756712950	RADDAZZFJWRBFS-BMIGLBTASA-N	411.246	3.889	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1O	756785541	VVWYJBOSLZPITO-KDOFPFPSSA-N	403.320	3.997	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CC=C(C(F)(F)F)CC3)cc2F)C[C@@H](C)O1	757630081	VTCBRFKCTWFNIG-ZIAGYGMSSA-N	415.431	3.843	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3COc4c(Cl)cccc43)CC2)cc1	757778806	YJSCBFJCNOCFGA-IBGZPJMESA-N	401.894	3.704	10	20	HHCD	
C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1nc(-c2ccccc2)no1	760331206	IYZFATJTSDXRRV-OAHLLOKOSA-N	406.486	3.924	10	20	HHCD	
CCOc1cc(CN(C)c2ccc(OC)c(OC)c2)ccc1O[C@H](C)C(=O)N(C)C	761223336	ZSZFOUSESIRZNC-MRXNPFEDSA-N	416.518	3.594	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(F)(F)F)nc3)cc2)CC1	761960983	LXEMAIWTVVLQLH-UHFFFAOYSA-N	420.435	3.592	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(N2CCCCCC2)cc1	765351127	PGPJFYHFWBCYQY-HXUWFJFHSA-N	415.603	3.837	10	20	HHCD	
COc1ccc(-c2nc(C)c(C(=O)NCCc3ccc(O)c(O)c3)s2)cc1OC	768901061	USWMZCFOMLBZIW-UHFFFAOYSA-N	414.483	3.519	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)CC1	770142690	FPCUGMIUSNGDGW-UHFFFAOYSA-N	423.517	3.589	10	20	HHCD	
Cc1cc(C(=O)CN2CCn3ncnc3C2)c(C)n1-c1cc(Cl)cc(Cl)c1	770701146	KGVFHAXIAFLYIN-UHFFFAOYSA-N	404.301	3.691	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3cc4ccccc4[nH]3)cc2F)C[C@@H](C)O1	771205420	SRWCZZZMPMFIIP-IAGOWNOFSA-N	424.520	3.963	10	20	HHCD	
C[C@H](CN1CCN(C)CC1)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772687685	GAVCSNLLTKKLFN-GOSISDBHSA-N	408.550	3.534	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(N(C)C)cc1	773083389	GIFRQZBNSWYFKC-CYBMUJFWSA-N	402.438	3.733	10	20	HHCD	
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2)n1	773845470	HGGLWMHVGLAILJ-INIZCTEOSA-N	406.486	3.840	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2ccc(F)cc2F)nc1-c1ccccc1	775206463	AKWCPSHXZBABKI-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1	775678627	HGCIEUSBCPPQSY-LJQANCHMSA-N	416.610	3.564	10	20	HHCD	
CC[C@@H](C)n1nc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C	776025595	CPSQZJIYXVUBQZ-CQSZACIVSA-N	403.502	3.584	10	20	HHCD	
Cc1nc([C@H]2CCCN(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)C2)n[nH]1	776123621	VZHIGHMEXPTEQZ-IBGZPJMESA-N	410.566	3.971	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nn1C1CCCCC1	776465420	IMJQIMJTRPHXKA-UHFFFAOYSA-N	414.525	3.727	10	20	HHCD	
CC(C)[C@@H](CSc1ccccc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	779061325	MTQACERTAGZVHD-JOCHJYFZSA-N	418.628	3.828	10	20	HHCD	
Cc1cc(C(=O)COC(=O)/C=C/c2ccc[nH]2)c(C)n1-c1ccc2c(c1)OCCO2	782331976	WBOSTPYBCAXGHX-VMPITWQZSA-N	406.438	3.633	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)cc2)C[C@H](C)O1	782567106	OGODQFYJNPEHPS-IRXDYDNUSA-N	410.518	3.797	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1	784564025	LVBVGYQHBVOZIY-UHFFFAOYSA-N	421.375	3.944	10	20	HHCD	
CN(Cc1ccccc1)Cc1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1	784668115	GDCMQVJWVQMRHD-UHFFFAOYSA-N	405.450	3.770	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccc(OC)cc1)C(C)C	785543949	JUCFTHXBCKJODE-QFIPXVFZSA-N	411.546	3.623	10	20	HHCD	
COC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)ccn1	786259817	AFEGZXVSWMRHHS-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
CC(C)n1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1	787074190	PYISPRYJQRFAJC-LJQANCHMSA-N	415.538	3.526	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](c1ccnn1C)C(C)C	788322283	WFYPSKDHIQQQGO-INIZCTEOSA-N	423.355	3.860	10	20	HHCD	
CCn1cccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1=O	789782244	LAGIHPWANLDUIR-UHFFFAOYSA-N	403.442	3.539	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCC(=O)N2	796774448	FIKCUBGNACOBRE-GDBMZVCRSA-N	417.456	3.939	10	20	HHCD	
C[C@H](NCCCN1C(=O)c2ccccc2C1=O)c1cc(Br)c(F)cc1O	797073507	ALPFTZRNXPJKTH-NSHDSACASA-N	421.266	3.631	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)nc3Cl)n2)cc1	800925991	ZPRYYUPDICWCOR-UHFFFAOYSA-N	422.919	3.926	10	20	HHCD	
CC[S@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	803472817	KAYXHZKTSDSTLU-SANMLTNESA-N	416.326	3.895	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc(OC2CCCCC2)cc1)c1ccc(N(C)C)cc1	804110423	NLGGEQQRIGJTRJ-GOSISDBHSA-N	423.557	3.958	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1nc(C)cs1)C1CC1	807627554	UIPNAIQPMXELHZ-SFHVURJKSA-N	401.532	3.553	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1sc(C)c(Br)c1OC	808094593	VOWQBPPXPLBXBN-UHFFFAOYSA-N	405.310	3.949	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@H](C)c3cc(Cl)cc(C)c3O)C2=O)c(OC)c1	808717816	JGHGUXVMTBWRJR-KUHUBIRLSA-N	418.921	3.823	10	20	HHCD	
Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)ccc21	915222049	SHOUQBLUMKIFQR-UHFFFAOYSA-N	421.887	3.709	10	20	HHCD	
COCCN(C)CCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	915267422	YGCOWYCJSNHNBM-UHFFFAOYSA-N	422.367	3.555	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(Cl)cc3F)CC2)cc1	915306589	KJDJVCAIMHBGIC-UHFFFAOYSA-N	420.916	3.822	10	20	HHCD	
CNC(=O)Cc1ccc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1	915344109	PVKAFBSJWXKEJD-UHFFFAOYSA-N	404.514	3.747	10	20	HHCD	
C[C@H]1Cc2ccccc2N1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	916967625	QVXNLLDZGFOMMA-RCCFBDPRSA-N	411.521	3.507	10	20	HHCD	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)Nc4ccc(S(N)(=O)=O)cc43)c2C)cc1	917621736	CNLITAVEHRFZLG-RGVLZGJSSA-N	407.495	3.543	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1F	917924406	QTYWXDBYAFOUFH-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1	918203306	SHZACVUWTUTGAL-OAQYLSRUSA-N	409.509	3.994	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N[C@H](C)Cc3ccccc3C)sc2n1	918992924	QCDUDHSFGRPUPS-OAHLLOKOSA-N	411.527	3.708	10	20	HHCD	
COc1ccc(O)c([C@@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)c1	920405651	CZQXZNLIKLJKPB-XMMPIXPASA-N	404.466	3.610	10	20	HHCD	
CCOc1ccc(N2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1	1320360724	YOTZIIIHSJKBGT-UHFFFAOYSA-N	400.486	3.517	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2cc(Cl)c3c(c2)OCCCO3)SC1=S	8220954	SZJFKITYIJYWFD-UKTHLTGXSA-N	413.904	3.567	10	20	HHCD	
Oc1cc2c(cc1CNCc1cn(-c3ccccc3)nc1-c1ccncc1)OCO2	238135283	VDAJHTSLGMFOEG-UHFFFAOYSA-N	400.438	3.658	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(F)c1F	726601717	SCOGFCYVKZKZBY-UHFFFAOYSA-N	418.412	3.514	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@H]1Cc1ccccc1	726706968	WFNKZZJACQMXMF-NRFANRHFSA-N	411.521	3.969	10	20	HHCD	
Cc1nc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nc2ccccc12	726714549	FFBPVRLFAPYAJK-GOSISDBHSA-N	406.486	3.535	10	20	HHCD	
O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)c(F)c2)N1Cc1cccnc1	727464118	QPWQSDKORCSOSQ-HSZRJFAPSA-N	418.472	3.824	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(CC2CC2)C2CCCCC2)c1	727823354	JGLOXJBKKKGYCM-UHFFFAOYSA-N	400.563	3.972	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(-c4cccnc4)no3)ccc21	728637441	LFZFSGSYIJOXPF-UHFFFAOYSA-N	406.442	3.707	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NCc3ccc(F)cc3)ccc21	728639718	TUYHQPALMSCDHD-UHFFFAOYSA-N	412.461	3.517	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)c1	728946462	LKPYOGBXHVSFEN-KRWDZBQOSA-N	408.502	3.806	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC3Cc4ccccc4C3)cc2F)C[C@H](C)O1	735326567	PSQZOOPIUKNAIX-IRXDYDNUSA-N	411.521	3.654	10	20	HHCD	
CCOC(=O)Cc1cccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	738958605	AFMMNWATVVRROA-UHFFFAOYSA-N	411.502	3.545	10	20	HHCD	
CC[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	739005109	SMKHGRGQZYBLHQ-OAQYLSRUSA-N	413.541	3.655	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)c2)CC1	739602961	PVKYGRJUEHDQAL-UHFFFAOYSA-N	415.559	3.862	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1	742245744	OVWRGTWIDOQWNI-XMMPIXPASA-N	409.574	3.781	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(c2ncnc3sccc23)C1	742537341	WRAFJDQOZLDCFX-SFHVURJKSA-N	421.570	3.824	10	20	HHCD	
CCn1nnnc1-c1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	743178435	QPHPWZRQMMZGKS-UHFFFAOYSA-N	418.457	3.893	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(-c2cccc(F)c2)no1	743703208	JYFFMNCJDJRHIL-CQSZACIVSA-N	409.465	3.819	10	20	HHCD	
CCN(CCc1nc(O)c2ccccc2n1)Cc1cc(Br)ccc1O	744425346	DXIPWPWMVKELAC-UHFFFAOYSA-N	402.292	3.868	10	20	HHCD	
Cn1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Cl)c2ccccc21	746010967	PNZAYJPILZHGLR-UHFFFAOYSA-N	415.896	3.862	10	20	HHCD	
Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)[C@@H](C)C2)cc1C	747948423	ABBVOQNTIHZFNJ-NRFANRHFSA-N	422.573	3.560	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	748438627	ODVNBDJZGBUDQD-UHFFFAOYSA-N	423.922	3.542	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1	749236848	QHHCYHPZGOVMRZ-LJQANCHMSA-N	409.578	3.905	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1	751009841	AJWXZVJWUMDOKK-UHFFFAOYSA-N	406.486	3.758	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](c3ccccc3)[C@H]2C)c1	751599649	CEJXAKZXRSQWJY-KOSHJBKYSA-N	408.542	3.805	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c(C)n1-c1ccc(F)cc1	752333711	LVNPWJUNIXAKCZ-QGZVFWFLSA-N	423.452	3.528	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)C[C@@H](O)c3cccs3)CC2)cc1	752663203	GWBNCDCHNZLVGE-DNVCBOLYSA-N	403.548	3.537	10	20	HHCD	
COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	753831764	XHFOPHNNDRIJMJ-UHFFFAOYSA-N	422.934	3.546	10	20	HHCD	
CC(C)(C)O[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	753949956	ISNUQQBMWUUAEC-RBBKRZOGSA-N	423.557	3.561	10	20	HHCD	
CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cn1	754452642	CLNVCSMNSDAKSO-SMSORMJASA-N	424.570	3.565	10	20	HHCD	
C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cc(Br)ccc1O	756850542	JUVQVKCRNXQKQP-SCLBCKFNSA-N	418.335	3.778	10	20	HHCD	
COc1cccc(OC)c1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	756954192	SMXMCRVBHMEMPM-HNNXBMFYSA-N	420.456	3.633	10	20	HHCD	
CCCn1nc(C)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C	759719473	YSDWLXBQEWVORH-HUUCEWRRSA-N	402.514	3.593	10	20	HHCD	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCCc1ccc(O)c(O)c1	762262175	TYUSSKYZPCQVEC-UHFFFAOYSA-N	405.376	3.788	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1O	764071873	VMINKNKTNMTQDZ-IBGZPJMESA-N	409.486	3.626	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2C[C@@]23CCOC3)c(C)n1-c1ccc(OC(F)F)cc1	764645246	GNFSXIUBGUEYRN-XMSQKQJNSA-N	419.424	3.848	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1	765230033	NWJGYKKJUXBWKA-AUSIDOKSSA-N	424.614	3.560	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cnn(-c2ccccc2Cl)c1	765727937	RJQDVAQWGYCUKH-UHFFFAOYSA-N	406.667	3.924	10	20	HHCD	
C[C@@H]1Sc2ccc(C(=O)NCc3cccc(Br)c3O)cc2NC1=O	765729242	ZQDXSQHUWKSTNX-VIFPVBQESA-N	407.289	3.517	10	20	HHCD	
COCCN(Cc1nc(-c2ccc(F)c(C)c2)no1)c1ccc(OC)c(OC)c1	766898028	PZNIIJJXWNHKRX-UHFFFAOYSA-N	401.438	3.854	10	20	HHCD	
C[C@H](CCCOc1ccccc1C(N)=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	768686142	ICXAHEPOTXUBTK-RTBURBONSA-N	411.546	3.520	10	20	HHCD	
COc1ccc(N2CCCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1	768999312	UTZAXPRNXJJKRD-UHFFFAOYSA-N	421.501	3.716	10	20	HHCD	
C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1ccc(N2CCC(O)CC2)c(F)c1	769683241	CFDVRSMROJYTBE-JKSUJKDBSA-N	409.546	3.568	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	770761394	LSWAUYIEDJSDAL-YVHKJVDXSA-N	415.509	3.799	10	20	HHCD	
CCn1nc(C)c(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C	772504600	ZREZOZMAWCPDQQ-KBPBESRZSA-N	403.502	3.594	10	20	HHCD	
O=C(CNc1ccc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)c(F)c1	772901182	CNAWJGVNEMBPCY-UHFFFAOYSA-N	412.292	3.697	10	20	HHCD	
COC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1	773189596	DAUXTDKSQINXDT-CQSZACIVSA-N	422.403	3.613	10	20	HHCD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773846784	OIJMIFZIUWOFEN-MRXNPFEDSA-N	424.545	3.862	10	20	HHCD	
C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cc(Br)ccc1O	774493057	XLCOMFFPPDJWTR-LBPRGKRZSA-N	417.311	3.500	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cc(C)cc(N3CCN(C(C)C)CC3)c2)c1O	775115961	QZHKROGRNXVUGN-UHFFFAOYSA-N	414.506	3.760	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1	775370727	PSNKATDRVYHCMY-KDOFPFPSSA-N	409.442	3.615	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccnn3[C@@H](C)CC(C)C)CC2)cc1F	775766857	SNUNQPRXDFCUCQ-INIZCTEOSA-N	403.502	3.992	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC(O)(Cc2ccc(F)cc2)CC1	776161069	KAXCFAQYKZMHTK-UHFFFAOYSA-N	409.552	3.544	10	20	HHCD	
C[C@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C1CCN(C)CC1	777302460	PTTXUZXWLGGUBD-UWJYYQICSA-N	404.599	3.638	10	20	HHCD	
COCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(C(=O)OC)cc2)cs1	778661346	MBVDCMNOYZWRSW-UHFFFAOYSA-N	418.496	3.544	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	779017032	JQIYMQXSHFASLE-HKUYNNGSSA-N	418.534	3.547	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccc3c(c2)CCS3(=O)=O)c1O	779037999	YMQYKQCGTLDAAY-LBPRGKRZSA-N	410.333	3.644	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(C(F)(F)F)cnc1Cl	779609193	ZEQNLWMAPGDMFP-UHFFFAOYSA-N	417.790	3.660	10	20	HHCD	
COC(=O)c1ccsc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1	783486162	LUIIZSKYNXWJQD-AWEZNQCLSA-N	423.494	3.850	10	20	HHCD	
O=C(c1c(F)ccc(O)c1O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1	789972873	KYXVHRCAHXDODZ-CQSZACIVSA-N	404.196	3.897	10	20	HHCD	
C[C@H](NC[C@](C)(Cc1ccccc1)[C@@H](C)O)c1ccc(N2CCOCC2)c(F)c1	790725515	NVUBTUSALFIXNV-GLDPYIMESA-N	400.538	3.943	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1	792987855	RRZJDMSUEBTWDG-UHFFFAOYSA-N	412.490	3.522	10	20	HHCD	
COc1cccc(CNc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1O	796429072	NAPUBOWULABGLM-UHFFFAOYSA-N	404.532	3.966	10	20	HHCD	
O=C(NCCCN(C(=O)C1CCC1)C1CC1)NCc1cc(Cl)cc(Cl)c1O	805093256	HGLZPRJSMDPUTF-UHFFFAOYSA-N	414.333	3.679	10	20	HHCD	
CC(C)(CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(F)c1	807262916	YXUHXOJSUFISPJ-UHFFFAOYSA-N	424.472	3.747	10	20	HHCD	
CC(C)CN(CCc1ccc(F)cc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290255	SAZDNASYFSCFBW-UHFFFAOYSA-N	423.532	3.545	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)Cc2cccs2)cc1	807628109	QXXIZGJHKJYNMO-KRWDZBQOSA-N	401.576	3.548	10	20	HHCD	
Cc1cc(F)ccc1CCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	808653097	TVTOJQBGSNLDNC-UHFFFAOYSA-N	412.505	3.860	10	20	HHCD	
O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	809709825	SIOMBEVMMUJVPN-IFMALSPDSA-N	401.551	3.547	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2nnc3ccccc3n2)c(C)n1-c1cccc(F)c1	811313863	GHJXXOKIKSPWLI-UHFFFAOYSA-N	404.401	3.611	10	20	HHCD	
C[C@@H]1CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1(F)F	812024339	MNBCNGVLRDTSPG-CYBMUJFWSA-N	403.420	3.944	10	20	HHCD	
COc1ccc(CN(Cc2ccc3ccccc3c2O)[C@H]2CCS(=O)(=O)C2)cc1	816490189	NTUCZYPJWGTNEK-FQEVSTJZSA-N	411.523	3.743	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(NCc2cc(Cl)c(F)cc2O)CC1	816545831	KBWYXLPFWJSZEK-UHFFFAOYSA-N	406.885	3.517	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@H](O)C12CCCC2	816630618	LLJSVWOQSMQMIO-ZDUSSCGKSA-N	405.130	3.797	10	20	HHCD	
CC(C)CNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1	821684443	YYZDWBFVMHWHJL-UHFFFAOYSA-N	412.515	3.765	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=N)Nc3ccc(OC)c(Cl)c3)cc2F)CC1	849101168	RHTTXZNABMJFNE-UHFFFAOYSA-N	419.932	3.766	10	20	HHCD	
COc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1Cl	914614298	YEVBDUMOYNSTPY-UHFFFAOYSA-N	413.861	3.947	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1C	915219312	NLMHKJHNVPYDRV-UHFFFAOYSA-N	404.469	3.657	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)c4ccccc43)cc2F)C[C@@H](C)O1	917056902	BQTXVAIGQWWYJU-OKZBNKHCSA-N	411.521	3.679	10	20	HHCD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1	918082073	YSABIIICAMPFNV-KBXCAEBGSA-N	401.482	3.503	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1c1ccc(F)cc1	918221301	URIPNDQDOOFITE-OAQYLSRUSA-N	415.484	3.973	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1OC	918309122	FYWYPUYFBPEGQM-UHFFFAOYSA-N	413.518	3.537	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)cc1	920872589	UTATUEFKGKPCIW-HYBUGGRVSA-N	422.573	3.721	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1F	1116846639	DWUREOHMMOXPGR-UHFFFAOYSA-N	406.479	3.623	10	20	HHCD	
Cc1cnoc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1845398923	SHMRROIXXXIMJA-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](Nc3ccc4nnc(C(F)F)n4n3)C2)cc1	301734028	UHZXJHLMCOKQHZ-NSHDSACASA-N	410.375	3.744	10	20	HHCD	
Cc1c(CNC(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)n(C)c2ccccc12	472229736	ABDIMMKMZSVYPT-MRXNPFEDSA-N	413.522	3.945	10	20	HHCD	
O=[N+]([O-])c1cc(CNCCCS(=O)(=O)c2ccccc2)ccc1N1CCCCC1	725847898	JNWBAPHKFUTJDY-UHFFFAOYSA-N	417.531	3.539	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1	726611527	RGWLBQFOSILPAV-JOCHJYFZSA-N	422.573	3.628	10	20	HHCD	
COC(=O)CSCc1cccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	729039542	SZWZYEVDKNVGJH-ZDUSSCGKSA-N	404.488	3.690	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(SC)sc3c2)c1	729064523	SSOIUQUCACBHDK-SNVBAGLBSA-N	417.512	3.548	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCc1ccc(OC)c(OC)c1OC	731284060	VKDIUNNFXSYPRJ-UHFFFAOYSA-N	402.491	3.582	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1F	731345962	OGGPBOKBCVOVOT-UHFFFAOYSA-N	406.527	3.582	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccc(I)o1	734404531	JEWQRXOOWCWTTA-CLFYSBASSA-N	410.255	3.588	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC(C)(C)c3cccs3)cc2F)CC1	735189158	WMHZDTWZLIAVMK-UHFFFAOYSA-N	404.555	3.764	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H]3CSc4ccccc43)cc2F)CC1	735581241	OGJVKJCGNVSVMB-IBGZPJMESA-N	414.550	3.614	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H](Cc1ccccc1)C1CC1	736667282	NOTWCHOQKBQOST-XMMPIXPASA-N	407.558	3.716	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c([N+](=O)[O-])c1	740605203	PCUMWDJHDVFZRI-UHFFFAOYSA-N	405.476	3.641	10	20	HHCD	
CCOC(=O)c1nnc2ccccc2c1NCc1ccc(N2CCC(CO)CC2)cc1	740760086	SXDVJAFFBGNUPK-UHFFFAOYSA-N	420.513	3.627	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(N2CCCCCC2)c1	741136558	YYPLLOAOEOXZQN-UHFFFAOYSA-N	406.479	3.794	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-n2cccn2)cc1	743564411	KUKXMQDAFOYDJT-MOPGFXCFSA-N	419.529	3.830	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CSc1nc(C)cc(C)n1	743809261	QMYGITHCKJZWGL-UHFFFAOYSA-N	410.337	3.702	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCc4c(O)cccc43)cc2F)C[C@@H](C)O1	745648821	PNAPZPRFLPKRQJ-MDOVXXIYSA-N	413.493	3.632	10	20	HHCD	
CCc1cnc(CN(C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1	747845412	PCXRRIZWDWPPGC-UHFFFAOYSA-N	419.506	3.551	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)c2C)c1	749380580	XREDVBUEZAHLBV-IBGZPJMESA-N	400.544	3.503	10	20	HHCD	
Cc1nc(O)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1-c1ccccc1	749879217	QBNPFSLUEWYDEA-UHFFFAOYSA-N	417.509	3.871	10	20	HHCD	
COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2ccc3c(c2)CCN3C)cc1OC	751524363	LIDVBOBUAXOEPO-JOCHJYFZSA-N	407.514	3.644	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)Nc3cc(C)c(Cl)cc3OC)CC2)cc1F	753856280	CQKQDDIRMMHVKA-UHFFFAOYSA-N	421.900	3.565	10	20	HHCD	
C[C@@H](N[C@H]1CCc2c[nH]nc2C1)c1cc(Br)cc(Br)c1O	756645187	FELCGXFAFBSIRQ-KCJUWKMLSA-N	415.129	3.848	10	20	HHCD	
CC(C)N1C[C@H](N[C@@H](C)c2cc(Br)cc(Br)c2O)CC1=O	756738384	OLXMBBIFMQIAGH-GXSJLCMTSA-N	420.145	3.577	10	20	HHCD	
Cc1cccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)[nH]2)c1	757041399	HSDULDPUCVJSNR-UHFFFAOYSA-N	422.504	3.724	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)cc1	757898204	MMBTUZOCWOGTFJ-UHFFFAOYSA-N	423.517	3.832	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@@H]3CCCCC3(C)C)CC2)cc(OC)c1OC	759221758	FZAAHIDHFSTOAP-KRWDZBQOSA-N	404.551	3.968	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C\c3ccc4[nH]ccc4c3)CC2)cc(OC)c1OC	759223679	USPKYDLUHVOFBS-ALCCZGGFSA-N	421.497	3.556	10	20	HHCD	
C[C@@H](O)C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1	759564775	QQCHXUSXQDTPKT-WIYYLYMNSA-N	413.587	3.594	10	20	HHCD	
O=C([C@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc2O1)N1CCCCC1	759777173	PFOPPCUQCMHEQV-SINXNMPMSA-N	411.889	3.555	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(CNCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	760661233	CZKXOXKPCGPIGY-UHFFFAOYSA-N	421.557	3.524	10	20	HHCD	
CN1C(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C(=O)[C@@H]1c1ccccc1	761160087	OLQRIQUBQOBCRA-IBGZPJMESA-N	415.440	3.892	10	20	HHCD	
Cc1ccc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)cn1	761633271	KYLNONDTQMZLJZ-UHFFFAOYSA-N	414.468	3.675	10	20	HHCD	
CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC1CCN(c2ccc(OC)cc2)CC1	764457501	LSSMEUJGPMHUJZ-XMMPIXPASA-N	409.574	3.733	10	20	HHCD	
COc1cc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc(OC)c1OC	765294811	AILZAHDCSGGLID-QGZVFWFLSA-N	414.546	3.772	10	20	HHCD	
CCCN(Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1)Cc1ccccc1O	766872059	LJAQSHMGWLENQS-UHFFFAOYSA-N	409.412	3.660	10	20	HHCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@@H](C(N)=O)c1cccc(Br)c1	768528069	DEAHWODZNJEXQZ-CQSZACIVSA-N	401.663	3.606	10	20	HHCD	
COc1cccc(SCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	768916683	SMQDVGIIDBLZCH-KRWDZBQOSA-N	420.962	3.927	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)cc1F	769087594	NCWZUUDDEFGOGJ-VXKWHMMOSA-N	407.493	3.816	10	20	HHCD	
O=C(N[C@H]1CCO[C@]2(CCSC2)C1)N(Cc1ccco1)Cc1ccccc1O	769243309	YRLMLCUNWBMFQF-LAUBAEHRSA-N	402.516	3.752	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC2CCC(O)(c3cccnc3)CC2)cc1F	770404616	BFUGKFAECGJJNT-UHFFFAOYSA-N	414.525	3.697	10	20	HHCD	
CCCN(CCC)C(=O)CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771055765	DVVLHBQWKKXUFG-LJQANCHMSA-N	423.985	3.555	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C/c2ccc(SCc3ccccc3)cc2)SC1=S	771850552	LZRONDOZWYEZKC-YBEGLDIGSA-N	400.550	3.665	10	20	HHCD	
Cc1cccc(-c2nc(C)c(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)[nH]2)c1	772099818	FMCTUPQTEMAYEO-UHFFFAOYSA-N	420.513	3.575	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCCC2=CCCCC2)cc1	774687736	PQSWVUDSBKWBGC-UHFFFAOYSA-N	409.530	3.881	10	20	HHCD	
O=[N+]([O-])c1ccc(O)c(CNCc2ccc(Cl)cc2I)c1	775028435	QWVQDKHOXGFODK-UHFFFAOYSA-N	418.618	3.848	10	20	HHCD	
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)O1	775499664	JUXAPLXGFSWBSJ-GHTZIAJQSA-N	423.517	3.534	10	20	HHCD	
CC[C@H](Nc1ccc(OC)c(-n2cnnn2)c1)c1cc(Br)ccc1O	775546601	MLXSZSHOFHZHGV-AWEZNQCLSA-N	404.268	3.702	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1ccccc1Br)c1ccc(N(C)C)cc1	775831437	RYAGNKJHAALADI-HNNXBMFYSA-N	404.352	3.824	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN[C@@H]1CCN2CCC[C@@H]2C1	776019913	SBUWNHDDNNDOBR-CHWSQXEVSA-N	404.146	3.634	10	20	HHCD	
CC(=O)c1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)nc1C	776835394	IDCKNYVWFMXBFX-UHFFFAOYSA-N	417.456	3.901	10	20	HHCD	
CCOC(=O)[C@H](NCc1cc(C)ccc1O)c1ccc(OC)c(Br)c1	779178003	JGZCQELUSZXEQL-GOSISDBHSA-N	408.292	3.866	10	20	HHCD	
CSc1ccc(Cl)c(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1	781045824	RITAMEOEXXMXTR-UHFFFAOYSA-N	403.935	3.983	10	20	HHCD	
O=C(Nc1ccccc1)Nc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1	782508321	SKLGWCTVPBEMKH-UHFFFAOYSA-N	406.394	3.782	10	20	HHCD	
O=C(NCC1(c2ccccc2)CCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	785835732	UDFZIENXHCBWJA-UHFFFAOYSA-N	418.493	3.752	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cccc(OC(F)F)c1	787860861	CHVSIGGFNDELOL-CQSZACIVSA-N	406.429	3.610	10	20	HHCD	
O=C(CSCC(=O)c1ccccc1)Nc1c(-c2ccccn2)nc2ccccn12	787912801	HNRGZWDYGIWKNG-UHFFFAOYSA-N	402.479	3.951	10	20	HHCD	
Cc1cc(C(=O)N2CCSCC2)ccc1NCc1ccc(N2CCOCC2)cc1	789889357	FIWLANMVLJUCMC-UHFFFAOYSA-N	411.571	3.633	10	20	HHCD	
Fc1cc(CNCc2cnn(Cc3ccccc3)c2Cl)ccc1N1CCOCC1	790519480	QEUWWBKSQIEZOK-UHFFFAOYSA-N	414.912	3.850	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1nc(Br)ccc1F	791629410	VZHCFECBIRNPQP-UHFFFAOYSA-N	412.222	3.945	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(C(C)(F)F)cc3)CC2)cc(OC)c1OC	794414165	JNTGZKYDXPKCBO-UHFFFAOYSA-N	420.456	3.787	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1c(F)cc(F)c(F)c1F	794781221	JGTGCBKFIMBEDU-UHFFFAOYSA-N	402.731	3.566	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)CC2)cc1	798424605	RQGPJZRGYFLQGE-UHFFFAOYSA-N	406.530	3.925	10	20	HHCD	
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)NCc1ccc(N2CCCC2)cc1	799242141	YCWPRPGBRDUVQN-QFIPXVFZSA-N	422.529	3.526	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1F	810265675	JGGUISJPFLUILH-ZWKOTPCHSA-N	419.541	3.791	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CO)c2ccc(Br)c(F)c2)c1O	813792815	XDXMLCOWLRERQU-CYBMUJFWSA-N	419.634	3.679	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c(C)n1-c1ccccn1	814142541	RKNODWUHYGXDQQ-IRXDYDNUSA-N	416.497	3.566	10	20	HHCD	
CNS(=O)(=O)c1cccc(CN[C@@H](CCc2ccccc2)c2ccccc2O)c1	815563814	OUAMXPNQYOVXEG-QFIPXVFZSA-N	410.539	3.764	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(N[C@@H](c3nc[nH]n3)c3cccs3)CC2)cc1	815573291	FLIVPDUNPMBGED-QGZVFWFLSA-N	405.474	3.816	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC[C@@H](CS(C)(=O)=O)C3)c2C)c1	817113445	IFGXYXRBDKPNCX-LJQANCHMSA-N	402.560	3.608	10	20	HHCD	
O=C1OC(c2ccc(C(F)(F)F)cc2)=N/C1=C/c1ccc(N2CCOCC2)cc1	912757461	HXESGOAQCBOUED-QGOAFFKASA-N	402.372	3.887	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C2CC2)cc1	914436937	DXPMYUWMZKFFBX-QGZVFWFLSA-N	411.933	3.950	10	20	HHCD	
CC[C@@H]1CO[C@H](C)CN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	915276237	PQCAUBSXBPLVJA-PJMOXLGBSA-N	424.613	3.755	10	20	HHCD	
CCOc1cc2c(cc1NC(=O)N1CCN(c3ccc(OC)cc3)CC1)O[C@H](C)C2	915334419	PNIHSGBGADOCMZ-MRXNPFEDSA-N	411.502	3.771	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)CC(=O)N(C)C3CCCCC3)c2C)cc1	915746240	ADTAIOSNXOVTEN-UHFFFAOYSA-N	411.546	3.966	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2c2cccc(F)c2)c1	917486965	NKCASODAESWNHM-HSZRJFAPSA-N	412.505	3.903	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@@H]3c3nc4ccccc4n3C)cc2F)CC1	1319694991	DWXCXYLGUYKQCB-HSZRJFAPSA-N	407.537	3.801	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1	15616670	OSHYAAISRNGCIQ-UHFFFAOYSA-N	400.519	3.760	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)O	16914948	ODXDFXCXJHGKCM-LICLKQGHSA-N	415.492	3.873	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Br)cn1	29450307	KZTISYPCGBJXPP-UHFFFAOYSA-N	403.305	3.975	10	20	HHCD	
CSCc1nc2ccccc2n1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	109181074	OKMKLDBNPMNQDN-QGZVFWFLSA-N	424.570	3.613	10	20	HHCD	
COc1ccc(CC[C@@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	109311253	OSYYXSPKFNUSID-LJQANCHMSA-N	411.546	3.695	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCCN3C[C@H](C)C[C@@H](C)C3)CC2)cc1	110464728	YMMHJLXRLAMHIE-WOJBJXKFSA-N	416.610	3.721	10	20	HHCD	
C[C@H](NC(=O)c1ccc(-n2cc[nH]c2=S)cc1)c1ccc(N2CCOCC2)cc1	148493183	ANLDYHXSMWPDKS-INIZCTEOSA-N	408.527	3.862	10	20	HHCD	
CCOc1cccc(CN[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)c1O	236930432	DRZHXHZODRRJTN-QGZVFWFLSA-N	401.526	3.923	10	20	HHCD	
COc1ccc(N2CCC(Nc3nc(O)c4cnn(-c5ccccc5)c4n3)CC2)cc1	301297367	SHHYUTOKJSDDKW-UHFFFAOYSA-N	416.485	3.611	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	303450984	CQMPUMDCUPWTNU-ZDUSSCGKSA-N	410.848	3.539	10	20	HHCD	
COc1ccc(N(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)C(C)C)cc1F	725815473	HWJVTFFXRIESPN-UHFFFAOYSA-N	415.509	3.729	10	20	HHCD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(CNCc3cc(Cl)ccc3O)cc2)C1	725845914	PHKHVMHAZRWNIZ-HNNXBMFYSA-N	408.951	3.756	10	20	HHCD	
CCSc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1	727789104	WTOTZIQVOWLHRS-GJZGRUSLSA-N	403.523	3.876	10	20	HHCD	
CN(c1ccc(CNC(=O)Nc2cccnc2-n2cncn2)cc1)C1CCCCC1	731278157	KAPXIFJZQKLGDG-UHFFFAOYSA-N	405.506	3.753	10	20	HHCD	
CCS(=O)(=O)N(C)C1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1	731353573	ZJBPIBHHUYBJLE-UHFFFAOYSA-N	402.516	3.538	10	20	HHCD	
CCCOc1cccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)c1	731409259	OFLFEFJFGBIYHJ-UHFFFAOYSA-N	401.482	3.716	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H](N3CCCC3)C2)c(C)n1-c1ccc2c(c1)OCCO2	735870382	VLTPGNGYYCHFTB-NRFANRHFSA-N	423.557	3.608	10	20	HHCD	
O=C(NCCSCCOc1cccc(Br)c1)c1cc(O)cs1	736679991	UQHFYQSIKDRKIT-UHFFFAOYSA-N	402.335	3.758	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC[C@H]1C	737054403	NVOHWLYJSFIQDW-MOPGFXCFSA-N	400.567	3.608	10	20	HHCD	
COc1cc(N(C)C[C@@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)cc(OC)c1OC	741807658	YHWGZWQTUSTBDS-QXAKKESOSA-N	405.535	3.519	10	20	HHCD	
CNS(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	743160617	FMSJNCATOPXHJQ-UHFFFAOYSA-N	417.531	3.667	10	20	HHCD	
CCc1ccc([C@H](COC)NC(=O)NCc2ccc(N3CCSCC3)cc2)o1	743635716	WBXHVFCDDOUCOD-IBGZPJMESA-N	403.548	3.582	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1	746158683	DTCPKMOZWXEYHU-UHFFFAOYSA-N	415.578	3.553	10	20	HHCD	
Cc1noc(C(F)F)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	746200621	NXUSJAPHNKCPGJ-UHFFFAOYSA-N	401.360	3.921	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F	746859039	JKIWCWBVKNHINS-GOSISDBHSA-N	415.481	3.706	10	20	HHCD	
CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	748462477	UBUXQABOUXHHGU-OAQYLSRUSA-N	414.594	3.687	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	748475647	HODFEUSKOMBJPQ-UHFFFAOYSA-N	410.857	3.880	10	20	HHCD	
COc1ccccc1CC(C)(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749407164	SUKIAFXXESGWHB-UHFFFAOYSA-N	414.521	3.681	10	20	HHCD	
Cc1cc(C(=O)NCc2ccccc2CS(C)(=O)=O)c(C)n1-c1ccc(F)cc1	749437061	QOFNLZAPSDNEMQ-UHFFFAOYSA-N	414.502	3.708	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1	751305086	DUXCOGHANDHUPD-UHFFFAOYSA-N	409.511	3.806	10	20	HHCD	
CCOc1ccccc1C(F)(F)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	753600776	RHTIMCBMQTXFKY-UHFFFAOYSA-N	418.484	3.702	10	20	HHCD	
CC(C)CN1CCO[C@@H](CN[C@H](C)c2cc(Br)cc(Cl)c2O)C1	756355672	QRKIYKOSEKJNRI-OCCSQVGLSA-N	405.764	3.816	10	20	HHCD	
C[C@H](NC1CCN(C[C@H]2CCCO2)CC1)c1cc(Br)cc(F)c1O	756574520	MVWAIOAFAGRYHM-SWLSCSKDSA-N	401.320	3.588	10	20	HHCD	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)NC(c1ccccc1)c1ccccc1	759590810	AKWAPISCNOCAPW-REZBVGGZSA-N	417.461	3.949	10	20	HHCD	
C[C@H](NC[C@@H](CO)Cc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O	760033434	JPYVWMAMVLWTDZ-JSGCOSHPSA-N	409.280	3.565	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](C[C@@H]1CCOC1)c1ccccc1	761682228	HUJZTQKXHICGAB-HNAYVOBHSA-N	414.889	3.978	10	20	HHCD	
Cc1ccc2nc([C@@H]3CCCN(CC(=O)N(C)Cc4ccc(N(C)C)cc4)C3)[nH]c2c1	762357336	JWPNCIOVZZSKCU-HXUWFJFHSA-N	419.573	3.775	10	20	HHCD	
COc1ccc2c(c1)CCCCN2Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1	766267119	ANAUHUGSRFWCJA-UHFFFAOYSA-N	410.543	3.872	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1CC(C)C	766458274	CAZMJWISZAXXNH-MRXNPFEDSA-N	406.477	3.848	10	20	HHCD	
CSc1ccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	768513172	XSGVZZZXQGELTL-IYBDPMFKSA-N	418.534	3.856	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1	770350699	ICIPOMPECJXVSP-RXVVDRJESA-N	403.567	3.791	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC(CO)(Cc2ccccc2)CC1	770739770	MAXWWFOILDSIRT-UHFFFAOYSA-N	405.589	3.652	10	20	HHCD	
Cc1cccc(C2=CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)c1	770756232	LYUTXZVHNNEMIF-UHFFFAOYSA-N	409.505	3.970	10	20	HHCD	
Cc1[nH]ccc(=NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1Cl	771767656	DARFYRCJJKYDND-BETUJISGSA-N	406.889	3.540	10	20	HHCD	
Cn1cc(CN2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)cn1	772748979	CHDNFDNCXCGGGR-UHFFFAOYSA-N	417.517	3.592	10	20	HHCD	
CCN(C)c1ccc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1	773843587	ADAPXPCJJPGKEG-SFHVURJKSA-N	401.576	3.876	10	20	HHCD	
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)n1	773845471	HGGLWMHVGLAILJ-MRXNPFEDSA-N	406.486	3.840	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(-n3cnc4ccccc43)cc2)c1O	774991556	HEMQTDLDROCRFI-UHFFFAOYSA-N	404.426	3.938	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	775454143	MWASCRWFJDPXRO-INIZCTEOSA-N	418.563	3.664	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1OC)Cc1cc(Br)cc(C)c1O	775634773	WYINLSFUHVAFOE-UHFFFAOYSA-N	407.308	3.932	10	20	HHCD	
Cc1cc(C(=O)CN2CCc3nnc(O)cc3C2)c(C)n1-c1ccc(C(C)C)cc1	775773130	KTGLBPFPZIFGIR-UHFFFAOYSA-N	404.514	3.954	10	20	HHCD	
OC[C@@H](NCc1cc(Br)cc(Br)c1O)c1ccc(F)cc1	776174483	BIGDILRNTCHFOD-CQSZACIVSA-N	419.088	3.880	10	20	HHCD	
Cc1ccc([C@H](O)CNCc2cc(Br)cc(Br)c2O)o1	776215746	HFFUVNCDFBMSDM-GFCCVEGCSA-N	405.086	3.642	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)c(C)n1-c1ccccn1	776543756	BWBDJVKMHGZXKY-LJQANCHMSA-N	412.534	3.864	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1csc(C(C)(C)C)n1	777827526	BGFNWPGBPIKLLE-UHFFFAOYSA-N	410.923	3.544	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC2CCCC2)c1O	778617846	KPFVZPFNSULEPU-UHFFFAOYSA-N	418.877	3.631	10	20	HHCD	
COCCO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1	781699653	HQAJJGSNJINOEG-INIZCTEOSA-N	421.335	3.734	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cnc(Br)c(C)c3)CC2)cc1	783115367	WNZAITHXPSWRJV-UHFFFAOYSA-N	419.323	3.952	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)ccc21	786621410	UNQGBTLIRVYKCB-BDXSIMOUSA-N	415.367	3.756	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H]1CC2(CCC2)C(=O)O1	790165934	YEAMXTYBJNNCIC-OAHLLOKOSA-N	400.500	3.919	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(F)c(Br)cc1OC	790412182	ZNKHXCVCAKJFSB-UHFFFAOYSA-N	420.256	3.502	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)c2C)cc1	791170137	HLZIBCHHONVDGM-QGZVFWFLSA-N	408.502	3.983	10	20	HHCD	
COC(=O)[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccc2c(c1)CCO2	793097280	GKHFNCLXGNBKEK-LJQANCHMSA-N	408.420	3.710	10	20	HHCD	
Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1N1C(=O)CNC1=O	793356046	GBQITXSEYJIYFB-UHFFFAOYSA-N	423.473	3.562	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2cc(Cl)nc(C3CC3)n2)CC1	795241151	JWFPUERQAUWVQR-UHFFFAOYSA-N	408.889	3.830	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1cccc(-c2ccccc2)c1	795805078	WJZOVOGPWHFWAH-UHFFFAOYSA-N	408.523	3.669	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCCc3nn(C)cc32)c(C)n1-c1cccc(F)c1	798755002	DGNADGNBOXGHFC-GOSISDBHSA-N	409.461	3.813	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[S@](=O)[C@H](C)[C@H]3C)cc2Cl)C1	799993142	CVSKUPFIMBDHJU-SHNNRBKMSA-N	411.999	3.627	10	20	HHCD	
Cc1nc(CS(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cs1	800148940	TZIRLCVBWRUGHY-CYBMUJFWSA-N	413.996	3.961	10	20	HHCD	
Cc1ccc2c(c1)[C@H](NC(=O)C(=O)NCc1ccc(N3CCC(C)CC3)cc1)CC2	805022885	HDULDWNZLXZMAL-HSZRJFAPSA-N	405.542	3.651	10	20	HHCD	
COc1ccccc1[C@@H]1CCCCN1C(=O)C(=O)NCCCSc1nccs1	806277562	DNMXBPUESCLDPS-INIZCTEOSA-N	419.572	3.504	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(Cc4c[nH]c5ccccc45)n3C)CC2)cc1	809875358	JVZIFWVFKOVPHV-UHFFFAOYSA-N	416.529	3.613	10	20	HHCD	
COc1cc(C[C@@H](CO)CN[C@H](C)c2cccc(C(F)(F)F)c2O)cc(OC)c1	815585727	QOCUNXPFHRPBHN-UKRRQHHQSA-N	413.436	3.930	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3OC(F)F)cc2F)C[C@@H](C)O1	917713034	ZKQVASZKZSJRIK-OKILXGFUSA-N	408.420	3.971	10	20	HHCD	
COc1cccc([C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)N(C)C)c1	918057736	VIKCBFNLZSKFQL-QHCPKHFHSA-N	410.562	3.738	10	20	HHCD	
COc1cc(F)cc(F)c1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	1116102111	VLAMGOPZSABZRK-UHFFFAOYSA-N	410.486	3.688	10	20	HHCD	
COC(=O)N1CCCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	1318182794	JVAVJOMCXJPBGU-UHFFFAOYSA-N	403.910	3.591	10	20	HHCD	
C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(N2CCOCC2)cc1	109180828	JAQUHHOAWBRHJK-HNNXBMFYSA-N	416.905	3.829	10	20	HHCD	
C[C@H]1CCc2nc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)sc2C1	141546846	BDSGAUYDKBLRGY-GJZGRUSLSA-N	400.548	3.987	10	20	HHCD	
C[C@@H](NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1Cl	302833736	QCWJIQUAZFVMMM-SJLPKXTDSA-N	402.922	3.904	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1	437002852	ALAKBRSLQBENAJ-UHFFFAOYSA-N	423.904	3.903	10	20	HHCD	
O=C(CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1cccc2cccnc12	725850415	FCYNQNZGCDMVOC-UHFFFAOYSA-N	419.485	3.862	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Cc3ccc(-n4nc(C)cc4C)cc3)CC2)cc1	726561768	QQOHWMVFMONNMF-UHFFFAOYSA-N	418.541	3.825	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nc(-c2cccnc2)no1	729604555	DFEXNBOMRZRCIS-GOSISDBHSA-N	412.469	3.533	10	20	HHCD	
COCCN1CCC[C@H](NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	729983734	QMHDLQPQBFENQL-FQEVSTJZSA-N	403.954	3.517	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)cc1F	731346828	XYIMCKFZVARJCV-HNNXBMFYSA-N	424.513	3.680	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)cc1F	731363707	LUVGIOQOTIAJKF-GOSISDBHSA-N	414.525	3.759	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)C2CC2)cc1	731844877	PLWMQJCQZNDJIK-WIOPSUGQSA-N	408.542	3.949	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C(C)(C)Oc1cccc(Cl)c1	733012997	KKPOBIFVOXGGFG-UHFFFAOYSA-N	418.921	3.765	10	20	HHCD	
CCOc1ccc(N(CC)CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	734147565	RXJKNJHDYMQMNG-UHFFFAOYSA-N	404.532	3.734	10	20	HHCD	
Cc1cc(CC(=O)O[C@H](C)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	734180062	IGPWSNZTPSRMCM-UZLBHIALSA-N	418.921	3.517	10	20	HHCD	
CC(C)N(CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(=O)OC(C)(C)C	735517290	JISGMRZZXKRZRL-LJQANCHMSA-N	420.550	3.935	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1	735869657	SCBIYNTZNVAOPR-UHFFFAOYSA-N	405.520	3.906	10	20	HHCD	
Cc1cc(CC(=O)NCCCOC[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1	740791428	WSQZUPFLNCHKHA-GOSISDBHSA-N	404.938	3.849	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@H](O)c3c(Cl)cccc3Cl)ccc21	741083095	SQKLAUCPZAFNKR-SFHVURJKSA-N	408.329	3.909	10	20	HHCD	
O=C(Nc1cc(-n2cnnn2)ccc1F)N(Cc1ccccc1O)C1CCCCC1	743138846	BVYFKYFSILOLHJ-UHFFFAOYSA-N	410.453	3.874	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)NCc3ccc(N(C)C)c(F)c3)n2)c1	743703695	LXNUWNPWKUXYIP-CYBMUJFWSA-N	413.453	3.511	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1	745820693	RYDPAGMTVRBLFU-LLVKDONJSA-N	402.838	3.665	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H](OCC)C1(C)C	748625221	LLJUZEYBIUTPMR-NHCUHLMSSA-N	403.567	3.648	10	20	HHCD	
CC[C@@H](C)n1ncc2c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(C)nc21	751048302	DUBJYUFQWIPZGW-QGZVFWFLSA-N	407.518	3.682	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N(C)Cc1ccccc1	751938318	YHFIHESGHIKYOY-HNNXBMFYSA-N	409.511	3.520	10	20	HHCD	
CS(=O)(=O)c1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1Cl	752089499	XJCKCPOVGWKOAU-UHFFFAOYSA-N	419.886	3.885	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccnc(Br)c3)cc2F)C[C@@H](C)O1	758176454	FKVPESGINVRVDH-BETUJISGSA-N	422.298	3.527	10	20	HHCD	
Cc1ccccc1-c1csc(NS(=O)(=O)c2ccccc2Cn2cncn2)n1	758389368	OBYYMLSVNQOYEJ-UHFFFAOYSA-N	411.512	3.559	10	20	HHCD	
COc1cccc(C2=CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2)c1	758407783	PZXDAOMQIPXTFC-GOSISDBHSA-N	407.514	3.702	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc(F)c4cccnc34)CC2)cc1	759274976	XFEMSPYOWLPXRT-UHFFFAOYSA-N	408.521	3.684	10	20	HHCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2	759589462	SHFPLFXBYBZYTG-ALTKIIGISA-N	409.482	3.799	10	20	HHCD	
CC(C)Oc1ccc(N(C)CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1	759935024	ZRFDMNMJEQVZAZ-UHFFFAOYSA-N	415.578	3.598	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1ccc(F)cn1	764098228	MPOYIMIPVGZXQR-OQLLNIDSSA-N	421.544	3.580	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCOCC2)cc1	765331384	RWGVGYAUCKRASY-OALUTQOASA-N	413.537	3.911	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC1CC(OCc2ccccc2)C1	766088055	UHZNWLFLWQIPLL-UHFFFAOYSA-N	411.571	3.787	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(-n2cnnn2)c1	766236445	DJFOBRYSIHOJBI-WBVHZDCISA-N	414.460	3.583	10	20	HHCD	
CCOc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC	768912924	STTQZEHNPKZCMS-GOSISDBHSA-N	418.921	3.847	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@@H](c3cccc(C(F)(F)F)c3)N(C)C)cc2)CC1	768945901	MYNIOCGYAXZTPW-QFIPXVFZSA-N	420.523	3.850	10	20	HHCD	
Cc1ccc2c(c1)CCN2C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	773756172	GUDCKJVOHRXGMW-UHFFFAOYSA-N	414.508	3.766	10	20	HHCD	
C[C@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1ccc(N2CCOCC2)cc1	775258918	CBZMEHPSPJMYTA-IRXDYDNUSA-N	401.938	3.705	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c[nH]c2c(C)cccc12	777828331	NMQVEXRJJDQUGH-UHFFFAOYSA-N	400.862	3.580	10	20	HHCD	
O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)NCc1ccc(O)c(O)c1	778926991	IPILBSZLMLOZGJ-UHFFFAOYSA-N	423.416	3.711	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(-c2ccc(C)cc2C)c1	786426647	MIJIUDPMDYOBEC-UHFFFAOYSA-N	406.486	3.572	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CN(C(=O)OC(C)(C)C)C1	788609500	QGKXVQPKHRXRCH-BEFAXECRSA-N	423.985	3.855	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(Cl)c(I)c2)c(O)c1	794370222	NYSZTLOXHUKAHB-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c(=O)n(C)c1	800548239	JPECZYLBPYKIRE-CQSZACIVSA-N	402.926	3.905	10	20	HHCD	
Cc1nn(C)c(Br)c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	800846842	YTRNQRYFZUSIKX-UHFFFAOYSA-N	424.254	3.519	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)N(C)C2CCCC2)NC(=O)OC(C)(C)C)cc1	800940023	BOWLYUFLIJTYDH-IBGZPJMESA-N	404.555	3.902	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	802497219	ZQYZEHVGULVTPA-OAQYLSRUSA-N	423.561	3.979	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2ccncc2)cc1)C1CCCCC1	803676899	VHDXFHPNJXONTQ-HSZRJFAPSA-N	420.557	3.830	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@@H](CC)c2cc(Cl)cc(Cl)c2O)CC1	806131064	GEVYHOYODXNSHB-INIZCTEOSA-N	409.379	3.944	10	20	HHCD	
CC[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1cc(Cl)cc(Cl)c1O	806156466	DEMDHMVUDDSWGZ-INIZCTEOSA-N	410.301	3.867	10	20	HHCD	
C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1Cc1ccccc1	806438514	GYMQKNQDBGXLCP-XXBNENTESA-N	424.614	3.702	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc(F)c(F)cc1N1CCOCC1	806710519	ROPPRUPUORJPNK-UHFFFAOYSA-N	405.445	3.951	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1nc2c(Br)cccc2s1	806740298	HTHKDTYUTLSDGL-UHFFFAOYSA-N	408.277	3.834	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CCC=C(c4ccco4)C3)cc2F)CC1	806750369	QCGGRNDXGNVSDU-UHFFFAOYSA-N	412.509	3.560	10	20	HHCD	
Cc1ccc(CC[C@@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)o1	807652184	NWSPYBGVDUUDLS-MRXNPFEDSA-N	410.470	3.553	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(F)ccc1SC	807845614	QWIAZIBPECQRQM-UHFFFAOYSA-N	404.507	3.698	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)nc3C)n2)cc1	808525981	JTHJSIWMYSNEHX-UHFFFAOYSA-N	422.919	3.926	10	20	HHCD	
C[C@@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cc(F)cc(F)c1O	810253963	BYCVLPBJTJDEKE-CYBMUJFWSA-N	415.440	3.890	10	20	HHCD	
O=S(=O)(C1CC1)N1CCC(N[C@H](CCc2ccccc2)c2ccccc2O)CC1	815596475	VMFNNBAKEBAUEH-JOCHJYFZSA-N	414.571	3.612	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cn(CC(C)C)nc3C(F)F)CC2)cc1F	857464938	WSYMKUXHNLNAGG-UHFFFAOYSA-N	410.440	3.587	10	20	HHCD	
Cc1cccc(OCCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	857472751	NTGMQQLSZIRXRW-LJQANCHMSA-N	402.922	3.904	10	20	HHCD	
Cc1sc(NC(=O)[C@H]2CCS(=O)(=O)C2)c(C(=O)OC(C)C)c1-c1ccccc1	913193391	LQNAXGALYJHCCA-HNNXBMFYSA-N	421.540	3.662	10	20	HHCD	
Cc1cc(C(=O)CS(=O)(=O)c2ccccc2)c(C)n1-c1ccc2c(c1)OCCO2	915675865	CQAPRINBBJQMIO-UHFFFAOYSA-N	411.479	3.522	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccccc3-n3cccn3)cc2F)C[C@@H](C)O1	916681986	OYIQZXVKLIKISC-IAGOWNOFSA-N	423.492	3.947	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)NC1CCN(Cc2ccccc2C)CC1	917077413	NTTGDUVPPPFPIW-UHFFFAOYSA-N	407.558	3.537	10	20	HHCD	
COCCN(Cc1ccccn1)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	918200610	WFKQYAHTZRGNSO-UHFFFAOYSA-N	406.530	3.890	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)Cc2ccccc2F)cc1	918228814	MEYDXRZLRNCBIC-UHFFFAOYSA-N	400.542	3.945	10	20	HHCD	
COCCCCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1	920044801	WQEKJYMIYDTREM-UHFFFAOYSA-N	411.546	3.662	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1	920871382	YKEMXYDJGBAESF-ZDUSSCGKSA-N	415.342	3.870	10	20	HHCD	
CNC(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)n1	1116278500	COPUWSMZOJJYJE-UHFFFAOYSA-N	419.481	3.505	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)COCc3nc4ccccc4s3)CC2)cc1	1319870148	JTAAQXCYZWFYKQ-UHFFFAOYSA-N	411.527	3.560	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)s3)n2)cc1	1321450855	BFBVRRAUBNFSNR-UHFFFAOYSA-N	407.542	3.617	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(CN4CCCCC4=O)cc3)CC2)cc1	1323193617	RBYFWRHYJRCJCP-UHFFFAOYSA-N	421.541	3.560	10	20	HHCD	
c1ccc(CN2CCN(CCCCNCc3ccc(N4CCCC4)cc3)CC2)cc1	1338750485	BFMCVAMPUBDWTK-UHFFFAOYSA-N	406.618	3.974	10	20	HHCD	
Cc1ccoc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	16416546	DIDIYFVZMJZXHU-CYBMUJFWSA-N	403.390	3.547	10	20	HHCD	
CCN(C)Cc1cccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	64228392	SKNKCWOFLAJMLK-LJQANCHMSA-N	410.562	3.535	10	20	HHCD	
Cc1cc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)c(C)n1-c1ccccn1	109810704	XADNARMRTWKOJD-UHFFFAOYSA-N	417.557	3.663	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1	110467340	SVYHWTFQPKXNPP-UHFFFAOYSA-N	400.544	3.521	10	20	HHCD	
C[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1O	216479833	AVEPRVPSLVRTIT-QGZVFWFLSA-N	403.482	3.693	10	20	HHCD	
CC(=O)N(Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1)C1CC1	543881729	XXPPLGZAVQADRO-UHFFFAOYSA-N	408.502	3.694	10	20	HHCD	
Oc1c(Br)cccc1CNC[C@@H](O)c1ccc(OC(F)(F)F)cc1	725849994	BIOSJJJNGKRZRF-CQSZACIVSA-N	406.198	3.877	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H]3COc4ccc(Cl)cc4C3)CC2)cc1	726560783	MXFKJSLXSKZEMM-MRXNPFEDSA-N	400.906	3.685	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1C	726660457	APPFTIGSALVGHK-UHFFFAOYSA-N	424.457	3.668	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cc2c1OCO2	727864915	YYXOHIKSQYMAST-OQLLNIDSSA-N	405.522	3.929	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1	729536218	XKAOIDHZJCAYAV-KXBFYZLASA-N	414.502	3.714	10	20	HHCD	
CCCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	731049948	XDZUJPUMEXXFNU-NRFANRHFSA-N	414.594	3.761	10	20	HHCD	
CCCc1c(C(=O)NCc2cccc(OC)c2O)nnn1-c1cccc(Cl)c1	731811537	ALLJWSVUYZYUSR-UHFFFAOYSA-N	400.866	3.517	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c(C)n1-c1ccccn1	732767343	BIVKQCPCIIVVHH-UHFFFAOYSA-N	401.474	3.841	10	20	HHCD	
CCSc1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1	733854963	AFPOGZZGGKWBCG-UHFFFAOYSA-N	415.584	3.607	10	20	HHCD	
C[C@H](CN(C(=O)/C=C\c1cccnc1)c1ccccc1)NC(=O)/C=C\c1cccnc1	733876674	CQJWAVNUHHFZPI-OMVJVUBTSA-N	412.493	3.741	10	20	HHCD	
CC1(C)CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCO1	735256449	OGORZSCJELCCDB-NTCAYCPXSA-N	424.613	3.757	10	20	HHCD	
Cc1ccccc1-n1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C	735828211	KDWYXZHKQXKPNR-UHFFFAOYSA-N	418.541	3.628	10	20	HHCD	
CCN(CC)c1ccc(CN(C)Cc2nc(O)c3ccc(C(=O)OC)cc3n2)cc1	741678413	REZJIXXZGGUJKP-UHFFFAOYSA-N	408.502	3.600	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1	742334130	FXYGFOZDEYEYKM-CQSZACIVSA-N	414.449	3.683	10	20	HHCD	
COc1ccc(N2CCN(CCNCc3ccc(N4CCCCC4)cc3)CC2)cc1	742700611	TYMZYSKPBYEMMH-UHFFFAOYSA-N	408.590	3.597	10	20	HHCD	
CC(=O)Nc1c(C)cccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742807294	ZJWICLMWTPMDKU-INIZCTEOSA-N	417.456	3.954	10	20	HHCD	
C[C@@H](CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)Cc1ccccc1	746774378	OBPXNXAELYDXJK-NRFANRHFSA-N	424.589	3.575	10	20	HHCD	
COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1	747858302	SHDLVEHVXKSQLN-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1	747951973	YVVXFQJPHMTYHC-IBGZPJMESA-N	409.578	3.953	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3ccc(-n4cncn4)nc3)c2C)c1	749349316	IIQSPFNXIPCZQF-UHFFFAOYSA-N	400.486	3.617	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1O	752928600	VCUXITNZMABIFW-GOSISDBHSA-N	403.454	3.738	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)c2C)c1	753027874	XYYKXRJZWRKBHE-HSZRJFAPSA-N	416.525	3.719	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cnccc1-c1cccc(F)c1	753561559	SUCMUTQKDZFLOM-UHFFFAOYSA-N	416.503	3.581	10	20	HHCD	
COCCOc1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(C)c1	753879233	KFVHAMBMNJBNAQ-UHFFFAOYSA-N	417.481	3.522	10	20	HHCD	
Cc1oc2c(CN3CCO[C@@H]([C@@H]4CCCO4)C3)c(O)ccc2c(=O)c1-c1ccccc1	756864308	XAOPVPBSAGEMCL-FCHUYYIVSA-N	421.493	3.854	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3c(C)cccc3C)CC2)cc(OC)c1OC	758914110	APSOYZSSYYDHOO-UHFFFAOYSA-N	415.559	3.848	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)cc(OC)c1OC	759238716	OYQHHWGKOABGTR-IYARVYRRSA-N	404.551	3.823	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCCCSc2nccs2)CC1	759575781	SWHQULTWEHWHNU-UHFFFAOYSA-N	414.597	3.572	10	20	HHCD	
CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N=c2nc[nH]n2C)cc1	762357184	OLQWGKYDYAERIT-SAPNQHFASA-N	424.508	3.590	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@H]3c3ccccc3)cc2)C1	763012636	GSDKGJWAIUHKQH-GGAORHGYSA-N	420.557	3.825	10	20	HHCD	
CN1C(=O)NC2(CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)C1=O	766299395	OVVPJYAPTCVIOG-UHFFFAOYSA-N	406.446	3.650	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1ccc(O)cc1	769349789	LBQAXBWKTWAQPL-WJDWOHSUSA-N	418.565	3.752	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc4nc(C(F)(F)F)cn4c3)CC2)cc1	769918611	XPYJPXXWHQUJHH-UHFFFAOYSA-N	418.419	3.761	10	20	HHCD	
COC(=O)C[C@@]1(NCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCCOC1	770702566	WRQMZEGHBGNHDN-QFIPXVFZSA-N	410.474	3.742	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H]3CCc4c(Br)cccc43)cc2)CC1	771832676	NVSBGTUCPJCQHO-NRFANRHFSA-N	400.364	3.978	10	20	HHCD	
C[C@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1ccc(N2CCOCC2)c(F)c1	773088148	NOWVBQQSSQDXMU-RBUKOAKNSA-N	412.553	3.934	10	20	HHCD	
CCCCOc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cn1	773210489	KPOYDWMFHFOJHW-UHFFFAOYSA-N	423.469	3.727	10	20	HHCD	
O=C(Nc1ccc(C2CC2)nn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	773285712	RKDHDBJJKMMPPK-CQSZACIVSA-N	403.433	3.746	10	20	HHCD	
CCCCCC[C@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	774707031	MPLGEWALGQKIIW-RCCFBDPRSA-N	421.557	3.531	10	20	HHCD	
COc1ccc([C@H]2CCCN2C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c(OC)c1	775834649	BSJKJCNMEQAAFB-VGOFRKELSA-N	411.546	3.784	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1cnn(CC(F)F)c1	777665897	AZVZFJYOSQMPOI-UHFFFAOYSA-N	422.841	3.865	10	20	HHCD	
COC(=O)CN(Cc1noc(-c2ccc(F)cc2F)n1)Cc1cc(Cl)ccc1O	781897196	PAWAGKPOCUNQEF-UHFFFAOYSA-N	423.803	3.549	10	20	HHCD	
O=C(COC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccc(O)c(O)c1	784673450	FGPZBFUMKHJLHB-UHFFFAOYSA-N	407.300	3.811	10	20	HHCD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1	787328620	RUZNRFWFEXCLDX-LAUBAEHRSA-N	409.530	3.668	10	20	HHCD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1	788837176	UUBRGSKHIHWHLF-UHFFFAOYSA-N	409.490	3.882	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3oc4ccccc4c3OC)CC2)cc1	788854605	MFWBFHGCYKKBKO-UHFFFAOYSA-N	409.486	3.872	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]c2ncc(Br)cc12	792239179	AOIARZZYIDMMMK-UHFFFAOYSA-N	400.276	3.840	10	20	HHCD	
CC[C@@H](NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccc(F)cc1O	796674621	INKAVLJOBCMJHU-UXHICEINSA-N	418.509	3.663	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCCCN1CCCC1	800126363	DUBPJVDSMPDQPK-PEZBUJJGSA-N	424.613	3.759	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F	806900299	VFFKMMSCTJERGH-CQSZACIVSA-N	423.435	3.646	10	20	HHCD	
Cc1ccc([C@@H]2CCCCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)o1	807291757	NAMRXHXNGZTYHE-NRFANRHFSA-N	407.514	3.724	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCn1cc(Br)cn1	807613240	YDSALVLORFUYFN-UHFFFAOYSA-N	422.371	3.722	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3ccnc4ccccc34)CC2)c(C)n1-c1ccccn1	808076590	ZBNIXXLMTSTUGP-UHFFFAOYSA-N	411.509	4.000	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1O	811705046	IVBUAQMJJXNPDQ-UHFFFAOYSA-N	400.840	3.680	10	20	HHCD	
O=C1COc2ccc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cc2N1	915222125	ZHGXIMLACLVSLR-UHFFFAOYSA-N	421.887	3.595	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)CCc3ccc(Cl)s3)CC2)cc1	916040696	CTNRIWNVGSNKSQ-UHFFFAOYSA-N	421.994	3.671	10	20	HHCD	
CNC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl	918046761	JSTXRRUFMAHVQT-INIZCTEOSA-N	417.893	3.618	10	20	HHCD	
Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)c1	918123377	VPZWPKBKSGCMEJ-CTNGQTDRSA-N	422.573	3.908	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cnc(S)n3-c3ccccc3)CC2)cc1	918369731	RRXOUPYQYNEAQP-UHFFFAOYSA-N	408.527	3.522	10	20	HHCD	
Cc1nccn1-c1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1F	920239817	ORFPDVLSWHAXRN-UHFFFAOYSA-N	407.493	3.919	10	20	HHCD	
CN(CCCNC(=S)Nc1cc(N2CCOC2=O)ccc1F)c1ccccc1	1115949501	MPBMXYBLZSHZPW-UHFFFAOYSA-N	402.495	3.595	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F	1116861205	YTZASYMJSIEAFF-UHFFFAOYSA-N	419.522	3.595	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)c1	1318272192	OSESEJUILYFTCA-HNNXBMFYSA-N	417.469	3.695	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCC1CCOCC1	1318486796	AGMUJSRAYSDTLP-DTQAZKPQSA-N	424.613	3.662	10	20	HHCD	
Cc1cnn(CC2CC2)c1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	1318767441	MUAURXBARFSEDT-HOTGVXAUSA-N	415.513	3.676	10	20	HHCD	
Cc1cc(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)c(C)n1-c1ccccn1	1339438565	OVGRZEFLEJJYSS-UHFFFAOYSA-N	407.489	3.838	10	20	HHCD	
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1339770718	DNSLUJRQYDHMFG-ZDUSSCGKSA-N	406.477	3.592	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccccc3OC3CCCC3)ccc21	60749206	SBXOFVLUBOJOCM-UHFFFAOYSA-N	407.514	3.645	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnn(-c3ccccc3)c2)cc1	96956540	UBXPIQNHLZMNIG-QHCPKHFHSA-N	404.514	3.760	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	148455109	HHGYZASEQWDFKM-QGZVFWFLSA-N	404.514	3.817	10	20	HHCD	
O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc21	195533900	DHVJXGMWLWSADV-UHFFFAOYSA-N	406.872	3.935	10	20	HHCD	
C[C@H](Nc1ccc(C(=O)Nc2ccccc2)nn1)c1ccc(N2CCOCC2)cc1	301318038	BXHKJGYSKFCAHS-KRWDZBQOSA-N	403.486	3.739	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)ccc21	481906001	HFADEZCQCSOOGZ-QFIPXVFZSA-N	405.542	3.909	10	20	HHCD	
C[C@@H](Oc1ccccc1F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726567858	QZZNCOOEUUZDDB-CQSZACIVSA-N	408.420	3.980	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2cc(OC)ccc2O)c([N+](=O)[O-])c1	728908570	MYJKYONBYQGTOK-CYBMUJFWSA-N	423.491	3.513	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1	729034652	RMRGGJIGAIJXRL-CYBMUJFWSA-N	405.882	3.774	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3nc(C(F)F)nc4ccccc34)cc2)C1	731206235	CDYOOVAXNLZRKA-HNNXBMFYSA-N	411.456	3.881	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCC[S@@](=O)Cc3ccccc3)c2C)cc1	731881968	MVXVPUFYNWWFRE-GDLZYMKVSA-N	410.539	3.781	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCC1(N2CCSCC2)CCCCC1	732702056	PNQUSAIWZRIKCQ-UHFFFAOYSA-N	416.635	3.838	10	20	HHCD	
Cc1noc(C)c1[C@H](C)N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	733797677	BPFURWRRSNBAAM-GXTWGEPZSA-N	417.465	3.745	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1Cl	735753131	JLTYQSCCRMUYRD-UHFFFAOYSA-N	417.893	3.879	10	20	HHCD	
Cc1ccc(N2CC[C@H](NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)cc1	742375892	XGPLDZJCEVTXOM-FQEVSTJZSA-N	408.502	3.789	10	20	HHCD	
COC(=O)c1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743100000	ZCWGDUOVXVULFI-INIZCTEOSA-N	419.428	3.865	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1	743155324	DJVURICZUNCBLK-UHFFFAOYSA-N	405.520	3.988	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(NC)c([N+](=O)[O-])c1	743807176	BUJQFNGERAAPBW-UHFFFAOYSA-N	408.252	3.767	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCc1nc(-c2ccco2)no1	743807638	KRASYOOGKJLQKL-UHFFFAOYSA-N	420.263	3.779	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)OCc3nc(-c4ccccn4)no3)c2C)cc1	746060673	XVWUPHHNWSFDSV-UHFFFAOYSA-N	404.426	3.905	10	20	HHCD	
Cc1noc(C2CCN(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)CC2)n1	747298664	ICDKVXYGBSXESS-UHFFFAOYSA-N	407.518	3.917	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2ccn(-c3ccccc3Cl)n2)cc1)C1=S=CC=C1	749130700	MAQJWYBKYBHZBP-UHFFFAOYSA-N	422.897	3.994	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cccc(F)c1I	750312048	BRRFEQJXVSUYPX-UHFFFAOYSA-N	422.288	3.799	10	20	HHCD	
COc1cc(Br)ccc1CCCNC(=O)/C=C/c1ccc(O)c(O)c1	753193888	PWNVFLKYOKZVOW-WEVVVXLNSA-N	406.276	3.631	10	20	HHCD	
CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N(C)C	756432609	JSZLXMKLEZCXSM-KBXCAEBGSA-N	401.463	3.569	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc2c(cc1O)CCCC2	756442863	RARWBIXWVBVKEM-UWJYYQICSA-N	407.558	3.824	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC=C(c4cccc(OC)c4)C3)CC2)cc1	758451033	XLGJCOWHCJSLQS-UHFFFAOYSA-N	407.514	3.781	10	20	HHCD	
Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C	759037467	ZVLPXTQAJVWRAP-UHFFFAOYSA-N	414.571	3.873	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccccc1O[C@H]1CCOC1	760066968	UWBZCJHTCWTVTA-IBGZPJMESA-N	413.543	3.729	10	20	HHCD	
CCSCCSCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	760515940	NDZJZHSIUKIZNE-HUUCEWRRSA-N	400.585	3.542	10	20	HHCD	
COc1ccccc1[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccn1	760833113	ZEPQINUEUHJMDU-JOCHJYFZSA-N	408.477	3.884	10	20	HHCD	
O=C1/C(=C\c2ccc(C(F)(F)F)s2)SC(=S)N1CCCN1CCOCC1	760990192	YUXSOYDNHYBOLA-ZRDIBKRKSA-N	422.519	3.690	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccncc3Br)cc2F)C[C@@H](C)O1	763280832	JNFHZLDQOYCIPL-BETUJISGSA-N	422.298	3.527	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1csc(Cc2ccc(F)cc2)n1	763280981	UHYXGTLKFDRSIB-CYBMUJFWSA-N	400.475	3.574	10	20	HHCD	
Cc1nn(CC(F)(F)F)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	763318856	ZOQBBWQRTWEZKM-GOSISDBHSA-N	424.467	3.641	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C	763909045	IVDCHLBPMDRDCE-FQEVSTJZSA-N	423.513	3.968	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3csc(-c4ccco4)n3)CC2)cc1	764351885	DKCVAIFTEVQECB-UHFFFAOYSA-N	412.515	3.880	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cc1	764677396	YGVSZQDMVLVCPB-IBGZPJMESA-N	412.534	3.775	10	20	HHCD	
C[C@H]1CN(C(C)(C)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C[C@@H](C)O1	764746009	WJEHNIQCEGFDGI-FGTMMUONSA-N	410.002	3.715	10	20	HHCD	
O=C(O)c1cc2c(c(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)c1)CCC2	766891185	ASUFMDBPZYRCHO-UHFFFAOYSA-N	402.255	3.687	10	20	HHCD	
COc1cc(Br)cc(CN(C)CC(=O)Nc2cccc(Cl)c2)c1O	768302528	HDKFIKDDOTWGGJ-UHFFFAOYSA-N	413.699	3.887	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2c(O)cccc2Cl)C(C)C)cc1	769349732	FDAPEPAHXYWZHW-KRWDZBQOSA-N	406.910	3.654	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)CC(F)(F)F)c(C)n1-c1ccc(Br)cc1	771194986	GGQJRNKEELJVHA-CYBMUJFWSA-N	419.241	3.900	10	20	HHCD	
C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773018242	YHWRFKGPOPPIBO-HUUCEWRRSA-N	403.523	3.829	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cccc(-c3nnc4n3CCCCC4)c2)c1O	774935163	MNEBZWNCGVHXLC-UHFFFAOYSA-N	409.446	3.906	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1OC	775666980	BOUFZTXJFODNAA-QGZVFWFLSA-N	413.518	3.752	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)CN[C@H](C)c3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1	775836015	XIIYSOBTQWNCHP-CEXWTWQISA-N	410.562	3.656	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnc(C(F)(F)F)nc2)c(C)n1-c1ccccc1	778445632	MYKVIOVQJIWLLP-UHFFFAOYSA-N	403.360	3.943	10	20	HHCD	
COCC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(C)o1	778630841	QRJKOTWFJVPNCE-FXAWDEMLSA-N	401.507	3.563	10	20	HHCD	
CC(=O)N1CCN(Cc2ccccc2NCc2cc(Cl)cc(Cl)c2O)CC1	780546844	DJIFCPDHKPFGCL-UHFFFAOYSA-N	408.329	3.975	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](O)c1ccccc1	788873857	FYUFPKCSTXNFBV-YADHBBJMSA-N	413.587	3.797	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1	788940381	RTHPQFYIHKXXRA-CTNGQTDRSA-N	411.521	3.741	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)cc1F	789937777	UXKVTOPCOYPQPJ-LJQANCHMSA-N	420.550	3.507	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc(-n2cccn2)c1	791247992	KGPXCLPOLSQAQS-UHFFFAOYSA-N	420.513	3.875	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c(O)c1	792999073	BNGABFIVALWMTH-SFHVURJKSA-N	421.538	3.674	10	20	HHCD	
C[C@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O	793560923	PELBSUKNCRAEML-JTQLQIEISA-N	418.393	3.574	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@]2(CCN(Cc3cccc(Br)c3O)C2)C1	793603596	CEXHYBWPKSWDDL-IBGZPJMESA-N	411.340	3.988	10	20	HHCD	
COC(=O)CCSCc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	797624003	WPKHZYSFKPQXLK-AWEZNQCLSA-N	418.515	3.647	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCCOc2ccc(I)cc2)c1	800984650	YBFGHPREECUDSE-GFCCVEGCSA-N	413.255	3.735	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)CCOC)cc1	801630236	SNASTELEZDMFLG-UHFFFAOYSA-N	420.531	3.647	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1ccccc1F	804127886	RWPOUJBHXDIDRL-UHFFFAOYSA-N	400.494	3.754	10	20	HHCD	
Cc1cc(C(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)c(C)n1-c1ccc(Cl)cc1	804437946	JWWNFTQADZTRPT-QRWLVFNGSA-N	401.938	3.683	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)C[C@H](C)c3ccccc3)cc2)CC1	805020789	ZAYGPJNYGOHYAN-FQEVSTJZSA-N	407.558	3.801	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1	806326747	UYUPDXCITHYFRU-KRWDZBQOSA-N	403.567	3.994	10	20	HHCD	
CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1	808537720	RSZYQJFGHBMUDG-UHFFFAOYSA-N	415.559	3.960	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCN(c4nccs4)CC3)cc2F)C[C@H](C)O1	812824811	MNJIDAIBZGRRGU-HOTGVXAUSA-N	404.555	3.654	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccc2c(c1)OCO2	814679970	UWRDPLGHXDCREE-UWJYYQICSA-N	410.514	3.793	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cn3c(Br)cnc3s2)cc1	815052329	LKKNXWHJMDSDTK-UHFFFAOYSA-N	407.337	3.935	10	20	HHCD	
C[C@H](NC(=O)[C@H](C)Cc1cnc2ccccc2n1)c1ccc(N2CCOCC2)cc1	815114261	LNGUBTJPEUREHT-MSOLQXFVSA-N	404.514	3.522	10	20	HHCD	
COCCOc1ccc(CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)nn1	816681686	DMQSNHFYHGZIFM-UHFFFAOYSA-N	422.529	3.963	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)cc1	912760159	INXHEZJCJMGQOS-MRXNPFEDSA-N	411.329	3.564	10	20	HHCD	
Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	914450001	UBHWYGGRBXJWPY-QHCPKHFHSA-N	424.589	3.934	10	20	HHCD	
CN(CCCCc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	918123339	UUMAFGIPHZNGNJ-JOCHJYFZSA-N	422.573	3.553	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1cc2c(s1)CCCC2	918230237	CZZXRMQXQYOHON-UHFFFAOYSA-N	413.587	3.835	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(N2CCOCC2)cc1	920870703	AOQDLRYPMLCMIC-QGZVFWFLSA-N	424.545	3.934	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C	921128463	PDAYFWAGBBFJIC-IBGZPJMESA-N	404.555	3.684	10	20	HHCD	
COC(=O)Cn1nc(C)c(CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1C	1319624718	WAQXCUUDMMMALN-UHFFFAOYSA-N	422.529	3.627	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)-c1ccccc1C2	1320519675	JSVAURCKKKINEK-NRFANRHFSA-N	417.461	3.573	10	20	HHCD	
Cc1cc(=O)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nn1-c1ccccc1	10963274	IPSXXLYBTQKUDN-UHFFFAOYSA-N	416.525	3.803	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc21	109461235	MFMWMINOZMKILA-UHFFFAOYSA-N	411.505	3.854	10	20	HHCD	
COc1ccc(N2CCN(c3cc(C(=O)NC4CC4)c4ccccc4n3)CC2)cc1F	301554986	IEFDBNIDOCGKEE-UHFFFAOYSA-N	420.488	3.601	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2ccc3c(c2)OCO3)n1	437017066	XXLWUZKGMXKKGI-UHFFFAOYSA-N	409.467	3.644	10	20	HHCD	
CCOc1cccc(CNCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1O	725846160	ZDOMHIRUQKFNIF-KRWDZBQOSA-N	418.559	3.501	10	20	HHCD	
CCN(C)Cc1cccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	726708361	AIQNEZRCGRPWPQ-UHFFFAOYSA-N	410.562	3.615	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	727170280	LCTLVLHVVZKYKK-SFHVURJKSA-N	400.906	3.833	10	20	HHCD	
Cn1nc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21	727466888	HYVQSIXHGOORQC-UHFFFAOYSA-N	404.436	3.719	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)NCCc3ccccc3)ccc21	728639965	WPYSQXSERGCQSS-LJQANCHMSA-N	422.525	3.809	10	20	HHCD	
Cc1nn(C)c2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)cc12	728839273	JLRZJVTUXDFKMX-UHFFFAOYSA-N	405.424	3.547	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1	728978757	MJFRUASCSJCMML-UHFFFAOYSA-N	409.873	3.790	10	20	HHCD	
C[C@H]1Cc2cc(S(=O)(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc2O1	730016493	FAFPLMODYWKDEU-KRWDZBQOSA-N	400.544	3.821	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1	731279161	VRWHVPGOOHFUEB-JOCHJYFZSA-N	411.546	3.696	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3c(nc2O)CCCC3)cc1	731621983	OYSOWEFFAKLEQR-FQEVSTJZSA-N	409.530	3.553	10	20	HHCD	
Cc1[nH]c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)c1C(=O)OC(C)C	731856705	QTDKJSVRBLQRDP-GOSISDBHSA-N	414.502	3.724	10	20	HHCD	
COC(=O)c1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1F	732422621	PZEMSVYWSBUOPB-MRXNPFEDSA-N	402.422	3.531	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(OC)c(Br)c3)CC2)cc1	732882016	LSDGBDHGBZUKSD-UHFFFAOYSA-N	420.307	3.820	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1	733126507	TVHRQRKUJUHYQZ-XQNSMLJCSA-N	414.509	3.577	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c1	734062191	CYQBWKGPENHEHL-UHFFFAOYSA-N	407.923	3.929	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nccc(C)n3)c2)cc1	734692671	AHCYBFTVXBELJX-UHFFFAOYSA-N	417.513	3.553	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)c2C)c1	735478579	FTISHUWCNAXRTN-UHFFFAOYSA-N	411.527	3.704	10	20	HHCD	
Cc1cccc(-c2ccc(CNC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)cc2)c1	737166778	RIWLNQWKWWQLDW-UHFFFAOYSA-N	419.500	3.800	10	20	HHCD	
COc1cccc(Oc2ncccc2CNC(=O)NCc2ccc(N(C)C)cc2)c1	741267027	PRDRSMBGHQPXEL-UHFFFAOYSA-N	406.486	3.948	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(N2CCNC2=O)c1	742590018	ULLSIJANDZINMA-UHFFFAOYSA-N	412.921	3.790	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(NC2CC2)nc1	742801714	RYZIMEABTSEGBL-MRXNPFEDSA-N	402.445	3.656	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)OCCO2	743055295	VKZAFIBLOQLPLM-UHFFFAOYSA-N	407.264	3.980	10	20	HHCD	
CCCN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745906387	ZTMMHSQQLJKKFE-ZWKOTPCHSA-N	424.536	3.630	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](CC(N)=O)C2)c(C)n1-c1cccc(Br)c1	746652376	ZZXCXTPIVAOJIK-OAHLLOKOSA-N	418.335	3.584	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3cccc(OC(F)(F)F)c3)CC2)cc1	747809784	PAGUKDXRNPJGHP-UHFFFAOYSA-N	408.420	3.875	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1	748014807	NOTOURIZMVVXAC-HXUWFJFHSA-N	423.340	3.912	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc(N2CCOCC2)cc1	748846005	GOSDITXNYWFVHU-MRXNPFEDSA-N	417.513	3.677	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccnc(Oc2ccccc2)c1	749266696	YRESYODSLOOBJM-UHFFFAOYSA-N	421.472	3.904	10	20	HHCD	
C[C@H](Cc1ccncc1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	749579542	JGEBUIIFNAPJQC-NVXWUHKLSA-N	404.461	3.582	10	20	HHCD	
CCOc1ccc(N2C[C@@H](C(=O)N(CC)Cc3ccc(N(C)C)cc3)CC2=O)cc1	752656618	RZRURLWOQOYYOH-IBGZPJMESA-N	409.530	3.553	10	20	HHCD	
Cn1cnc2cc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc21	753183025	MYJHAACPNAVJTF-HNNXBMFYSA-N	400.429	3.574	10	20	HHCD	
COc1ccc2c(c1)CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C2	753286462	MWIZNXVOOCFBQE-UNMCSNQZSA-N	410.514	3.649	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c(C)o1	754693963	LGGYQAFYLJOKHJ-UHFFFAOYSA-N	422.484	3.616	10	20	HHCD	
COc1ccc(CN(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)cc1	756335226	GQAVJJRBOBYGIB-HSZRJFAPSA-N	424.541	3.573	10	20	HHCD	
COc1cc(Br)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1OC	756687308	VATDVSZQRWCPFZ-JTQLQIEISA-N	411.252	3.931	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc(OC)c1OC	759220162	IICHCNGTRNMFNG-UHFFFAOYSA-N	424.419	3.694	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccc(F)cc1)C1CCCC1	759590813	XSMDUDXMSYBERD-ACMCKPEYSA-N	413.445	3.841	10	20	HHCD	
Cc1ccc(CCC2CCN(C(=O)COC(=O)/C=C/c3ccc(O)c(O)c3)CC2)cc1	759594547	GWNJVKJTLFFZMV-PKNBQFBNSA-N	423.509	3.834	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCc2c1cccc2C(F)(F)F	760097104	SXUOODAVBLKJCW-UHFFFAOYSA-N	405.420	3.814	10	20	HHCD	
C[C@@H](c1noc(-c2ccccc2)n1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761800992	SJPXEOBBQHJGLC-LBPRGKRZSA-N	412.833	3.621	10	20	HHCD	
CCc1ncc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)s1	763491529	MCFMZZLRADFUHX-UHFFFAOYSA-N	408.530	3.588	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(OC(F)F)c1	765252100	HVVFXLKXPHLUTH-MAUKXSAKSA-N	403.473	3.841	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)CN1Cc1ccccc1	765535112	NPUMLCOEKLFEHE-PBHICJAKSA-N	418.335	3.617	10	20	HHCD	
O=C(c1ccccc1)c1cc(Cl)ccc1NCc1nnnn1CC1CCOCC1	766117638	PNFOKNKOLGDMPB-UHFFFAOYSA-N	411.893	3.596	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c3)c2C)cc1C	768464573	RYEWNTSDZZLBRO-UHFFFAOYSA-N	424.413	3.572	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cn3ccc(-c4ccccc4)n3)cc2F)C[C@H](C)O1	768517375	QKMKOJKOMUFNDG-ROUUACIJSA-N	422.504	3.619	10	20	HHCD	
COc1cc(C)ccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769706380	RTNHMBCWMBIILN-UHFFFAOYSA-N	418.496	3.824	10	20	HHCD	
COc1cc(F)cc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	769733486	WXQRJOITWGHQJO-UHFFFAOYSA-N	423.435	3.904	10	20	HHCD	
CS(=O)(=O)Cc1ccccc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	770543606	KEIQLPDIVDGFDN-UHFFFAOYSA-N	403.504	3.742	10	20	HHCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	772798434	QZPLFWDSBHZNAT-FQEVSTJZSA-N	409.574	3.774	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(N(C)C)cc1	773244854	IITLLXZTJZZNLG-MOPGFXCFSA-N	410.562	3.534	10	20	HHCD	
CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1O	774888691	SBXXAXZLDBATIA-UHFFFAOYSA-N	407.854	3.813	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2sc(C)nc2C)nc1-c1ccccc1	775206481	ASHLXVIHQBPJCI-UHFFFAOYSA-N	408.530	3.643	10	20	HHCD	
CC[C@H](NCc1cccnc1N1CCN(C)CC1)c1cc(Br)ccc1O	775489745	RLRRKEBJBJSYDZ-SFHVURJKSA-N	419.367	3.542	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H]1Oc1ccccc1	776272122	NGXIWXYCFJQEIM-MQSCRBSSSA-N	405.498	3.844	10	20	HHCD	
CCOC(=O)CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)c1ccccc1	777439422	GKWGXTHRAQKJGE-SFHVURJKSA-N	400.494	3.789	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CC(C)(C)OC3(C)C)cc2F)C[C@@H](C)O1	778620385	LFIRIYLSNFPNSX-CLCXKQKWSA-N	407.530	3.585	10	20	HHCD	
CCN(CCOc1ccc(Br)cc1)C(=O)/C=C/c1ccc(O)c(O)c1	779523886	FWYULCCPAQQTDP-ONNFQVAWSA-N	406.276	3.801	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](c3ccccc3)C3CCOCC3)cc2)C1	782759327	PWDDKBVNXYICPU-UPVQGACJSA-N	407.558	3.646	10	20	HHCD	
CCN(CC)CCCN(CC)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	788313017	HSFZWLJJOSYPBY-KDURUIRLSA-N	422.589	3.703	10	20	HHCD	
CCCc1csc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1	789371445	ZWVPSIITLFRYOA-UHFFFAOYSA-N	400.548	3.683	10	20	HHCD	
CN(C)c1ccc(CNCc2c(F)ccc(I)c2F)cc1	792893873	NAJMPWCRPBWLEX-UHFFFAOYSA-N	402.226	3.925	10	20	HHCD	
Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	793780219	CIQQZKTXIZONFT-HXUWFJFHSA-N	423.557	3.527	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)c(O)c1	797389311	ADTXHWKUQKXLDD-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
CCCNC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Cl	797617573	FQUXEOJIYWDMDC-GFCCVEGCSA-N	405.882	3.644	10	20	HHCD	
C/C(=C/Cl)CSCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	797809754	LENBIXOBEUFUMC-ROWADEJNSA-N	400.947	3.931	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNCc3ccc(OCC(N)=O)cc3)cc2Cl)C1	800277488	XEVYSHJNRIXMIE-MRXNPFEDSA-N	401.938	3.730	10	20	HHCD	
Cc1cc([C@@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)nn1C	800488132	OMSXWXKLKIGRHK-OXQOHEQNSA-N	401.555	3.711	10	20	HHCD	
Cc1cc(C(=O)NCC2(OCCO)CCOCC2)c(C)n1-c1cccc(C(C)C)c1	800669954	XXVKKCDQNGYWJX-UHFFFAOYSA-N	414.546	3.505	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(NC(=O)C(N)=O)c2)c(C)n1-c1cccc(C(C)C)c1	801513023	ABDZGFRSBKATQG-UHFFFAOYSA-N	418.497	3.894	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1-n1ccc(C)n1	802609561	DCTUABBWEKRBTP-UHFFFAOYSA-N	406.486	3.654	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3nnnc3Cc3ccccn3)c2C)c1	804908031	CMMFGVAIKPPVTK-UHFFFAOYSA-N	400.486	3.566	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1nnc(CC(F)(F)F)s1	806358165	SEGYZBILBKLGQU-UHFFFAOYSA-N	401.197	3.977	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1(c2cccs2)CCCCC1	807101269	VXIVWPDBFYVZTC-UHFFFAOYSA-N	413.587	3.757	10	20	HHCD	
CCOc1ccc([C@@H](O)C2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3O)CC2)cc1	812776906	RTCDDTOGFNUJDL-HXUWFJFHSA-N	416.474	3.653	10	20	HHCD	
CCn1nncc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	815526403	RKKRKVVVNRXRJJ-UHFFFAOYSA-N	404.829	3.538	10	20	HHCD	
COc1cc(CNc2ccc(S(=O)(=O)NC(C)C)cc2)c(O)c(C(C)(C)C)c1	863990235	OXUFENCXGAOKLS-UHFFFAOYSA-N	406.548	3.997	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2SCC(N)=O)cc1	915352652	QRDWCJWYPOFGKM-UHFFFAOYSA-N	400.548	3.774	10	20	HHCD	
CCC(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	916381802	UKPDISFWFFUHAE-FQEVSTJZSA-N	411.502	3.632	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc4ccccc34)CC2)cc1	918460843	IJXFHXMCGWSYSC-UHFFFAOYSA-N	403.482	3.526	10	20	HHCD	
COCCOc1ccccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	920062287	SKHAVKSFLCIRTR-GOSISDBHSA-N	400.475	3.631	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1O	1116687818	BDOVGDFGGAQJOZ-UHFFFAOYSA-N	412.486	3.624	10	20	HHCD	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2cccc(Br)c2O)n1	1116892529	SJCDIICQAYGDHN-UHFFFAOYSA-N	422.279	3.827	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1ccc(Br)cc1F	1318575379	BMWBEQULQYDFDZ-UHFFFAOYSA-N	415.328	3.582	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(Br)cc3OC)CC2)cc1	1319624501	MZAVTBWCVQWKHM-UHFFFAOYSA-N	419.319	3.819	10	20	HHCD	
COC(=O)[C@@H](CNC(=O)c1cc(C)n(-c2ccccc2C)c1C)Cc1ccncc1	1322666851	VKBFDUPTSYJLMB-HXUWFJFHSA-N	405.498	3.559	10	20	HHCD	
c1cc(N2CCCC2)ccc1CNc1ccc2nc(CCN3CCOCC3)[nH]c2c1	1324968521	UFEKEHOPWOHYCA-UHFFFAOYSA-N	405.546	3.650	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl	13313351	SGQGKDUXLSNYMK-UHFFFAOYSA-N	422.934	3.849	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1	116731667	DBQFKINJCZEIEK-OAQYLSRUSA-N	424.541	3.839	10	20	HHCD	
Cc1cc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c(C)n1-c1ccc(C(C)C)cc1	117739913	DPNIINRYQZLAPZ-UHFFFAOYSA-N	419.529	3.945	10	20	HHCD	
CC(C)(C)OC(=O)c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1	236809985	KYEHQLGDMGKBEJ-UHFFFAOYSA-N	400.494	3.907	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)COCC3=CC[C@H]4C[C@H]3C4(C)C)CC2)cc1	248125996	HRNUPMRHNDYXAB-ODGPQVTHSA-N	414.590	3.577	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(NCC2CC2)ncn1	301835221	UCRDOGFWXKQXPF-UHFFFAOYSA-N	407.440	3.766	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1	437023473	IFVRXUHYKAXPAU-UHFFFAOYSA-N	409.530	3.596	10	20	HHCD	
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)NCc3c(C)c4ccccc4n3C)C2)n1	472231408	JJFVDYXXKWQUHR-GOSISDBHSA-N	419.529	3.750	10	20	HHCD	
Cc1[nH]c2ccccc2c1C1=CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1	564561841	NNHSFTRXPWEYFL-SFHVURJKSA-N	403.530	3.769	10	20	HHCD	
Cc1cc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)ccc1C(F)(F)F	685593349	YLMRDGGRKNZBIH-UHFFFAOYSA-N	400.422	3.668	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](CNC(=O)C(C)C)C3)c2C)cc1	726170008	URCDRJNIIISVMK-IBGZPJMESA-N	411.546	3.727	10	20	HHCD	
COc1ccc(SCCC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726561474	ZJKLBCMPRKWHAK-UHFFFAOYSA-N	400.544	3.971	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C1(c2cccc(C(F)(F)F)c2)CC1	727374686	JGOTWIMQYQTFSK-UHFFFAOYSA-N	404.432	3.890	10	20	HHCD	
COc1cccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1O	727762602	QNUYSGKUZOKEEL-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C1	728745120	NMJXHGUZJMFMBQ-QUCCMNQESA-N	400.567	3.513	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NCc3nccn3CC(F)(F)F)CC2)cc1	729679686	OMZMJEIKFPQKCM-UHFFFAOYSA-N	404.383	3.805	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1	732477225	JGSJTIDKFRLPJL-UHFFFAOYSA-N	410.857	3.880	10	20	HHCD	
CCOCCCNC(=O)c1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1	734647686	ZOXYFVMKQKMXAZ-UHFFFAOYSA-N	412.534	3.539	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCCNC(=O)c3occc3C)c2C)cc1	737977036	NQXHQNJUTSKSMK-UHFFFAOYSA-N	409.486	3.554	10	20	HHCD	
CC(C)(C)c1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1[N+](=O)[O-]	739768941	XJTXQPLEFYLXDT-UHFFFAOYSA-N	424.501	3.846	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCCN1C(=O)COc2ccccc21	741738506	XLIAEVAYHTVMCI-UHFFFAOYSA-N	409.511	3.701	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN(C)C[C@@H](C)O)sc(C)c1-c1ccccc1	741807120	UZQVSMNGHSOWKD-CQSZACIVSA-N	404.532	3.541	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)cc(F)c1	742333977	BSKMXHWMINAGRA-CQSZACIVSA-N	418.412	3.514	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1Cc2cc(F)ccc2O1	742799374	KCBCXYLSQXGYRP-BEFAXECRSA-N	406.404	3.516	10	20	HHCD	
CCc1noc2ncc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12	742802031	VWCJMAJMEPQOCC-CQSZACIVSA-N	416.428	3.785	10	20	HHCD	
CS[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	743554311	ATTFEVWWRFNUFS-ZBFHGGJFSA-N	417.497	3.625	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)c3ccc(-n4cccn4)cc3)CC2)cc1	743710576	RTRIGSIVMXIKHU-GOSISDBHSA-N	419.529	3.910	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(N2CCCC2)nc1	743809042	LRCUNKMZOSYXTH-UHFFFAOYSA-N	404.308	3.812	10	20	HHCD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	744011128	UWIYRWSMKFAHOO-OCCSQVGLSA-N	420.351	3.890	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1F	746316091	MWZDVFWCQLEMDL-GHTZIAJQSA-N	403.473	3.829	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H](OC1CCOCC1)c1ccccc1	746747258	GEFUYFFUVGVUQL-NLFFAJNJSA-N	410.558	3.938	10	20	HHCD	
O=C1CCCN1Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	751290740	YDWLWHGQIPBQGN-UHFFFAOYSA-N	404.466	3.950	10	20	HHCD	
O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1c(-c2ccccn2)nc2ccccn12	751301106	AGNQRIGCVBSULX-UHFFFAOYSA-N	412.409	3.898	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(N2CCOCC2)cc1	754534204	CULGFLDSZWSLJF-UHFFFAOYSA-N	412.445	3.551	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2cccc([N+](=O)[O-])c2)cc1	755258631	BFCDSXLTIKXWSA-QFIPXVFZSA-N	411.502	3.801	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3ccc(F)cc3O)CC2)cc1	756495523	KNMDWHPJNQNCKC-HNNXBMFYSA-N	406.523	3.645	10	20	HHCD	
CN(Cc1noc(Cc2ccc(Br)cc2)n1)c1ccc2c(c1)OCO2	756654508	VDQSPDXRKYCCHF-UHFFFAOYSA-N	402.248	3.788	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2Br)cc1	757832520	YVMLTNUUQGVQQG-UHFFFAOYSA-N	422.298	3.689	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2F)C[C@H](C)O1	758339108	QQCLSHJPXDNPCG-STQMWFEESA-N	420.416	3.808	10	20	HHCD	
Cc1nc(C)n(-c2ccccc2NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1	759973342	FNGIFLWJWWUSOL-MRXNPFEDSA-N	420.517	3.603	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1	761560881	SBHMHRUNJZRNBZ-UHFFFAOYSA-N	400.243	3.788	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c(C)n1-c1ccccn1	763922203	WMYPTAZUQBNZEW-UHFFFAOYSA-N	417.465	3.759	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(N2CCOCC2)c(F)c1	765852342	VMGMIUOIVKUKPF-MAUKXSAKSA-N	405.464	3.870	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](c4nccn4C)C3)c2C)cc1	767118378	VWTGWFQGZDKRCS-LJQANCHMSA-N	406.530	3.899	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC2CCC(O)(c3cccnc3)CC2)C2CC2)cc1	771356242	AYJAAVQHXNFXAC-UHFFFAOYSA-N	408.546	3.652	10	20	HHCD	
C[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(N2CCCCC2)c(F)c1	773043292	YJDHJJAMPIEAAP-INIZCTEOSA-N	402.535	3.997	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c2cnn(Cc3cccs3)c2n1	773740391	LPFFHVRQNVIFTD-ZDUSSCGKSA-N	422.510	3.622	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21	773740480	PGUZHXVCGIKDSE-QGZVFWFLSA-N	415.493	3.786	10	20	HHCD	
Cc1nc(Br)ccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	774065124	XKNKYLOPERCCAW-ZDUSSCGKSA-N	419.323	3.872	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(CNC(=O)OC(C)(C)C)cc2)c1O	775086650	WEEUMFRCPLBQSR-UHFFFAOYSA-N	403.435	3.946	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1	775394308	KWMKITOYVUYYTR-IRFCIJBXSA-N	409.534	3.711	10	20	HHCD	
CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	775420046	HIGWLJOWFRWSAN-IBGZPJMESA-N	416.610	3.992	10	20	HHCD	
CC[C@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1cc(Cl)ccc1O	775497340	QAGKWVHFTQXZMQ-KRWDZBQOSA-N	406.910	3.762	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	777259614	YMCBNWLFNBJCHI-GOSISDBHSA-N	416.566	3.685	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc(Br)ccc1OC(F)F	779481588	NZKMHNFWDRJMNZ-QHHAFSJGSA-N	414.202	3.791	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccnn1Cc1ccc(Br)cc1	779513226	GDZVLAKFGYYWKS-YWEYNIOJSA-N	414.259	3.757	10	20	HHCD	
C[C@H](NC(=O)N1CCC(O)(c2c(F)cccc2F)CC1)c1ccc(N(C)C)cc1	779660539	IQIOYJUEQHIZPI-HNNXBMFYSA-N	403.473	3.785	10	20	HHCD	
Cc1cccc(F)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782423738	IBJUBNVYNUDEJO-UHFFFAOYSA-N	409.461	3.961	10	20	HHCD	
COc1c(F)cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1F	784107236	RAMHYTCPFGIDQO-UHFFFAOYSA-N	403.429	3.718	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	788520607	IELLXJMXJWSCGG-ZJOUEHCJSA-N	411.498	3.721	10	20	HHCD	
C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3c(O)ccc(Cl)c3F)cc2)C1=O	790606729	AQLDZIKLCNMTKO-OAQYLSRUSA-N	417.868	3.699	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C\c1ccc2c(c1)OCO2	791251060	XQBBEJKGERQLFU-YWEYNIOJSA-N	424.497	3.817	10	20	HHCD	
CCC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@H](O)c1ccccc1	792067232	URVYUOCAJSGIBK-XZOQPEGZSA-N	411.546	3.866	10	20	HHCD	
COC(=O)C(C)(C)C(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F	795213678	VSLVAXANWDSISJ-UHFFFAOYSA-N	400.422	3.973	10	20	HHCD	
CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1	795546203	GLMLOBNEMZCIBB-UHFFFAOYSA-N	402.497	3.717	10	20	HHCD	
C[C@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1O	797998339	AKJGPKXZXQDERZ-NSHDSACASA-N	421.321	3.809	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCN(CC(F)(F)F)CC3)cc2F)C[C@H](C)O1	800884950	OGIIUCKQXZXAOU-GJZGRUSLSA-N	403.464	3.556	10	20	HHCD	
C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	803576981	RWRJNPHZLPGBMT-LJQANCHMSA-N	405.542	3.552	10	20	HHCD	
Cc1cccc(C(C)(C)CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	803701738	VGATXOCDBVBXPR-UHFFFAOYSA-N	407.558	3.646	10	20	HHCD	
O=C(NCc1cccc(Cn2cccn2)c1)NCc1cc(Cl)cc(Cl)c1O	804974304	GCUGTWVOVPCTLH-UHFFFAOYSA-N	405.285	3.943	10	20	HHCD	
CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805026241	HJKRNLVSWGMUME-NHCUHLMSSA-N	417.619	3.720	10	20	HHCD	
CC(C)Oc1ccc([C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)N(C)C)cc1	807591686	IEXUGKKJFOTECN-QHCPKHFHSA-N	412.578	3.984	10	20	HHCD	
O=C(N[C@@H]1CCc2ccccc2OC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	807699070	FRUYMBSXPDIROO-HXUWFJFHSA-N	422.525	3.564	10	20	HHCD	
CCOC(=O)c1ccn(-c2cccc(CNCc3c(O)ccc(Cl)c3F)c2)n1	809762628	VIIIQNWYYFJYRF-UHFFFAOYSA-N	403.841	3.837	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2nn(C)cc2Br)cc1	814462598	FPUKFTHDHRNVJC-UHFFFAOYSA-N	417.307	3.684	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N[C@H](C)c3ccccc3Cl)CC2)cc1	917089913	OOFYCLSWSSQVQZ-QGZVFWFLSA-N	401.938	3.738	10	20	HHCD	
Cc1cccc(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C	917712159	VHPFBBLAMXIIST-IAGOWNOFSA-N	400.494	3.751	10	20	HHCD	
COc1ccccc1[C@@H](CNCc1ccc(N2CCN(C)CC2)c(F)c1)OC(C)C	1321283627	JNJKBHVJWKJYGK-XMMPIXPASA-N	415.553	3.842	10	20	HHCD	
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C	4246926	KUBDQHNLROZNDI-HAHDFKILSA-N	416.477	3.997	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nncn1-c1cccc(Cl)c1	7020072	XFXKUAMLAAJFFN-UHFFFAOYSA-N	415.950	3.737	10	20	HHCD	
C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)NC(C)(C)C	15688186	LSVHMCLKNHMITA-LLVKDONJSA-N	413.857	3.575	10	20	HHCD	
C[C@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1	16387041	UPKVREKWFAQQOG-FQEVSTJZSA-N	417.553	3.986	10	20	HHCD	
O=C(NC1CC1)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1	23617657	FPKYNBIWEKPRQA-UHFFFAOYSA-N	403.442	3.657	10	20	HHCD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	24192652	AAOJPYMYXUGPNU-KRWDZBQOSA-N	402.922	3.911	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)NCCc3ccccc3C)sc2n1	28776033	IJACDSNQALPWSJ-OAHLLOKOSA-N	411.527	3.708	10	20	HHCD	
COc1ccc(CN2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1	28977780	FWCZWFPQIRSNHE-CXUHLZMHSA-N	402.453	3.710	10	20	HHCD	
CCn1c(=O)c2ccccc2n2c(CSc3ncc(-c4ccccc4)n3C)nnc12	29450303	QDZZAQGYPGKKTH-UHFFFAOYSA-N	416.510	3.757	10	20	HHCD	
Cc1cc(NC(=O)CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)no1	230016031	KROMIWMJXJVOMV-YVMONPNESA-N	405.454	3.913	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1	236928040	VINJIPUMRBWIKE-UHFFFAOYSA-N	403.592	3.852	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ncc(Cc3ccccc3)s2)n(C)c2ccccc12	472815256	ZRWBAVILKNWNEM-UHFFFAOYSA-N	418.522	3.789	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N(C)C[C@H](C)c3ccccc3)CC2)cc1	727598715	MNBLXKAIODWCDQ-NRFANRHFSA-N	424.589	3.652	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(OCc2ccncc2)cc1	729571558	YYXCQZYACWQKHV-UHFFFAOYSA-N	418.497	3.819	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)o1	730933257	ZWJPJIRAPFBPNF-UHFFFAOYSA-N	404.878	3.705	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)cc2)CC1	731049028	XCGZMGXWPUGZCB-SFHVURJKSA-N	412.500	3.606	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H](CC(=O)N(C)C)c3ccccc3)cc2)CC1	731120335	VNZUJUZHFCRQJF-HSZRJFAPSA-N	422.573	3.942	10	20	HHCD	
C[C@@H](NC(C)(C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1	733657744	NBBGQQULPYROAN-HXUWFJFHSA-N	424.589	3.794	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(Br)cn2)SC1=S	733813405	PHLTWEVBRWBRAE-NTUHNPAUSA-N	414.394	3.633	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1	734687312	UPMQOGKORUKOFT-FQEVSTJZSA-N	418.582	3.992	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)CCc3ccc(C)c(Cl)c3)CC2)cc1	742921659	XAJNGXHUNAZJQS-UHFFFAOYSA-N	415.965	3.528	10	20	HHCD	
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1	743553212	HIAXGQIMYVTFGJ-OAHLLOKOSA-N	420.554	3.892	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	743809350	UIQVTSPGTULUTI-OAHLLOKOSA-N	417.303	3.556	10	20	HHCD	
COc1cccc(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)c1O	745616091	SXIJSEAYAZNBOV-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
COCCN(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1	746475494	UYKUBWRPLRMSLG-GOSISDBHSA-N	400.519	3.651	10	20	HHCD	
Cc1sc2nc(CS[C@H](C)C(=O)NCc3ccccc3O)nc(O)c2c1C	748355194	VINPMEKQXAOPQF-GFCCVEGCSA-N	403.529	3.657	10	20	HHCD	
Cc1nn(C)c2ncc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc12	751137744	WKQSWLGSFIUNAM-UHFFFAOYSA-N	414.531	3.506	10	20	HHCD	
CCCNC(=O)Nc1ccc(CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	751349422	IAKLUVCSOXXVND-UHFFFAOYSA-N	424.545	3.508	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)n[nH]2)o1	751405194	JAAYFQZZWUSFSH-LJQANCHMSA-N	408.502	3.866	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1	756097703	ADKAFDGKEOBTJO-QMMMGPOBSA-N	401.221	3.663	10	20	HHCD	
COc1cc(N2CCN(C(=O)C3(Cc4ccccc4)CCC3)CC2)cc(OC)c1OC	759240591	ZPGVPSJKKVDYDV-UHFFFAOYSA-N	424.541	3.774	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnc(S)o2)cc1	759521869	GOTINCHQHGIURA-UHFFFAOYSA-N	412.540	3.509	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1	761225696	HCWFXCUQTDJLKL-JOCHJYFZSA-N	419.529	3.538	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCOc2ncc(Cl)cc2Cl)c1	762056968	PUSJBXPWOPDKBN-SNVBAGLBSA-N	400.262	3.542	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1	764880775	ZUOKGYYAIBLBQB-UHFFFAOYSA-N	422.554	3.833	10	20	HHCD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1O	765751950	BHPVFPKZSXQAPP-GOSISDBHSA-N	415.328	3.854	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(Br)c2O)c2cnn(C(C)C)c2n1	765755996	KHSPSLCAEBCDQI-UHFFFAOYSA-N	403.280	3.719	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(Br)nc3)CC2)cc1	766173201	MFAYCVCHRSCUKT-UHFFFAOYSA-N	405.296	3.597	10	20	HHCD	
Cc1ccc(F)cc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769596925	AVARJOJSYLJARZ-UHFFFAOYSA-N	406.460	3.954	10	20	HHCD	
O=C(CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Cl)cn1	769614060	RHASYBBEQWXICM-KRWDZBQOSA-N	402.878	3.611	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(COC(C)(C)C)on3)cc2F)C[C@H](C)O1	769866221	VPCCIWOJFXONNN-GJZGRUSLSA-N	419.497	3.672	10	20	HHCD	
Cc1noc(Cl)c1CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771058786	NYUFNCDVKIZRAT-OAHLLOKOSA-N	412.317	3.709	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773993943	LLNKXBKPMMDUCI-VXGBXAGGSA-N	424.364	3.572	10	20	HHCD	
CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1	774906517	BXXLBANWOTYSSJ-SFHVURJKSA-N	421.444	3.856	10	20	HHCD	
COc1cccc(Oc2ncccc2CNCc2ccc([N+](=O)[O-])c(OC)c2O)c1	775021976	BORYPEQYMRYDOB-UHFFFAOYSA-N	411.414	3.795	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(OC)cc1	775218881	LGTMSKOBEYEOFX-HSZRJFAPSA-N	423.557	3.911	10	20	HHCD	
Cc1csc([C@@](O)(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C(F)(F)F)n1	775411919	RUHIKMVCGRCGTG-SJCJKPOMSA-N	401.454	3.535	10	20	HHCD	
COC(=O)C[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccccn1	777348473	STMGZMCXRDHXOO-XMMPIXPASA-N	421.497	3.706	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H](OCC2CC2)C1	779555014	SHLJUGKUWQZPRP-FQEVSTJZSA-N	423.504	3.857	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cn(C)nc2-c2cnn(C)c2)cc1)C1CCCCC1	780498612	PHTVTAHZKGVVLV-UHFFFAOYSA-N	406.534	3.520	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)cc(Br)c3)c2)CC1	781045227	FOXHCXXCKVNARG-UHFFFAOYSA-N	416.319	3.678	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)NCCCSc2nccs2)C1	782980633	ZZMIGRZUPIDKOT-UONOGXRCSA-N	414.597	3.760	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1Br	783318555	YGROVDQPBYDNIC-UHFFFAOYSA-N	418.335	3.891	10	20	HHCD	
Cc1ccc(Cn2nccc2NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)o1	784059218	GYQCAIWWRNGXQD-UHFFFAOYSA-N	421.501	3.719	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2ccc(OC)c(OC)c2Br)cc1	784568734	ZRNNYJIPNBSLPK-UHFFFAOYSA-N	424.291	3.655	10	20	HHCD	
Cc1occc1-c1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)no1	786213251	ABTMZRPFTSURGK-UHFFFAOYSA-N	400.410	3.540	10	20	HHCD	
Cc1ccsc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	786802366	YIENMMXPWQDTAR-UHFFFAOYSA-N	411.527	3.561	10	20	HHCD	
COC[C@@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1ccc(Cl)cc1	787376657	LYEOMAYRXUQEIR-LJQANCHMSA-N	421.900	3.707	10	20	HHCD	
CCOc1ccc(O)c(CNCC2(COC)CCN(C(=O)OC(C)(C)C)CC2)c1	790652367	LHRLXXZKNUPDKJ-UHFFFAOYSA-N	408.539	3.544	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C	791248646	QGWIQUNKIFBDDV-UHFFFAOYSA-N	413.474	3.905	10	20	HHCD	
CO[C@]1(C)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	793062302	RDHPZFPJUXONSP-IIBYNOLFSA-N	411.493	3.857	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cnn(CCO)c3-c3ccccc3)cc2)CC1	793464834	FDOVQAPRBOTTQT-UHFFFAOYSA-N	418.541	3.709	10	20	HHCD	
COc1ccc(CNC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)c(O)c1	794383224	JWCSHZABYQLUQO-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCCO[C@@H]3CCOC3)cc2Cl)C1	799947794	OFUYAEPJKRSTAE-SJLPKXTDSA-N	409.958	3.571	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccccc2S[C@@H](C)C(N)=O)cc1F	801153646	OCYVPVFCZGQNLA-AWEZNQCLSA-N	403.523	3.568	10	20	HHCD	
O=C(NCCOc1ncccc1C(F)(F)F)NCc1cc(Cl)cc(Cl)c1O	805222837	QGDHFBHGWNCOTC-UHFFFAOYSA-N	424.206	3.991	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1O	806131017	GNIPMLZQUIELAS-OXJNMPFZSA-N	401.938	3.988	10	20	HHCD	
CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807288967	FGIYWVAPGUJLKR-UHFFFAOYSA-N	411.933	3.770	10	20	HHCD	
CCS[C@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	809236054	WKQVCJJEKJULHD-QUCCMNQESA-N	405.608	3.670	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(N3CCNC3=O)cc2)c(C)n1-c1ccccc1	812906653	AHLJSSZIHFDHFX-UHFFFAOYSA-N	417.465	3.663	10	20	HHCD	
O=C(C1CCC(OC[C@@H]2CCCO2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1	815860613	TWPWWHWQBVNBCZ-HRAFCDAUSA-N	417.546	3.654	10	20	HHCD	
Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc3ccccc3c2O)CC1	816482451	GPLBDDGFHVQOOQ-UHFFFAOYSA-N	403.526	3.919	10	20	HHCD	
O=S(=O)(NCC(F)(F)F)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1	863995417	SXRKSPWVVJZJJR-UHFFFAOYSA-N	412.792	3.637	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCN(C)C(=O)C2)c(C)n1-c1ccc(C(C)C)cc1	912704681	SWBYHGLBQAWDSX-LJQANCHMSA-N	410.514	3.812	10	20	HHCD	
COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)cc1	913514778	FQUFHJYUHLJDJI-LICLKQGHSA-N	412.492	3.837	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN(C)C3CCCCCC3)cc2F)C[C@H](C)O1	916994837	CXDCXRYHFMSPBM-ROUUACIJSA-N	405.558	3.710	10	20	HHCD	
COc1ccc(Br)c(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	918231540	NAQCRNQJMOBVRA-UHFFFAOYSA-N	406.324	3.865	10	20	HHCD	
O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCC(CO)CC2)cc1	919968745	UXMYJPRLRUPSNZ-UHFFFAOYSA-N	422.447	3.609	10	20	HHCD	
CNC(=O)[C@@H]1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c2ccccc2O1	1317736365	VRZUSUKALWTVSL-NRFANRHFSA-N	423.900	3.901	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2c[nH]c(Br)c2)cc1	1318615912	XUUJGYBXZUTZDG-QGZVFWFLSA-N	406.324	3.665	10	20	HHCD	
CCN1CCN(C(=O)Cc2ccc(NCc3ccc(N4CCCC4)cc3)cc2)CC1	1319841642	PVDVZSDIQWRPPB-UHFFFAOYSA-N	406.574	3.606	10	20	HHCD	
OCC1CCN(c2ccc(CNc3ncnc4c3cnn4-c3ccccc3)cc2)CC1	52446627	NCVZSBRCHCMRED-UHFFFAOYSA-N	414.513	3.636	10	20	HHCD	
CCOc1cccc2c1OCC(C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)=C2	145693194	BIXMWWCNNCBMFD-KRWDZBQOSA-N	408.498	3.575	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc(N2CCOCC2)cc1	148478189	UHLANWMPPHQVJW-LJQANCHMSA-N	417.509	3.988	10	20	HHCD	
O=C1/C(=C\c2cnn(Cc3ccccc3)c2)SC(=S)N1CCc1ccccn1	726197539	UFYWPOCVMHCYOW-XDHOZWIPSA-N	406.536	3.770	10	20	HHCD	
CCc1cccc2c1OCC[C@@H]2NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	726247450	UBAVRIGUTWTAEX-VGSWGCGISA-N	409.530	3.970	10	20	HHCD	
CN(c1ccc(CNC(=O)NCCc2cccc(C(N)=O)c2)cc1)C1CCCCC1	726615083	XKRICDLPIMWOOZ-UHFFFAOYSA-N	408.546	3.596	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)N2CCCC2)c1	729044223	JQNNGAPZKYNEFY-HRAATJIYSA-N	413.518	3.607	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc2)CC1	731016876	SICOZWAYTPJEAW-UHFFFAOYSA-N	404.514	3.722	10	20	HHCD	
CCCCN(C)C(=O)C1CCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1	731363282	BURIULSJAAXSIC-UHFFFAOYSA-N	420.573	3.852	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)OCC(=O)NCC(=O)c2cccs2)c1	731718398	MUIIHQKAGNCNBP-UHFFFAOYSA-N	410.495	3.620	10	20	HHCD	
CSc1nc(C)c(CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)n1	731858863	PGNMVOSICOZLIG-SFHVURJKSA-N	415.559	3.661	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCCC3)cc2)CC1	732767212	VYDKUWVKYYZFOO-GOTSBHOMSA-N	411.590	3.968	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@@H]1c1c(F)cccc1F	734867503	OOZKMENIEQULGE-RXVVDRJESA-N	415.484	3.529	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)Oc3ccc(SC)cc3)CC2)cc1	740657938	KSMJWUFZMYNTEA-INIZCTEOSA-N	400.544	3.970	10	20	HHCD	
Cc1ccccc1C1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCOCC1	740909862	RPRVYBFDKAJAQN-UHFFFAOYSA-N	405.542	3.919	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(NC(=O)NC2CC2)cc1	740919398	QTQOHUPKABZWQK-QGZVFWFLSA-N	419.529	3.907	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	742468544	JCWBBDDHWQZNIW-SFHVURJKSA-N	411.933	4.000	10	20	HHCD	
CCOc1ccccc1N1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CC1=O	742483545	QVKKUXZZRGJFAN-HXUWFJFHSA-N	421.541	3.745	10	20	HHCD	
Cc1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1	742752266	FQAPIGBIAHSQSQ-MRXNPFEDSA-N	404.536	3.513	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc([N+](=O)[O-])c1	742805143	HAGTXZPAQWGBKR-HNNXBMFYSA-N	405.401	3.903	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1nc(NCc2ccco2)ncc1Cl	743717714	XDTYVQUYCNIHQC-UHFFFAOYSA-N	412.877	3.850	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2c(nc1O)CCCC2	743807914	KXCHZEGONCQXJK-UHFFFAOYSA-N	405.292	3.796	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Oc2ccccn2)c1	743888710	BMABADNWBMVXBP-UHFFFAOYSA-N	404.470	3.537	10	20	HHCD	
COCCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	746475710	XAUIAKXSDJLRJS-HNNXBMFYSA-N	406.910	3.687	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)cc1	746837253	XOIPNVGYLBPYOK-GOSISDBHSA-N	415.481	3.754	10	20	HHCD	
Cc1nnc(-c2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)o1	747558979	JHUQTZGQIFCXFH-UHFFFAOYSA-N	409.515	3.920	10	20	HHCD	
COc1ccccc1NC(=O)CN1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1	749796067	GFGXEKMWORELSI-UHFFFAOYSA-N	411.546	3.589	10	20	HHCD	
C[C@@H](Oc1cccc(F)c1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	751403787	FPXRIPNQFJRRHD-VGOFRKELSA-N	400.494	3.867	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cc(F)c(F)cc1F	751466261	MGTZNRYDGAQLSR-UHFFFAOYSA-N	424.238	3.783	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1	753789049	RXICJVTUEKEOFU-SNVBAGLBSA-N	409.236	3.871	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C3CC(F)(F)C3)c2C)cc1	754127397	IRSBPGAYHJDKSH-UHFFFAOYSA-N	405.397	3.652	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)cc1	755082232	LRSAIEUMIHKEHC-KRWDZBQOSA-N	420.550	3.740	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc2c1O[C@H](C)C2	756269543	QCFXCRFDEMVTIB-VGOFRKELSA-N	424.541	3.906	10	20	HHCD	
C[C@@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1cc(Br)ccc1O	756535549	NKXZZANPDSCOIS-OXQOHEQNSA-N	418.379	3.794	10	20	HHCD	
C[C@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)c(F)cc1O	756604190	MENISXIUQNWBEN-XOBRGWDASA-N	423.326	3.581	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1)C1CCCCC1	756930092	VEYJFMNDRJHYGD-FGZHOGPDSA-N	401.551	3.545	10	20	HHCD	
CC(=O)N1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c2ccccc21	757790906	MAWRMSXBKAAGSP-QFIPXVFZSA-N	406.530	3.925	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@H](CCc4ccccc4)C3)CC2)cc1	758451025	XGZPVTQZDPOASA-XMMPIXPASA-N	423.557	3.707	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1nc(C(F)(F)F)cs1	761506787	JHBKBRDVRGNNPU-UHFFFAOYSA-N	419.812	3.528	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCc1c(O)ccc2c1CCCC2	764402692	XSCUFPQOQJHSHJ-LJQANCHMSA-N	414.546	3.924	10	20	HHCD	
CCC(CC)C(=O)N1CCC(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	765141140	HQCRMJUCDRZVQU-QGZVFWFLSA-N	405.558	3.740	10	20	HHCD	
CCC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc([N+](=O)[O-])c1	765256068	SJPBFJQRKXERMW-UGKGYDQZSA-N	410.518	3.928	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H](c1ccccc1)[C@@H]1CCCO1	765478480	DMTXTYUILHSUPF-IRXDYDNUSA-N	405.292	3.874	10	20	HHCD	
CC(C)(CO)[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1ccccc1	765532365	FVMNRLZUMBEEHG-INIZCTEOSA-N	421.335	3.756	10	20	HHCD	
COc1cc([C@H](C)NCCCSc2nccs2)ccc1S(=O)(=O)C(F)F	766073595	QREJWQXNNBBCGA-NSHDSACASA-N	422.544	3.981	10	20	HHCD	
C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1c(O)ccc2c1CCCC2	769560442	CMWHUEFUYFPISW-CQSZACIVSA-N	416.518	3.787	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1	769560445	DEYNXEAKRGQBRN-UHFFFAOYSA-N	419.930	3.547	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cn(C)c2ccccc12	773215829	UXVZIULIEGQFHP-INIZCTEOSA-N	409.505	3.698	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)Cc2ccc(F)c(Br)c2)c1O	775037148	LKFRNEVDIIPLDD-JTQLQIEISA-N	413.243	3.931	10	20	HHCD	
CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O	775364160	OVDIELWOKULASQ-STQMWFEESA-N	406.504	3.625	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)c1	776039699	XYLXMSYQRREVMV-SNVBAGLBSA-N	414.430	3.625	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(Br)ncc3C)CC2)cc1F	776046301	RUYFYYATSMEEQY-UHFFFAOYSA-N	423.286	3.654	10	20	HHCD	
CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(O)c2O)CC1	776647233	CHXGJTRRNDPVSE-UHFFFAOYSA-N	408.420	3.853	10	20	HHCD	
COCCO[C@H]1COCC[C@H]1NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	777211539	LXCSAPOHMVXXOJ-PKTZIBPZSA-N	414.546	3.768	10	20	HHCD	
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	777648151	LAXPCSJIVMZLPR-UHFFFAOYSA-N	421.656	3.826	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1	783483231	PLDIFGYGHNIYAA-MRXNPFEDSA-N	416.481	3.960	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2)c2ccco2)cc1	785553226	YBPMIASGWQEZSV-QFIPXVFZSA-N	405.498	3.648	10	20	HHCD	
C[C@H]1[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)CCN1C(=O)OC(C)(C)C	786257661	WWRAUFNMXUNEON-LPHOPBHVSA-N	419.591	3.502	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3c3cc(OC)ccc3OC)CC2)cc1	788088677	AOGFTTYHMTURJA-IFMALSPDSA-N	410.514	3.555	10	20	HHCD	
CC(C)(C)[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(F)cc1	788247189	NIDYZHZORYZGFP-HNNXBMFYSA-N	409.552	3.784	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3nc(C(C)C)cs3)cc2)CC1	789487135	SWHXEILDLIVBOZ-UHFFFAOYSA-N	400.548	3.758	10	20	HHCD	
CO[C@]1(C)CCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	793062300	RDHPZFPJUXONSP-HRAATJIYSA-N	411.493	3.857	10	20	HHCD	
Cc1c([C@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)oc2ccccc12	793627666	PWTPMSNUFYHSSC-KRWDZBQOSA-N	403.482	3.611	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1NCc1ccc(N2CCCC2)cc1	796696021	ROSUVSAIJGAQKQ-DZFGPLHGSA-N	403.567	3.695	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)c(F)cc1O	797041720	FUTDGLIJYPUZJX-QWHCGFSZSA-N	414.319	3.625	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(N)c1C(=O)N(Cc1ccco1)Cc1ccccc1O	797190002	NNWAWIIKVFCSRG-UHFFFAOYSA-N	416.481	3.963	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnc4sccn4c3=O)cc2Cl)C1	800050403	VPZAOWRXJBYIEL-CYBMUJFWSA-N	416.934	3.576	10	20	HHCD	
CC(C)(COCc1ccccc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	800498321	HINCACCWPSKYDE-UHFFFAOYSA-N	410.558	3.755	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1	800637475	ZMKIKLNXMYPSSM-AWEZNQCLSA-N	400.910	3.535	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3Oc3cnn(C)c3)c2)CC1	801181822	VUXMXUOHTWKLHL-UHFFFAOYSA-N	419.529	3.995	10	20	HHCD	
CN(C)c1ccc(CNc2c(Br)cccc2S(C)(=O)=O)cc1F	804392383	MWQRFRIIJLEIFV-UHFFFAOYSA-N	401.301	3.670	10	20	HHCD	
COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2C)cc1Cl	808093838	WBVAGXKHVWJGHB-UHFFFAOYSA-N	406.287	3.833	10	20	HHCD	
CSCc1cccnc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	810632020	RMURGPWHBULXCV-QGZVFWFLSA-N	405.951	3.698	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc(N2CCCNC2=O)cc1	813099040	NKFXUORNNLKJKQ-CQSZACIVSA-N	419.576	3.605	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1c1ncnc2ccccc12	813685452	ZZKKTPFKYMRANM-KRWDZBQOSA-N	417.296	3.927	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O	813685666	NWMINHPRISVGDQ-KRWDZBQOSA-N	424.328	3.839	10	20	HHCD	
OC[C@@H](NCc1cccc(Br)c1O)c1ccc(Br)c(F)c1	813792756	WNZWASITRDKRSM-CQSZACIVSA-N	419.088	3.880	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(C)s2)cs1	915290929	CDOWSULYMCSTCH-UHFFFAOYSA-N	411.486	3.898	10	20	HHCD	
CCCC(=O)N1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C1	917933075	DDGGYSGWQOXRHF-FQEVSTJZSA-N	411.546	3.913	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(OC(F)F)c2)cc1	918310637	RGBUGKAJEAHTEV-UHFFFAOYSA-N	405.445	3.731	10	20	HHCD	
CCc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)N(C)C)cc1	920921754	RPPGPAMWPPAHJN-CYFREDJKSA-N	424.589	3.749	10	20	HHCD	
COc1ccc(Cl)cc1CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	1320761101	AZKXWPJDRPEDLR-UHFFFAOYSA-N	409.269	3.715	10	20	HHCD	
CCOC(=O)c1sc2ncnc(NCc3ccc(N4CCOCC4)cc3)c2c1C	53583243	JNKTXBXWFOUSKZ-UHFFFAOYSA-N	412.515	3.625	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2ccc(C)c(C)c2)nc1-c1ccccc1	71564996	CSLBVHWNJLIAQL-UHFFFAOYSA-N	416.524	3.943	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(Br)cn2C)cc1	96989212	SKVAJDVJZQCXTI-SFHVURJKSA-N	420.351	3.675	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2ccccc2Cl)CCOCC1	475933745	SMJCROQYWLHHTR-UHFFFAOYSA-N	400.906	3.880	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C/c2cnn(-c3ccc(F)cc3)c2)SC1=S	728200753	AXDSSEUTWVFDDN-YBEGLDIGSA-N	419.503	3.858	10	20	HHCD	
CCn1c(SCC(=O)N[C@H](C)c2cc(OC)ccc2O)nnc1-c1cccs1	728978964	AMOAUSQYAAOOBQ-GFCCVEGCSA-N	418.544	3.710	10	20	HHCD	
CC[C@H](C)[C@H](C)N(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1	729545895	YVTQHSKWVWUGKH-MANSERQUSA-N	419.585	3.955	10	20	HHCD	
COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cc(Br)cc(OC)c1O)N2	730271760	CMFPDYTVIIIIQK-SFHVURJKSA-N	419.275	3.901	10	20	HHCD	
CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1OC	731347006	HLAQQRBWDHREFO-UHFFFAOYSA-N	419.453	3.917	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1	734066046	HZEHOXJEFRPJRI-INIZCTEOSA-N	407.470	3.935	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC3Cc4ccccc4C3)cc2F)C[C@@H](C)O1	735326562	PSQZOOPIUKNAIX-CALCHBBNSA-N	411.521	3.654	10	20	HHCD	
Cc1oc(-c2ccccc2F)nc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	737856869	GFZFTZSKKBUGTJ-UHFFFAOYSA-N	423.488	3.928	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1	740609955	PXMCACMIKBRHIF-UHFFFAOYSA-N	402.516	3.900	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCC[C@H]3CCC[C@@H]31)c2[N+](=O)[O-]	741983927	IVCZHPBZKGLURR-ACJLOTCBSA-N	404.422	3.775	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCN1CCN(c2cccc(C)c2)CC1	742248265	FAWFWFWNTWKFIV-UHFFFAOYSA-N	408.590	3.622	10	20	HHCD	
Cc1ccc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1	742748980	BXUPBGGYCZHRGU-OAQYLSRUSA-N	411.546	3.986	10	20	HHCD	
CCc1cnc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	743693729	QXNSJRGUCKZVCR-ZDUSSCGKSA-N	410.490	3.775	10	20	HHCD	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1	743719894	ZBWLOTDTPPKGPH-UHFFFAOYSA-N	407.919	3.648	10	20	HHCD	
CC[C@@]1(C)CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	743860525	KJZPDDFOCCGLJX-IXFSTUDKSA-N	405.558	3.568	10	20	HHCD	
COc1ccc([C@@H](C)NC(=O)NCc2cccc(OC)c2O)cc1Br	745359770	SBAHLYGGRNDRKZ-LLVKDONJSA-N	409.280	3.732	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CCC(F)(F)F)c2C)cc1	745519398	LTGAFKPAKZKQRW-UHFFFAOYSA-N	411.376	3.949	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2C)no1	752152108	VTOMLOYCHYLJAY-IBGZPJMESA-N	409.486	3.918	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	756362746	LJSXZZMDELWIRF-LSDHHAIUSA-N	421.519	3.743	10	20	HHCD	
COc1cc([C@@H](C)N[C@H](C)c2cc(Br)ccc2O)ccc1OCCO	756460782	SXCNVCAQBJYRHJ-CHWSQXEVSA-N	410.308	3.946	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)CCC2CCOCC2)c([N+](=O)[O-])c1Br	757772239	MNFBPFHHLLXHOC-UHFFFAOYSA-N	418.244	3.527	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCC3(CC(C)C)CCC3)CC2)cc(OC)c1OC	759291663	DSCFKSSARWXEFF-UHFFFAOYSA-N	419.566	3.760	10	20	HHCD	
O=C(Nc1ccccc1)NC1CCN(C(=O)NCCCSc2nccs2)CC1	759590470	KOAXDZSIRPHSIG-UHFFFAOYSA-N	419.576	3.621	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cc(C(F)(F)F)ccc3F)c2)CC1	760562440	VNHRGSCMGJCHIO-UHFFFAOYSA-N	409.383	3.799	10	20	HHCD	
Cc1ccc(-n2nnc([C@@H](C)NCc3ccc(N4CCC(CO)CC4)cc3)c2C)cc1	765288603	YFHWGPCTULUNHZ-LJQANCHMSA-N	419.573	3.944	10	20	HHCD	
COc1ccc(N2CCC(NCC3(N4CCC(OC)CC4)CCCC3)CC2)cc1	765859172	IUMADVSWNZSWHC-UHFFFAOYSA-N	401.595	3.677	10	20	HHCD	
COC[C@@H]1CCCCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])C1	767224682	PUNALFPIBBOKML-SNVBAGLBSA-N	418.244	3.527	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1	767883356	HTBNVSLEBAJPMF-HXUWFJFHSA-N	419.566	3.565	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1F	768054898	NSRGJDJBPIUUTH-UHFFFAOYSA-N	414.308	3.903	10	20	HHCD	
Cc1nc(NC2CC2)sc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	770990604	IBJXGINCZGEBHK-CHWSQXEVSA-N	418.538	3.709	10	20	HHCD	
C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(N(C)C)cc1	773015566	OWJXITBTQMIXMN-HNNXBMFYSA-N	415.484	3.760	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N(C)C)cc1	773613446	QUELMYFLLGADFH-KUHUBIRLSA-N	400.910	3.572	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1N(C)C(=O)c1cccs1	773748617	MYHGSMQHNAXLTJ-CQSZACIVSA-N	410.495	3.797	10	20	HHCD	
C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc(Br)c1O	775150975	CVGVVEYPDFMGMJ-NSHDSACASA-N	408.252	3.570	10	20	HHCD	
COCc1nnc(-c2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2)o1	776301570	YZGOLVPUVAOFQE-UHFFFAOYSA-N	408.502	4.000	10	20	HHCD	
C[C@@H]1CN(c2ccc(N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)cn2)C[C@@H](C)O1	777704438	KERVCTXEFHTRQY-KZNAEPCWSA-N	414.525	3.844	10	20	HHCD	
Cc1cc(CN(CC(C)C)C(=O)/C=C\c2ccc(O)c(O)c2)nc(N2CCCCC2)n1	779539955	OJBJQHIXFZIAFK-NTMALXAHSA-N	424.545	3.885	10	20	HHCD	
Cn1ccnc1[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1	780763404	BGIGKDLYPJHYKU-NRFANRHFSA-N	423.542	3.761	10	20	HHCD	
C[C@@H](NCc1noc(-c2ccc(F)cc2F)n1)c1ccc(N2CCOCC2)cc1	781902671	IBERYRAWSNNGKW-CQSZACIVSA-N	400.429	3.702	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3c(C)[nH]c4ccc(Cl)cc34)cc2)CC1	787323688	YNLFCLPMBPPDPL-UHFFFAOYSA-N	424.932	3.728	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cnc(N3CCOCC3)s2)c1	787759640	ZOHCNITVHDRUIV-UHFFFAOYSA-N	410.543	3.626	10	20	HHCD	
COC(=O)c1csc(-c2cccc(CNCc3cc(OC)c(OC)cc3O)c2)n1	792193556	YDLKJBOTUDADCC-UHFFFAOYSA-N	414.483	3.609	10	20	HHCD	
C[C@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccc(N(C)C)cc1	793560531	CKTGVRHEPRSMEP-FYSMJZIKSA-N	406.530	3.828	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3ccn(C)n3)c2C)cc1	795790069	KXBVVKQJKOTQOO-UHFFFAOYSA-N	409.486	3.585	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3ccccc3C(N)=O)c2C)cc1	795814840	XTUIDKKERRWWIG-UHFFFAOYSA-N	418.493	3.860	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCCC4)nn3)cc2Cl)C1	800047789	PRNYKSYNBBKCBO-INIZCTEOSA-N	413.953	3.897	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNCc3cn(Cc4cccnc4)nn3)cc2Cl)C1	800276610	PDKIMGRNNCIAKM-QGZVFWFLSA-N	410.953	3.901	10	20	HHCD	
CCOc1cccc(CNc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1O	800310841	FYAHHAKPHRGWAF-UHFFFAOYSA-N	410.518	3.584	10	20	HHCD	
COCCOC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1	800731763	SWEQYOILJRGDAL-UHFFFAOYSA-N	409.534	3.521	10	20	HHCD	
Cc1nn(C)c(Br)c1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	801154406	NWIKLGOJVDJPJG-UHFFFAOYSA-N	405.340	3.657	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1F	803661881	CKQUVMXYQXTQPV-IBGZPJMESA-N	421.463	3.690	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCCC[C@H]2CCCCO2)cc1)C1CCCCC1	803677166	HKJUJLPMTFTIQI-JOCHJYFZSA-N	415.578	3.537	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1	804750893	NMIGXWHZIZGXRV-CWWFIGIMSA-N	407.388	3.648	10	20	HHCD	
CS(=O)(=O)Cc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	806242610	BCUJUSOYAKMTPC-UHFFFAOYSA-N	403.287	3.565	10	20	HHCD	
Cc1cc(C)nc(-n2nccc2NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1	806450087	IAWWBFVSFFMAML-UHFFFAOYSA-N	407.261	3.613	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(C)c1	806735696	LZFVBLAODDXOMA-UHFFFAOYSA-N	410.514	3.687	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc2ncsc2c1	807565377	KJCREMRZHYADOW-OAHLLOKOSA-N	410.543	3.588	10	20	HHCD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)s1	808526936	VMEKNBCSNAPDJF-UHFFFAOYSA-N	420.950	3.741	10	20	HHCD	
CCN(CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1	857473281	VYDBBOFGXLWPHG-IBGZPJMESA-N	401.938	3.653	10	20	HHCD	
Cc1cccc(OCCNC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	914904234	YEDKKLWHYHKYGM-IBGZPJMESA-N	421.497	3.538	10	20	HHCD	
O=C(Nc1ccc(N2CCCC2=O)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916671979	YWMPTYGHVRKIFU-FQEVSTJZSA-N	409.486	3.732	10	20	HHCD	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918224741	WCQXKKINHLTUIN-AWEZNQCLSA-N	407.436	3.843	10	20	HHCD	
COc1ccc(CN(C)C(=O)CN2CCCc3cc(OC(F)F)ccc32)cc1OC	919804780	IDOFFBWYHVMEOE-UHFFFAOYSA-N	420.456	3.716	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3nc(-c4ccccc4)ns3)CC2)cc1	920939988	NAPHXQWPQHTWBI-UHFFFAOYSA-N	409.515	3.958	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(O)nc3)cc2)cc1	1317907839	JEARBHKLHYRYEY-UHFFFAOYSA-N	418.497	3.816	10	20	HHCD	
Cc1noc(-c2ccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)cc2)n1	1319663039	UUXODLWZVBFEGM-UHFFFAOYSA-N	405.502	3.828	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccnc(Cc4ccccc4)n3)CC2)cc1F	1325186873	NEUPAOWLOMNGAE-UHFFFAOYSA-N	421.476	3.569	10	20	HHCD	
CN1CCN(c2ccc(CNCc3ccc(Br)cc3F)cc2F)CC1	1336768932	ZQDBPWRVYHWKSR-UHFFFAOYSA-N	410.306	3.769	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cccc(OC(F)(F)F)c1	97098310	YDOSXBIMEUUYIM-UHFFFAOYSA-N	401.391	3.905	10	20	HHCD	
CCn1cc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc21	115527778	RNRBHLOPOCASJA-UHFFFAOYSA-N	420.557	3.612	10	20	HHCD	
Nc1ccc(NC(=O)c2cc(Br)ccc2I)cc1	224170479	ADGHOVQTTKZQAX-UHFFFAOYSA-N	417.044	3.888	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)n(C)c2ccccc12	478596895	ZMBJNFUGVCNEMH-ZDUSSCGKSA-N	401.869	3.773	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cccc(OCCCOC)c3)SC2=S)cn1	726197793	ZRYLFNNVRRTJQA-GZTJUZNOSA-N	403.529	3.724	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3nc(C(C)(C)C)ccc3=O)c2C)cc1	727269567	ZLYHUFDNBYSJLY-UHFFFAOYSA-N	421.497	3.618	10	20	HHCD	
C[C@@H](NC(=O)N(CCN(C)C)CC1CCCCC1)c1ccc(N2CCOCC2)cc1	738988998	HZXHJVDUWWDYOO-HXUWFJFHSA-N	416.610	3.738	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1	740812805	CDOSAPKYLGVRLI-UHFFFAOYSA-N	402.925	3.683	10	20	HHCD	
COc1ccc(C(=O)C2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)cc1	740920040	PILACTDOBOBPDO-UHFFFAOYSA-N	419.525	3.876	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	742183319	FLDDXXABGPIYEL-VQTJNVASSA-N	406.523	3.661	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCc3c[nH]nc3C2)c(C)n1-c1ccc2c(c1)CCC2	745622502	MOMYWOYHFPVAHM-IBGZPJMESA-N	417.509	3.837	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cc1	745927048	QTOYCYCKAVDBRN-UHFFFAOYSA-N	406.571	3.978	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc4c(c3)CCCN4C)ccc2NC1=O	745931283	IEWBNSJZNDEJHS-VFNWGFHPSA-N	422.529	3.739	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ccc2c(c1)CCCN2C	746878787	FAEGLEFQKFUYJP-CYBMUJFWSA-N	420.340	3.811	10	20	HHCD	
COc1ccccc1C1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1	749427248	WWJLKNGJDYLYAC-UHFFFAOYSA-N	411.571	3.779	10	20	HHCD	
O=C(c1cc(I)c[nH]1)N(Cc1ccco1)Cc1ccccc1O	750242993	WGOSMIOOVKXLCE-UHFFFAOYSA-N	422.222	3.761	10	20	HHCD	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	751084652	RPGFSSRJROGZHG-IVZQSRNASA-N	415.484	3.924	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](COC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	751930414	DYILWYCLUSMQEL-HNNXBMFYSA-N	417.531	3.730	10	20	HHCD	
CC[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1cccc(F)c1	753345828	FKSJGWNZUUMDSJ-NRFANRHFSA-N	415.509	3.661	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl	753641046	XWGSUTZEXXMKQK-SNVBAGLBSA-N	417.815	3.714	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnc(OC(C)C)c(Cl)c3)CC2)cc1F	753740853	WPFMJPWSWZEFPW-UHFFFAOYSA-N	407.873	3.632	10	20	HHCD	
COC(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	754549911	FGYGBRZDNSMCHH-UHFFFAOYSA-N	413.429	3.820	10	20	HHCD	
COc1cc(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c(O)c(C(C)(C)C)c1	754725770	CVSFIBDZWSTPKD-SFHVURJKSA-N	401.503	3.765	10	20	HHCD	
C[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(Cl)ccc1O	756685606	GJACBJZHMBLCLO-HNNXBMFYSA-N	408.951	3.797	10	20	HHCD	
CCC(=O)c1cc(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)ccc1F	756971831	IUKKTNUARNDHEV-UHFFFAOYSA-N	415.484	3.629	10	20	HHCD	
COc1ccc(CNC(=O)NCCCSc2nccs2)cc1Br	759575814	TWVCVSQIDNTMPE-UHFFFAOYSA-N	416.366	3.896	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@H](O)c1ccc(Cl)cc1Cl	759603263	SHFKMAODGHZSAC-ZDUSSCGKSA-N	406.360	3.965	10	20	HHCD	
Cc1c(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cnn1C	759760409	FXUPTEQJKUBHBA-UHFFFAOYSA-N	401.308	3.829	10	20	HHCD	
CSCc1nc2ccccc2n1CC(=O)NCc1cccc(Br)c1O	765756874	NREAHDXSMZOLFJ-UHFFFAOYSA-N	420.332	3.684	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cnc1Cl	767677171	XVVOKOAWBYUZSO-UHFFFAOYSA-N	423.903	3.603	10	20	HHCD	
C[C@@H](Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1[N+](=O)[O-])c1ccccn1	768917364	LLOBMBVLWIGLCF-CYBMUJFWSA-N	408.414	3.504	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)CSc1nnc(-c2cccs2)n1C1CC1	769283193	SAZVRWWKDYWJGB-UHFFFAOYSA-N	400.529	3.798	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(Cc3cccc(Br)c3O)CC2)c(C)o1	769319191	UTRNTTAEQFSGGM-UHFFFAOYSA-N	407.308	3.759	10	20	HHCD	
Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(-c2ccccc2)ccc1O	769401770	ORDYYYUIIUYRDN-DEOSSOPVSA-N	412.493	3.688	10	20	HHCD	
COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(Br)ccc1O	769528711	YBIWWLRQZMCLQO-INIZCTEOSA-N	418.209	3.918	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cnn1-c1ccccc1OC	769555247	GOSORVODMNOUAC-UHFFFAOYSA-N	404.514	3.974	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3cc4ccccc4[nH]3)cc2F)C[C@@H](C)O1	771205419	SRWCZZZMPMFIIP-CALCHBBNSA-N	424.520	3.963	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCC(O)(c2cccnc2)CC1	771359189	UHXKNNKJAWVKEC-UHFFFAOYSA-N	410.562	3.898	10	20	HHCD	
CCN(C)C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1	775725070	GWTGYJXCRGTSMW-NSHDSACASA-N	406.162	3.691	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	775727075	HKMNLIXNRVENPA-KKSFZXQISA-N	417.550	3.954	10	20	HHCD	
C[C@H]1[C@@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C(=O)OC(C)(C)C	776323742	HKFNMEFIOFIYCX-MSOLQXFVSA-N	414.550	3.602	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCCCC12OCCO2	785049802	APFFSWIWPVKSRE-IBGZPJMESA-N	408.458	3.842	10	20	HHCD	
C[C@H](NC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	790487120	JNUVHLLJIXXPNR-FQEVSTJZSA-N	423.557	3.975	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)n1cnc2ccccc21	791249695	YENSSUHLBOSEOS-KRWDZBQOSA-N	422.529	3.986	10	20	HHCD	
Cc1cc(C(=O)CN(C)C2(CO)CCOCC2)c(C)n1-c1ccc(F)c(Cl)c1	792408644	HVJRUTQLLPRWAI-UHFFFAOYSA-N	408.901	3.543	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c(O)c1	792962180	FQKCXRAVHAOHAC-LLVKDONJSA-N	402.838	3.665	10	20	HHCD	
COc1c(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(Cl)cc1C(N)=O	793573186	DFPWYTVCZZBKEV-LBPRGKRZSA-N	407.873	3.596	10	20	HHCD	
CCOCCOc1ccc(Cl)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	797623696	ZAPBRTCZHCTBLU-ZDUSSCGKSA-N	408.882	3.919	10	20	HHCD	
COc1cc(Br)cc(CNCc2ccncc2OCC(F)(F)F)c1O	798504274	BGQSUPPYPKWPHI-UHFFFAOYSA-N	421.213	3.789	10	20	HHCD	
Cc1ccc(-c2ccnn2C)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	799241158	PSERCSXRINLJQF-UHFFFAOYSA-N	419.529	3.896	10	20	HHCD	
COCCOc1cncc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	800832694	HSEIXKVCPBZCDW-UHFFFAOYSA-N	409.486	3.608	10	20	HHCD	
C[C@@H](CCc1cccn1C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803678171	ZTMUTCUKKFVQAR-IBGZPJMESA-N	424.589	3.548	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3c(F)cccc3SC)CC2)cc1F	805757665	DMJCKAHIBCXFKV-UHFFFAOYSA-N	407.486	3.727	10	20	HHCD	
CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290454	KELBQNJRDLDDBF-UPVQGACJSA-N	417.553	3.755	10	20	HHCD	
COc1ccc(Cn2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)cc1	807838683	OGQGMZJHPKQVOI-UHFFFAOYSA-N	406.269	3.882	10	20	HHCD	
CC(C)(C)OC(=O)NCC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1	809723090	BFDPVSMFBOFSCZ-LJQANCHMSA-N	421.557	3.932	10	20	HHCD	
CN1CC[C@@H]2[C@@H](CCCN2Cc2cc(Br)cc(Br)c2O)C1	809767534	NLLBSOHJODZRRR-XHDPSFHLSA-N	418.173	3.833	10	20	HHCD	
O=[N+]([O-])c1c(Br)cccc1NCc1ccc(N2CCOCC2)c(F)c1	820634171	LNJOZXODOKENEQ-UHFFFAOYSA-N	410.243	3.945	10	20	HHCD	
CN(C)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cccc(F)c1	915900939	LXSMUTQPKDARII-RTWAWAEBSA-N	415.509	3.525	10	20	HHCD	
CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1	916591493	PSDAJRBTKLTYBS-UHFFFAOYSA-N	408.410	3.675	10	20	HHCD	
CC(C)c1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	917711052	PNYBYGXCRNFKAP-QGZVFWFLSA-N	400.494	3.869	10	20	HHCD	
COc1ccccc1CN(CCO)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	918200680	YLNZXMGGOFPDSR-UHFFFAOYSA-N	421.541	3.849	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCn4cccc4[C@H]3C)cc2F)C[C@@H](C)O1	918221363	PALVKCXEAMCPIJ-BRWVUGGUSA-N	400.498	3.527	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCCc3c2cnn3C)cc1	919655347	VIXIWEDNOTWNKS-OAQYLSRUSA-N	407.518	3.869	10	20	HHCD	
Cc1cc(C(=O)CSc2nnnn2Cc2ccco2)c(C)n1-c1cccc(F)c1	11310164	YAUJRACSNUMMEC-UHFFFAOYSA-N	411.462	3.836	10	20	HHCD	
C[C@H](NC(=O)Nc1nnc(-c2ccsc2)s1)c1ccc(N2CCOCC2)cc1	142187272	BDUORIZJUIBLDP-ZDUSSCGKSA-N	415.544	3.986	10	20	HHCD	
Cc1noc(C)c1COc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1	437009910	NAGIKKBGCOPHFB-UHFFFAOYSA-N	421.497	3.905	10	20	HHCD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(NC(=O)C2=S=CC=C2)cc1	509881989	BIPMOYVNZNPCCM-UHFFFAOYSA-N	420.469	3.788	10	20	HHCD	
CCc1cccc2c(CCNC(=O)C(=O)NCc3c(C)c4ccccc4n3C)c[nH]c12	553638145	NTQFUQQNHWBRCB-UHFFFAOYSA-N	416.525	3.506	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]3[C@@H]2[C@@H]3C(F)(F)F)C1	683528822	AOKCPSOUNAYURR-IWMITWMQSA-N	405.464	3.817	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc4c(cc3F)CCC(=O)N4)CC2)cc1	726695889	JRIMCZFUWRLADH-UHFFFAOYSA-N	412.465	3.510	10	20	HHCD	
CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)s1	727245996	FPCFXZSSJGUJAC-UHFFFAOYSA-N	414.559	3.704	10	20	HHCD	
CC(C)(C)n1cnnc1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	727654188	PSPMSYSLIGUPJG-UHFFFAOYSA-N	420.494	3.539	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCn2c(S)nnc2-c2ccc(C)cc2)c1	728983914	HDTDODSJIQSSHT-AWEZNQCLSA-N	412.515	3.524	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN(C)[C@H]2CCOC2)sc(C)c1-c1ccccc1	730378689	TYZZNGMXLIMGJG-KRWDZBQOSA-N	416.543	3.950	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)cc2)CC1	731038924	PIMAVXSHSNCELN-QGZVFWFLSA-N	400.544	3.725	10	20	HHCD	
C[C@@H](c1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1)N1CCOCC1	735574924	QYYZWAZGHUFXOO-INIZCTEOSA-N	400.498	3.607	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COc3ccc(O[C@H](C)C(N)=O)cc3)c2C)c1	742361823	YYTXZDLBAMABCO-GOSISDBHSA-N	406.482	3.917	10	20	HHCD	
O=C(Nc1cnn(CC2CC2)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743237509	AEHMQQZHBHGIOM-HNNXBMFYSA-N	405.449	3.685	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C2CC2)cc1	743305160	WJBPWWKASMJYMP-XMMPIXPASA-N	407.558	3.535	10	20	HHCD	
O=C(NC[C@@H]1Cc2ccccc2O1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743534305	RHBADAHHFSFJGS-LPHOPBHVSA-N	417.456	3.560	10	20	HHCD	
CN(C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C	743552383	MTJQFALGSXJOOR-FQEVSTJZSA-N	416.566	3.828	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1	749570787	AOFUZINBRTUEKT-UHFFFAOYSA-N	410.539	3.877	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1O	750179107	HCJVDIPSFNISIB-MRXNPFEDSA-N	414.310	3.862	10	20	HHCD	
COC(=O)COc1c(C)cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C	752805457	HKGPBJHWDIOSJZ-UHFFFAOYSA-N	423.465	3.996	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(Cl)c4c(c3)OCCCO4)CC2)cc1F	753738940	VYOTZBCSMGGXAI-UHFFFAOYSA-N	420.868	3.611	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c2ccccc12	756159097	FRRWHIWZSJQXQE-UHFFFAOYSA-N	416.930	3.808	10	20	HHCD	
O=C(O)[C@H](Cc1ccc2c(c1)OCCCO2)NCc1cc(Cl)cc(Cl)c1O	756384521	BBFRCWLMRAIWOO-HNNXBMFYSA-N	412.269	3.646	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cnn(-c3ccccc3Br)c2)c1	756485234	ALBAAKHVSGGEKD-UHFFFAOYSA-N	417.263	3.671	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1	756838623	OBHNHDOVFUPZHV-ADLMAVQZSA-N	417.811	3.933	10	20	HHCD	
COc1ccc(N(C)CC(=O)NCc2ccc(CN3CCCC3)cc2)cc1Cl	757857103	JZIGFDDUDIEFOT-UHFFFAOYSA-N	401.938	3.697	10	20	HHCD	
CC(C)(C)OC1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	759394214	MCPQKBQMIMTCCN-UHFFFAOYSA-N	420.509	3.680	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1cnn(-c2cnc3ccccc3n2)c1	760039556	YHORBFKCTDYVSU-UHFFFAOYSA-N	413.485	3.737	10	20	HHCD	
C[C@@H](NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)c(F)c1	765312309	CVYZNZXEQNOMPV-QZTJIDSGSA-N	401.501	3.979	10	20	HHCD	
C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(N2CCCCC2)c(F)c1	765333426	UXIJYGGZUVMRMA-PGRDOPGGSA-N	407.599	3.675	10	20	HHCD	
CCOCCCN1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)[C@H](C)C1	766024502	WWIBHENIXWLJMY-MSYCTHLASA-N	424.029	3.964	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H](NC(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2	768104661	KBZQCQMUZXISMQ-FQEVSTJZSA-N	409.530	3.831	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1[S@@](=O)CC	769292099	QVIMZYSHBSEMEA-DEOSSOPVSA-N	410.333	3.945	10	20	HHCD	
COCCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1	769886724	RVXJOXJJPPITSH-MRXNPFEDSA-N	418.921	3.693	10	20	HHCD	
C[C@@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(N2CCCCC2)cc1	772976440	KJIAVVUGJVTAJI-MRXNPFEDSA-N	415.550	3.592	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(N(C)C)cc1	773299309	RGKXMPINTURAIX-NVXWUHKLSA-N	418.488	3.993	10	20	HHCD	
CSc1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1-c1ccc(F)cc1	773741146	VODHUFYDKYEOGE-LBPRGKRZSA-N	401.463	3.506	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](c3noc(C)n3)c3ccccc3OC)CC2)cc1	777038096	WHOOCNZSSOWRDU-QFIPXVFZSA-N	408.502	3.743	10	20	HHCD	
CN(CCC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1)C(=O)OC(C)(C)C	779547454	LORJMTDRBBLLIL-VURMDHGXSA-N	404.507	3.607	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cn(C)nc3-c3ccccc3)CC2)cc1	782526113	CVRPRASJQYMDKX-UHFFFAOYSA-N	419.529	3.518	10	20	HHCD	
COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1[N+](=O)[O-]	782619797	HXDNNEOLGSTSRA-MRXNPFEDSA-N	401.419	3.522	10	20	HHCD	
COC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1C	782896706	TZZDQDUHJGXVJO-UHFFFAOYSA-N	424.497	3.787	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccnn1C(C)(C)C)c1ccc(N)cc1	783482864	LRRBYCGLOGWCLJ-MRXNPFEDSA-N	405.502	3.953	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC)c2cccnc12	784030227	LPMRMIFQGMNSEM-UHFFFAOYSA-N	407.470	3.716	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2c(F)cccc2-n2cccn2)C2CCCCC2)cc1	784058935	CSOUTSCNRCGJIR-UHFFFAOYSA-N	421.476	3.898	10	20	HHCD	
C[C@@H](CCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)CC(C)(C)C	785588367	QFOYCOXBRWSTEJ-HKUYNNGSSA-N	402.583	3.650	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccccc2C(F)(F)F)cc1	786681348	IFRMSMOHHGHGQH-UHFFFAOYSA-N	421.463	3.826	10	20	HHCD	
C[C@@H](NC(=O)NCCc1ccccc1OC(F)F)c1ccc(N2CCOCC2)cc1	788094287	QXSHPRWOHPDOAG-MRXNPFEDSA-N	419.472	3.728	10	20	HHCD	
CS(=O)(=O)N(CCN(Cc1ccccc1O)C1CCCC1)Cc1ccccc1	792229447	CACGNCPTDFDACW-UHFFFAOYSA-N	402.560	3.599	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c(O)c1	793083175	ABVMCFQLQYJYKQ-NSHDSACASA-N	402.838	3.665	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNCc1cnc2n1CCCC2	793620879	RWZGIQDOGJATJN-UHFFFAOYSA-N	415.129	3.740	10	20	HHCD	
Cc1nc(/C=C\c2ccc3c(c2)CCN3Cc2ccccc2)nc(O)c1CC(=O)O	794715029	UREOCSKAISXHLH-NTMALXAHSA-N	401.466	3.851	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(Br)cc2O)s1	794829552	UBQYRSAMRYCAEC-SNVBAGLBSA-N	404.351	3.861	10	20	HHCD	
Cc1cc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2C)c(C)n1-c1ccccc1	800731662	NZGPCKQEHYSHGI-UHFFFAOYSA-N	420.561	3.632	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1	800764087	XTYRTEYGKCBZSV-HSZRJFAPSA-N	418.541	3.887	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	802237016	WJDZUNQEFPSSJY-QFIPXVFZSA-N	423.557	3.938	10	20	HHCD	
CC[S@@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	803472816	KAYXHZKTSDSTLU-AREMUKBSSA-N	416.326	3.895	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807840332	ZCTFHQOMGALNBI-ORAYPTAESA-N	415.317	3.962	10	20	HHCD	
COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2F)cc1Cl	808105708	MXTFCMOQRZLPKS-UHFFFAOYSA-N	410.250	3.664	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(F)(F)[C@@H](CO)C3)cc2Cl)C1	813156531	JAORVBSOJGTCQC-GOEBONIOSA-N	415.912	3.735	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc(C3CCCCC3)cc2)c1	857511242	GSBZPQOZPOYWHQ-UHFFFAOYSA-N	402.516	3.741	10	20	HHCD	
CS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1	863995284	TZRSSZRSEZEXST-UHFFFAOYSA-N	410.451	3.841	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CS(=O)(=O)C(C)C)sc(C)c1-c1ccc(C)cc1	917619792	QDMRFFSJKFFLRE-UHFFFAOYSA-N	423.556	3.970	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C(C)C)nc2ccccc12	1325761234	CROTWEVMKXPCNU-FQEVSTJZSA-N	422.481	3.674	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COC(=O)c3cc(Cl)ccc3Cl)CC2)cc1	3555498	DEWXWRFDGLZTPQ-UHFFFAOYSA-N	423.296	3.508	10	20	HHCD	
CCC(=O)Nc1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	55531831	IOMPCYNFBSACBC-HOTGVXAUSA-N	413.493	3.718	10	20	HHCD	
O=C(COc1ccccc1Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1	108808325	FZLILRPOEIDSTE-UHFFFAOYSA-N	416.521	3.809	10	20	HHCD	
Cc1noc(-c2cccnc2NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	301383308	VQXWHNLGIBMWCY-UHFFFAOYSA-N	419.407	3.908	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1)C1CCCCC1	303061660	LYUHVFISDDZUJM-UGKGYDQZSA-N	401.576	3.526	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)cc1F	303526445	QIZIACNQRKMXGT-MOPGFXCFSA-N	403.542	3.717	10	20	HHCD	
Cc1c(CNC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)n(C)c2ccccc12	471723212	DFECSSCDWRCBEN-QFIPXVFZSA-N	420.513	3.604	10	20	HHCD	
Cc1c(CNC(=O)N2CCCN(C(=O)c3ccccc3)CC2)n(C)c2ccccc12	472298902	UNKACGBJPMEFNS-UHFFFAOYSA-N	404.514	3.544	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)n(C)c2ccccc12	552164727	KDWAOLNKKTTXNO-RTWAWAEBSA-N	403.526	3.946	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)cc1	726283887	NKRJQHKWFSGFQH-UHFFFAOYSA-N	413.877	3.976	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cc(C)oc2C)cs1	727250741	QNEUIMFKRRKOCM-UHFFFAOYSA-N	410.448	3.746	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)cc1Cl	727359770	XULPOBSDAGMUAS-UHFFFAOYSA-N	404.923	3.760	10	20	HHCD	
Cc1cc(C)cc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	730583349	QIRMORBPVRAHDW-AZUAARDMSA-N	408.546	3.566	10	20	HHCD	
COc1ccc(CCNC(=O)CN(Cc2ccccc2O)C2CCCC2)cc1OC	731845917	NLPVGNSYXQTIKE-UHFFFAOYSA-N	412.530	3.513	10	20	HHCD	
COC(=O)[C@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	733170042	JCKRWKYSKFVPSG-GFCCVEGCSA-N	407.308	3.738	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1	733973786	WRQBGBXJKWHPPW-MRXNPFEDSA-N	411.552	3.948	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1	734063757	PRDILQLBQXISMA-UHFFFAOYSA-N	405.882	3.856	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCC2(c3ccccc3Cl)CCOCC2)c1	734071003	PHHMVCWVOCFGMC-UHFFFAOYSA-N	404.894	3.602	10	20	HHCD	
CCc1nc(COc2ccc(C(=O)NCCCSc3nccs3)cc2)no1	734434767	CKIBXCVQKCLIMC-UHFFFAOYSA-N	404.517	3.580	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1	734865081	MLUXWSOVEMFXGU-XLIONFOSSA-N	401.457	3.751	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2nc(-c3ccoc3)no2)cc1	739708092	FIWGDOJPYZLSAC-HXUWFJFHSA-N	424.501	3.536	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(OCCC(C)C)c2)c1	740496306	WTRPUCSHXLVXEK-MRXNPFEDSA-N	414.502	3.950	10	20	HHCD	
CC1CCN(c2cccc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)c2)CC1	740604263	GDKFVECJMRKTQV-UHFFFAOYSA-N	417.506	3.748	10	20	HHCD	
CCCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	741084663	RAFQRZCDSOQPNY-BHDDXSALSA-N	415.578	3.899	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CCc2nccs2)NC(=O)OC(C)(C)C)cc1	742750745	PJTSCXRDHDMDNY-QGZVFWFLSA-N	418.563	3.524	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)c(F)c1	742807629	NGFYIAJXKZALDF-UHFFFAOYSA-N	421.310	3.727	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1c(F)cc(F)cc1F	743889652	QNCWFENBNHRCMF-UHFFFAOYSA-N	405.420	3.691	10	20	HHCD	
O=C(NCCNc1ncc(Cl)cc1Cl)NCc1c(O)ccc2c1CCCC2	745530720	TVMUQZSWRWHMPH-UHFFFAOYSA-N	409.317	3.884	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@@H]1c1ccco1	745904743	SVCGSBUOSYJVPM-MAUKXSAKSA-N	421.444	3.633	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	746469826	NYNFILRCHAGFQU-UHFFFAOYSA-N	408.392	3.659	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCC[C@H](C)N(C)Cc3ccccc3)CC2)cc1	746775131	UWGCHCJKFWWZOY-NRFANRHFSA-N	424.589	3.828	10	20	HHCD	
CC(=O)N1CC[C@](C)(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1	747089938	HHAUTRRLIMNTKZ-QHCPKHFHSA-N	414.477	3.526	10	20	HHCD	
CCOc1ccc(Oc2ccccc2NC(=O)C(=O)NCc2ccccc2O)cc1	748486203	NLHHDEHEIUAFJS-UHFFFAOYSA-N	406.438	3.838	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cccc(C(C)=O)c1	751465347	GMYOTFMYYKTDCG-UHFFFAOYSA-N	412.305	3.568	10	20	HHCD	
CCn1nc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1C	754487120	AFAJMIZWMOBARG-UHFFFAOYSA-N	411.550	3.544	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1ccc(N2CCOCC2)cc1	759571972	YCKOFUJLERHLOV-HNNXBMFYSA-N	406.577	3.522	10	20	HHCD	
CC(C)CCNC(=O)C1CCN(C(=O)CSc2ncc(C(C)(C)C)s2)CC1	759719224	IYVIQTHSYAANSY-UHFFFAOYSA-N	411.637	3.934	10	20	HHCD	
Cc1ccccc1CN1CCC(NC(=O)CN(C)c2ccc(OC(C)C)cc2)CC1	759933672	OIYGLOMCTLFXRL-UHFFFAOYSA-N	409.574	3.999	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cc(F)ccc2Br)SC1=S	761181165	OHCATOYMLQSSKW-WQLSENKSSA-N	418.309	3.743	10	20	HHCD	
CCCn1cc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1	762547052	UHFCBUWZRIFBMU-AWEZNQCLSA-N	402.454	3.508	10	20	HHCD	
Cc1c([C@H](C)NCc2ccc(N3CCOCC3)cc2)nnn1-c1cccc(Cl)c1	765283666	WHAOFTZLGILAOD-INIZCTEOSA-N	411.937	3.917	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OCCN(C)C)cc1	765285013	AARIAFBATJUKHW-FQEVSTJZSA-N	411.590	3.687	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	765894455	SDCIMSKZNNBIES-PTUXOGIPSA-N	423.557	3.603	10	20	HHCD	
C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4cc(Cl)ccc4O)CC3)cc2NC1=O	769313522	OYGNFFWDPCKGGY-CYBMUJFWSA-N	414.889	3.860	10	20	HHCD	
Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	772056214	FUDFGGQXSOHPDE-UHFFFAOYSA-N	408.374	3.539	10	20	HHCD	
CSCC[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn12	773620058	UNCZWNSDIAWIEI-CRAIPNDOSA-N	412.563	3.650	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2cc(Cl)c(Cl)cc2O)cc1	774144447	XZJQJFKUMVDHAD-GFCCVEGCSA-N	403.331	3.637	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1O	775047858	NMXUGGRRQIVFAA-UGSOOPFHSA-N	423.872	3.884	10	20	HHCD	
Cc1cc(Br)cc(CN2CCCN(C(=O)c3ccccc3F)CC2)c1O	775649073	KMZCNSNGICLTRY-UHFFFAOYSA-N	421.310	3.950	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@@H](c2ccc(F)cc2Cl)C1	775732676	YIQLJRYSZYLWSF-OAQYLSRUSA-N	419.928	3.577	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CS(=O)(=O)C1CCCC1	777823188	QVBDVLHSEVAWHD-QGZVFWFLSA-N	401.528	3.839	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCOc4c(F)cccc43)CC2)cc1	778785285	XSPYLLUNQQEOCC-OAQYLSRUSA-N	413.493	3.970	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H]3CCCN(C4CCC4)C3)CC2)cc1	781373093	ZFWKNZYYRRVXLF-MOPGFXCFSA-N	414.594	3.616	10	20	HHCD	
COC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)ccn1	786255912	QSVFUYVVQFPSJU-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccccc2OC2CCCC2)cc1	787208713	MCHTUFMMMQSMAS-UHFFFAOYSA-N	423.557	3.787	10	20	HHCD	
CN1CCC(Oc2ccc(CNC(=O)NCc3ccc(N4CC=CC4)cc3)cc2)CC1	790733158	WZUOFYKQVDHJJP-UHFFFAOYSA-N	420.557	3.535	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1	790773510	YURMTISWYUNOOW-IFXJQAMLSA-N	407.297	3.877	10	20	HHCD	
COc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc([N+](=O)[O-])c1C	790837547	ZRVPZWPULULAEE-UHFFFAOYSA-N	412.490	3.695	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CSc1ccc(O)cc1	791245576	BRCOEWGDNMPYFD-UHFFFAOYSA-N	416.543	3.873	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC(O)(c2scnc2Br)CC1	797604540	VSTNEFNSNBUDHN-UHFFFAOYSA-N	403.729	3.748	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c(O)c1	797617282	UAQDBNNUVSODFC-UHFFFAOYSA-N	419.481	3.928	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1	797644385	IIQLKBHKCMITGK-CQSZACIVSA-N	409.490	3.729	10	20	HHCD	
CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	799636726	XBEWSWRCFLAJAR-UHFFFAOYSA-N	421.931	3.966	10	20	HHCD	
CC(C)OC[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCO1	799995587	PABUKRYFGLGAGA-PKOBYXMFSA-N	423.985	3.912	10	20	HHCD	
CC(C)n1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1	800148973	UGMDKHSORQBWLL-OAHLLOKOSA-N	410.971	3.832	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3c3ncccn3)cc2Cl)C1	800572204	UZTPSEAVZUMRHB-OXJNMPFZSA-N	413.953	3.652	10	20	HHCD	
Cc1c(NC(=O)NCc2c(O)ccc3c2CCCC3)nnn1Cc1ccccc1F	801805209	UBDOMEMSNIOAAS-UHFFFAOYSA-N	409.465	3.680	10	20	HHCD	
Cc1cccc(-c2nnc(N(C)Cc3ccc(N4CCOCC4)cc3)n2CC(C)C)n1	802664997	JAGNXFDPLFCDFW-UHFFFAOYSA-N	420.561	3.778	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2cccnc2)cc1)C1CCCCC1	803677276	LBDVZJZPKFRASE-QHCPKHFHSA-N	420.557	3.830	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1ccc(N(C)C)cc1	804542968	OWJPECWKYTWLAE-QTGUNEKASA-N	407.558	3.848	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H]1CCCCC1(C)C	806877065	MFWOQQPFABJPJC-MRXNPFEDSA-N	411.340	3.588	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1nc(N2CCCC2)ncc1Cl	807839536	HCBYDPGFODBOHQ-UHFFFAOYSA-N	401.681	3.673	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1[N+](=O)[O-]	809723853	RALNAKNLWIINSY-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2	810348201	JOCZTDVGVWLJCF-UHFFFAOYSA-N	403.526	3.519	10	20	HHCD	
CC(=O)c1ccc(N2CC=C(c3c(C)[nH]c4ccccc34)CC2)c(S(N)(=O)=O)c1	811822493	JOHNDPKRBZUDEA-UHFFFAOYSA-N	409.511	3.620	10	20	HHCD	
CC(C)OCc1nc([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1	812645887	FHGBWBANVSQNTF-QGZVFWFLSA-N	415.538	3.888	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1	813513183	JKPNKAWOHBPGFG-LBPRGKRZSA-N	406.504	3.892	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)C2CC2)cc1	914480566	JJPAVEQCGQQFBQ-UHFFFAOYSA-N	408.498	3.678	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2F)C[C@H](C)O1	917715015	YKZAULUDQCCDAX-STQMWFEESA-N	421.856	3.931	10	20	HHCD	
C[C@@H](COc1ccc(F)cc1F)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	919922122	OHXHVRBYGNZLRV-YJBOKZPZSA-N	420.456	3.829	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cc(N2CCOC2=O)ccc1F	1116778190	XMAFUGYQQHPYLJ-UHFFFAOYSA-N	424.226	3.572	10	20	HHCD	
CN1CCN(c2ccc(CN3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)cc2F)CC1	1117589135	HKRSHSIQDKYFLM-AKFKNWHVSA-N	409.549	3.582	10	20	HHCD	
Cc1ccccc1-c1cc(NC(=O)c2ccc(C3=S=CC=C3)s2)n(CCO)n1	1320017377	GHRGQHBCKQRREM-UHFFFAOYSA-N	409.536	3.790	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cn(-c2ccccc2C(F)(F)F)nn1	1324139276	ASFNPGHBYGEZIE-UHFFFAOYSA-N	408.727	3.728	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2cc(Br)ccc2F)SC1=S	6210112	MESAUWIZYOVVNX-YRNVUSSQSA-N	404.282	3.654	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	65597843	RHZQUXKBFVZAKU-SFHVURJKSA-N	418.541	3.876	10	20	HHCD	
c1cc(N2CCOCC2)ccc1CNCc1csc(-c2ccc3c(c2)OCO3)n1	236624118	CJVZHRUCCLCOSD-UHFFFAOYSA-N	409.511	3.665	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C)cc4C)c(F)c3)CC2)cc1	303455186	MBLUHZUVSYVAGL-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CNC(C)(C)c3ccccc3)cc2F)C[C@@H](C)O1	725800104	ZHORUERYHAZDSM-QZTJIDSGSA-N	413.537	3.580	10	20	HHCD	
CN(C)CCOc1cccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	726093365	HKFVBGWBYKJCRX-UHFFFAOYSA-N	423.513	3.838	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(Br)c(F)c3)CC2)cc1	726561926	ZSEOPZDAEYPAFH-UHFFFAOYSA-N	407.283	3.996	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)CC(=O)Nc3ccccc3C)CC2)cc1	726709543	UDRBNKMINFAFTN-NRFANRHFSA-N	424.589	3.523	10	20	HHCD	
Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	730119988	XENJEGYDOFGOFA-AWEZNQCLSA-N	420.554	3.763	10	20	HHCD	
COc1cccc([C@@H](O)C(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1	732344732	CEAZPTQVIODJHN-HSZRJFAPSA-N	407.466	3.871	10	20	HHCD	
CCS(=O)(=O)C[C@H](C)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	733198481	XVNQXQMTUJYHMA-INIZCTEOSA-N	402.520	3.796	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(CCCc3ccccc3)cc2)c1O	737277972	BBBRTBAJWAFMRR-UHFFFAOYSA-N	418.493	3.831	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cccnc2Cl)nc1-c1cccc([N+](=O)[O-])c1	739382884	RMXRXKNIQSBPPM-UHFFFAOYSA-N	410.864	3.876	10	20	HHCD	
Cc1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C(C)C)n1	742800398	JRLQBIODJTXERU-HNNXBMFYSA-N	404.461	3.909	10	20	HHCD	
CN(C)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F	742804787	BKCJUPLXQVOKCA-OAHLLOKOSA-N	407.436	3.892	10	20	HHCD	
CCOc1ccccc1OCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806213	QLRXADFJWWFORS-MRXNPFEDSA-N	420.456	3.851	10	20	HHCD	
NS(=O)(=O)c1cc(F)cc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1	743151816	UIPBYDQEYAECGS-UHFFFAOYSA-N	421.494	3.546	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	743212602	HIXQXWBAIOZABC-UHFFFAOYSA-N	422.464	3.585	10	20	HHCD	
CC(C)(C)CNC(=O)c1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	743338234	BHERPNZTALSOLW-NRFANRHFSA-N	424.541	3.990	10	20	HHCD	
C[C@H](c1cccnc1)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	743722882	BFXVDKAGADTGBZ-CYBMUJFWSA-N	415.405	3.598	10	20	HHCD	
Cc1ccccc1[C@H](O)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905768	QUTJGJISFFDIDF-OXQOHEQNSA-N	419.472	3.598	10	20	HHCD	
C[C@H](NC(=O)N1CCC(N(C)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	749557881	FSJCZDLLKNETRI-FQEVSTJZSA-N	422.573	3.895	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H](CO)Cc1ccccc1	749665033	NUGVMYLCQODMMP-OAQYLSRUSA-N	402.454	3.760	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)NCCc3cccs3)CC2)c1O	750041912	QTSKUNJGPZZDCU-UHFFFAOYSA-N	420.962	3.881	10	20	HHCD	
CCOC(=O)c1cc(F)c(F)cc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1	752714054	ZILGDDUCHHKDFX-UHFFFAOYSA-N	419.428	3.504	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	754128498	MZTYZBAVYNQWBR-OTWHNJEPSA-N	421.488	3.514	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3cccn(Cc4ccc(F)cc4)c3=O)ccc21	755838041	ROIDPMRZHDSORO-UHFFFAOYSA-N	420.488	3.740	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@](C)(CO)C3CCCCC3)cc2F)C[C@@H](C)O1	755910851	NJQWMPGINJGNOU-QZMQVMSPSA-N	421.557	3.570	10	20	HHCD	
COc1ccc([C@H](CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)N2CCOCC2)cc1	756352084	QAJZOGAGGMJXGN-BEVDRBHNSA-N	400.494	3.751	10	20	HHCD	
O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCOCC2)cc1	756379687	OLVKLIIQKXIOID-LJQANCHMSA-N	409.313	3.616	10	20	HHCD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	758002449	GYBYRPDCFZUCIP-SOUVJXGZSA-N	402.514	3.589	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCCSc1nccs1	759586194	ZUDPCPLAACQBOU-WMZOPIPTSA-N	404.605	3.835	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc(F)cc3Cl)CC2)cc(OC)c1OC	759926850	CUQGXAOUMQVNAS-UHFFFAOYSA-N	423.872	3.859	10	20	HHCD	
COc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2ccccc2n1	761557439	HHEVOYQVOURURF-UHFFFAOYSA-N	411.845	3.567	10	20	HHCD	
CO[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1Cl	763682456	LAXDCNOUKUKEKG-OAQYLSRUSA-N	417.937	3.706	10	20	HHCD	
CO[C@H](CNC(=O)NCc1cccc(Br)c1O)c1cccc(Cl)c1	765525951	HZEHKXIGGHDXRX-OAHLLOKOSA-N	413.699	3.995	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	766894475	UZIYZBLTYYSTND-JLHGSKIFSA-N	415.509	3.535	10	20	HHCD	
Cc1noc(C)c1CN(Cc1ccc(N2CCOCC2)cc1)Cc1c(C)noc1C	769464906	BPRQHADAVXYRFN-UHFFFAOYSA-N	410.518	3.935	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1O	769534280	ZHFPTKUMWLUCJL-INIZCTEOSA-N	411.424	3.522	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(Br)cn2)C2CCCCC2)cc1	773662030	RZFMZKZSKDPJSA-UHFFFAOYSA-N	417.307	3.731	10	20	HHCD	
C[C@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)c(Cl)cc1O	774143861	NOTGXZNBPQULAS-AWEZNQCLSA-N	408.329	3.698	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)cc1	777452776	IGIIQTNIMRHSIB-UHFFFAOYSA-N	417.941	3.729	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)cc1	778557557	PXSIABTVAAYBCA-OUKQBFOZSA-N	405.502	3.562	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCc2c(ncn2-c2ccccc2)C1	779331776	LBHXSKSKOZGZMF-UHFFFAOYSA-N	401.514	3.740	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(NC(=O)CN2CCCCCC2)c1	779511249	SAYYIZUSZWTDCJ-PKNBQFBNSA-N	409.486	3.564	10	20	HHCD	
CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)/C=C/c1ccc(O)c(O)c1	779532778	SSERZUOQRBVYCY-MQDFFIGUSA-N	424.280	3.708	10	20	HHCD	
COc1cc(N(C)Cc2cn(-c3ccc(F)cc3Cl)nn2)cc(OC)c1OC	780775758	YBCRMQAPQAYCCF-UHFFFAOYSA-N	406.845	3.722	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cccc(Cl)c3C)CC2)cc1	782051895	GKDYJZNLGOUOFM-UHFFFAOYSA-N	401.938	3.599	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)NCCCSc2nccs2)C1	782980632	ZZMIGRZUPIDKOT-KGLIPLIRSA-N	414.597	3.760	10	20	HHCD	
COC(=O)[C@@H](Cc1ccc(F)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	783570217	VXWHFAZOJFXULZ-HXUWFJFHSA-N	422.447	3.770	10	20	HHCD	
CC[C@@H](CSc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788933781	XWJCKJJWLBRIMR-IBGZPJMESA-N	411.571	3.590	10	20	HHCD	
O=S1(=O)CCC[C@@H](CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)C1	789908355	PFEIOKHGGHOKNS-WMZOPIPTSA-N	406.573	3.646	10	20	HHCD	
C[C@@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	791985720	YYTAPYYNMBGUPM-LLVKDONJSA-N	422.824	3.628	10	20	HHCD	
COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	797649179	ZTENKNHRYGLGOH-STQMWFEESA-N	408.882	3.918	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2F)C[C@@H](C)O1	798212773	VXOUQTBLIVTVJF-XWYPRVOQSA-N	400.469	3.998	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)c(C)n1-c1ccccn1	800686028	ASWCSBPBGIMBTL-QFIPXVFZSA-N	412.493	3.822	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCc1c[nH]c2ccc(F)cc12	800745369	SPGGMZAFKLJDCG-UHFFFAOYSA-N	424.520	3.918	10	20	HHCD	
Cc1cccnc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	804921885	IGWHAOTZMKIYIQ-IYBDPMFKSA-N	403.523	3.551	10	20	HHCD	
C[C@H](Cc1cncc2ccccc12)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	806509884	GZYKTPMSQKIFEX-LJQANCHMSA-N	417.553	3.939	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc2c(s1)CCCC2(C)C	810351337	KEJPKKSKXGPGLQ-UHFFFAOYSA-N	414.575	3.810	10	20	HHCD	
Cn1cc(/C=C\C(=O)N2C[C@@H]3CCCCN3c3cc(Br)c(F)cc32)cn1	813302801	MDCUQYRPVCPRPR-GXMNPTEKSA-N	419.298	3.741	10	20	HHCD	
CSC[C@@H]1CCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1	813590089	HJIWCNHQPQHLSR-XYJFISCASA-N	409.571	3.724	10	20	HHCD	
Cc1nccnc1CCN[C@@H](C)c1cc(Br)cc(Br)c1O	815651193	MXMROEJFCSBJQY-VIFPVBQESA-N	415.129	3.909	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCc2c(C)nc(SC)nc2O)cc1	818513827	BUAIGRJFGNFLOM-UHFFFAOYSA-N	402.564	3.650	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(-n3ccnc3)nc2)cc1	914455871	FUSBBBACGNSTMO-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
Cc1cc(I)ccc1NC(=O)NCc1ccc(N(C)C)cc1	914689151	HGWZERJQKODOFS-UHFFFAOYSA-N	409.271	3.987	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCS(C)(=O)=O)sc(C)c1-c1ccc(C)cc1	915140938	RLDNHOYGGNQDAC-UHFFFAOYSA-N	409.529	3.582	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1	915831203	CYDLWSSWJMMIIW-UHFFFAOYSA-N	407.474	3.899	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1	916502397	IZBPTGWFWSTCHO-UHFFFAOYSA-N	412.515	3.694	10	20	HHCD	
CCN(CCCNC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C	916587652	SCCUPVZDUTXVJK-UHFFFAOYSA-N	404.555	3.733	10	20	HHCD	
Cc1cc(CCNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c(C)n1-c1ccccc1	918218743	OXFQYCATPWUCOC-UHFFFAOYSA-N	404.514	3.631	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NCc1ccc(OCCOc2ccccc2)nc1	918221779	NZXHRIBFENAOBV-UHFFFAOYSA-N	407.470	3.587	10	20	HHCD	
Cc1cc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c(C)n1-c1cccc(C(C)C)c1	918353449	MSJFTGBQXSBIFT-UHFFFAOYSA-N	419.529	3.945	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCC3)cc2C)cc1	918428898	BGFCALXKZRKQBX-UHFFFAOYSA-N	408.546	3.696	10	20	HHCD	
C[C@H](COc1ccc(F)cc1F)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	919922119	OHXHVRBYGNZLRV-CRAIPNDOSA-N	420.456	3.829	10	20	HHCD	
CCN(CC)Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	919968755	JIGDSCBRUGCTTM-UHFFFAOYSA-N	409.574	3.667	10	20	HHCD	
COCCc1ccccc1NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1255547385	SZDDPTCTZHTCPW-UHFFFAOYSA-N	414.461	3.702	10	20	HHCD	
Cn1cc([C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc2)cn1	1320206659	YHCNVRYZSSBZAM-FYYLOGMGSA-N	420.513	3.606	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21	1324563545	JSYBIOOXZHYATA-SUMDDJOVSA-N	411.498	3.678	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1c(Cl)cccc1Cl	8067948	QCLHWQMQTYNFGD-UHFFFAOYSA-N	409.313	3.804	10	20	HHCD	
COCCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C	23581614	ONZBAQNINIXWOS-UHFFFAOYSA-N	402.495	3.755	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3COc4ccc(Cl)cc4C3)CC2)cc1	108430927	FOIHAQJFBTVGJA-KRWDZBQOSA-N	400.906	3.639	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	140130000	DSPCDKIOPQGWIF-CQSZACIVSA-N	414.449	3.582	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(CN4CCCC4=O)cc3)CC2)cc1	195546991	XZDSYWKIIRUBBE-UHFFFAOYSA-N	422.529	3.562	10	20	HHCD	
Cc1c(Br)cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1C(=O)O	322866015	DRXNOLNAARBSKG-UHFFFAOYSA-N	420.668	3.616	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3ccc(OC[C@H]4CCCO4)cc3)SC2=S)cn1	726196944	HJGMQEJOXDTXSU-RMFUMNGISA-N	415.540	3.867	10	20	HHCD	
COCCCN1CCC(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	727033910	ZMGVAKUQKJQAJU-UHFFFAOYSA-N	416.610	3.756	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2cccc(F)c2)nc1-c1ccccc1	727246253	RFNMUBGIUUQEOR-UHFFFAOYSA-N	406.460	3.927	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1	728467360	ICCGEGXQIJLNKG-OAQYLSRUSA-N	408.608	3.921	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H]2CCCCNC2=O)c(C)n1-c1cccc(Br)c1	728701775	LECACPAMGIILGI-GOSISDBHSA-N	418.335	3.597	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1	728983396	ZIWAJSNPBHFPSO-LBPRGKRZSA-N	416.275	3.840	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1	729066892	RDSQLBLGBBLWIP-SECBINFHSA-N	416.783	3.889	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCCO[C@H](c4ccccc4)C3)CC2)cc1	729879349	CRRFYQHXLRURGZ-QHCPKHFHSA-N	409.530	3.837	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	731624555	CEXWTDGQOIOPFP-FQEVSTJZSA-N	420.538	3.951	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCc1nc(-c2cccc(Cl)c2)no1	734530190	DNWRPTIZNOCIDP-UHFFFAOYSA-N	413.909	3.806	10	20	HHCD	
CN1C(=O)CC[C@@H](C(=O)NCc2ccccc2O)[C@@H]1c1ccc(C(F)(F)F)cc1	734547754	NTNXWSDVYPNFES-APWZRJJASA-N	406.404	3.637	10	20	HHCD	
Cc1ccc(F)c(N2CCC[C@H](N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2=O)c1	735675099	ACDRGCLCCRUAJL-AVRDEDQJSA-N	411.521	3.817	10	20	HHCD	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	735686191	BDVBDCWEZUGEED-UNMCSNQZSA-N	417.594	3.536	10	20	HHCD	
COc1cc(N(C)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc(OC)c1OC	741805518	JMOLPEWPKWXHED-UHFFFAOYSA-N	424.497	3.971	10	20	HHCD	
CC(C)c1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n2ncnc2n1	742423865	YOKOEDCPFITAGG-AWEZNQCLSA-N	402.449	3.930	10	20	HHCD	
Cc1cccc(F)c1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	743554825	LZNHHQGWHVLUNC-IYBDPMFKSA-N	403.473	3.886	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc(NC(C)=O)c1	745440462	IKWWNHDEXWETER-UHFFFAOYSA-N	420.307	3.845	10	20	HHCD	
CCOc1ccc(NC(=O)CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	745780319	WNBBUNAFZDAXLF-UHFFFAOYSA-N	412.534	3.710	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCCc2nc(C)ncc21	745830156	NLANCSKQESUQDY-QGZVFWFLSA-N	419.323	3.862	10	20	HHCD	
CC(C)CN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CCCC1	746154318	RLNRKHVNLOGXAY-KDURUIRLSA-N	419.585	3.956	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c1C	747209916	HERKHVPTMUDELE-UHFFFAOYSA-N	417.509	3.706	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1	749028475	CTVYNSMKWSVIQT-UHFFFAOYSA-N	421.522	3.614	10	20	HHCD	
Cc1cc(N2CCC(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CC2)nc(C)n1	749618737	VMZOPQATHBFGAB-UHFFFAOYSA-N	422.577	3.502	10	20	HHCD	
COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1	753919133	SDCDOWBXYJVGJB-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
Cc1cccc(-n2nnc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2C)c1	754545634	VJFHGWVKGGFZNT-UHFFFAOYSA-N	422.444	3.912	10	20	HHCD	
COc1c(F)ccc(F)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	755199134	BBLSVNZOCYJSFX-CHWSQXEVSA-N	408.420	3.656	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccccc1CCC(F)(F)F	757277225	XNYRILICSMWROQ-UHFFFAOYSA-N	417.478	3.875	10	20	HHCD	
COc1ccc(N(C)CC(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1F	757852122	VAMXSKBGOYDVEM-UHFFFAOYSA-N	400.372	3.528	10	20	HHCD	
CN(c1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1)C1CCCCC1	759016542	DMZDWGTVSFGENW-UHFFFAOYSA-N	417.531	3.983	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)cc1F	759045664	ZPXRATCOFZWLOR-UHFFFAOYSA-N	406.523	3.622	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCOc1cccc(Br)c1	759566855	FDMBYPZAEUWVNF-UHFFFAOYSA-N	416.366	3.766	10	20	HHCD	
C[C@H](C[C@H](O)c1ccco1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	759575929	VRPMIPPHCVOQOY-KDOFPFPSSA-N	423.460	3.661	10	20	HHCD	
COc1cc(Br)cc(CN(C)c2ccc(OCCN(C)C)cc2)c1O	761224327	WQZWYCJYOGIOOF-UHFFFAOYSA-N	409.324	3.740	10	20	HHCD	
Cc1cc(Cl)ncc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	766435933	CWXCWUUDHHSYHZ-UHFFFAOYSA-N	400.910	3.535	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)nc1C	768012333	UOPZPKSLCZGFHU-UHFFFAOYSA-N	412.924	3.798	10	20	HHCD	
Cn1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C(C)(C)C)n1	768944302	JOYDLGKJPAWTSW-UHFFFAOYSA-N	406.477	3.718	10	20	HHCD	
Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)o1	768982110	JYLZJRNMDHZESG-KRWDZBQOSA-N	400.822	3.945	10	20	HHCD	
CCSCc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)no1	769865248	NGCXPXPUQNYCNK-OKILXGFUSA-N	407.511	3.610	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(O)c1	769905005	SRIHARYXVQLJDP-LSDHHAIUSA-N	414.461	3.845	10	20	HHCD	
O=C(CCc1cccc2c1OCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	769967151	HZRILQRWSODZMK-INIZCTEOSA-N	418.440	3.735	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cc(F)ccc1Br	771244957	ZMWPLCCPUJBLTR-UHFFFAOYSA-N	421.310	3.626	10	20	HHCD	
C[C@H](CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)N1CCN(C)CC1	772695940	DMPPZBHZFSQMJD-GOSISDBHSA-N	408.550	3.534	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(Br)ccc2Br)c1	773400893	DRTKUFWEATZCLB-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(CN3CCSCC3)cc2C)c1O	774936246	WKLNWCDFXZYYMS-UHFFFAOYSA-N	403.504	3.778	10	20	HHCD	
Cc1ccc(O)c(CNc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c1	775316160	WPSOOODZFNYXFZ-UHFFFAOYSA-N	402.450	3.988	10	20	HHCD	
CC[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1cc(Br)ccc1O	775488935	KSBVQFWLMAKQKX-QGZVFWFLSA-N	412.349	3.810	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@](O)(c4ccc(F)cc4)C3)ccc21	776991487	NABYDQUEEUKIES-DEOSSOPVSA-N	410.489	3.777	10	20	HHCD	
Cc1ccc(C(=O)N(Cc2ncc(-c3ccc4c(c3)OCO4)[nH]2)C(C)C)c(O)c1O	780940348	UHDUOUPLYCJRDC-UHFFFAOYSA-N	409.442	3.576	10	20	HHCD	
COc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782897611	ZBTPOWYECQIMMM-UHFFFAOYSA-N	400.450	3.840	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1	783933086	WHQMJYXOYCKVBG-UHFFFAOYSA-N	404.555	3.589	10	20	HHCD	
O=C(COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(O)c(O)c1	787249537	ZOPZRNZNLKWGFB-UHFFFAOYSA-N	423.377	3.625	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(S(C)(=O)=O)s2)c(C)n1-c1ccc(F)cc1	787518476	OKGJSHUVYQGAEP-UHFFFAOYSA-N	406.504	3.628	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccc(C2CCC2)cc1	787575121	GGEHRZFIJUYHJY-UHFFFAOYSA-N	403.276	3.677	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1C	789728782	XLZLHODRZAUOCX-UHFFFAOYSA-N	406.533	3.645	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)c(C)c1F	789757532	OEKREWSPUGOYJN-UHFFFAOYSA-N	423.282	3.980	10	20	HHCD	
CC(C)CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)C	789855158	KTUBCKYFUKKWCT-HXUWFJFHSA-N	419.635	3.823	10	20	HHCD	
CC(C)Oc1ncccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	790290191	FEJIVSRXTYNEGM-IYBDPMFKSA-N	401.482	3.552	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(NCC3CC3)nc2)cc1	791338839	BRNGXRHILLFBGF-JOCHJYFZSA-N	408.546	3.791	10	20	HHCD	
Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1N1C(=O)CNC1=O	794264353	AXOTYMKMSOLUAC-UHFFFAOYSA-N	420.444	3.850	10	20	HHCD	
COc1ccc(CNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)c(O)c1	794377236	PNPOGILSXVEKPK-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCc3ccc(SC)cc3)CC2)cc1F	798096269	GRQTVSISGJLTPN-UHFFFAOYSA-N	403.523	3.631	10	20	HHCD	
CNc1cc(-n2nc(C)cc2NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ncn1	798237517	LEYYCHHLQCRFBW-UHFFFAOYSA-N	401.474	3.672	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1	799531550	SIKJDLJBIQPMFV-UHFFFAOYSA-N	419.312	3.750	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(Cl)n1	800924806	GMUZLXSDBUGYLA-UHFFFAOYSA-N	409.876	3.696	10	20	HHCD	
Cc1cccc(CCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	805760062	BBNQQPLLGIIHGX-UHFFFAOYSA-N	418.488	3.892	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1	806459691	XNXIZHAMMPRICZ-ZBFHGGJFSA-N	400.441	3.616	10	20	HHCD	
Cc1csc([C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C2CC2)n1	807625863	MEBIQMJSTFNBFC-LJQANCHMSA-N	414.575	3.522	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837681	ADFBICUVWBQVHI-IUZNHRGFSA-N	403.331	3.573	10	20	HHCD	
Cc1cc(Br)cc(CN[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1O	809723048	PQEOPCWQNCVHNE-CQSZACIVSA-N	423.273	3.886	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@]2(CCc3ccccc3O2)C1	811864789	LPHXKJYCZRFBJC-DEOSSOPVSA-N	423.582	3.919	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@H]3OCCc4sccc43)CC2)cc1	813865941	BEGFZAXLXDHOEG-IIBYNOLFSA-N	415.559	3.681	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C3(Cc4ccc(F)cc4)CCOCC3)CC2)cc1	814211179	RYKSCTVKZZIPAX-UHFFFAOYSA-N	412.505	3.522	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cn2)cc1C	918246033	JYAMUSIQMFXDKN-UHFFFAOYSA-N	418.497	3.812	10	20	HHCD	
CCSc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccn1	919692985	WAXYLRRHJZESFV-GASCZTMLSA-N	403.523	3.876	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1	920252758	OTAONCWGYGVKHT-QHCPKHFHSA-N	406.574	3.943	10	20	HHCD	
CCc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1Cc1ccccc1	920882111	OLAXJBLJJYJBLU-LJQANCHMSA-N	418.541	3.821	10	20	HHCD	
Cc1cc(Cl)cc(C)c1NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1118517240	TXWFBOMSOBEYLY-UHFFFAOYSA-N	421.950	3.513	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C(=O)c3cccn3C)CC2)c1	1261757264	KWMKNPKUKQJFKH-UHFFFAOYSA-N	424.932	3.684	10	20	HHCD	
CCS(=O)(=O)c1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	1324864858	SDWSKAICDJDIGF-UHFFFAOYSA-N	403.504	3.991	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)c(C)c2)CC1	542058152	IRRAGBHPNOHCGF-UHFFFAOYSA-N	423.561	3.634	10	20	HHCD	
Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cnn1C(C)(C)C	726568065	UWCSHMJCOCEDQW-UHFFFAOYSA-N	406.477	3.947	10	20	HHCD	
O=C(NCc1cc(-c2ccccc2)on1)N(Cc1ccccc1O)C[C@H]1CCCO1	726853299	YVMBOLGVLIVOOJ-HXUWFJFHSA-N	407.470	3.938	10	20	HHCD	
Cc1oc(-c2ccsc2)nc1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	726917694	KMSHEOOATIJWMU-UHFFFAOYSA-N	415.490	3.546	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C(=O)c2ccc(Cl)cc2)cc1	727103916	OSTVICRXBUTYGT-HXUWFJFHSA-N	400.906	3.797	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1	727177115	BXMZHQUVRNBKMS-MDWZMJQESA-N	410.929	3.544	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1	728950539	RZPIOGBTYPRQQR-ZIAGYGMSSA-N	405.445	3.566	10	20	HHCD	
O=C(NCc1ccccc1)c1cc(=NCc2ccc(N3CCSCC3)cc2)cc[nH]1	732804233	XAINXCHRXRWRFY-UHFFFAOYSA-N	418.566	3.599	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)c(C)n1-c1ccccc1Br	736585255	CBPBSAUWZSTQJJ-SUXZAAGHSA-N	423.376	3.838	10	20	HHCD	
CCN(CC)c1ccc(/C=C(\C(=O)NCCOC)c2nc3ccccc3[nH]2)cc1F	739426384	LIMDUNKTOPXUKJ-VKAVYKQESA-N	410.493	3.851	10	20	HHCD	
COc1ccc(N(Cc2ccco2)C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1F	739926958	XXHLSWRNKLRWFS-FQEVSTJZSA-N	419.474	3.571	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2cnn(C)c2)c(C)n1-c1cccc(Br)c1	741318433	HWEMJKCAHDECSJ-UHFFFAOYSA-N	416.275	3.630	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)cc1F	742252587	IIAJAZLSDUXNTL-NRFANRHFSA-N	413.537	3.579	10	20	HHCD	
CC(=O)N1C[C@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)Oc2ccccc21	742417033	PIESGLVDVIARPX-XMMPIXPASA-N	421.541	3.886	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2sccc2C)nc1-c1ccccc1	743046177	DHLMEZZDRIJIRR-UHFFFAOYSA-N	408.526	3.696	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1C	743046705	NEQHXVQLBZXFGV-UHFFFAOYSA-N	423.541	3.779	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Oc2ccccn2)cc1	743958404	VJHIYBIOCLKNBQ-UHFFFAOYSA-N	417.465	3.713	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](c1ccco1)N(C)C	745283745	BMYPKDCUJGAFKY-OAHLLOKOSA-N	410.312	3.582	10	20	HHCD	
CN(CCc1ccncc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903046	BKCFWYDYBOFMDX-KRWDZBQOSA-N	404.461	3.536	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2ccccn2)no1	746314794	YQJDVCRZBVMJIX-AWEZNQCLSA-N	414.412	3.737	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ncn(Cc4ccccc4)n3)c2C)cc1	746516796	AYHICXMAGIULJY-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
Cc1nc(C(C)C)nc(O)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	747378216	FMCUYWRFLWKXJO-UHFFFAOYSA-N	420.460	3.614	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1	747456454	JJOJZONGSVXCII-UHFFFAOYSA-N	416.465	3.905	10	20	HHCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1	749305197	HDBJSDCWVQYBMN-BWLWAFFFSA-N	411.332	3.580	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C3CCN(C(C)C)CC3)CC2)c(C)n1-c1ccccc1	749461342	VSUBYZVEAXADNG-UHFFFAOYSA-N	422.617	3.767	10	20	HHCD	
COc1cc(C2(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CCC2)ccc1C	749500330	UYXTYHYDJLFSCR-UHFFFAOYSA-N	412.505	3.717	10	20	HHCD	
COc1ccccc1N1CC[C@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1	749929988	BEMMOLWQUVXYSQ-HXUWFJFHSA-N	408.546	3.621	10	20	HHCD	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	752957804	KYIMXWWVNZRJQS-MOPGFXCFSA-N	422.520	3.525	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2(c3ncon3)CCOCC2)cc1	753471637	GZPUDNSHOXPFDW-UHFFFAOYSA-N	420.473	3.987	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(OC(F)(F)F)c1	753861407	JCDMXYHPTOAGFT-HNNXBMFYSA-N	423.435	3.982	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)/C=C\SCc3ccco3)cc2F)CC1	754236339	NBXRPSLDKOKADS-QPEQYQDCSA-N	403.523	3.624	10	20	HHCD	
CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cn1	754452625	CLNVCSMNSDAKSO-CHJDUVSTSA-N	424.570	3.565	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2CSCCS2)cc1	756052824	KFTMLRJAUDKJFB-IBGZPJMESA-N	405.589	3.906	10	20	HHCD	
C[C@H](NCCCN1CCN(c2ccncc2)CC1)c1ccc(Cl)c(Cl)c1O	756511585	PMRFSKLVGSDBBW-HNNXBMFYSA-N	409.361	3.957	10	20	HHCD	
C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)cc(Cl)c1O	756711587	LMLKTQHNQOZCBH-CPCISQLKSA-N	415.637	3.622	10	20	HHCD	
CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)s1	758162481	MUKAKYDXSMLRHD-SSDOTTSWSA-N	409.316	3.758	10	20	HHCD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1	759368638	JHGISPMEMNIPET-INIZCTEOSA-N	400.906	3.702	10	20	HHCD	
COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccc(Cl)c(F)c1	760080941	PHSAXNXNDQVJTI-IBGZPJMESA-N	415.852	3.926	10	20	HHCD	
CN(C)Cc1ccsc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761982474	MCFOUKSMGUQUNV-KRWDZBQOSA-N	407.967	3.563	10	20	HHCD	
Cc1nc(-c2ccccc2)ncc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	764629413	OLMAHORJZSPPGD-UHFFFAOYSA-N	402.498	3.561	10	20	HHCD	
C[C@@H](O)C[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1ccccc1	765536867	SZBITYHZVMGMGU-CJNGLKHVSA-N	407.308	3.509	10	20	HHCD	
CCN(CC)CCOc1ccc(C(=O)NCc2cccc(Br)c2O)cc1	765771338	ZZZMFLMXFVVVGW-UHFFFAOYSA-N	421.335	3.805	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3cccc(-c4cnn(C)c4)c3)c2)CC1	767382636	RBEPREUNKXGLNW-UHFFFAOYSA-N	403.530	3.870	10	20	HHCD	
Cc1c(Cl)cccc1NC(=S)NNc1nc(O)c2cnn(C(C)(C)C)c2n1	769796547	WREIXQFQQKAGFW-UHFFFAOYSA-N	405.915	3.562	10	20	HHCD	
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl	770635238	ALCMUMQPJYHZBM-UHFFFAOYSA-N	423.965	3.743	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@H](C[C@@H]4CCOC4)C3)CC2)cc1	774194614	YKQCPGWHXBMEEZ-MOPGFXCFSA-N	401.551	3.512	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)n2)cc1	775140406	XRTQSYLQIPIRSY-UHFFFAOYSA-N	402.423	3.678	10	20	HHCD	
CC[C@H](N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cc(Cl)ccc1O	775528417	YDQORBOHGGSPIO-RBUKOAKNSA-N	404.894	3.909	10	20	HHCD	
O=C1[C@H](NCc2cc([N+](=O)[O-])ccc2O)CCCN1Cc1cccc(C(F)(F)F)c1	776950957	VQZLMWSSUYMWBN-QGZVFWFLSA-N	423.391	3.600	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2C)cc1	777287063	IZSWOBWLHWMDHL-UHFFFAOYSA-N	404.514	3.598	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@]23CCOC3=O)c(C)n1-c1ccc(OC(F)F)cc1	778244882	LGKGMIWJRHYJLY-JOCHJYFZSA-N	418.440	3.660	10	20	HHCD	
COc1cc(Br)cc(CN(C)c2cc(OC)c(OC)c(OC)c2)c1O	780775701	XHTKVDQLBTTZBP-UHFFFAOYSA-N	412.280	3.826	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1	783937553	CYASJSNAAHHLGN-YSIASYRMSA-N	416.566	3.587	10	20	HHCD	
CCCCN1CCc2ccc(NC(=O)C(=O)N(CCC)Cc3ccccc3O)cc21	784031019	WEIGADRDAIGYRV-UHFFFAOYSA-N	409.530	3.932	10	20	HHCD	
C[C@@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1O	788692377	RCIKPJCSWKMIIU-CQSZACIVSA-N	408.420	3.985	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2)c2nccs2)cc1	788951425	KBNVLNPQZZKXCU-FQEVSTJZSA-N	422.554	3.511	10	20	HHCD	
Cc1cc(C(=O)N2CCn3cnnc3[C@@H]2C)c(C)n1-c1ccc(Br)cc1	791162680	YMQLYDCRBCJQER-AWEZNQCLSA-N	414.307	3.665	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccnc3c2ncn3C)c(C)n1-c1cccc(F)c1	805671650	WXDUHBDCJFFNTJ-UHFFFAOYSA-N	406.417	3.555	10	20	HHCD	
Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)NCCCSc1nccs1	805882157	SMYSMASDYOQRBQ-KRWDZBQOSA-N	405.589	3.954	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)n2)c(C)o1	806986009	GDRFUOGAAWFDFM-ZDUSSCGKSA-N	412.515	3.902	10	20	HHCD	
Cn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(-c2ccc([N+](=O)[O-])cc2)n1	807837666	ZRWXARXUSYHTMY-UHFFFAOYSA-N	421.240	3.938	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C)c1NC(=O)c1ccncc1	808094969	MGDPDXRBOSMTEK-UHFFFAOYSA-N	410.470	3.764	10	20	HHCD	
COC(=O)Cc1occc1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	811495137	FAZBEDOBHNRBFM-AWEZNQCLSA-N	404.894	3.815	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNc3nccc(C(N)=O)c3[N+](=O)[O-])cc2Cl)C1	811843715	ZNOANRWZTWVNEZ-LBPRGKRZSA-N	403.870	3.591	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(C(C)C)n3C[C@H]3CCCCO3)CC2)cc1	812438861	SHELRICWLJOAQD-OAQYLSRUSA-N	413.566	3.696	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2O)cc1	815564274	DSSBZCQSNCROAQ-NWDGAFQWSA-N	402.438	3.731	10	20	HHCD	
O=C1c2ccccc2N[C@@H](c2c(O)cccc2Br)N1C[C@H]1CCCO1	877845296	GBEDTCSWHBEPIG-KZULUSFZSA-N	403.276	3.900	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1	917019403	FBAYTCFQLTXNGI-JOCHJYFZSA-N	408.590	3.607	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CCCCC1	917056913	CCHMXTHOYFPJJO-ROUUACIJSA-N	405.558	3.710	10	20	HHCD	
Cc1nc2ccc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2s1	918027142	YTXAWZAOVLLJFA-INIZCTEOSA-N	423.542	3.628	10	20	HHCD	
CCC(CC)[C@@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)N1CCCC1	918065915	ZHHACIXOGSBDMV-HSZRJFAPSA-N	416.610	3.818	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC	918207648	HJUFDHUGWVCWFY-IBGZPJMESA-N	401.482	3.621	10	20	HHCD	
COc1cc(F)cc(F)c1S(=O)(=O)Nc1nc(-c2sc(C)nc2C)cs1	1318995697	WAJWLMTYUDZTEH-UHFFFAOYSA-N	417.484	3.971	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1COc2ccc(F)cc2C1	1319668960	RCNPKBQJJUZMBR-AWEZNQCLSA-N	408.267	3.894	10	20	HHCD	
O=C1NCCN(Cc2ccc(N3CCCC3)cc2)[C@H]1c1cccc(Br)c1	1320510311	VLMOASBDXMXRMQ-FQEVSTJZSA-N	414.347	3.722	10	20	HHCD	
Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NCc2ccc(N(C)C)cc2)c1	24378478	WBTABPRCHPZXBD-UHFFFAOYSA-N	409.559	3.667	10	20	HHCD	
Cc1cccn2cc(CC(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)nc12	261385415	HIPAMSJWAMKGIC-UHFFFAOYSA-N	404.436	3.842	10	20	HHCD	
COc1cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1OC	301863930	AWAJASJQNAGSBC-GOSISDBHSA-N	423.263	3.952	10	20	HHCD	
CCc1nnc(-c2ccc(NC(=O)c3ccc(NC(=O)C4=S=CC=C4)cc3)cc2)o1	467502646	NJFXFRZQVSUXNI-UHFFFAOYSA-N	418.478	3.767	10	20	HHCD	
Cc1nc(CN2CCCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)cs1	472223198	NLYXHTXTNAKKRY-UHFFFAOYSA-N	411.575	3.669	10	20	HHCD	
CCc1nc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cs1	726618482	DAAUKSNYRMRVBR-UHFFFAOYSA-N	424.517	3.818	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cccc4c3OCCCO4)SC2=S)cn1	726986742	WOJSNPZRGYWCIU-XNTDXEJSSA-N	400.481	3.657	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c1	728947506	ZRJFHNPVTMJTNF-HNNXBMFYSA-N	420.469	3.609	10	20	HHCD	
CC[C@@H]1c2ccsc2CCN1C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	732203587	XNCPTXFURKPHOL-AZUAARDMSA-N	414.571	3.971	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2ccc(F)cc2)C2CC2)c1	732491556	FUINNHNFIBFDPI-UHFFFAOYSA-N	412.505	3.731	10	20	HHCD	
CCN1CCN(C[C@H](C)CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	733170488	NULOKWNSFPDBDQ-QGZVFWFLSA-N	416.997	3.751	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	733803974	UBIPHSLZWAIFOS-HZSPNIEDSA-N	404.486	3.605	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(N2CCOCC2)cc1	734166775	DWOLWPQFROMSRH-RDPSFJRHSA-N	422.573	3.548	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCN1CCN(c2ccccc2)CC1	742242813	MSEBNDJLYIVMEM-UHFFFAOYSA-N	420.601	3.848	10	20	HHCD	
C[C@@H]1CCCN([C@H](C)CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	743605746	VJACRWXLZGCLJL-KZNAEPCWSA-N	424.536	3.676	10	20	HHCD	
O=C(CCn1c(S)nnc1-c1cccs1)NCc1c(O)ccc2c1CCCC2	743719599	KEHLEKXDKRNEKD-UHFFFAOYSA-N	414.556	3.586	10	20	HHCD	
CN(CCOc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745906515	QQMHSRWRUQXQAW-QGZVFWFLSA-N	419.472	3.977	10	20	HHCD	
C[C@@H](NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)c1ccc(N2CCOCC2)cc1	746169203	UMPLWVIEOLGWGO-QVKFZJNVSA-N	419.928	3.796	10	20	HHCD	
C[C@H](NC(=O)NCC[C@H](C)N(C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1	746758891	ZJPXDAQZQBXVKX-SFTDATJTSA-N	424.589	3.794	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2N2CCCCCC2)cc1F	747011647	FJKMWIXJRYDUIB-UHFFFAOYSA-N	412.509	3.527	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1	748934044	MNGCYVSIPGNWDZ-UHFFFAOYSA-N	402.497	3.863	10	20	HHCD	
CCCCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1(C)C	748958471	FOIHBBWPZUYUQS-LEWJYISDSA-N	421.557	3.570	10	20	HHCD	
CN1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21	750780861	WJYSMSCIBNDWHM-UZLBHIALSA-N	415.484	3.997	10	20	HHCD	
CN(C)c1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c(F)c1	751885915	CKJHNMPMUBVKKF-UHFFFAOYSA-N	420.488	3.636	10	20	HHCD	
CCS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	752088102	IQYWNZJLOULHPO-UHFFFAOYSA-N	417.458	3.761	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCS(=O)(=O)[C@@H]4CCCC[C@H]43)c2C)c1	753692273	QZQVBZILWZKBOV-NHCUHLMSSA-N	400.544	3.584	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(Oc4ccncc4)c3)CC2)cc1F	753742653	VCTOGNDFPUOHSN-UHFFFAOYSA-N	407.445	3.984	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(C)cc2N2CCOCC2)cc1	753856803	DJJLOEMXKFOPMF-UHFFFAOYSA-N	410.562	3.677	10	20	HHCD	
C[C@@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1ccc(Br)cc1O	756433688	FZHBCXBPUIMJGA-MRXNPFEDSA-N	418.379	3.753	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)[C@@H](c1ccc(C)cc1)n1cncn1	756702388	NZXQJLAKWMQAMA-XZOQPEGZSA-N	420.561	3.828	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c1	758343491	MNDRYFMGEUOUBB-LJQANCHMSA-N	419.319	3.617	10	20	HHCD	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCCCSc1nccs1	758622794	WEUYUKOKKLRNFE-UHFFFAOYSA-N	408.549	3.548	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H](C)c3ccc(C)cc3)CC2)cc(OC)c1OC	759215977	KRDXGONMFGGEIZ-KRWDZBQOSA-N	413.518	3.614	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1ccccc1C(=O)c1ccccc1	759592567	LKYJOEOXJZYHKG-ACCUITESSA-N	417.417	3.524	10	20	HHCD	
Cc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccn1	760840755	LLYVBYDYHVLADT-UHFFFAOYSA-N	404.392	3.712	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(CN4C(=O)CCCC4=O)cc3)CC2)cc1	760896258	FUCXBARYFHEESH-UHFFFAOYSA-N	407.514	3.815	10	20	HHCD	
COc1cc(C)c([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC	761029631	CUNMPPHGRGJPNK-ZDUSSCGKSA-N	418.877	3.897	10	20	HHCD	
O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1Cc1ccc(N2CCCC2)cc1	761090043	IJWNLLOVQOKZMI-SFHVURJKSA-N	414.303	3.842	10	20	HHCD	
CCO[C@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C12CCC2	764353116	KYTKDYYKDDULEW-SFTDATJTSA-N	401.551	3.653	10	20	HHCD	
O=C(NCc1coc(-c2cccs2)n1)NCc1cccc(Br)c1O	764756404	COQCJYVUMWSTMM-UHFFFAOYSA-N	408.277	3.871	10	20	HHCD	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCc1cccc(Br)c1O	765259223	MUVMEKXDMXLVAW-UHFFFAOYSA-N	420.307	3.923	10	20	HHCD	
COc1ccc(N2CCC(NCc3ccc(N4CCC(CO)CC4)cc3)CC2)cc1	765298490	UUPGJKVHSMLKNK-UHFFFAOYSA-N	409.574	3.663	10	20	HHCD	
COc1cccc(CC(=O)N2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)c1	769134664	NLPBRPHTKGWKBR-UHFFFAOYSA-N	409.313	3.595	10	20	HHCD	
CN(CC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1)C(=O)OC(C)(C)C	769335897	SGESCDQMRSTVMJ-UHFFFAOYSA-N	403.567	3.602	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCN(c2ccccc2Cl)C1=O	769401520	LHCZFDPTRUOYEK-NRFANRHFSA-N	417.912	3.553	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(OCC(F)(F)F)c3)CC2)cc1	770156107	XRNUMLFDQVFHBV-UHFFFAOYSA-N	408.420	3.989	10	20	HHCD	
COc1ccc(-n2nc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2C)cc1	770712161	WRUNNUBSPSATEL-SFHVURJKSA-N	420.513	3.517	10	20	HHCD	
Cc1cc2c(N3CCC[C@H]3C(=O)N(C)Cc3ccc(N(C)C)cc3)ncnc2s1	770754589	ROMJWUNNXQOBRM-IBGZPJMESA-N	409.559	3.693	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ccc(S(=O)(=O)C(F)F)cc2)cc1	771256678	FOECSMVADTZDKQ-LJQANCHMSA-N	424.513	3.935	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2	772797056	BZXOCPCVPYJQLH-LBPRGKRZSA-N	421.291	3.733	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(Cc2cccc(F)c2)CCC1	772910341	IZSXDMKNSRPOKS-UHFFFAOYSA-N	400.469	3.831	10	20	HHCD	
COc1cc(C)c(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1F	773211164	MPYGASWCTHRIAB-UHFFFAOYSA-N	412.417	3.609	10	20	HHCD	
COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1nccn1C	773621437	YVOCDGJJNAVSTI-IERDGZPVSA-N	407.518	3.645	10	20	HHCD	
CCOC1CC(CN[C@H](C)c2ccc(N3CCCCC3)cc2)(N2CCOCC2)C1	774475477	JNDNOSJSXPVXBP-QUVATAORSA-N	401.595	3.597	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1	775374759	DQOGRINVEMOVEM-GJZGRUSLSA-N	400.475	3.644	10	20	HHCD	
CC[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(Cl)c(Cl)c1O	775523269	HVQDLIYGABRAIR-ZWNOBZJWSA-N	424.371	3.636	10	20	HHCD	
Cc1ccc(CNC(=O)c2nnc(CN[C@H](C)c3ccc(N(C)C)cc3)s2)cc1	775834703	PDBBCSDDIAVZNL-MRXNPFEDSA-N	409.559	3.693	10	20	HHCD	
O=C(NCCNc1cccc(Br)c1)NCc1ccc(N2CCCC2)cc1	779333223	ZAVMEQNBQTVYQF-UHFFFAOYSA-N	417.351	3.961	10	20	HHCD	
C[C@@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	781943075	LMUUPPRLVDMMLT-GOSISDBHSA-N	409.534	3.818	10	20	HHCD	
CN1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c2ccccc2C1=O	782348984	WTZQUGJWKLJOEZ-QHCPKHFHSA-N	417.509	3.744	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccnc2-c2csc(C)c2)c1	782543580	FCKIKTHOZBWZCO-ZDUSSCGKSA-N	411.483	3.649	10	20	HHCD	
CCN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785100300	RKJGDAKIJBYXMD-INIZCTEOSA-N	408.380	3.812	10	20	HHCD	
Oc1c(F)cc(Cl)cc1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1	786578306	GCNJJLLQUHLMTD-UHFFFAOYSA-N	410.824	3.767	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3coc4cc(C)c(C)cc34)cc2)CC1	786659148	JHVUXBIMZICHSS-UHFFFAOYSA-N	405.498	3.648	10	20	HHCD	
COC(=O)c1cncc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c1	788545219	SKDFVXWRZURWCO-UHFFFAOYSA-N	421.525	3.514	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1O	788906207	LSMKZMIHNHGIKJ-CQSZACIVSA-N	410.301	3.786	10	20	HHCD	
CCC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)sc2C1	789535357	STAKOKUFDHYJGV-MRXNPFEDSA-N	424.570	3.679	10	20	HHCD	
Cc1cc(F)cc(-n2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)nn2)c1	789881643	RISBWNKZDSOHES-UHFFFAOYSA-N	407.493	3.977	10	20	HHCD	
CCc1[nH]nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1Br	789980834	YSZXOWZBIHUTQP-UHFFFAOYSA-N	404.264	3.876	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3scc(C)c3Br)CC2)cc1F	792603717	RSXXUQPTMTWQFX-UHFFFAOYSA-N	413.312	3.929	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c(O)c1	792804215	MVGZIJOZNMVDLM-MRXNPFEDSA-N	407.470	3.935	10	20	HHCD	
Fc1ccc(I)c(F)c1CNCc1ccc2c(c1)CCO2	792950585	KZQHZKVGPYNNSX-UHFFFAOYSA-N	401.194	3.794	10	20	HHCD	
CCN(CC)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1	796697497	XJMNZNKVMOEDGC-DUXKGJEZSA-N	405.583	3.941	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc1F	804852547	KGGVKEGHKIMEHW-AWEZNQCLSA-N	421.463	3.786	10	20	HHCD	
CC[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cccc(Cl)c1O	806154350	FOVFLRYRTZBBJQ-LJQANCHMSA-N	403.910	3.880	10	20	HHCD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	806870990	QUXNVGNGUWXCDI-QZTJIDSGSA-N	406.482	3.822	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)CCc1cccc2ccccc12)c1ccc(N(C)C)cc1	807675779	AKLLSDBTNCVAPA-GOSISDBHSA-N	403.526	3.784	10	20	HHCD	
COCCOCc1ccc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	808382186	VOCFSSLTABWENB-OALUTQOASA-N	416.537	3.892	10	20	HHCD	
CC[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1O	810240861	HNZCUNBGOHJYLA-HIFRSBDPSA-N	400.363	3.715	10	20	HHCD	
COc1cccc(C(=O)CCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	815860601	SORLCRITPDUDQY-OAQYLSRUSA-N	411.498	3.962	10	20	HHCD	
Cc1cc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)on1	913359848	FEQXMGWZBRONJF-ZROIWOOFSA-N	408.526	3.769	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1	916375079	HAEFABPQNMXCCP-UHFFFAOYSA-N	402.583	3.711	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2cc(Br)cn2)cc1	917096173	ZNONIZZJFWJKBU-UHFFFAOYSA-N	417.307	3.534	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCCc4occc43)cc2F)C[C@@H](C)O1	918210279	LHXPMRHIFIQPKL-KHYOSLBOSA-N	401.482	3.909	10	20	HHCD	
O=C(NCCc1ccc(Cl)s1)NCc1ccc(N2CCC(CO)CC2)cc1	918217048	XZIIIMPJTBEXSF-UHFFFAOYSA-N	407.967	3.652	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1	918444023	NDPPQRJEKSGTFQ-UHFFFAOYSA-N	418.453	3.633	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCCN(C)c1ccccc1	919782509	YPHOFUBTSJOSEI-UHFFFAOYSA-N	410.562	3.581	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)CCC4)C2=O)cc1	920472205	KSUXHSKHJXVIOJ-WQRHYEAKSA-N	415.561	3.985	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCC(=O)NCC(=O)c2ccccc2)c1	1318283710	RJKVWKGIOZQMCJ-UHFFFAOYSA-N	424.884	3.903	10	20	HHCD	
COc1cc(NCc2ccc(N3CCCC3)cc2)ccc1S(=O)(=O)N1CCCC1	1320201519	ZJPJGTVMKODSLR-UHFFFAOYSA-N	415.559	3.692	10	20	HHCD	
CN1CCN(c2ccc(/C=C/c3nc(-c4ccccc4)ncc3C(=O)O)cc2F)CC1	1321683834	AYIDPTRMVUHHQN-VQHVLOKHSA-N	418.472	3.903	10	20	HHCD	
Cc1cc(-c2nnc([C@@H]3CCCCN3S(C)(=O)=O)o2)c(C)n1-c1ccccc1	1345674144	PXPIVCZRGQDMMW-SFHVURJKSA-N	400.504	3.631	10	20	HHCD	
CC1=CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)CC1	1789111505	AMLNGQJNHRDIPC-INIZCTEOSA-N	421.497	3.987	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cccc(NS(C)(=O)=O)c3)c2C)c1	10547551	XGCZKKLMOAODGJ-UHFFFAOYSA-N	411.527	3.704	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(OCC(F)(F)F)nc1	54035814	AJPOYSYZHIGQED-UHFFFAOYSA-N	411.449	3.506	10	20	HHCD	
Cc1c(CNC(=O)NC2CCN(CCc3ccccc3)CC2)n(C)c2ccccc12	471608761	FUPDHGLJNAFVTM-UHFFFAOYSA-N	404.558	3.993	10	20	HHCD	
CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1c(C)c2ccccc2n1C	473266285	VHRXLILKZKYQTB-FQEVSTJZSA-N	423.582	3.963	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cc(C)c(C)cc3O)C2)cc1	725785414	YTMNPUADGGUBRH-LJQANCHMSA-N	402.560	3.508	10	20	HHCD	
Cc1csc(-c2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2)n1	726284954	JTTIORSIPPOUNJ-UHFFFAOYSA-N	420.538	3.974	10	20	HHCD	
C[C@@H](Oc1cccc(F)c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726567810	PUZLMPYVMGXMMX-CQSZACIVSA-N	408.420	3.980	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)C(C)(C)CO)c(C)n1-c1ccc(OC(F)F)cc1	726667676	KXJGBIFKOMLTFE-CQSZACIVSA-N	409.429	3.828	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)c1	726797040	VWAKNFQCQCDGBC-NRFANRHFSA-N	418.405	3.679	10	20	HHCD	
Cn1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)Cc3ccccc3-4)cs2)n1	727248603	JKDNUCVNCXGMSX-UHFFFAOYSA-N	408.508	3.916	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2ccccc2OC)cs1	727250320	ILWZRRLBMWDCKL-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
Cc1cc(O)c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1C(C)C	728195992	MZKMSLXZYRRNQI-UHFFFAOYSA-N	403.504	3.752	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nn3)SC2=S)cc1	728695675	BWDUMEXICWWUBY-PDGQHHTCSA-N	407.524	3.739	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(OCc3ccccn3)c2)c1	728945899	OVQIOBBRAHJMQS-INIZCTEOSA-N	407.470	3.935	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCCC[C@@H]3c3ncc[nH]3)cc2F)C[C@@H](C)O1	730119456	KZVHFIRGNQQSRH-JXXFODFXSA-N	415.513	3.599	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C3CCCC3)cc2F)CC1	730135099	QZCCDSTXYLBMIN-OAQYLSRUSA-N	402.558	3.832	10	20	HHCD	
O=C(c1cc(Cl)c2c(c1)OCCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1	731859115	RUWYJADAJVZZNZ-INIZCTEOSA-N	403.862	3.638	10	20	HHCD	
CCOC(=O)[C@]1(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CCc2ccccc21	733783347	HMMYVWLEBCBFOW-DEOSSOPVSA-N	403.482	3.624	10	20	HHCD	
COc1ccc(CN2CC[C@H](NC(=O)c3sccc3-n3c(C)ccc3C)C2=O)cc1	734467398	YJMYERPMODSCJS-IBGZPJMESA-N	423.538	3.695	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCCCNC(=O)NC2CCCCC2)c1	734548889	NXESMZAVQHBMTH-MRXNPFEDSA-N	405.539	3.770	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1	734687590	KXTZJAKWNYKPTH-UHFFFAOYSA-N	418.582	3.850	10	20	HHCD	
C[C@H]1Cc2cc(S(=O)(=O)NCCCSc3nccs3)cc(Cl)c2O1	736338499	YIQLOFYMGVRJAU-JTQLQIEISA-N	404.966	3.581	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC(C)(C)c3nc(C)c(C)s3)CC2)cc1	737049019	JRPWVCJGGZAIND-UHFFFAOYSA-N	402.564	3.972	10	20	HHCD	
CN(c1ccc(CNC(=O)CCNC(=O)Cc2ccccc2)cc1)C1CCCCC1	742417027	OXCKGNSPARHUNZ-UHFFFAOYSA-N	407.558	3.821	10	20	HHCD	
COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-]	742802061	WHQFONVXBVEHCL-AWEZNQCLSA-N	421.400	3.604	10	20	HHCD	
Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccc(N4CCCC4)cc3)C2=O)cc1	743551930	JBEMNAIWERAUES-QFIPXVFZSA-N	406.530	3.590	10	20	HHCD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)NCc1ccc(N2CCSCC2)cc1	743554637	JPRIXNJRGXLNPD-HXUWFJFHSA-N	413.543	3.571	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H](C)N(c4ccccc4)C3=O)cc2)CC1	743600876	SFPUAIVEMZHKGH-CVDCTZTESA-N	420.557	3.916	10	20	HHCD	
CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	745593664	TUTHSQCDKJTGEN-HSZRJFAPSA-N	424.614	3.656	10	20	HHCD	
C/C(=C/C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(C)(C)C	745595833	BISMJELIVRQROC-FDUJEISQSA-N	420.525	3.591	10	20	HHCD	
O=C(NC1CCN(C[C@H]2CCCO2)CC1)N(Cc1ccccc1O)C1CCCCC1	745824442	IIUZKQQAOLAUFQ-JOCHJYFZSA-N	415.578	3.880	10	20	HHCD	
CN(Cc1cccc(O)c1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745902985	AECQGYRVBFQEEJ-MRXNPFEDSA-N	405.445	3.804	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cccc4c3COC4=O)n2)c(F)cc1F	749009238	CFDUUNVFPCWXNC-UHFFFAOYSA-N	422.434	3.868	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1F	751135967	BXPZYTUXMZYZRP-UHFFFAOYSA-N	421.490	3.842	10	20	HHCD	
CCOC(=O)c1sc(NC(=O)N(C)Cc2ccccc2O)c(C(=O)OCC)c1C	752609559	CCQOLIBNAVLDJI-UHFFFAOYSA-N	420.487	3.779	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1	752965432	OOIDVSGUGVWUBF-LLVKDONJSA-N	402.838	3.665	10	20	HHCD	
C[C@@H]1CN(C(C)(C)CN[C@H](C)c2cc(Br)cc(F)c2O)C[C@@H](C)O1	756367517	NEYHKOOYYSSDSM-JHJVBQTASA-N	403.336	3.832	10	20	HHCD	
C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(Cl)c(Cl)c1O	756531982	BZBGOZMPOLWOFE-ZDUSSCGKSA-N	410.345	3.841	10	20	HHCD	
CCc1cc(N2CCC(N[C@H](C)c3ccc(Br)cc3O)CC2)ncn1	756638784	RTMKUHSFMNQYCG-CYBMUJFWSA-N	405.340	3.827	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2CCC(F)(F)F)cc1F	757259175	MMVJPDUEXZSNKH-UHFFFAOYSA-N	411.399	3.642	10	20	HHCD	
Cc1nc(C)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)s1	757552704	XAEFATXUMAGRSP-UHFFFAOYSA-N	410.502	3.901	10	20	HHCD	
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)CC[C@H]1NC(=O)OC(C)(C)C	757647825	MWYOMFKVRHHXJI-FXAWDEMLSA-N	418.582	3.896	10	20	HHCD	
Fc1cc(CNCCOc2ncc(Cl)cc2Cl)ccc1N1CCOCC1	761979250	HHULWYAZDGAAQN-UHFFFAOYSA-N	400.281	3.533	10	20	HHCD	
CCCSc1nsc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1	762952019	KGARZHFBWPATBY-UHFFFAOYSA-N	421.592	3.571	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	764322080	IBTOFCYAFCZRTJ-JKSUJKDBSA-N	406.523	3.690	10	20	HHCD	
COc1cccc([C@H](CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)N(C)C)c1	764460021	AZFXPDQYMGIUIF-SBUREZEXSA-N	401.526	3.624	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)c2C)c1	765356303	ZEDDZYKPPHVNEB-CJFMBICVSA-N	422.617	3.809	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O	767171020	MMKGEUGBZYDCTE-QFIPXVFZSA-N	412.578	3.752	10	20	HHCD	
Cc1ccc(O)c(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1	768192017	LSPPMDIXLKCYJS-UHFFFAOYSA-N	415.342	3.514	10	20	HHCD	
COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)c1	768251762	JGXOTJOANUJJSX-UHFFFAOYSA-N	423.557	3.652	10	20	HHCD	
Cc1ccncc1[C@@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	771421075	KLUBWSWKENESKQ-IXDOHACOSA-N	400.498	3.703	10	20	HHCD	
COC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1	773505942	NUKJVGQKWQIGDP-HXUWFJFHSA-N	421.513	3.705	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(COc3ccccc3)cc2)c1	774024686	XLNSVALWWHTAPQ-UHFFFAOYSA-N	412.467	3.595	10	20	HHCD	
C[C@@H]1CN(c2cccc3cnccc23)CCN1Cc1ccc(N2CCOCC2)cc1	775205331	RXSWLLQLIQSTLN-HXUWFJFHSA-N	402.542	3.782	10	20	HHCD	
C[C@@H](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(N(C)C)cc1	775833580	DXMQSXGARHSQIS-XMSQKQJNSA-N	423.557	3.928	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1OC	776175203	JGOUKOVPPFKOLP-QGZVFWFLSA-N	406.910	3.523	10	20	HHCD	
CCC(CC)n1nc(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1C	776323563	RMIRALYBBFXRQN-UHFFFAOYSA-N	415.557	3.764	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)C3CCN(C(=O)OC)CC3)ccc21	776976657	BXYSBYZFIRCGRT-INIZCTEOSA-N	415.534	3.501	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnn(C4CCCCC4)c3C)CC2)cc1F	781163497	BGDYPBCZOZPHEZ-UHFFFAOYSA-N	400.498	3.807	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC3(CC2)CNC(=O)O3)cc1	781853308	DLVJTQNGGTZQHC-UHFFFAOYSA-N	407.474	3.883	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)ccc1Br	784029255	CIYDLOMVCKCPIP-UHFFFAOYSA-N	409.255	3.671	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1nc(C(=O)OCC)c(C(C)=O)s1	798197853	IBQHWUIRUNTZMB-UHFFFAOYSA-N	405.476	3.672	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(OC)c2)SC1=S	799201348	YSECIYNEVFWDPH-UKTHLTGXSA-N	415.920	3.512	10	20	HHCD	
Cn1cc(-c2ccc(CNCc3ccc(N4CCC(O)CC4)c(F)c3)s2)cn1	800885969	QWKRKZVWTXQUHR-UHFFFAOYSA-N	400.523	3.539	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1	801612092	JGRFALXAENUJIU-UHFFFAOYSA-N	424.545	3.614	10	20	HHCD	
Cc1ccc(-n2cc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cn2)c(C)c1	804250322	BWRYPKADHKQOLI-UHFFFAOYSA-N	410.861	3.817	10	20	HHCD	
CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	804457663	AWFNYIKUIHLPEM-NRFANRHFSA-N	407.558	3.771	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCN(Cc2ccncc2)CC1	804926665	MSQCHLRHZAAWGZ-UHFFFAOYSA-N	409.317	3.558	10	20	HHCD	
C[C@H](NC(=O)N[C@H](CCO)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	806541265	IFINPMHVMOABSU-HRAATJIYSA-N	417.937	3.661	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C	807101517	SUSFWXMUSMCZDS-QFIPXVFZSA-N	413.537	3.542	10	20	HHCD	
CC1(C)Cc2cccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)c2O1	807511626	RGRGTLHCPMZDBL-UHFFFAOYSA-N	409.269	3.667	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@]3(C)CCCS3)cc2Cl)C1	807774560	BXRFMFWSZFBQCF-VFNWGFHPSA-N	424.010	3.594	10	20	HHCD	
CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc2c(c1)CCN2Cc1ccccc1	809595548	MOXPCENINMVVKI-LGPLSSKUSA-N	405.586	3.933	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)COc1cc(F)cc(F)c1	810455919	DEEVOPSNWPHRFJ-UHFFFAOYSA-N	400.219	3.860	10	20	HHCD	
COCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccccc1O	812135052	FNFPWVQVMBXVFS-HNNXBMFYSA-N	400.454	3.546	10	20	HHCD	
COCC[C@H]1COCCN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	813159368	ZSOJQTHKSMHSOZ-AEFFLSMTSA-N	409.958	3.523	10	20	HHCD	
CS(C)(=O)=Nc1ccc(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)cc1	820374670	XTUZUWGBOZBYKE-UHFFFAOYSA-N	413.524	3.514	10	20	HHCD	
Cc1cccc(NC(=O)NCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1	915191860	ZUDGJEFWUDPJFD-UHFFFAOYSA-N	404.514	3.883	10	20	HHCD	
COCCOc1cc(C)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	916696778	NPYLGEAOLBIJCU-UHFFFAOYSA-N	413.518	3.521	10	20	HHCD	
CC(C)CN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)CC(C)C	917038010	OUXJZYAHVLAEDW-KDURUIRLSA-N	407.574	3.670	10	20	HHCD	
COc1ccc([C@@H](NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)C2CC2)cc1	917074629	DIPKZTGZDOJDQZ-VWLOTQADSA-N	407.558	3.993	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1	918198841	IEHVANPZMHUJTO-LGMDPLHJSA-N	403.550	3.534	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3cccc4cccnc34)cc2F)C[C@@H](C)O1	918632659	AOCMQTAHHSCDLF-IAGOWNOFSA-N	407.489	3.846	10	20	HHCD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	920873375	YWNSTNQQIQWARO-ZWKOTPCHSA-N	424.545	3.934	10	20	HHCD	
CCCCN(C)CC1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	920921482	HSGNIVKHNYXCKF-HXUWFJFHSA-N	416.610	3.738	10	20	HHCD	
Cc1oc2ncn(C)c(=O)c2c1-c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1	1117228087	WXTHCSRWGJTUCK-UHFFFAOYSA-N	401.426	3.959	10	20	HHCD	
C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(N4CCCC4)cc3)cc2)C[C@@H](C)O1	1251726248	BNYGTJWNRPPMNN-WOJBJXKFSA-N	407.558	3.826	10	20	HHCD	
C[S@](=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	1318899067	JXJGFVXKPQWXBR-HOLBHBGLSA-N	423.485	3.816	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1COc2ccc(F)cc2C1	1319668961	RCNPKBQJJUZMBR-CQSZACIVSA-N	408.267	3.894	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1nc(-c2cccc(F)c2)no1	1320836075	IDWOHTOLYWTWLZ-OAHLLOKOSA-N	413.472	3.617	10	20	HHCD	
COc1cc(N2CCN(Cc3nc4c(s3)C[C@@H](C)CC4)CC2)cc(OC)c1OC	1321083676	HMFRDJFPQFAMBI-HNNXBMFYSA-N	417.575	3.616	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)CN)cc3)CCC2)cc1	1787973264	BBOHLIDAWQBOGQ-UHFFFAOYSA-N	416.525	3.801	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)cc1	1790316310	BECOFRSURGBPRB-UHFFFAOYSA-N	417.465	3.863	10	20	HHCD	
Cc1ccc(CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C(C)C)s1	65162371	HWUCWAFEIQHHOU-UHFFFAOYSA-N	419.566	3.559	10	20	HHCD	
CN(Cc1c(F)cccc1Cl)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	96971040	PPBULQUPLJESNK-QGZVFWFLSA-N	420.912	3.824	10	20	HHCD	
CCCO[C@@H]1CCCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	303304234	DGVQHOJQJZBOTB-QGZVFWFLSA-N	420.509	3.682	10	20	HHCD	
COc1ccc([C@H](NC(=O)N2CCOc3cc(N(C)C)ccc32)C(F)(F)F)cc1	482350170	JLDMSBSEGCOEPU-SFHVURJKSA-N	409.408	3.973	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@@H]3CC(=O)N(C(C)C)C3)no2)C1	551183932	RIMHMRPNHBESFN-QGZVFWFLSA-N	421.545	3.563	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3ccc(OC(F)F)c(OC)c3)SC2=S)cn1	726196989	JDFOTXJYNOCRCL-AUWJEWJLSA-N	411.455	3.919	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCC[C@H]1c1ncc[nH]1	730126519	AHZHQHYUJKRHFF-SFHVURJKSA-N	419.476	3.917	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@H]3CCc4ccccc4C3)cc2F)CC1	732540214	CYENEXBYYFAVES-IBGZPJMESA-N	409.549	3.779	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1	734646884	SZSVXNGWJVXCFM-KDURUIRLSA-N	410.562	3.992	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1	734661515	KUNLIPBKOFGQOP-MRXNPFEDSA-N	409.534	3.905	10	20	HHCD	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4cc(C)oc4C)cs3)cc21	734740423	MZJYLTJPYIKRPT-UHFFFAOYSA-N	417.512	3.730	10	20	HHCD	
O=C(c1cccc(OC[C@H]2CCCO2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517078	HEGAADXQTKJJKB-FCHUYYIVSA-N	411.498	3.771	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCCC[C@H]3c3ccco3)cc2)C1	737036811	LPNGZAAUJODTSE-CTNGQTDRSA-N	424.545	3.808	10	20	HHCD	
COc1cccc([C@@H](C)N2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)c1	741089994	AKBGDZFCXSRXPA-HXUWFJFHSA-N	420.557	3.660	10	20	HHCD	
CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1Cc1ccccc1	741091944	LAHOCUMEMQZYAG-UHFFFAOYSA-N	404.558	3.869	10	20	HHCD	
COCCCOc1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1	742046827	CCPXHDICSLPWKP-UHFFFAOYSA-N	400.544	3.585	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1	742048532	QYKBMKFYBPQTHN-UHFFFAOYSA-N	400.910	3.646	10	20	HHCD	
COCCOc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742798907	CPXLNWDFVHCBQM-KRWDZBQOSA-N	420.456	3.712	10	20	HHCD	
O=C(c1ccnc(OCC(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	743339437	QBUAFQKABIZUCU-INIZCTEOSA-N	410.392	3.550	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	743544275	TVCBOBXBIUKMLS-QHCPKHFHSA-N	408.498	3.993	10	20	HHCD	
C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](C)C1	743605747	VJACRWXLZGCLJL-SQNIBIBYSA-N	424.536	3.676	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H](C)Oc3ccc(F)cc3)CC2)cc1	743679050	SVRYNINCDIPXKE-MRXNPFEDSA-N	401.482	3.570	10	20	HHCD	
CCC1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOCC1	745905332	NESKVNZNTNQFBD-INIZCTEOSA-N	411.493	3.763	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc(N(C)C)c(F)c3)ccc2NC1=O	745930274	JLMITYDUOMERSU-DJJJIMSYSA-N	414.481	3.562	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N(C)[C@H]3CCCN(Cc4ccccc4)C3)ccc21	746418349	ZPMLVWBUBRFTSW-QHCPKHFHSA-N	406.574	3.875	10	20	HHCD	
Fc1cc(CNc2ncc(Cl)cc2F)ccc1N1CCN(c2ncccn2)CC1	750787865	AAFILCQUDOZANY-UHFFFAOYSA-N	416.863	3.742	10	20	HHCD	
C[C@@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)c(Cl)c1O	756395096	GUUMOVJRYAHJIM-GFCCVEGCSA-N	414.333	3.994	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCCCNC(=O)c2cccc(Br)c2)c1	756527740	REABHRWYNHDINM-CYBMUJFWSA-N	407.308	3.634	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3CSC)CC2)cc1	760073775	JELVXOQLAWVMAH-UHFFFAOYSA-N	414.575	3.502	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2sccc2OC)n1	760311625	SZKSZAGLMLVSOE-UHFFFAOYSA-N	400.478	3.829	10	20	HHCD	
COc1cc(N2CCN(Cc3cc4ccccc4nc3OC)CC2)cc(OC)c1OC	761220765	XOCXCQVAVSRZIE-UHFFFAOYSA-N	423.513	3.591	10	20	HHCD	
O=C(NC1Cc2ccccc2C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	762584949	PLZMDIFKPLCYAL-KRWDZBQOSA-N	401.457	3.723	10	20	HHCD	
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	763282512	XTLILQZBDHLELB-OAHLLOKOSA-N	420.465	3.720	10	20	HHCD	
O=S(=O)(Nc1cccc(Cl)c1Oc1cccnc1)c1cccc2nonc12	765060551	IODCGENDUXFJEE-UHFFFAOYSA-N	402.819	3.864	10	20	HHCD	
COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCc1cccc(Br)c1O	765765276	QSWTVBUKVLYWMR-LLVKDONJSA-N	424.316	3.738	10	20	HHCD	
CCS[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)n1	765800540	STGWGIDUZAVLHE-OAHLLOKOSA-N	401.536	3.602	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc([S@@](C)=O)cc3)cc2F)CC1	765851994	ILYRCLLBPRCOGQ-YMGMXPECSA-N	403.567	3.556	10	20	HHCD	
CON(C)C(=O)[C@H](CCSC)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	766262821	MOHHRIZIOWBBBE-SFHVURJKSA-N	423.966	3.619	10	20	HHCD	
COc1cccc(CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)c1O	768519808	XRFKMUNXNPLJCE-UHFFFAOYSA-N	404.264	3.644	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(c2cccc(F)c2)CC1	768916506	RSCKTVGLIXLKSU-IBGZPJMESA-N	402.897	3.997	10	20	HHCD	
CN1CCN(c2ccc(CNCc3ccccc3CN(C)Cc3ccco3)cc2)CC1	771844304	YIDBONDGOUSQEB-UHFFFAOYSA-N	418.585	3.953	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(N)c(Cl)n2)c(C)n1-c1cccc(F)c1	772074557	JSMFDGSUDXSSFC-UHFFFAOYSA-N	401.825	3.904	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)C(F)(F)F)CC3)ccc21	773069092	DAOKOXZFPYILMX-UHFFFAOYSA-N	410.436	3.888	10	20	HHCD	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773743776	KTPYIVHFYQJTOF-LBPRGKRZSA-N	416.474	3.942	10	20	HHCD	
CC[C@H](NCC1CCN(S(=O)(=O)CC)CC1)c1ccc(Cl)c(Cl)c1O	775551943	PVZJZOZTAWZSGF-HNNXBMFYSA-N	409.379	3.801	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN[C@H]3CCCCC3(C)C)cc2F)C[C@@H](C)O1	775683475	SZJKMDUWCRWGAF-LZJOCLMNSA-N	405.558	3.614	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1(Cc2cccc(F)c2)CCC1	776117106	DJYMZZVKYCCXDW-UHFFFAOYSA-N	415.484	3.766	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(C)o1	776301773	BYDFGOIHQBSSJS-UHFFFAOYSA-N	403.485	3.705	10	20	HHCD	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccc(O)c(O)c1	778926277	UCOYUXJPNJXEOB-UHFFFAOYSA-N	409.282	3.831	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1	779022810	HOVINOBKSOHDKC-RBBKRZOGSA-N	417.594	3.678	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(C(C)(F)F)c2)C2CC2)cc1	782106136	HTOPALPPXBVWKI-UHFFFAOYSA-N	401.457	3.994	10	20	HHCD	
C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783631731	QZOOJVUEUUMYSA-CQSZACIVSA-N	407.422	3.682	10	20	HHCD	
CN(C)c1nc2cc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)ccc2o1	784107757	VFMMZUSRPGNLAW-UHFFFAOYSA-N	421.501	3.638	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O	789891819	OADUYWJCEKJWKF-SGJXGLNRSA-N	421.280	3.730	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CC4(CCC4)c4ccccc43)cc2)C1	790237245	KLHVNRPXVKXCCY-LJQANCHMSA-N	418.541	3.540	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c(O)c1	793158738	NKYCNJKQLPYHDB-KRWDZBQOSA-N	411.424	3.522	10	20	HHCD	
CCOCCOc1ccc(Br)cc1CNCc1ccc(OC)cc1O	793387576	HZTHJPQQHBWMON-UHFFFAOYSA-N	410.308	3.868	10	20	HHCD	
C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	793823240	GOKBXULAOXCUME-GOSISDBHSA-N	423.557	3.525	10	20	HHCD	
COc1ccc(CNC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c(O)c1	794382430	BPBLETJZMRDKKE-XMMPIXPASA-N	420.509	3.554	10	20	HHCD	
COCCCOc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1OC	796468553	YAKXQMDXHFFIJS-UHFFFAOYSA-N	404.482	3.698	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c1O	796526260	SLSSRSUDFOTFEZ-HNNXBMFYSA-N	403.784	3.970	10	20	HHCD	
Cc1noc(C)c1C(C)(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	797436760	OLEHTGLFNNKHMN-OKILXGFUSA-N	403.498	3.638	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c(O)c1	797652293	XDSFSPDNCKGIQW-UHFFFAOYSA-N	400.475	3.997	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Cn1c(S)nnc1-c1cccs1	801548449	GKMXHJUAPQWINQ-UHFFFAOYSA-N	402.545	3.830	10	20	HHCD	
Cc1cccnc1[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C	805873959	WXHLZWRLFSZZLY-JOCHJYFZSA-N	422.573	3.852	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1cccc(Cl)c1Cl	806280001	HBLAGQKVIUTOMX-SNVBAGLBSA-N	418.371	3.926	10	20	HHCD	
COc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl	807512593	ZSLMJOZGWVIIQT-UHFFFAOYSA-N	403.649	3.616	10	20	HHCD	
C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCN1Cc1ccccc1	807621831	LEGDFIJSEAHQCD-UEVCKROQSA-N	423.557	3.746	10	20	HHCD	
CC(C)(C)OC(=O)N(CCNCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)C	809610027	UQFNZNPZBTZOOD-UHFFFAOYSA-N	423.573	3.912	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C[C@H](C)NCc2cccc(OC)c2O)sc(C)c1C	809740069	KSHZWXHUIUOHMU-LBPRGKRZSA-N	420.531	3.763	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1O	817658176	WYVFMMTYNCHWIV-DLBZAZTESA-N	418.534	3.906	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(NCC2CC2)nc1	857472916	PKZNIAXMOPRKKO-LJQANCHMSA-N	414.937	3.657	10	20	HHCD	
Cc1cc(CCNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(C)n1-c1ccccc1	918199790	FFWMHELARJGFSB-JOCHJYFZSA-N	407.518	3.834	10	20	HHCD	
O=C(Cn1ccc2ccccc21)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	918323341	CLEURXOTKAWHNN-UHFFFAOYSA-N	417.431	3.813	10	20	HHCD	
CC(C)COc1ccccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	918780245	YIEXTQWCXRIJDL-UHFFFAOYSA-N	411.546	3.900	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)c3ccoc3)c2C)c1	919481612	ZMZVKYJIIPPASP-QGZVFWFLSA-N	422.481	3.848	10	20	HHCD	
Cc1ccc(NC(=O)N(C)C)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1	1318852743	MLFQTLVRCWMDBN-UHFFFAOYSA-N	412.559	3.572	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	1320262639	XMVUYWFUGSYACF-LJQANCHMSA-N	411.502	3.911	10	20	HHCD	
COc1ccc(CNC(=O)COc2ccc(Cl)cc2Br)c(O)c1	1326862451	BJYIFTHAUCJSCM-UHFFFAOYSA-N	400.656	3.512	10	20	HHCD	
COCCOc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F	142227553	PNDPCMDNTXLOHZ-MRXNPFEDSA-N	417.481	3.570	10	20	HHCD	
C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(N2CCOCC2)cc1	301535893	MMUVHJIWRFFZPL-LBPRGKRZSA-N	407.268	3.762	10	20	HHCD	
Cc1ccnc(-c2ccc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)cc2)n1	472781289	BPGCRBZCAWVXJZ-UHFFFAOYSA-N	413.481	3.507	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)n(C)c2ccccc12	561779702	FNECDRZLUVTMPW-OAHLLOKOSA-N	424.467	3.619	10	20	HHCD	
FC(F)(F)c1cccc(CNC(=S)NCc2ccc(N3CCOCC3)cc2)c1	726477557	RAPRXVJCGFBUQL-UHFFFAOYSA-N	409.477	3.706	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1	728984706	RYWYYUMZMOBVOX-NSHDSACASA-N	417.512	3.591	10	20	HHCD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1	732881307	LGBKNERHBSOQAG-UHFFFAOYSA-N	415.559	3.714	10	20	HHCD	
COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCc1ccc(N(C)C)cc1C	734503716	WBNMYYLMOCWYML-UHFFFAOYSA-N	419.934	3.750	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N(CC1CC1)CC1CC1	734524869	DORMRDFJQRCFOU-UHFFFAOYSA-N	411.468	3.874	10	20	HHCD	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	734660237	NGRMQBHSQPIYNW-XLIONFOSSA-N	411.521	3.874	10	20	HHCD	
O=[N+]([O-])c1cc(CN[C@H](CO)Cc2c[nH]c3ccccc23)ccc1N1CCCCC1	734845680	ZSXFYOLBBXVAAB-IBGZPJMESA-N	408.502	3.760	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)c(C)n1-c1ccccc1Br	736585251	CBPBSAUWZSTQJJ-RZAQHMAJSA-N	423.376	3.838	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc21	737135626	AVFLDBGAWDCXGO-UHFFFAOYSA-N	419.529	3.813	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3Br)ccc21	739537974	ZSOWUASTNYKFFJ-UHFFFAOYSA-N	404.264	3.670	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cccc4ccc(C)nc34)cc2F)CC1	741188364	NGUMZSXWTQMIEG-UHFFFAOYSA-N	406.505	3.754	10	20	HHCD	
COC(=O)[C@H](CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccccc1	742119871	UKBOTJXWMCRPHT-JOCHJYFZSA-N	406.482	3.789	10	20	HHCD	
O=C(NC1CC1)[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743485507	PKIYFHQWDKFHQU-NQIIRXRSSA-N	415.484	3.866	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H](C)Oc3ccccc3F)CC2)cc1	743677653	DXJPTSXHPVOKRU-MRXNPFEDSA-N	401.482	3.570	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)NCc3ccc4c(c3)CCCN4C)n2)c1	743706111	YLAVMRFNUCXFMD-HNNXBMFYSA-N	421.501	3.688	10	20	HHCD	
CSC1(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CCOCC1	745868812	SVWWPULGWQWSNN-UHFFFAOYSA-N	417.575	3.970	10	20	HHCD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	747410017	RHXSYNNURKAIRD-UQNRQAKVSA-N	418.484	3.928	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1	749125358	FBVBPLJCVBQAMG-CALCHBBNSA-N	421.557	3.928	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CC[S@](C)=O)c(C)n1-c1ccc(Br)cc1	749188802	MVSNMINZFMPUJY-YYUOZPCZSA-N	411.365	3.744	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@@H](Oc4cccc(F)c4)C3)CC2)cc1	753155866	XRGJFAZHIOMXQP-JOCHJYFZSA-N	413.493	3.666	10	20	HHCD	
CNC(=O)CCCN(C)[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	753205245	UWWYTEKKZLKQHU-MRXNPFEDSA-N	421.488	3.725	10	20	HHCD	
COCCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754547001	CNTBLYDLRCZQEP-UHFFFAOYSA-N	401.418	3.740	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C4CCC4)cc3)cc2)C1	755296695	JTCJVDMGPAEPCQ-QFIPXVFZSA-N	420.557	3.655	10	20	HHCD	
C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1cc(F)ccc1O	756757177	CBDCJLYKRYPAIM-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1	757681284	BKOJPHZWODHMPZ-OALUTQOASA-N	422.614	3.783	10	20	HHCD	
Cc1cc(F)cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1[N+](=O)[O-]	758424566	ZHDVHNYHBOHZPM-ZIAGYGMSSA-N	419.428	3.725	10	20	HHCD	
COc1cc(N2CCN(C(=O)C(C)(C)c3ccc(C)cc3)CC2)cc(OC)c1OC	759223659	UATCUDMIQTUMFX-UHFFFAOYSA-N	412.530	3.647	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cccc(C)c3Cl)CC2)cc(OC)c1OC	759238451	MDZBURYWOZVEQV-UHFFFAOYSA-N	404.894	3.637	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc4ccccc4nc3C)CC2)cc(OC)c1OC	759240128	WHZFEKUAIFHJKR-UHFFFAOYSA-N	421.497	3.531	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1	761984066	VNICLFDYFFJDNO-KWPCUBQOSA-N	406.438	3.642	10	20	HHCD	
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCc1ccc(O)c(O)c1	762274222	HHUDZGIABBSZRW-SNVBAGLBSA-N	414.683	3.640	10	20	HHCD	
Cc1ccc(F)c(N2CCC[C@H](N(C)Cc3ccc(N4CCOCC4)cc3)C2=O)c1	764140507	JGXUDOFTLBAFMP-QFIPXVFZSA-N	411.521	3.598	10	20	HHCD	
CCS(=O)(=O)Nc1ccc([C@@H](C)NC2CCN(c3ccc(OC)cc3)CC2)cc1	765637320	BRKOFEGVBKPELS-QGZVFWFLSA-N	417.575	3.776	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@H](c4nccn4C)C3)c2C)cc1	767118374	VWTGWFQGZDKRCS-IBGZPJMESA-N	406.530	3.899	10	20	HHCD	
O=C(c1ccccc1F)N1CCCN(Cc2cccc(Br)c2O)CC1	768251958	NMFHPZTYMXYERW-UHFFFAOYSA-N	407.283	3.642	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4C[C@@H](C)C[C@@H](C)C4)n3)CC2)cc1	771057524	OOQYMTZCHKKBHL-PIIMJCKOSA-N	412.534	3.509	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCO[C@@H](c3ncon3)C2)cc1	771472927	HRKOFAWOLCBFSR-LJQANCHMSA-N	406.446	3.765	10	20	HHCD	
CC[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)N1CCOCC1	772165383	CWNFRNSZJNJHFZ-FQEVSTJZSA-N	423.517	3.535	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C(=O)OC(C)(C)C	772466188	XNDRXEDBFJTDSW-FUHWJXTLSA-N	404.555	3.682	10	20	HHCD	
C[C@H](OC(=O)C1(F)CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	772785713	ZDEYNYWTFIOFMQ-ZDUSSCGKSA-N	409.413	3.615	10	20	HHCD	
Cc1cc(C[C@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)n(-c2ccccc2)n1	773047592	JGRIOUFMLKIDCS-INIZCTEOSA-N	409.509	3.816	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1	773295513	WKVFKCANKNFWKS-SECBINFHSA-N	416.783	3.889	10	20	HHCD	
CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1nccn1C	777303049	WLQMRVRLKWYZGF-OALUTQOASA-N	401.555	3.793	10	20	HHCD	
COC(=O)[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(OC)c(Cl)c1	779179249	CJDDKRCWQTYGLS-OAHLLOKOSA-N	415.229	3.620	10	20	HHCD	
CCOc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c12	782351148	XAJWVFVLJWPBSA-KRWDZBQOSA-N	407.514	3.823	10	20	HHCD	
Cc1cc(F)ccc1-n1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1	783044524	BRSKVWZYMVCZBX-QGZVFWFLSA-N	408.477	3.647	10	20	HHCD	
CC[C@]1(C)CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1	785680219	AHIWSPSRPMYJME-LBKOFNPBSA-N	424.613	3.757	10	20	HHCD	
O=C(NCc1ccc(F)c(F)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1	786682021	HGIVXYSWGDZHDR-UHFFFAOYSA-N	402.441	3.648	10	20	HHCD	
Cc1cccc(CC2(O)CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)c1	792951060	BMAXHFNDZVXESH-UHFFFAOYSA-N	407.558	3.657	10	20	HHCD	
O=C(NCCO)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1	795796684	DFPQCQNTBZCGEF-UHFFFAOYSA-N	401.510	3.584	10	20	HHCD	
Cc1ccc(F)c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1Br	797020751	MQWLCUZXOJTRRB-LBPRGKRZSA-N	422.298	3.779	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)SC1=S	799201347	YSECIYNEVFWDPH-LCYFTJDESA-N	415.920	3.512	10	20	HHCD	
CCOc1ccc([C@@H]2C[C@H]2N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	804197147	KXLVILQPPJUSFB-ZWKOTPCHSA-N	400.862	3.765	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](N3CCCC3)[C@H]2C)c(C)n1-c1ccc2c(c1)OCCO2	805769063	RJDXOGPRPYUSDP-KNQAVFIVSA-N	423.557	3.607	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C3CC3)C(F)(F)F)cc2F)C[C@@H](C)O1	806457440	MGXUWJFPZQWHTR-BWACUDIHSA-N	403.420	3.579	10	20	HHCD	
O=C(NCCc1nnc(-c2ccccc2)o1)NCc1cc(Cl)cc(Cl)c1O	807007083	ZCXLCDYREXMEGQ-UHFFFAOYSA-N	407.257	3.791	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccc(C(C)C)cc1	807799020	BZIYFGCAGIOUTQ-GOSISDBHSA-N	402.560	3.772	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1	808410031	YZVRUZPPRBUKDJ-KRWDZBQOSA-N	420.513	3.502	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1	915790579	VXHAJRKJFMJSAR-QPPBQGQZSA-N	400.563	3.828	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3C[C@@H](C)c4ccccc43)cc2F)C[C@@H](C)O1	917056900	BQTXVAIGQWWYJU-KURKYZTESA-N	411.521	3.679	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2C)c1	918566217	SLIFTMJEGQZSAU-UHFFFAOYSA-N	402.454	3.711	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	919789871	HBONHDKEUHUXKH-UHFFFAOYSA-N	410.562	3.711	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1	920236676	FSQDAWGLKYAYKQ-QFIPXVFZSA-N	424.545	3.650	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)cc1	920238127	RGIRDWDTSRLKIN-HXUWFJFHSA-N	424.589	3.753	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCc3ccc(Cl)cc3C2)c1	1324527953	JVNTUCDPNKWMQV-UHFFFAOYSA-N	414.933	3.639	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2C[C@H]2C2CC2)cc1	1847480287	BLUORHXNQGKOKG-ZJZGAYNASA-N	417.553	3.956	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COc1ccc(N2CCCC2=O)cc1	10963245	DIEIYLQVTWNOED-UHFFFAOYSA-N	421.541	3.841	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)Cn2cccn2)c(C)n1-c1ccc(OC(F)F)cc1	11117822	GHQQYWYQVVHKLN-HNNXBMFYSA-N	417.412	3.707	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1	108244291	KTFWBEIXVWOOHK-QGZVFWFLSA-N	407.297	3.962	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccn(-c3cccc(F)c3)n2)cc1	110148189	UCFJVIWIOZPCEV-JOCHJYFZSA-N	422.504	3.899	10	20	HHCD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)CCCN4C)C2)c1	116153921	MSQCUPXUARHMEN-NRFANRHFSA-N	420.557	3.938	10	20	HHCD	
COc1ccc(CNCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1C	237392678	IQLUTEPDIVMSLB-UHFFFAOYSA-N	408.589	3.572	10	20	HHCD	
C[C@H]1CN(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)C[C@H](C)O1	303013644	KBTLUVSFVBLMQB-KBPBESRZSA-N	413.465	3.840	10	20	HHCD	
Cc1c(CNC(=O)N[C@H](C)c2ncc(Br)cn2)n(C)c2ccccc12	431909573	POOUFQVFIDJWRZ-GFCCVEGCSA-N	402.296	3.600	10	20	HHCD	
C[C@@H](c1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1)N1CCOCC1	542024230	OIXNGSHDFAFELD-KRWDZBQOSA-N	410.518	3.577	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3ccc(OC[C@H]4CCCO4)cc3)SC2=S)cn1	726196942	HJGMQEJOXDTXSU-HJSBDDGSSA-N	415.540	3.867	10	20	HHCD	
CC(C)COC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	726245631	LHOUFFCLONJABH-GHTZIAJQSA-N	415.534	3.890	10	20	HHCD	
Cc1nc(S)sc1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565891	MINBFTIDXJBOMT-UHFFFAOYSA-N	413.515	3.669	10	20	HHCD	
O=S(=O)(/C=C/c1ccccc1Cl)NCc1ccc(N2CCSCC2)cc1	727450280	IHLXQTCKFPRCAK-NTEUORMPSA-N	408.976	3.984	10	20	HHCD	
CC(C)(C)OC(=O)C1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1	728195607	GGQLLSFWRZPETL-UHFFFAOYSA-N	411.498	3.883	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cccc(C(=O)N(C)C)c2)c(C)n1-c1cccc(F)c1	728644676	SNPNPEFXGWIOSH-UHFFFAOYSA-N	422.456	3.975	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cn1ncn(CCc2ccccn2)c1=S	728706293	ONUWPPKUULFKMV-UHFFFAOYSA-N	410.591	3.986	10	20	HHCD	
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N(CC)CC)cc2)C1	728750274	WFTGVYABFRDMHS-AZUAARDMSA-N	402.583	3.759	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2occc2CN2C(=O)Cc3ccccc32)c1	729534657	AMSOIKCDFXZAIU-CQSZACIVSA-N	406.438	3.574	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)c1	729535941	WXKVOQIJNIUKDK-HUUCEWRRSA-N	402.516	3.647	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2ccc(Br)cn2)C1	733797909	DPSRMDJFEVRMHU-KRWDZBQOSA-N	410.743	3.957	10	20	HHCD	
COC(=O)CCSCc1cccc(NC(=O)NCc2cc(OC)ccc2O)c1	734062963	DWVXUCSXUHQYJV-UHFFFAOYSA-N	404.488	3.519	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(C(C)C)C2=O)c(C)n1-c1cccc(Br)c1	734137415	XCSMETOBEUOKNG-SFHVURJKSA-N	418.335	3.596	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3c(nc2O)CCCCC3)cc1	737819890	FEZOOUMIHYHWHV-OAQYLSRUSA-N	423.557	3.944	10	20	HHCD	
CCOc1ccc(O)c(CN[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1	738439108	KYKUSOFSCFLQBB-QHCPKHFHSA-N	404.510	3.808	10	20	HHCD	
CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3ccc(O)cc3C)cc2c1C	740706214	RRXLDPVAAPJOKT-UHFFFAOYSA-N	406.485	3.596	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2NC(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](C)O1	741061040	VDTBBZKNWRNUOB-WOJBJXKFSA-N	420.557	3.994	10	20	HHCD	
COCCOc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742798425	NJAJYHKXQCJGRD-INIZCTEOSA-N	420.456	3.712	10	20	HHCD	
COC(=O)[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1	743485727	TXBNBNMFDAAXKD-LPHOPBHVSA-N	408.420	3.900	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)COCCOc1ccccc1	743807449	AKBULWLEPYCFCK-UHFFFAOYSA-N	408.292	3.599	10	20	HHCD	
CCN(CC(=O)N(C)Cc1ccccc1C)Cc1cc(Br)ccc1O	743872239	RWRWPDLMPQAQHE-UHFFFAOYSA-N	405.336	3.944	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1COc2ccccc2C1	745350747	YWKQJACIIFMDDX-AWEZNQCLSA-N	419.319	3.938	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)ccc1F	747855964	FEVPJJBWJZSCAD-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
Cc1cc(-c2csc([C@H]3CCCO3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	749589556	IOMAIBDTZBXJBT-GOSISDBHSA-N	403.529	3.717	10	20	HHCD	
Cc1cnc([C@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1	749884563	ZDQSLZBIJWFMLR-KBPBESRZSA-N	419.506	3.905	10	20	HHCD	
CCc1ccc(CC)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	752097496	SYQCOIVTLDFODC-HXUWFJFHSA-N	410.514	3.663	10	20	HHCD	
Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1	753547410	QDEZMDTWAXIJLY-HSZRJFAPSA-N	407.514	3.650	10	20	HHCD	
Cc1cc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Cl	754324996	UZAZRTJWPUMMQM-UHFFFAOYSA-N	405.901	3.748	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cccc(-c4ncco4)c3)cc2F)CC1	754477339	WFRHXPFBSWVKCB-UHFFFAOYSA-N	423.492	3.944	10	20	HHCD	
Cc1cc(F)ccc1OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	754778252	FWQUREWULLMLGA-HZPDHXFCSA-N	404.457	3.582	10	20	HHCD	
CS(=O)(=O)N1CCc2c(NCc3ccc(OCc4ccccc4)cc3O)cccc21	757992912	FPCQHTFUYFZENS-UHFFFAOYSA-N	424.522	3.905	10	20	HHCD	
O=C(Nc1ccccc1O[C@H]1CCOC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	760062186	ODGRQIJHSWLIDC-OALUTQOASA-N	412.486	3.773	10	20	HHCD	
CC[C@H](c1ccccc1)N1CC(=O)N([C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O	761162735	WBBDDNGTOFHUMQ-PGRDOPGGSA-N	407.514	4.000	10	20	HHCD	
O=C1CCCC(=O)N1Cc1ccc(NCc2cccc(Br)c2O)cc1	761229697	SQBHIQURPBHBDW-UHFFFAOYSA-N	403.276	3.806	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(Cc3ccc(F)cc3)C(C)(C)C)nc12	761943147	ZDUTUGSMVMRGEY-UHFFFAOYSA-N	400.454	3.551	10	20	HHCD	
Cc1coc(-c2cc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)ccc2C)n1	764268488	LIGWRYFCFDRULK-UHFFFAOYSA-N	419.481	3.798	10	20	HHCD	
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cccc(Br)c2O)C1	764764367	PFYFXCRLRDCYJY-PBHICJAKSA-N	418.335	3.789	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)NCc2cccc(Br)c2O)cc1	764801952	WLAKVEBUUOYTSW-CYBMUJFWSA-N	407.308	3.841	10	20	HHCD	
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(N2CCCCC2)cc1	765820531	LSWIZGBTZFNEBB-BWKNWUBXSA-N	421.585	3.798	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3nnn(-c4ccccc4)c3C)cc2F)CC1	765849851	RHPJZBBFJIVHOI-SFHVURJKSA-N	422.552	3.708	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)cc1F	766414916	OFQFFIFZTQLCEL-LSDHHAIUSA-N	408.395	3.704	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3cc(F)c(F)cc3F)cc2F)C[C@H](C)O1	767883110	GMSJCYWHCSBDCY-STQMWFEESA-N	410.411	3.716	10	20	HHCD	
O=[N+]([O-])c1ccc(OC2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)cc1	769483654	RTHSZFDHMGURBZ-UHFFFAOYSA-N	407.810	3.905	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)c2C)cc1	770431920	VXADMWHMFZUGLZ-IBGZPJMESA-N	417.509	3.917	10	20	HHCD	
Cc1cc(C(=O)N(C)CCc2cnccn2)c(C)n1-c1ccc(Br)cc1	771299288	DOXHBUJKWBRALN-UHFFFAOYSA-N	413.319	3.961	10	20	HHCD	
CCOC(=O)C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(OC)c1	773623569	VYJADMQPHHHOLD-IIBYNOLFSA-N	413.518	3.816	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1)c1ccc(N(C)C)cc1	773628277	PTALKGCRGASIDQ-JTDSTZFVSA-N	404.555	3.758	10	20	HHCD	
COC(=O)CCCc1nnc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)s1	774101622	HLOVNRXATOFKQB-UHFFFAOYSA-N	419.507	3.544	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)c1	774218952	LMCSWAFXPMLHNT-SGTLLEGYSA-N	423.307	3.739	10	20	HHCD	
COc1cc([C@@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1OC(C)C	775020163	PEFSZSLVRWRVAZ-GOSISDBHSA-N	413.562	3.858	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccc(Cl)c3O)C2)cc1	775675305	WYUIISWHLWKHSO-MRXNPFEDSA-N	408.951	3.545	10	20	HHCD	
COCCOC1CCN(Cc2cc(Br)cc(Br)c2O)CC1	775691350	XCZPMMGNHDEWAQ-UHFFFAOYSA-N	423.145	3.545	10	20	HHCD	
C[C@@](O)(CNCc1cc(Br)cc(Br)c1O)c1ccccc1	776174925	JNUTYCAPXNVZOX-MRXNPFEDSA-N	415.125	3.915	10	20	HHCD	
Cc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(C)n1-c1cccc(Cl)c1	779155486	UCBPIZYUSBTMJR-UHFFFAOYSA-N	414.893	3.647	10	20	HHCD	
C[C@@H](CN(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nccs1	784577439	ZXSVFNOLWFSMHP-AWEZNQCLSA-N	419.506	3.593	10	20	HHCD	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1	785421835	GAAUAJDNJZDNLZ-OAQYLSRUSA-N	421.566	3.839	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1	786256581	UQMBTXXGOBGMOH-UHFFFAOYSA-N	420.340	3.521	10	20	HHCD	
CCN(CCCN1CCCC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	788314210	SGEZZEHSRPCPBH-UHFFFAOYSA-N	424.536	3.774	10	20	HHCD	
C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788928547	AGQNYDFZHWTFIP-LJQANCHMSA-N	407.558	3.776	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1	790023300	OYGXECQAUQVFFU-GFCCVEGCSA-N	400.381	3.924	10	20	HHCD	
O=C(c1c(F)ccc(O)c1O)N1CCC(Oc2cccc(Br)c2)CC1	790075158	IAYXMVVCCORSHY-UHFFFAOYSA-N	410.239	3.683	10	20	HHCD	
COC[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@@H]1CCCO1	790271564	QAGUUCXIQBTIRV-OALUTQOASA-N	421.335	3.780	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC	790411241	HOHVDGIUSVAGIG-LBPRGKRZSA-N	415.895	3.659	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c(F)c1	790638816	HXXGUJHUWAZVDX-UHFFFAOYSA-N	412.439	3.906	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(-c2ccco2)on1	791248628	PUNVCDJJYIUOJM-UHFFFAOYSA-N	411.458	3.937	10	20	HHCD	
Cc1nc2ccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)cc2n1C	793186243	JSDAHIZPRVIMCG-UHFFFAOYSA-N	403.530	3.666	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CSCCC(F)(F)F)cc2F)C[C@@H](C)O1	794540944	GWGNUBYZBNKIDM-CHWSQXEVSA-N	408.461	3.741	10	20	HHCD	
Cc1nc([C@H](C)NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n[nH]1	804814974	LVTWWPJRKOFKMA-NSHDSACASA-N	402.296	3.774	10	20	HHCD	
COC(=O)Nc1ccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	805142311	SVLCZEGFUKUKEL-UHFFFAOYSA-N	412.273	3.919	10	20	HHCD	
C[C@@H](NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1)c1ccc(N(C)C)cc1	807274643	XXBKPUPLBYNKMR-GOSISDBHSA-N	405.546	3.669	10	20	HHCD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	807691932	VALUZXBQUKOTIC-UZUQRXQVSA-N	418.493	3.954	10	20	HHCD	
CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cs1	807837544	UYKWWWSJWKAEPA-UHFFFAOYSA-N	416.330	3.999	10	20	HHCD	
C[C@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Br)cc(F)c1O	812739319	BVSNMYAQZJJTDM-JQWIXIFHSA-N	411.246	3.889	10	20	HHCD	
Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCC2	813594958	POVHOSLZGZDYLY-NFBKMPQASA-N	420.557	3.574	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@@H](C2CCC2)C1	813661396	KNZYFIIBCJZTNF-ROUUACIJSA-N	423.504	3.715	10	20	HHCD	
Oc1c(CN2CCN(Cc3nc(O)c4ccccc4n3)CC2)ccc2ccccc12	816483627	ZADBVUCNBSUQRO-UHFFFAOYSA-N	400.482	3.512	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Cn2c(S)nnc2-c2cccs2)C2CC2)cc1	914438508	BOWFOSSSUWNGLX-UHFFFAOYSA-N	413.572	3.553	10	20	HHCD	
COc1ccc(N2CCCN(Cn3nnn(-c4ccc(C)cc4C)c3=S)CC2)cc1	917487038	GEQOLVICVFTWQD-UHFFFAOYSA-N	424.574	3.594	10	20	HHCD	
Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1cc(O)cc(Br)c1O)N3	917500422	CCYMNIFBZDNCJB-HNNXBMFYSA-N	420.288	3.941	10	20	HHCD	
Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1C(C)C	917706866	YFPPGZRRZYCXSU-UHFFFAOYSA-N	400.494	3.789	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1	918052310	BSVXFXDRROTCMP-UHFFFAOYSA-N	410.562	3.729	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCN(c2ccccc2)CC1	918070406	DIXVHMGRJIUPIQ-UHFFFAOYSA-N	410.587	3.662	10	20	HHCD	
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1	919786326	SRKJOCRNRBKIKY-SIKLNZKXSA-N	424.614	3.875	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2cccs2)s1	1116669506	RFFWJMVMKBKRCG-ZDUSSCGKSA-N	417.508	3.792	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3ccc(N4CCCC4)cc3)C2=O)c1	1323319613	YAKWYRIQJVHSLN-HSZRJFAPSA-N	409.530	3.541	10	20	HHCD	
CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)CC1	1837756996	YROWEPKIGLMJTE-UHFFFAOYSA-N	423.557	3.726	10	20	HHCD	
CCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nnc1-c1ccccc1	7768030	FXOJWWPCQFBABS-UHFFFAOYSA-N	409.559	3.782	10	20	HHCD	
Cc1c(CNC(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n(C)c2ccccc12	409602745	SVAUIUVMKNHZRL-GOSISDBHSA-N	406.530	3.848	10	20	HHCD	
Cc1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cc1N1C(=O)CCC1=O	471279599	WMXKYIOQUGFZEJ-UHFFFAOYSA-N	404.470	3.770	10	20	HHCD	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCOc4cc(N(C)C)ccc43)n2)n1	476213425	BTSFCXXATCBCPN-UHFFFAOYSA-N	411.893	3.643	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C)c(N4CCNC4=O)c3)ccc21	487656168	NJBUWIRSRHIHNJ-UHFFFAOYSA-N	420.513	3.995	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)n(C)c2ccccc12	573226412	DVRCEBINAKLSJI-QGZVFWFLSA-N	411.502	3.595	10	20	HHCD	
O=C(NCCCc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCOCC2)cc1	726235569	CPGDBTRJZBMGBA-UHFFFAOYSA-N	421.463	3.974	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(OCC(F)F)c1)c1ccc(N2CCOCC2)cc1	726615069	XFAALSUYMLQHLM-MRXNPFEDSA-N	419.472	3.728	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2cccc(OC)c2)nc1-c1ccccc1	727245704	LJAPSLSPSAPXCC-UHFFFAOYSA-N	418.496	3.796	10	20	HHCD	
CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	727733026	YUEBUUCHMWFIJZ-GAJHUEQPSA-N	419.566	3.784	10	20	HHCD	
CCCOc1c(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OCC	728698096	LLQLNLWAPNUSBW-LFIBNONCSA-N	400.862	3.989	10	20	HHCD	
CCC[C@H](C)N1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1=O	728838841	PZKFQNJPIRSUKN-RDJZCZTQSA-N	413.484	3.681	10	20	HHCD	
COc1cccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1O	729859488	SBZKFHJIVVXSLD-UHFFFAOYSA-N	409.339	3.674	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)nc4)n3)ccc2N1	731058893	FILCIFMFBSWGAW-UHFFFAOYSA-N	420.903	3.544	10	20	HHCD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	732244377	YBSZSTOALSTIFU-VQTJNVASSA-N	416.610	3.784	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNCc3ccccc3-c3ccccc3)cc2)CC1	733331061	YPSGZZSJWOPNFQ-UHFFFAOYSA-N	406.551	3.878	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1	743311572	JDBFWZARYARQRA-LJQANCHMSA-N	409.313	3.731	10	20	HHCD	
CN(C)C1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCCC1	743525804	KQCQJBSJYPFFRM-KRWDZBQOSA-N	424.536	3.821	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCCC4(CCOCC4)C3)cc2F)C[C@@H](C)O1	745649797	YIRRDXPYZLVPQM-HDICACEKSA-N	419.541	3.542	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1	745847519	OMTLFDGVYLKARA-GUYCJALGSA-N	417.893	3.610	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(Br)nc1	746690755	FKGKGAMFNZITLV-UHFFFAOYSA-N	414.097	3.975	10	20	HHCD	
CCCN(CC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C)[C@H]1CCS(=O)(=O)C1	746881962	FNXIHXUVNYHEIR-IBGZPJMESA-N	420.550	3.623	10	20	HHCD	
Cc1cc(C(=O)OC[C@H]2CC(=O)N(CCc3ccccc3)C2)c(C)n1-c1ccccn1	751186372	GNOGEBANYSZESF-NRFANRHFSA-N	417.509	3.737	10	20	HHCD	
O=C(Cc1c(F)cccc1F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	755197826	JQNPWXGWFCFCPI-UHFFFAOYSA-N	414.374	3.679	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)cc1F	755346700	FLRICOCXEQVIJH-HNNXBMFYSA-N	424.513	3.537	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c(C)n1-c1cccc(Cl)c1	756062453	LBMYHPGVNICIBE-UHFFFAOYSA-N	412.921	3.723	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccccc1)c1cc(Br)cc(Cl)c1O	756398707	XXCJYGJAEYRHGJ-DGCLKSJQSA-N	400.700	3.899	10	20	HHCD	
Cc1noc(C[C@H](NC(=O)NCCCSc2nccs2)c2ccccc2)n1	759003382	ONMCCVLWWADMHH-HNNXBMFYSA-N	403.533	3.600	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCc1ccc(Br)cc1	759580051	GDYOILAHDYKDND-UHFFFAOYSA-N	400.367	3.930	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1	759718833	GGXRFJQXKWDABO-UHFFFAOYSA-N	423.579	3.825	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CC(F)(F)C1	760653066	ATHOLLIFOPNLKH-KPKJPENVSA-N	402.513	3.643	10	20	HHCD	
Cc1cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)s1	760658238	UFJODLCMVLHSRS-UHFFFAOYSA-N	411.550	3.910	10	20	HHCD	
COc1ccc2c(c1)CCC[C@@H]2CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761595534	UETSTTUSBDPIMM-OAHLLOKOSA-N	414.889	3.939	10	20	HHCD	
CC(=O)N(CCc1ccccc1)CC(=O)N(Cc1ccco1)Cc1ccccc1O	761882584	WBAOUCGLZODISL-UHFFFAOYSA-N	406.482	3.605	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1	761967959	RHRAZSMVSMQYBK-CABCVRRESA-N	415.465	3.661	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)c1	761968162	SBCDARDNBBQOIB-SNVBAGLBSA-N	424.354	3.630	10	20	HHCD	
CC(C)c1nc([C@H](C)NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n[nH]1	763035938	WEPGIJLFVJRLQC-KBPBESRZSA-N	422.480	3.559	10	20	HHCD	
O=C1Nc2ccccc2C12CCC(NCc1ccc(N3CCOCC3)c(F)c1)CC2	765119496	XMUXNCDJRYEEMO-UHFFFAOYSA-N	409.505	3.585	10	20	HHCD	
C[C@H](O)C[C@H](CNC(=O)NCc1cccc(Br)c1O)c1ccccc1	765536880	SZBITYHZVMGMGU-XJKSGUPXSA-N	407.308	3.509	10	20	HHCD	
CSc1ccncc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769954906	WBRJJAADSQOSFF-UHFFFAOYSA-N	421.525	3.624	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	773757750	YYAVAJFJACOMFV-LBPRGKRZSA-N	405.376	3.663	10	20	HHCD	
Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773855872	HNDKQEIPTHBURR-CYBMUJFWSA-N	404.308	3.639	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3ccc(-c4ccncc4)cc3)nc12	775526146	GQLTZZWYQHAJAH-HNNXBMFYSA-N	417.469	3.524	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cnn(CC(F)F)c1	777665353	GFUKTWQABXAOMT-UHFFFAOYSA-N	404.851	3.726	10	20	HHCD	
CCOC(=O)N1CCC([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	779068388	QQAHLSSCIIDIOS-DLBZAZTESA-N	407.530	3.570	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)cc3Br)c2)CC1	781272367	CZUDUSFIQLSWDW-UHFFFAOYSA-N	416.319	3.678	10	20	HHCD	
Cc1ccc(F)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	782425191	RDDNTVPOBFUUKL-UHFFFAOYSA-N	409.461	3.961	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(NC(C)=O)cc1	791247128	VFKPYJFHCWFLQY-UHFFFAOYSA-N	411.502	3.647	10	20	HHCD	
Cc1cc(CC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c(C)n1-c1ccc(Cl)cc1	794310553	RDWKGAGIJXNKPB-KSFYIVLOSA-N	402.922	3.696	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(CCCc3ccccc3)c2)c(O)c1	797390442	FXVXPIOXRMSCHW-UHFFFAOYSA-N	418.493	3.831	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(C)(C)NC(=O)C(F)(F)F)cc2Cl)C1	800050166	OTFPBNROOYVNGA-LBPRGKRZSA-N	419.875	3.650	10	20	HHCD	
CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c(O)c1	800541460	ZIBZWGYFIPLSEX-HXUWFJFHSA-N	413.518	3.980	10	20	HHCD	
CCc1csc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1	800636190	HLDMLXYSXVQIBS-CYBMUJFWSA-N	420.966	3.850	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCC[C@H](CN2CCOCC2)C1	800854728	RMFNFDIFUXOJCE-MRXNPFEDSA-N	419.363	3.852	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1	801550660	AMOPTEOWPGXOSF-SFHVURJKSA-N	406.523	3.547	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC(F)F)cc1	802610200	VDUUERREMQXMPB-UHFFFAOYSA-N	406.429	3.804	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CCC[C@@H](c4ccccc4)C3)ccc21	803686116	WLPBKOLAUJGSTA-IRLDBZIGSA-N	405.542	3.528	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CN3C(=O)N[C@H](Cc4ccncc4)C3=O)cc2Cl)C1	804189322	YTHRMCKXMZNEGL-DNVCBOLYSA-N	412.921	3.634	10	20	HHCD	
COC(=O)c1cnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C(F)(F)F	804378064	AFCSINRCUICNED-CYBMUJFWSA-N	409.408	3.897	10	20	HHCD	
CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(C)=O)c3)cc2F)CC1	804440481	GTTXYIZIGFFHQF-UHFFFAOYSA-N	400.454	3.691	10	20	HHCD	
CC[C@H](C)N[C@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccco1	806683333	GGUKKQIZYWOLCY-LAUBAEHRSA-N	414.550	3.686	10	20	HHCD	
CCOc1ccc(C2=CCN(C(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1	807678800	ZWGNFDBRHZUWAJ-GOSISDBHSA-N	421.541	3.644	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCCc2ccc(OCC(=O)NC3CC3)cc2)c1O	808677847	FVRXIWAQVZIKAE-HNNXBMFYSA-N	402.922	3.905	10	20	HHCD	
Cc1ccc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)cc1C	812402802	WVKMFDGLEQEPLZ-IBGZPJMESA-N	422.529	3.852	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	814156242	URLYDMJGLMTHDP-ICSRJNTNSA-N	424.545	3.961	10	20	HHCD	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1	814292571	ZMYIKPKTAVPNBY-SXGWCWSVSA-N	400.437	3.909	10	20	HHCD	
Cc1nc(S[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[nH]c1C	814776554	BMKVGFJBUOMLEO-CYBMUJFWSA-N	405.479	3.921	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1	815652709	OEJFQQKVXOVYKD-AVYPCKFXSA-N	414.477	3.721	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@H]3CCCN(Cc4ncon4)C3)c2C)c1	819748216	BDNDEUIOZUNGQK-HXUWFJFHSA-N	421.545	3.736	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C(C)(C)Oc3cccc(Cl)c3)CC2)cc1F	857464309	BDCKAOPTKYZDBU-UHFFFAOYSA-N	406.885	3.994	10	20	HHCD	
CCOc1ccc(-c2noc(CN(C)Cc3ccc(N4CCOCC4)cc3)n2)cc1	913364401	YSWXXFJSLXHUIN-UHFFFAOYSA-N	408.502	3.604	10	20	HHCD	
Cc1cccc(C)c1NC(=S)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1	914702886	CEUFYRIKWZQPJW-UHFFFAOYSA-N	403.451	3.910	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC	918207649	HJUFDHUGWVCWFY-LJQANCHMSA-N	401.482	3.621	10	20	HHCD	
CC(C)Oc1ncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl	919971488	ONZLKZOPRKVTDI-UHFFFAOYSA-N	421.900	3.552	10	20	HHCD	
COc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1C	920180596	PDBICQQMNZVJKW-UHFFFAOYSA-N	421.520	3.549	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c1	1252595808	FPYURFGZBLCXPA-GOSISDBHSA-N	401.938	3.542	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(NC(C)=O)ccc3Cl)CC2)cc1	1319731838	ASUDGZQVNUWJOX-UHFFFAOYSA-N	401.894	3.660	10	20	HHCD	
CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1322738865	NJTSUICOXJPDAQ-QGZVFWFLSA-N	404.942	3.780	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1CCCNCc1ccc(N2CCN(C)CC2)c(F)c1	1327412047	RQKJWGUPOKTBQM-UHFFFAOYSA-N	421.564	3.794	10	20	HHCD	
CCCC(=O)NC1(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)cc2)CCC1	1788672556	RPPIAXIIULIZMO-UHFFFAOYSA-N	418.497	3.714	10	20	HHCD	
CC(C)CC(=O)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1	1809052328	UAXDRMYYMRTEAS-UHFFFAOYSA-N	408.926	3.642	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@]2(C)C[C@H]2C)C3)cc1	1845399148	VWKMBDPWPLESOI-MZNJEOGPSA-N	405.542	3.957	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)N[C@H](c3ccccc3)c3cccs3)CC2)cc1	7354768	SMNIJHRKXFMAJG-XMMPIXPASA-N	421.566	3.785	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=S)NCCSc1ccccc1	7435651	JZMSPGQEZVFBNJ-UHFFFAOYSA-N	401.601	3.622	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1	7692197	PSXDHAXZTWLJLX-UHFFFAOYSA-N	407.543	3.619	10	20	HHCD	
Cc1ccc(Cn2nc(C)c(/C=C3\SC(N4CCOCC4)=NC3=O)c2Cl)cc1	26763719	VQJQSVGAHQIDBA-BOPFTXTBSA-N	416.934	3.504	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)c3cccc(NC(C)=O)c3)CC2)cc1	110469333	JNCAPIJHAWOXBT-MRXNPFEDSA-N	410.518	3.683	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)c(C)n1-c1ccccn1	303613592	CCLAJRCXZGDIHC-OAQYLSRUSA-N	402.498	3.757	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCSC[C@H]3c3cnn(C)c3)ccc21	482148200	YXXSXXOPQUEJNE-NRFANRHFSA-N	412.559	3.568	10	20	HHCD	
O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565836	GFCVTLSWUQXUJL-UHFFFAOYSA-N	405.401	3.524	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(CC(C)(C)CN(C)C)C1=O	727176435	KQZACGWOBNGXFP-MHWRWJLKSA-N	423.560	3.783	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1	728222227	AOLPHEZHIYQSPU-UHFFFAOYSA-N	408.951	3.862	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1	729037250	RJQRXRBVJRKTLM-ULQDDVLXSA-N	413.518	3.893	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccccc3OC(F)F)cc2F)CC1	730133493	VXYIZQSSMTZFSP-UHFFFAOYSA-N	422.451	3.891	10	20	HHCD	
CCCC[C@@H](NC(=O)c1cc(O)cs1)C(=O)Nc1cccc(N2CCCC2)c1	732283018	CVTBOIWZZBZUFD-GOSISDBHSA-N	401.532	3.981	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2SCc2ccccc2)c1	734072858	QVLHXZRNHWWFHQ-UHFFFAOYSA-N	422.506	3.948	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2Oc2ccc(C)cc2)c1	734073702	VMNGVMKCXRNNIZ-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1	740912799	XJOUKTNCLDHEAO-XMMPIXPASA-N	406.574	3.815	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](O)c1c(Cl)cccc1Cl	740919686	HHIIFEZPVMETBE-GOSISDBHSA-N	406.313	3.902	10	20	HHCD	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	740919829	OWHKVEBAMPJHQQ-GOSISDBHSA-N	402.502	3.546	10	20	HHCD	
CCCCOc1ccc(OC)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	741100260	WFZYWECYFBZMHC-UHFFFAOYSA-N	423.513	3.505	10	20	HHCD	
Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)C2	742804650	AADYTAHSFBDTJW-UWJYYQICSA-N	416.468	3.994	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2cnn(-c3ccccc3)c2)c(C)n1-c1ccccn1	744690351	BLVOGJGCZZVTHU-UHFFFAOYSA-N	400.438	3.715	10	20	HHCD	
CCN(Cc1ccccn1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	752363363	VHYKWUVXSIMYJP-UHFFFAOYSA-N	422.451	3.669	10	20	HHCD	
O=C(NCCCNc1cccc(F)c1)NCc1ccc(N2CCSCC2)cc1	753103844	NGYVNTRRPRKLJR-UHFFFAOYSA-N	402.539	3.680	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnn(-c4ccccn4)c3C(C)C)CC2)cc1F	753745326	MBALWCAVSUAZDW-UHFFFAOYSA-N	423.492	3.501	10	20	HHCD	
C[C@H](c1ccc(NC(=O)NCCCSc2nccs2)cc1)N1CCOCC1	753942804	FXWWXKPFFUGEJG-OAHLLOKOSA-N	406.577	3.840	10	20	HHCD	
COc1cc(NC(=O)NCCCSc2nccs2)ccc1N1CCCC1=O	753944504	CBRWHJTUHDAVRH-UHFFFAOYSA-N	406.533	3.582	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@@H](CN(C)Cc2ccccc2O)c2ccccc2)cc1	754065862	JLHUDEOXLZTKBE-QFIPXVFZSA-N	410.539	3.852	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc(NC(=O)NC2CC2)cc1	759561181	CYDMIBJZMGAADZ-CYBMUJFWSA-N	419.576	3.970	10	20	HHCD	
C[C@@H](NC(=O)NCc1nnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)cc1	760166473	LILPMDSSSDURLE-MRXNPFEDSA-N	423.542	3.602	10	20	HHCD	
COc1cc(N2CCN(Cc3cccn3CCC(C)C)CC2)cc(OC)c1OC	761218808	JOUPRZCMLZLDMB-UHFFFAOYSA-N	401.551	3.882	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)c2C)c1	765356305	ZEDDZYKPPHVNEB-NBGIEHNGSA-N	422.617	3.809	10	20	HHCD	
Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(O[C@@H]2CCOC2)c1	766582097	OSDKWPYSHYFWNC-GHTZIAJQSA-N	414.521	3.989	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)C[C@@H](O)c3ccc(F)cc3)CC2)cc1	766939290	JXCCBZLKYCGRCU-KSFYIVLOSA-N	415.509	3.615	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1nc(-c2cccc(Br)c2)no1	772777302	UOCGCPCBKODZNT-ALCCZGGFSA-N	417.215	3.667	10	20	HHCD	
CC[C@H](NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	775502739	YTYKMTBLWLCJBU-JKSUJKDBSA-N	402.366	3.682	10	20	HHCD	
COC(=O)N1CCC([C@H](C)N[C@H](C)c2cc(Br)c(F)cc2O)CC1	776862542	WJAIGNZAWRKMKA-WDEREUQCSA-N	403.292	3.811	10	20	HHCD	
NC(=O)c1cccc(Oc2ccc(NCc3ccc(N4CCOCC4)c(F)c3)cn2)c1	777515182	AISBBNWJBKNTSX-UHFFFAOYSA-N	422.460	3.561	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc12	777965503	CITGSBWSAUKDOZ-UHFFFAOYSA-N	423.538	3.877	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccnc(Cl)c1	778280116	AEDHUOBGLDUZBS-UHFFFAOYSA-N	414.815	3.912	10	20	HHCD	
COCc1ccccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	778660090	AZELRGWKKMDHOT-UHFFFAOYSA-N	405.457	3.666	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3CCCOc4c(F)cccc43)CC2)cc1F	778787171	DHPBYZCHFNDBKD-IBGZPJMESA-N	417.456	3.719	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H]3CCN(C(C)=O)Cc4ccccc43)cc2F)CC1	779062436	PBVBRNVDTNPDQZ-XMMPIXPASA-N	424.564	3.551	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1	780681612	OXJDAFUZAJKBOR-HUUCEWRRSA-N	407.511	3.551	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	781467966	CZMWOJCGOATAQK-UHFFFAOYSA-N	423.492	3.603	10	20	HHCD	
C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	781947278	NITXVBNBWLPWOZ-HTAPYJJXSA-N	415.965	3.826	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCCc3ccc(O)c(F)c3)cc2F)C[C@@H](C)O1	786795400	KKGUEYXENJEOIZ-IYBDPMFKSA-N	418.484	3.923	10	20	HHCD	
CCC[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)sc2C1	789743013	BZAYBIUJJCMZII-HUUCEWRRSA-N	414.575	3.930	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c(O)c1	792759926	IMQVZCCGHOYWNN-SFHVURJKSA-N	403.548	3.735	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c(O)c1	793029257	ZNHPEZDWMVFCJZ-FOIQADDNSA-N	421.900	3.686	10	20	HHCD	
C[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1	797112425	GXSLBTJOZXBYET-DNVCBOLYSA-N	403.464	3.730	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC4(CC3)OCCO4)cc2Cl)C1	799994260	PHPDLQCLLOKYCD-MRXNPFEDSA-N	407.942	3.625	10	20	HHCD	
Cc1cc(-c2nnc(N3CCC(C(N)=O)CC3)n2CC(C)C)c(C)n1-c1ccccc1	802677445	TXNFINICOPCADC-UHFFFAOYSA-N	420.561	3.710	10	20	HHCD	
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803577146	UMHVTHCBOJBZCF-SFHVURJKSA-N	407.558	3.558	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N(Cc3ccc(Cl)cc3)C3CC3)ccc21	803686603	NWZQTRSQCVKJJY-UHFFFAOYSA-N	411.933	3.530	10	20	HHCD	
O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1cc(Cl)cc(Cl)c1O	807840358	ABISHRFSKOXLHE-UHFFFAOYSA-N	422.224	3.851	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCOC2(CCCCC2)C1	808118100	PXLCSOCMYHYXJR-IBGZPJMESA-N	402.535	3.519	10	20	HHCD	
COCCOCc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	812917866	ILQVYBNVICZENE-UHFFFAOYSA-N	413.301	3.861	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC4(CC3)OCCCO4)c2C)cc1F	815159319	QHQBRHWONXILMN-UHFFFAOYSA-N	400.494	3.953	10	20	HHCD	
Cc1cc2c(cc1C)[C@H](C(=O)N[C@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CO2	857472885	PFUGHFJUCOQPND-AZUAARDMSA-N	414.933	3.919	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(CC(N)=O)CC2)c(C)n1-c1cccc(C(F)(F)F)c1	917130665	YCGHODCLCSJPCA-UHFFFAOYSA-N	421.463	3.883	10	20	HHCD	
Cc1cc(C)c(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Cl)c1	918028188	VGWWHKYSEIASJJ-KRWDZBQOSA-N	414.937	3.980	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1	918099038	IUBMGVFRHVNKQH-XMMPIXPASA-N	424.589	3.666	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](c1ccccc1)c1ccccn1	918186610	NHLRFBQUYLTWEO-QHCPKHFHSA-N	420.488	3.646	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)cc1	920866445	CMNLRECCXLHUJU-JKSUJKDBSA-N	419.472	3.802	10	20	HHCD	
CCN(CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1	921123962	ZWCDUNATICCURZ-UHFFFAOYSA-N	424.589	3.577	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)c1	1117453775	ROKZHBANPRMXHX-HKUYNNGSSA-N	401.938	3.683	10	20	HHCD	
C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1789208545	UKYYZYZUZQYHJM-RDTXWAMCSA-N	409.486	3.677	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O)O[C@H](C)C2	13067008	NRLWQZYIPJJSNJ-ZSAINHDTSA-N	421.540	3.865	10	20	HHCD	
CC(C)NC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	148500803	CPBKAANQZVMNFA-QGZVFWFLSA-N	410.518	3.544	10	20	HHCD	
COc1ccc([C@H]2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)C2)cc1	216547889	YPLFTMZYCZQGKB-FQEVSTJZSA-N	411.571	3.948	10	20	HHCD	
CC(C)N(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	302926392	BULUWRUIPGBCKW-JYRVWZFOSA-N	413.362	3.517	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc3nn(C(C)C)cc3c2)n(C)c2ccccc12	472795254	YWMBTSRKXKOUMU-UHFFFAOYSA-N	403.486	3.672	10	20	HHCD	
CC(C)COC(=O)N1CCC(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1	726163697	YWOONVCFCZPSFU-UHFFFAOYSA-N	401.551	3.798	10	20	HHCD	
COCCOc1ccccc1CNC(=O)N(Cc1ccco1)Cc1ccccc1O	726238961	XLUPMNYKSLDQFK-UHFFFAOYSA-N	410.470	3.922	10	20	HHCD	
COC(=O)Nc1cc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)ccc1F	727596089	HDDVFXVEIRMYEQ-UHFFFAOYSA-N	416.453	3.757	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(OCCCN(C)C)cc2)c(C)n1-c1ccccn1	728552390	AUYVMKUTHNOADF-UHFFFAOYSA-N	406.530	3.750	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1	728951061	YTAYYCIFOUPVDW-HUUCEWRRSA-N	403.910	3.941	10	20	HHCD	
CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)N1CCCCC1	729324856	JJBCIBARSVLCPZ-HMFYCAOWSA-N	405.558	3.566	10	20	HHCD	
COC(=O)[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)Cc1cccc(C)c1	730221393	JSVBHXAUGLOJAL-HXUWFJFHSA-N	405.498	3.559	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2(Sc3ccccc3)CCCC2)c1	731838695	NGWGOAUEQOKFGZ-UHFFFAOYSA-N	420.556	3.599	10	20	HHCD	
Cn1ccnc1COc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1	731845400	ZZBIZUUXAZRDAQ-JOCHJYFZSA-N	407.514	3.886	10	20	HHCD	
CCc1ccccc1-n1cnnc1SCC(=O)NCCCSc1nccs1	733880258	DDNQDDHXURQBGN-UHFFFAOYSA-N	419.601	3.677	10	20	HHCD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCCCSc3nccs3)C2)c1	733880313	GVPGMWHLICMCEV-INIZCTEOSA-N	418.588	3.994	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCCc2ccc(-c3csc(C)n3)s2)c1	734065297	ZGIUYDWGJZBSMN-UHFFFAOYSA-N	403.529	3.936	10	20	HHCD	
O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1C(C1CC1)C1CC1	734880468	NRTFMLKUPMZYKK-LZYBPNLTSA-N	400.504	3.796	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c(SC)cc1OC	741300844	NDXMVNHRJVTMNI-LICLKQGHSA-N	424.613	3.721	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	743718750	KQZHAUZQFYDDJF-QGZVFWFLSA-N	412.917	3.589	10	20	HHCD	
Cc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(O)c1	743725139	FTFLMJCICZUZPU-IBGZPJMESA-N	413.518	3.762	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(OCCN2CCCC2)CC1	744760175	SEDAJCXHTLBXGK-UHFFFAOYSA-N	401.576	3.873	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1COc2ccccc2C1	745614968	KANVAHWTMZAAIS-INIZCTEOSA-N	405.292	3.690	10	20	HHCD	
CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)s1	751355957	JAKSMLHJSXVNNL-CQSZACIVSA-N	422.572	3.784	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nc(O)c2ccccc2n1	751944705	JIGKIENLTICCIP-LBPRGKRZSA-N	406.467	3.883	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc4c(cc3Cl)OCCO4)CC2)cc1F	753868463	XJRSECXEHAZNIG-UHFFFAOYSA-N	421.856	3.613	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3ncc(F)cn3)CC2)c(C)n1-c1ccc(Cl)cc1	760127154	NKNABIVYEWTTHA-UHFFFAOYSA-N	413.884	3.639	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](CN1CCCC1)c1ccccc1	761030794	OLFDEQIGPPNPOZ-IBGZPJMESA-N	413.905	3.647	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Cc1cccc(I)c1	761523403	OARKSJUKZQTMGM-UHFFFAOYSA-N	409.267	3.978	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](C[C@H]1CCOC1)c1ccccc1	761682227	HUJZTQKXHICGAB-DNVCBOLYSA-N	414.889	3.978	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@@H](CO)Cc2ccc(Br)cc2)c1O	763426347	UCVBRTMANJPCEJ-ZDUSSCGKSA-N	414.727	3.758	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](c3ccccc3OC)c3nccn3C)CC2)cc1	764817222	XHFKORIVIMGSJV-HSZRJFAPSA-N	406.530	3.785	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCCN(c2cccc(F)c2)C1	765498090	INXPYRVDHWYXPJ-OAHLLOKOSA-N	422.298	3.762	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@@H](O)c3ccc(-c4ccccc4)cc3)cc2)CC1	766465265	DCLCMGAQZPHKGM-AREMUKBSSA-N	401.554	3.929	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)nc1	766748526	KWDPUNHAFXMDLO-UKTHLTGXSA-N	407.517	3.902	10	20	HHCD	
Cc1ccc(O)c(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1	768153183	AEIRKEIVTJKPJM-UHFFFAOYSA-N	415.342	3.514	10	20	HHCD	
O=C(c1ccc(F)cc1)N1CCCN(Cc2cc(Br)ccc2O)CC1	768252447	OGUXAIXAPGMNBA-UHFFFAOYSA-N	407.283	3.642	10	20	HHCD	
CCc1ccc(CS(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	768837815	GPFLIFDVSFIMTL-UHFFFAOYSA-N	424.513	3.939	10	20	HHCD	
CC(C)CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H](O)c1ccc(F)cc1	769446663	PUDJPKWPGZSUJV-HSZRJFAPSA-N	404.501	3.993	10	20	HHCD	
CC(C)[C@H]1CCCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769872827	PMYKMRNQOCZCQN-MRXNPFEDSA-N	408.545	3.905	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H]2CCC[C@@H]21	769919737	FUNDQRRQKKZUSY-BBRMVZONSA-N	406.529	3.659	10	20	HHCD	
Cc1nc(CCCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cs1	770355860	MAVUKWIAQJOOGF-QGZVFWFLSA-N	407.967	3.914	10	20	HHCD	
CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1	770737082	ABSQORHNTVZWTJ-UHFFFAOYSA-N	423.513	3.596	10	20	HHCD	
C[C@@H](NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1ccc(N2CCOCC2)cc1	771299412	ATYXZJRSTBPOSU-MRXNPFEDSA-N	419.481	3.604	10	20	HHCD	
COCCN(CCOc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773627549	OODDSKXRVXQMMG-QGZVFWFLSA-N	403.498	3.690	10	20	HHCD	
COc1cccc(-n2ccnc2SCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775407778	WKJZGQQBLIMYPV-INIZCTEOSA-N	410.543	3.916	10	20	HHCD	
COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC3	776239956	SPASXSLRZCSLJX-HNNXBMFYSA-N	420.513	3.849	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1F	780429013	IICGWHMAUKHQQH-KXBFYZLASA-N	419.463	3.955	10	20	HHCD	
C[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCN1CC(C)(C)O	782012092	KSXGKZUWNLSNJW-SFHVURJKSA-N	409.534	3.818	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1	783483230	PLDIFGYGHNIYAA-INIZCTEOSA-N	416.481	3.960	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1	785439192	MPOYUCHWDJSWGN-UHFFFAOYSA-N	420.340	3.867	10	20	HHCD	
Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3cc(Br)cc(C)c3O)n2)c1	787335131	SWMPGPAXICMNHW-GFCCVEGCSA-N	402.296	3.802	10	20	HHCD	
CC(C)(C)Cc1csc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)n1	789554050	QZADCJDJUYAOOJ-UHFFFAOYSA-N	401.532	3.571	10	20	HHCD	
Cc1ccccc1[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789854763	LLHBQZAMYYMWGV-JOCHJYFZSA-N	423.582	3.528	10	20	HHCD	
CC(C)CC1(CNC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CCCC1	789865026	VIAYYLOHUAQFQQ-UHFFFAOYSA-N	417.619	3.579	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(Nc2cccc(Br)c2)CC1	790214778	GUMJGRGWRZMXQQ-ALCCZGGFSA-N	417.303	3.977	10	20	HHCD	
O=C1/C(=C/c2ccc([N+](=O)[O-])c(O)c2)SC(=S)N1CCc1ccc(F)cc1	790591376	QWVMAZSDWVLBOG-YBEGLDIGSA-N	404.444	3.883	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1	790833987	HPEDPXRYEWYUKR-SFHVURJKSA-N	410.562	3.786	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccccc2SCc2cn3ccccc3n2)C[C@H](C)S1=O	791172547	HZHAQHOOONQEJY-HOTGVXAUSA-N	413.568	3.608	10	20	HHCD	
Cc1ccc([C@@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccccn2)cc1	791641747	WRUFILYMDUABAZ-RUZDIDTESA-N	402.542	3.794	10	20	HHCD	
CCCCn1ncc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1C(C)C	792236420	LVVJCPTVWBGUGC-UHFFFAOYSA-N	412.534	3.646	10	20	HHCD	
COc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc([N+](=O)[O-])c1C	792537474	AUAVDESARANFHD-UHFFFAOYSA-N	403.398	3.874	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(O)c1	793019109	KCUIBCFYXKPSIS-OAHLLOKOSA-N	420.469	3.609	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C/c2c(F)cccc2Br)SC1=S	794869995	PFEUUPRKXXATRH-XFFZJAGNSA-N	404.282	3.654	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNCc3cscc3Br)cc2)C1	796275219	GOOSHBLGKUYLEX-AWEZNQCLSA-N	408.365	3.502	10	20	HHCD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	798060865	NDUCXYZQPAHHIQ-MQNAVGNWSA-N	409.530	3.838	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CSc3cccc[n+]3[O-])cc2Cl)C1	800571608	LFMLMLTVICTQPA-OAHLLOKOSA-N	405.951	3.618	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccnc(OCc2ccccc2)c1)c1ccc(N(C)C)cc1	800628264	WCGVWVCKRIIGQJ-QGZVFWFLSA-N	418.497	3.543	10	20	HHCD	
CS(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)c(C(F)(F)F)c1	804373159	WMSXYIMJWVLLSZ-UHFFFAOYSA-N	414.449	3.558	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1)c1nc(C)cs1	804885501	BOEYMFWHVFOMLQ-GOSISDBHSA-N	402.564	3.524	10	20	HHCD	
Cc1ccccc1[C@H](NC(=O)C(=O)NCCCSc1nccs1)C(C)(C)C	806275970	BDWSNCJASLALBU-INIZCTEOSA-N	405.589	3.954	10	20	HHCD	
Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	806831251	SUNZVPDFUOIJFG-UHFFFAOYSA-N	408.546	3.696	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3ccc(S(C)(=O)=O)cc3F)cc2F)C[C@@H](C)O1	807931114	ZAOPLGUWBDLAMH-ZIAGYGMSSA-N	410.486	3.594	10	20	HHCD	
Cc1cc(C(=O)N(CCOCCO)C(C)C)c(C)n1-c1ccccc1Br	819728263	UXDXHVQDHMUHTE-UHFFFAOYSA-N	423.351	3.716	10	20	HHCD	
O=C(CCn1c(S)nnc1-c1cccs1)NCc1ccc(N2CCCC2)cc1	915082672	QDYJZIZXUGJXCN-UHFFFAOYSA-N	413.572	3.602	10	20	HHCD	
Cc1cc(C)c(NC(=O)CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)c(C)c1	1116440971	BCWSUONMKGMBBT-UHFFFAOYSA-N	412.553	3.573	10	20	HHCD	
CN(C)[C@H]1CCCC[C@H]1NCc1cc(Br)cc(Br)c1O	1116476101	KREUJSGNJQOZAR-KGLIPLIRSA-N	406.162	3.880	10	20	HHCD	
CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(N2CCN(C)CC2)c(F)c1	1318375019	YVVNXBZFJMAKLU-FQEVSTJZSA-N	402.901	3.817	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3c(C)cc(Cl)cc3C)CC2)cc1	1319469754	RIJGPSXOSQWVHJ-UHFFFAOYSA-N	416.953	3.909	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(N2CCCCC2=O)cc1	1323929533	MIQCXNIQBDSHSU-LJQANCHMSA-N	424.564	3.945	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	5111094	ZQTBQWJUEDZERW-UHFFFAOYSA-N	405.431	3.627	10	20	HHCD	
CN(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc(N2CCCCC2)cc1	16386724	NACIOABOWNFRNS-UHFFFAOYSA-N	409.530	3.909	10	20	HHCD	
COc1ccc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC	54035511	ICSIMWLUFKUSHL-UHFFFAOYSA-N	400.544	3.506	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(C)n1-c1ccccn1	106072935	NTYIBSYCGFQYPS-QGZVFWFLSA-N	400.486	3.903	10	20	HHCD	
O=C(CCCNC(=O)NC1CCCCC1)NCc1ccc(N2CCCCC2)cc1	116034194	IXBZGFJVZVDVJX-UHFFFAOYSA-N	400.567	3.705	10	20	HHCD	
COc1ccsc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	303314737	TWFYYMMFCBYSCR-UHFFFAOYSA-N	400.422	3.542	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CCc2ccccc2O)C1	444363138	HGLAODPORIXEAU-UHFFFAOYSA-N	405.542	3.815	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2ccco2)c(C)n1-c1cccc(Br)c1	725883681	GHSLMBZCWUWQBC-KRWDZBQOSA-N	403.276	3.913	10	20	HHCD	
COc1c(Cl)cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl	726284949	JRRKOTMAPWUDQG-UHFFFAOYSA-N	422.312	3.857	10	20	HHCD	
C[C@@H](Cc1cccc(O)c1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726709678	WSJZXDBEURZDRC-HNNXBMFYSA-N	419.472	3.893	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cc(-c4ccccc4)on3)CC2)cc1	726850712	ASPDJXKBWDSQFQ-UHFFFAOYSA-N	406.486	3.772	10	20	HHCD	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)ccc1OC	726986460	QEMAWEXGSIYZLY-YBEGLDIGSA-N	402.497	3.903	10	20	HHCD	
COCCOc1ccc(F)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1	727590542	AABJDFCAGKOPCZ-UHFFFAOYSA-N	419.522	3.726	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)c1	728954982	AOPBJCWGUCCUBB-ZFWWWQNUSA-N	419.909	3.702	10	20	HHCD	
CNC(=O)C1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CCC1	730045610	KOHLXGILJYYNRG-UHFFFAOYSA-N	410.514	3.860	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)Nc3ccc4c(c3)CCC4)cc2F)CC1	730156718	LAPWBOMSOCNWHF-UHFFFAOYSA-N	412.578	3.943	10	20	HHCD	
CC(C)(C)c1ccccc1OCCNC(=O)NCc1ccc(N2CCOCC2)cc1	731221732	JLKWJNRDQGCIKS-UHFFFAOYSA-N	411.546	3.699	10	20	HHCD	
CCc1cccc2c(CCNC(=O)NCc3ccc(N4CCOCC4)cc3)c[nH]c12	732241853	HRAMWNKAJPNORW-UHFFFAOYSA-N	406.530	3.609	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)c3cnn(-c4ccccc4)c3)cc2)CC1	733775974	XKHPXPPCUFPCDG-UHFFFAOYSA-N	402.498	3.608	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1	733851018	VULYCUYVLADNLJ-UHFFFAOYSA-N	404.470	3.537	10	20	HHCD	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCCSc1nccs1	733973167	WBGRYYMKNXLYOM-UHFFFAOYSA-N	404.536	3.926	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	734471296	LTFFSSVNNRKFDM-XMMPIXPASA-N	415.537	3.719	10	20	HHCD	
COc1cc(N(C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc(OC)c1OC	741796035	ZTDHCZBXLRMQPQ-UHFFFAOYSA-N	413.518	3.696	10	20	HHCD	
CCc1noc2ncc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12	742802030	VWCJMAJMEPQOCC-AWEZNQCLSA-N	416.428	3.785	10	20	HHCD	
CC(C)Cn1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	743223455	MGMJYTIWQZDQCQ-HZPDHXFCSA-N	403.502	3.614	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)NCC1(c2ccc(F)cc2)CCOCC1	743562682	XGWKTEPVLSFUCN-UHFFFAOYSA-N	412.505	3.958	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)Cc1cccs1	743646600	WDLXZVVCBCRKGI-OAHLLOKOSA-N	405.539	3.526	10	20	HHCD	
CCCCO[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C	748970497	NRYBPKGFBABADP-SFTDATJTSA-N	403.567	3.648	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@H](c3ccccc3)c3ccc(F)cc3)cc2)CC1	749133225	WPQOXHRSOJQBFM-XMMPIXPASA-N	424.541	3.940	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	749731151	KQYOZJLKNMGVKI-UHFFFAOYSA-N	421.878	3.635	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3CCC[C@@H]4CCCC[C@H]43)sc2n1	749819634	ADRHJELNTWJRKD-LSDHHAIUSA-N	401.532	3.833	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccc(OC)cc3)cc2F)CC1	749984445	XEYTZECNXRAUAN-GOSISDBHSA-N	413.537	3.786	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CS(=O)(=O)C(F)F)cc1	751567978	WUYILXHEWGBFGS-UHFFFAOYSA-N	422.497	3.744	10	20	HHCD	
COC(=O)c1c(C2CC2)csc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1	752713051	JXNHJJGAUOAJIO-UHFFFAOYSA-N	415.515	3.775	10	20	HHCD	
CN(C)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2Br)cc1	755070768	LCVOPJDOTFCXPV-UHFFFAOYSA-N	403.729	3.647	10	20	HHCD	
COc1c(F)ccc(F)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	755199130	BBLSVNZOCYJSFX-BETUJISGSA-N	408.420	3.656	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc3nc(O)n(C)c3c2)cc1	755375814	RGVJDKVGOKXBLF-UHFFFAOYSA-N	406.408	3.550	10	20	HHCD	
C[C@H](NCCSCCCO)c1cc(Br)cc(Br)c1O	756541126	BUUZMWFHOJCNAQ-VIFPVBQESA-N	413.175	3.683	10	20	HHCD	
C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc(Br)c(F)cc1O	756804446	LNVIUQUFIVWHLA-LLVKDONJSA-N	411.271	3.934	10	20	HHCD	
Cc1noc(C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)c2ccccc2)n1	758838248	GPTXBRGBTVAGSA-OAQYLSRUSA-N	403.486	3.537	10	20	HHCD	
CCCCCC[C@@H](C)NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759215843	HWYKFCYMDLXWOY-QGZVFWFLSA-N	407.555	3.903	10	20	HHCD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN(C)c1ccc(OC(C)C)cc1	759927922	IDPWVBDWPBFCCO-UHFFFAOYSA-N	400.519	3.976	10	20	HHCD	
C[C@@H](NC[C@@H](CO)Cc1ccc(Br)cc1)c1cc(F)cc(F)c1O	760034346	MTVNODOXRPGOLW-YPMHNXCESA-N	400.263	3.935	10	20	HHCD	
CC(C)(C)OC(=O)N1CCc2c(NC(=O)NCCc3ccc(O)c(O)c3)cccc21	761656535	LDFSDSYXFBUPKZ-UHFFFAOYSA-N	413.474	3.760	10	20	HHCD	
CCCSc1nsc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	762953288	PZMGTXCVYFQTRU-UHFFFAOYSA-N	407.565	3.541	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)cc1F	763026780	YAGUTCSDTVUVEV-HXUWFJFHSA-N	415.900	3.867	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1CC(C)C	767089696	SEOCLPGNSBVNEY-GOSISDBHSA-N	404.942	3.601	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	769173436	PHBOLLXPVMKXQP-HXUWFJFHSA-N	401.551	3.547	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1Oc2ccccc2O[C@@H]1C	769289948	GQSWABQAOXONAQ-KZULUSFZSA-N	406.276	3.732	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(N3CCOCC3)nc2C)cc1F	770274397	HWMLDNNZPJLHAO-UHFFFAOYSA-N	415.513	3.534	10	20	HHCD	
CCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1C	771103822	NTZQKMOVUVIQOK-UHFFFAOYSA-N	418.541	3.852	10	20	HHCD	
C[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1	773992889	GJUYCQMGAXMPIN-AWEZNQCLSA-N	418.335	3.512	10	20	HHCD	
C[C@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1O	774490242	GNJGFVBNJZFVQL-JTQLQIEISA-N	418.393	3.574	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1O	774877944	NBLLHXINMVTLMW-UHFFFAOYSA-N	410.430	3.739	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1O	775031181	ZBMCBEKQADSSBV-VFZGTOFNSA-N	401.246	3.828	10	20	HHCD	
CC[C@H](NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccccc1O	775484597	GDICIQMQSNHSCI-VQTJNVASSA-N	400.519	3.524	10	20	HHCD	
CC[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1O	775518056	CFCFGXRRNQHMGI-ROUUACIJSA-N	403.320	3.997	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@@H](c3ccccc3)c3ccccn3)CC2)cc1	779037302	YMESCXSZOCBMDS-VWLOTQADSA-N	402.542	3.591	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1	779503662	SEPVSMONBYMJOW-OQFOIZHKSA-N	415.877	3.531	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784112762	OLBMOFDJFZAZFS-UHFFFAOYSA-N	417.513	3.925	10	20	HHCD	
O=C(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)OCC(=O)c1ccc(O)c(O)c1	784630059	NVHZOPZMVYUWJW-OAQYLSRUSA-N	422.433	3.526	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)cc1	788940383	RTHPQFYIHKXXRA-FPOVZHCZSA-N	411.521	3.741	10	20	HHCD	
Cc1nn[nH]c1C(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	791047530	WPXMLRVPRBCKLT-UHFFFAOYSA-N	406.364	3.579	10	20	HHCD	
CCC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H](O)c1ccccc1	792035595	MAGGCCYWDMJHOE-FGZHOGPDSA-N	413.587	3.941	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(O)c1	792954480	INQVRMLLZIHGGL-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
COc1ccc(CNC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c(O)c1	794370206	NNFGMOWRLOXHNL-UHFFFAOYSA-N	414.483	3.780	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(C)nc3cc(Br)ccc23)c(O)c1	794381809	ONZFIIBLBXAIQT-UHFFFAOYSA-N	401.260	3.950	10	20	HHCD	
COc1ccc(C[C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1OC	796697641	YFQIBQDSGYSXPP-MRXNPFEDSA-N	402.510	3.709	10	20	HHCD	
Cc1cccnc1[C@@H]1CCC[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1	798926886	NNKSBRAEJKYTSX-FSSWDIPSSA-N	406.574	3.908	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC4(CC3)OCCO4)cc2Cl)C1	799994259	PHPDLQCLLOKYCD-INIZCTEOSA-N	407.942	3.625	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1	804682853	SLLMZTJSYOFEKL-INIZCTEOSA-N	407.536	3.538	10	20	HHCD	
O=C(NCCNC(=O)c1ccc(Cl)cc1)NCc1cc(Cl)cc(Cl)c1O	804902381	DQHZXAGBOGEQHO-UHFFFAOYSA-N	416.692	3.582	10	20	HHCD	
COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F	808114721	GIWAJYOTGGPHRE-UHFFFAOYSA-N	423.249	3.606	10	20	HHCD	
COCCn1c(CSc2ccccc2OC)nnc1N(C)Cc1ccccc1O	812088803	PUMSDPMTKVQZAA-UHFFFAOYSA-N	414.531	3.567	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1ccon1	812162560	UOSGEKNEHNWKQZ-UHFFFAOYSA-N	406.490	3.623	10	20	HHCD	
COCCNC(=O)c1ccc(NCc2c(O)cccc2Br)cc1Cl	864036958	KHGFOFFPNBZNCZ-UHFFFAOYSA-N	413.699	3.796	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)sc2nc3n(c(=O)c12)CCC3	914507009	XKGAIAYCUSFNOS-UHFFFAOYSA-N	424.570	3.829	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(Br)c2)C2CC2)cc1	918455994	NOVQYXNEWFHEFN-UHFFFAOYSA-N	416.319	3.645	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1	918593632	OYPAVCZETJBKFY-UHFFFAOYSA-N	408.483	3.806	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H]3CC[C@@H](C)C[C@@H]3n3cncn3)cc2F)C[C@H](C)O1	1117039583	BXIPGVYQPUUFLP-SKPVNDSZSA-N	401.530	3.550	10	20	HHCD	
CCOC(=O)[C@@H](NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)[C@H]1CCCOC1	1320804224	GEKCGTWXAVFHFV-JXFKEZNVSA-N	418.921	3.836	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O	14215430	XWNRMEQDNMVZGA-XMMPIXPASA-N	412.578	3.957	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)sc2c1CCCC2	97076242	ZAJACUKSTRULMP-ZDUSSCGKSA-N	402.447	3.617	10	20	HHCD	
C[C@H](NC(=O)NCc1coc(-c2cccs2)n1)c1ccc(N2CCOCC2)cc1	140918479	AAMOBLZVEINXOO-HNNXBMFYSA-N	412.515	3.800	10	20	HHCD	
C[C@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	140920292	VZDIYCYZJYCLSG-MSYCTHLASA-N	409.530	3.756	10	20	HHCD	
COCCN1CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1	302912329	DVBXCLXGBXPUFR-UHFFFAOYSA-N	423.479	3.560	10	20	HHCD	
CC(C)COc1ccc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	303260734	DGLMCZPENNGQER-UHFFFAOYSA-N	410.558	3.789	10	20	HHCD	
COc1cc(C(=O)CCC(=O)NCc2c(C)c3ccccc3n2C)cc(OC)c1OC	473294753	WMPIQEPMRKXKMA-UHFFFAOYSA-N	424.497	3.792	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3CN3CCNC3=O)ccc21	476295710	MUUSUMDVNUQIQN-UHFFFAOYSA-N	420.513	3.682	10	20	HHCD	
Cc1c(CNC(=O)N(C)CCc2nc(-c3ccccc3)no2)n(C)c2ccccc12	561778651	VFOUUTRLMBBEPI-UHFFFAOYSA-N	403.486	3.921	10	20	HHCD	
O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N(Cc1ccco1)Cc1ccccc1O	726085812	LHKBVAWNKLYICV-OAQYLSRUSA-N	405.498	3.972	10	20	HHCD	
CCOc1cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)ccc1OC	727176056	FLQJCBDNXLXRCE-BOPFTXTBSA-N	408.589	3.883	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CCC(CO)CC2)c(C)n1-c1ccc(OC(F)F)cc1	728913256	PISFYEFSTJCLOI-INIZCTEOSA-N	406.473	3.971	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(F)c(Br)c2)c1	729052290	XCJBSLOBLALLMR-LLVKDONJSA-N	411.271	3.905	10	20	HHCD	
COc1cccc(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)c1O	729859568	TXGDSDQREFPKIA-UHFFFAOYSA-N	403.438	3.558	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)NCC(=O)c2cccs2)c1C	731688217	LXCPPSXWIVTSNH-UHFFFAOYSA-N	410.495	3.620	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](N4CCCCC4=O)C3)cc2)CC1	732826534	CHGHFCZBROIDTB-QFIPXVFZSA-N	412.578	3.609	10	20	HHCD	
CC[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C)cc1	737517306	LGUYPGQPUJYEAU-RBBKRZOGSA-N	407.558	3.897	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](Cn3cccn3)c3ccccc3)CC2)cc1	741424294	KUTCXHFBTLVCHT-HSZRJFAPSA-N	419.529	3.555	10	20	HHCD	
O=C(NC1CC1)c1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742384758	MAXKKOHPBHRLAG-LJQANCHMSA-N	415.484	3.939	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c1	742444470	XXXZHIXJDLZCGZ-IBGZPJMESA-N	409.829	3.998	10	20	HHCD	
CC(C)(C)c1ncc(/C=C\C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1	742556843	LTAANIJEZJBNRY-ALCCZGGFSA-N	403.523	3.746	10	20	HHCD	
Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1[N+](=O)[O-]	742798669	BNUGXFZOLHYDHA-AWEZNQCLSA-N	405.401	3.903	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	743975693	TUWIAQOURWOPQH-MRXNPFEDSA-N	417.456	3.629	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CC[S@@](C)=O)c(C)n1-c1cccc(Br)c1	746002467	BQSYPGVXVRCHDU-OIRASMEMSA-N	411.365	3.744	10	20	HHCD	
Cc1cc(=NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c[nH]1	747524386	CWQJMMNVEBIXPE-YBEGLDIGSA-N	417.581	3.802	10	20	HHCD	
COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1	747852598	HEILUUYPVQFOIF-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
CCC(CC)N(CC(C)C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	748618695	PTJVJRXZPHZAFO-LJQANCHMSA-N	402.583	3.745	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)n2)cc1C	749738627	VTCULEAVNABLSR-UHFFFAOYSA-N	418.544	3.776	10	20	HHCD	
C[C@H](c1ccccc1)N(CCNS(=O)(=O)c1ccccc1)Cc1ccccc1O	750616135	NUPZBAAKNHIAFC-LJQANCHMSA-N	410.539	3.934	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccn(-c3ccc(F)cc3)n2)cc1	750874754	NIHNPKKYTFNDQC-QFIPXVFZSA-N	422.504	3.899	10	20	HHCD	
CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	751241288	ZSCLSFDJRRZTKG-GOSISDBHSA-N	416.587	3.887	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CO[C@H]2CCOC2)c(C)n1-c1ccc(Br)cc1	753788075	VAJIOXMGLPCVGR-ACJLOTCBSA-N	421.335	3.780	10	20	HHCD	
Cc1ccc2cccc(S(=O)(=O)NCc3ccc(N4CCSCC4)cc3)c2n1	754038947	POEDSGUWMXKJRP-UHFFFAOYSA-N	413.568	3.575	10	20	HHCD	
COc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)c([N+](=O)[O-])c1	756329039	OWPLSKTZSBWIDM-UHFFFAOYSA-N	411.414	3.543	10	20	HHCD	
C[C@@H](NC1COC(C)(C)OC1)c1cc(Br)cc(Br)c1O	757698829	UBKBIUMUTCPRAS-MRVPVSSYSA-N	409.118	3.719	10	20	HHCD	
CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759236248	AZWUIDBGHKOFGM-SJLPKXTDSA-N	405.539	3.513	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(-c3ccccc3)cnc2C)c1	760898496	UHGKCMPKCPCSKF-AWEZNQCLSA-N	405.454	3.587	10	20	HHCD	
Cc1ccc(Br)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	763397828	ZAFFNKWPNJZINA-UHFFFAOYSA-N	417.347	3.896	10	20	HHCD	
Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)CO2	763668254	YKPUNHOETYEEFF-YRNRMSPPSA-N	413.493	3.681	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(C(C)C)cc1	764028120	JMTHSAJBJBWXCR-HXUWFJFHSA-N	402.560	3.867	10	20	HHCD	
O=C(NC1CCCCC1)NC1CCN(Cc2cccc(Br)c2O)CC1	769106830	OJBGRLRNVQIFAY-UHFFFAOYSA-N	410.356	3.751	10	20	HHCD	
CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(N2CCOCC2)c(F)c1	769538695	USBVRAAFQNLYLS-OAQYLSRUSA-N	400.494	3.789	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN([C@H]3CCOC3)CC2)cc1	772714445	YUCNKTBOTFLAQG-FQEVSTJZSA-N	407.518	3.715	10	20	HHCD	
Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)n(-c2ccccc2)n1	773046251	BLQSRDBHAZVESI-GOSISDBHSA-N	405.546	3.986	10	20	HHCD	
C[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(N2CCCCCC2)cc1	773096801	XXESIUFQUBXCOX-PXNSSMCTSA-N	422.616	3.614	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(N(C)C)cc1	773611862	AJRYOXWIWRYNGJ-DJJJIMSYSA-N	418.900	3.711	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)c1ccc(N(C)C)cc1	773844408	APVDMVHYHGXVAE-LLVKDONJSA-N	411.836	3.823	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1F	775053416	XKYAHLCEBSUPKO-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CC[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1O	775488072	GQBQVGCZMVRXJC-ABAIWWIYSA-N	414.285	3.908	10	20	HHCD	
COc1cccc(CN(Cc2cc(OC)c(OC)cc2O)C2CCC(O)CC2)c1	775675041	QHHASQQKIKWMKH-UHFFFAOYSA-N	401.503	3.724	10	20	HHCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(F)c1	776832030	ADCAFDGYTNVZPW-OKILXGFUSA-N	402.441	3.711	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCOC[C@H]2c2ncon2)cc1	778953307	ZZWYAFVPPMAJTP-IBGZPJMESA-N	406.446	3.765	10	20	HHCD	
CCOc1cc(CN(C)c2ccc(OC)c(F)c2)ccc1O[C@H](C)C(=O)N(C)C	780779813	YTLPRJLRZCPCPB-OAHLLOKOSA-N	404.482	3.725	10	20	HHCD	
C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	780821675	SNRZSLQKCUWTGS-ZFWWWQNUSA-N	417.447	3.659	10	20	HHCD	
C[C@@H](OC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1cccnc1	785413990	SFPGCPVIXUUIBV-GFCCVEGCSA-N	404.469	3.568	10	20	HHCD	
CC(=O)Nc1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1C	785533239	TYEMRFODHWVJRW-GASCZTMLSA-N	413.493	3.636	10	20	HHCD	
COC[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	787374775	VOOSACNJGVBNKH-OAQYLSRUSA-N	417.937	3.706	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(F)cc2Cl)cc1	788955902	XNMLZNMZPUEKGR-UHFFFAOYSA-N	405.901	3.600	10	20	HHCD	
COC(=O)[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccc(Br)cc1	792175876	ZEEOAQPTZPXWCS-HNNXBMFYSA-N	402.647	3.951	10	20	HHCD	
CCOc1ccc(CNc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)c(O)c1	796401562	FBVUIDVFRARWAI-UHFFFAOYSA-N	422.547	3.832	10	20	HHCD	
C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1-n1ccnn1	796695221	NVRAFPIFWVMRGU-KURKYZTESA-N	409.509	3.871	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1	798060847	MEIUFFUTLRWTNG-WIBUTAKZSA-N	401.457	3.718	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(CCCc4cccs4)n3C)CC2)cc1F	800767544	FPTOCIPVGWRZKK-UHFFFAOYSA-N	415.538	3.526	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1	802343915	ZMRQRJVEBDJQAX-KRWDZBQOSA-N	415.465	3.655	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C3CC3)C(F)(F)F)cc2F)C[C@@H](C)O1	806457442	MGXUWJFPZQWHTR-PSTGCABASA-N	403.420	3.579	10	20	HHCD	
CCC[C@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807291261	VKRUZVCMDHZFKP-JOCHJYFZSA-N	405.542	3.597	10	20	HHCD	
Cc1cc(CC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)c(C)n1-c1ccc(Cl)cc1	807818273	HWYSKAZNHZMIHN-SFHVURJKSA-N	413.949	3.761	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnc(NC(C)=O)s3)n2)cc1	808526415	QFRNCDMRKADTHW-UHFFFAOYSA-N	408.530	3.588	10	20	HHCD	
CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cccnc1	809248049	MVOQMOQNXXCSSU-QHCPKHFHSA-N	422.573	3.586	10	20	HHCD	
Cc1nnc(CCN[C@@H](C)c2cc(Br)cc(Br)c2O)s1	810242921	JANSTAPCVQAABV-ZETCQYMHSA-N	421.158	3.970	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCN(CCC(F)(F)F)CC3)cc2F)C[C@H](C)O1	812824754	JYRYWKIBAHCBQU-HOTGVXAUSA-N	417.491	3.946	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC3CCN(c4nccs4)CC3)cc2F)C[C@@H](C)O1	812824812	MNJIDAIBZGRRGU-HZPDHXFCSA-N	404.555	3.654	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3c(C)cccc3Br)c2)CC1	813202852	PSOODDGHSQKWHA-UHFFFAOYSA-N	416.319	3.678	10	20	HHCD	
CC(C)n1ccnc1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	814639311	MBPFFIGMDCGOPX-UHFFFAOYSA-N	405.479	3.970	10	20	HHCD	
COc1cc(CNc2ccc(S(=O)(=O)NC3CC3)cc2)c(O)c(C(C)(C)C)c1	863995226	OWLMOCKLLXSRKC-UHFFFAOYSA-N	404.532	3.751	10	20	HHCD	
Cc1cccc(OCCNC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	914904235	YEDKKLWHYHKYGM-LJQANCHMSA-N	421.497	3.538	10	20	HHCD	
Cc1cc(CC(=O)NS(=O)(=O)c2cccs2)c(C)n1-c1ccc(Cl)cc1	916755981	VTFGXHYDVJRGHD-UHFFFAOYSA-N	408.932	3.857	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc2ccccc12	916977770	RNAIQDKFWKKJRH-UHFFFAOYSA-N	421.516	3.958	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cccn(Cc3ccccc3)c2=O)C2CC2)cc1	920444868	NRPVZJJTVWHGQI-UHFFFAOYSA-N	401.510	3.767	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	1318189594	OLCJDCXSBUVYER-CXUHLZMHSA-N	418.927	3.606	10	20	HHCD	
CCCCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OC	13362926	MDZZFPWPUUYCPY-VBKFSLOCSA-N	409.529	3.940	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1SCC(=O)N1CCCC1	28046587	SBXKYSXWZXUENF-UHFFFAOYSA-N	423.582	3.931	10	20	HHCD	
COc1cccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1	727242544	AJBMGANPKMPNDT-UHFFFAOYSA-N	403.485	3.578	10	20	HHCD	
COC(=O)CSCc1cccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	729039541	SZWZYEVDKNVGJH-CYBMUJFWSA-N	404.488	3.690	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2occc2CN2C(=O)Cc3ccccc32)c1	729534656	AMSOIKCDFXZAIU-AWEZNQCLSA-N	406.438	3.574	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1	729598262	VENXXSWDFAOVPH-UHFFFAOYSA-N	414.594	3.713	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCCOc3ccc(F)cc3)cc2F)CC1	730193125	WIMLTYOESAMVQD-UHFFFAOYSA-N	417.500	3.582	10	20	HHCD	
CC(C)S(=O)(=O)Cc1cccc(NC(=S)NCCCN(C)c2ccccc2)c1	732722374	AOAZHQJATWMTOA-UHFFFAOYSA-N	419.616	3.823	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1	733609774	KKFAFYDUWRGEIQ-HXUWFJFHSA-N	403.567	3.602	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CC3)cc2F)C[C@H](C)O1	734320819	YYLVHQPUZABSAJ-HOTGVXAUSA-N	400.469	3.926	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3nc(-c4ccc(Cl)cc4)no3)ccc21	734533455	FGNDRJUSXUKLPM-UHFFFAOYSA-N	411.893	3.772	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1n[nH]cc1Br	739020072	JEYCCPGRMWHTHN-UHFFFAOYSA-N	406.328	3.504	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c2)cs1	741097046	JJCKKTWULJPPOK-UHFFFAOYSA-N	418.522	3.750	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c([N+](=O)[O-])c1	741136562	YZYDATKWSMTHAD-UHFFFAOYSA-N	420.447	3.684	10	20	HHCD	
C[C@@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1ccc(N2CCOCC2)cc1	741736221	OIFVREZADACQSG-INIZCTEOSA-N	419.472	3.584	10	20	HHCD	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743057517	TVTSXEGVWXQEFU-CQSZACIVSA-N	406.389	3.987	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCN(C)c1ccccc1	745400609	OXLFOPADLCBYQC-UHFFFAOYSA-N	406.324	3.823	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O	745878179	HDOXOVPGNQGLMK-QFIPXVFZSA-N	408.546	3.788	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(N2CCCC2=O)cc1	746725128	AAHRORGCLFWXDX-QGZVFWFLSA-N	406.530	3.756	10	20	HHCD	
CCCCO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1(C)C	748958484	FOIHBBWPZUYUQS-SFTDATJTSA-N	421.557	3.570	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](OC(=O)c3csc(Cc4ccc(N)cc4)n3)C2=O)cc1	751937725	UVANPRDQVUKRIW-HXUWFJFHSA-N	421.522	3.977	10	20	HHCD	
COc1ccc2c(c1)CC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C2	753286426	MWIZNXVOOCFBQE-IFMALSPDSA-N	410.514	3.649	10	20	HHCD	
O=C(c1ccccc1)N1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1	753527723	SINNALSTRFXEJH-UHFFFAOYSA-N	402.494	3.929	10	20	HHCD	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(Br)c1	753682777	JLJUGRQKQQNXFQ-XYOKQWHBSA-N	400.319	3.824	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCC(C)(C)c3ccccc3OC)CC2)cc1F	753885708	TYOKVCCJSWAXNU-UHFFFAOYSA-N	415.509	3.652	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)CO[C@H](C)c3ccc(Cl)cc3)CC2)cc1F	754180307	TXJPAVNHPVATEF-UZLBHIALSA-N	422.928	3.748	10	20	HHCD	
C[C@H]1C[C@H](NCCNC(=O)c2cccc(Br)c2)c2c(O)ccc(F)c21	756706967	SMUOVJJUGFKYFL-NHYWBVRUSA-N	407.283	3.862	10	20	HHCD	
COC1(CN[C@@H](C)c2cc(Br)cc(Br)c2O)CCOCC1	756762737	VLJUCQAPKNJTFI-JTQLQIEISA-N	423.145	3.763	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(N2CCCCCC2)c1	757555139	DTOCLUQDZZPEJA-UHFFFAOYSA-N	406.479	3.794	10	20	HHCD	
CN(CCC1CCOCC1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	757712084	JGMMHHNBGNEXMQ-KRWDZBQOSA-N	411.493	3.715	10	20	HHCD	
COc1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c(Cl)c1	759886222	JSZSTSUFNZXLKT-UHFFFAOYSA-N	406.910	3.697	10	20	HHCD	
Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	760888577	MARUAICXFQXKIG-UHFFFAOYSA-N	402.498	3.720	10	20	HHCD	
O=C1CCCC(=O)N1Cc1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)cc1	761228198	JKSPZUGEEOIWNK-UHFFFAOYSA-N	403.822	3.605	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](CCO)c2ccc(OC)cc2)cc1F	764400662	KIKRHZAOQRVXJU-HXUWFJFHSA-N	403.498	3.603	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(OC(F)F)c1	765252103	HVVFXLKXPHLUTH-QAPCUYQASA-N	403.473	3.841	10	20	HHCD	
C[C@H](NCCCCN1CCN(c2ncccn2)CC1)c1ccc(N2CCCCC2)cc1	765729994	CBSUBFIJZOVIJP-QFIPXVFZSA-N	422.621	3.720	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc(OC)c(COC)c3)cc2F)CC1	765852546	MNWNQBLZRXEQLP-GOSISDBHSA-N	415.553	3.973	10	20	HHCD	
O=C(c1ccc(Cl)cc1)N1CCN(Cc2cccc(Br)c2O)CC1	768236663	HWFDTIIJTFCAOX-UHFFFAOYSA-N	409.711	3.766	10	20	HHCD	
O=C(NCCc1cn2c(n1)SCC2)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	768333266	KZQAMVNFKKWPFO-UHFFFAOYSA-N	420.498	3.702	10	20	HHCD	
COCCOc1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(Cl)c1	769896860	YVSHGCPPBLZSCI-UHFFFAOYSA-N	418.921	3.726	10	20	HHCD	
COC(=O)c1csc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	770256289	DJOIEXNEGUDGJM-STQMWFEESA-N	421.494	3.609	10	20	HHCD	
COc1ccccc1COC1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	770268607	LDRJMOAPHGGWBI-UHFFFAOYSA-N	415.509	3.791	10	20	HHCD	
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	770831387	QTFCQQFNQOCCKO-VGOFRKELSA-N	415.509	3.580	10	20	HHCD	
COc1ccc([C@@H](C)NC(=O)Cc2noc(-c3ccc(-n4cccc4)cc3)n2)cc1	771721942	BAIACRLMKHYSCG-MRXNPFEDSA-N	402.454	3.956	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N(C)C)cc1	773123706	XZEJPIREARCRTM-SFHVURJKSA-N	408.546	3.939	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1	774043687	LYSHRRXWFDBNGB-UHFFFAOYSA-N	423.538	3.553	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCn1ccc2ccccc21	775065640	YBKKEYPEMKEQLG-UHFFFAOYSA-N	420.557	3.651	10	20	HHCD	
C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(OCC(F)(F)F)cc1	775225921	VOKKWHPQVCTKIG-OAHLLOKOSA-N	409.452	3.661	10	20	HHCD	
C[C@H](NC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1)c1ccc(N(C)C)cc1	776250820	WTLRDFPECMZGMY-SFHVURJKSA-N	410.518	3.730	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@H](C)Cc3ccc(C)cc3)CC2)cc1	778554380	XMBIXFIQMVGTOT-OAQYLSRUSA-N	409.574	3.511	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1oc2ccccc2c1CSc1ncccn1	778914755	LDXBVEIROTXCNY-UHFFFAOYSA-N	407.451	3.856	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc3ncc(Br)cc3c2)c1	780937745	YIPPEHIVFFPOJU-JTQLQIEISA-N	402.248	3.598	10	20	HHCD	
Cc1ccncc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	783003119	XQZXNSYCOBYWJO-HOTGVXAUSA-N	413.477	3.843	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(-c2csnn2)cc1	783313633	CHWJYWRHRGUPIT-UHFFFAOYSA-N	423.542	3.647	10	20	HHCD	
COCCOc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1	784060454	ZYRFWWAWJVNGEV-UHFFFAOYSA-N	411.502	3.598	10	20	HHCD	
COc1ccc([C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C(C)C)cc1	785548841	YTLUPCDMSCQVBN-HSZRJFAPSA-N	423.557	3.766	10	20	HHCD	
CC[C@H](Oc1ccccc1Cl)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	786589451	UPUXKUAGHLKSTB-IBGZPJMESA-N	418.921	3.765	10	20	HHCD	
C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788937887	NYCPSRGRJSZKTH-FDDCHVKYSA-N	405.542	3.733	10	20	HHCD	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC)n3)SC2=S)cc1	790106451	ITBYSFCSYPIZHP-RVDMUPIBSA-N	400.481	3.673	10	20	HHCD	
COc1cc(NC(=O)NCc2cccc(Br)c2O)cc(-n2cccn2)c1	791968963	LUTCXZACXUCAHS-UHFFFAOYSA-N	417.263	3.671	10	20	HHCD	
Cc1c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cccc1N1C(=O)CNC1=O	794274710	HUBXKJQGWCEDOQ-UHFFFAOYSA-N	420.444	3.850	10	20	HHCD	
CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)/C=C\c1ccc(O)c(O)c1	800614665	CIVFKSFPCRFFSO-CLTKARDFSA-N	423.296	3.583	10	20	HHCD	
CC(=O)NCCN(Cc1ccc(C)s1)C(=O)NCc1ccc(N2CCCC2)cc1	800999081	RJRLYRIUOKGVDQ-UHFFFAOYSA-N	414.575	3.505	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(c2cc(CC)ncn2)C1	802150688	ZTVHYSWPRLWJBK-FQEVSTJZSA-N	411.550	3.725	10	20	HHCD	
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@H](C)S1(=O)=O	805013193	ZTCJJRQFTZATQY-UWJYYQICSA-N	421.607	3.563	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@H](c1ccccc1F)C1CCCC1	806279074	DFCBRTFCDWQXMG-KRWDZBQOSA-N	421.563	3.928	10	20	HHCD	
O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCc1cc(Cl)cc(Cl)c1O	807837239	IKJXQLXOJYJRHL-KRWDZBQOSA-N	409.313	3.606	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)ccc1N1CCCCC1	809704449	DLGZODKJNSZBHT-SFHVURJKSA-N	401.429	3.864	10	20	HHCD	
CCN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CCOC(C)(C)C1	810042226	OBFUEKRUTQIDNN-INIZCTEOSA-N	420.509	3.680	10	20	HHCD	
CN(C)c1ccc(CNc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)c(C(F)(F)F)c1	864044936	NXONQPYANCOUHP-KRWDZBQOSA-N	406.408	3.654	10	20	HHCD	
Cc1c(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cccc1[N+](=O)[O-]	915749750	ZKFIYDRJZOPVEF-UHFFFAOYSA-N	420.469	3.608	10	20	HHCD	
COc1cc(Br)cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)c1O	915852526	VBPCLOIVJGKHGO-AWNIVKPZSA-N	423.313	3.964	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2CC)cc1	916503258	JZFRISUIDBRDMV-UHFFFAOYSA-N	413.547	3.813	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3ncnc4sc5c(c34)CCCC5)cc2)C1	917391087	KNUURLVNWYSODK-INIZCTEOSA-N	421.570	3.884	10	20	HHCD	
Cc1cc(C)c2cc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)sc2n1	917832889	JFHGRYOYBSIWSX-KRWDZBQOSA-N	422.554	3.545	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C	1116048821	YAKVQTBQOGGCFS-KRWDZBQOSA-N	406.571	3.930	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	31653199	ILWWNOVZNRNHGI-UHFFFAOYSA-N	406.490	3.933	10	20	HHCD	
CN1/C(=C/C=C2/SC(=S)N(CCCC(=O)O)C2=O)C(C)(C)c2ccccc21	97990681	WJCKMMKGWDUHOL-RWPWKDLBSA-N	402.541	3.907	10	20	HHCD	
COc1cccc([C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)N2CCCC2)c1	195741026	UARBLJZBOZWVHL-DEOSSOPVSA-N	422.573	3.714	10	20	HHCD	
Cc1c(CNC(=O)CSc2nnc(-c3cccs3)n2C)n(C)c2ccccc12	471239648	WJOHWIWULPXLST-UHFFFAOYSA-N	411.556	3.752	10	20	HHCD	
CCN(CC)C(=O)[C@H](Cc1ccccc1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	725844378	RHYZMELQVGUTPX-KRWDZBQOSA-N	405.882	3.523	10	20	HHCD	
Cc1cccc(C)c1NC(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726727420	YYZXPFLHORULDN-UHFFFAOYSA-N	417.456	3.629	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](NC(C)=O)c1c(F)cccc1F	727375592	HFVGUHGJBFDAFF-FQEVSTJZSA-N	403.473	3.647	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(Cl)ccc2N2CCSCC2)c1O	729566375	QISUALAWBPGDFG-UHFFFAOYSA-N	407.923	3.929	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCN(c4ccc(F)cc4)C3=O)cc2)CC1	731016735	WMOIQRNHPSYLRR-QFIPXVFZSA-N	409.505	3.731	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1N(C)C	731131123	AZKNFRIDHJSHAC-UHFFFAOYSA-N	408.546	3.552	10	20	HHCD	
Cc1cccc(N2CCN(C(=O)CN(Cc3ccccc3O)C3CCCC3)CC2)c1	731848127	SXKPTEFJOGJBMB-UHFFFAOYSA-N	407.558	3.794	10	20	HHCD	
O=C(CC[C@@H]1CCCCO1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	731974645	BXKDVEYBAGGNFA-KRWDZBQOSA-N	400.441	3.508	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1	734069720	NGRHOZZABGXIKY-IBGZPJMESA-N	417.937	3.908	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c(OC(F)F)c1	734177762	KNDLCXQDQHVKHD-DHDCSXOGSA-N	414.499	3.592	10	20	HHCD	
CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)n(-c3ccc(F)cc3)c1C)CC2	741234937	YTUDLRYJLIZVGH-SFTDATJTSA-N	400.494	3.625	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(F)c(Br)c3)CC2)cc1	742565273	AWISEHDSGRJZPX-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
CC(=O)c1cccc(OCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742802567	ZRHDQSHWMBUNLP-QGZVFWFLSA-N	418.440	3.655	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccccc1)Cc1cc[nH]n1)c1ccc(N2CCOCC2)cc1	745778540	DGFHATZJTREBQR-LJQANCHMSA-N	419.529	3.719	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nc([C@H](C)OC)no1	747804494	KEWPOWJSGNTREO-LBPRGKRZSA-N	402.476	3.724	10	20	HHCD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)cc(C(C)=O)c1O	748046782	ONRZUCSBEMWIHF-UHFFFAOYSA-N	417.893	3.667	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)N2CCSCC2)cc1	750878465	HUTPARMHAHTSNH-GOSISDBHSA-N	413.587	3.732	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1	752362912	PRWRAMHWLMFXCM-GOEBONIOSA-N	417.447	3.830	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(Cc2ccccc2)no1	752996348	HYOREYVOAFJMBG-QGZVFWFLSA-N	403.486	3.597	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C3(c4ccc(OC)c(OC)c4)CCC3)CC2)cc1	754157196	SAEOBOYGEZCUBX-UHFFFAOYSA-N	424.541	3.873	10	20	HHCD	
C[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccs1	754306800	FZYKRHOMJLEOLB-KGLIPLIRSA-N	410.490	3.816	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cccc([N+](=O)[O-])c1Br	760838090	RBASXWQCCAWCCE-UHFFFAOYSA-N	402.295	3.726	10	20	HHCD	
COc1ccccc1NC(=O)C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1	761192379	MJINNLOBQQVZMR-UHFFFAOYSA-N	404.894	3.914	10	20	HHCD	
C[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1CCOCC1	762400016	WWVRDTMYPCWECS-HKJJFUAXSA-N	424.613	3.661	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(Cl)cc3OC(F)F)ccc21	762645439	LTPWSRMZHHNVSD-UHFFFAOYSA-N	423.847	3.579	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CC[S@@](=O)C[C@@H](C)C3)c2C)c1	763874466	AIPULABFFQZGJG-KUNJGFBQSA-N	404.601	3.699	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(-n2cccn2)cc1	764791651	PBPSURCAELQDHU-CYBMUJFWSA-N	415.291	3.901	10	20	HHCD	
O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)N(Cc1ccco1)Cc1ccccc1O	767170854	IKQKUIOECHAKGA-HXUWFJFHSA-N	411.502	3.631	10	20	HHCD	
CCOc1c(Cl)cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1Cl	767969073	QUCCQFXDKDPBBA-UHFFFAOYSA-N	410.301	3.713	10	20	HHCD	
CN(CCC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1)C(=O)OC(C)(C)C	769664690	XWPWDPVZDLDRJT-UHFFFAOYSA-N	418.582	3.931	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771067192	SBDKTKGDNGQVFT-LJQANCHMSA-N	424.932	3.934	10	20	HHCD	
COc1ccccc1C(=O)NCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	771289925	ZRNYZJLTBHXGPZ-UHFFFAOYSA-N	409.530	3.510	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CCc2c1cccc2C(F)(F)F)c1ccc(N(C)C)cc1	773854358	BQFRKFVDSDVQGZ-ZDUSSCGKSA-N	405.420	3.538	10	20	HHCD	
COc1ccc([C@@H]2[C@H](C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CCC(=O)N2C)cc1	775402356	DEJNQNZLSPPWEI-POCHDABASA-N	409.530	3.548	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1O	775490829	DTJIJXMGDUIIBR-OXJNMPFZSA-N	401.938	3.988	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	778621458	YKCGISABQSIUFT-IEBWSBKVSA-N	416.566	3.732	10	20	HHCD	
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cc(Cl)ccc1Cl	779266127	WSFYCFQLOANZLB-VIFPVBQESA-N	403.287	3.562	10	20	HHCD	
COC(=O)c1ccc2c(c1)CN(Cc1cc(Br)cc(OC)c1O)CC2	779599970	SHMLFNJPRGICRH-UHFFFAOYSA-N	406.276	3.508	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(F)c(F)c(O)c2F)cc1	781084399	NUCKJJJKTAZCRT-OAHLLOKOSA-N	408.420	3.697	10	20	HHCD	
Cc1cc(O)cc(=O)n1CCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1	783697156	NZXHRYIXFARSNF-SFHVURJKSA-N	406.482	3.748	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cnc(N4CCOCC4)s3)c2C)c1	787762181	HSLVRZNXJYXEBE-UHFFFAOYSA-N	410.543	3.626	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1	788911009	MQQIYKALPHWUGD-ISKFKSNPSA-N	419.569	3.821	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)Cc2cc(Br)ccc2F)c(O)c1	793018038	UUYJRAAGRNOTTQ-LLVKDONJSA-N	411.271	3.733	10	20	HHCD	
Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2)o1	797110191	XIFZYSPJFPQTRG-AWEZNQCLSA-N	408.454	3.661	10	20	HHCD	
C/C(=C\Cl)CSCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	797813247	ZNYWJENIVYYZLJ-FMIVXFBMSA-N	412.964	3.800	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1F	799343063	ZMQQOVSCCIRKIN-UHFFFAOYSA-N	423.891	3.598	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(c3ccc(Br)cc3)CC1)[C@H](O)CO2	799944461	ZKFVANMIBLMAIW-LJQANCHMSA-N	404.304	3.960	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)c(C)n1-c1ccccn1	804897287	KAUJWDUHUZQWDE-UHFFFAOYSA-N	406.417	3.534	10	20	HHCD	
CON(CC(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	806443712	SDELRSHBVGGSLF-UHFFFAOYSA-N	403.445	3.661	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1	806839513	HPDGLFNZFOKEKU-UHFFFAOYSA-N	424.501	3.804	10	20	HHCD	
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806878386	QTTZTEPSLOVOPS-HLIPFELVSA-N	422.520	3.525	10	20	HHCD	
CC(=O)N[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1c(F)cccc1F	807837218	HNJFXFNWJQDYMW-HNNXBMFYSA-N	417.239	3.861	10	20	HHCD	
CN1CCN(c2ccc(CN3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)cc2)CC1	809703557	MPPVGIZLLQDBHH-AREMUKBSSA-N	404.602	3.536	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(OC)n1	810485387	BHLURXLVQFBGQV-UHFFFAOYSA-N	419.441	3.769	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@]2(CCc3ccccc3O2)C1)c1ccc(N2CCOCC2)cc1	811865875	CRCPIKDKJZOHRZ-UQBPGWFLSA-N	421.541	3.764	10	20	HHCD	
C[C@H](Sc1nc2c([nH]1)CCC2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	813582831	ZUYXXMJEGPHYTD-LBPRGKRZSA-N	417.490	3.793	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)NCCc2cccc3cccnc23)cc1	857757559	MNFLKHXEDODHOP-UHFFFAOYSA-N	404.558	3.872	10	20	HHCD	
O=C1c2ccccc2N[C@H](c2c(O)cccc2Br)N1C[C@@H]1CCCO1	877845297	GBEDTCSWHBEPIG-SGTLLEGYSA-N	403.276	3.900	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(C)n1-c1ccccn1	914848593	IMPKFSKVOHDOBK-FQEVSTJZSA-N	404.470	3.859	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ccc4[nH]c(C)cc4c3)CC2)cc1	916196448	HHVABGZCBSQYIL-UHFFFAOYSA-N	421.545	3.819	10	20	HHCD	
CCN(Cc1ccncc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916632198	QPGHIYZMNXSHKZ-UHFFFAOYSA-N	422.451	3.669	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Oc3ccc(NS(C)(=O)=O)cc3)c2C)cc1	917510916	DIKSHUFGPBHTCE-UHFFFAOYSA-N	414.483	3.693	10	20	HHCD	
COc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	918224988	YNBDCBGWBWWTPZ-NRFANRHFSA-N	413.493	3.718	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc([C@]4(C)NC(=O)NC4=O)cc3)c2C)c1	918583985	JCXMLVABFDSBCE-DEOSSOPVSA-N	416.481	3.709	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCOCC2)cc1	920872307	RSWXICYAGITJAK-IRXDYDNUSA-N	422.529	3.529	10	20	HHCD	
CN(C)CCN(CCCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1	921243509	XTAYPOMQEYNGGM-UHFFFAOYSA-N	408.590	3.993	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)NC)cc1C	1116148778	QSISBMKSXHTGQA-UHFFFAOYSA-N	420.307	3.877	10	20	HHCD	
CO[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1	1116230970	NTHBVMLGMLKHRJ-HXUWFJFHSA-N	403.523	3.566	10	20	HHCD	
O=S(=O)(c1ccccc1CNCc1ccc(N2CCCC2)cc1)N1CCCCC1	1322611271	OWHPFHINZULLBE-UHFFFAOYSA-N	413.587	3.751	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(O)(c4ccccc4Cl)CC3)cc2F)CC1	1324759789	SKXQBPKIGYZDOO-UHFFFAOYSA-N	417.956	3.715	10	20	HHCD	
O=C(NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3F)cc2)CCC1)c1cc(O)c(O)c(Cl)c1	1791166360	DPHNQIGVGSMCBE-HOCLYGCPSA-N	418.852	3.857	10	20	HHCD	
CCCCC[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2	1846023216	KZUJVPVQKSWFME-CQSZACIVSA-N	408.926	3.785	10	20	HHCD	
CC(C)CC(=O)N1CCC(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	725849514	PKGGKGAZWFZKJV-UHFFFAOYSA-N	402.539	3.712	10	20	HHCD	
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	727155369	XJIRFUNKBSRJSM-PMACEKPBSA-N	419.566	3.564	10	20	HHCD	
Cc1cc(C)n(CCOC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)n1	731692230	RBBFMPYFVBDNDC-UHFFFAOYSA-N	408.841	3.786	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(F)c1	732433495	KYQBQZUOVLFVAS-MRXNPFEDSA-N	402.422	3.531	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	734407422	UVDPJJGGNOLWTJ-OAQYLSRUSA-N	411.546	3.813	10	20	HHCD	
C[S@](=O)c1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	735574915	QVYBGDRNJGEQTP-LJAQVGFWSA-N	423.485	3.816	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	737117787	SMLASVQZWXKBTL-UHFFFAOYSA-N	414.937	3.603	10	20	HHCD	
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	740456780	CKMOZQPTROVLNL-SFTDATJTSA-N	412.486	3.773	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(Cc2cccc(Cl)c2)CC1	740919399	QUIHVBUTMFTAQW-UHFFFAOYSA-N	410.949	3.744	10	20	HHCD	
COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(OC)c1	742797820	HIUXJLSVBGIEPG-AWEZNQCLSA-N	406.429	3.704	10	20	HHCD	
CCOCc1cc(CNCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)ccc1OC	747855080	ZRLZKHXYBFZIMA-UHFFFAOYSA-N	420.575	3.550	10	20	HHCD	
CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCC[C@H](C)C1	751945993	UOEINNIFYQEUCW-YWZLYKJASA-N	415.559	3.756	10	20	HHCD	
Cc1cc(C)cc(N2CC[C@@H](C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)C2=O)c1	752152004	RRDOBLRWVSFIJU-YADHBBJMSA-N	422.525	3.570	10	20	HHCD	
Cc1cc(CC(=O)NCCCNC(=O)C2CCC2)c(C)n1-c1ccc(Cl)cc1	752401205	MEVYCMADXMNXNH-UHFFFAOYSA-N	401.938	3.713	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3nnc(-c4ccsc4)s3)CC2)cc1F	753882265	TZYGAXVOCZLLNB-UHFFFAOYSA-N	419.507	3.768	10	20	HHCD	
C[C@H](NCc1cccc(CN2CCOCC2)c1)c1cc(Br)cc(F)c1O	756433092	VBCMPMQCSVYHTI-AWEZNQCLSA-N	423.326	3.977	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1	759695120	PXAQRYRDOAVFCJ-GNOCETLISA-N	416.493	3.674	10	20	HHCD	
CCO[C@H](C)c1nc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cs1	759886740	QIUWGLIUSDHZGX-OAHLLOKOSA-N	421.563	3.589	10	20	HHCD	
CC[C@@H](NC[C@H](O)c1cc(OC)cc(OC)c1)c1cc(Br)ccc1O	761500639	XXNSMCWEFQYSAN-MJGOQNOKSA-N	410.308	3.946	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)C2Cc3ccccc3C2)NC(=O)OC(C)(C)C)cc1	761949708	CEHSLVNSKFJTKW-JOCHJYFZSA-N	423.557	3.850	10	20	HHCD	
C[C@H](CC(=O)Nc1cccnc1Cl)NCc1ccc(N2CCSCC2)cc1	765081525	RCKDKFWCQOWRFF-OAHLLOKOSA-N	404.967	3.795	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccc(-n4cncn4)cc3)cc2F)C[C@@H](C)O1	765126079	HGWLZHBRMIUDBC-KZNAEPCWSA-N	409.509	3.871	10	20	HHCD	
CCOc1c(OC)cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1OC	765512655	BGFQBECZSXANET-INIZCTEOSA-N	418.509	3.929	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NCCN2CCN(C(=O)C3CCCCC3)CC2)cc1	765954496	RGXUYNSRZMVPEY-FQEVSTJZSA-N	400.611	3.518	10	20	HHCD	
COc1ccc(N2CCCN(CCC(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1	766859072	TYYDNISBOLEQQI-UHFFFAOYSA-N	417.937	3.898	10	20	HHCD	
CCc1cccnc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	767049704	YYUSMKBJBSRGSW-IBGZPJMESA-N	412.534	3.706	10	20	HHCD	
COc1ccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)cc1OC(F)F	768252307	JEOHRWYGCBTDKM-UHFFFAOYSA-N	410.436	3.904	10	20	HHCD	
CC(C)c1c(C(=O)NCc2ccc(O)c(O)c2)cnn1-c1ccc(C(F)(F)F)cn1	768917234	FRWSRGWWZSGRMO-UHFFFAOYSA-N	420.391	3.751	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@]2(C1)OCc1ccccc12	770346524	VSQMXSYICOJGSA-QHCPKHFHSA-N	409.555	3.581	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1	770354799	TXUFJQNWFXDJMH-IAQYHMDHSA-N	405.322	3.813	10	20	HHCD	
CS[C@@H]1CCCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	772589943	HSWFXZZSRDUXEY-SOLBZPMBSA-N	409.571	3.866	10	20	HHCD	
CC[C@@H](NC[C@@H](O)COc1ccccc1Br)c1ccc(N(C)C)cc1	773054653	VYXRATHCAZIDJJ-IEBWSBKVSA-N	407.352	3.996	10	20	HHCD	
COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c(=O)oc2c1	773991492	YUECEPSDBOIJSK-INIZCTEOSA-N	408.498	3.986	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(Cl)n1	777556375	KQBLOAPLEXNFEQ-UHFFFAOYSA-N	413.827	3.829	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC2CCCC2)cc1	778506987	DNTWDQPSGBMGPV-UHFFFAOYSA-N	415.921	3.982	10	20	HHCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1	778750705	CJDSQIQYCFHMKM-AVRDEDQJSA-N	421.557	3.570	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NOCc2ccc(F)cc2Br)cc1F	780359198	JAFLSYVCRXVQNM-UHFFFAOYSA-N	414.250	3.724	10	20	HHCD	
COC(=O)c1scc(C)c1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	785489960	QKXYHBCWZGYYGY-UHFFFAOYSA-N	410.561	3.508	10	20	HHCD	
CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	786254028	AHJCFSJHBXSVKV-LJQANCHMSA-N	423.557	3.564	10	20	HHCD	
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	786434073	IIWRCZOGOKOQOQ-BEVDRBHNSA-N	420.469	3.841	10	20	HHCD	
C[C@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cc(F)cc(F)c1O	793561999	SMGUDTXTCINZKY-VIFPVBQESA-N	409.376	3.944	10	20	HHCD	
c1ccc(CN2CCc3cc(CNC4CCN(C[C@H]5CCCO5)CC4)ccc32)cc1	796304554	KCVXBYDEVIYYDH-RUZDIDTESA-N	405.586	3.982	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(CCC(N)=O)CC1	801961853	RBMNCIPSMGXZAV-UHFFFAOYSA-N	420.561	3.854	10	20	HHCD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	805167411	GHSFKOALACLKRQ-KRWDZBQOSA-N	407.489	3.706	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@@H](C)c3cc(Cl)ccc3O)C2=O)c(OC)c1	806169431	FTZNWFBKZNPOMH-UGSOOPFHSA-N	404.894	3.515	10	20	HHCD	
CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807835984	DCELTZFNSVCESZ-UHFFFAOYSA-N	408.690	3.686	10	20	HHCD	
COc1ccc(C(=O)NCCCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807838181	KFJOXZUTJHQKTC-UHFFFAOYSA-N	411.285	3.534	10	20	HHCD	
CC(C)Oc1ccc([C@@H](CNCc2ccc(N3CCN(C)CC3)cc2)N(C)C)cc1	808427677	AYPSWRZCYUHGMD-RUZDIDTESA-N	410.606	3.618	10	20	HHCD	
CN1CCC(N2CC[C@@H](N(C)Cc3ccc(OCc4ccccc4)cc3O)C2)CC1	809741308	MNEGJWODRVONQE-HSZRJFAPSA-N	409.574	3.572	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c(c1)SCC(=O)N2	810456220	JJILMMOAAXPMQB-UHFFFAOYSA-N	421.316	3.861	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cccc(C2CCC2)c1	812958675	LIZIATAUADNAKT-UHFFFAOYSA-N	409.555	3.762	10	20	HHCD	
CCc1ccc([C@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2)cc1	814284961	VZYUZVAFEJPECT-NRFANRHFSA-N	411.521	3.924	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(N2CCCOC2=O)cc1	814302868	KVCSTVVSYXMPID-IBGZPJMESA-N	408.546	3.636	10	20	HHCD	
CN1CCC[C@H](N(C)C(=O)c2ccc(NCc3cc(Cl)c(F)cc3O)cc2)C1	816602048	HGDAWVJVXYOAFN-KRWDZBQOSA-N	405.901	3.963	10	20	HHCD	
C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)C[C@@H](C)O1	915081070	IOELEULRFKUEBB-BGYRXZFFSA-N	407.558	3.826	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	915707469	OMBUEEQSQYWQQA-KRWDZBQOSA-N	422.978	3.573	10	20	HHCD	
CN(C)CCOc1cccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	916387200	HJGYQCHLIDSXKX-UHFFFAOYSA-N	424.589	3.959	10	20	HHCD	
COc1ccc(N(Cc2ccccc2)C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1	917085557	RTXSVVZIOOSMFE-HSZRJFAPSA-N	411.523	3.839	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)nc1-c1ccccc1	917847226	LZMPQSDLLIBNTR-UHFFFAOYSA-N	413.524	3.812	10	20	HHCD	
CCC[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	918118896	VWVTYRGLKJOPQG-IRLDBZIGSA-N	408.546	3.729	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2C(F)(F)F)C2CC2)cc1	918455998	NSWQSZALZDDDAU-UHFFFAOYSA-N	405.420	3.901	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCN([C@@H](C)c4ccccc4)C3)CC2)cc1	919784533	KVKJOVQKNQOGMY-UNMCSNQZSA-N	422.573	3.752	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	1116421212	KESTVZLZMCZVBJ-UHFFFAOYSA-N	403.866	3.538	10	20	HHCD	
Cc1cc(C(=O)NCCc2nccn2C)c(C)n1-c1ccc(Br)cc1	1123996373	XVVJULSUUBNXLM-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1	1251882072	PBHUJWXUXDALIC-HXUWFJFHSA-N	414.981	3.600	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1	1253864597	WEEPHLHUZFZMRL-UHFFFAOYSA-N	423.391	3.975	10	20	HHCD	
COc1cc(Br)cc(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)c1O	1324777570	ZTJSAGQFQMOGFP-KRWDZBQOSA-N	419.319	3.558	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1	1325023467	LMFDKXYXADQLNK-UHFFFAOYSA-N	421.400	3.557	10	20	HHCD	
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(O)c(O)c(OC)c2)c(OC)c1	21360497	JNOPUSACGSCNMH-QFIPXVFZSA-N	422.437	3.895	10	20	HHCD	
Cn1cc(/C=C\C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cn1	96403119	VZPVZMCZDDFYRM-VQDMZCOGSA-N	401.466	3.951	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1	211368745	HNQPOWZUTFVSHP-GZTJUZNOSA-N	414.508	3.592	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCCOc3cc(C)ccc3C)CC2)cc1	301460444	XTLZDTMPGBQWAX-UHFFFAOYSA-N	414.571	3.773	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3ccc(C(F)(F)F)cc3)cc2F)CC1	303284757	JOHACONVSDJBGI-UHFFFAOYSA-N	423.454	3.845	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1nnn(-c2cccc3cccnc23)c1C	303358214	HDQOSSZDYMOWFF-UHFFFAOYSA-N	401.470	3.882	10	20	HHCD	
CCc1nn(C)cc1-c1noc(Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n1	426623277	MHFHXQVPBJDERW-UHFFFAOYSA-N	404.518	3.802	10	20	HHCD	
Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1NC(=O)c1ccco1	437024780	KFXJQNVJHFYWED-UHFFFAOYSA-N	405.454	3.946	10	20	HHCD	
C[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c2cccnc2O1	682797862	FSNKMWUZJFGQAQ-KRWDZBQOSA-N	411.465	3.816	10	20	HHCD	
CSc1nnc(CCCNC(=O)N(C)Cc2ccccc2O)n1C1CCCC1	728133489	HSBQIAHDGTZZLM-UHFFFAOYSA-N	403.552	3.595	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(OCC(F)(F)C(F)F)nc1	729317587	ZWMNSFNIXMILQL-UHFFFAOYSA-N	411.399	3.891	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1	740813164	VXUIFFOYCXRZBS-UHFFFAOYSA-N	408.545	3.518	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1	740907223	LOIOKOBFPLDDLO-YLJYHZDGSA-N	418.582	3.978	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	741092143	XHSPVHVFGLOLKY-OAQYLSRUSA-N	405.498	3.881	10	20	HHCD	
O=C(CCCc1nc(C2CC2)no1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799196	ILKAMSRDVANKMR-HNNXBMFYSA-N	420.460	3.656	10	20	HHCD	
O=C(NC1CC1)[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743485509	PKIYFHQWDKFHQU-WIYYLYMNSA-N	415.484	3.866	10	20	HHCD	
Cc1ccc(O)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	743725047	BGGQRWCSMPEPOR-IBGZPJMESA-N	413.518	3.762	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C12CCCC2	745918652	NZTNBSVIYCRXON-CEWLAPEOSA-N	402.535	3.821	10	20	HHCD	
CC(C)N(CCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(C)C	746415653	SGSQKFICZRPUIW-KDURUIRLSA-N	422.589	3.747	10	20	HHCD	
CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1	747861054	XHZUUIMBCAJCGM-UPVQGACJSA-N	423.557	3.833	10	20	HHCD	
Cc1cccc(CCNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	748041841	KMVJLHSABPJREA-UHFFFAOYSA-N	416.524	3.535	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cc(F)ccc1F	751467499	QOXYNHOOAJVOAN-UHFFFAOYSA-N	406.248	3.644	10	20	HHCD	
COc1cc(C)cc(CN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c1O	754724160	ZHOJEQUJMPIBCA-UHFFFAOYSA-N	409.313	3.974	10	20	HHCD	
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(Cc1ccco1)Cc1ccccc1O	755998380	DIINNXXWBWLNGK-HNNXBMFYSA-N	403.479	3.610	10	20	HHCD	
CC[C@H](C)NC(=O)CCN[C@@H](C)c1cc(Br)cc(Br)c1O	756458617	XUFTVDHZAXURTP-UWVGGRQHSA-N	422.161	3.873	10	20	HHCD	
CC[C@@](C)(CC(=O)OC)NCc1cc(Br)cc(Br)c1O	757920878	SMYBKIXXPQVXHU-AWEZNQCLSA-N	409.118	3.739	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COc3cccc(F)c3C(N)=O)c2C)cc1	758909426	CPIOZJBCPQFFDD-UHFFFAOYSA-N	410.445	3.993	10	20	HHCD	
COc1ccc([C@H](CNC(=O)NCCCSc2nccs2)N2CCCC2)cc1	759117714	POKKTNXPATVGMW-SFHVURJKSA-N	420.604	3.770	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)ccc1Br	761996471	VQHGCSFNNIFSFO-UHFFFAOYSA-N	416.293	3.751	10	20	HHCD	
O=C(COc1ccc(N2CCCC2)cc1)NCc1cccc(OCC(F)(F)F)c1	762771351	HAKRKBWGXVUNES-UHFFFAOYSA-N	408.420	3.923	10	20	HHCD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)c1C1CC1	763119665	TVTUQPPXZJMIRJ-INIZCTEOSA-N	411.550	3.833	10	20	HHCD	
COc1cccc(O)c1CNc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F	763495878	JFJWRAGMQQAHCJ-HNNXBMFYSA-N	401.482	3.965	10	20	HHCD	
C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2cc([N+](=O)[O-])ccc2O)c1	763495907	JXEZJXZVGFYXBX-AWEZNQCLSA-N	416.453	3.865	10	20	HHCD	
C[C@H](NC(=O)NCc1csc(-c2ccco2)n1)c1ccc(N2CCOCC2)cc1	763594646	KIENXQIHZJFEPO-HNNXBMFYSA-N	412.515	3.800	10	20	HHCD	
Cc1nc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)sc1C	763651141	OOFWVHXFPSDHHT-UHFFFAOYSA-N	424.517	3.872	10	20	HHCD	
Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(N2CCSCC2)cc1	764916432	UTLHSOCKTIALGQ-UHFFFAOYSA-N	404.539	3.935	10	20	HHCD	
COCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	765036005	SRHCFSVMVCRWIF-RTBURBONSA-N	414.546	3.969	10	20	HHCD	
CSc1nccn1-c1ccc(C(=O)NCc2cccc(Br)c2O)cc1	765733246	WDIJNSIAIHZGFA-UHFFFAOYSA-N	418.316	3.992	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCc1cccc(Br)c1O	765734989	BHAWGAVKAXVIIP-CYBMUJFWSA-N	413.312	3.561	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	766250546	YNESPYQRMVOFMH-UHFFFAOYSA-N	424.501	3.799	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1CC(C)C	767089698	SEOCLPGNSBVNEY-SFHVURJKSA-N	404.942	3.601	10	20	HHCD	
O=C(CN1CCC[C@H]1c1ccncc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	767572063	SYRVFPUQECVMPB-NRFANRHFSA-N	411.461	3.633	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)CC2)cc1	769096401	UAVWZTCFGODLMH-UHFFFAOYSA-N	424.501	3.946	10	20	HHCD	
COc1cccc(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c1O	769502952	CHDAEGXRJVAWQK-SFHVURJKSA-N	419.319	3.617	10	20	HHCD	
CCOc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769647923	WNVOZNPBYHJMRQ-UHFFFAOYSA-N	418.496	3.906	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(O)nc(C2CC2)c1	771377583	FYOGVRXARLYZGO-OAHLLOKOSA-N	403.429	3.665	10	20	HHCD	
Cc1cc2ncc([C@H](C)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c(C)n2n1	772446927	UHBSYBHKCSZGRO-BBWFWOEESA-N	411.525	3.950	10	20	HHCD	
COc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c([N+](=O)[O-])cc1OC	773249392	UKEWYKACQCLOCY-UHFFFAOYSA-N	421.494	3.839	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Cc1ccc(F)c(Br)c1	773743323	CGKKQKHTWVJHJV-NEPJUHHUSA-N	410.283	3.925	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1	773749112	OWBATYXDHXNANC-CQSZACIVSA-N	400.475	3.735	10	20	HHCD	
CCN(C)c1ccc(CN2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)cc1	773758099	WMRAPMHZKSQVNG-UHFFFAOYSA-N	409.574	3.818	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(OC(F)(F)F)cc1	774851304	KWEGRRMZJWPDCN-HNNXBMFYSA-N	409.452	3.960	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](c2ccccc2Cl)N2CCCC2)c1O	774942104	HEAREYRMXOPPGZ-SFHVURJKSA-N	405.882	3.889	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cccc4ccccc34)CC2)cc1	778225976	CNJMWCGVXGBUMP-YPKPFQOOSA-N	415.493	3.692	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(Cn3cncn3)CC2)c(C)n1-c1ccc(Cl)cc1	779099417	ZFPDKRXCKBRDGC-UHFFFAOYSA-N	411.937	3.820	10	20	HHCD	
CCOC(=O)c1ccsc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784109160	RZNSNARMAKLWDT-UHFFFAOYSA-N	415.515	3.669	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(C4CCC4)cc3)CC2)cc1	787469802	CVRBSGBMZVHOFD-UHFFFAOYSA-N	407.514	3.640	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@H]1CN(Cc2ccccc2)CCCO1	788019613	LZIPHHOAODZRHG-BJKOFHAPSA-N	410.558	3.664	10	20	HHCD	
CCCCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1	788332481	NQRWABRIVUAODJ-HSZRJFAPSA-N	423.557	3.577	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCCCC3)cc1	789376955	DWIJYJZNFRTSSH-UHFFFAOYSA-N	400.548	3.513	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc3c2OC(C)(C)C3)C2CC2)cc1	789557919	ILEIGMABEGGECJ-UHFFFAOYSA-N	407.514	3.596	10	20	HHCD	
CC1(C)CC(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC(C)(C)C1	789856297	RQIIVVAJUJGREF-UHFFFAOYSA-N	417.619	3.577	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNc3cc(N4CCOCC4)ncn3)cc2Cl)C1	799963013	HESAGIRURTWLHT-INIZCTEOSA-N	401.942	3.815	10	20	HHCD	
C[C@@H]1COCC[C@@H]1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	804619125	BRXYHNDBSJGBJR-RSCROXIHSA-N	424.613	3.518	10	20	HHCD	
CC(=O)c1cc([N+](=O)[O-])ccc1N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	804679849	GAACKBGONGHCTK-UHFFFAOYSA-N	419.437	3.620	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cnn(CCN(C)C)c2-c2ccccc2)cc1	806509486	AZDOWPLNSPXYQG-UHFFFAOYSA-N	419.573	3.888	10	20	HHCD	
COCc1csc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)n1	807002626	NTJHXUVNOBSCRC-CQSZACIVSA-N	410.499	3.605	10	20	HHCD	
O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1Cc1cc(-c2ccccc2)ccc1O	809708223	AZIFDXDIPHQFOO-YADHBBJMSA-N	410.514	3.929	10	20	HHCD	
COc1ccc(N2CCN(CN3C[C@@H](c4cccc(Cl)c4)CC3=O)CC2)cc1F	812284673	IUQFPWJIYLMPOI-KRWDZBQOSA-N	417.912	3.583	10	20	HHCD	
C[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(N2CCCCC2)c(F)c1	812742843	XVIQGTATVBXDKS-GOSISDBHSA-N	410.537	3.921	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)sc2C)cc1	874065872	BOZBBTRIWNYQPF-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916677063	OAGCXPQLTVMGGD-NRFANRHFSA-N	423.513	3.841	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4ccc(F)cc4s3)cc2)C1	917833227	OWXHKMLZUQXODX-MRXNPFEDSA-N	411.502	3.672	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Cl	918294799	YBGSSIZEHMPTTR-UHFFFAOYSA-N	414.845	3.815	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1nnc(-c2ccccc2)s1	920937290	CQTLEXHIARYMRG-UHFFFAOYSA-N	423.542	3.736	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCC(=O)c3ccc(OC)c(F)c3)CC2)cc1	1116347993	IAYSNOBLGDJUPY-UHFFFAOYSA-N	414.477	3.545	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(C(=O)N(C)C)cc3)c2C)cc1	247962672	FUHXADYIUJHEOK-UHFFFAOYSA-N	405.498	3.735	10	20	HHCD	
C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(N2CCOCC2)cc1	301133083	XVOYFALAWGNRBB-KRWDZBQOSA-N	424.501	3.841	10	20	HHCD	
COCCOc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1	482933983	TWGNHTQFBXZHFF-UHFFFAOYSA-N	410.514	3.860	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(C)CCc2cccc3ccccc23)n(C)c2ccccc12	557485855	CVXVIWPCQIRBBX-UHFFFAOYSA-N	413.521	3.957	10	20	HHCD	
CCOc1ccc(CNCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(O)c1	725845729	KCDKJNPMSHDMGS-KRWDZBQOSA-N	418.559	3.501	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccn(-c4ccccc4Cl)n3)CC2)cc1	726561750	PKZJXBBPUAPLDD-UHFFFAOYSA-N	410.905	3.933	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H](c1ccccc1)[C@H]1CCCO1	726706623	OSPGYMDTPLTVJO-FGZHOGPDSA-N	411.571	3.959	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CCCN(C)C2)c(C)n1-c1ccc(Br)cc1	731024867	JNAIFGZKQDCIGO-MRXNPFEDSA-N	404.352	3.928	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc4c(O)nc(S)nc4c3)cc2)CC1	731053898	ZXRZNONPXNDHLN-UHFFFAOYSA-N	408.527	3.790	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)cc1F	731346305	UOZIICWVDKDKID-UHFFFAOYSA-N	424.520	3.968	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(Cl)ccc2N2CCSCC2)c1	734062722	MPTFBENZSJWKBQ-UHFFFAOYSA-N	407.923	3.929	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1	734406163	PHESXIGJBUCPQJ-XFXZXTDPSA-N	405.542	3.629	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccccc2Sc2ccccc2)c1O	737285493	DIMNATLZCFOJKX-UHFFFAOYSA-N	408.479	3.807	10	20	HHCD	
CC(C)(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)no1	741906024	GDEYFOCWXRGWOJ-UHFFFAOYSA-N	411.424	3.758	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@]3(C)CCCN(C(=O)c4ccccc4)C3)ccc21	741915687	RSJASRUVCWCLJN-VWLOTQADSA-N	405.542	3.628	10	20	HHCD	
C[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	744280451	NZMLKZZPAVJCIN-HNNXBMFYSA-N	422.451	3.840	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1	746363204	NSHGOPQBYAWCRH-UHFFFAOYSA-N	424.726	3.766	10	20	HHCD	
CCn1c(SCC(=O)NCc2ccccc2O)nnc1-c1ccc(Cl)cc1	748350530	WJWCKLUZIUWLJK-UHFFFAOYSA-N	402.907	3.733	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@H](c3ccc(F)cc3)c3cccnc3)CC2)cc1	753640806	QCKOGHLGPQKFEP-RUZDIDTESA-N	420.532	3.731	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c(C)n1-c1cccc(Br)c1	753761955	RPOFQAFYVMUIGY-RZFZLAGVSA-N	411.365	3.696	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(CCC(F)(F)F)c1	754199020	ASFRRYQKLYGRTI-UHFFFAOYSA-N	417.431	3.813	10	20	HHCD	
C[C@@H](NC[C@H](C1CC1)N(C)C)c1cc(Br)cc(Br)c1O	756432952	LRFPGSMQFRUVFJ-YMTOWFKASA-N	406.162	3.908	10	20	HHCD	
C[C@@H](NCCCc1cnn(C)c1)c1cc(Br)cc(Br)c1O	756527842	KSOVXFSLJXKIHR-SNVBAGLBSA-N	417.145	3.934	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cncc(N3CCOCC3)c2)cc1)C1CCCCC1	756947143	QQSJPHNVPUXNDG-UHFFFAOYSA-N	408.546	3.617	10	20	HHCD	
Cc1noc(C[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)n1	760052837	RXTXPKYYLXKADH-IERDGZPVSA-N	410.493	3.988	10	20	HHCD	
COCCC1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1	760820790	BTNYWIYTTVIFFN-INIZCTEOSA-N	411.493	3.763	10	20	HHCD	
O=C(/C=C/c1ccc(Cl)nc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761984097	WHJYIAULYFXKHJ-IOMDMTNGSA-N	406.313	3.888	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H](c3ccc(Cl)cc3)c3ccn(C)n3)cc2)CC1	762557809	SPUOIKZEBLUHIB-QHCPKHFHSA-N	409.965	3.705	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccnn1C1CCCC1	764909783	PMTLOBURECTYFM-UHFFFAOYSA-N	422.451	3.784	10	20	HHCD	
C[C@H](CCc1ccco1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765283180	XONLHRVAKLJGNB-GOSISDBHSA-N	409.509	3.646	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)cc1	765638446	MOPRUJVQMCMUPZ-SFHVURJKSA-N	413.537	3.991	10	20	HHCD	
C[C@H](NC(=O)NCCc1csc(C(C)(C)C)n1)c1ccc(N2CCOCC2)cc1	765670208	QAJCQDTWNWYGAL-INIZCTEOSA-N	416.591	3.880	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)cc1	766355982	ITADBVFHDGOHDZ-MSOLQXFVSA-N	404.432	3.955	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)cc1F	767917040	OJFPJUWTXMSNJX-UHFFFAOYSA-N	401.482	3.950	10	20	HHCD	
CCCc1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1	768400295	ABYDBSAJJDSVPA-UHFFFAOYSA-N	407.451	3.528	10	20	HHCD	
CCc1ccccc1-n1cnnc1SCC(=O)NCc1c(O)ccc2c1CCCC2	769562431	BDXFRFHKTNKOGT-UHFFFAOYSA-N	422.554	3.823	10	20	HHCD	
Cc1nc(N2CCOCC2)ccc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1	770260861	QFQWQXGDVRHFHX-UHFFFAOYSA-N	423.561	3.785	10	20	HHCD	
O=C(N[C@@H]1CC12CCCCC2)c1cc(NS(=O)(=O)c2cccs2)ccc1O	771283364	WMOMNFWTIIMTOY-MRXNPFEDSA-N	406.529	3.707	10	20	HHCD	
CS[C@@H]1CCCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1	772589948	HSWFXZZSRDUXEY-XYJFISCASA-N	409.571	3.866	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)cc1	772941089	ZOQGLQRGFMLQMK-UHFFFAOYSA-N	408.424	3.544	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Cc1ccc(F)c(Br)c1	773743327	CGKKQKHTWVJHJV-VXGBXAGGSA-N	410.283	3.925	10	20	HHCD	
CC(=O)C[C@@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	773881743	IEBMPNDQPSLXBQ-GOSISDBHSA-N	419.319	3.677	10	20	HHCD	
O=C(C1CC1)N1CCCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	780472041	BRTXLZPBHICZCG-UHFFFAOYSA-N	403.320	3.752	10	20	HHCD	
CN(C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(OCc2ccccc2)cc1	781960370	GVRSAVYOPPSHEQ-HSZRJFAPSA-N	411.523	3.839	10	20	HHCD	
O=C(Nc1cccc2c1OCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	782651770	VHADZURVSOCFLU-ZDUSSCGKSA-N	405.401	3.807	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1CN1C(=O)CCC1=O	782732670	VTWQPUSKWSLZGU-UHFFFAOYSA-N	422.529	3.844	10	20	HHCD	
COc1cc(Br)cc(CN[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1O	785589938	BPRKLBQYNBPYMP-LLVKDONJSA-N	418.295	3.503	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2C)c1	787593029	KTCJAOBWLMFSON-UHFFFAOYSA-N	407.474	3.985	10	20	HHCD	
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](C)c1cccc(C(F)(F)F)c1O	788612449	MGSYYJASYCJNIY-XIKOKIGWSA-N	405.420	3.900	10	20	HHCD	
CC(C)N(C)c1ccc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1	790948962	NPDTVCGQRHJKLT-ROUUACIJSA-N	400.542	3.969	10	20	HHCD	
CCCOc1ccc(CNC(=O)NCc2ccc(OC)cc2O)c(OC(F)F)c1	792993998	BDNMDNPIFFXFDQ-UHFFFAOYSA-N	410.417	3.790	10	20	HHCD	
Fc1cc(CNCc2c(Cl)nc3cc(Cl)ccn23)ccc1N1CCOCC1	796265204	FKHRSDFHNHEUEH-UHFFFAOYSA-N	409.292	3.907	10	20	HHCD	
C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2c(c1)OCC(=O)N2	796745570	OZMKQMNEQFUPPM-AWEZNQCLSA-N	417.456	3.939	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)c1	801173603	YNXYTXBUYIEFDK-PIGZYNQJSA-N	410.923	3.748	10	20	HHCD	
Cc1ccc(C2=NO[C@H](CNC(=O)NCCCSc3nccs3)C2)cc1C	802243517	CCSJEGPUGQDKKV-INIZCTEOSA-N	404.561	3.735	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCOC[C@H]2[C@H]2CCCO2)cc1)C1CCCCC1	805011262	JPYIBZZVEQXOHP-FCHUYYIVSA-N	401.551	3.545	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCC1(c2ccc(F)cc2Cl)CC1)c1ccc(N(C)C)cc1	807669963	AMRFIMGRFDOHTH-CQSZACIVSA-N	417.912	3.570	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3cccc(O)c3O)n2)CC1	807885704	PBQJCHGHFXNCTP-UHFFFAOYSA-N	419.503	3.921	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1	809367487	KXFJZNAVBIMFLB-SFHVURJKSA-N	409.530	3.608	10	20	HHCD	
COC[C@]1(CN[C@H](C)c2cc(Br)ccc2O)OCCc2ccccc21	810242561	RMOWTMHXAOXTAK-VLIAUNLRSA-N	406.320	3.920	10	20	HHCD	
CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1	811705776	QYRDNYUFPNEGOD-UHFFFAOYSA-N	407.488	3.603	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1	811823366	PJUWWMQHGVVJNZ-UHFFFAOYSA-N	424.450	3.605	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@H](C2CCC2)C1	813661395	KNZYFIIBCJZTNF-QZTJIDSGSA-N	423.504	3.715	10	20	HHCD	
CN1CCC[C@@H](N(C)C(=O)c2ccc(NCc3cc(Cl)c(F)cc3O)cc2)C1	816602049	HGDAWVJVXYOAFN-QGZVFWFLSA-N	405.901	3.963	10	20	HHCD	
Cc1nccnc1CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	818543394	AWXYXBWWVWTPEW-UHFFFAOYSA-N	413.319	3.928	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3nc(O)c4ccccc4n3)c2C)cc1	820023109	MCSDUNFHHUDIQZ-UHFFFAOYSA-N	402.454	3.682	10	20	HHCD	
Cc1ccc(C(=O)NCCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1F	915229058	NIZYOENBJITCDD-UHFFFAOYSA-N	414.481	3.552	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccccc3Cl)cc2F)C[C@H](C)O1	917917836	JDSKZRHUXVGYOZ-KBPBESRZSA-N	412.914	3.571	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1	918113090	WNQZGXGXKIZZFO-UHFFFAOYSA-N	408.329	3.886	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)cn2)cc1C	918444090	KVIMCHFONPAWHT-UHFFFAOYSA-N	405.454	3.793	10	20	HHCD	
CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)o1	919568730	JDGJPBLXFWBVSF-CQSZACIVSA-N	414.483	3.813	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC(NC(=O)c4cc(C)on4)CC3)c2C)c1	1318005281	ICRWVXMQLHPXGD-UHFFFAOYSA-N	420.513	3.734	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2ccc(Cl)cc2C1	1320308779	BPKKQLSQCZCATI-UHFFFAOYSA-N	417.912	3.708	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)ccc1SCC	1320385989	MJRIZQYBGBGPIJ-HNNXBMFYSA-N	423.918	3.767	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	1337826477	MRZPIFFMJMGWFV-NJYVYQBISA-N	419.477	3.645	10	20	HHCD	
O=C(C1CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830735976	ZZTKBHZDTTUVGU-GOSISDBHSA-N	420.937	3.785	10	20	HHCD	
CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)Cc1ccc(N(C)C)cc1	7094884	JTXSEPPLNDAAPG-UHFFFAOYSA-N	423.586	3.706	10	20	HHCD	
Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n(C)n1	21729774	GXMOORITCYJTQH-KRWDZBQOSA-N	411.531	3.502	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(CCN3CCOCC3)CC2)c1	110150654	BOSOEGATSNIECT-UHFFFAOYSA-N	409.574	3.977	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2c(c1)OCCCO2	726565780	UPPGAUMUNSXRAB-UHFFFAOYSA-N	418.440	3.848	10	20	HHCD	
O=C(NCCCc1nc2ccccc2[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1	727227914	DPLVBLJGTIJJFB-GOSISDBHSA-N	408.502	3.592	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1cscn1	728322558	CWPCGVZIVFRCIV-NTUHNPAUSA-N	410.567	3.929	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(OCc3ccccn3)cc2)c1	728947153	OHLKZDRZAALGBR-MRXNPFEDSA-N	407.470	3.935	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2nc(O)c3c(C)c(C)sc3n2)c1	728983348	YNHOIRUDLSRYRN-LLVKDONJSA-N	401.488	3.538	10	20	HHCD	
Cc1cc(C)c(C)c(OCCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	730482547	SLNZQFWFBZTUPL-UHFFFAOYSA-N	400.494	3.673	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)Nc1nccs1	731036175	IEPALXUMUGJMSO-UHFFFAOYSA-N	402.520	3.559	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c(C)n1-c1cccc(Br)c1	733883809	FPYOEEHZTMTCAC-MRXNPFEDSA-N	413.319	3.867	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)c1	734016384	OABWDVBTRLYPHP-UHFFFAOYSA-N	403.276	3.812	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1	734016462	SYHOZUOTYBGUGW-GOSISDBHSA-N	418.493	3.723	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1	734066616	BDRVHBURHUTGIL-UHFFFAOYSA-N	404.894	3.602	10	20	HHCD	
CN(CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc2ccccc2s1	735518298	SMRYJQHGEFFCCC-KRWDZBQOSA-N	411.527	3.646	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCS[C@H](c2ccccc2)C1	735581431	HXVBOBYIRUAJEZ-NRFANRHFSA-N	415.534	3.662	10	20	HHCD	
O=C(NCCc1cc2ccccc2o1)NCc1ccc(N2CCC(CO)CC2)cc1	740469553	RJZLYOMNCJUVQS-UHFFFAOYSA-N	407.514	3.683	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](O)c3c(F)cccc3F)ccc21	740935102	JHDHTKCLFQDZSR-HXUWFJFHSA-N	402.441	3.646	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(Oc2ccncc2)c1	741096700	BOCKPFOEQNMAMX-UHFFFAOYSA-N	414.465	3.505	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cc4cccc(F)c4o3)CC2)cc1	741893425	LPYGMKSEAGGIRC-UHFFFAOYSA-N	411.477	3.523	10	20	HHCD	
CNC(=O)COc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	743148682	FZFRPPGLAXLEMF-UHFFFAOYSA-N	411.502	3.884	10	20	HHCD	
C[S@@](=O)c1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743150700	GSKQLCVDSWNVCC-PEGYKEAPSA-N	423.485	3.816	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1	745882821	PTUBKNRHEUBFCN-GCJKJVERSA-N	408.546	3.868	10	20	HHCD	
COc1ccc(CSCC(=O)NCc2ccc3c(c2)CCCN3C)cc1[N+](=O)[O-]	746814528	NKAPUJILPDQBID-UHFFFAOYSA-N	415.515	3.535	10	20	HHCD	
Cc1cc(CC(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)c(C)n1-c1ccc(Cl)cc1	747472234	XHMRYWBVPGVUNH-NRFANRHFSA-N	420.904	3.709	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3cn(CC(C)C)cn3)n2)cc1	748635199	CQZNCMTXKUSJEY-UHFFFAOYSA-N	406.533	3.862	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1	748822631	IBAWOLIMFJWCLX-LJQANCHMSA-N	418.335	3.798	10	20	HHCD	
COc1ccc(C2(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CCC2)cc1	749405767	IUIXGNDVFPBGPH-UHFFFAOYSA-N	412.505	3.534	10	20	HHCD	
COC(=O)CCN(C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)C1CCOCC1	749406486	KRXJXHYKKNVSOR-UHFFFAOYSA-N	412.530	3.895	10	20	HHCD	
O=C1OCc2c1cccc2S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	751136239	GUOPEQHIWITVFX-UHFFFAOYSA-N	401.484	3.586	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2sc(C)cc2Br)c1	751319114	SSWLSHVWGOEHKJ-VIFPVBQESA-N	406.323	3.573	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1	753189567	KILSDKHRHWARGL-YUXAGFNASA-N	409.530	3.501	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC(OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1	759311822	ACBFUALWQQSOBB-CALCHBBNSA-N	421.557	3.928	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OCC(F)F)nc1	761872764	SGJNUKKPWSNQJE-UHFFFAOYSA-N	415.234	3.856	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(c2ccc(F)cc2Cl)CC1	765665411	PBGOKFUECXJNBD-UHFFFAOYSA-N	417.912	3.847	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1	769282149	LOYWHKKIPWXWSM-LJQANCHMSA-N	412.555	3.863	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(OCC(F)(F)F)c1	770256006	NHPABJLZIOHZKC-UHFFFAOYSA-N	408.420	3.737	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Cn2cccn2)cc1	771058282	MITATFNMLVPKDL-NRFANRHFSA-N	424.932	3.685	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	772312815	JDDMMWFHNWAIKV-CQSZACIVSA-N	405.401	3.903	10	20	HHCD	
CCOC1CC(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)(N2CCOCC2)C1	774475918	JTROOXXHNAXNAG-VFPJAPOESA-N	403.350	3.620	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)c(C)c(C)c1O	775291470	HZTPEFQMLQDPHK-UHFFFAOYSA-N	424.588	3.885	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1	775374536	DBTXUDVMGGNTMS-PXAZEXFGSA-N	410.392	3.756	10	20	HHCD	
CCN1CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)[C@@H](C)C1	777301251	IRROQAITWGCGKZ-DZFGPLHGSA-N	404.599	3.638	10	20	HHCD	
Cc1c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cccc1[N+](=O)[O-]	782895941	HTLQGGPIVDWNBG-UHFFFAOYSA-N	411.458	3.909	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccnc(C2CC2)c1	783035004	ALUJHZGRCQNQTH-UHFFFAOYSA-N	405.420	3.744	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)CCN(Cc2ccccc2O)C2CCCC2)cc1	784159931	QDFRUOOYUMSTRK-UHFFFAOYSA-N	404.488	3.519	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1	788977529	PZDYLEAKTLHOHU-UHFFFAOYSA-N	415.484	3.618	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)CCc3ccc4c(c3)CCO4)cc2)CC1	790017361	CPAQFDOXYGHYOV-UHFFFAOYSA-N	414.571	3.520	10	20	HHCD	
C[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)c1nnnn1C1CC1	791935132	ZARVDWMVHGUFJZ-AWEZNQCLSA-N	404.478	3.980	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCOc3c(Br)cccc3C2)cc1F	792057338	BNOHFXXSCVLLCS-UHFFFAOYSA-N	422.298	3.758	10	20	HHCD	
Cc1cccc(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	792115549	NFKFDSDDUYJWNZ-QGZVFWFLSA-N	404.461	3.502	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(c3cc(Cl)ccc3OC)C2=O)c[nH]1	792567513	DSVNDGGHWXCGGZ-NSIKDUERSA-N	408.888	3.869	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3C[C@@H](C)c4c(C)cccc43)cc2)CC1	792606483	GDRVOEKTPPYUDV-KNQAVFIVSA-N	419.569	3.961	10	20	HHCD	
Cc1c(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cnn1C	794016887	NDHZLEVCQZZXJF-UHFFFAOYSA-N	402.423	3.672	10	20	HHCD	
Cc1cc(CC(=O)NC(C)(C)C(=O)N2CCCC2)c(C)n1-c1ccc(Cl)cc1	794398856	USHONPVJIWZQOQ-UHFFFAOYSA-N	401.938	3.807	10	20	HHCD	
CCOC(=O)c1cc2cc(S(=O)(=O)N(C)Cc3ccccc3O)ccc2s1	795112673	KKFHVUMVIAVCBC-UHFFFAOYSA-N	405.497	3.604	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)C2(CO)CCC2)sc(C)c1-c1ccccc1	795201415	MEULUWKYCLGDBI-UHFFFAOYSA-N	416.543	3.686	10	20	HHCD	
Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	797750792	KUWRMWBRPAFOTA-YWZLYKJASA-N	414.502	3.719	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)CCc1ccccc1)c1ccc(N2CCCCC2)cc1	800505330	VBGOXANGDQZJPC-HXUWFJFHSA-N	400.588	3.985	10	20	HHCD	
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	802547096	WDMMVEAHXWPXDA-UHFFFAOYSA-N	406.461	3.517	10	20	HHCD	
CCc1oc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C(=O)OC	802643893	XCUUISGZDZXBHX-GJZGRUSLSA-N	404.482	3.671	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCCC[C@H]3c3cc[nH]n3)cc2F)C[C@@H](C)O1	806458409	YBMRRJALBKPOCL-ZOCZFRKYSA-N	415.513	3.599	10	20	HHCD	
CC(=O)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(Cl)c1	808015366	PISOKPWAIYTWJA-UHFFFAOYSA-N	407.278	3.943	10	20	HHCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CCO1	808069484	WVALHDBPOOIWQK-UNMCSNQZSA-N	417.594	3.590	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCOC1	812381662	ZIHBIPBVPGALOT-MRXNPFEDSA-N	403.486	3.805	10	20	HHCD	
CCOCc1nc([C@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)no1	812565084	YHIZMAGWIPMUOO-HNNXBMFYSA-N	402.495	3.917	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@@](CO)(c4ccccc4)C3)cc2)CC1	813062403	MAMSIMFONIKPNZ-RUZDIDTESA-N	407.558	3.769	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1	914880233	YRWWGBSZMSKYIG-XMMPIXPASA-N	420.557	3.720	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N3C[C@H](C)c4ccccc43)CC2)cc1	916196731	GLHLQAWRADVJEB-IBGZPJMESA-N	408.546	3.541	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccnc1Oc1ccccc1	918307536	XTMUCHOJTXLPGG-UHFFFAOYSA-N	418.497	3.927	10	20	HHCD	
O=C(CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)NC1CCCCC1	918469086	YWNULQLXPPRJFU-UHFFFAOYSA-N	421.501	3.996	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1	1323350271	SNGMCGUUYDWPHG-UHFFFAOYSA-N	421.888	3.884	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccc(OC)c(OC)c1	1327875549	MGXHZCHWFNJDPI-HXUWFJFHSA-N	401.526	3.836	10	20	HHCD	
C[C@@H](CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)N(C)C(=O)OC(C)(C)C	1340541493	OIALCOWUGHGTRV-DLBZAZTESA-N	409.546	3.958	10	20	HHCD	
CCc1cc(C(=O)OC)ccc1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)c(C)c1	1598238105	XFRSCLBVGPTXCC-UHFFFAOYSA-N	422.506	3.812	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@H](NC(N)=O)c2ccccc2)c(C)n1-c1ccccc1	11495112	KZFDPSVBXVJIDQ-NRFANRHFSA-N	419.481	3.620	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)N(C(N)=O)CC4)ccc21	428031400	KVHJQLIPUVDAST-UHFFFAOYSA-N	406.486	3.598	10	20	HHCD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1	437018518	LQYRMGSXMGRWLZ-INIZCTEOSA-N	413.543	3.547	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]3[C@H](C(F)(F)F)[C@@H]32)C1	683528824	AOKCPSOUNAYURR-ONGXBYRLSA-N	405.464	3.817	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F	727167930	CRUALMDHMVBBQM-QGZVFWFLSA-N	402.438	3.736	10	20	HHCD	
O=C1/C(=C\c2cnc(-c3ccccc3)nc2)SC(=S)N1CCc1cccnc1	727863890	LKWJVNCZZAESLW-WOJGMQOQSA-N	404.520	3.983	10	20	HHCD	
CCC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccn1	729230593	LSBIEOSKDXQKOM-HXUWFJFHSA-N	400.498	3.522	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1	729517877	VWKYLRRICMBYOA-OAQYLSRUSA-N	422.506	3.552	10	20	HHCD	
COC[C@@H]1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1	733178037	ZKWINIJFXUYOOX-DSQDWWTGSA-N	424.613	3.615	10	20	HHCD	
COc1ccc(N2CCN(CCCNc3cnc4cc(F)c(F)cc4n3)CC2)cc1	733894315	ONXWUQLVMXQROX-UHFFFAOYSA-N	413.472	3.541	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2C)c1O	737285671	LJDMOPQIZOANBV-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2nc(-c3ccoc3)no2)cc1	739551629	MIJISXIQLVHVHT-UHFFFAOYSA-N	422.407	3.919	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(CN4CCCCC4)cc3)c2)CC1	739767928	ICUBREBLAOBUTO-UHFFFAOYSA-N	420.557	3.627	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1ccc(Br)c(F)c1	742297624	XGAQXSCAIINNAP-UHFFFAOYSA-N	411.343	3.505	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3occc3-c3ccccc3)CC2)cc1	742920734	NAFYVJJTUGOFQK-UHFFFAOYSA-N	405.498	3.507	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(N(C)C)c(F)c3)cc2F)C[C@@H](C)O1	743830687	VBGCTAKGBANCNE-GASCZTMLSA-N	403.473	3.574	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCc4c(O)cccc43)cc2F)C[C@@H](C)O1	745648822	PNAPZPRFLPKRQJ-QEEYODRMSA-N	413.493	3.632	10	20	HHCD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NS(=O)(=O)c1cccc2nonc12	753957515	QNLHXZHGZZWMKB-UHFFFAOYSA-N	404.448	3.679	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1cc(Br)c(F)cc1O	756453282	DMUSQTYSAFKQBK-ZYHUDNBSSA-N	402.235	3.523	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	757837170	PCPYCOIJSZQSGF-GOSISDBHSA-N	423.504	3.795	10	20	HHCD	
COc1cc(CO)c(OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c(CO)c1	759004124	PLVILEREGOEALU-UHFFFAOYSA-N	409.482	3.657	10	20	HHCD	
C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N(c1nccs1)C1CCCCC1	759598666	XCWJJGAAPBKAQB-QSYFUGGGSA-N	416.499	3.865	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@H](O)c1c(Cl)cccc1Cl	759601890	PRLNNTNAEDCEAX-LBPRGKRZSA-N	406.360	3.965	10	20	HHCD	
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1c(-c2ccccn2)nc2ccccn12	759895195	FJOWWOPVVHPUJO-UHFFFAOYSA-N	412.409	3.967	10	20	HHCD	
CN(C)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1Cl	760945328	XSTJHTKLQUFPKO-KRWDZBQOSA-N	422.312	3.766	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@@](=O)C[C@H](C)C2)c(C)n1-c1cccc(Br)c1	762541182	XNWFAMDSVOBPSF-YMXBGEKHSA-N	423.376	3.697	10	20	HHCD	
CCOc1cccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)n1	763110327	ZIBCLIRMDCICLA-LGMDPLHJSA-N	400.525	3.933	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	764322078	IBTOFCYAFCZRTJ-HOTGVXAUSA-N	406.523	3.690	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)CC2)cc1	764391464	QJQRYJAWYZXPRY-UHFFFAOYSA-N	424.501	3.946	10	20	HHCD	
COc1ccc(NC(=O)N(C)Cc2ccccc2O)c(I)c1	765414173	NVEWRXXCRSGSRZ-UHFFFAOYSA-N	412.227	3.669	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3n[nH]c4cc(C(=O)O)ccc34)SC2=S)cc1	765502986	UVOXYUIFMGXZLB-YVLHZVERSA-N	424.507	3.733	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](c1cccc(F)c1)c1ccccn1	765666447	XYUILUJJKOYMJW-HSZRJFAPSA-N	420.488	3.646	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)NCc3cccc(Br)c3O)cc2C)cc1	765750583	JBEWCGGFMKPXCA-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
CCCCCn1cc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(C)n1	767299904	HTTKHEAFPLZBPP-UHFFFAOYSA-N	413.566	3.812	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1Cl	768014907	BQAQUSUKXLSPGD-UHFFFAOYSA-N	423.966	3.680	10	20	HHCD	
CCCOc1cccc(CC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1	770175898	WNNCOBNDGUUINT-UHFFFAOYSA-N	413.537	3.615	10	20	HHCD	
O=C(CCCC(=O)c1ccc(Br)cc1)NCCc1ccc(O)c(O)c1	772402035	DTTFCERUTPEINA-UHFFFAOYSA-N	406.276	3.572	10	20	HHCD	
CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773026436	RDUVTWMBVHHAHM-LAUBAEHRSA-N	413.587	3.790	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1	774924387	PKGWLCYXOYLDFA-HNNXBMFYSA-N	419.447	3.799	10	20	HHCD	
C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(OCc2cccnc2)cc1	774969853	XXRZOVPVQJWRHM-IBGZPJMESA-N	418.541	3.694	10	20	HHCD	
CSc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C	775135427	BHKWZOZUMMQHNE-KRWDZBQOSA-N	414.527	3.569	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)c1ccc(N(C)C)cc1	775713216	HBTPLDNWCUWXHN-LBPRGKRZSA-N	411.474	3.976	10	20	HHCD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C	775771050	ICVDDSXEVKXROA-MORSLUCNSA-N	411.493	3.616	10	20	HHCD	
Cc1cc(Br)cc(CN2CCC(c3nnc4n3CCCC4)CC2)c1O	775996164	SSZFLXNVFYYHLS-UHFFFAOYSA-N	405.340	3.771	10	20	HHCD	
CCOC(=O)N1CCC([C@H](C)NCc2cc(Br)cc(OC)c2O)CC1	778197251	DYIPQCVVTAOSAP-LBPRGKRZSA-N	415.328	3.510	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCCS(=O)(=O)Cc2ccccc2)c1O	779010617	FLNMQDURUNHDHN-CQSZACIVSA-N	412.349	3.729	10	20	HHCD	
CCN(CC)C(=O)COc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1Cl	779476723	VVMWEZJPYSWDKV-UXBLZVDNSA-N	418.877	3.650	10	20	HHCD	
CC(C)[C@@H]1C[C@H](CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1	782012446	DNIAFLJDOVSNLC-BSIFCXSSSA-N	408.970	3.968	10	20	HHCD	
COc1cc(C)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1OC	784107201	QGLFOUKUUMSGET-UHFFFAOYSA-N	411.502	3.756	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3cnc4ccccc4c3)cc2F)C[C@@H](C)O1	786111598	BGRVSKRLIIQUII-IAGOWNOFSA-N	423.488	3.683	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cc1	788301540	NGJOCRJZZBTNIZ-UHFFFAOYSA-N	409.939	3.911	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3nccc(Oc4ccccc4)n3)cc2)CC1	788552546	KSKXBNJEAVTPDX-UHFFFAOYSA-N	403.486	3.550	10	20	HHCD	
Cc1c([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)oc2ccccc12	788910579	MFJBWBSTTVPGOH-KRWDZBQOSA-N	405.498	3.835	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)cc1	788951746	RTGOYPUCHPHMNR-QFIPXVFZSA-N	411.521	3.864	10	20	HHCD	
CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	789010130	BNPGAGXJHGIACK-HZPDHXFCSA-N	419.477	3.798	10	20	HHCD	
CCn1cc([C@@H]2C[S@](=O)CCN2Cc2c(O)ccc3oc4c(c23)CCCC4)cn1	792715581	SDGXHGNSSYSUJM-RBSBEOHCSA-N	413.543	3.539	10	20	HHCD	
CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1	795549730	ROXUEYOYGTVFKN-UHFFFAOYSA-N	420.487	3.856	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(Sc3ccccc3)c2)c(O)c1	797390435	FQVPUUFHHDYHIG-UHFFFAOYSA-N	408.479	3.807	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc2c(c(O)nn2C)c1C	801549442	ODWQPUGJENOANG-UHFFFAOYSA-N	410.518	3.758	10	20	HHCD	
C[C@H](NC(=O)c1cc(Br)ncc1Cl)c1ccc(N2CCOCC2)cc1	806614282	PBSYIKNDPMGKJV-LBPRGKRZSA-N	424.726	3.825	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)c(N2CCCNC2=O)c1	806804634	KVRJGKWWTORUQY-UHFFFAOYSA-N	412.465	3.652	10	20	HHCD	
CCCCOc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1	807511254	JDQPWFQGOYDUFN-UHFFFAOYSA-N	412.273	3.528	10	20	HHCD	
Cn1ccc(-c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)c1	809500621	WOAKOTFVJUFGRS-GXDHUFHOSA-N	416.553	3.971	10	20	HHCD	
CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	813685612	MKTCUWDMKBYXOC-UHFFFAOYSA-N	406.262	3.562	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C	813811779	IJWKNYNLSKESFQ-HKUYNNGSSA-N	422.545	3.632	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(-c2ccc(Br)cc2)n1	814259191	BTWXERAJDGTOTD-UHFFFAOYSA-N	413.319	3.973	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC(c2ccc(F)cc2)C1	815730230	BGSZDDROOPWNBE-UHFFFAOYSA-N	400.469	3.736	10	20	HHCD	
Cc1ncoc1-c1noc(CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1	820927379	PYWKKXYCYBWNDW-WQLSENKSSA-N	418.525	3.929	10	20	HHCD	
Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	914449999	UBHWYGGRBXJWPY-HSZRJFAPSA-N	424.589	3.934	10	20	HHCD	
COC(=O)c1cc(-c2csc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)n2)c[nH]1	916952919	VTMBWFANGHDFST-UHFFFAOYSA-N	421.482	3.980	10	20	HHCD	
COc1cc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)cc(OC)c1OC	917361373	GYQZBMSSJYTTKT-UHFFFAOYSA-N	411.454	3.783	10	20	HHCD	
CC(C)(C)c1cc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1	917466400	IVBTZDDTVNGYRW-INIZCTEOSA-N	410.624	3.748	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)n2)cc1	917846113	KEVOIZIXTKELCZ-UHFFFAOYSA-N	400.481	3.844	10	20	HHCD	
Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)n1	919968504	BCOFLGJCQXTRAC-UHFFFAOYSA-N	418.541	3.628	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnc(C(C)C)[nH]2)c(C)n1-c1ccc2c(c1)OCCO2	1318684143	ZKOSEVROEBOCNH-UHFFFAOYSA-N	423.469	3.752	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H](C)c3cc(C)oc3C)CC2)cc(OC)c1OC	1321049684	XNWARWLWSGRQCC-HNNXBMFYSA-N	417.506	3.515	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c(C)n1-c1ccccn1	108161145	NLVMGEYSHLTRQU-CALCHBBNSA-N	405.502	3.750	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c1C	108731875	IZQDJOSRLDGMTC-UHFFFAOYSA-N	423.542	3.745	10	20	HHCD	
CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)cc1OCC	206465315	ORJOHLOLCCTNHW-FOWTUZBSSA-N	409.529	3.638	10	20	HHCD	
CS(=O)(=O)c1ccc2ncnc(N(Cc3ccco3)Cc3ccccc3O)c2c1	302865144	XUQVVJDYKJQVFF-UHFFFAOYSA-N	409.467	3.539	10	20	HHCD	
CCOc1c(OC)cc(/C=C2/SC(=S)N(c3cnn(CC)c3)C2=O)cc1OC	726196975	IUTKSPUCQLCEDU-CXUHLZMHSA-N	419.528	3.725	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2ccccc2Cl)cc1Cl	727354639	DXFVGZFIOBUYSC-HJWRWDBZSA-N	421.327	3.778	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1	730591084	HZIYOCSHSRJKFA-JTQLQIEISA-N	407.348	3.961	10	20	HHCD	
Cc1ccc(C(=O)NCCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	732468193	GBQFGTPHYCIGQL-UHFFFAOYSA-N	408.546	3.557	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3coc4ccccc34)cc2F)CC1	734013752	JMINKKBGKPFKPT-UHFFFAOYSA-N	410.493	3.713	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCNc1ccc(C(F)(F)F)cn1	734522262	LUUWEQINQXRYMO-UHFFFAOYSA-N	409.456	3.776	10	20	HHCD	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4C)cs3)cc21	734740834	UOWSMPMLLJQGCN-UHFFFAOYSA-N	413.524	3.828	10	20	HHCD	
C[C@@H](NC(=O)c1csc(Nc2ccccn2)n1)c1ccc(N2CCOCC2)cc1	736072414	JLXFOLQCFDRXBB-OAHLLOKOSA-N	409.515	3.609	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)c1O	737284410	LXSQNTZXNSJEPN-UHFFFAOYSA-N	416.833	3.624	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(N4CC=CC4)cc3)CC2)cc1	740920399	XHZXHBKEGBDAKK-UHFFFAOYSA-N	406.530	3.540	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N(C)C)cc2)nnn1-c1ccc(OC(C)C)cc1	741174792	FELLRYZLGVAAQU-UHFFFAOYSA-N	407.518	3.613	10	20	HHCD	
CNc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-]	742801325	PJGVJUKQYIFVNV-CQSZACIVSA-N	420.416	3.637	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1	743410243	JHLKCKMHIFVYCB-FOIQADDNSA-N	414.502	3.919	10	20	HHCD	
C[C@@H](OC(=O)[C@@H](C)C(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	745620656	BKTJVEXKSAOAAW-GHMZBOCLSA-N	419.355	3.531	10	20	HHCD	
CCN(CCC(F)(F)F)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	748305366	IHFYVNWYFUHMOE-UHFFFAOYSA-N	404.388	3.675	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)o1	749011321	UMSXVAKTCXDKSS-UHFFFAOYSA-N	414.411	3.577	10	20	HHCD	
CCCCO[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C1(C)C	752916885	VYRZXTDDFCYPRU-SFTDATJTSA-N	403.567	3.648	10	20	HHCD	
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	755227548	MMXOIZTUYWMXQP-UHFFFAOYSA-N	415.509	3.852	10	20	HHCD	
C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1O	756354844	JFEZAZBTWJFEDE-CJNGLKHVSA-N	411.365	3.940	10	20	HHCD	
CN(C)c1ccc(CN[C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)O)cc1	756384448	PQEJKDHPJRDTRE-GOSISDBHSA-N	416.319	3.782	10	20	HHCD	
Cc1cc(C(=O)N(C)C2(C(N)=O)CCCC2)c(C)n1-c1cccc(Br)c1	757970848	WWASRYLJLLQIDF-UHFFFAOYSA-N	418.335	3.727	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@H](CO)c3ccc(C(F)(F)F)cc3)ccc21	759346216	VZNHKEQENFGYES-GOSISDBHSA-N	407.436	3.621	10	20	HHCD	
COc1cc(Br)c(/C=C2/SC(N3CCCCC3)=NC2=O)c(OC)c1	760807556	QEJJRUKOEJHYLT-XNTDXEJSSA-N	411.321	3.923	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc([C@H]2CCOC2)c1	761981045	MFARWAWMSFXARY-GHTZIAJQSA-N	414.933	3.944	10	20	HHCD	
CC[C@H](C)Oc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)cc1	762082674	CTOKAQAJYNUVNF-LBPRGKRZSA-N	403.460	3.658	10	20	HHCD	
COc1ccc(-c2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)n[nH]2)cc1	764913661	FJZKXUZSGDTADG-UHFFFAOYSA-N	408.527	3.569	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1	765329784	WSWOUODVTLYOGF-REWPJTCUSA-N	409.530	3.884	10	20	HHCD	
COc1cc(C(=O)NCc2cccc(Br)c2O)sc1Br	765750418	GIBIEMMAUAADAO-UHFFFAOYSA-N	421.110	3.917	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CSc1nnc(-c2cccs2)n1C	769294178	YGWXUZCRBQISKH-UHFFFAOYSA-N	402.545	3.780	10	20	HHCD	
C[C@H](NC(=O)NCCc1cn(C)c2cc(F)ccc12)c1ccc(N2CCOCC2)cc1	770357666	GGGFQELOKIBRPC-KRWDZBQOSA-N	424.520	3.757	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccc(N(C)C)cc1	773845894	KMZQPTYUILZDPO-NSHDSACASA-N	420.391	3.729	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(CO)(Cc3ccccc3)CC2)c1O	775193492	QBNHGLBWLMYDFY-UHFFFAOYSA-N	420.347	3.981	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3ccc4[nH]ccc4c3)cc2F)CC1	775723944	AOMAXDHCKRCLHF-UHFFFAOYSA-N	408.521	3.698	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)n(-c4ccc(C)cc4)n3)CC2)cc1F	776030552	WGYVHVNHAIZBMD-UHFFFAOYSA-N	423.492	3.991	10	20	HHCD	
Cc1cc(Br)cc(CNCCS(=O)(=O)c2ccc(Cl)cc2)c1O	776072650	BCVCNUMWXFQHPK-UHFFFAOYSA-N	418.740	3.680	10	20	HHCD	
Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	777144841	ZCCVOLJWKNKHDS-ZDUSSCGKSA-N	404.308	3.639	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(C2CCCC2)nn1C	781960670	JWZBHLJOLAEXAT-UHFFFAOYSA-N	423.561	3.665	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F	784746481	RLDKWSZPHNXLTN-DLBZAZTESA-N	420.391	3.955	10	20	HHCD	
C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1	788544640	FWVQXIWCVPSLFT-KFWWJZLASA-N	402.470	3.781	10	20	HHCD	
COC[C@H](N[C@@H](C)c1cc(Br)cc(Br)c1O)[C@H]1CCCO1	788622731	HJBUIKHUVWFDDN-QCZZGDTMSA-N	423.145	3.762	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](C)[S@@](=O)[C@H](C)C2)c(C)n1-c1cccc(Br)c1	791182099	MLXYKJDSJTZOPP-UXYJLEPLSA-N	423.376	3.838	10	20	HHCD	
C[C@@H](NC(=O)c1cc2c(C(F)F)nn(C)c2s1)c1ccc(N2CCOCC2)cc1	791541161	JTAZONZMNMBQDI-GFCCVEGCSA-N	420.485	3.900	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](CO)c1ccccc1OC(F)(F)F	792838081	HCMKAPLBAUEMMO-GOSISDBHSA-N	423.435	3.718	10	20	HHCD	
Cc1cc([C@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n(C)n1	793547767	NBJPVKYMRQJROE-QFBILLFUSA-N	401.555	3.711	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NOC/C=C/Cl	794296801	OQIZBPDWFGLEBN-ASUOKEHTSA-N	402.950	3.530	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])c1Br	795260347	MPNPSTDHVJYLNU-HNNXBMFYSA-N	418.244	3.670	10	20	HHCD	
C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCN(C)C(=O)C3)c2C(=O)OC(C)(C)C)C1	801710404	KLSHVYYIBQZNTO-CHWSQXEVSA-N	406.548	3.635	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1	801982693	APWSDOMZPSVULD-JOCHJYFZSA-N	411.546	3.777	10	20	HHCD	
CC(C)Cn1ncc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C1CC1	806814253	MPUNZOVCROSNNM-UHFFFAOYSA-N	411.550	3.917	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cnc3n2CCCC3)cc1	807264015	YABKPXUAIITDIF-UHFFFAOYSA-N	407.518	3.790	10	20	HHCD	
C[C@@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)Sc1ccccc1	807633038	OJYPTYCGHWTBAJ-KRWDZBQOSA-N	411.571	3.541	10	20	HHCD	
CCS[C@@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	809236052	WKQVCJJEKJULHD-AZUAARDMSA-N	405.608	3.670	10	20	HHCD	
CN(C)CCOc1ccc(N(C)Cc2cn3ccc(Br)cc3n2)cc1	811490583	VANKRMPSAKAJKK-UHFFFAOYSA-N	403.324	3.674	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)cc(OC)c1OC	816569870	YVCUVOZLXHOINU-UHFFFAOYSA-N	410.873	3.533	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1nc(N2CCCC2)ncc1Cl	916046796	FDNIGGAWBYLCTK-UHFFFAOYSA-N	401.942	3.847	10	20	HHCD	
Cc1cc(C)cc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	917709020	DABFSDZRBIYBSP-ROUUACIJSA-N	400.494	3.751	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@H]1CCCc2ccccc21	918210376	OZMKYHBISSBTCL-LJQANCHMSA-N	411.521	3.706	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)c(C=O)n1C	1318710773	WRNYPCTXQFEFEU-UHFFFAOYSA-N	406.324	3.717	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccon2)C3)cc1	1800513725	RNRKEABESLPSGD-NUZGMZIFSA-N	418.497	3.648	10	20	HHCD	
CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821290626	CKLZRBQDOUUXMV-CQSZACIVSA-N	406.870	3.580	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccn2C)C3)cc1	1845398149	FJTOHNCHLUUROC-UHFFFAOYSA-N	416.525	3.563	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)sc2c1CCC2	13255671	FSCGZGJYZXGUFX-NRFANRHFSA-N	401.484	3.785	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1	139932402	IZKBORDFBNOVBI-XMSQKQJNSA-N	413.518	3.568	10	20	HHCD	
FC(F)(F)c1ccc([C@H](CNCc2ccc3c(c2)CCO3)N2CCOCC2)cc1	237728083	ZTYSMCYURUTBBN-FQEVSTJZSA-N	406.448	3.803	10	20	HHCD	
COCCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@H]1CCCSC1	468605606	KUUCAFPWCGWEER-IBGZPJMESA-N	404.576	3.889	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCOc3cccc(NC(C)=O)c3)ccc21	591225855	VETNAXPUECWOGE-UHFFFAOYSA-N	423.513	3.672	10	20	HHCD	
COCCOCc1cccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	726694613	FOPDEOCXBQBBJC-UHFFFAOYSA-N	413.518	3.649	10	20	HHCD	
O=C(Nc1nnc(C(F)F)s1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726696691	BJQDANFLFPYMBK-UHFFFAOYSA-N	419.404	3.868	10	20	HHCD	
CCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	727375549	FBGOXUMIUKAUDC-FQEVSTJZSA-N	403.592	3.773	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nc(-c2ccncc2)no1	728129249	UJIRIMDEVXVZLZ-FQEVSTJZSA-N	420.517	3.928	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)NCc2cccc(OC)c2O)cc1Cl	729551634	JGDOSQVXMAWFPA-UHFFFAOYSA-N	405.882	3.858	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(-c2cccnc2)no1	729607446	ZHSONVMYADHTMP-HXUWFJFHSA-N	420.517	3.711	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CN2Cc3ccccc3C2=O)c(C)n1-c1cccc(F)c1	730054820	YQLCPNLSBXQHIZ-UHFFFAOYSA-N	420.440	3.615	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)CCc3ccccc3)cc2F)CC1	730111369	CSDCWUUNGQUHKX-IBGZPJMESA-N	412.553	3.788	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1F	731347351	UUYBGVBQXNNNPQ-UHFFFAOYSA-N	413.493	3.716	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1	734406149	NHXWFPDIWJDOFW-HNNXBMFYSA-N	403.523	3.577	10	20	HHCD	
CCc1nc(COc2ccc(C(=O)N(CC)Cc3ccc(N(C)C)cc3)cc2)no1	734427366	JQQZPXNVAUUFSP-UHFFFAOYSA-N	408.502	3.939	10	20	HHCD	
O=C(CCSc1ccccc1F)NCc1ccc(N2CCC(O)CC2)c(F)c1	734863390	SZLSDYYPKSEXBB-UHFFFAOYSA-N	406.498	3.725	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccccc1OCC1CC1)c1ccc(N2CCOCC2)cc1	740474266	HHFGMRSWIVMNDR-GOSISDBHSA-N	409.530	3.872	10	20	HHCD	
C[C@@H](CNCc1ccc(N2CCOCC2)cc1)Oc1cccc(Br)c1	742386244	DDJKTAZXXQNXER-INIZCTEOSA-N	405.336	3.843	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cs1	743045963	ICKJTKQCWPXHMK-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)C2(O)CCC2)c(C)n1-c1ccc(OC(F)F)cc1	744841052	SDVVEQJJTBHMNP-CQSZACIVSA-N	407.413	3.725	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C12CCC2	745649867	ZSNNBLOXYVIXEI-WWEWDKITSA-N	419.541	3.586	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl	745849013	PPDALTAPGIOJFK-UHFFFAOYSA-N	403.788	3.680	10	20	HHCD	
COc1cc(CN2CCOc3cc(N(C)C)ccc32)c([N+](=O)[O-])cc1OC(F)F	746492756	KZSMZYAARZSLLG-UHFFFAOYSA-N	409.389	3.670	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1	749236847	QHHCYHPZGOVMRZ-IBGZPJMESA-N	409.578	3.905	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1)C1CCCCC1	752662217	RZZPZNFHBTXXBY-FQEVSTJZSA-N	410.566	3.669	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	754154898	DIRYOTROCRJDHO-TZMCWYRMSA-N	417.465	3.745	10	20	HHCD	
Cc1cc(C)c(O)c(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c1	754726782	NKHYSQVUQJOOMP-MRXNPFEDSA-N	408.498	3.823	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3cccc(Cl)c3)CC2)cc(OC)c1OC	758917917	NIFKUGIATTWPQA-UHFFFAOYSA-N	421.950	3.885	10	20	HHCD	
COc1cc(CN2CCN(c3nc(F)c(F)cc3F)CC2)c(O)c(C(C)(C)C)c1	762100048	PLZDYQAHKOKMNT-UHFFFAOYSA-N	409.452	3.833	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc4n(n3)CCCO4)c2C)cc1	763371811	UEHMQMFCGAUVNG-UHFFFAOYSA-N	423.469	3.512	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1C	764467654	CDPASNNUDSAAKD-GBXCKJPGSA-N	422.617	3.543	10	20	HHCD	
C[C@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	765686782	UVEYVGMXYOXPSU-MGPUTAFESA-N	412.427	3.763	10	20	HHCD	
CCOc1ccc(O)c(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1	767190997	KQFIWUUDFGETSR-INIZCTEOSA-N	408.420	3.700	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(NC(=O)c3ccccc3)CC2)c1O	768220428	PDALGJVXQFOLTP-UHFFFAOYSA-N	419.319	3.558	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@H]2CCCC3(C2)OCCO3)cc1)C1CCCCC1	768298247	OAWFHHMWJVJXOF-IBGZPJMESA-N	401.551	3.940	10	20	HHCD	
Oc1c(Br)cccc1CN1CCC(c2nc(-c3ccccn3)no2)CC1	769210007	LDHFNTSUIJSWPR-UHFFFAOYSA-N	415.291	3.979	10	20	HHCD	
O=C(c1cccc(NCc2cc(Br)ccc2O)c1)N1CCC(CO)CC1	770410751	GJEMROXHLQXTLD-UHFFFAOYSA-N	419.319	3.611	10	20	HHCD	
CC(=O)c1cccc(OCc2cc(C(=O)NCc3c(O)ccc4c3CCCC4)no2)c1	770801017	OQZSQNXUWGVAEX-UHFFFAOYSA-N	420.465	3.971	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)OC(C)(C)C)C3)c1O	774906729	CXJJVBZLMUFWAF-HOTGVXAUSA-N	421.494	3.719	10	20	HHCD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	775760379	KKKQBSMOFHHTCJ-MRXNPFEDSA-N	403.502	3.788	10	20	HHCD	
CCOc1cccc([C@H]2C[C@H]2NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	775773465	KCABQJILECKSOW-TZIWHRDSSA-N	413.493	3.621	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(CNCc3cc(Cl)cc(F)c3O)cc2)C[C@H](C)O1	776059307	XTVRXSOHWITUIE-KBPBESRZSA-N	406.885	3.724	10	20	HHCD	
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(N2CCOCC2)cc1	778650098	LSRQDBQZSMOGBT-ZDUSSCGKSA-N	421.400	3.524	10	20	HHCD	
Cc1oc2c(CN3CCN(C(C)C)C(=O)C3)c(O)ccc2c(=O)c1-c1ccccc1	779882223	JJHYWFRTEFKASG-UHFFFAOYSA-N	406.482	3.527	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C	784031247	YJJHRPZTHVSRSG-UHFFFAOYSA-N	411.502	3.672	10	20	HHCD	
C[C@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccnn1C	791934067	DYVMNEUKSDOHCE-YGRGUWMTSA-N	421.569	3.767	10	20	HHCD	
Fc1cc(CNCCc2cccc(OCC(F)(F)F)c2)ccc1N1CCOCC1	793376552	WVFXXARCWFXNHO-UHFFFAOYSA-N	412.427	3.936	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@H](N4CCOCC4)C[C@H]3C)c2C)cc1F	796379594	UWBUQRDWGDKKHK-DYESRHJHSA-N	413.537	3.519	10	20	HHCD	
CCc1cc(C)cc(CC)c1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	796732027	KHMFXKFCOWMSGZ-SFHVURJKSA-N	423.557	3.772	10	20	HHCD	
C[C@H](NCCCN1C(=O)c2ccccc2C1=O)c1cc(Br)cc(F)c1O	797074997	RAFLAEBVSUIHTH-NSHDSACASA-N	421.266	3.631	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC	801596410	YPOAEWFBKGSRDB-MRXNPFEDSA-N	413.518	3.989	10	20	HHCD	
COc1ccc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c(C)c1OC	806673536	LFPMYTXTANOILK-CYBMUJFWSA-N	418.877	3.897	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2	807107035	XFLXQTCXBLUEEH-UHFFFAOYSA-N	403.910	3.561	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1	809966330	XPZNDJWJDLCAQU-LEWJYISDSA-N	415.578	3.994	10	20	HHCD	
Cc1csc(Nc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)n1	810192980	NKZSCKLBYHEPNQ-UHFFFAOYSA-N	408.527	3.962	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)ccc1O	811705739	QEXDYZZAMZEKIX-UHFFFAOYSA-N	419.499	3.695	10	20	HHCD	
C[C@@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Br)cc(F)c1O	812739320	BVSNMYAQZJJTDM-PWSUYJOCSA-N	411.246	3.889	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cn2c(Br)cnc2s1	815008667	JYXODDPEMYQHPY-UHFFFAOYSA-N	405.321	3.689	10	20	HHCD	
C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cc(Cl)c(F)cc3O)c2)C1=O	816602926	SCIUBIWENVSASN-NRFANRHFSA-N	417.868	3.699	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCNC(=O)c2ccc(C)c(F)c2)cc1	916274259	IRKRHCMWGPXLHG-UHFFFAOYSA-N	414.525	3.552	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccc(S(=O)(=O)N2CCCC2)o1	917075069	PCBAYKBEYBSJTD-UHFFFAOYSA-N	405.564	3.541	10	20	HHCD	
COc1ccc(Cl)cc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	918216990	VYSNAHURWXRMLE-UHFFFAOYSA-N	417.937	3.557	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCc1nnnn1-c1ccc(OC(F)F)cc1	918716445	VOGCQIHVNKUWRP-UHFFFAOYSA-N	414.441	3.957	10	20	HHCD	
O=C1[C@H](NCc2ccc(N3CCCC3)cc2)CCN1c1cccc(Br)c1	1116825343	LXJKKPIYNUGXOF-HXUWFJFHSA-N	414.347	3.944	10	20	HHCD	
Cc1ccc([C@H](O)c2ccccn2)cc1NCc1ccc(N2CCN(C)CC2)c(F)c1	1117660795	CXTNXDSWTVDDBM-VWLOTQADSA-N	420.532	3.975	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2CS(C)(=O)=O)cc1	1318054119	MKJDHJNDDOESAV-UHFFFAOYSA-N	403.548	3.741	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cc4cccc(OC)c4o3)CC2)cc1	1318250230	DRRZWYHEGWYBAZ-UHFFFAOYSA-N	409.486	3.872	10	20	HHCD	
CC(=O)N(c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1)[C@@H]1C[C@@H]1C	1324491215	KDSBBPTYKARELN-BXKMTCNYSA-N	410.537	3.951	10	20	HHCD	
CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821290667	DNJLGNRBSIZIKR-AWEZNQCLSA-N	420.897	3.826	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1F	303310693	FNUPFSKBWTWVQA-UHFFFAOYSA-N	411.437	3.696	10	20	HHCD	
O=C1/C(=C/c2cnc(-c3ccccc3)nc2)SC(=S)N1CCc1ccccn1	726196421	PVQLCMANGSDEJU-PDGQHHTCSA-N	404.520	3.983	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cnn(CC)c2)C1=O	726196843	DHCXHBQCESGAED-NVNXTCNLSA-N	404.473	3.616	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H](CCC(N)=O)C3)c2C)cc1	727158600	VQOBBDQJLYNVQX-LJQANCHMSA-N	411.546	3.653	10	20	HHCD	
Cc1csc(CCCCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1	727173070	QBDGNWPVBNIHBH-QGZVFWFLSA-N	402.564	3.671	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCN3CCCC3=O)c2C)c1	727912098	HEXQXMLHUDDXGC-UHFFFAOYSA-N	414.527	3.554	10	20	HHCD	
CO[C@@](C)(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1	730174418	OWLWBEYUVMIAAS-OAQYLSRUSA-N	422.447	3.720	10	20	HHCD	
CCOc1ccc(CCC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1	730192930	RBFMETUCBACERT-UHFFFAOYSA-N	413.537	3.615	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cccc(N4CCOC4=O)c3)cc2)CC1	731048487	LUNVJFXWOJGHIA-UHFFFAOYSA-N	422.529	3.879	10	20	HHCD	
Cc1nn(C)c2nc(Cl)c(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cc12	732202182	ILIALDWPBFABQO-KRWDZBQOSA-N	400.910	3.817	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1	733038426	OHYJIHJGWHJCEI-IBGZPJMESA-N	402.583	3.617	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC3CCN(Cc4cccnc4)CC3)c2C)cc1	734236578	XXVQCLBXRWMXOH-UHFFFAOYSA-N	418.541	3.892	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)COc1cccc(NC(=O)c2ccco2)c1	734403963	BAKFTNJFFRTHOC-UHFFFAOYSA-N	407.470	3.602	10	20	HHCD	
CN1C(=O)CC[C@@H](C(=O)NCc2ccccc2O)[C@H]1c1ccc(C(F)(F)F)cc1	734547757	NTNXWSDVYPNFES-VQIMIIECSA-N	406.404	3.637	10	20	HHCD	
CC(=O)c1ccc(OCCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	735518236	HVTORAUNYCHQHX-JOCHJYFZSA-N	411.498	3.962	10	20	HHCD	
COc1ccccc1[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	738459881	IBQOGEADWCMBKD-QUCCMNQESA-N	409.530	3.792	10	20	HHCD	
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)n(-c3ccc(F)cc3)c1C)CC2	741234882	YTUDLRYJLIZVGH-LEWJYISDSA-N	400.494	3.625	10	20	HHCD	
CC(=O)N[C@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F	741678019	JTQLUVBNBSNFGC-JOCHJYFZSA-N	415.484	3.839	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Oc1ccccc1Cl	743552966	BNGSOKVFQAHPRP-HNNXBMFYSA-N	421.900	3.582	10	20	HHCD	
Cc1cc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c(C)n1-c1ccc(F)cc1	743765252	GWMUJONSAXHCAK-RUZDIDTESA-N	421.516	3.600	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCc1ccc(C(=O)OC)cc1	743808927	JKNXWWOMJUMGEW-UHFFFAOYSA-N	420.303	3.923	10	20	HHCD	
C[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	744280343	KFZHFSMCOKCIBA-OAHLLOKOSA-N	422.451	3.840	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)OCC(=O)NC2CCN(C(C)C)CC2)c1	744885258	RVTUBSWGWIOUEV-UHFFFAOYSA-N	411.546	3.548	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1COc2ccccc2C1	745350749	YWKQJACIIFMDDX-CQSZACIVSA-N	419.319	3.938	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1	745829522	YAAQUFPEQRLOLR-MRXNPFEDSA-N	403.527	3.519	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccccc2CS(C)(=O)=O)c1	749435613	GIFCUDMCZMCIAL-UHFFFAOYSA-N	410.539	3.877	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1F	749929685	GYPAZHCOVOVQCC-UHFFFAOYSA-N	417.500	3.703	10	20	HHCD	
O=S(=O)(c1ccc(Br)cn1)N(Cc1ccccc1O)C1CCCC1	751358683	FQKKOLYHVJPJGI-UHFFFAOYSA-N	411.321	3.683	10	20	HHCD	
C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc(N2CCCC2)cc1	752148441	HPGCXIPMXOGITQ-IEBWSBKVSA-N	416.566	3.732	10	20	HHCD	
CN(C)c1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(F)c1	752626306	PZXXDZPQISHAKG-MRXNPFEDSA-N	405.901	3.645	10	20	HHCD	
C[C@H](NCCc1cnn(C)c1)c1cc(Br)cc(Br)c1O	756443720	ULYFIZOAUIDWRB-VIFPVBQESA-N	403.118	3.544	10	20	HHCD	
CC(C)[C@@H](NC(=O)CN(C)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2	756654638	WRUSYPHFLMOCSM-HSZRJFAPSA-N	412.486	3.526	10	20	HHCD	
C[C@H](NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1O	756763573	XHOKMDMDHXTZHW-JSGCOSHPSA-N	414.380	3.701	10	20	HHCD	
O=C(NCCOc1cccc(C(F)(F)F)n1)NCc1c(O)ccc2c1CCCC2	758949946	WVKXQQBEPBBQLK-UHFFFAOYSA-N	409.408	3.563	10	20	HHCD	
COc1cc(N2CCN(C(=O)CCSc3ccccc3)CC2)cc(OC)c1OC	759224068	YZJWUJXUIOMTCE-UHFFFAOYSA-N	416.543	3.543	10	20	HHCD	
C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCCO1	764681454	BMXPCSJAANMYCX-SFHVURJKSA-N	423.517	3.658	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc4c(c3)OCCCO4)cc2F)CC1	765850707	AOCYJOXZZZOGQR-GOSISDBHSA-N	413.537	3.980	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4cccc(F)c4C3)cc2F)C[C@@H](C)O1	767198671	MLDKDQLCQRZXEP-HZPDHXFCSA-N	415.484	3.846	10	20	HHCD	
Cc1cc(Br)cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	768167645	SXYYAZQKBHUFFP-UHFFFAOYSA-N	417.347	3.896	10	20	HHCD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1ccc(O)c(O)c1	768913807	CWWRAUAHRRTXFY-UHFFFAOYSA-N	406.269	3.888	10	20	HHCD	
CCO[C@@H](C)c1noc(CN2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)n1	769507124	LGJNYAXMSIFGFN-SFHVURJKSA-N	422.529	3.858	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)c2)CC1	770143496	MKMHKKMWLWVMLT-OAHLLOKOSA-N	410.543	3.514	10	20	HHCD	
Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)Nc2cccc(N3CCCC3)c2)c1	770485244	IPFYCZKHJZTZPD-UHFFFAOYSA-N	406.442	3.793	10	20	HHCD	
O=C(c1ccc2nc(C(F)(F)F)cn2c1)N(Cc1ccccc1O)C[C@H]1CCCO1	771438318	UWWUSSWBVNCGBM-MRXNPFEDSA-N	419.403	3.880	10	20	HHCD	
Cc1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c(C)n1-c1cccc(Cl)c1	771662949	GRASRMNGANPCMX-UHFFFAOYSA-N	416.997	3.893	10	20	HHCD	
COc1cc(C(=O)CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC	773012357	XKEPJNCJYFUZNY-HNNXBMFYSA-N	414.502	3.619	10	20	HHCD	
CC[C@@H](NC[C@H](O)c1cc(OC)ccc1OC)c1cc(Br)ccc1O	775486901	JFAWWTDQWUSXRU-AEFFLSMTSA-N	410.308	3.946	10	20	HHCD	
Cc1cc(C)cc(-c2nnc(NC(=O)NCc3ccc(N4CCOCC4)cc3)s2)c1	775848068	HTVBNVBIDPQHQJ-UHFFFAOYSA-N	423.542	3.980	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3c(F)cccc3Cl)cc2F)C[C@@H](C)O1	776290044	GISLXJPPLYIHEK-OKILXGFUSA-N	424.875	3.927	10	20	HHCD	
COc1ccc(C(=O)NCCN[C@H](C)c2cc(Br)cc(C)c2O)cc1	779029435	HSXUQJNIODPHJF-CYBMUJFWSA-N	407.308	3.552	10	20	HHCD	
CCOC(=O)[C@@H](NCc1cc(F)ccc1O)c1ccc(OC)c(Br)c1	779178770	RLZZAHXFVFHJDL-KRWDZBQOSA-N	412.255	3.696	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(OCc2cn3ccccc3n2)c1	779482006	BAPLFUIWKTXHKH-NTMALXAHSA-N	401.422	3.976	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(OC)cc(-n4cccn4)c3)CC2)cc1	791968274	DPHQAPWLAIXHPP-UHFFFAOYSA-N	421.501	3.680	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@@]2(CCOC2)O1	792864730	MHNNKXIQKHMTDD-WZONZLPQSA-N	401.551	3.545	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(CC3CCC3)CC3CC3)cc2F)CC1	792993760	XJTUUUPYXPJWNV-UHFFFAOYSA-N	402.558	3.689	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(O)c1	793029261	ZNHPEZDWMVFCJZ-QRWLVFNGSA-N	421.900	3.686	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N(C)CCc3cnccn3)cc2Cl)C1	799993951	HLSFTNYOPCDKGK-INIZCTEOSA-N	401.942	3.750	10	20	HHCD	
CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800049155	GMRUWVWXISGWRQ-OXJNMPFZSA-N	405.970	3.984	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)CC[C@@H]3CCCO3)cc2Cl)C1	800149175	WHLIDJFYQFNBDC-WBVHZDCISA-N	400.972	3.565	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)nc3)cc2Cl)C1	800636167	HBTMWYUNEBLHGY-CYBMUJFWSA-N	421.328	3.880	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)c(C)n1-c1ccc(Cl)cc1	804437945	JWWNFTQADZTRPT-MGPUTAFESA-N	401.938	3.683	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1nc2c(s1)CCCCC2	807511313	KMFYJJNPASITFJ-UHFFFAOYSA-N	414.314	3.679	10	20	HHCD	
Cc1cc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)ccc1N(C)C	815094683	GKGLARFMIHQTIM-GOSISDBHSA-N	401.576	3.794	10	20	HHCD	
COCC(C)(C)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	817031093	OIBLHAKIFGCSMS-KAMYIIQDSA-N	412.602	3.613	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnccc1C(F)(F)F	857472296	JRVBNXGVEYUPMT-CQSZACIVSA-N	413.827	3.854	10	20	HHCD	
CC1(C)CCc2ccccc2[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	857501398	NKDFDAVSCIDPOS-SFHVURJKSA-N	402.516	3.597	10	20	HHCD	
CCOc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c([N+](=O)[O-])cc1OC	914485079	PGVWDQUPCDKXQS-UHFFFAOYSA-N	413.474	3.873	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c(C)n1-c1ccccn1	914613027	FSMDUZOTQGLUET-UHFFFAOYSA-N	419.268	3.986	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1	917095111	AUFCQVHOLKTIAN-UHFFFAOYSA-N	420.513	3.752	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@H]3c3ccc(Cl)cc3)nc12	917097073	VROANXLDLHXOEC-QGZVFWFLSA-N	400.866	3.602	10	20	HHCD	
CNC(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Cl	918046687	FYRXMQMQBQJEJB-UHFFFAOYSA-N	400.910	3.962	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCC(C)CC2)cc1	918307104	NSUIYZPQLIHINN-UHFFFAOYSA-N	422.573	3.976	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)c(C)n1-c1ccc(Cl)cc1	918579534	AIFRLSMDLRYZPT-UHFFFAOYSA-N	403.891	3.798	10	20	HHCD	
Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Cl	919969409	XRCILCQQPBQELB-KRWDZBQOSA-N	416.949	3.941	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)CC2)cc1	1253443229	SGYSBXPDQVXCDF-UHFFFAOYSA-N	403.482	3.607	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3N3CCCC3=O)c2)CC1	1253948273	CFDSXHGQWLDETM-UHFFFAOYSA-N	406.530	3.596	10	20	HHCD	
C[C@@H](NC(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1)c1ccc(N(C)C)cc1	1255139443	FRQIQNOAGFPKCB-OPAMFIHVSA-N	406.530	3.971	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(-c4cccc(C)c4)c3C)CC2)cc1	1319872082	YVDICYQZGMLIIH-UHFFFAOYSA-N	404.514	3.850	10	20	HHCD	
CCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	1321630054	RQHAPTJLRYPMMN-UHFFFAOYSA-N	415.559	3.615	10	20	HHCD	
CN1CCN(c2ccc(CNCc3nn(-c4ccccc4)c4c3CCC4)cc2F)CC1	1322599103	BTYIXVFHFFRENT-UHFFFAOYSA-N	419.548	3.542	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@H]4CCCC[C@H]4C3)cc2F)CC1	1326865747	IJYDOFMUQYSQIV-UXHICEINSA-N	402.558	3.689	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1nc(C(F)(F)F)cs1	1339381104	AIEFUBQZHSWDFU-LBPRGKRZSA-N	402.461	3.904	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)COC(C)(C)C)cc1	1848027979	TWGQYCDUCXJSDY-VXKWHMMOSA-N	423.557	3.725	10	20	HHCD	
C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccc(N2CCOCC2)cc1	65561724	SJNFOXGBLUXCHR-GOSISDBHSA-N	412.505	3.588	10	20	HHCD	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1	116034370	PTJKEHZHJKEMIV-UHFFFAOYSA-N	408.502	3.524	10	20	HHCD	
C[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	140403257	NUJIUPDWTFJRKL-CQSZACIVSA-N	414.449	3.990	10	20	HHCD	
Cc1c(CNC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)n(C)c2ccccc12	471916771	DBHIJEPMJICZJS-UHFFFAOYSA-N	418.541	3.838	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)n(C)c2ccccc12	472776997	SCPWYUCAQJMSDO-UHFFFAOYSA-N	414.465	3.929	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c2ncccc12	472782343	DJEOROVEWLECLK-UHFFFAOYSA-N	416.481	3.689	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cccc(OCc2cccnc2)c1	538861520	WQRMYFHLQBKECS-UHFFFAOYSA-N	403.482	3.695	10	20	HHCD	
CCN(CC)C(=O)[C@@H](Cc1ccccc1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	725844380	RHYZMELQVGUTPX-QGZVFWFLSA-N	405.882	3.523	10	20	HHCD	
CC[C@H](CC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1	728858098	GGKNYOXBEASCBV-OAQYLSRUSA-N	409.574	3.907	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1O	729859152	IAONUMSHPHKFCF-HUUCEWRRSA-N	413.474	3.721	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccccc3Cn3cncn3)cc2)CC1	731049823	QSWMUTPVPROIBV-UHFFFAOYSA-N	418.545	3.562	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccc(C(=O)N(C)C)cc3)cc2)CC1	731050306	IFXAFWGZARLADR-UHFFFAOYSA-N	408.546	3.624	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COc2cccc(C(=O)NC[C@@H](C)O)c2)c1C	740872212	IXJQSKHRLHGPJV-GOSISDBHSA-N	420.509	3.775	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1	742334857	UYIFBNSHSMSCJE-INIZCTEOSA-N	410.486	3.852	10	20	HHCD	
O=C(NC1CC1)c1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742384757	MAXKKOHPBHRLAG-IBGZPJMESA-N	415.484	3.939	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cncc(Br)c1	744243725	KXKHJKXKINYJHS-UHFFFAOYSA-N	412.353	3.509	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)N2CCCC2)c1	745304004	XRIHUWMPYKUZPG-HSZRJFAPSA-N	423.557	3.916	10	20	HHCD	
O=C(Cn1c(-c2cccnc2)noc1=O)Nc1ccc(N=Nc2ccccc2)cc1	749358568	SOAGZVGFKBBPHF-UHFFFAOYSA-N	400.398	3.952	10	20	HHCD	
CNC(=O)c1cc(Oc2ccccc2NC(=O)NCc2ccc(N(C)C)cc2)ccn1	750611691	QSDQAFQDSBXXOA-UHFFFAOYSA-N	419.485	3.621	10	20	HHCD	
C[C@H](NC(=O)c1ccc(OCc2ccccc2)nc1)c1ccc(N2CCOCC2)cc1	751108185	NAHWSYCAIZRNIX-IBGZPJMESA-N	417.509	3.988	10	20	HHCD	
O=S(=O)(N1CCc2ccccc2C1)N(Cc1ccccc1O)C1CCCCC1	751138068	YMHZZXNMFWMWBM-UHFFFAOYSA-N	400.544	3.830	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)c4ccco4)c3)CC2)cc1F	753737720	CPOKXGJBXYHFIS-UHFFFAOYSA-N	423.444	3.642	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1F	753839839	KRATXQCHPFNJDS-UHFFFAOYSA-N	413.478	3.707	10	20	HHCD	
C[C@H](N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1O	756572876	JPRPUOVVRFIEFP-KGLIPLIRSA-N	403.454	3.812	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(C3OCCO3)c2)cc1	758012556	NAKJHUSJARPRLS-QFIPXVFZSA-N	410.514	3.619	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](C)S(=O)(=O)CC2)c(C)n1-c1cccc(C(C)C)c1	760794983	QNQMDUGCJHHGBT-KRWDZBQOSA-N	402.560	3.867	10	20	HHCD	
CO[C@@](C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1	761983388	REHKAMHGIMYHPG-SIKLNZKXSA-N	402.922	3.688	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(N2CCCC2=O)c(F)c1	765281236	GAUMWZKFYVFOSK-UHFFFAOYSA-N	422.254	3.742	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(Br)nc1	765317279	VSMLVMWYZNAHPC-UHFFFAOYSA-N	401.058	3.634	10	20	HHCD	
C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(N2CCCCCC2)cc1	765411405	XVTVTOYOZXFDIB-LJQANCHMSA-N	401.576	3.696	10	20	HHCD	
CCS[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)n1	765800535	STGWGIDUZAVLHE-HNNXBMFYSA-N	401.536	3.602	10	20	HHCD	
Cc1cc(C(=O)CN2CCN3C(=O)CC[C@H]3C2)c(C)n1-c1cccc(C(F)(F)F)c1	766273517	XZLSWIBIMITDTK-SFHVURJKSA-N	419.447	3.602	10	20	HHCD	
O=C1/C(=C/c2cncc(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2	767361659	WQQKMMHBTHGOEF-CPSFFCFKSA-N	421.297	3.979	10	20	HHCD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(N(C)C)c(F)c1	768180747	OUYGTNIOAOKAHE-FQEVSTJZSA-N	416.493	3.571	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)c(C)n1-c1ccccn1	770262720	CJMYLFAXJROWJJ-QGZVFWFLSA-N	411.531	3.729	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C	772441283	OQSOWLSDJUGRAX-KRWDZBQOSA-N	408.564	3.873	10	20	HHCD	
Cc1cc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c(C)n1-c1ccc(F)cc1	772569451	CCZKRONKIUNQJC-OAQYLSRUSA-N	410.493	3.553	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1F	773004707	MLFQHVJTBPTTCX-NQIIRXRSSA-N	402.558	3.830	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)c(C)n1-c1ccccn1	773317593	UTLIPNKMBWZZON-UHFFFAOYSA-N	412.921	3.819	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](c3cccc(Br)c3)C2)c1O	774863183	KNKLVVJDASKRHL-MRXNPFEDSA-N	423.263	3.645	10	20	HHCD	
CN1CCC(N(C)c2ccccc2CNCc2cccc(Br)c2O)CC1	775152775	QCLONYCLILPOMH-UHFFFAOYSA-N	418.379	3.975	10	20	HHCD	
C[C@H](NC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	775259347	IAPYCBUFZBXLMU-IUKKYPGJSA-N	418.965	3.966	10	20	HHCD	
CC[C@H](NC1CCN(CCC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1O	775504218	VXJWYQVKIOAAPM-INIZCTEOSA-N	402.366	3.682	10	20	HHCD	
COC(=O)[C@H](NCc1cc(Cl)cc(F)c1O)c1ccc(Br)cc1	779173165	BVHANQYGBGEGJG-CQSZACIVSA-N	402.647	3.951	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779511319	USEXVHXICFCXHY-TYUFWACSSA-N	416.518	3.892	10	20	HHCD	
CCOCN(C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)c1c(C)cccc1CC	784286064	JCRHZDXSBUGZFL-ZRDIBKRKSA-N	413.470	3.552	10	20	HHCD	
Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	784621978	JIGHQMUPSUVWAU-GJZGRUSLSA-N	402.514	3.629	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCCC2(C1)OCCO2	784987884	CLRVPOQPKOEGRM-IBGZPJMESA-N	408.458	3.842	10	20	HHCD	
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	792233792	QQZLBMNBXYGLJH-FYYLOGMGSA-N	423.557	3.605	10	20	HHCD	
CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799888028	IMSCUHKSOXRIEO-JKSUJKDBSA-N	408.974	3.680	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnc(-c2ccccc2)nc1	802610864	VYMXTUKZWZLJBE-UHFFFAOYSA-N	404.470	3.617	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)c2nncn2C)c(C)n1-c1cccc(Br)c1	805418089	OIZBRDFZINJWLL-CYBMUJFWSA-N	403.280	3.903	10	20	HHCD	
C[C@@H](CCOCc1ccccc1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	806542693	WFEKPALPVURYCZ-PMACEKPBSA-N	411.546	3.879	10	20	HHCD	
CCCc1nc(C)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)s1	807512777	IWBGNXWLTUSCPV-UHFFFAOYSA-N	402.303	3.671	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NCc3cnc(C4OCCO4)s3)CC2)cc1	809613485	WOHOMWKFTSEGQL-UHFFFAOYSA-N	411.474	3.549	10	20	HHCD	
O=C1CC[C@@]2(C(=O)NCc3cc(Cl)cc(Cl)c3O)Sc3ccccc3N12	813682494	CNLFGCNBCPFNCK-SFHVURJKSA-N	409.294	3.944	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1OCCc2sccc21	813869767	LJIWEULARIVWQR-LUQKVYGDSA-N	416.543	3.847	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@H](c1ccccc1)C1CC1	814422426	RPJVDWWYEMRRQH-DEOSSOPVSA-N	407.558	3.888	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1c[nH]c2cccc(Cl)c12	814528016	QSSXPIUQRWEFEX-UHFFFAOYSA-N	413.905	3.632	10	20	HHCD	
CC(C)[C@H]1N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1(C)C	817219026	PDYSNJLMLXBOCH-QGZVFWFLSA-N	408.545	3.761	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c2c(C)noc2n1	836476987	ICLCBTFNZDIPQO-LJQANCHMSA-N	408.502	3.727	10	20	HHCD	
Cc1cccc([C@H]2C(=O)NCCN2Cc2ccc(OCc3ccccc3)cc2O)c1	848950548	HMPASHQXTSBRLN-DEOSSOPVSA-N	402.494	3.953	10	20	HHCD	
CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	857758542	KECOGYILNGIORG-UXHICEINSA-N	409.574	3.783	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1Cc2ccccc2S1	916456284	CCAWSGHPNUDMCB-LJQANCHMSA-N	422.472	3.875	10	20	HHCD	
CN(C)CCOc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	916681357	TWJRIYJBFXFMKT-OAQYLSRUSA-N	413.518	3.546	10	20	HHCD	
CC(C)CN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)CC(C)C	917038027	OUXJZYAHVLAEDW-OALUTQOASA-N	407.574	3.670	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)cc1	918743470	KDYYBGXFSXEHTP-OAHLLOKOSA-N	423.604	3.612	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc([N+](=O)[O-])c1	920844303	STPNBYQPWRYCDH-GJZGRUSLSA-N	401.438	3.586	10	20	HHCD	
CCc1ccc(NC(=S)/C(=C(/O)C2=S=CC=C2)n2ccc(=[N+](C)C)cc2)cc1	1317698093	MRDYDHGXNSBMGU-UHFFFAOYSA-O	410.588	3.526	10	20	HHCD	
CN1CCN(c2ccc(CNCCc3cc(Br)ccc3F)cc2F)CC1	1318418972	NSZSAPFRGVMAST-UHFFFAOYSA-N	424.333	3.811	10	20	HHCD	
Cc1csc(CCCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	1318889336	IIIJKQYZNKRJRY-HNNXBMFYSA-N	424.517	3.954	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)nn1C	1319739410	FEPYVHHWOWNALX-UHFFFAOYSA-N	424.932	3.849	10	20	HHCD	
CCOCC(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1	1790775793	OQMDGUQDJXDWKZ-UHFFFAOYSA-N	418.877	3.535	10	20	HHCD	
CCN(CC)Cc1cccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1	472802625	KXYJRDJIDSJRGO-UHFFFAOYSA-N	406.530	3.583	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]3[C@H]2[C@@H]3C(F)(F)F)C1	683528825	AOKCPSOUNAYURR-RVHYNSKXSA-N	405.464	3.817	10	20	HHCD	
COC(=O)c1ccc2c(=O)nc(/C(Cl)=C\c3ccc(N(C)C)c(F)c3)[nH]c2c1	727655202	UBVVXXWGDQXNNM-RIYZIHGNSA-N	401.825	3.652	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](c1ccccc1)c1cccnc1	728596668	HINOELNYBJHUCV-HSZRJFAPSA-N	402.498	3.507	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1	728953275	WQHRSYKGSPAGQM-HOTGVXAUSA-N	403.548	3.735	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCn2c(S)nnc2-c2cccc(C)c2)c1	728985664	ZPWJIISMFZEAIH-CQSZACIVSA-N	412.515	3.524	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c1	729045877	ZZRXELMBKXKXDS-DJJJIMSYSA-N	414.893	3.938	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc4ncsc4c3)cc2F)CC1	730132266	ASHWJGBJRCRWBD-UHFFFAOYSA-N	413.522	3.899	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O	731600464	AVFOYEWKVJQFNB-UHFFFAOYSA-N	420.488	3.634	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(Sc2ccccc2)CC1	731683020	YDHAFSMMIBPXAP-UHFFFAOYSA-N	415.534	3.786	10	20	HHCD	
CC[C@@H]1CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	735310724	CTCVVYLSNSZPQZ-GBESFXJTSA-N	405.558	3.568	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c(C)n1-c1ccccc1Br	736585263	CBPBSAUWZSTQJJ-USCZKRCMSA-N	423.376	3.838	10	20	HHCD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ccc(N2CCC(O)CC2)c(F)c1	740083079	AILZDDLXWUXIDU-UHFFFAOYSA-N	415.896	3.780	10	20	HHCD	
CC(C)CCOc1cccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1	741100004	PILQMZVFDWYGPV-UHFFFAOYSA-N	407.514	3.743	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCOC4(CCCCC4)C3)cc2F)C[C@@H](C)O1	743555192	RWFHTTFKZLTSKN-HDICACEKSA-N	419.541	3.684	10	20	HHCD	
O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1c(O)ccc2c1CCCC2	743716193	GDFAUVYYFFZLOR-UHFFFAOYSA-N	421.522	3.839	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1OC(C)C	743895489	JYAAVAUYWIWIHN-UHFFFAOYSA-N	409.530	3.978	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccccc1OC1CCCC1	743956861	XXHNYVSLCMBPCF-UHFFFAOYSA-N	408.498	3.847	10	20	HHCD	
C[C@H]1CN(Cc2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)cc2)C[C@H](C)O1	746813961	AUXKPMDWYPXRRA-OALUTQOASA-N	407.558	3.608	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1nccs1	747679146	DANMLTNPAKTBEH-ACCUITESSA-N	423.610	3.545	10	20	HHCD	
CC[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)Oc1ccccc1F	748958092	DDWYYFPZJIUVKQ-FXAWDEMLSA-N	415.509	3.880	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cnn(C2CCOCC2)c1	749738907	ZRXAUHUWFPPPJN-UHFFFAOYSA-N	424.935	3.812	10	20	HHCD	
CC(C)(NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)c(F)c1	751082882	KXORORGKYKOYCD-UHFFFAOYSA-N	421.463	3.800	10	20	HHCD	
O=C(CCc1nc(O)c2ccccc2n1)Nc1c(-c2ccccn2)nc2ccccn12	751301213	BFJCEWFFACUBBP-UHFFFAOYSA-N	410.437	3.616	10	20	HHCD	
COc1ccc2c(c1)C[C@@H](C(=O)Nc1c(-c3ccccn3)nc3ccccn13)CO2	751307168	GJSYWMPIUVXHAC-MRXNPFEDSA-N	400.438	3.595	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c(OC)c1	752108956	DNTUFQDVFTYTQJ-SFHVURJKSA-N	414.502	3.521	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CCc2ccoc2)NC(=O)OC(C)(C)C)cc1	753316053	ODWWNOJFCGBVMK-LJQANCHMSA-N	401.507	3.660	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(Br)cn3C(C)C)CC2)cc1F	753739354	XIWDPDOFMUHSNE-UHFFFAOYSA-N	424.314	3.942	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cc4ccccc4o3)cc2F)C[C@@H](C)O1	754038192	LVULJSPGQBLPMK-GASCZTMLSA-N	418.490	3.664	10	20	HHCD	
COc1cc(C[C@@H](NCc2cc(Cl)cc(Cl)c2O)C(=O)O)cc(OC)c1	756367629	VEBLOIPGYUAURB-MRXNPFEDSA-N	400.258	3.502	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1cc(Br)c(F)cc1O	756453280	DMUSQTYSAFKQBK-PWSUYJOCSA-N	402.235	3.523	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	756720997	GQZFBWLZDNGXAI-CABCVRRESA-N	409.490	3.884	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(Br)ccc1O	757637637	INVZGRLDWQTBPP-RDTXWAMCSA-N	405.336	3.572	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)CC1(C)OCCO1	758860790	YHBAWWHNXNEDGT-SFHVURJKSA-N	415.534	3.847	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O	759003311	OFDUFZZUUVUKRL-XLIONFOSSA-N	423.579	3.838	10	20	HHCD	
COc1cc(N2CCN(C(=O)Cc3c(C)cc(C)cc3C)CC2)cc(OC)c1OC	759221232	OEIZBZJOJXSQRK-UHFFFAOYSA-N	412.530	3.529	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C(=O)c2ccc(Cl)s2)cc1	760212921	NNTHMTUMWPGTGN-INIZCTEOSA-N	406.935	3.858	10	20	HHCD	
Cc1ccc(C(=O)N[C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2ccccc2)cc1	762261519	OBKUEJBUGHQZSJ-NRFANRHFSA-N	418.493	3.626	10	20	HHCD	
Cc1cc2ncn(CC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2cc1C	768511776	JYDQLXWQQIBKKG-HDICACEKSA-N	424.520	3.722	10	20	HHCD	
CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	768914994	HNIYOAZYDOPXOC-LJQANCHMSA-N	415.921	3.789	10	20	HHCD	
COc1ccc(C[C@@H](C)CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1F	769542322	ZKGWVXXKMRBQHX-YLJYHZDGSA-N	413.537	3.504	10	20	HHCD	
CC1(C)[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1OCc1ccccc1	770349912	ILFJHYAMNWKSGY-DHIUTWEWSA-N	423.557	3.706	10	20	HHCD	
Cc1cc2c(N3CCC[C@@H]3C(=O)NCc3ccc(N4CCCC4)cc3)ncnc2s1	770815796	GUKQQOHVTRGBKY-HXUWFJFHSA-N	421.570	3.885	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc(C2CC2)nn1	773282276	CQQKJJWBOSDWSS-UHFFFAOYSA-N	421.423	3.531	10	20	HHCD	
CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773848023	RFAOCZFBZNBVEG-ZDUSSCGKSA-N	416.909	3.570	10	20	HHCD	
COc1cc(O)c(CN(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1OC	775715208	YFTUDRHUBWIHQS-UHFFFAOYSA-N	401.463	3.821	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F	775999271	IVGJVKVSKADYAE-OAHLLOKOSA-N	420.334	3.845	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)CN2CCCCCC2)cc1	779499504	IPEHUUMRUQWDEM-WUXMJOGZSA-N	409.486	3.564	10	20	HHCD	
CN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)Cc1ccc(N2CCCCC2)cc1	781914420	XKZNMBZVHXDZPM-DEOSSOPVSA-N	408.590	3.528	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1	783513226	JNUJPEBMXRDFME-KRWDZBQOSA-N	408.546	3.916	10	20	HHCD	
C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1cc(Br)cc(F)c1O	786959572	FRMUBIHWPROMLN-QMMMGPOBSA-N	408.314	3.610	10	20	HHCD	
Cc1cc(C(=O)NC2(c3nc[nH]n3)CCC2)c(C)n1-c1cccc(Br)c1	787979070	FZUGFRCYHLRDIZ-UHFFFAOYSA-N	414.307	3.784	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3cc(Cl)c(OC)cc3C)CC2)cc1	788615154	VZWVLBGXNPOWJA-UHFFFAOYSA-N	424.950	3.613	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(O[C@@H]3CCOC3)cc2)cc1	789918540	CSHSYZCDGJKFFU-BJKOFHAPSA-N	424.541	3.742	10	20	HHCD	
CCn1ccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	790203353	CFKYUHQNGMINQB-UHFFFAOYSA-N	424.467	3.705	10	20	HHCD	
C[C@@H]1OCC[C@]12CN(C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C[C@@H](C)O2	790992164	OGAMKLXOWFGVCO-DGGJZMOXSA-N	422.485	3.835	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](CO)c3ccccc3OC(F)(F)F)CC2)cc1	793349834	XTHAALCZTPEKAM-LJQANCHMSA-N	410.436	3.886	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1	793752423	UQNXXYBXXBJPNI-NFBKMPQASA-N	424.541	3.805	10	20	HHCD	
CCn1ncc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1C(F)(F)F	799262221	NQQVRWPOXPYLCB-UHFFFAOYSA-N	423.439	3.808	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cn2cc(Cl)cc(Cl)c2n1	799317148	YDKCHEKYPIWMNG-UHFFFAOYSA-N	423.275	3.547	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)n2)ccc1F	799639291	IRPCDXPBFCAOLJ-UHFFFAOYSA-N	419.503	3.760	10	20	HHCD	
C[C@@H]1OCC[C@@]12CN(C(=O)NCc1ccc(N3CCC[C@@H](C)C3)c(Cl)c1)CCO2	799995349	YYRTYIKQNGAXKZ-HYFFOGBASA-N	421.969	3.666	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cc2c(cc1Cl)OCCCO2	804224450	PUWVTSPKMUGXPK-UHFFFAOYSA-N	423.252	3.829	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(Br)c1O)c1nccn1-c1ccccc1	806066081	QCTYWXSWGGKLTG-ZDUSSCGKSA-N	415.291	3.901	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1	807098614	ZUAXQROOCYXZKL-IIBYNOLFSA-N	409.530	3.585	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CC[C@@H](CSc2ccccc2)C1)c1ccc(N(C)C)cc1	807673403	SJGVDARUIIVRAG-ZWKOTPCHSA-N	411.571	3.571	10	20	HHCD	
CC(C)CN(C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCc2cccnc21	807674317	JWWINRXHPANHAR-GCJKJVERSA-N	422.573	3.887	10	20	HHCD	
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	808371085	LZNPTIPYQAFCNN-AWEZNQCLSA-N	417.472	3.804	10	20	HHCD	
COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	808968773	WSOUHTUVGPZCQK-OAQYLSRUSA-N	411.546	3.623	10	20	HHCD	
O=S(=O)(c1ccccc1C(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1	819422366	ZQWYVKQMTHKCBC-OAHLLOKOSA-N	415.433	3.781	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3nnn(Cc4ccncc4)c3C)c2C)cc1	820466168	ZIBCWBQDDUTFKF-UHFFFAOYSA-N	416.485	3.698	10	20	HHCD	
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	857758523	JHGSAHDFWJCKAF-QGZVFWFLSA-N	401.938	3.944	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1C	915220079	CEKFUZMTFMCVTR-UHFFFAOYSA-N	418.496	3.699	10	20	HHCD	
O=[N+]([O-])c1cc(CNCc2ccc(Cn3cncn3)cc2)ccc1N1CCCCC1	915225529	SGTACZBUUBZRPR-UHFFFAOYSA-N	406.490	3.515	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916392348	OHZIOIIYWBEPCM-NRFANRHFSA-N	424.545	3.668	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(Cc2ccccc2)CC1	918218356	XAEHAPHEDSQTGQ-UHFFFAOYSA-N	411.521	3.827	10	20	HHCD	
Cc1cc(C(=O)OCc2ccn(C)c(=O)c2)c(C)n1-c1ccccc1Br	919448775	ZUIBNDSVFYHCAQ-UHFFFAOYSA-N	415.287	3.912	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)Cc3ccc(O)cc3)cc2F)C[C@H](C)O1	919912396	GGCPZHOTWOSHNN-IKGGRYGDSA-N	415.509	3.575	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OC(F)(F)F)cc1	919968673	NRGWRJIMVQGIDL-UHFFFAOYSA-N	408.420	3.724	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(F)ccc1Br	919969747	FRDKJUMEYOORCN-UHFFFAOYSA-N	421.310	3.727	10	20	HHCD	
C[C@@H](NC(=O)NCCCCN1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1	920922045	ZXNPQQBRUUALQU-WOJBJXKFSA-N	402.583	3.538	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)cc1	920927611	ZKTXMPJARLLODW-ZDUSSCGKSA-N	422.312	3.646	10	20	HHCD	
CNC(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)n1	1323918563	ZFXPFLSHJUWRNK-UHFFFAOYSA-N	419.481	3.505	10	20	HHCD	
COC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)o1	1324133209	LFKTVAQXOPEHIM-UHFFFAOYSA-N	408.454	3.988	10	20	HHCD	
Cc1nn(C)c2sc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc12	105474143	RXHRMEHJHBJWSR-SFHVURJKSA-N	412.559	3.831	10	20	HHCD	
CC(C)c1n[nH]c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1Br	111156232	VZOSGLGNOIADJS-ZDUSSCGKSA-N	421.339	3.623	10	20	HHCD	
Cc1c(CNC(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)n(C)c2ccccc12	472218812	FEWQJQWBJNIYQO-OAHLLOKOSA-N	419.447	3.554	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2nc3ccccc3cc2CO)CC1	480826447	HUVKFJKNKWRIBC-UHFFFAOYSA-N	413.477	3.550	10	20	HHCD	
CCC1(C)CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	725806429	YGVHRFIPPNVRHC-ROUUACIJSA-N	405.558	3.568	10	20	HHCD	
COCCOc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726566376	WXMHHZWECQEAOP-UHFFFAOYSA-N	420.456	3.712	10	20	HHCD	
Cc1csc(CCCCNC(=O)NCc2ccc(N3CCSCC3)cc2)n1	727173267	TVCPCCDSVPHGBR-UHFFFAOYSA-N	404.605	3.827	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S	727175650	DJAXEMZBVHWMFE-CXUHLZMHSA-N	418.927	3.606	10	20	HHCD	
COCc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1	727244341	YGXBRLBYVFYXII-UHFFFAOYSA-N	418.496	3.529	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2CCCC2=O)sc(C)c1-c1ccc(F)cc1	727707483	JULFJCDLGNBTEZ-UHFFFAOYSA-N	418.490	3.990	10	20	HHCD	
CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2C1	727946831	PYQOLQISMFKMGW-SFHVURJKSA-N	422.573	3.710	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3occc3CN3C(=O)Cc4ccccc43)ccc21	728517959	CLZNJNCLSKALHU-UHFFFAOYSA-N	415.493	3.681	10	20	HHCD	
CCOc1ccc(CCNC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1OCC	729045469	VHBKFBAKPRCGAJ-HNNXBMFYSA-N	402.491	3.801	10	20	HHCD	
Cc1nc2cc(O)nn2c(C)c1CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	729527414	NASOAYDTZRYCOF-UHFFFAOYSA-N	421.545	3.680	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)c1	731365862	BVRRJZHTRNBQLL-GFCCVEGCSA-N	412.467	3.787	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)cc2)CC1	731638339	HEILZFWUKJRNGD-UHFFFAOYSA-N	420.488	3.538	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(I)c[nH]2)cc1F	734438434	UNFBOHMUMMSXLB-UHFFFAOYSA-N	415.250	3.535	10	20	HHCD	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	740456775	CKMOZQPTROVLNL-NHCUHLMSSA-N	412.486	3.773	10	20	HHCD	
O=C(CCn1cnc2ccccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742798530	PHGBAYXXOXCBSF-MRXNPFEDSA-N	414.456	3.813	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]3c3cccc(C)c3)CC2)cc1	742940699	WJZIZVHZQFCEJD-XMMPIXPASA-N	422.573	3.672	10	20	HHCD	
CCc1ccc(N2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)cc1	743555376	WZFBIKVTKWMSRE-UHFFFAOYSA-N	424.614	3.834	10	20	HHCD	
CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	745692379	VGXIRVSAIVJVED-FCHUYYIVSA-N	422.573	3.551	10	20	HHCD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745754596	PXQRHAGERDWGER-SQNIBIBYSA-N	424.536	3.676	10	20	HHCD	
CN(C)c1ccc(N2CCC(NC(=O)NCc3ccc4c(c3)CCCN4C)CC2)cc1	745787852	AMNCBYWNJWJNNP-UHFFFAOYSA-N	421.589	3.603	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Br)s1	746010517	KGFVSVVKTZJIGE-UHFFFAOYSA-N	413.312	3.541	10	20	HHCD	
COc1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1Br	746014558	BYWKBEPHOBONCT-GDNBJRDFSA-N	403.301	3.716	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cccc(Oc2ccccn2)c1	749729887	DEOSBUQXDHAEDN-UHFFFAOYSA-N	414.512	3.568	10	20	HHCD	
C[C@@H]1CN(C(=O)c2ccc(CN[C@H](C)c3cc(F)cc(F)c3O)cc2)C[C@@H](C)O1	756479273	LGMRQQLUFWMWPN-RBSFLKMASA-N	404.457	3.771	10	20	HHCD	
C[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(F)cc1O	756608764	LXQBOTIEHMZUMR-AWEZNQCLSA-N	412.552	3.661	10	20	HHCD	
Cc1cc(C(=O)N(C)C[C@H](O)C(F)(F)F)c(C)n1-c1ccccc1Br	758482775	VIDHPTBHCUANRQ-HNNXBMFYSA-N	419.241	3.852	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N(Cc1ccccc1)c1ccccc1	759587639	BULWGZWURKLKBY-OWBHPGMISA-N	403.434	3.888	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(C(C)=O)c(C)c3)CC2)cc1	760101669	WTSRBBYMEDBJON-UHFFFAOYSA-N	424.545	3.540	10	20	HHCD	
COC(=O)c1cn([C@@H]2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)nn1	760909709	ADKFQMICVHATPJ-GOSISDBHSA-N	419.445	3.959	10	20	HHCD	
CCCC(=O)Nc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1	764766049	XOUBCWPPXIGGLQ-UHFFFAOYSA-N	420.307	3.893	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H](O)c1cc(Cl)cc(Cl)c1	765060613	RIXJTHLTXXKHKV-FQEVSTJZSA-N	423.340	3.552	10	20	HHCD	
Cn1cc(/C=C2\SC(N3CCCCC3)=NC2=O)c(-c2ccc3c(c2)OCCCO3)n1	767873776	WWLCFNQVSBMGLH-UYRXBGFRSA-N	424.526	3.705	10	20	HHCD	
COc1ccc2c(c1)OC[C@H](NC(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2	768104662	KBZQCQMUZXISMQ-HXUWFJFHSA-N	409.530	3.831	10	20	HHCD	
Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)C2)nc1	768535908	FJDOGCAIMJBQBH-ZDUSSCGKSA-N	404.854	3.508	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(Cc2ccc(F)cc2)CC1	770804751	NCIBIUAXTGZGEU-UHFFFAOYSA-N	411.521	3.827	10	20	HHCD	
Nc1c(Cl)cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1Cl	772128625	WLUXZGGWMKWNAJ-UHFFFAOYSA-N	400.649	3.903	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C(=O)OC(C)(C)C	772489819	NIAUARJYLPOXSN-VQIMIIECSA-N	416.566	3.656	10	20	HHCD	
C[C@H](NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1	773088949	QNVXPLMHWMGTHR-ZDUSSCGKSA-N	402.438	3.832	10	20	HHCD	
CC(C)n1cc2cc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc2n1	774155343	KAQXQFPNSIWXMI-UHFFFAOYSA-N	419.529	3.813	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1F	776127406	QJKOUNZBGRVIHM-LJQANCHMSA-N	409.864	3.967	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	777829420	WRZLVTGBJUPGGG-LSDHHAIUSA-N	409.816	3.629	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccc(NS(C)(=O)=O)cc2)c1O	779012079	ZRBPGNYGWFVAMY-GFCCVEGCSA-N	413.337	3.685	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(C)nc2-n2cc(Cl)cn2)c1	786950090	XNMAZJGXNHYJFJ-CYBMUJFWSA-N	400.866	3.572	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1Oc1ccncc1	787481134	RFPITTPDLLMWFT-UHFFFAOYSA-N	422.460	3.642	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(N3CCCS3(=O)=O)cc2)c(C(F)(F)F)c1	792841226	LUAHVQOXOBDJKA-UHFFFAOYSA-N	413.465	3.923	10	20	HHCD	
COc1ccc(NCc2c(O)cccc2Cl)cc1S(=O)(=O)N1CCCCC1	796391246	HBRPIYAENVKFKP-UHFFFAOYSA-N	410.923	3.841	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	797647654	LCERKYQIKVLOKX-AWEZNQCLSA-N	409.486	3.540	10	20	HHCD	
CC(C)[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1	797833040	SPEXOSXXSSHBEI-HXUWFJFHSA-N	421.463	3.993	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCCN3CCCCC3=O)cc2Cl)C1	799921987	TUDKIHXBTAVVJX-QGZVFWFLSA-N	420.985	3.778	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)C[C@H]3CCCCO3)cc2Cl)C1	800148478	MJPWMZOWLCRJMP-NVXWUHKLSA-N	400.972	3.565	10	20	HHCD	
CC(C)(C)n1ncnc1CNCc1cc(Br)cc(Br)c1O	800536515	UJICOFCXMSYLCY-UHFFFAOYSA-N	418.133	3.554	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nc(C)cs1	804882409	HWLZXBGUNSXYTI-LJQANCHMSA-N	414.575	3.572	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1ccncc1	805737857	FIUBNIFNJACMJB-JOCHJYFZSA-N	420.513	3.537	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)c(C)n1-c1ccccc1	806834040	UEAFUHBXVVCCAO-UHFFFAOYSA-N	419.525	3.619	10	20	HHCD	
Oc1ccccc1CN(CCN1CCOCC1)Cc1sccc1Br	809773829	AJUXNISGZUNEEY-UHFFFAOYSA-N	411.365	3.551	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)cc(C(=O)OC)c1	812454438	MINOICLMRNGAMD-UHFFFAOYSA-N	419.319	3.964	10	20	HHCD	
COc1cccc(O)c1CN[C@@H](C)c1ccc(Br)cc1OCCCO	812783896	MIOFKDXDBMGAKG-ZDUSSCGKSA-N	410.308	3.775	10	20	HHCD	
CCOC(=O)CN1C(=O)C(F)(F)c2cc(NCc3cccc(Cl)c3O)ccc21	816631462	SKGLQXIOEDCVDS-UHFFFAOYSA-N	410.804	3.659	10	20	HHCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	843460936	DRHMPQDGNQZBGI-OIBXWCBGSA-N	402.579	3.959	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	915315770	XYANUVHPKBGTJH-UHFFFAOYSA-N	410.518	3.531	10	20	HHCD	
COc1ccc([C@@H]2CCCN2Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)cc1	915836237	HFKZAYCYINSOOY-DEOSSOPVSA-N	424.541	3.773	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	916667270	NISMWEJTDIJZCC-INIZCTEOSA-N	401.419	3.522	10	20	HHCD	
CCCCc1nnc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	916669019	SHYNQKCQYQLBNT-ZIAGYGMSSA-N	421.542	3.955	10	20	HHCD	
CC(C)c1ccc(CN(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	917014703	DGMZHWJBARLBMW-UHFFFAOYSA-N	413.537	3.534	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(F)c(Cl)c3)cc2)C1	917596444	YWNYBLIHKMKMPO-AWEZNQCLSA-N	420.941	3.667	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(c2cccc(F)c2)CCCC1	917707482	JLVHLDAELDLAMC-UHFFFAOYSA-N	400.469	3.930	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ccc(N4CCO[C@@H](C)C4)nc3)c2C)c1	918585228	QUCUQFNADHAHNR-IBGZPJMESA-N	418.541	3.953	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2	920867434	REFUSDGCUFQWCQ-HMCOTABGSA-N	411.590	3.647	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccccc1CS(=O)(=O)NC(C)C	1116585238	UKFKKMBTYJMTHJ-VQIMIIECSA-N	402.560	3.867	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(NC(=O)c4ccco4)c3)CC2)cc1	1319396766	BCBNOOPEKWSTQD-UHFFFAOYSA-N	419.481	3.893	10	20	HHCD	
CCCCN(C(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@@H]1CCS(=O)(=O)C1	72028390	KMIRUINBQXENRX-HXUWFJFHSA-N	402.560	3.832	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(-n3cccn3)nc2)c(C)n1-c1ccccc1	105595278	ZPQXTAWMZUGZLM-UHFFFAOYSA-N	400.438	3.715	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	303514562	BZOOFXRMAPHGFW-HNNXBMFYSA-N	420.912	3.772	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Br)c(F)c1	325876477	IQODFOMQISIXPX-UHFFFAOYSA-N	415.328	3.865	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(C(=O)CC(C)C)CC3)ccc21	486712624	HNDHKMTYEHSUQP-UHFFFAOYSA-N	413.562	3.671	10	20	HHCD	
CN(C(=O)Cc1occc1C(=O)N(C)c1ccc(Cl)cn1)c1ccc(Cl)cn1	499730975	KBRUXGSPKBNZPE-UHFFFAOYSA-N	419.268	3.859	10	20	HHCD	
O=S(=O)(Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc2nsnc12	614802566	TVABADORUPSDBM-UHFFFAOYSA-N	423.369	3.695	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3cc(-c4ccco4)on3)CC2)cc1	725842743	SULAKNLYIQEIJT-UHFFFAOYSA-N	413.499	3.525	10	20	HHCD	
COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2ccc(C)c(O)c2O)cc1	727003821	HPSOFBHAFVFTBZ-IBGZPJMESA-N	413.470	3.716	10	20	HHCD	
CCCc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)OC)c3)cs2)cc1	727247877	RIADYGDUAIOPCW-UHFFFAOYSA-N	405.501	3.678	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1	731678560	PVTIQMVGJRGGRX-QHCPKHFHSA-N	416.525	3.802	10	20	HHCD	
CCc1c(C(=O)NCCCSc2nccs2)nnn1-c1cccc(Cl)c1	733974180	HYBAHXRKZQKGRZ-UHFFFAOYSA-N	407.952	3.852	10	20	HHCD	
CN1C(=O)C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1c1cccc(Cl)c1	734421906	HGJWDDSLRQDJGN-UNMCSNQZSA-N	411.933	3.776	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1	734703062	IJCSQVWOXXBHMN-UHFFFAOYSA-N	415.584	3.795	10	20	HHCD	
CCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	735520361	YWLKDFNXGQKUMJ-HXUWFJFHSA-N	421.497	3.798	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)c(C)n1-c1ccccc1	738309357	OGSTZHVTMCOLOO-NHCUHLMSSA-N	422.617	3.767	10	20	HHCD	
CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1C	743046232	QRXDOHJMXGWNOW-UHFFFAOYSA-N	402.545	3.933	10	20	HHCD	
C[C@H](c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1)N1CCOCC1	743148785	CAHICKSULYVILE-QGZVFWFLSA-N	409.530	3.986	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(Oc2ccncc2)c1	743956753	VFDIDWOEDWOEMH-UHFFFAOYSA-N	417.465	3.713	10	20	HHCD	
CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743976057	YWPXCMWGLVGWRL-MRXNPFEDSA-N	417.456	3.574	10	20	HHCD	
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	745837976	QCGSQXRQHGOAIO-PKOBYXMFSA-N	408.564	3.592	10	20	HHCD	
Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)cc1	746798977	UHFIYAUQOREBKP-UHFFFAOYSA-N	411.477	3.934	10	20	HHCD	
CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	747993966	SWOGLJAHBULURL-KRWDZBQOSA-N	421.501	3.805	10	20	HHCD	
COc1cc(C2(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)CCC2)ccc1C	750179212	CFQXJBSEUJYNMV-UHFFFAOYSA-N	424.541	3.693	10	20	HHCD	
O=C(CN1CCC[C@@H]1c1ccccn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	751483698	SFEJIGBHMFCFMZ-JOCHJYFZSA-N	411.461	3.633	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NCCC1=CCCCC1	751930311	HIIKICNTBHMOPI-OAHLLOKOSA-N	413.543	3.868	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	756102053	MBBLQXQOUMCAKM-UHFFFAOYSA-N	408.260	3.764	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1c(-c2ccccn2)nc2ccccn12	760533564	YQSUOYLKRFXKPO-HNNXBMFYSA-N	400.438	3.910	10	20	HHCD	
Cc1ccnc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)c1	761599829	QZZYFBRMCVRMFX-UHFFFAOYSA-N	414.468	3.675	10	20	HHCD	
C[C@@H](CNc1ccccc1)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	762652947	AAWBLCLVUPMBAB-OKZBNKHCSA-N	414.525	3.739	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Br)ncc1F	762730305	BGRNTSILYUETAH-LBPRGKRZSA-N	412.278	3.810	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCOc1ccccc1Br	763284631	SKHLIHJQCWBOES-CYBMUJFWSA-N	408.292	3.767	10	20	HHCD	
COc1cc(O)c(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC	768268903	JTMCLPGUXGVQDL-PXNMLYILSA-N	417.464	3.513	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	768684790	DGLCBAFXFDAMBP-AZUAARDMSA-N	403.567	3.648	10	20	HHCD	
CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769205067	CXKZNANGNHMPMK-LJQANCHMSA-N	402.539	3.569	10	20	HHCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C1CCN(C(=O)c2ccccc2)CC1	769232817	NFXXXOUIYQCPGG-UHFFFAOYSA-N	403.866	3.690	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2Oc2cccc(F)c2)c1	769716510	LFTGBVHYCFTPQE-UHFFFAOYSA-N	416.430	3.947	10	20	HHCD	
Cc1cc(C(=O)NCc2nc(CN3CCCCC3)no2)c(C)n1-c1ccc(F)cc1	773489626	TYGIJJXXKPXREJ-UHFFFAOYSA-N	411.481	3.532	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1CSC1=NCCS1	773768452	FTUSDAGXBLJCAI-CYBMUJFWSA-N	402.541	3.795	10	20	HHCD	
CN(C)[C@@H](CNCc1cc(Br)cc(Br)c1O)c1ccco1	775801231	OQVQFEGVJPGCDO-ZDUSSCGKSA-N	418.129	3.903	10	20	HHCD	
O=C(Nc1sccc1C(=O)NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1O	778918624	LUKNEZBMIFBGCY-UHFFFAOYSA-N	418.858	3.701	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1	779353064	RTYVBOXQFAFZQN-UHFFFAOYSA-N	409.456	3.823	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1noc2c1CCCCC2	780558060	IRSJJGJZECNTTG-UHFFFAOYSA-N	405.445	3.944	10	20	HHCD	
COc1cc(N(C)Cc2cc3ccccc3nc2N2CCOCC2)cc(OC)c1OC	780774789	NVSQMJLEYUSLFQ-UHFFFAOYSA-N	423.513	3.734	10	20	HHCD	
Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1O	780922677	XTNWYXGOHQJHEK-IAGOWNOFSA-N	404.507	3.800	10	20	HHCD	
O=C(/C=C/c1ccc(O)cc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	781076703	WVPYIZSZAGSRIK-FPYGCLRLSA-N	406.404	3.577	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1	782708648	GXVQLEQPEWVHSV-NRFANRHFSA-N	409.534	3.638	10	20	HHCD	
CC(C)Oc1cccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	786845312	QDSANABSOUTQHD-UHFFFAOYSA-N	411.546	3.593	10	20	HHCD	
Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)n2)c1	787016747	GKXXKAUDUKYFMM-CVEARBPZSA-N	410.497	3.563	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1	789509243	XZRQFUQUEPQRGU-RLFYNMQTSA-N	412.559	3.676	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1	789837988	IYFLBKQSXGOXMR-POXGOYDTSA-N	404.532	3.898	10	20	HHCD	
CC(=O)c1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)ccc1C	789930762	CITLNAOYSNRNGD-UHFFFAOYSA-N	415.493	3.942	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CC=CCC3)cc2Cl)C1	793820403	SLMUDXXMJROYQI-SJORKVTESA-N	403.954	3.665	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(C)(C)Cc3nc4ccccc4[nH]3)CC2)cc1	798402873	ASKGDYIHQKSHQK-UHFFFAOYSA-N	406.530	3.879	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC4(C3)OCCO4)cc2Cl)C1	800720556	URJNXBMWAHPJLT-INIZCTEOSA-N	407.942	3.625	10	20	HHCD	
O=C(NCCc1cc(F)ccc1F)C(=O)N(Cc1ccccc1O)C1CCCCC1	805823488	DVSOKIKMTHXBFY-UHFFFAOYSA-N	416.468	3.691	10	20	HHCD	
CC[C@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1cccc(Cl)c1O	806136972	FLJNJURSTMXPEY-NQIIRXRSSA-N	415.965	3.984	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)[C@H](C)c1ccccc1	806870995	QUXNVGNGUWXCDI-ZWKOTPCHSA-N	406.482	3.822	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@H]3CCCc4c3[nH]c3ccccc43)cc2)CC1	808695114	JPLAUKZZWMBSFV-QFIPXVFZSA-N	409.555	3.570	10	20	HHCD	
Cc1cc(Br)cc(CN(C)CCn2cc(Br)cn2)c1O	809792772	GOCWPRMPVGXQCF-UHFFFAOYSA-N	403.118	3.554	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)nn1C1CCCCC1	810368864	JTNQNHMXCQWEES-UHFFFAOYSA-N	410.518	3.536	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c1	812043192	HKGFMYMLOGZQFD-WKILWMFISA-N	421.538	3.531	10	20	HHCD	
CC(C)OCc1nc([C@H](C)NC(=O)N(Cc2ccco2)Cc2ccccc2O)no1	812649667	ZFODENHNRJYQSD-HNNXBMFYSA-N	414.462	3.766	10	20	HHCD	
CC(C)(NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1F	813590073	HDWQZGXQYMSDPT-UHFFFAOYSA-N	403.473	3.660	10	20	HHCD	
CCc1ccc([C@@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2)cc1	814284962	VZYUZVAFEJPECT-OAQYLSRUSA-N	411.521	3.924	10	20	HHCD	
Cc1cnc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc1-c1ccccc1F	814828340	YGBHQVUOFMJVGG-GOSISDBHSA-N	419.504	3.905	10	20	HHCD	
COC(=O)[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc2O1	913266809	JCWQVXNEGATCNS-JOCHJYFZSA-N	404.466	3.983	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccn1	914847664	DPNPBBFOPQWFAN-INIZCTEOSA-N	411.527	3.726	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	914903967	WMYUDLPJXKEAKY-INIZCTEOSA-N	405.454	3.876	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1	915926836	DMMZBZQAQNQTJU-UHFFFAOYSA-N	415.541	3.710	10	20	HHCD	
COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c1	916097137	YPMVKUYRTIYSCA-UHFFFAOYSA-N	421.456	3.536	10	20	HHCD	
Cc1cc(CCNC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccccc1	916221167	RWWGRIJTZZBRGI-GOSISDBHSA-N	422.495	3.820	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)cc1	916505418	ZFHVBMTZQBCXBD-UHFFFAOYSA-N	414.571	3.502	10	20	HHCD	
COc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2ccco2)cs1	917898363	RQQACBQPXPEVEQ-UHFFFAOYSA-N	415.290	3.975	10	20	HHCD	
CNC(=O)c1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	919656702	HABGFFZZTSDSCG-UHFFFAOYSA-N	420.513	3.617	10	20	HHCD	
COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c1	920314414	ZGVILGZIGDCOFS-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
C[C@H](NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)c1ccc(N2CCOCC2)cc1	920886179	BPVFWNBJKNGIOY-AWEZNQCLSA-N	424.467	3.985	10	20	HHCD	
Cc1ccn(-c2cccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2)n1	1251330815	SYBOEQHORYAURO-QZTJIDSGSA-N	422.504	3.863	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1c[nH]c(C(F)(F)F)c1	1320970899	BKQSGNDKDYXFGT-UHFFFAOYSA-N	401.454	3.845	10	20	HHCD	
CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCc3ccc(N(C)C)cc3)cc2)cc1	16732686	KXVOQCMUGFZUFO-UHFFFAOYSA-N	423.538	3.857	10	20	HHCD	
Cc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c12	22388887	MHSMLKPFMZSPDM-UHFFFAOYSA-N	406.486	3.517	10	20	HHCD	
Cc1noc2nc(C(C)C)cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c12	97006335	DNHWWYPQCCEJED-UHFFFAOYSA-N	408.502	3.763	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)c3ccc(S(C)(=O)=O)cc3)ccc21	483443754	VYCJAJBYMARSSI-UHFFFAOYSA-N	414.527	3.585	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2cccc(C(F)(F)F)n2)CC1	530377377	YTJXAIOAKJNSBG-UHFFFAOYSA-N	401.388	3.923	10	20	HHCD	
O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566676	ZEGYADYAHBMMSG-UHFFFAOYSA-N	405.401	3.524	10	20	HHCD	
COCCCN1CCC(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	727038769	FACGBPJMLNESOI-UHFFFAOYSA-N	423.517	3.658	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(CC(C)(C)CN(C)C)C1=O)O[C@@H](C)C2	727176445	KRVACQVBUKQIPL-VQIMKDEXSA-N	420.600	3.808	10	20	HHCD	
CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728197452	CVBRYCLFVIXTJK-MJGOQNOKSA-N	424.541	3.846	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(OCc3ccccn3)c2)c1	728945900	OVQIOBBRAHJMQS-MRXNPFEDSA-N	407.470	3.935	10	20	HHCD	
CC(C)COc1ccc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	730120284	HEFUXTWEAFVUAT-UHFFFAOYSA-N	411.546	3.600	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC)c(Cl)c3)cc2F)CC1	730133185	KWZYUJDZDBFCBU-UHFFFAOYSA-N	420.916	3.951	10	20	HHCD	
Cc1cc(NC(=O)[C@H](C)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)on1	731036061	FDYAPKJQZWSUBZ-HNNXBMFYSA-N	414.506	3.788	10	20	HHCD	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(C)s2)cs1	731055546	XQNLMPJRDAAHND-UHFFFAOYSA-N	423.541	3.948	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cn(C)nc3-c3ccccc3Cl)CC2)cc1	731165427	TWXPUSWGAONYST-UHFFFAOYSA-N	410.905	3.712	10	20	HHCD	
COc1cc(C(C)=O)ccc1OC[C@H](O)CN(Cc1ccccc1O)C1CCCC1	731847703	MNDMBEXHFUTULN-OAQYLSRUSA-N	413.514	3.788	10	20	HHCD	
Cc1cc(-c2noc(CCC(=O)NCCCSc3nccs3)n2)ccc1F	733972917	ZLBWOVJZBBBGTE-UHFFFAOYSA-N	406.508	3.872	10	20	HHCD	
CC[C@@H](NC(=S)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccs1	734373336	ITMSFTLVPIYYJX-FUHWJXTLSA-N	416.616	3.565	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1	734687030	CTAMGRJFSRQENL-CALCHBBNSA-N	404.555	3.600	10	20	HHCD	
CCO[C@H](C)c1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	742557045	PEPKCRMBTONQRH-RBSFLKMASA-N	421.538	3.923	10	20	HHCD	
CCO[C@@H](C)c1nc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cs1	743051811	RKWVDHRTODWKHW-AWEZNQCLSA-N	405.545	3.963	10	20	HHCD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	743338563	GVDQLQRZYFLTBX-JOCHJYFZSA-N	424.541	3.828	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OCCCOC)nc1	743809613	ZYNHHDLMWPSOCW-UHFFFAOYSA-N	423.307	3.627	10	20	HHCD	
O=C(COC(=O)CCn1cc([N+](=O)[O-])cn1)Nc1ccc(N=Nc2ccccc2)cc1	746596894	UAAUWUJNBFZEBJ-UHFFFAOYSA-N	422.401	3.779	10	20	HHCD	
COC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C)o1	746769175	DYUBSLSMMRRLEW-YJBOKZPZSA-N	423.460	3.845	10	20	HHCD	
Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1ccc2c(c1)CCCN2C	746813677	ZHFKMNRHPFAZFZ-UHFFFAOYSA-N	405.546	3.525	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)ccc21	746880349	WADCFKLOANHINS-UHFFFAOYSA-N	401.551	3.722	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1F	751930187	GEWOCONPYMSIBW-CYBMUJFWSA-N	413.474	3.948	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1F	753857075	JGLUFYNKYVJCFK-KRWDZBQOSA-N	407.530	3.603	10	20	HHCD	
COc1ccccc1N1CC[C@H](N[C@@H](C)c2cc(Br)ccc2O)C1=O	756741562	GOGIQXJNFSVLBD-WFASDCNBSA-N	405.292	3.619	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2cc(F)ccc2Br)SC1=S	761176244	LZUOGADHPSJXJQ-YRNVUSSQSA-N	404.282	3.654	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(c4nc(F)c(F)cc4F)CC3)c2c1	762097070	PLOBHNXOUNMRLD-UHFFFAOYSA-N	403.404	3.689	10	20	HHCD	
C[C@@H](N[C@@H](c1ccc(F)cc1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764813883	GJPSSQBLVFTZBS-ZHRRBRCNSA-N	412.484	3.975	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3cncc4ccccc34)cc2F)CC1	765043476	MHLZWPMJZUMGDI-UHFFFAOYSA-N	420.532	3.765	10	20	HHCD	
COc1ccccc1N1CC[C@@H](CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	765545588	LMVCBZMYVUYXHJ-MOPGFXCFSA-N	413.537	3.848	10	20	HHCD	
CCOCCCN1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)[C@@H](C)C1	766024505	WWIBHENIXWLJMY-YDHSSHFGSA-N	424.029	3.964	10	20	HHCD	
COc1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cnc1Cl	767784178	JTFRKQPZWLQSHB-UHFFFAOYSA-N	410.923	3.973	10	20	HHCD	
CC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1NC(=O)OC(C)(C)C	769485961	REDXVIYQVZTYGN-QUCCMNQESA-N	421.557	3.788	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	769562552	FREAVQZNKCUCDE-SBUREZEXSA-N	420.553	3.887	10	20	HHCD	
CCc1noc(C)c1[C@@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	769876732	URZUNXQZVCAFKZ-MRXNPFEDSA-N	424.524	3.652	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OCC(F)(F)F)c1	770153021	CBMFJQZSSDCPFU-UHFFFAOYSA-N	412.383	3.533	10	20	HHCD	
O=C(CN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1)Nc1ccccc1F	770381953	QLTNXCDEIFHRKP-UHFFFAOYSA-N	410.537	3.572	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC(=O)c1ccc(Br)cc1	772540585	IVEWCTDUNIMZCX-CYBMUJFWSA-N	420.303	3.961	10	20	HHCD	
Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	774833092	VCDXUVDDWXTVFQ-CEXWTWQISA-N	413.537	3.715	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)Cc2ccccc2Cl)cc1	775059841	UZSNFCLDOQKOGO-UHFFFAOYSA-N	404.923	3.593	10	20	HHCD	
Cc1ccc2nc(NC(=O)CN[C@H](C)c3ccc(N4CCOCC4)cc3)sc2c1	775258718	ABPLIYIJOGVXJC-MRXNPFEDSA-N	410.543	3.731	10	20	HHCD	
O=C(c1c(F)cccc1Cl)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775664667	OQWDHMHTIYZZNO-UHFFFAOYSA-N	401.240	3.935	10	20	HHCD	
CCOC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccc(OC)c(F)c1	775752289	SPBNSAXMTNUVJP-SFHVURJKSA-N	409.841	3.790	10	20	HHCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCO1	778753261	ORJZWYOHBQLKBY-IRLDBZIGSA-N	403.567	3.648	10	20	HHCD	
CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2ccc(C)c(O)c2O)cc1	780929855	FTDZKRJYXNUADD-UHFFFAOYSA-N	409.486	3.734	10	20	HHCD	
COc1c(F)cc(F)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784062061	WMUNOHKIMJSLMO-UHFFFAOYSA-N	403.429	3.860	10	20	HHCD	
CCc1c(C)[nH]c2ccccc2c1=NCc1ccc(N2CCN(C(C)=O)CC2)cc1	786071072	UTEIBMWCXKMVIO-UHFFFAOYSA-N	402.542	3.808	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CN(C(=O)OC(C)(C)C)C1	788609532	QGKXVQPKHRXRCH-DNVCBOLYSA-N	423.985	3.855	10	20	HHCD	
COCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CC[C@H](C)C1	790220526	XUEWCWSPGIDCCA-PNYFIKQUSA-N	421.557	3.786	10	20	HHCD	
Cc1cccc(OC[C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	793797250	FOQUBIDNFYTIKI-HXUWFJFHSA-N	423.557	3.527	10	20	HHCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)Nc1cccc(-c2ncco2)c1	797744046	LYZKNTSBIYPSMF-UHFFFAOYSA-N	401.806	3.819	10	20	HHCD	
COc1cc(Cl)cc(CNc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1O	798082954	HUKTYWUYIDIYFM-ZIAGYGMSSA-N	404.894	3.916	10	20	HHCD	
CCOCc1cc(CN[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)ccc1OC	798088743	TXFWEYXZISCLIM-JTSKRJEESA-N	405.560	3.804	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1cnnn1C	798397582	HXULEVZAMWBTDQ-MRXNPFEDSA-N	403.408	3.740	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(C(N)=O)c3)cc2Cl)C1	800000390	CUBFUULBBGHNQF-CQSZACIVSA-N	400.910	3.997	10	20	HHCD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NCc1ccc(N2CCSCC2)cc1	806423344	GGNHVLBCRKSIPV-UHFFFAOYSA-N	413.469	3.622	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)cc1	808027023	CNGLXPMSKGTDPL-UHFFFAOYSA-N	400.544	3.546	10	20	HHCD	
CN(CCCn1ccnc1)Cc1cc(Br)cc(Br)c1O	809753713	YHHCUFWGBRMCNC-UHFFFAOYSA-N	403.118	3.636	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)n(C2CCCCC2)n1	810351853	WJUQLZXBBRXCCY-UHFFFAOYSA-N	411.550	3.750	10	20	HHCD	
C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1(F)F	812067312	MQRVDLHLZCVPSW-KBPBESRZSA-N	403.420	3.944	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(CCCc2ccccc2)n1C[C@H]1CCOC1	812395651	FEMYKBNXHIKPNW-HXUWFJFHSA-N	406.530	3.832	10	20	HHCD	
C[C@@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1O	815587063	YOIUMIXZOJRKSY-CQSZACIVSA-N	415.500	3.688	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)c(C)n1-c1cccc(C(C)C)c1	816997263	COHFAMQUCYTOSQ-SFHVURJKSA-N	402.560	3.724	10	20	HHCD	
CC(C)Oc1ccc(NC(=N)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	849070355	JMZCBVGUJAOKHQ-UHFFFAOYSA-N	400.498	3.710	10	20	HHCD	
COc1ccc(C)cc1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916456290	CFLIBKIBBXHBEA-UHFFFAOYSA-N	422.447	3.718	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	917754554	ZPXJEHBDBDQMIH-UHFFFAOYSA-N	409.316	3.556	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)nc1-c1ccccc1	917846966	KOJBBZPKKVWGJF-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl	918294594	HLJHWLMLASQOAK-KRWDZBQOSA-N	402.878	3.500	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1SC(C)C	1320142982	PZBBPYLQLUYYBO-INIZCTEOSA-N	403.500	3.503	10	20	HHCD	
Cc1cc(-c2nnc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)o2)c(C)n1-c1ccccc1	1322093307	LSBZDEPBOLPNPD-ROUUACIJSA-N	404.470	3.819	10	20	HHCD	
O=C(NC1(c2ccc(NC(=O)C(F)F)cc2)CCC1)c1cc(O)c(O)c(Cl)c1	1787709632	XJDWZTPDUGQOJE-UHFFFAOYSA-N	410.804	3.764	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@H]2F)cc1	1799961515	OJRZYDIIEKBZLP-WFMNFSIZSA-N	409.505	3.704	10	20	HHCD	
Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	71939562	JFUSMDDMBMQNGM-UHFFFAOYSA-N	415.490	3.742	10	20	HHCD	
C[C@H]1CN(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)C[C@@H](C)O1	303013646	KBTLUVSFVBLMQB-OKILXGFUSA-N	413.465	3.840	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCCc4c(C(N)=O)cccc43)ccc21	482867279	IPUCVFNIWZZGMV-UHFFFAOYSA-N	405.498	3.596	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C[C@@H](c1ccccc1)C(F)(F)F	728658792	YDVSUWNABXWIHY-IBGZPJMESA-N	422.447	3.990	10	20	HHCD	
Cc1c(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C	729630073	FEIBVAQEKISTGV-UHFFFAOYSA-N	421.545	3.993	10	20	HHCD	
O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc(O)cs1	732263507	PSBYJAPCIVZGAT-UHFFFAOYSA-N	410.423	3.785	10	20	HHCD	
CC[C@@H]1CCCCN1CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	733351633	MDGJSDVDFQBPLC-GOSISDBHSA-N	424.536	3.821	10	20	HHCD	
Cc1noc(C)c1[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	733803977	UBIPHSLZWAIFOS-MJBXVCDLSA-N	404.486	3.605	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CC3)cc2F)C[C@@H](C)O1	734320821	YYLVHQPUZABSAJ-IYBDPMFKSA-N	400.469	3.926	10	20	HHCD	
C[C@@H]1CSCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	737713310	WKGZWZAXRYDNKH-XTCQQWIJSA-N	412.627	3.693	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)Cc2cccs2)NC(=O)OC(C)(C)C)cc1	742750497	CNMLPACEHFATQY-GOSISDBHSA-N	403.548	3.739	10	20	HHCD	
O=C(CSCc1ccncc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806673	UNEOFIXQICLRPE-INIZCTEOSA-N	407.486	3.701	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H](C)Oc3cccc(F)c3)CC2)cc1	743675566	WKSFYLQTJVHKNS-QGZVFWFLSA-N	401.482	3.524	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)N[C@@H](C)c3cc(OC)ccc3O)n2)c1	743706362	ZMULQHHNQAFGAL-QWHCGFSZSA-N	412.446	3.581	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccnn1C1CCCCC1	743888671	AWHHBXKOQVPDGM-UHFFFAOYSA-N	423.561	3.976	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cccc(OC)c2O)cc1OC1CCCC1	745799521	AMYHXQINAJRHHA-UHFFFAOYSA-N	400.475	3.730	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccn1	750138344	OHSHXMYWUAXTNG-IBGZPJMESA-N	408.889	3.678	10	20	HHCD	
CCS[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	750299130	LDZWIEMQXPZAOH-RTWAWAEBSA-N	405.608	3.759	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3nc(-c4ccccc4F)oc3C)CC2)cc1F	753738347	OTKZWFABVKJOBW-UHFFFAOYSA-N	413.424	3.899	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)C(C)(C)CN(C)C	754376735	DYCDOSMLKRNJJN-CYBMUJFWSA-N	400.361	3.663	10	20	HHCD	
COc1cc(CN[C@H](C)c2cc(Br)c(F)cc2O)ccc1OCCO	756441317	KHKBVTGOZNFPHC-LLVKDONJSA-N	414.271	3.524	10	20	HHCD	
C[C@@H](NCCCC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1O	756730222	MORFKNXZWZJRHG-QGZVFWFLSA-N	401.938	3.825	10	20	HHCD	
Cc1cnn(-c2ccc(S(=O)(=O)Nc3cccc(N4CCCC4)c3)cc2F)c1	757558546	ZZELGSYVWHNXNQ-UHFFFAOYSA-N	400.479	3.721	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3ccc(-n4ccnc4)cc3)CC2)cc1	764685601	WSNXGEXAQVLQTD-OAQYLSRUSA-N	419.573	3.744	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(N2CCOCC2)cc1Cl	764841926	ZVOMTMGAANCMAC-MRXNPFEDSA-N	417.937	3.725	10	20	HHCD	
CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)c1	765266524	NLMVQJWYWXTJOA-MRXNPFEDSA-N	405.539	3.575	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(Br)cc(OC)c3)CC2)cc1	766487549	XAEGFNHLGLABPQ-UHFFFAOYSA-N	420.307	3.820	10	20	HHCD	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cs1	768851406	XSAGZXCMYQCDSY-UHFFFAOYSA-N	403.413	3.859	10	20	HHCD	
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	768878263	QMYCGWFMCJOMLK-UHFFFAOYSA-N	414.531	3.605	10	20	HHCD	
O=C(Oc1ccccc1)N1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769301942	HVMNMCRUTGUWPE-UHFFFAOYSA-N	405.838	3.661	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)cc1	775255972	SOFGUZXNLILQKA-UQBPGWFLSA-N	407.558	3.750	10	20	HHCD	
Cc1cc(Br)cc(CNc2cc(-c3ccoc3C)nn2CCO)c1O	777462185	BTWMNETTYJJTIZ-UHFFFAOYSA-N	406.280	3.832	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1c(C)oc2ccc(OC)cc12	777827188	XMNBTNJOAHEHIB-UHFFFAOYSA-N	417.845	3.924	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccc(OC(C)(C)C)nc3)CC2)cc1	778793017	QWWMEYCUKIOJIR-UHFFFAOYSA-N	412.534	3.689	10	20	HHCD	
CCc1cnccc1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	779340096	IFNPPYMVFXWRQH-UHFFFAOYSA-N	404.461	3.714	10	20	HHCD	
COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1F	780838367	UVHRFQOVCIHJFH-UHFFFAOYSA-N	410.648	3.757	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4F)o3)cc2)CC1	786259141	LHFARWHUBHWBMD-UHFFFAOYSA-N	421.472	3.684	10	20	HHCD	
Cc1cc(CC(=O)N(C)Cc2ncnn2CC(F)F)c(C)n1-c1ccc(Cl)cc1	786501420	LIQUCQLVOGJQGJ-UHFFFAOYSA-N	421.879	3.805	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(Cc2c(O)ccc3ccncc23)CC1	794680091	VHZCDCLMQBRAOU-UHFFFAOYSA-N	413.477	3.759	10	20	HHCD	
O=C(CCCC1CCOCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	798397366	BUHCIMRYUSJPRH-UHFFFAOYSA-N	414.468	3.755	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCCO[C@H]3CCOC3)cc2Cl)C1	799947795	OFUYAEPJKRSTAE-WMZOPIPTSA-N	409.958	3.571	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCCCOC2CCCC2)cc1)C1CCCCC1	803676593	NJEXANWHYIAVPA-UHFFFAOYSA-N	415.578	3.537	10	20	HHCD	
O=S(=O)(Cc1cccc(Br)c1)NCCCSc1nccs1	805001833	RNRFRIDAPYFPQD-UHFFFAOYSA-N	407.380	3.507	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	805312627	SPXCRUWGGBOYLN-NEPJUHHUSA-N	418.321	3.755	10	20	HHCD	
Cc1cc(C(=O)CN(C)Cc2nncn2C)c(C)n1-c1cc(Cl)cc(Cl)c1	805823185	ARQZRHKHCWIXJF-UHFFFAOYSA-N	406.317	3.844	10	20	HHCD	
CC[C@@H](NCc1ccc(OCC(N)=O)c(OC)c1)c1cc(Cl)cc(Cl)c1O	806134642	MGRHZIZUEUYRPL-OAHLLOKOSA-N	413.301	3.813	10	20	HHCD	
Cc1ccc(C2=NO[C@H](CNC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)cc1	807209992	IKPNUZMNNBLEGE-HNNXBMFYSA-N	408.285	4.000	10	20	HHCD	
COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807673092	NHTREDXUQHVVJH-LAUBAEHRSA-N	411.546	3.842	10	20	HHCD	
Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F	808564797	HDFPWPOMGCDKMK-UHFFFAOYSA-N	407.854	3.553	10	20	HHCD	
CC[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(C(F)(F)F)cc1O	810209101	LZGBBQYODSCOLB-GOSISDBHSA-N	408.468	3.799	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1	812842345	IPYDQAQPDHSOGQ-OAQYLSRUSA-N	417.912	3.852	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1F	857464544	HHWWOMACZSHBLY-UHFFFAOYSA-N	406.885	3.994	10	20	HHCD	
Cc1cc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c(C)n1-c1ccccn1	914849681	PSJKDLBGLDQAQM-UHFFFAOYSA-N	411.889	3.886	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CC[C@H]3CCCO3)c2C)cc1	914970808	COTHZFRKPLATCZ-LJQANCHMSA-N	413.470	3.566	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3c(F)cccc3Cl)CC2)cc1	916980810	FYVDXEZODNHFHP-UHFFFAOYSA-N	420.916	3.822	10	20	HHCD	
CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	918438281	LOAYMOPAIIJCRV-UHFFFAOYSA-N	411.571	3.792	10	20	HHCD	
Cc1ccc(CN(C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)C2CC2)o1	919077778	XUPIFNJTXJXVLA-UHFFFAOYSA-N	407.470	3.739	10	20	HHCD	
COc1ccc(C)cc1-n1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1	920881495	FKPUCQDNFWPMSE-GOSISDBHSA-N	420.513	3.517	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCc3ccc4c(c3)CCO4)cc2F)C[C@@H](C)O1	1322457951	UXBBVPTZCQOGOY-IAGOWNOFSA-N	412.505	3.623	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@@]3(C)CCN(Cc4ccccc4)C3)cc2F)CC1	1322573818	BVCHZHGQZKLGRV-RUZDIDTESA-N	410.581	3.579	10	20	HHCD	
Cn1cc(-c2ccc(NC(=O)N(Cc3ccccc3O)C3CCCCC3)nn2)cn1	1344060078	BDCFCRGDEPUCAI-UHFFFAOYSA-N	406.490	3.950	10	20	HHCD	
COc1ccc(C(=O)CCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	108406503	MEXSNWLKFDQWJM-UHFFFAOYSA-N	410.514	3.543	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1F	148963821	DCLMUMCJTCCHNG-KRWDZBQOSA-N	404.555	3.665	10	20	HHCD	
O=[N+]([O-])c1cnc(N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Br)c1	301876570	SHVXQQAZAFNCBA-AWEZNQCLSA-N	408.252	3.644	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)cc1F	303400776	ZZXPZJKGSDAHJY-OAHLLOKOSA-N	416.497	3.967	10	20	HHCD	
CCOc1ccccc1[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)NC(C)=O	728267718	QTTPEVJBXZMRBG-JOCHJYFZSA-N	409.530	3.569	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2[nH]c3ccc(Cl)cc3c2C1	729483683	WDCVJFIYKYCUAZ-UHFFFAOYSA-N	410.949	3.904	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cc(F)ccc4F)n3)ccc2N1	731058927	HKJXXWNOIWHLLZ-UHFFFAOYSA-N	421.450	3.774	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCCN(C)C(=O)OC(C)(C)C)cc2)CC1	731118190	XZXZBNIXWGEDOA-UHFFFAOYSA-N	418.582	3.979	10	20	HHCD	
Cn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(-c2ccccc2Cl)n1	731185896	HIOSDMZXCWSKEE-UHFFFAOYSA-N	410.905	3.507	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1	734514625	NNFNKZDQDVIPKV-KRWDZBQOSA-N	406.452	3.850	10	20	HHCD	
Cc1cccc(N2C[C@@H](C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)CC2=O)c1C	735519479	RUZNTNPCZPHACQ-LEWJYISDSA-N	422.525	3.570	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c2)oc1C	741097510	SZVRMASUIAIPAV-UHFFFAOYSA-N	416.481	3.590	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	741734523	WYNQDZSUJZOGMN-INIZCTEOSA-N	417.937	3.644	10	20	HHCD	
COCCOC[C@@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	743383230	ORBBOVADUBQGNV-GOSISDBHSA-N	423.509	3.959	10	20	HHCD	
CCSCC[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	743555256	UELFWFFJULCTJJ-CQSZACIVSA-N	419.513	3.873	10	20	HHCD	
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1c(O)ccc2c1CCCC2	743718952	PHOPANHUZYNHNT-UHFFFAOYSA-N	410.558	3.610	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCCc1ccc(F)cc1	743871253	YXTCGUCFXYZARW-AWEZNQCLSA-N	423.326	3.863	10	20	HHCD	
COc1cc(OC)c(OC)cc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	745312036	GERXQIRZPNKETM-UHFFFAOYSA-N	415.534	3.899	10	20	HHCD	
Cc1cccc(N2CCN(CCC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CC2)c1	746118471	ZYCCODLLTCNTBA-UHFFFAOYSA-N	420.601	3.764	10	20	HHCD	
C[C@H](SCC(=O)NCc1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1	746593119	ARUGUFRZQAGHHN-INIZCTEOSA-N	410.543	3.510	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CC3(NC(=O)OC(C)(C)C)CCC3)CC2)cc1	746838277	UEIZVBQVKHKONW-UHFFFAOYSA-N	417.550	3.571	10	20	HHCD	
COc1ccc(Br)c(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1	747855913	DGUXDQGPJZVMGQ-UHFFFAOYSA-N	415.290	3.975	10	20	HHCD	
Cc1cc(C(=O)CN(C[C@@H]2CCOC2)C2CC2)c(C)n1-c1ccc2c(c1)OCCO2	749835241	GDOWZECUZSLXRN-SFHVURJKSA-N	410.514	3.549	10	20	HHCD	
CC(=O)N[C@@H](CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)c1cccs1	751303145	UMJRNYJFSBBDSY-INIZCTEOSA-N	405.483	3.664	10	20	HHCD	
O=C(Cc1cc(Cl)cc2c1OCC2)NCc1ccc(N2CCSCC2)cc1	755069679	VMIDCDUXLLXBSO-UHFFFAOYSA-N	402.947	3.687	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2ccccc2C(F)(F)F)cc1	755080407	ACQSHPVPJMBVQF-UHFFFAOYSA-N	421.463	3.940	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cc(F)ccc1O	756430831	LLUVQOOCAUXTCH-CVEARBPZSA-N	406.523	3.803	10	20	HHCD	
C[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)c(F)cc1O	756471567	UXMSFAGSFUFHOV-JTQLQIEISA-N	417.300	3.516	10	20	HHCD	
CCc1cc(N2CCC(N[C@H](C)c3cc(Br)c(F)cc3O)CC2)ncn1	756639496	ZODPZRQWGBMJBI-GFCCVEGCSA-N	423.330	3.966	10	20	HHCD	
C[C@@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)c(F)cc1O	756780204	WQDPGEMBGWJPPT-SNVBAGLBSA-N	403.292	3.811	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1Br	757043521	QIAWHTQNUJQWDC-UHFFFAOYSA-N	421.310	3.788	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2CSC)cc1F	759374095	HFUXJYGMBPVXIS-UHFFFAOYSA-N	403.523	3.790	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cccc(-n3cccn3)c2)SC1=S	760215458	HKOSHTVXDMHNOJ-SFQUDFHCSA-N	400.573	3.661	10	20	HHCD	
COc1ccc(-n2c(C)cc(CN(C)C(=S)NCC3CCN(C)CC3)c2C)cc1	760491872	QHUWEHXGOGOKOB-UHFFFAOYSA-N	414.619	3.751	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cncc(Br)c1	765318090	IAXYFSLSQLMTJE-UHFFFAOYSA-N	401.058	3.634	10	20	HHCD	
COC(=O)c1cc([N+](=O)[O-])c(N(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl	765455199	CATZZZBLLBTYPI-UHFFFAOYSA-N	419.865	3.508	10	20	HHCD	
COc1ccc(-n2nc(C(=O)NCc3cccc(Br)c3O)cc2C)cc1	765751111	ODLUGIFTKSXTHD-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H](NCc1ccc(N2CCOCC2)cc1)C1CCCC1	767741257	OBYYMNDAWTWNQW-NRFANRHFSA-N	403.567	3.696	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)/C(=C/c1ccccc1)NC(C)=O	769290232	IOBZQZVHZNZECN-WQRHYEAKSA-N	417.303	3.680	10	20	HHCD	
Cc1ccc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(C)n1	771374609	LLRBYCNPWWRGFL-GOSISDBHSA-N	420.536	3.805	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)c(C)n1-c1cccc(Cl)c1	773307590	MNFHBEHAPXWFJN-CQSZACIVSA-N	400.866	3.856	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(N(C)C)cc1	773613310	PSPCWCATELBBSR-KUHUBIRLSA-N	400.910	3.572	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(N(C)C)cc1	773847772	SURUFDKGPUGMLX-MRXNPFEDSA-N	417.513	3.632	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1O	774965064	WGWMWJNXWNLJSI-SFHVURJKSA-N	405.882	3.889	10	20	HHCD	
COc1ccc(O)c(CNc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c1	775749401	KKCAVQVMLPCWTF-OAHLLOKOSA-N	401.482	3.965	10	20	HHCD	
CCN(C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)CC(F)(F)F	776117986	XSZMZSNGTNUTEX-GOSISDBHSA-N	412.500	3.703	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](CCO)c1ccccc1Br)c1ccc(N(C)C)cc1	776243454	BUFDSSJIKCGTTC-AUUYWEPGSA-N	420.351	3.999	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)c1	776778987	SMIWKAFHDSWFMQ-UHFFFAOYSA-N	416.469	3.588	10	20	HHCD	
CCSc1cc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccn1	777469651	IJIVNHYDWCOPBN-MRXNPFEDSA-N	400.548	3.591	10	20	HHCD	
CC(C)(C)n1cc(C(=O)NCc2ccc(O)c(O)c2)c(-c2ccc(F)cc2F)n1	778924719	YHFGIJZIBPIOQV-UHFFFAOYSA-N	401.413	3.925	10	20	HHCD	
Cc1nc2cc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc2s1	781498911	CKHMPYLVHXJILL-INIZCTEOSA-N	423.542	3.628	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	782727033	BYZIQSJMUDQQLF-KRWDZBQOSA-N	409.456	3.823	10	20	HHCD	
Cc1cc(C(=O)Cn2ccc3ncncc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1	783083571	LWEXSPBJCSUNST-UHFFFAOYSA-N	424.407	3.683	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1-c1ccc(Cl)cc1	784029836	KAABMDXBUBEPDO-UHFFFAOYSA-N	412.877	3.609	10	20	HHCD	
Cc1nnc(-c2cccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)c2)o1	784107894	CAFAOFWRIPQGON-UHFFFAOYSA-N	419.485	3.789	10	20	HHCD	
Cc1oc2c(CN3C[C@H](C)O[C@@]4(CCOC4)C3)c(O)ccc2c(=O)c1-c1ccccc1	794705290	NXBZKDHTTKJIDX-LMKMVOKYSA-N	421.493	3.854	10	20	HHCD	
Cc1cc(Br)cc(CNc2ccc(C(=O)N3CCOCC3)cc2)c1O	798080522	XACYPSXPDDOPEN-UHFFFAOYSA-N	405.292	3.548	10	20	HHCD	
CCn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1	801917925	BVZGHUOOCOGPIM-UHFFFAOYSA-N	409.509	3.558	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O	808832749	RGVWEKHLUZTRAI-UHFFFAOYSA-N	407.470	3.842	10	20	HHCD	
COc1cccc(C2(CNC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)CC2)c1	812475815	BWZDHJRMNOABCB-OAQYLSRUSA-N	410.514	3.823	10	20	HHCD	
CCN(C)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)cc1	815114019	LWDCLIYDVRKKPQ-FQEVSTJZSA-N	413.566	3.670	10	20	HHCD	
O=C(C1CCC(OC[C@@H]2CCCO2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	815860614	TWPWWHWQBVNBCZ-QJWFJBDNSA-N	417.546	3.654	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c([N+](=O)[O-])c1	915222717	VCOFVWOFSNZQBA-UHFFFAOYSA-N	421.456	3.536	10	20	HHCD	
Cc1cc(-c2csc(-c3ccccn3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	916221896	GVWYBHCEAGEZMG-UHFFFAOYSA-N	410.524	3.927	10	20	HHCD	
Cc1cc(C)n(-c2cccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)n1	916684372	HOQYFQPBMRLQQG-UHFFFAOYSA-N	419.529	3.990	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3cccc(Cl)c3Cl)nc12	917014281	QLGLFWGGZOADSZ-UHFFFAOYSA-N	409.273	3.550	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(NC(=O)C(C)C)CC3)c2C)cc1F	917110528	XGCIIABMIBNVLZ-UHFFFAOYSA-N	413.537	3.961	10	20	HHCD	
CCc1ccc([C@@H](CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)N(C)C)cc1	918057481	ONTZNBMFTFAEIK-XMMPIXPASA-N	424.589	3.782	10	20	HHCD	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1	918199314	SZQFVVICDDBTKM-SFQUDFHCSA-N	419.549	3.895	10	20	HHCD	
Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)on1	918219898	QMZOTFMWEOSPFE-YRNRMSPPSA-N	416.497	3.782	10	20	HHCD	
CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	919471204	IHIHXIBZMDIYAI-HXUWFJFHSA-N	414.477	3.750	10	20	HHCD	
O=C(COc1cccc2ccccc12)NCc1ccc(N2CCC(CO)CC2)cc1	919968338	FFTYTLMSDZIHJN-UHFFFAOYSA-N	404.510	3.744	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(NC(=O)c2ccc(O)nc2)cc1	1337604525	NAOPHQJEQZWFFZ-UHFFFAOYSA-N	416.481	3.570	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCCN(C(=O)c2ccccc2)C1	1342289276	ONLSGGMZKQYEPR-INIZCTEOSA-N	422.312	3.803	10	20	HHCD	
COc1ccc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	55529808	YIDXYCYVSNGQNQ-CALCHBBNSA-N	400.494	3.697	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1C	71923783	QUAZUPHHGSJOFH-UHFFFAOYSA-N	416.437	3.904	10	20	HHCD	
CC(C)[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)n1nnc(-c2ccccc2)n1	116033890	OPZDJRKVVBCURO-QFIPXVFZSA-N	418.545	3.844	10	20	HHCD	
O=C(NC1CCN(C(=O)c2ccco2)CC1)N(Cc1ccco1)Cc1ccccc1O	726091168	HVSNBHMQWZSAQB-UHFFFAOYSA-N	423.469	3.595	10	20	HHCD	
Cc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH]c2c1C(=O)CCC2	726565470	PEJZLBDPCNQIHA-UHFFFAOYSA-N	417.456	3.842	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N(C)C[C@@H](C)c3ccccc3)CC2)cc1	727598716	MNBLXKAIODWCDQ-OAQYLSRUSA-N	424.589	3.652	10	20	HHCD	
O=C1/C(=C/c2cnn(Cc3ccccc3)c2)SC(=S)N1CCc1cccnc1	727864059	QTMPJZWPSHYLKL-ODLFYWEKSA-N	406.536	3.770	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(N4CCCC4=O)cc3)ccc21	728461262	VGKOLMODBDWPBZ-UHFFFAOYSA-N	419.525	3.961	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1	728938282	HKUAUEUVWLADFG-UHFFFAOYSA-N	405.502	3.892	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1	728944134	MVXPIBBHQYYARU-IERDGZPVSA-N	415.534	3.853	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3cc(F)ccc3F)cc2F)C[C@@H](C)O1	729497803	ZCMQTZNWABQOHU-OKILXGFUSA-N	407.436	3.717	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	730123510	RTRSJWNILYZRHD-OAHLLOKOSA-N	422.545	3.727	10	20	HHCD	
COCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)cc1	730593246	ISVJECBULRXXNE-WJDWOHSUSA-N	402.497	3.521	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)cc2)CC1	731120796	CRVYGMPIQQRZCV-IBGZPJMESA-N	416.566	3.732	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)CC2CCCC2)cc1	732115414	ZRAXOWUMXDUMEY-UHFFFAOYSA-N	423.557	3.991	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2ccc(Br)cn2)C1	733797910	DPSRMDJFEVRMHU-QGZVFWFLSA-N	410.743	3.957	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)cc1	734660159	LRPBMUBYBKHHNO-FQEVSTJZSA-N	404.505	3.913	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(CN2CCCCC2=O)c1	741064117	MCUWVWAXTGBCGB-UHFFFAOYSA-N	404.514	3.897	10	20	HHCD	
COC(=O)c1ccc2c(O)nc(CN(C)Cc3ccc(N4CCCCC4)cc3)nc2c1	741711378	KSGKLLDGWPFJOD-UHFFFAOYSA-N	420.513	3.744	10	20	HHCD	
Cc1nc(SCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sc1C	741855798	PUSFKXQFSVTTKK-CHWSQXEVSA-N	423.579	3.921	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(-c2cccc(C)c2)nn1	743808442	ULQILJGBRHUQFC-UHFFFAOYSA-N	415.291	3.706	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2ccc3[nH]ncc3c2)cc1)C1CCCCC1	743898367	CTCHMXKLVANNTK-UHFFFAOYSA-N	405.502	3.587	10	20	HHCD	
Cc1cc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c(C)n1-c1cccc(C(C)C)c1	744624038	BFJDLXIZITWVTM-UHFFFAOYSA-N	404.514	3.510	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Oc1ccc(F)cc1	745891890	HWAHEYPOHYFPCK-OXQOHEQNSA-N	402.466	3.689	10	20	HHCD	
Cc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Cl)cc1[N+](=O)[O-]	747210124	FVLUDPLSXMRFAN-HNNXBMFYSA-N	402.882	3.870	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1	749197318	BBQYXPBNQJEUAO-UHFFFAOYSA-N	402.583	3.711	10	20	HHCD	
Cc1cnc([C@@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	750275915	HGAPGGGLVOWYKA-VNHYZAJKSA-N	406.527	3.765	10	20	HHCD	
COc1ccc2c(c1)OC[C@H](C(=O)Nc1c(-c3ccccn3)nc3ccccn13)C2	751301395	AHZHMAXHHTZDGV-MRXNPFEDSA-N	400.438	3.595	10	20	HHCD	
CC(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	752005232	PDFPRKXAWQQYEX-WCIYBSDLSA-N	421.557	3.690	10	20	HHCD	
CCOC(=O)c1c(C)oc2ncnc(NCc3ccc(N4CCC(CO)CC4)cc3)c12	752631318	GJRAUBDSHPESSA-UHFFFAOYSA-N	424.501	3.529	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1	752989875	SDKMIEXYVQAWSA-UHFFFAOYSA-N	407.522	3.790	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cccc4c3COC4=O)n2)ccc1F	753978856	WLKAEUSQJADMAX-UHFFFAOYSA-N	404.444	3.729	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C)c3cc(Cl)ccc3O)CC2)cc1	756393152	PVOCVIPIJAKEJR-OAHLLOKOSA-N	408.951	3.858	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4c(F)cccc4C3)cc2F)C[C@@H](C)O1	757009398	CITCJZSDOACOIL-HZPDHXFCSA-N	415.484	3.846	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1nc(-c2cccc(Cl)c2)no1	759581436	RYWIQAJDICXRRR-UHFFFAOYSA-N	409.924	3.828	10	20	HHCD	
O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)N(Cc1ccccc1O)C1CCCCC1	764373170	FAKGBKDWHWUIDN-VXKWHMMOSA-N	415.578	3.880	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCOCC2)cc1	765331388	RWGVGYAUCKRASY-RBUKOAKNSA-N	413.537	3.911	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H]1CCCCN1C(=O)c1cccs1	765751229	BHDFMEJDFOUPEX-CQSZACIVSA-N	423.332	3.527	10	20	HHCD	
O=C(CCSc1ccc2c(c1)OCCO2)NCc1cccc(Br)c1O	765763476	BLDSBTWMVIBDTJ-UHFFFAOYSA-N	424.316	3.725	10	20	HHCD	
CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765979906	WPXHNOVMDFWYNX-MRXNPFEDSA-N	422.978	3.824	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCCc4sccc43)cc2F)CC1	768330626	NDERCFKOMILLHC-IBGZPJMESA-N	416.566	3.906	10	20	HHCD	
COC(=O)CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cc(Cl)ccc1O	769378566	DQJZUGBNDHOMRK-UHFFFAOYSA-N	403.841	3.546	10	20	HHCD	
Oc1nc(/C(Cl)=C\c2cccc3nccn23)nc2c1=CC(c1ccccc1)=S=2	769606917	FTZNIMIBMQTEPJ-LFIBNONCSA-N	404.882	3.566	10	20	HHCD	
O=C(Cc1ccccc1I)NCc1ccc(N2CCCC2)cc1	771253719	ZEDFEXBOYVLHRR-UHFFFAOYSA-N	420.294	3.750	10	20	HHCD	
CC[C@@H](C)[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F	772536286	GTONAVSVDUIWGC-PXAZEXFGSA-N	405.436	3.563	10	20	HHCD	
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	772701648	QJYWPLNZRWRUEE-UYAOXDASSA-N	409.548	3.589	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(Br)c1	773848390	WLFIIEFCHAUAOH-CYBMUJFWSA-N	404.308	3.639	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2cc(F)cc(F)c2)nc1-c1ccccc1	775209483	YCZNTDJZZRPMNP-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
CC(C)[C@H](CNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	775256440	XZKHPRXKOYXBTJ-YKSBVNFPSA-N	409.574	3.730	10	20	HHCD	
CCS(=O)(=O)c1c(Cl)cccc1CNC1CCN(c2ccc(OC)cc2)CC1	775307785	UHYKLWWAPWATHQ-UHFFFAOYSA-N	422.978	3.901	10	20	HHCD	
CC[C@@H](NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	775502737	YTYKMTBLWLCJBU-HZPDHXFCSA-N	402.366	3.682	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@@H]2COC3(CCOCC3)O2)cc1	777244908	HSQKPTSOSSRMMQ-LJQANCHMSA-N	424.501	3.820	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCOc2c(F)cccc21	778620405	LVDUZMCXSGJTPI-LJQANCHMSA-N	417.456	3.515	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1	778692052	WJZRGDSUFPUAAC-UHFFFAOYSA-N	421.400	3.604	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(CS(=O)(=O)c2ccccc2)c1	779518057	VNSWBFCDGATUJX-BENRWUELSA-N	409.463	3.724	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccsc3)cc2F)C[C@@H](C)O1	780397607	NYYORCRQHOZTEN-ZIAGYGMSSA-N	414.506	3.821	10	20	HHCD	
COc1ccc(SCCCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	780455611	WFZKLSVWNCZWBY-UHFFFAOYSA-N	400.544	3.721	10	20	HHCD	
CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCO1	781609794	VZZXPRMQCGLJQG-FOUBCARRSA-N	406.542	3.897	10	20	HHCD	
C[C@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1O	783507773	ADELQBCQCRJQJZ-KRWDZBQOSA-N	407.514	3.998	10	20	HHCD	
COC(=O)c1scc(C)c1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	785490900	HRBVNAXQSFJNOJ-UHFFFAOYSA-N	422.572	3.558	10	20	HHCD	
CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788930425	ALLOBJSFSYRNQM-UHFFFAOYSA-N	413.949	3.994	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H](Cc1ccccc1)N(C)C	789901371	IQSIUBSOACZMEN-DEOSSOPVSA-N	408.590	3.991	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3cc([C@@H]4CCCOC4)nn3C)cc2)CC1	790546765	NOPCVHPVKXHFLG-LJQANCHMSA-N	411.550	3.872	10	20	HHCD	
O=C(NC[C@@H]1CCC2(CCCCC2)O1)N(Cc1ccccc1O)C[C@@H]1CCCO1	790630085	JGJGDGWDWXZSPC-PMACEKPBSA-N	402.535	3.965	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(Br)c(F)cc2C)c1	790849662	ULDYUAYKVQVWSF-SNVBAGLBSA-N	418.284	3.650	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2nccnc2cc1F	791578308	JGDVQRSNJVUQJJ-UHFFFAOYSA-N	416.403	3.769	10	20	HHCD	
COC(=O)c1nc([C@H]2CCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2O)sc1C	793240418	LRFXAMDFLYUHIU-GFCCVEGCSA-N	411.867	3.842	10	20	HHCD	
COc1ccc(CNCc2c(F)ccc(I)c2F)c(O)c1	793385628	DGWKTNIUOKULOS-UHFFFAOYSA-N	405.182	3.573	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)Nc2ccnn2Cc2cccs2)cc1	800709511	HAAFVVUNIDAKGV-UHFFFAOYSA-N	411.575	3.910	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCNC(=O)c1ccc(C)c(F)c1	801976243	SDLIEDQFRZKXCE-UHFFFAOYSA-N	401.482	3.581	10	20	HHCD	
CCOC(=O)[C@H]1CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21	802302473	YQKQUVQGJYPEMF-UNMCSNQZSA-N	412.505	3.934	10	20	HHCD	
O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCc1c(O)ccc2c1CCCC2	802785081	IWLYAKHWYCMNTD-UHFFFAOYSA-N	421.946	3.795	10	20	HHCD	
CC(C)C[C@@H]1CCCCCN1C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	803306380	SXYMCBPLESJUQQ-KNQAVFIVSA-N	415.578	3.518	10	20	HHCD	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290355	VOOIUIHMUDWWJR-LJQANCHMSA-N	403.526	3.506	10	20	HHCD	
CC(C)OCc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807512850	LZADVEFFGBCIKE-UHFFFAOYSA-N	411.285	3.879	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(C4CCC4)c3)cc2)C1	812993547	RADCKXIMTHOEQJ-FQEVSTJZSA-N	406.530	3.978	10	20	HHCD	
COc1ccc(N2CCCN([C@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)CC2)cc1	815021138	CQALMBWYWVJNEH-JPYJTQIMSA-N	411.521	3.709	10	20	HHCD	
CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cc(Cl)c(F)cc1O	816542032	APEPOUPRKKPAQZ-UHFFFAOYSA-N	400.903	3.551	10	20	HHCD	
C[C@H](OCCc1ccccc1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857473044	RWAMKADHKSOACP-UWJYYQICSA-N	416.949	3.774	10	20	HHCD	
Cc1cc(=O)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1-c1ccccc1F	914505440	GCWDHRBELPAOKX-UHFFFAOYSA-N	422.504	3.797	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	915361566	JTNHKIFMBREPGK-UHFFFAOYSA-N	411.502	3.893	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C)cc1	918118385	QIYSUKQXHJRLNK-UNMCSNQZSA-N	408.546	3.647	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCCNC3CCCCC3)cc2F)C[C@@H](C)O1	918154541	BCNUAAFJXRBSQD-QZTJIDSGSA-N	420.573	3.551	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(OC)cc1	918187196	YELAOSIICYHXCU-QHCPKHFHSA-N	411.546	3.854	10	20	HHCD	
C[C@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)o1	920179893	DWZUKGMOBYVENS-FXAWDEMLSA-N	421.520	3.949	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1	920343734	DQDFGNQSJJZRJD-OKILXGFUSA-N	407.436	3.717	10	20	HHCD	
O=C(NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1)c1cc(O)nc(O)c1	1787626343	UCFYLOCAFGCYJH-UHFFFAOYSA-N	409.486	3.821	10	20	HHCD	
Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)c1	1799652672	UIQLZYLRBUJIKF-BJWYYQGGSA-N	414.889	3.625	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3cccc(NC(C)=O)c3)CC2)cc1	110469330	JNCAPIJHAWOXBT-INIZCTEOSA-N	410.518	3.683	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O	303183507	UYAKMTSFFPXZNZ-UHFFFAOYSA-N	418.449	3.834	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(CCCN3CCOCC3)CC2)n(C)c2ccccc12	472228016	CCFSWVYQKUXLIY-UHFFFAOYSA-N	412.578	3.521	10	20	HHCD	
Cc1cc(C(=O)Nc2c(C)cnn2-c2ccccc2)ccc1NC(=O)C1=S=CC=C1	536297145	RAZRBWWPGUHRGI-UHFFFAOYSA-N	416.506	3.958	10	20	HHCD	
COCCn1c(C)cc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c1C	726196851	DQVOUPGAJVXNIT-AQTBWJFISA-N	401.557	3.590	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cc1	726801428	IPGUXUNDCTXFCF-CPNJWEJPSA-N	413.520	3.910	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c(O)c1O	727004268	QPKPCXQSGGHOJP-IBGZPJMESA-N	401.434	3.750	10	20	HHCD	
COc1ccc(N(CC2=Nc3ccccc3S(=O)(=O)N2)Cc2cccs2)cc1	727139615	IYPFPESDVLSWDX-UHFFFAOYSA-N	413.524	3.785	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c2c(c1)C[C@H](C)O2	727861242	QFVXHODKLKHVDW-NWRYFCBHSA-N	420.600	3.808	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	728024666	VVRXFAYGOOFUIT-FMDURADSSA-N	401.576	3.551	10	20	HHCD	
CN(C)c1ccc(CN(CN2C(=O)CC3(CCCCC3)C2=O)CC(F)(F)F)cc1	728904416	PUFWWQJUAFYJJF-UHFFFAOYSA-N	411.468	3.784	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3csc(C(C)(C)C)n3)cc2F)CC1	730193128	WKFBOXQWZLDYQQ-UHFFFAOYSA-N	404.555	3.652	10	20	HHCD	
COc1cc(Cl)ccc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	730913261	FDNAIPNBYINCDO-SFHVURJKSA-N	404.894	3.945	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1	742391482	JTUMNWVZXBKHRT-NTKDMRAZSA-N	417.557	3.730	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	743551632	GQJFTAIFHLXYOU-UHFFFAOYSA-N	424.501	3.948	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1	743666996	SISDPJLORVPAQK-MJGOQNOKSA-N	404.555	3.635	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)N[C@H](C)c3cc(OC)ccc3O)n2)c1	743706361	ZMULQHHNQAFGAL-OLZOCXBDSA-N	412.446	3.581	10	20	HHCD	
COc1ccc(N(CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)CC(C)C)cc1	746170065	LYJQQDZZKIFQLS-UHFFFAOYSA-N	417.594	3.559	10	20	HHCD	
O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	748529906	FJHUXOOZJZSYPJ-HXUWFJFHSA-N	418.497	3.876	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC(=O)N(C)C1CCCCC1	748666822	QNXGQWTWYSSODE-UHFFFAOYSA-N	400.567	3.609	10	20	HHCD	
COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc(C)n(-c2ccccn2)c1C	748735130	ADXICOABPJWVRX-UHFFFAOYSA-N	411.889	3.958	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3c(F)cccc3Br)CC2)cc1	749369916	DOEZMODTQMVQTK-UHFFFAOYSA-N	407.283	3.996	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H](c4ncc[nH]4)C3)c2C)cc1	749844760	MWLQZIMOAKNUMO-IBGZPJMESA-N	420.513	3.666	10	20	HHCD	
Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1C(=O)N(C)C	751555709	OTTKFWIHJLNSCQ-LJQANCHMSA-N	411.502	3.616	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1F	753737145	AGRMGOLSOGUWKO-UHFFFAOYSA-N	414.868	3.840	10	20	HHCD	
COc1ccc([C@H](CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)N2CCOCC2)cc1	756352087	QAJZOGAGGMJXGN-YSSFQJQWSA-N	400.494	3.751	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3cc(C)ccc3O)CC2)cc1	756496836	RMGBPTLNFRHDKZ-KRWDZBQOSA-N	402.560	3.814	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@H]1CCCN(Cc2ccccc2)C1	759575047	NVNZFIVBJMOKNE-GOSISDBHSA-N	404.605	3.837	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H](C)c3ccc(C)s3)CC2)cc(OC)c1OC	760096346	REQUARPWXCCTBO-HNNXBMFYSA-N	419.547	3.675	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc(Br)sc1C1CC1	764580515	YIRMTSMBCIVNDZ-UHFFFAOYSA-N	408.321	3.888	10	20	HHCD	
C[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(N2CCCCC2)c(F)c1	764989126	SYNWTOMWALVHGY-IBGZPJMESA-N	411.569	3.814	10	20	HHCD	
C[C@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)cc1Cl	766031020	ICMXVSLJPGANAF-FUHWJXTLSA-N	413.949	3.912	10	20	HHCD	
COc1ccc(-c2ncc(C(=O)NCc3ccc(N(C)C)c(F)c3)s2)cc1OC	766547079	BZKHBWPUUYUNDQ-UHFFFAOYSA-N	415.490	3.962	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)cc1Br	768343035	WKUNGRAQMVRHRW-UHFFFAOYSA-N	421.310	3.972	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)c1	768911201	PRSVWUXQVKUUJE-DLBZAZTESA-N	411.502	3.831	10	20	HHCD	
O=C(Cc1cccc(F)c1)N1CCCN(Cc2cc(Br)ccc2O)CC1	769135448	QEMICWXQGBIXLB-UHFFFAOYSA-N	421.310	3.571	10	20	HHCD	
C[C@H](Oc1cccc2ccccc12)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	769354126	JFTYNZKSMIDZDZ-SFHVURJKSA-N	420.509	3.875	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cnn1-c1ccc(OC)cc1	771167666	MZEDCVWONYGKDV-UHFFFAOYSA-N	404.514	3.974	10	20	HHCD	
C[C@H](NC(=O)c1cc(I)ccc1F)c1ccc(N(C)C)cc1	773022617	HPQXJAIYZKMNKF-NSHDSACASA-N	412.246	3.987	10	20	HHCD	
C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	773132102	TZWAMQSITKRAOP-HNAYVOBHSA-N	407.530	3.616	10	20	HHCD	
Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	773244357	KRALOMVLYKXTBZ-UHFFFAOYSA-N	418.497	3.846	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1)c1ccc(N(C)C)cc1	773854181	ASSMMTSEMIZHCM-HNNXBMFYSA-N	421.526	3.510	10	20	HHCD	
C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1	775257744	MZLDPDPLUTZUGX-IRXDYDNUSA-N	417.500	3.672	10	20	HHCD	
C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(N2CCOCC2)cc1Cl	776818843	HCMKYAHPPJQOKV-INIZCTEOSA-N	417.937	3.817	10	20	HHCD	
CC(=O)Nc1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2Br)cc1	777473926	NLTHDLZCNNPYGR-UHFFFAOYSA-N	424.280	3.629	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@@]4(C3)C(=O)Nc3ccccc34)cc2)CC1	777511532	YEZLQYJVKRWHDB-VWLOTQADSA-N	418.541	3.728	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3F)SC2=S)c1	777869790	OBEWNGGSVMZOCU-AUWJEWJLSA-N	404.400	3.838	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)CC2)cc1	780767508	WMFHVDYRQGUGRS-QFIPXVFZSA-N	421.501	3.685	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1noc2c1CCCCC2	780814119	LTCAMVXPXILQCU-AWEZNQCLSA-N	405.445	3.944	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@H]1CCC=CO1	781491281	XDFIXJNSIGXJBV-WDGDVPDHSA-N	408.570	3.538	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCN(c4ccccc4)C3)CC2)cc1	788957270	KDWHIHGCQNHWAH-FQEVSTJZSA-N	422.573	3.880	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3nc([C@H]4C[C@H]5CC[C@H]4C5)cs3)ccc21	789430580	BCQOTYIIXGLPSC-ZVZYQTTQSA-N	424.570	3.684	10	20	HHCD	
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	789430987	OPIYYKSUUQISHT-UHFFFAOYSA-N	412.490	3.742	10	20	HHCD	
Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(OC[C@H]2CCCO2)c1	789837376	TZECCPVNCZOJJJ-DOTOQJQBSA-N	400.475	3.717	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H]1CCC2(CCCCC2)O1	790231255	MINRPFJELLRVDH-JOCHJYFZSA-N	415.578	3.576	10	20	HHCD	
O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@H]1c1ccc(Br)cc1	793383886	ISWJGWROYWXIFJ-HNNXBMFYSA-N	413.674	3.620	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1	796433165	WOXQIHJHQMMCTH-HXUWFJFHSA-N	424.372	3.731	10	20	HHCD	
C[C@@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1O	797998338	AKJGPKXZXQDERZ-LLVKDONJSA-N	421.321	3.809	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c(O)c1	801299943	MVXIHFUHGKIKKA-UHFFFAOYSA-N	420.181	3.992	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC1CC(C)(c2ccccc2)C1	804971743	MPGMNVCAVSPSQM-UHFFFAOYSA-N	419.569	3.872	10	20	HHCD	
CC[C@H](N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1cc(Cl)ccc1O	806169513	GUFCBUUQOUPYTA-RBUKOAKNSA-N	418.921	3.905	10	20	HHCD	
CCOC(=O)C(C)(C)c1csc(NC(=O)NCc2c(O)ccc3c2CCCC3)n1	806821302	LOQBFLHYPYYQPF-UHFFFAOYSA-N	417.531	3.890	10	20	HHCD	
CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1	807385544	MPCOZMCVGNFUSE-LBPRGKRZSA-N	421.291	3.587	10	20	HHCD	
CC(C)CC1(C)CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1	812011131	WVGWEUSGXGSDAQ-FQEVSTJZSA-N	414.594	3.746	10	20	HHCD	
CCOC(=O)c1ccc(N2CCCN(Cc3ccc4ccccc4c3O)CC2)nc1	816498378	SFEBJSDQBUBESC-UHFFFAOYSA-N	405.498	3.829	10	20	HHCD	
COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c1	819426872	BRXVXHAQEXQXLJ-UHFFFAOYSA-N	405.516	3.933	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C3(c4ccc(Br)cc4)CC3)CC2)cc1	861633652	SCXJAAIGMQTBAT-UHFFFAOYSA-N	415.331	3.838	10	20	HHCD	
COC(=O)[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc2O1	913267517	CKPBORLUTQGZCM-OAQYLSRUSA-N	408.429	3.814	10	20	HHCD	
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1	914506012	VQTAPQKTGTYWQV-MRXNPFEDSA-N	418.563	3.546	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(Cl)cc2cccnc12	915778551	LDUOSTHSSLQDGB-UHFFFAOYSA-N	408.889	3.743	10	20	HHCD	
O=C(NCc1ccc(Cn2cccn2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916222995	TUKKADPETCNTQF-QFIPXVFZSA-N	420.513	3.528	10	20	HHCD	
O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC=C(c2c[nH]c3ncccc23)CC1	917037664	GRAADLSRUXIGLM-UHFFFAOYSA-N	403.442	3.657	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)cc3)cc2)C1	917596024	MBMKBFFWSRITMP-HNNXBMFYSA-N	402.951	3.528	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccc(Br)o1)c1ccc(N2CCOCC2)cc1	920921376	DFXZKGNEYWSDRA-AWEZNQCLSA-N	422.323	3.781	10	20	HHCD	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1	1251136982	JNWQVVFVAPJROQ-UHFFFAOYSA-N	420.550	3.747	10	20	HHCD	
CN1CCN(c2ccc(CN(Cc3ccc(F)cc3)C3CCOCC3)cc2F)CC1	1320866091	DNIZTVFMUNOZSZ-UHFFFAOYSA-N	415.528	3.898	10	20	HHCD	
CN1CCN(c2ccc(CN3CC=C(c4c[nH]c5ncccc45)CC3)cc2F)CC1	1336943781	QZBADEXXSVBMHW-UHFFFAOYSA-N	405.521	3.743	10	20	HHCD	
C/C=C(\C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1821892297	FRGZSZJGHMDWIJ-ZXDCMVLGSA-N	418.881	3.746	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	35638383	GHIVZCZJRULAIJ-FMIVXFBMSA-N	400.319	3.604	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c2c(C(C)C)noc2n1	195693720	IWMMPCNAAIOYOW-UHFFFAOYSA-N	408.502	3.763	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Br	327097981	WYGYUJBSZGMWBO-UHFFFAOYSA-N	403.320	3.866	10	20	HHCD	
Cc1c(CNC(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)n(C)c2ccccc12	578806629	JKGJKSUUCKIHIA-UHFFFAOYSA-N	416.428	3.551	10	20	HHCD	
CCn1c(C)nnc1SCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	726432636	RSMRZSIAZBXNJP-UHFFFAOYSA-N	412.515	3.760	10	20	HHCD	
CN(C)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F	726565343	CUYJAWIAYOLMGO-UHFFFAOYSA-N	407.436	3.892	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2c(c1)CCC2	726603809	PSDHZHXLFCGBGV-UHFFFAOYSA-N	422.497	3.724	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c2c(c1)C[C@@H](C)O2	727861071	PDZNOOXPHJABNM-RNEAKCBISA-N	412.536	3.858	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)ccc21	728636787	AADPKUBWZKXIEY-SFHVURJKSA-N	400.519	3.708	10	20	HHCD	
CNC(=O)C1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)CC1	730042874	PDTVRWSFWQGJCM-UHFFFAOYSA-N	410.514	3.644	10	20	HHCD	
COc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2=O)cc1	731016090	MMIHADDVWYQYBW-HXUWFJFHSA-N	421.541	3.601	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H](CC(=O)N(C)C)c3ccccc3)cc2)CC1	731120336	VNZUJUZHFCRQJF-QHCPKHFHSA-N	422.573	3.942	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1	732283506	LMNWMPXUUHHXEB-UHFFFAOYSA-N	412.511	3.792	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)c1	734065024	RSJAZCFQHWVAMN-ROUUACIJSA-N	411.546	3.878	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1	734405896	MDPNWHADGVCABI-UHFFFAOYSA-N	415.484	3.508	10	20	HHCD	
O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1	738240169	BCTNOODHOHGUCE-UHFFFAOYSA-N	406.841	3.764	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)n2)cc1	741136929	MHHAYGIJHXJXGA-UHFFFAOYSA-N	415.496	3.876	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccc(O)cc1)CC1CC1)c1ccc(N2CCOCC2)cc1	745779165	MZQSMAUUVDEKRP-GOSISDBHSA-N	409.530	3.912	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCN2CCN(c3ccccc3)CC2)cc1	746105144	NVHYGPZFWXWSSZ-UHFFFAOYSA-N	408.590	3.704	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1C	746283606	QKWWYRHQLIRKPK-KRWDZBQOSA-N	407.436	3.686	10	20	HHCD	
Cc1cc(C(=O)N(C)C[C@@H](O)COCCOC(C)C)c(C)n1-c1cccc(Cl)c1	747419584	LYTKAOCUDSJDPK-HXUWFJFHSA-N	422.953	3.622	10	20	HHCD	
Cc1cc(C(=O)Cn2c(=O)oc3cccnc32)c(C)n1-c1ccc(OC(F)F)cc1	747862770	PQNUUDUEAUAGPF-UHFFFAOYSA-N	413.380	3.881	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc1	748467016	PVFKLYFWEORHJC-UHFFFAOYSA-N	409.530	3.967	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC[C@@H]1C[C@H]3CC[C@H]1C3)c2[N+](=O)[O-]	751160101	VUSVSPJDWJQZJJ-IHRRRGAJSA-N	404.422	3.536	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	752237187	CCMMVPLDHCFPIM-LDADJPATSA-N	411.439	3.690	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@@H](OC)C2)sc(C)c1-c1ccccc1	752321209	GOVXIPZPTHQECC-MRXNPFEDSA-N	402.516	3.559	10	20	HHCD	
Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1	753548729	MXMHEYAOHYTMGC-NFBKMPQASA-N	407.514	3.650	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2cncc(Cl)c2)nc1-c1ccccc1	754695313	XDLMFKBYYVAUPP-UHFFFAOYSA-N	423.903	3.836	10	20	HHCD	
CC(=O)N1CC[C@@H](CN(C)C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	754858334	MEEPCDHTKLQERR-SFHVURJKSA-N	401.938	3.617	10	20	HHCD	
O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755359491	WCIRDRCHYARTSE-MRXNPFEDSA-N	419.428	3.914	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1	756831874	BFDKFLAYRFTROH-JPYJTQIMSA-N	404.510	3.979	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3Br)cc2F)C[C@H](C)O1	758176326	BZBAUHCZHCMYPH-STQMWFEESA-N	422.298	3.527	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2F)C[C@@H](C)O1	758339107	QQCLSHJPXDNPCG-CHWSQXEVSA-N	420.416	3.808	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)NCCCSc1nccs1)c1ccccc1F	759555059	VATPPIKMGFLEHE-HNNXBMFYSA-N	405.524	3.587	10	20	HHCD	
O=C(NCCCSc1nccs1)NC1CCN(Cc2ccc(F)cc2)CC1	759569412	OWHWPJRYJBCFMH-UHFFFAOYSA-N	408.568	3.728	10	20	HHCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(N2CCCCC2)cc1	759597355	YEVKCIAZWQYNDE-JCSUNJAGSA-N	410.470	3.672	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)c1	760134324	ZEANWPJVUDTCEC-ORBZYBPHSA-N	420.868	3.590	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)c2c1	760430434	ZXQJDYKRMURNBN-YCRPNKLZSA-N	416.518	3.668	10	20	HHCD	
NC(=O)[C@H](Cc1ccc(Cl)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	760580643	SCLXNDXRLYOAAE-LPHOPBHVSA-N	423.891	3.596	10	20	HHCD	
C[C@H](NC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1	761240455	RUAOXDZEPZAXRV-HNNXBMFYSA-N	415.921	3.939	10	20	HHCD	
COc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1NC(=O)OC(C)(C)C	761628871	XDVQMTLDFWEXEW-UHFFFAOYSA-N	417.462	3.818	10	20	HHCD	
C[C@@H]1N(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCOC1(C)C	763702955	XZACRORVCSJMDB-FRRXJZEGSA-N	424.613	3.755	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3cc(OC)ccc3OC)CC2)cc1	764676919	VPQCVYUIAURCNJ-IBGZPJMESA-N	413.562	3.575	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NC3CCN(Cc4ccncc4)CC3)C2)cc1	766236049	CEDPPMYEMOQFGJ-HXUWFJFHSA-N	416.516	3.906	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC(C(=O)NCCOC)CC2)cc1	768238668	SNOGMNXBFFVSHT-UHFFFAOYSA-N	409.574	3.688	10	20	HHCD	
Cc1csc(N2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)n1	768303963	VNZSAUQGEGLKGL-UHFFFAOYSA-N	401.536	3.672	10	20	HHCD	
C[C@@H](OC(=O)c1ccoc1Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	768961044	ZYCFSWIQMSHRCO-LLVKDONJSA-N	423.808	3.892	10	20	HHCD	
CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	770757064	YDAQGFKXJZVOPC-UHFFFAOYSA-N	424.541	3.781	10	20	HHCD	
COC(=O)Nc1ccc(CCN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	773008116	UAGYGYHFRSQMMD-MRXNPFEDSA-N	401.482	3.734	10	20	HHCD	
CC[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1	774874739	MIMRUSCHNPKDIS-FQEVSTJZSA-N	419.928	3.673	10	20	HHCD	
C[C@H](NC(=O)COc1ccc(C=O)cc1Br)c1ccc(N(C)C)cc1	775411607	QWDQKBZINWFNKP-ZDUSSCGKSA-N	405.292	3.584	10	20	HHCD	
Cn1cc(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)c(-c2cccnc2)n1	780779337	YGFBWYHQWAVGAI-IBGZPJMESA-N	401.514	3.598	10	20	HHCD	
CCC1(CC)Oc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2O1	787873288	FCQGSVAXSGSUMH-UHFFFAOYSA-N	411.502	3.637	10	20	HHCD	
Cn1nccc1COCC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	792502168	DDINIHJBAFUPLU-UHFFFAOYSA-N	407.430	3.534	10	20	HHCD	
COc1ccc(CNC(=O)NCC2(c3ccccc3Br)CC2)c(O)c1	792956357	HNRMLWUEWVGLAQ-UHFFFAOYSA-N	405.292	3.694	10	20	HHCD	
CN(C)c1ccc(CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c(C(F)(F)F)c1	793020208	AJQBRUMXFMDFIA-CQSZACIVSA-N	423.443	3.817	10	20	HHCD	
CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(N2CCCCC2)cc1	795156428	NUWUOHXNRNCILO-UHFFFAOYSA-N	408.502	3.606	10	20	HHCD	
C/C(=C\Cl)CSCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	797809755	LENBIXOBEUFUMC-XWWZYGQCSA-N	400.947	3.931	10	20	HHCD	
CC(C)[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1nncn1C	807431669	HWXZJUDUVLHUJO-HXUWFJFHSA-N	410.522	3.583	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1n[nH]c(C2CC2)c1Br	807837379	NRTYIJORQNRDGL-UHFFFAOYSA-N	405.079	3.992	10	20	HHCD	
C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC(F)(F)[C@H](C)C1	810044822	QFFSPUHWXNYQFC-ZIAGYGMSSA-N	412.436	3.766	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccc(C(C)(F)F)cc3)CC2)cc1F	814464470	VBUKCRCGSWXGCD-UHFFFAOYSA-N	407.436	3.978	10	20	HHCD	
CCOC(=O)c1c(NC(=O)c2ccn(C)c(=O)c2)sc(C)c1-c1ccc(F)cc1	912905764	GXQICZWDNPWSLA-UHFFFAOYSA-N	414.458	3.990	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1C	918102456	VHILCZTUSQBBSB-UHFFFAOYSA-N	402.498	3.591	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(Cc3ccncc3)CC2)cc1	918226033	AAPICUUEWOXGMS-UHFFFAOYSA-N	409.578	3.734	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sc2cc(F)ccc2c1C	1326069979	CGRKNTKLNGCMQT-HNNXBMFYSA-N	417.458	3.664	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c2C)cc1	27142514	VJSSJSPVHYCXOS-UHFFFAOYSA-N	416.481	3.611	10	20	HHCD	
C[C@H](NC(=O)c1cc2sc(N(C)C)nc2s1)c1ccc(N2CCOCC2)cc1	65599391	FFZYHUVOFIDOLE-ZDUSSCGKSA-N	416.572	3.751	10	20	HHCD	
COc1ccccc1N1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1=O	105052788	QBXVZFHYYBEJDB-FQEVSTJZSA-N	421.541	3.697	10	20	HHCD	
Cc1c(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)n(C)c2ccccc12	472035761	UXFAGQCLORWMOF-SFHVURJKSA-N	405.546	3.907	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)n(C)c2ccccc12	565737783	OJIRXYQVBGGDDJ-OAQYLSRUSA-N	413.468	3.895	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3(c4ccccc4C)CCOCC3)CC2)cc1	726562036	DCUVTZCHXCYQAR-UHFFFAOYSA-N	408.542	3.837	10	20	HHCD	
C/C(=C\C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1Cl	727308339	KVLJABTURNNPHS-IYICPGQYSA-N	411.933	3.761	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C(C)(C)c3ccccc3OC)cc2F)CC1	730193156	XQXIIRHCETWMJW-UHFFFAOYSA-N	413.537	3.570	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3scnc3c2)cc1F	731408426	KKSOVRWUTGTIRM-UHFFFAOYSA-N	400.479	3.537	10	20	HHCD	
CCc1nc2cc(NC(=O)C(=O)N(C)Cc3ccc(N(CC)CC)cc3)ccc2o1	737116283	AJAFMYZQSRHMIW-UHFFFAOYSA-N	408.502	3.834	10	20	HHCD	
COc1cccc([C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N2CCCC2)c1	741074844	RDVKOHZCGVTJGV-DEOSSOPVSA-N	420.557	3.708	10	20	HHCD	
CN(C)c1ccc(CN(c2nc(O)c3cnn(-c4ccccc4)c3n2)C2CC2)cc1	742395303	ONLQYONSXRNZJF-UHFFFAOYSA-N	400.486	3.756	10	20	HHCD	
O=C(CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F	743636540	BGJQSAHXMMEIAM-UHFFFAOYSA-N	422.407	3.731	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3nc[nH]c3c2)NC(=O)OC(C)(C)C)cc1	743725367	RDPFANGNCZAMFO-HXUWFJFHSA-N	423.517	3.625	10	20	HHCD	
C[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccc(N2CCOCC2)cc1	746169306	YQUPXANZXKQUFK-HYBUGGRVSA-N	407.558	3.755	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c(O)cc(Cl)cc1Cl	748024561	QQEVPRVFVLYKQX-UHFFFAOYSA-N	413.276	3.729	10	20	HHCD	
COCCOc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCSCC2)cc1	748698099	JDBUKXCWCOYPFD-UHFFFAOYSA-N	420.962	3.848	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c(C)n1-c1ccccn1	752506555	FDHNXQHEAATXKS-INIZCTEOSA-N	401.470	3.954	10	20	HHCD	
COc1ccc(N2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1F	753861186	NXBBCJDJILGUTD-UHFFFAOYSA-N	402.857	3.860	10	20	HHCD	
Cc1nc2ccccn2c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F	754325814	DHLQFPDGHPBNAV-UHFFFAOYSA-N	404.436	3.788	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)C(C)(C)CN(C)C	754376736	DYCDOSMLKRNJJN-ZDUSSCGKSA-N	400.361	3.663	10	20	HHCD	
C[C@H](NCc1ccc(-n2cncn2)nc1)c1cc(Br)cc(Cl)c1O	756432804	UJHDDZFAOFSFKY-JTQLQIEISA-N	408.687	3.635	10	20	HHCD	
C[C@H](NCc1cccc(OCCN(C)C2CCOCC2)c1)c1cc(F)ccc1O	756539509	OZKOIIWAOXHCSU-KRWDZBQOSA-N	402.510	3.872	10	20	HHCD	
COc1ccc(N[C@H](C)c2ccc(Br)cc2O)cc1-n1nnnc1C	757588751	BTYLUHNKFFFZDN-SNVBAGLBSA-N	404.268	3.621	10	20	HHCD	
O=C(N[C@@H]1COc2c(Cl)cccc21)N(Cc1ccccc1O)C[C@H]1CCCO1	757813526	GTZUWKSVOOHQRN-CRAIPNDOSA-N	402.878	3.870	10	20	HHCD	
CCCCn1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1CC	760454882	MQJGQMWIKPVKRY-GOSISDBHSA-N	418.969	3.999	10	20	HHCD	
C[C@@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1	760661021	APVFLIMLTRYZLL-GOSISDBHSA-N	403.567	3.821	10	20	HHCD	
COc1cc(Cl)cc(CN(C)CC(=O)Nc2ccccc2Br)c1O	761182311	BDRPTOUXSALHDD-UHFFFAOYSA-N	413.699	3.887	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCSCc2nc(O)c3ccccc3n2)c1	761974085	STSJLEBEBJMUQE-CYBMUJFWSA-N	413.499	3.550	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(Cl)c1F	763537549	GWLHZNAMBVNWMM-LJQANCHMSA-N	410.942	3.955	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3c(C)cccc3F)CC2)cc(OC)c1OC	764681566	CHZXQLCCHBTXNX-UHFFFAOYSA-N	403.454	3.514	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2cccc(Br)c2O)c(F)cc1F	765235875	YBSPMLHIUVBRSN-UHFFFAOYSA-N	415.190	3.541	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1	765265414	IUHHDAAOCRSYRC-KRWDZBQOSA-N	419.566	3.716	10	20	HHCD	
COc1ccccc1S(=O)(=O)CCCN(Cc1ccco1)Cc1ccccc1O	766814292	MEVIKUDUVARVEH-UHFFFAOYSA-N	415.511	3.860	10	20	HHCD	
Cc1nc(-c2ccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)cc2)n[nH]1	767930174	BAGYXDALFJEXOM-UHFFFAOYSA-N	404.518	3.563	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCCN(c3nccs3)CC2)ccc1N1CCCCC1	769106882	QQVDPZBQQMHYTN-UHFFFAOYSA-N	401.536	3.754	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCOC2(CCC2)C1	769128664	WHBRGJFWQOWGRO-HZPDHXFCSA-N	409.477	3.658	10	20	HHCD	
CCOC(=O)c1ccc(N2CCCN(Cc3ccc(N4CCCCC4)cc3)CC2)nc1	769165806	UMWOCJPJCIQIMK-UHFFFAOYSA-N	422.573	3.961	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCOC3(CCOCC3)CC2)cc1)C1CCCCC1	769495427	QOUQDUKVTRGDPD-UHFFFAOYSA-N	415.578	3.937	10	20	HHCD	
COCCN(C)CCCC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	773621470	AEKGHQLLWLOIHT-LJQANCHMSA-N	404.599	3.594	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)cc1	774133450	GUJIDYJZMWDUDL-NSHDSACASA-N	403.331	3.599	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccc(Cl)cc3)[C@H]3C[C@@H]3C)nc12	776026997	WORVAKXUZZBZHB-XGINMYPSSA-N	414.893	3.752	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)n2)c(C)o1	776082984	LVQJZIIQZMVWFS-UHFFFAOYSA-N	423.907	3.825	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1	778727417	PWZDLGGPZSNLEJ-QWHCGFSZSA-N	407.873	3.832	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3ncn(C)n3)cc2)cc1	779916948	XETBTDSBHNUYJY-UHFFFAOYSA-N	417.435	3.753	10	20	HHCD	
C[C@H](NC(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccc(N2CCOCC2)cc1	782249257	HKFGDVLTGVDNMG-INIZCTEOSA-N	408.477	3.554	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1F	782656877	VOVHYYMDWSKKAN-CVEARBPZSA-N	408.518	3.527	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnn1C1CCCCC1	783316820	NNRVYOMRGDFEKO-UHFFFAOYSA-N	411.550	3.830	10	20	HHCD	
Cc1cc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)sc1Cl	788896293	NHHONGZUFFFEGT-CQSZACIVSA-N	401.937	3.785	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CCCn3ccccc3=O)cc2Cl)C1	800048686	AOCYLTGEQRTIPT-KRWDZBQOSA-N	401.938	3.835	10	20	HHCD	
CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1	800724859	HHGHDMROEPBDDH-IBGZPJMESA-N	420.561	3.632	10	20	HHCD	
CCc1oc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1C(=O)OC	800792660	GFMNDIBXNZFAGL-PXNMLYILSA-N	417.464	3.763	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(Br)c(OC(F)(F)F)c1	801173305	NSWBTVSTYMVHSM-UHFFFAOYSA-N	420.181	3.731	10	20	HHCD	
CCCN1C(=O)N(Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C(=O)[C@H]1COC	804187935	HQKYFSDZCCGZFP-DNVCBOLYSA-N	407.942	3.766	10	20	HHCD	
CCCCCC(C)(C)CNC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	804317008	QCDHKNWJXHVOET-UHFFFAOYSA-N	403.567	3.503	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Br)o1	805134761	IJSYDVRCMQHBFN-UHFFFAOYSA-N	401.065	3.533	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccnc4c3ncn4C)c2C)cc1	805673696	DRCGFIKVPOTCHD-UHFFFAOYSA-N	402.454	3.724	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CCCC(C)(C)C2)cc1	806756370	IYTKQJBZPRBAGO-IBGZPJMESA-N	411.546	3.959	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1	807269957	MJTYZBAAINYMQH-KRWDZBQOSA-N	417.575	3.839	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(OC(C)(C)C)c1	807674262	JGUOCPQQSNHJEJ-KRWDZBQOSA-N	411.546	3.732	10	20	HHCD	
CC(C)c1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)n(-c2ccccc2)n1	810351392	LWQAEHZWTSRERO-UHFFFAOYSA-N	419.529	3.659	10	20	HHCD	
CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccccc1O	812201384	RNPBIIXNJUINJP-UHFFFAOYSA-N	411.462	3.622	10	20	HHCD	
Cc1ccc(CN2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CC2=O)cc1	914505912	FDVRFTMGRSFAAP-QFIPXVFZSA-N	407.558	3.847	10	20	HHCD	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2	914577297	OEERAFNRKZEBFP-UHFFFAOYSA-N	403.441	3.720	10	20	HHCD	
COc1ccc(CN2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1F	914847059	MSWXJWMETQLGGO-UHFFFAOYSA-N	422.504	3.595	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1	915222388	CPTFIZWZAAJDQS-UHFFFAOYSA-N	421.456	3.536	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CCCCC1	917056911	CCHMXTHOYFPJJO-HDICACEKSA-N	405.558	3.710	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CSc3ncccc3Cl)cc2F)C[C@@H](C)O1	917204421	YEWIHSSAAMAYDY-ZIAGYGMSSA-N	423.941	3.896	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=S)NCCc3ccccc3)cc2F)C[C@@H](C)O1	917580570	BOXDBUCQVXQIMM-IAGOWNOFSA-N	401.551	3.646	10	20	HHCD	
Cc1ccccc1OCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	918128730	WQLYBATYSSKZMR-ROUUACIJSA-N	415.509	3.626	10	20	HHCD	
CCOc1ccc(CN(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	918219000	BETUBCCJXYYMEC-UHFFFAOYSA-N	415.509	3.527	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(N(C)C)nc2)cc1	919656761	KQVCYSIXBRIOKC-UHFFFAOYSA-N	407.518	3.719	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(OCCc4ccccc4)CC3)cc2F)CC1	1324731849	ZBWAZTIXJSMGOR-UHFFFAOYSA-N	411.565	3.801	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCCO2)C3)cc1	1800515796	WXINEOLALODZCF-MALNDZBISA-N	421.541	3.525	10	20	HHCD	
CC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1	10619173	CJFVDXUYKJUHIZ-HXUWFJFHSA-N	410.514	3.695	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3c[nH]c4ccccc34)cc2F)CC1	303309195	ONIJDRNJXCVCAQ-UHFFFAOYSA-N	408.521	3.698	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(CCc3ccccn3)C1=O)O[C@@H](C)C2	726196763	AXSDRMBZXPJKCR-HCZVKUGISA-N	412.536	3.858	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)n2)c(C)c1	727243424	IYABWBQXXLDJIT-UHFFFAOYSA-N	413.528	3.818	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc4nc(OC)ccc4c3)CC2)cc1	727595609	KMPOILCYJNHLEZ-UHFFFAOYSA-N	406.486	3.996	10	20	HHCD	
CCOc1ccc(N(CC)Cc2nnnn2-c2ccccc2Br)cc1	727829563	GZJVMLATESVXLI-UHFFFAOYSA-N	402.296	3.850	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCOc2ccc(Br)cc2)c1	728950920	OPINPFKAUGDGEV-LBPRGKRZSA-N	409.280	3.603	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)ccc2I)c1	729535899	WIKNOHBYBVHEIZ-VIFPVBQESA-N	415.202	3.636	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc(C)s3)cc2F)CC1	730120648	SQTDCCNTDNSVCL-INIZCTEOSA-N	404.555	3.898	10	20	HHCD	
CN(C)c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Cl	731898181	DMODUMDTNDKXPK-UHFFFAOYSA-N	416.953	3.936	10	20	HHCD	
C[C@@H](CSc1ccccc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	732390467	FBXHCPRSPFLBBO-KRWDZBQOSA-N	400.544	3.683	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cc(Br)cs2)cs1)c1cncc(F)c1	733730650	BVSGWAJKUMUIKQ-UHFFFAOYSA-N	420.310	3.969	10	20	HHCD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCCSc1nccs1	734512129	CQKABCOIMYKNTL-UHFFFAOYSA-N	405.593	3.507	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)cc1F	741096341	YSRHEPWSPQIUMH-UHFFFAOYSA-N	412.509	3.527	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc2c(c1)OCO2	742714444	KPYZORVLYCIKIN-UHFFFAOYSA-N	407.264	3.615	10	20	HHCD	
COc1ccc(OC)c(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742800447	RHUGVDWMIGQYIE-MRXNPFEDSA-N	420.456	3.633	10	20	HHCD	
COc1ccccc1CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743503144	RCPQTJLUOIQVHN-INIZCTEOSA-N	405.445	3.765	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCc1ccc(F)cc1	743871029	MZRLYWIAMPBILB-CYBMUJFWSA-N	409.299	3.821	10	20	HHCD	
COCCOC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1	744416940	KJNZZJYUBIBVPK-LJQANCHMSA-N	402.510	3.709	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1	745435940	VWZCJXVTSDLYSW-XMMPIXPASA-N	416.481	3.709	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](Cc3ccccc3)[C@H]2C)c1	747467615	KVHORNRUFMQELE-DENIHFKCSA-N	422.569	3.880	10	20	HHCD	
CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)C(=O)OC	748785670	CZYXGHQYGIUZBV-LJQANCHMSA-N	407.308	3.928	10	20	HHCD	
COc1cc(CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)ccc1OCCO	749573418	NMGHNCFHGXQMBH-UHFFFAOYSA-N	408.498	3.712	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc4nc(C(F)F)[nH]c4c3)CC2)cc1F	753731349	MHQPBIKWWSGOHU-UHFFFAOYSA-N	404.392	3.611	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3sc(C)cc3OC(F)F)CC2)cc1F	753738264	HMFPRFMIOOVSEL-UHFFFAOYSA-N	400.422	3.768	10	20	HHCD	
COc1ccc(C2(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCC2)cc1OC	754168554	ISRODJXTRJJQLY-GOSISDBHSA-N	424.541	3.840	10	20	HHCD	
CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)N(C)Cc2ccccc2O)cc1	756130593	CNYGCQLDERSZNL-KRWDZBQOSA-N	413.518	3.590	10	20	HHCD	
CCn1ncc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1-c1ccccc1	756676202	BBZKWCAXYVOPSW-UHFFFAOYSA-N	404.514	3.977	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CC=C(C(F)(F)F)CC3)cc2F)C[C@H](C)O1	757630078	VTCBRFKCTWFNIG-KBPBESRZSA-N	415.431	3.843	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cc1F	757852691	QJVBRVMYFYDDLL-HOTGVXAUSA-N	401.482	3.523	10	20	HHCD	
CC[C@H](C)NC(=O)c1cccc(CNC(=O)NCCCSc2nccs2)c1	759560331	FUTPFCVAXZYTMU-AWEZNQCLSA-N	406.577	3.653	10	20	HHCD	
CN(Cc1cccn1C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	760773949	VAYZPCVPPOVZKA-FOWTUZBSSA-N	419.597	3.727	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccccc1CN1CCCC1	760973766	YNCABKRRBZBYMB-UHFFFAOYSA-N	413.905	3.606	10	20	HHCD	
Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccc3nonc23)cs1	765168966	ZCKZBJWXGYYSBV-UHFFFAOYSA-N	404.448	3.522	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1	765325427	NRELQXKMMAZFKH-REWPJTCUSA-N	409.530	3.837	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1	765628944	UGGBKCROUCXDQQ-OAHLLOKOSA-N	404.352	3.986	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCCC3=CCCCCC3)CC2)cc(OC)c1OC	766652987	GWJGWCXRNZBDSC-UHFFFAOYSA-N	417.550	3.825	10	20	HHCD	
CN(CCOc1ccc(OCc2ccccc2)cc1)Cc1cc2c(cc1O)OC[C@H]2O	768447336	OFSOAWBDBKQAQE-XMMPIXPASA-N	421.493	3.908	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771067191	SBDKTKGDNGQVFT-IBGZPJMESA-N	424.932	3.934	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	772462415	JOWOHTPKXKTMNZ-FUHWJXTLSA-N	404.555	3.648	10	20	HHCD	
C[C@@H](NC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773627445	XVBZCXJMUKPKMF-IAGOWNOFSA-N	404.555	3.760	10	20	HHCD	
COCC1(C)CCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	773727113	LTYJPKRHXTWULV-MRXNPFEDSA-N	420.509	3.538	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	773739334	FGUSRLHCDFBTCK-LLVKDONJSA-N	406.269	3.951	10	20	HHCD	
COc1ccsc1S(=O)(=O)Nc1nc(-c2ccccc2)c(NC(C)=O)s1	775209093	RKWVXWCZTVLASR-UHFFFAOYSA-N	409.514	3.639	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H](OCC2CC2)C1	779604460	KIOIIXOQEPTCNB-XLIONFOSSA-N	423.504	3.857	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)cc1	781137711	WVXMYSALYAOAGG-UHFFFAOYSA-N	402.560	3.574	10	20	HHCD	
CN(C)CCOc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1	784059567	NUSLCZZZDYOEFO-UHFFFAOYSA-N	424.545	3.514	10	20	HHCD	
C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cccc(C(F)(F)F)c1O	788718469	LOJIDTQUVWUKAD-CQSZACIVSA-N	423.435	3.855	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(Br)cn3)cc2F)CC1	794809928	RYZIIRMBOGLBJH-HNNXBMFYSA-N	421.358	3.976	10	20	HHCD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(OC)cc2O)nc1	795284301	KATULBJQTQVRHB-UHFFFAOYSA-N	413.499	3.623	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1	797640601	OOKTUCDFJCPMSR-SNVBAGLBSA-N	417.359	3.525	10	20	HHCD	
CSc1ccccc1[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	799365098	TWGBRTKXTOVFEJ-HNNXBMFYSA-N	403.523	3.945	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCN(CC(F)(F)F)CC3)cc2F)C[C@@H](C)O1	800884949	OGIIUCKQXZXAOU-GASCZTMLSA-N	403.464	3.556	10	20	HHCD	
O=C(Nc1ccccc1)N1CC[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	800901567	IRMLFGUAMYFMFR-HXUWFJFHSA-N	423.517	3.981	10	20	HHCD	
COCCNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1	804340739	YGJHOFRQHNQNOH-UHFFFAOYSA-N	409.461	3.862	10	20	HHCD	
Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)N(C)C	806541220	GXUOQQTYRWGNFS-ROKPMTFOSA-N	424.589	3.883	10	20	HHCD	
O=C(Nc1cc2n(n1)CCCC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806719984	IKASMXYPKDPJST-UHFFFAOYSA-N	405.449	3.611	10	20	HHCD	
CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)c1cc(O)cs1	807357859	JQTHFJFFUSDEKA-UHFFFAOYSA-N	414.321	3.638	10	20	HHCD	
Cc1cc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1Cl	807582124	SXQNRACAXPKJAF-UHFFFAOYSA-N	413.949	3.914	10	20	HHCD	
COc1ccc(CN2CC[C@@H](NCc3ccc(N4CCCCC4)cc3)C2=O)c(OC)c1	808423693	HWGJZZVQYPSINW-HSZRJFAPSA-N	423.557	3.585	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(C(C4CCC4)C4CCC4)n3)CC2)cc1	809465139	SBBZNDDSEVUYTC-UHFFFAOYSA-N	424.545	3.653	10	20	HHCD	
CCSc1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	813589834	GKMVZUZQWGWQEG-UHFFFAOYSA-N	417.550	3.898	10	20	HHCD	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1CCCN1CCOCC1	814285994	UOZNINARMQJGBF-NTCAYCPXSA-N	416.490	3.629	10	20	HHCD	
CCCc1nc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1	814320019	GDPQREINMADPPB-UHFFFAOYSA-N	411.424	3.721	10	20	HHCD	
COC(=O)N1CCN(c2ccc(NCc3cc(-c4ccccc4)ccc3O)cn2)CC1	815158635	XZZOBQUJRAUOGI-UHFFFAOYSA-N	418.497	3.955	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C2CC2)cc1	914438495	BBFDNVYNPPMTBR-FQEVSTJZSA-N	423.532	3.935	10	20	HHCD	
CCCCCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(C)C	917053416	LLNKUJMIDHXDNT-KDURUIRLSA-N	407.574	3.956	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)cc3)cc2)C1	917596027	MBMKBFFWSRITMP-OAHLLOKOSA-N	402.951	3.528	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CCCC3)cc2)C1	917833017	KIUMLVIZXCVLFJ-IBGZPJMESA-N	423.532	3.656	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1	918130352	SMQRIUIXRFQIRC-FQEVSTJZSA-N	402.498	3.980	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(S(=O)(=O)N2CCCC2)cc1	1116565165	JRAXWWRYUUVLNH-VQIMIIECSA-N	400.544	3.823	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc4ccc(OC)cc4nc3C)CC2)cc1	1319381733	TWZALSJXQDEKLK-UHFFFAOYSA-N	405.498	3.913	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1nccc(Cl)c1F	1320612501	QSKQAGIAPDHQFM-UHFFFAOYSA-N	417.790	3.660	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CCCO2)cc1	1796340616	ZKNKCLWQOSWRNH-CWKRKGSWSA-N	421.541	3.525	10	20	HHCD	
COc1ccc2oc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c(C)c2c1	7242998	LAVXZVBYEBTXGE-UHFFFAOYSA-N	410.470	3.631	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1	9932360	CIZHMPIBSDGTTA-UHFFFAOYSA-N	410.486	3.801	10	20	HHCD	
CCCCN1C(=O)C[C@@H](C(=O)N(C)Cc2ccccc2O)[C@H]1c1ccc(OC)cc1	71963591	APFFFGVAPCLSQX-NFBKMPQASA-N	410.514	3.749	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)CC2)cc1	110421468	LHJOISAOQCTCCD-JOCHJYFZSA-N	413.493	3.586	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1ncnc2ccc(S(C)(=O)=O)cc12	302795559	OTHQQXRRUFKTCM-UHFFFAOYSA-N	410.543	3.660	10	20	HHCD	
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	318012324	WSDJMMDGVSQPCB-UHFFFAOYSA-N	407.629	3.517	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CCNC4=O)cc3)ccc21	482010608	AMJFJIRTELCHQH-UHFFFAOYSA-N	406.486	3.686	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCOCc3ccc(OC)cc3)ccc21	536775173	BQEBTNNZOKGVJD-UHFFFAOYSA-N	410.514	3.860	10	20	HHCD	
COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1	727246176	JIZHGIKIEOEYBY-UHFFFAOYSA-N	416.452	3.737	10	20	HHCD	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	727847780	UHIGNDQKTBZMCP-TUNNFDKTSA-N	414.594	3.792	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCNC(=O)OC(C)(C)C)cc1	728839353	LHQMFOOYUIKSPW-UHFFFAOYSA-N	403.445	3.558	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1	728839655	UPKVPEOMWTVXSH-KRWDZBQOSA-N	419.447	3.697	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1	729049223	IFMJFUJRYVHDSD-UONOGXRCSA-N	412.490	3.806	10	20	HHCD	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCOCC2)cc1	729051295	PECUFQLJACWUIT-UHFFFAOYSA-N	412.490	3.552	10	20	HHCD	
COc1ccccc1OCCCNC(=O)NCc1ccc(N2CCSCC2)cc1	729227050	ONNSLWUFRCTIMX-UHFFFAOYSA-N	415.559	3.517	10	20	HHCD	
COc1ccc(Cn2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)cn2)cc1	731617899	IYTBNIHJTXMROW-UHFFFAOYSA-N	404.514	3.860	10	20	HHCD	
CC(C)N1CCN(c2ccc(C(=O)NCCCSc3nccs3)cc2)CC1	733881011	WIQWDCYYJDTHJE-UHFFFAOYSA-N	404.605	3.586	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@@H](CN2CCCC2)C1	740512703	KGQSGLWMYYOVHD-SFHVURJKSA-N	405.502	3.985	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@@H](O)COCc1ccccc1OC	743871070	OVGBMCANTFUCID-GOSISDBHSA-N	424.335	3.563	10	20	HHCD	
CCN(CC(=O)Nc1cc(C)ccc1OC)Cc1cc(Br)ccc1O	743871240	YHPGNGYJNRPHIL-UHFFFAOYSA-N	407.308	3.932	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(COCc3ccccc3)cc2)cc1	743879653	ICJLUIADQUPUAV-UHFFFAOYSA-N	417.509	3.724	10	20	HHCD	
C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	744280340	KFZHFSMCOKCIBA-HNNXBMFYSA-N	422.451	3.840	10	20	HHCD	
COc1ccc(N(CC(=O)NCc2ccccc2CN2CCCC2=O)CC(C)C)cc1	746170100	NAMDKGDNEZXEER-UHFFFAOYSA-N	423.557	3.596	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3c(F)c(F)cc(F)c3F)cc2F)C[C@@H](C)O1	748524159	HLHFSAZUFGMMEX-PHIMTYICSA-N	414.374	3.926	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)nc1-c1ccc(F)cc1	749738040	PHCSXGPVSLYCGH-UHFFFAOYSA-N	422.507	3.606	10	20	HHCD	
CCOc1ccc(C(=O)N(C)C)cc1NC(=S)NCCCN(C)c1ccccc1	749896380	CRFXJHJIEDXSLO-UHFFFAOYSA-N	414.575	3.600	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(N3CCOC3=O)c2)cc1	751406827	SEWUWEURSZWGIS-JOCHJYFZSA-N	423.513	3.531	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3csc(-c4cccs4)n3)CC2)cc1F	753742590	RSNANWDKETUXID-UHFFFAOYSA-N	417.531	3.911	10	20	HHCD	
COCCCOc1cc(C)ccc1CNC(=O)NCc1ccc2c(c1)CCCN2C	755242814	YDCNKFMAQKUWCU-UHFFFAOYSA-N	411.546	3.792	10	20	HHCD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	755610686	WFYFSRHSPVZZPB-VQIMIIECSA-N	413.949	3.537	10	20	HHCD	
C[C@@H]1CN(CCCCN[C@H](C)c2cc(Br)cc(F)c2O)C[C@@H](C)O1	756482147	GZRAABIHWKIDHY-MGPQQGTHSA-N	403.336	3.834	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCCc2nc(-c3ccc(Cl)cc3)no2)c1	756709556	VNTGSQOBRRWRDA-LBPRGKRZSA-N	401.850	3.776	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(C(=O)NCc3ccccn3)c2)c1	756851920	XCRVCJACBPQJFE-HNNXBMFYSA-N	405.454	3.677	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCc4n[nH]cc4C3)c2C)cc1	757806771	IGZBNVWMFPZLBB-KRWDZBQOSA-N	421.497	3.747	10	20	HHCD	
COc1ccc(N(C)CC(=O)N(C)Cc2cc(Br)cs2)cc1F	757852135	VYPCBGIWRJIKAR-UHFFFAOYSA-N	401.301	3.753	10	20	HHCD	
Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cs2)n1C	758721428	JKSCIJPSBJNFKD-INIZCTEOSA-N	410.543	3.785	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc4cccc(F)c4o3)CC2)cc(OC)c1OC	759220107	DFYJVMUSGQIXGK-UHFFFAOYSA-N	414.433	3.560	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc(OC)c1OC	759926945	FTLXOWZPPMXBRX-UHFFFAOYSA-N	413.518	3.992	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(CCCCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761050951	LTVMIPXEZQGCLY-HZPDHXFCSA-N	407.942	3.568	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](c1ccc(F)cc1)[C@H]1CCCO1	761117771	AACLDWWGTCXWJR-UYAOXDASSA-N	418.852	3.869	10	20	HHCD	
CC(C)(C)Oc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1	761690753	RYSBNXABDJFYLG-UHFFFAOYSA-N	403.866	3.582	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)c(Cl)c1	763299919	PLAKDQRATCKOGR-UHFFFAOYSA-N	409.711	3.869	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@@H](OC)c3ccccc3Cl)CC2)cc1F	763684086	ZRYJWHQEVICIGE-HXUWFJFHSA-N	421.900	3.707	10	20	HHCD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	764545214	UBSOWXYYIMCLBA-UHFFFAOYSA-N	419.478	3.817	10	20	HHCD	
COc1cc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1SC	765250637	CQQAWSYUQCJIAL-APWZRJJASA-N	413.587	3.970	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1	765302634	CVYUYLHDTZMOBB-MSOLQXFVSA-N	401.576	3.997	10	20	HHCD	
C[C@@H](NC(=O)c1c[nH]nc1-c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1	767898415	FIFCJKYJZVNNSL-CQSZACIVSA-N	412.440	3.683	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)c1	769543219	XQEZWDDSDAZQDZ-UHFFFAOYSA-N	420.303	3.528	10	20	HHCD	
Cc1ccc(-c2nc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)sc2C)cc1	769704609	DMHZFVOGXPOOPP-UHFFFAOYSA-N	417.512	3.756	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1	769997888	MXLTXNQSFIURCM-UHFFFAOYSA-N	418.881	3.779	10	20	HHCD	
Cc1cc(C(=O)CN2CCCN(C(N)=O)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1	772723589	QLBLXUBPELGLMM-UHFFFAOYSA-N	423.344	3.670	10	20	HHCD	
Cc1cc(CC(=O)NCCCCCS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	773441420	SKLLJKSQKOSFDQ-UHFFFAOYSA-N	410.967	3.621	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1	775127956	BSQMAUSHVCHXRT-RDTXWAMCSA-N	421.538	3.845	10	20	HHCD	
CCOC(=O)C1CCN(C(=O)c2ccc(NCc3ccc(N(C)C)cc3)cc2)CC1	775193656	SEJSSFOTXDGITK-UHFFFAOYSA-N	409.530	3.780	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccccc2CN2CC[C@H](O)C2)c1O	779049494	IBODGIARKSLTMU-BEFAXECRSA-N	419.363	3.881	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(-c3nnnn3C(C)C)c(F)c2)c1	783091674	DMDNIDFEJAWVJV-LBPRGKRZSA-N	414.441	3.657	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cnc1Br	788203535	YUXNDIKUMAMISK-UHFFFAOYSA-N	406.324	3.970	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1nc(Br)cs1	792538954	RJORRVBDKVSMEC-UHFFFAOYSA-N	400.261	3.868	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3ccnn3-c3ccccc3C)cc2F)CC1	792966131	QKKVCVBBZYEDNM-UHFFFAOYSA-N	407.537	3.752	10	20	HHCD	
COc1ccc(CNC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)c(O)c1	794388837	ARWBLEDTLLRTOS-UHFFFAOYSA-N	400.475	3.997	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@H](S(C)(=O)=O)CC2)c(C)n1-c1ccc(Cl)cc1	800230930	CYCJGUCTRKYTOE-FQEVSTJZSA-N	422.978	3.716	10	20	HHCD	
CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)C)CC1	802672282	PDGKUOUAHMKDQA-UHFFFAOYSA-N	420.561	3.677	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](C3CC3)C(F)(F)F)cc2F)C[C@@H](C)O1	806457443	MGXUWJFPZQWHTR-QFSBIZTOSA-N	403.420	3.579	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)n2)c(C)o1	806986008	GDRFUOGAAWFDFM-CYBMUJFWSA-N	412.515	3.902	10	20	HHCD	
CC[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(C(F)(F)F)cc1O	810207287	ISVYECDJAXDSRS-HNNXBMFYSA-N	413.440	3.706	10	20	HHCD	
CC[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(C(F)(F)F)cc1O	810240484	CFCSHLBCYPKPJR-MRXNPFEDSA-N	409.408	3.532	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nn1C1CCCCC1	810353543	LVUXUQRTQKOLPT-UHFFFAOYSA-N	423.561	3.892	10	20	HHCD	
CC(C)[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)N1C(=O)c2ccccc2C1=O	813683776	CKYJNZQGSTUSEN-MRXNPFEDSA-N	421.280	3.636	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(NCc3cc(F)c(N(C)C)cc3F)cc2)C[C@H](C)O1	864039555	WVDHLUOKANIJEE-GJZGRUSLSA-N	403.473	3.892	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)cc1	914684392	BSROUBGDLNTKOM-UHFFFAOYSA-N	418.522	3.507	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	917310270	QAVYWJUMWXWZEO-UHFFFAOYSA-N	420.431	3.922	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCOc3ccc(F)c(Cl)c3)CC2)cc1	917822102	BKHBOPNCAKSVEE-UHFFFAOYSA-N	406.885	3.996	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1csc(COc2ccc(Cl)cc2)n1	918714019	XBVQUXCDNKZBRP-DHDCSXOGSA-N	421.931	3.678	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cn3ccsc3n2)cc1	919655939	YWJDJSKPEJEZNE-UHFFFAOYSA-N	409.515	3.967	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C)c3)n2)cc1	1115966358	QMDSNPCXZZERKY-UHFFFAOYSA-N	415.540	3.864	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H]3CC[C@@H](C)C[C@H]3n3cncn3)cc2F)C[C@@H](C)O1	1117039582	BXIPGVYQPUUFLP-QCKABWCNSA-N	401.530	3.550	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cc(I)ccc1F	1117507603	QRWXTPZHASAEOT-UHFFFAOYSA-N	417.565	3.872	10	20	HHCD	
CC(C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c1c(O)nc(=O)n2CC(C)C	1317924679	PNCRKUWXSDYPFI-UHFFFAOYSA-N	409.534	3.878	10	20	HHCD	
C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3ccc(N4CCCC4)cc3)cc2)C1=O	1325725883	KLOWTHOBKRPISU-RUZDIDTESA-N	418.541	3.802	10	20	HHCD	
CNS(=O)(=O)c1cc(-c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c(C)o1	1326054676	KOOUICYJZMSDCZ-UHFFFAOYSA-N	412.471	3.621	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(C)C)c(Cl)c1	1338766609	IODYYDLNGKSVAW-KRWDZBQOSA-N	405.878	3.779	10	20	HHCD	
O=C(/C=C/C1CCCCC1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1	1845501938	UMFPYOWXGOBBET-BQYQJAHWSA-N	418.921	3.705	10	20	HHCD	
Cc1cc(C(=O)CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)s1	16134632	RZQGEHSOZOLRJG-UHFFFAOYSA-N	400.544	3.823	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(C)n1-c1ccc(F)cc1	22529113	UDECZZANJMZBMR-OAHLLOKOSA-N	423.444	3.516	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1	248112306	KKZYJRMPWXFETA-UHFFFAOYSA-N	408.329	3.838	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c2c(C)nn(C)c2n1	261387120	JORLLPAPEKLJHO-UHFFFAOYSA-N	419.451	3.856	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCN(Cc2cscn2)CC1	727404881	NPKKOZFQTDVOSK-UHFFFAOYSA-N	400.573	3.960	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(C)nn(-c4ccccc4)c3n2)c1	728983391	ZGPRUCJONWAADV-CQSZACIVSA-N	402.454	3.934	10	20	HHCD	
CCOc1ccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1	730134315	XYDXBIKQTOYJNB-UHFFFAOYSA-N	400.498	3.688	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCOc3ccc(C)c(C)c3)cc2F)CC1	730194755	OZWFBUPEFSEFEH-UHFFFAOYSA-N	413.537	3.670	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C(=O)N(C)OC)cc3)ccc21	731418606	QBKUEYPHHXXPCU-UHFFFAOYSA-N	409.486	3.790	10	20	HHCD	
CCC(CC)N1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1=O	731579050	UXTIXILPZVZPSJ-MRXNPFEDSA-N	413.484	3.681	10	20	HHCD	
Cc1cc(C(=O)N(C)CCN(C)C2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1	733163391	DHWNYTGZONDAFN-UHFFFAOYSA-N	416.997	3.846	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(F)c(Br)c1	743229911	PXMSITJSRDWIJX-UHFFFAOYSA-N	408.271	3.747	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CCc3ccccc34)cc2F)C[C@@H](C)O1	743315501	WZJXAPNOIPUZOU-LSELKLMYSA-N	408.517	3.960	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C12CCCC2	743564403	KSUGZDABWRASHV-IOMROCGXSA-N	401.551	3.621	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)Oc1cccc(Br)c1	743698270	MYGFPONIEOTUNO-AWEZNQCLSA-N	406.324	3.782	10	20	HHCD	
CCOc1ccccc1OCC(=O)N(CC)Cc1cc(Br)ccc1O	743809181	OOBMVDQPGOHHGD-UHFFFAOYSA-N	408.292	3.981	10	20	HHCD	
Cc1ccc(F)c(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)c1	744412331	BAFNQCDHINCBCY-MHWRWJLKSA-N	407.513	3.943	10	20	HHCD	
Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1	745779702	QCSGGFBMSSXJSX-IRLDBZIGSA-N	422.573	3.861	10	20	HHCD	
CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc(N4CC=CC4)cc3)ccc2NC1=O	745929006	AJUXYULICGLCKV-IIBYNOLFSA-N	420.513	3.733	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC(C)C)cc1	746169982	JZTOPWGEKAYGEO-UHFFFAOYSA-N	411.546	3.629	10	20	HHCD	
CC(C)CCc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	746988490	OCRZMVSYIJCQMX-UHFFFAOYSA-N	423.557	3.709	10	20	HHCD	
Cc1cc(CC(=O)N[C@H](Cc2ccccc2)C(N)=O)c(C)n1-c1ccc(Cl)cc1	747217957	VGDZRCMWVNWOSY-OAQYLSRUSA-N	409.917	3.503	10	20	HHCD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	747378649	NWLRRFXBDVEUQD-QMHKHESXSA-N	418.484	3.928	10	20	HHCD	
Cc1cc(CCNC(=O)NCCC(=O)N2CCCCCC2)c(C)n1-c1ccccc1	748344055	SDGRIQHISHOJMV-UHFFFAOYSA-N	410.562	3.729	10	20	HHCD	
CC(C)C(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	751120085	BOCHKOXTNLUKAM-IBGZPJMESA-N	417.527	3.601	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1	751325650	LWKRPYDKOFPHHD-SECBINFHSA-N	406.287	3.756	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C4CC4)n(C(C)(C)C)n3)CC2)cc1F	753731305	LOQYWWOKMJKCIS-UHFFFAOYSA-N	400.498	3.626	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1O	756040303	NQHUXSMMQNGIII-SFHVURJKSA-N	410.445	3.875	10	20	HHCD	
COC(=O)CCSc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1	756482282	QYDUJRTZQAQOSB-UHFFFAOYSA-N	405.495	3.869	10	20	HHCD	
C[C@H](CC[S@](C)=O)N[C@H](C)c1cc(Br)cc(Br)c1O	756741596	HAXMSCSDUCGQNE-LQJGKPAFSA-N	413.175	3.725	10	20	HHCD	
CCCC[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCC1	757182681	QOKGJHYCROACJI-CTNGQTDRSA-N	400.567	3.546	10	20	HHCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1NC(=O)OC(C)(C)C	757634769	MSFGDYWXNVEQTB-SJLPKXTDSA-N	422.545	3.727	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)CC2)cc(OC)c1OC	759225563	PNZMRUDENDPNAD-HNNXBMFYSA-N	418.921	3.818	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H]3CCCCC3(C)C)CC2)cc(OC)c1OC	759289227	XQCYGCOQJOHPMH-IBGZPJMESA-N	405.539	3.513	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCSc3nccs3)CC2)cc1	759576692	ZDQZYECXMCKYMB-UHFFFAOYSA-N	406.577	3.602	10	20	HHCD	
O=C(CCc1nnc(C2CCCC2)o1)NCc1ccc(N2CCSCC2)cc1	760383579	CCGYPSCZAKCYSD-UHFFFAOYSA-N	400.548	3.529	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H](O)c1cc(Cl)cc(Cl)c1	764846470	IMPNUVWHNATZAA-SFHVURJKSA-N	411.354	3.896	10	20	HHCD	
COC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1Cl	765291974	ACWTZKFUAZXQLC-UHFFFAOYSA-N	413.655	3.916	10	20	HHCD	
Cc1c([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1ccc(F)cc1	765332348	WPYGXTDBSBFLCM-IRXDYDNUSA-N	409.509	3.963	10	20	HHCD	
CC[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc2c(c1)OCCO2	765476177	HPIAHBXFWCLDMT-HNNXBMFYSA-N	421.291	3.876	10	20	HHCD	
C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-n2cnnn2)cc1	765645667	VPZDKYXUBWUEJW-OAHLLOKOSA-N	414.460	3.583	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H](C)c3ccc(Br)cc3)CC2)cc1	766296035	UGBLVDYHNQECIF-OAHLLOKOSA-N	403.320	3.910	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1	766416364	JQROIEGHWRLVIV-INIZCTEOSA-N	417.937	3.865	10	20	HHCD	
Cc1ccc(C)c(N2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1	766893310	JLAMHWMUBRNVBL-NRFANRHFSA-N	422.573	3.733	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(O)c(F)c2)NC(=O)OC(C)(C)C)cc1	768196319	CTVKWPWPICPYGK-GOSISDBHSA-N	417.481	3.593	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(Br)cc2Br)c1	768407117	MEUSYJJCWDYZSU-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
C[C@@H](c1ccc(F)cc1F)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	769328558	QZVDUAPALBWMMR-SFHVURJKSA-N	401.501	3.680	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1	769878062	ZPAANFUNGDVNDN-QPPBQGQZSA-N	419.569	3.881	10	20	HHCD	
CCS[C@H](C)c1noc(CN(C)Cc2cc(Br)cc(OC)c2O)n1	770353345	BFGLUTMXKZFTOP-SNVBAGLBSA-N	416.341	3.992	10	20	HHCD	
CC[C@]1(C)COCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	770880418	FTBKPGIGVVAMFO-LBKOFNPBSA-N	424.613	3.757	10	20	HHCD	
COCc1ncc(-c2noc(Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)n2)c(N)n1	770918399	TZZNJYPTMIOVSI-UHFFFAOYSA-N	424.892	3.907	10	20	HHCD	
CN1CCN(c2ccc([C@@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)cc2)CC1	771520228	GUMVLZBPAWRYOS-LJQANCHMSA-N	404.436	3.567	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)c2ccccc12	774147530	BMDVLBQICDVUIC-UHFFFAOYSA-N	413.271	3.905	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H](OC)c3ccccc3F)CC2)cc1	775770852	SMAJRMOOXZRWFR-OPAMFIHVSA-N	415.509	3.879	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1	779351738	TXDYABLKYYICPP-CYBMUJFWSA-N	410.301	3.786	10	20	HHCD	
COCC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(C)o1	779396089	HJENALREUWIRNO-RTBURBONSA-N	402.491	3.762	10	20	HHCD	
Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1NS(=O)(=O)c1ccccc1	779495676	GORGCYGRRZSOJY-XFXZXTDPSA-N	424.478	3.859	10	20	HHCD	
CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)cc1	780397130	FWTCUSHFCJBTCI-UHFFFAOYSA-N	415.515	3.864	10	20	HHCD	
CN(C)C(=O)CC1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	781374746	DNPYPQBJYDCGTQ-UHFFFAOYSA-N	414.594	3.855	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1cc(Cl)ccc1F	790155121	WCHWUAJLWUPEPU-UHFFFAOYSA-N	400.928	3.511	10	20	HHCD	
CCOc1ccc(CNCc2noc(-c3cccc(Br)c3)n2)c(O)c1	790939553	FBBGNMUAUBFSBP-UHFFFAOYSA-N	404.264	3.893	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(OCCC(C)C)c(OC)c2)c(O)c1	792821592	YKBKPHYHVIHNFA-UHFFFAOYSA-N	402.491	3.834	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)c1	793414832	CQMXAKJQFZQRNR-OAHLLOKOSA-N	419.522	3.718	10	20	HHCD	
C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3cc(Cl)cc(F)c3O)cc2)C1=O	793604637	AAPUJSRJKRZEBI-NRFANRHFSA-N	417.868	3.699	10	20	HHCD	
Cc1oc2c(CN3CCO[C@]4(CCO[C@H]4C)C3)c(O)ccc2c(=O)c1-c1ccccc1	794668739	RBYIKYXJONDCSO-SSOJOUAXSA-N	421.493	3.854	10	20	HHCD	
Cc1oc2c(CN3C[C@H](C)O[C@]4(CCOC4)C3)c(O)ccc2c(=O)c1-c1ccccc1	794705286	NXBZKDHTTKJIDX-IVCQMTBJSA-N	421.493	3.854	10	20	HHCD	
CC[C@H](NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc(C)cc1O	794829961	WPYZXDCHMCRGRY-KNQAVFIVSA-N	414.521	3.598	10	20	HHCD	
Cc1c(NCc2ccc3c(c2)CCN3Cc2ccccc2)cccc1C(=O)NCCO	796282804	ZOXNBIAXKWMYOY-UHFFFAOYSA-N	415.537	3.892	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@@H]2CCc3cnn(C)c3C2)c1C	798765618	NEALKNZWRFIWDL-GOSISDBHSA-N	405.498	3.667	10	20	HHCD	
Cc1cc(C(=O)OC[C@@]2(C)CNC(=O)C2)c(C)n1-c1cccc(Br)c1	802196295	LWYRPZLHTPPFDZ-LJQANCHMSA-N	405.292	3.540	10	20	HHCD	
CC[C@@H](c1ccccc1OC)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	806458665	ZWXPGYFPELJAET-FQEVSTJZSA-N	415.509	3.964	10	20	HHCD	
CCOC(=O)/C(=C/c1cn(-c2ccccc2C)nn1)c1nccn1Cc1ccccc1	806572129	WIAQLSWROGMOEP-RCCKNPSSSA-N	413.481	3.924	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H](C)c1ccccc1	806870004	CXBLHFZRHMLSEV-VQTJNVASSA-N	407.558	3.944	10	20	HHCD	
C[C@H](CCc1cccn1C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	807649119	ACGVIXRSCHHJDM-GOSISDBHSA-N	411.546	3.530	10	20	HHCD	
Cn1nnc2c1C[C@@H](C(=O)OCC(=O)Nc1ccc(N=Nc3ccccc3)cc1)CC2	811342940	BNFWFLHMVCIDKZ-HNNXBMFYSA-N	418.457	3.517	10	20	HHCD	
O=C(N[C@H]1CCCC12CCOCC2)C(=O)N(Cc1ccccc1O)C1CCCCC1	814182240	RUHDEDRKNAQMAL-NRFANRHFSA-N	414.546	3.519	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)c([N+](=O)[O-])c1Br	814923466	ISYYYBJAGOPZMN-NAKRPEOUSA-N	412.240	3.756	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(Cc2ccc(F)cc2Cl)CCOCC1	818965731	DUXGDQCJTCNHFE-KXFIGUGUSA-N	405.853	3.812	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=N)Nc3ccc(OC(C)C)cc3)cc2F)CC1	849101235	XTHBRJQXXTXWQC-UHFFFAOYSA-N	413.541	3.891	10	20	HHCD	
CN1CCN(c2ccc(CNc3cccc(S(=O)(=O)c4ccccc4)c3)cc2)CC1	864017913	KLQFDZYEISBUQB-UHFFFAOYSA-N	421.566	3.883	10	20	HHCD	
CC1(C)NC(=O)N(CCSc2ncc(-c3ccccc3)n2Cc2ccco2)C1=O	913538498	YNAPAQXCTQIJPH-UHFFFAOYSA-N	410.499	3.614	10	20	HHCD	
COC(=O)c1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(F)cc1F	916681042	FSZZRRDXUMYZKW-CQSZACIVSA-N	420.412	3.670	10	20	HHCD	
CN(Cc1ccc(OC(F)F)cc1)C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1	917074206	ULNZNCFZUMAPMQ-UHFFFAOYSA-N	417.500	3.977	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1C	917757947	CMFGMJQLEFMIPC-UHFFFAOYSA-N	423.343	3.864	10	20	HHCD	
CCOc1cc(C)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	918295551	QIZBFPVRDIRODP-UHFFFAOYSA-N	408.454	3.860	10	20	HHCD	
O=Cc1cccc(OCc2cccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c2)c1	1116815972	KIGXBQZSAFMSRF-UHFFFAOYSA-N	406.390	3.529	10	20	HHCD	
COc1ccccc1-c1nnc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)o1	1254591617	UWIVQAGKEXDBPZ-UHFFFAOYSA-N	422.466	3.732	10	20	HHCD	
Cc1cc(Cl)cc(C)c1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1319467226	KJJMBADUOMWMEM-KRWDZBQOSA-N	414.937	3.980	10	20	HHCD	
O=C1NCCN(Cc2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1	1319717924	OGNLZXUDZSVVMM-HXUWFJFHSA-N	403.448	3.979	10	20	HHCD	
CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)n2)cc1	1320092249	SGNHUQTZYMLCNU-OAHLLOKOSA-N	409.486	3.951	10	20	HHCD	
CCc1nn(C)c(OC)c1CNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1320556398	BKRYRPFRULOEAN-UHFFFAOYSA-N	400.910	3.982	10	20	HHCD	
Cc1occc1C(=O)Nc1nc(CC(=O)Nc2c(Cl)ccc3nonc23)cs1	1339436941	ASDLJXWTAASRPC-UHFFFAOYSA-N	417.834	3.668	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCc2nc(Cc3ccccc3)no2)C2CC2)cc1	1346884971	SHFGCAVMUASULZ-UHFFFAOYSA-N	419.529	3.643	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CCC2(CCCN(C(=O)c3ccco3)C2)CC1	1808062678	ZGNRWNFCPXDLQM-UHFFFAOYSA-N	418.877	3.503	10	20	HHCD	
Cc1ccsc1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	10647496	WKXBAOCRPACGQU-UHFFFAOYSA-N	405.431	3.627	10	20	HHCD	
Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1Cl	23398162	HDXIOTIJAAKOMN-UHFFFAOYSA-N	423.343	3.783	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3ccccc3Br)CC2)cc1	248122502	GACIMJOLOBIOLY-UHFFFAOYSA-N	421.360	3.899	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1ncnc2ccc(Br)cc12	301112186	OMOWWJLTYDTCRG-UHFFFAOYSA-N	413.319	3.865	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3nc(O)c4sccc4n3)ccc21	482044644	ZZINICBSWGMJFC-UHFFFAOYSA-N	424.526	3.887	10	20	HHCD	
CCNC(=O)c1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	726094723	PVPMGPHTHKKCFO-UHFFFAOYSA-N	407.470	3.647	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)c(C)o1	727402622	ITEUBRZZINNTOA-UHFFFAOYSA-N	420.513	3.734	10	20	HHCD	
COc1cc(OC)cc(Oc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)c1	728697016	HZCIBWGWVHIFOC-UUYOSTAYSA-N	416.433	3.958	10	20	HHCD	
COc1ccc(N2CCCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC2)cc1	728898406	HWPLZHBMKCYOHF-UHFFFAOYSA-N	407.474	3.637	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc(C)cs1	729595865	CWZUXADRJHMSRX-QGZVFWFLSA-N	406.527	3.502	10	20	HHCD	
Cc1cc(C(=O)NCCN2CCSCC2)c(C)n1-c1cccc(Br)c1	732777102	HJXCIGCSVQIIQD-UHFFFAOYSA-N	422.392	3.635	10	20	HHCD	
CCc1cc(N2CCC[C@@H](NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)C2)ncn1	732916440	QYUCHNGVLOYOPH-HXUWFJFHSA-N	421.520	3.984	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1	735112771	JSNOAWUSDBYYIJ-KRWDZBQOSA-N	418.488	3.774	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(Br)sc2Br)c1	735116697	SAWXSAPMLRBLLK-UHFFFAOYSA-N	421.110	3.917	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CCCn2ccccc2=O)c1C	735146060	PTRJFWYNPLQFMD-UHFFFAOYSA-N	406.482	3.771	10	20	HHCD	
CCOC(=O)N1[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1c1ccc(C)o1	736474784	LCQJSMMFSGOYBS-RTBURBONSA-N	417.481	3.772	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	742298116	HQJPFMAWYZOKAR-UHFFFAOYSA-N	418.302	3.755	10	20	HHCD	
CN(C[C@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)OC(C)(C)C	745788585	NEDHYPVAEZVLNQ-LJQANCHMSA-N	416.566	3.610	10	20	HHCD	
CCC(CC)(CNC(=O)N[C@H](C)c1cc(OC)ccc1O)NC(=O)OC(C)(C)C	746008176	XWYDFVBXEXHVGK-CQSZACIVSA-N	409.527	3.845	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(-c2ccccc2Cl)c1	747473314	FNRRTQYJHBHFMN-UHFFFAOYSA-N	424.932	3.664	10	20	HHCD	
COC(=O)c1c(NC(=O)COc2ccc(N3CCCC3)cc2)sc2c1CCC2	749791052	LUIGDRAPZPZATJ-UHFFFAOYSA-N	400.500	3.641	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCn3cncc3C2)cc1	750878510	IRUYVBBHMAHHFA-LJQANCHMSA-N	404.514	3.754	10	20	HHCD	
C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	751406675	REFXFQORFHGVEH-PXNSSMCTSA-N	400.494	3.867	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21	751801597	XGPBNROBHNTBSD-FQEVSTJZSA-N	420.557	3.887	10	20	HHCD	
CC1CCN(S(=O)(=O)Cc2ccccc2CNCc2c(O)cccc2Cl)CC1	756045512	KZHOLHFYHMOAQN-UHFFFAOYSA-N	422.978	3.897	10	20	HHCD	
C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(Br)cc1O	756852131	YIUWNVMNJQWHRC-FZKQIMNGSA-N	418.335	3.778	10	20	HHCD	
COc1ccc(N[C@@H](C)c2ccc(Br)cc2O)cc1NS(C)(=O)=O	756869405	VOHJMAFNXNZNPB-JTQLQIEISA-N	415.309	3.708	10	20	HHCD	
CCC1(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCCC1	757141169	UDVZWMNTMGILHD-IRXDYDNUSA-N	420.525	3.569	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2nc(N3CCOCC3)oc2c1	757901874	YUYXORSYTPDOJQ-UHFFFAOYSA-N	422.485	3.571	10	20	HHCD	
COc1cc(N2CCN(Cn3cc(-c4ccc(C)cc4)cn3)CC2)cc(OC)c1OC	758964022	KZDSULLNLGIVBM-UHFFFAOYSA-N	422.529	3.664	10	20	HHCD	
COc1ccc(-c2noc([C@H](C)N(C)Cc3ccc(N4CCOCC4)cc3)n2)cc1	764143710	UNOVMFQHJCFUGU-KRWDZBQOSA-N	408.502	3.775	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCO[C@@H](C2CC2)C1	765316367	QSBPKTDAYXXNEW-VQIMIIECSA-N	409.477	3.514	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCN(C4CCCCC4)C3=O)cc2)CC1	765770638	YUJBGGNEKVCBEL-QFIPXVFZSA-N	412.578	3.656	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](C)CCCOc3ccccc3C(N)=O)CC2)cc1	768685992	GDRVWUGIWOIELA-SFHVURJKSA-N	411.546	3.600	10	20	HHCD	
CC[C@@H](c1ccncc1)N(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	769937693	SYIQJZIIFQOZCV-QFIPXVFZSA-N	413.477	3.879	10	20	HHCD	
O=S(=O)(C1=Cc2ccccc2OCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	772700985	KOEBEQWDTNDYPD-IBGZPJMESA-N	415.511	3.527	10	20	HHCD	
CCC(=O)N1CC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1	773224383	MVNIMGVDTVHAJB-KRWDZBQOSA-N	414.477	3.526	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccccc1COC(C)(C)C	773704420	JIVVBYITYWJDDI-UHFFFAOYSA-N	412.530	3.883	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)CCc3ccccc3)cc2)CC1	774541125	TWKLLCYJTUDDSY-HXUWFJFHSA-N	407.558	3.677	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	775258830	KHJGNHSLAIJXFS-OAHLLOKOSA-N	407.436	3.831	10	20	HHCD	
C[C@H](c1ccccc1)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1O	776006992	DVOUUJGEVDUZCF-GOSISDBHSA-N	410.539	3.846	10	20	HHCD	
CC1(C)C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C(C)(C)O1	778733012	WTMRUFSWXRDWML-QGZVFWFLSA-N	411.493	3.902	10	20	HHCD	
Cc1cc(Br)cc(CN(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1O	779224906	JMBSXVSATHWOHU-OAQYLSRUSA-N	419.363	3.532	10	20	HHCD	
NC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCCCC1	785207816	FBSMKKIQLLIWEW-HXUWFJFHSA-N	421.501	3.981	10	20	HHCD	
Cc1ccc(CN2CC[C@H](N[C@@H](C)c3cc(Br)ccc3O)C2=O)cc1	790749410	WIPIIEKIUZRRNF-KSSFIOAISA-N	403.320	3.915	10	20	HHCD	
CN1CC(=O)N(c2cccc(NCc3ccc(N(C)C)cc3C(F)(F)F)c2)C1=O	792864362	DNPIJKZSTNQLCY-UHFFFAOYSA-N	406.408	3.782	10	20	HHCD	
C[C@H](CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1	793936134	DUBPNNXSEZVHLJ-MRXNPFEDSA-N	410.445	3.573	10	20	HHCD	
Cc1ccc(-c2ccc(C)c(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)c2)o1	794094247	LTJATJPLKHTPKB-UHFFFAOYSA-N	400.456	3.893	10	20	HHCD	
COc1cccc(C2(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)c1	795361801	YTRPRQFIWKVYLW-IRXDYDNUSA-N	412.505	3.796	10	20	HHCD	
COC(=O)N1CCC(CN[C@H](C)c2cc(Br)cc(Cl)c2O)CC1	797094752	XCVCAEQUQMTVIB-SNVBAGLBSA-N	405.720	3.937	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1C[C@H](c2cccc(F)c2)C1	798057323	LXZXJSFWCOBRNL-UAPYVXQJSA-N	401.457	3.547	10	20	HHCD	
COc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3ccc(O)c(O)c3)s2)c(F)c1	800317329	MRROHXMNKPHOIV-UHFFFAOYSA-N	417.414	3.717	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2nnn(Cc3ccccc3F)c2C)cc1	801807606	JMFDBEXWDCEMMH-UHFFFAOYSA-N	410.497	3.942	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](N3CCCC3)[C@@H]2C)c(C)n1-c1ccc2c(c1)OCCO2	805769065	RJDXOGPRPYUSDP-UGKGYDQZSA-N	423.557	3.607	10	20	HHCD	
Cc1ccnc(C)c1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	806535061	LOICKQNUXDEQBY-UHFFFAOYSA-N	408.424	3.876	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CCC(CCc2ccc(O)cc2)CC1)c1ccc(N(C)C)cc1	807670670	IFBHZUYAEDHPST-SFHVURJKSA-N	423.557	3.507	10	20	HHCD	
CC(C)(C)OC(=O)Nc1cnc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1	807840577	DZQCIVYNPHFTIV-UHFFFAOYSA-N	413.261	3.766	10	20	HHCD	
COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(OCc3ccccc3)cc2O)C1	809695348	IBGWXJNOWDATED-HXUWFJFHSA-N	409.404	3.899	10	20	HHCD	
COc1cc(Br)cc(CN(C)CCc2nc(-c3ccccc3)no2)c1O	809701860	MWXXJMSQSQEHHW-UHFFFAOYSA-N	418.291	3.888	10	20	HHCD	
Cc1cc(Br)c(O)c(CNc2ccc(C(N)=O)cc2OCC(F)F)c1	811516470	VXAPXWNJMRONAD-UHFFFAOYSA-N	415.234	3.818	10	20	HHCD	
Cc1cccc(C(C)C)c1NNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	812266365	VPYWTEJQTQCKDM-UHFFFAOYSA-N	406.577	3.682	10	20	HHCD	
O=S(=O)(c1ccc2nc(O)oc2c1)N(Cc1ccccc1O)C1CCCCC1	819427766	SONZEWVOPRATKW-UHFFFAOYSA-N	402.472	3.763	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1occc1CS(=O)(=O)c1ccccc1	915082736	ZVTIXPXJFADYKR-UHFFFAOYSA-N	424.522	3.784	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC1CCN(C(=O)c2ccccc2F)CC1	916379859	UTEXRGUBPQFLAR-UHFFFAOYSA-N	424.520	3.530	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccccc3N3C[C@H](C)O[C@@H](C)C3)CC2)cc1	916696931	CSNQTTABDMMAIO-OALUTQOASA-N	424.545	3.663	10	20	HHCD	
CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1	917890445	XPYLCYOCORKPDY-UHFFFAOYSA-N	421.931	3.966	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)cc1	918455015	DYWVNJVQAXNFND-UHFFFAOYSA-N	421.419	3.781	10	20	HHCD	
O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1	918739490	CULKGUGXYNYZMI-UHFFFAOYSA-N	408.407	3.560	10	20	HHCD	
Cc1nc(COc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cs1	919766994	GLUPCMJQBVDLSB-UHFFFAOYSA-N	423.538	3.797	10	20	HHCD	
C[C@@H](NC(=O)Nc1cnn(Cc2ccccc2)c1)c1ccc(N2CCOCC2)cc1	920921378	DGDFLAQVTRLPJW-GOSISDBHSA-N	405.502	3.651	10	20	HHCD	
CC(C)N(CCc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1326469621	FOKYBZFIWSQPFS-QFIPXVFZSA-N	422.573	3.551	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccccc2)c(C)n1-c1ccccc1	7370937	ZRDHZJONNJVBFY-KRWDZBQOSA-N	404.466	3.639	10	20	HHCD	
CCOc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	54786381	TUTHWEHEDLWDJC-HSZRJFAPSA-N	409.530	3.969	10	20	HHCD	
CC(C)c1n[nH]c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1Br	111154561	FJTZVGKMEJITHK-UHFFFAOYSA-N	423.380	3.779	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CCCN2c2ncnc3sccc23)C2CC2)cc1	728465303	MMSPPZWKEXBPHA-HXUWFJFHSA-N	421.570	3.917	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)/C=C\c3ccccc3)ccc21	728762713	YYJISVXEMXJAKS-KAMYIIQDSA-N	412.511	3.635	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1	728981258	WLAXJYDNURKYLT-DOTOQJQBSA-N	404.466	3.784	10	20	HHCD	
C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)S(=O)(=O)c1ccc(F)cc1	729174940	RQWKHJZAWNVRDS-INIZCTEOSA-N	418.534	3.635	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(Br)c3O)CC2)cc1	730279550	DVRXBNDUXPUTAG-UHFFFAOYSA-N	405.292	3.516	10	20	HHCD	
Cc1nc(C)c(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	731051196	SAAMHEGLGYCCJT-UHFFFAOYSA-N	424.517	3.872	10	20	HHCD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1	732241519	LCYCUVWFEUFMKQ-IBGZPJMESA-N	418.651	3.940	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1(c2ccc(Cl)cc2)CC1	732701216	LOPYSCCIEQRKLQ-UHFFFAOYSA-N	417.912	3.929	10	20	HHCD	
C[C@@]1(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCc2ccccc21	734215824	JAKQMZTUYOEXGG-XMMPIXPASA-N	411.521	3.838	10	20	HHCD	
COCCOC1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	735062037	RWGATKXUBFZAEK-UHFFFAOYSA-N	404.938	3.944	10	20	HHCD	
NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1Cl	740942787	AAAYUMJOPIKFTM-UHFFFAOYSA-N	407.923	3.620	10	20	HHCD	
CCN(C)c1ccc(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1	741753161	PUVDTXXFATUERG-UHFFFAOYSA-N	400.954	3.552	10	20	HHCD	
Cc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742335286	ZJSJQHSLJDMELP-QGZVFWFLSA-N	410.486	3.685	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	742468540	IXFNAYMZIUMDRG-UHFFFAOYSA-N	405.458	3.701	10	20	HHCD	
Cc1cnc([C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)s1	743565414	WHEMXEZDGZYFCJ-HNAYVOBHSA-N	400.548	3.800	10	20	HHCD	
CC(=O)N[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(Cl)cc1	743719237	VGLTUMDMLXEECU-HXUWFJFHSA-N	400.906	3.808	10	20	HHCD	
CCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1cc(Br)ccc1O	744426314	RFCKWAIVOWCBPQ-UHFFFAOYSA-N	423.355	3.646	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](Cc4ccccc4)C3)cc2F)CC1	745807625	GABQFJFAGIMTHB-JOCHJYFZSA-N	424.564	3.742	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1	745829520	YAAQUFPEQRLOLR-INIZCTEOSA-N	403.527	3.519	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	745859677	CRKOMDMEGGLOLR-UAGQMJEPSA-N	411.340	3.890	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1F	746805017	FYUZNGKRRNCAMG-UHFFFAOYSA-N	423.941	3.775	10	20	HHCD	
Cc1nc(-c2ccc(NC(=O)C(=O)NCCCSc3nccs3)cc2)cs1	749730423	PPCLRASVVJGSLI-UHFFFAOYSA-N	418.569	3.812	10	20	HHCD	
COc1cccc(OC)c1OC1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	750817846	WJDRCBAEVVLQQI-UHFFFAOYSA-N	403.450	3.795	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C)[nH]c1C(=O)OC	752706655	HHZDNTAKHDAAFU-UHFFFAOYSA-N	410.268	3.632	10	20	HHCD	
CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cc(C)n(-c3ccccc3C)c2C)cn1	754450598	SMRKPSBTUIXDND-SMSORMJASA-N	424.570	3.565	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	754455687	YVGYFTAFVKZZGT-UHFFFAOYSA-N	402.426	3.509	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CSc3nc(-c4ccccc4)no3)CC2)cc1	755228779	YGJDMXCRZULICY-UHFFFAOYSA-N	424.526	3.623	10	20	HHCD	
C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc2ccccc2c1O	756480154	RIRQZWCPRYMQLU-CQSZACIVSA-N	404.919	3.828	10	20	HHCD	
COC1CCN(C(C)(C)CN[C@H](C)c2cc(Br)cc(F)c2O)CC1	756556309	WFFQBBKYAZBBES-GFCCVEGCSA-N	403.336	3.834	10	20	HHCD	
C[C@@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)c(F)cc1O	756604188	MENISXIUQNWBEN-VLIAUNLRSA-N	423.326	3.581	10	20	HHCD	
Cc1ccc([C@@H](C)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c(O)c1	756608122	HDAVIUHPDSDUGT-MRXNPFEDSA-N	408.589	3.830	10	20	HHCD	
CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	757631839	AOOMMYSCNFOSDE-AEFFLSMTSA-N	409.571	3.602	10	20	HHCD	
Cc1noc(C[C@@H](NC(=O)NCCCSc2nccs2)c2ccccc2)n1	759003383	ONMCCVLWWADMHH-OAHLLOKOSA-N	403.533	3.600	10	20	HHCD	
CC[C@@H](c1ccc2c(c1)OCCO2)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761130238	XZWJKAVOOIGZFX-INIZCTEOSA-N	416.861	3.732	10	20	HHCD	
COc1cc(N2CCN([C@@H](C)CCc3cccc(F)c3)CC2)cc(OC)c1OC	761218752	HDTQDAPMYFDYCY-KRWDZBQOSA-N	402.510	3.995	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	761578671	VWYPEPSMAJSAPB-OWCLPIDISA-N	415.465	3.767	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(-n3c(C)nnc3S)c2)c(C)n1-c1ccccn1	763255715	ZDCSTKBBBFCJNL-UHFFFAOYSA-N	404.499	3.919	10	20	HHCD	
O=C(NCc1ccnc(N2CCCCC2)c1)NCc1cccc(Br)c1O	764763541	NCBXUIFVLXEFAU-UHFFFAOYSA-N	419.323	3.539	10	20	HHCD	
C[C@@H](NCc1ccnc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)c(F)c1	764926332	JRWPBAXCZIYISI-CQSZACIVSA-N	413.415	3.849	10	20	HHCD	
C[C@@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccc(N2CCCCC2)c(F)c1	765281671	VUBTTWYDHIEGIS-GOSISDBHSA-N	419.566	3.586	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1	765378584	APRZFHJCZHZRKE-OAHLLOKOSA-N	418.335	3.575	10	20	HHCD	
CC(C)(C(=O)NCc1cccc(Br)c1O)c1ccc([N+](=O)[O-])cc1F	765750267	FNSZHFUWCPFXRF-UHFFFAOYSA-N	411.227	3.796	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(-c2ccncc2)c1	765979124	IOHXGADTSKYMIZ-LJQANCHMSA-N	421.566	3.834	10	20	HHCD	
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	766878801	HGSBBLBEFNAISD-SFTDATJTSA-N	421.557	3.522	10	20	HHCD	
Cn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(C(C)(C)C)n1	769551543	NFYYRXMQPJNLAR-NTEUORMPSA-N	401.513	3.822	10	20	HHCD	
C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771058781	NWDUDTNSDKCTLR-WMLDXEAASA-N	405.951	3.702	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1	771300633	BUZHFSQMAKVRMP-UHFFFAOYSA-N	413.537	3.951	10	20	HHCD	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1cc(Br)ccc1O	771407863	PBMONFFSQNXJJG-CQSZACIVSA-N	415.328	3.807	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C[C@H](O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	772609762	OUWIICSRKCYZLE-ZSDSOXJFSA-N	420.912	3.833	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2OCC(F)F)cc1	774145276	MHEAWFZUIBCAFN-UHFFFAOYSA-N	423.435	3.571	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c1O	774820111	VVJPPCCNZNPWOJ-UHFFFAOYSA-N	400.431	3.983	10	20	HHCD	
COc1cc(Br)cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1	775292458	ZZOCCILILOUQMY-UHFFFAOYSA-N	400.294	3.889	10	20	HHCD	
C[C@H](NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	775404219	MAZYKGJDNARXHT-PAJXCOJRSA-N	414.509	3.796	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(I)ccc2C)c1	775862359	HKMOUQBPVHSEKJ-UHFFFAOYSA-N	412.227	3.636	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1	776245704	NDVOBNBOBHOKOC-CVEARBPZSA-N	423.479	3.983	10	20	HHCD	
CN(C)CCOc1ccc(/C=C\C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	776677059	SMUHYNYSHNDVKA-LKAWRWRFSA-N	424.541	3.554	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cncnc3-c3ccccc3)cc2F)C[C@H](C)O1	777849419	SFIRNTYYXAUZKM-IRXDYDNUSA-N	420.488	3.826	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1OC	784109881	ZBQZNTHXWSCJDE-UHFFFAOYSA-N	411.502	3.838	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3ccc(F)c(F)c3F)CC2)cc1	784487465	OKTBONDYBHGTNW-UHFFFAOYSA-N	407.436	3.577	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H](c2ccccc2)c2ccco2)C2CC2)cc1	785550150	LLCWUANLMBUHKZ-QHCPKHFHSA-N	417.509	3.742	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C3CCOCC3)C[C@H]2C)c(C)n1-c1cccc(F)c1	785979067	AXMGBPYUSHGFOX-GOSISDBHSA-N	413.537	3.601	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCCOCC(F)(F)C(F)(F)F)cs2)cc1	787785275	BEOFFSWTMCNION-UHFFFAOYSA-N	410.364	3.687	10	20	HHCD	
CN1CCN(C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)c2ccccc2)CC1	792880699	CAAYTEJMFVADEC-QFIPXVFZSA-N	420.523	3.850	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(F)c(N3C(=O)CNC3=O)c2)c(C(F)(F)F)c1	793360232	TZMKDYDXWJDAJY-UHFFFAOYSA-N	410.371	3.579	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c1C	794303060	XBQKTAUCPGOART-UHFFFAOYSA-N	420.444	3.850	10	20	HHCD	
CC(C)(C)c1cc(CNC2CCC3(CC2)NC(=O)NC3=O)c(O)c(C(C)(C)C)c1	796515992	ONDMXJHTZSNLRY-UHFFFAOYSA-N	401.551	3.598	10	20	HHCD	
CN(C)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Br)cc1	797441336	BQGIBJJHDJEJNE-UHFFFAOYSA-N	403.729	3.647	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C	797631867	MOJKEDBZFFZDPF-CQSZACIVSA-N	400.475	3.735	10	20	HHCD	
Cc1ccc(C2(CNC(=O)C(=O)NCCCSc3nccs3)CCC2)cc1C	806278926	ZQCPNIDVSRQNDH-UHFFFAOYSA-N	417.600	3.596	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c(C)c1OC	806549717	VVCXDFFAWJOWFI-GZTJUZNOSA-N	400.525	3.851	10	20	HHCD	
C[C@H](NCCCn1cc(Br)cn1)c1cc(Br)c(F)cc1O	806660268	UMTQHYAEKFJLQG-VIFPVBQESA-N	421.108	3.994	10	20	HHCD	
Cc1ccc([C@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	807244440	ZSHATNYLCKUYDM-HXUWFJFHSA-N	407.558	3.864	10	20	HHCD	
Cc1cc(Br)c(O)c(CNCc2ccncc2OC[C@H]2CCOC2)c1	808436184	PZBBRSKXQRCBJJ-AWEZNQCLSA-N	407.308	3.563	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)C2CC2)cc1	809195425	JNOZHKZAQLFPEE-CTNGQTDRSA-N	423.532	3.835	10	20	HHCD	
CCc1c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)ccn1C	810448494	KCSQKEQVHHAHEO-IBGZPJMESA-N	414.550	3.649	10	20	HHCD	
CCCN(CC)C[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	811976610	DIORXCMNQUAOBP-INIZCTEOSA-N	412.525	3.676	10	20	HHCD	
CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	812433021	HYHUAZDSZACEQB-VLCRHTCISA-N	413.562	3.884	10	20	HHCD	
CN(C)CCOc1ccc(/C=C/C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	813684384	PNJKOJVSYFXDEU-VMPITWQZSA-N	409.313	3.969	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1	915749680	YCBKYAWSZRBUOO-UHFFFAOYSA-N	405.498	3.790	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	917390661	VSARULHEHHNCMP-UHFFFAOYSA-N	407.417	3.941	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1C	917658925	HZHGJOGHPZJVDY-UHFFFAOYSA-N	420.575	3.686	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccc(Cn3cccn3)cc2)C2CC2)cc1	918061281	KDMLOVAPZQSYSH-UHFFFAOYSA-N	403.530	3.872	10	20	HHCD	
C[C@@H](NC(=O)N1Cc2ccc(O)cc2C2(CC2)C1)c1ccc(N2CCOCC2)cc1	1324049968	VQBBFDVUBMALNX-QGZVFWFLSA-N	407.514	3.547	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Cn2ccnc2[C@@H](O)c2cccnc2)c1C	1324147984	PWWSYGUQHRSSQZ-QHCPKHFHSA-N	400.482	3.959	10	20	HHCD	
CCc1nc(C(=O)Nc2c(Cl)ccc3nonc23)nn1-c1ccccc1Cl	1329520858	ZWPLYMVBWAKVMF-UHFFFAOYSA-N	403.229	3.925	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1nc(C(C)(C)C)cs1	1338672681	VWXLXVHWLNNDRQ-HNNXBMFYSA-N	402.564	3.838	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(OCC(F)(F)F)n2)cc1	1339381620	GBEFUVIBLAXCQK-UHFFFAOYSA-N	410.440	3.868	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1C	11312768	XWWKUSUNZIYXOD-GOSISDBHSA-N	408.502	3.937	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3	18952046	AYQFCCODLNCDLC-UHFFFAOYSA-N	420.509	3.732	10	20	HHCD	
COCCn1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc21	65598120	AJUTWUWUBUHAQK-SFHVURJKSA-N	407.514	3.615	10	20	HHCD	
COc1ccc([C@@H]2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)C2)cc1	216547842	YPLFTMZYCZQGKB-HXUWFJFHSA-N	411.571	3.948	10	20	HHCD	
COc1ccc([C@@H](NCc2ccc3c(c2)CCO3)c2cccc(S(C)(=O)=O)c2)cc1	237337487	YSOUYBICNIFIII-XMMPIXPASA-N	423.534	3.913	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CC3(CCC3)c3c(F)cccc32)cc1	726291137	RZMRSELRLHWPPJ-UHFFFAOYSA-N	409.505	3.757	10	20	HHCD	
Cc1cc(C(=O)NCCCc2cnn(C)c2)c(C)n1-c1cccc(Br)c1	726785402	IMPWLYFMSGZDRV-UHFFFAOYSA-N	415.335	3.953	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNCc2cccc(S(=O)(=O)NC)c2)cc1	727469033	OAAPQBSDJRVUJE-UHFFFAOYSA-N	423.582	3.911	10	20	HHCD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	727850722	HZTVQYOBJUZXFO-SVFBPWRDSA-N	400.567	3.546	10	20	HHCD	
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cs1	728696845	GHXGWVBGVNJLNZ-UNOMPAQXSA-N	418.478	3.598	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(OCC4CC4)cc3)cc2F)CC1	730193132	DOARGIASJVONJO-UHFFFAOYSA-N	411.521	3.686	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccnc3C)c2C)cc1	731097254	SNOAMSFRBTUURL-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N[C@@H](c3ccccc3C)C3CC3)CC2)cc1	732823952	IUVLMOIBLURSRS-XMMPIXPASA-N	422.573	3.576	10	20	HHCD	
Cc1cc(C(=O)NCCCN2CCCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1	733976922	FGTUIDDGAFNBMP-UHFFFAOYSA-N	410.606	3.975	10	20	HHCD	
CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)n1nnc(-c2ccc(Cl)cc2)n1	734402063	FJGWVZIRQDPJAA-IBGZPJMESA-N	412.925	3.635	10	20	HHCD	
CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1	734942251	MGWZDTDFQRBFDL-UXHICEINSA-N	414.594	3.746	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)COC3CCOCC3)c2C)c1	735365053	ZQLKGTYUBBGDLK-UHFFFAOYSA-N	417.527	3.738	10	20	HHCD	
COc1cc2ccccc2cc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	739768946	XPERXEWZFWQXKJ-UHFFFAOYSA-N	403.482	3.802	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2CC[C@@H](CO)C2)sc(C)c1-c1ccccc1	740428395	SCJNDZQWOCSWGT-MRXNPFEDSA-N	416.543	3.543	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc32)NC(=O)OC(C)(C)C)cc1	742750436	NVEKNHWIRDOMFU-NHCUHLMSSA-N	409.530	3.775	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(=O)c2ccccc2o1	742798123	JZRHMMWOQIQJMZ-CQSZACIVSA-N	414.408	3.793	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)Oc2cccc(Br)c2)c1	743699585	ISSVDNXSXKSRER-OLZOCXBDSA-N	423.307	3.991	10	20	HHCD	
Cc1cc(C(=O)OC[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)n1-c1ccccn1	744228478	NZKQHYXXIMHFFS-FQEVSTJZSA-N	403.482	3.695	10	20	HHCD	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	750134344	ILPRWRGYGDFIFS-UHFFFAOYSA-N	406.486	3.842	10	20	HHCD	
CCc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)[nH]c(C)c1C(C)=O	751405222	JPFBTGFXEUZKGV-FQEVSTJZSA-N	411.546	3.976	10	20	HHCD	
CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N(CC)Cc1ccc(N(C)C)cc1	752705222	QJEWTQZQXWBEHW-LJQANCHMSA-N	417.575	3.537	10	20	HHCD	
Cc1c(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnn1-c1ccccc1	754552904	SNRATJFHINJGQD-UHFFFAOYSA-N	422.444	3.532	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cnc(Cc2ccccc2)s1	756535506	NQCHYQMWWAKBMH-UHFFFAOYSA-N	423.538	3.615	10	20	HHCD	
C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1O	756572874	JPRPUOVVRFIEFP-KBPBESRZSA-N	403.454	3.812	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(-c2nc(Cc3ccccc3)no2)c1)c1cccs1	758293098	YGUJWFUFLPHCLO-UHFFFAOYSA-N	413.480	3.895	10	20	HHCD	
C[C@H](NC[C@@H](CO)Cc1ccc(Br)cc1)c1cc(F)cc(F)c1O	760034336	MTVNODOXRPGOLW-AAEUAGOBSA-N	400.263	3.935	10	20	HHCD	
C[C@@H](CCc1ccc2c(c1)OCO2)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761002529	UJCSUJQZUPZVFP-ZDUSSCGKSA-N	416.861	3.560	10	20	HHCD	
CCN(Cc1ccccn1)[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	764292828	MUGMJEMOIZHVIS-MRXNPFEDSA-N	413.477	3.706	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)n2)cc1	764526183	LODHSYTVDSMCOE-UHFFFAOYSA-N	411.512	3.808	10	20	HHCD	
CC(C)Oc1cncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	764923901	FKZLMFNUASZORO-IYBDPMFKSA-N	401.482	3.552	10	20	HHCD	
Cc1c([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)nnn1-c1ccc(F)cc1	765297090	NNUNSUYMDZIYGW-KRWDZBQOSA-N	423.536	3.774	10	20	HHCD	
C[C@@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)cc1Cl	766031022	ICMXVSLJPGANAF-SJLPKXTDSA-N	413.949	3.912	10	20	HHCD	
O=C(CN1CCN(Cc2cc3c(cc2O)CCCC3)CC1)Nc1ccccc1Cl	768440683	BEPVJVWZOORIAU-UHFFFAOYSA-N	413.949	3.681	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCSCC(F)(F)F)cc2F)C[C@@H](C)O1	769711970	JYJMJPPSFJWEFB-BETUJISGSA-N	423.476	3.534	10	20	HHCD	
O=C(c1cccc(NCc2ccc(N3CCOCC3)cc2)c1)N1CCCC[C@@H]1CCO	770525661	YEYSVOSHRWBBPP-XMMPIXPASA-N	423.557	3.512	10	20	HHCD	
Cc1c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cccc1OCC(F)(F)F	773847878	PIBBQLGFYHFKNI-CQSZACIVSA-N	423.435	3.818	10	20	HHCD	
CC[C@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)c(Cl)c1O	775500881	MCBKOCXSCRBWLW-YWZLYKJASA-N	422.312	3.995	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2ccc(Br)cc2O)cc1	775565049	BYJPFIJCAFXAQJ-UONOGXRCSA-N	412.349	3.976	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CSc3nncs3)c2C)c1	775969529	PLEAZFVDECCOFQ-UHFFFAOYSA-N	401.513	3.772	10	20	HHCD	
CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nc(-c2ccccc2)c(C)s1	778661937	URVIIQDOPFCBAN-UHFFFAOYSA-N	406.485	3.861	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)c(C)n1-c1ccc(Cl)cc1	779080098	POPNWRDJTFAJDR-QUCCMNQESA-N	400.906	3.958	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2nc(Br)cs2)cc1	779617244	AVYLSODGTOXXED-OAHLLOKOSA-N	424.364	3.793	10	20	HHCD	
COc1cccc(C(=O)NCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1	782609530	ZRAQNZRRZNZTPZ-UHFFFAOYSA-N	409.530	3.510	10	20	HHCD	
O=C(Nc1cccc(-c2nnco2)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1	782895547	AKWXOQKPXCEKFQ-UHFFFAOYSA-N	420.469	3.742	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)cc1	784109259	UCHRYQZTYCYDAC-UHFFFAOYSA-N	406.408	3.845	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)cc1	785438941	ICSCULOGQHRLCM-UHFFFAOYSA-N	415.484	3.618	10	20	HHCD	
CC/C(=C\C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccc(C)cc1	786259979	TWYNKZDMPIBWEE-OQKWZONESA-N	405.542	3.773	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1	789024878	LSMJCHBKKFEYDJ-KRWDZBQOSA-N	410.518	3.920	10	20	HHCD	
CCNC(=O)COc1cccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)c1	792920169	PRQHRYPTIOWKOE-UHFFFAOYSA-N	409.452	3.576	10	20	HHCD	
Cc1cccc(CCNCc2cc(Br)cc(Br)c2O)n1	793202350	HNBXRYZWJHLGNN-UHFFFAOYSA-N	400.114	3.953	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1	793797469	RWQFCJZKUJYOQE-CYBMUJFWSA-N	411.404	3.968	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3ccnn3-c3ccc(F)cc3)SC2=S)cc1	794859659	ZFFZBUNNFAVWCJ-GZTJUZNOSA-N	424.482	3.516	10	20	HHCD	
COCCOc1ncccc1CNCc1ccc2c(c1)CCN2Cc1ccccc1	796263204	ICTZCGKBGIAJHH-UHFFFAOYSA-N	403.526	3.959	10	20	HHCD	
COc1ccc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)c(O)c1	796349918	GEFJUBBZQKQCTN-UHFFFAOYSA-N	416.433	3.965	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c(O)c1	797648605	AAWQYEWTPNRJTC-ZDUSSCGKSA-N	406.866	3.791	10	20	HHCD	
C[C@H](NCc1ccncc1OCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	798939633	RFTKFBDFNBBMHW-AWEZNQCLSA-N	413.415	3.849	10	20	HHCD	
COc1ccc(O)c([C@@H](C)Nc2cnc(N3CCOCC3)c(Br)c2)c1	798940714	MRLNEIXQSCSMQP-GFCCVEGCSA-N	408.296	3.568	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC)cc1	801545165	IKQJWYPAHRACCX-KRWDZBQOSA-N	418.559	3.912	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](OC)C1	802347823	VRSRGVUBNBXOON-HXUWFJFHSA-N	409.534	3.614	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@]4(C)[C@@H](C3)C4(Cl)Cl)CC2)cc1	806683937	OTRLFDAXLPPXFZ-IEBWSBKVSA-N	412.361	3.889	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(c2ccccc2)CCCC1	808694381	CXKIFFPGVZKVLJ-HXUWFJFHSA-N	412.599	3.912	10	20	HHCD	
Cn1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)n2)cn1	809965929	PZXKBNXTLXCISH-UHFFFAOYSA-N	413.441	3.698	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(C)cnc3Br)CC2)cc1	813004687	OIHVKBDQNBBMOM-UHFFFAOYSA-N	419.323	3.952	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H](c1ccccc1)C1CC1	814419904	CDZWDQGNTBHRQU-NRFANRHFSA-N	411.521	3.780	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)Cc3cnc4ccccc4n3)CC2)cc1	815073436	NHSOSPUIZDUCLM-GOSISDBHSA-N	404.514	3.556	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cc(F)cc(F)c1F	815371023	FUSDDHKXUBKYMZ-UHFFFAOYSA-N	405.420	3.691	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@@H]2C)cc1	815593535	PLFGVFNSMQEHAE-HRAATJIYSA-N	423.513	3.531	10	20	HHCD	
COCCc1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1	914850961	QPEXLMQSPKIHNK-UHFFFAOYSA-N	400.525	3.898	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2	919566684	USFCJYWWQNNIKM-CQSZACIVSA-N	424.478	3.915	10	20	HHCD	
FC(F)COc1ccnc(CNC(=S)Nc2ccc(Br)cc2)c1	1337622928	IEWHHPRAZSMUCK-UHFFFAOYSA-N	402.264	3.975	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1nc(C(F)(F)F)cs1	1339381103	AIEFUBQZHSWDFU-GFCCVEGCSA-N	402.461	3.904	10	20	HHCD	
CCC1=S=C(C(=O)Nc2ccc(N=S(C)(C)=O)cc2)C=C1Br	1460442746	ITWBQYPTZWLQRE-UHFFFAOYSA-N	401.351	3.765	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)C3(F)CCC3)C2)cc1	1846752596	IROJJLKXDJHSDK-UHFFFAOYSA-N	409.505	3.803	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)c(C)n1-c1ccc(F)cc1	72053816	VDSDRXAZMVYDGB-IBGZPJMESA-N	403.523	3.615	10	20	HHCD	
C[C@H]1C[C@H](C)CN(CCCCNC(=O)NCc2ccc(N3CCSCC3)cc2)C1	108011232	GYLGZPRCLXUCKW-PMACEKPBSA-N	418.651	3.797	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)n(C)c2ccccc12	507492334	FAYKCECVXVXRRI-GOSISDBHSA-N	405.498	3.522	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)n(C)c2ccccc12	583773463	YPHFYQXGIWRGSD-HKUYNNGSSA-N	407.489	3.695	10	20	HHCD	
COc1cccc(O)c1CNC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1	725846095	UDUNDWLNNYGMDX-KBXCAEBGSA-N	408.901	3.745	10	20	HHCD	
CCc1cccc2c1OCC[C@H]2NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	725875355	FIQDBOIMAOBMFX-HXUWFJFHSA-N	413.493	3.548	10	20	HHCD	
O=C1OC(c2ccccc2OC(F)F)=N/C1=C/c1ccc(N2CCOCC2)c(F)c1	727290585	OTFFRCCYGLTUND-FOWTUZBSSA-N	418.371	3.608	10	20	HHCD	
CCCN(CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)Cc1ccccc1O	727831254	RBUHSWJFDBMQDW-UHFFFAOYSA-N	424.541	3.961	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)N3CCCCCC3)ccc21	728637028	GVINCFIYWJKFSA-SFHVURJKSA-N	400.519	3.852	10	20	HHCD	
CNC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1	728680921	LCHJQEWKJFAFEB-UHFFFAOYSA-N	417.425	3.652	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)ccc1[N+](=O)[O-]	728836892	HOSOYGKTGPFZFK-UHFFFAOYSA-N	411.380	3.874	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)C(C)(C)c3ccccc3Cl)CC2)cc1	728863095	XKTIOHQHAYSJDD-UHFFFAOYSA-N	415.965	3.565	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)c1	729037641	WJKIDTMCZGIMQN-CQSZACIVSA-N	413.474	3.809	10	20	HHCD	
Cc1c(C(=O)N(C)Cc2ccccc2O)cnn1-c1cccc(Br)c1	730033394	XLCSMTAMLNQGBZ-UHFFFAOYSA-N	400.276	3.921	10	20	HHCD	
CCOc1ccc2cc(C(=O)NCc3ccc(N4CCN(CC)CC4)c(F)c3)[nH]c2c1	730235206	OOVFUGHKUOBGQH-UHFFFAOYSA-N	424.520	3.778	10	20	HHCD	
COCCOc1ccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1	730593993	XZUXGMIBYFCRNW-SFQUDFHCSA-N	408.589	3.501	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCC(=O)N3CCCc4ccccc43)cc2)CC1	731120201	QCNSBBYJJYATSZ-UHFFFAOYSA-N	420.557	3.702	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2ccc(C(=O)OC)cc2)cc1F	731401382	DNNBYTJGGINHST-UHFFFAOYSA-N	401.482	3.500	10	20	HHCD	
COc1ccc(C)cc1-n1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	731859381	UMLHBXVQZSMLHU-LJQANCHMSA-N	421.497	3.716	10	20	HHCD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	732469729	OJMOWBMUODMGAS-FPOVZHCZSA-N	417.594	3.983	10	20	HHCD	
COc1ccc(Br)cc1CNC(=O)NCc1ccc(N(C)C)cc1C	734523233	DAQIIROKSXSTLP-UHFFFAOYSA-N	406.324	3.832	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)c1	735179532	OHQGYDNMGBPWIO-AWEZNQCLSA-N	401.463	3.918	10	20	HHCD	
CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(N4CCCCCC4)c3)ccc21	740801099	OLSLWZPYKTTXMW-UHFFFAOYSA-N	413.543	3.641	10	20	HHCD	
CCOc1cccc(NC(=S)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	742986598	NZAFADVYQWPUBK-UHFFFAOYSA-N	403.523	3.672	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)NC)cc1	743078528	KOXVWKGZIPQNFG-UHFFFAOYSA-N	406.280	3.568	10	20	HHCD	
COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	743564904	QRHOZVYDQQIFRG-RTBURBONSA-N	411.546	3.865	10	20	HHCD	
COc1ccc([C@@H]2[C@@H](C(=O)NCc3c(O)ccc4c3CCCC4)CCC(=O)N2C)cc1	743717749	GBFKSQOLTOBXSZ-GBXCKJPGSA-N	422.525	3.506	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)CN1CCCCC1	745680103	GCYXWXKDWHBGLL-HNNXBMFYSA-N	412.372	3.808	10	20	HHCD	
CC[C@@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1ccccc1OC	753911386	HZZIETNZXIZOOJ-LJQANCHMSA-N	401.482	3.826	10	20	HHCD	
CC(=O)N1CCc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc21	754538003	RMTZTLIRZWOJGL-UHFFFAOYSA-N	410.429	3.623	10	20	HHCD	
Cc1ccc([C@@H](CN[C@H](C)c2cc(Br)ccc2O)N2CCOCC2)o1	756363395	GFLVUEUWPMHAHR-RHSMWYFYSA-N	409.324	3.780	10	20	HHCD	
CCNC(=O)COc1ccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)cc1OC	756433799	PANRHQMBYWCYBU-INIZCTEOSA-N	412.530	3.645	10	20	HHCD	
C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cc([N+](=O)[O-])ccc1O	756774142	GQCXAAVWSUXHAZ-MRFFXTKBSA-N	405.882	3.676	10	20	HHCD	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)NCc1ccc(N2CCOCC2)cc1	758716265	ZCAOASDEEFRVCA-HNNXBMFYSA-N	401.457	3.630	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)cc(OC)c1OC	759219572	DGUXZHUCPCZZGW-GUDVDZBRSA-N	416.562	3.968	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1C	760659692	YHMGMJVMRRATFX-RTWAWAEBSA-N	402.560	3.830	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C1(c2ccc(F)cc2F)CCCC1	761146347	OLUCDFIBYGSPQG-UHFFFAOYSA-N	400.469	3.930	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(N2CCOCC2)cc1	763378232	DBBAGHZCYZRZBO-QVKFZJNVSA-N	417.912	3.772	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3csc(C(C)(C)C)n3)CC2)cc1	765758231	INQBGLPMTQVCET-UHFFFAOYSA-N	416.591	3.914	10	20	HHCD	
C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc2ccccc2c1O	765823072	ROBNHQOUXZSJRZ-FDDCHVKYSA-N	404.510	3.666	10	20	HHCD	
Cc1c(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1CC(C)C	766529988	KJCMVLSFJGVNNA-HZPDHXFCSA-N	417.529	3.922	10	20	HHCD	
CCOC(=O)c1cnc(C)c(C(=O)N(CC)Cc2cc(Br)ccc2O)c1	767711118	GEIMRAQJOQHZNA-UHFFFAOYSA-N	421.291	3.697	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](CO)c1cccc(Br)c1	769527453	HUKGIUOJWMRZTK-FQEVSTJZSA-N	423.326	3.590	10	20	HHCD	
CC(=O)c1cccc(OCc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)no2)c1	770617703	CEWZTISMIOFSFM-UHFFFAOYSA-N	407.470	3.794	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	773618400	PVNTVYAQLQAQHL-KSSFIOAISA-N	400.910	3.572	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1O	774984139	RPLMDJKKSIZHSJ-UHFFFAOYSA-N	422.363	3.803	10	20	HHCD	
CC[C@H](NCc1cccc(OCC(=O)NC)c1)c1cc(Br)ccc1O	775494307	ZMYVPBLSOQOKDO-KRWDZBQOSA-N	407.308	3.520	10	20	HHCD	
CC[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cc(Br)ccc1O	775498402	YXVDJLMSSNNWAB-INIZCTEOSA-N	413.337	3.767	10	20	HHCD	
CC[C@H](NCCCNC(=O)c1cccc(O)c1)c1cc(Br)ccc1O	775500344	IEMWUVHZFFFTPI-KRWDZBQOSA-N	407.308	3.721	10	20	HHCD	
COCc1noc(COC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1	777071049	SFQXDCAABKHGIX-UHFFFAOYSA-N	420.263	3.743	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H]1C1CCOCC1	777737126	LACUJVXRBFEJDM-HXUWFJFHSA-N	423.504	3.857	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2cccc(CS(C)(=O)=O)c2)c1O	779020050	VBLKCIJIHJVDJF-ZDUSSCGKSA-N	412.349	3.859	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1	779518098	WKWJCWYEOGKJNH-DPCFLFMUSA-N	404.507	3.701	10	20	HHCD	
O=C1c2ccccc2C(=O)N1C1CCC(NCCCSc2nccs2)CC1	780530611	ULIVJNCIERCUAT-UHFFFAOYSA-N	401.557	3.822	10	20	HHCD	
Cc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c(O)c1O	780902315	BTVTZXKNFPGKON-LJQANCHMSA-N	403.438	3.702	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1	784563021	CVVGZPOOSCJEAZ-INIZCTEOSA-N	414.527	3.592	10	20	HHCD	
O=C(NCc1cc(F)ccc1F)C(=O)N(Cc1ccccc1O)C1CCCCC1	787042391	WQCKIJIJKOZCLV-UHFFFAOYSA-N	402.441	3.648	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2cccc(OC)c2)cc1	788965299	DTSWFBVHBKSPNJ-QFIPXVFZSA-N	409.530	3.521	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c(O)c1	792827665	PMBWYLDSKRNUBE-SFHVURJKSA-N	421.900	3.830	10	20	HHCD	
CC[C@H](c1ccccc1)c1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C	800729484	WOCAGIIUZCZALF-LJQANCHMSA-N	409.509	3.831	10	20	HHCD	
O=S(=O)(c1c(Cl)ccc(F)c1F)N(Cc1ccccc1O)C[C@H]1CCCO1	805009611	SXSUDVWHDICWFI-CYBMUJFWSA-N	417.861	3.694	10	20	HHCD	
COc1cc(C)c(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)c1C	806763142	MLNQWXZVHSWGIF-IBGZPJMESA-N	424.545	3.644	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cccc(F)c3Cl)CC2)cc(OC)c1OC	806771268	BXINAZZSXXMEKQ-UHFFFAOYSA-N	423.872	3.859	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1F	807289347	QTLXMOHFKHJXRW-OAQYLSRUSA-N	413.468	3.615	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cncc(C(F)(F)F)c3)cc2F)C[C@H](C)O1	808281954	UKIWSCIICRRADS-STQMWFEESA-N	411.399	3.783	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc2ccccc2cc1Br	813513396	MEXMVNXCZKQXHA-NSHDSACASA-N	401.260	3.770	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc2ccccc2n(C)c1=O	813835120	LLLZAGXNAHRGST-UHFFFAOYSA-N	406.530	3.725	10	20	HHCD	
O=S(=O)(NCCCNCc1ccc2ccccc2c1O)c1ccccc1Cl	816599008	YZXRMYIHPTYOKL-UHFFFAOYSA-N	404.919	3.657	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CCN(c2ccc(F)cc2)C1=O	820006314	SCDMUMLZPVAJJO-KRWDZBQOSA-N	415.428	3.527	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1	915259800	ZYGZTMOYFMQSLK-UHFFFAOYSA-N	411.502	3.922	10	20	HHCD	
O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(O)c(O)c1	916591220	BKYFEUYFDAJQOU-UHFFFAOYSA-N	422.393	3.658	10	20	HHCD	
CC(C)[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)N1CCCCCC1	918203198	XVXFCYJIBJKLLP-QFIPXVFZSA-N	418.651	3.940	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cnn(Cc4ccccc4)c3C)CC2)cc1	918369698	QPVUWYLMHQURDF-UHFFFAOYSA-N	404.514	3.601	10	20	HHCD	
Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c(C)n1-c1cccc(Cl)c1	919976383	MVXRJNPSAYFIBP-NRFANRHFSA-N	407.901	3.800	10	20	HHCD	
C[C@@H](NC(=O)N1CCCN(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	920872622	VJZQPCRXUSGDJR-HXUWFJFHSA-N	408.546	3.506	10	20	HHCD	
CC1CCN(C[C@H]2CCCN(Cc3ccc(N4CCN(C)CC4)c(F)c3)C2)CC1	1319948833	VGRNJKGDOKVFSD-JOCHJYFZSA-N	402.602	3.521	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cc3C)CC2)cc1	57548322	UFNYXNWXUIOVNW-UHFFFAOYSA-N	418.335	3.527	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	145603981	LHYVPJCOMXGOCE-MHECFPHRSA-N	419.525	3.665	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1	248077964	CCJOQMHJKGSJSV-UHFFFAOYSA-N	415.484	3.542	10	20	HHCD	
CCOC(=O)C1CCN(C(=O)CNc2cc3oc4ccccc4c3cc2OC)CC1	302806843	FXPMKFNJQGZNPV-UHFFFAOYSA-N	410.470	3.808	10	20	HHCD	
Cc1c(CNC(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)n(C)c2ccccc12	527454065	JZOZOAMDGHPUSR-NTKDMRAZSA-N	420.557	3.575	10	20	HHCD	
CCCNC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1Cl	541090793	VKLXMYJLRVPBAW-UHFFFAOYSA-N	416.909	3.977	10	20	HHCD	
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	726097969	RVRHICKMWWRFLY-FQEVSTJZSA-N	416.566	3.828	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(N4CCCCCC4)nc3)CC2)cc1	726564013	XVYYPUXRVJFQKJ-UHFFFAOYSA-N	408.546	3.869	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)n2)cc1C	727242139	SMPRDXKULKXLOT-UHFFFAOYSA-N	413.528	3.818	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(Cl)nc2sccn12	728583893	KQOLWPLUXCZMCP-UHFFFAOYSA-N	412.968	3.715	10	20	HHCD	
COc1cc(F)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC	730667088	OIDQOERZSGKWQM-UHFFFAOYSA-N	405.495	3.718	10	20	HHCD	
CN(C[C@H]1CCCOC1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	730792351	GSKYLOUFFWRYBU-DSQDWWTGSA-N	424.613	3.615	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)cc2)CC1	731017119	WXCFOQVUULKUJG-UHFFFAOYSA-N	420.962	3.910	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C	731342864	DEXUAUYBICBEEB-UHFFFAOYSA-N	414.513	3.852	10	20	HHCD	
C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1nc2ccccc2s1	732918649	KAAPLKQHPXLIGE-HZPDHXFCSA-N	410.543	3.811	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1	734016302	PTAUOABOMZYGNG-KRWDZBQOSA-N	423.296	3.629	10	20	HHCD	
CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc21	737380689	ILVYNXTWMIYCOD-UHFFFAOYSA-N	413.524	3.910	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	740919672	GVLXLABPCJYTMA-PXNSSMCTSA-N	414.550	3.508	10	20	HHCD	
CC(C)c1ccc(N2CC[C@@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C2=O)cc1	742951979	DXJWJYWBFZHJGL-HXUWFJFHSA-N	407.514	3.655	10	20	HHCD	
CC[C@@](C)(NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nccs1	744404452	RRKRYLBBLTVYRY-HSZRJFAPSA-N	419.506	3.772	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCC(F)(F)F)c(C)n1-c1ccc2c(c1)OCCO2	745519712	TZWIREIKCDHFTC-UHFFFAOYSA-N	411.376	3.934	10	20	HHCD	
C[C@H](Cc1ccc(O)cc1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745752395	DKBKFIMXGRZKSR-WBVHZDCISA-N	419.472	3.893	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1O	745814274	JNPXRWWXDIEGEP-QGZVFWFLSA-N	421.538	3.674	10	20	HHCD	
CN(C)c1ccc(CN/C=C2\C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1F	746691396	WHKJDEBZVSZBFK-CYVLTUHYSA-N	416.456	3.604	10	20	HHCD	
CCCCN1C(=O)CC[C@H](C(=O)NCc2ccccc2O)[C@@H]1c1ccc(OC)cc1	748346045	KWHSSJCWJMGHDS-REWPJTCUSA-N	410.514	3.797	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCCc3ccc(C)s3)cc2F)CC1	750827046	GFSONXHNWSBSFT-UHFFFAOYSA-N	403.567	3.977	10	20	HHCD	
Cc1cccc(-n2nnc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)c2C)c1	751300325	VZVIPLXCHWUMJI-UHFFFAOYSA-N	409.453	3.846	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(Br)cc(F)c1O	756449461	MLRJDWPMZVAVOV-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1O	756542520	AYZWDMLCNJRVSJ-HUUCEWRRSA-N	402.470	3.603	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1COc2c(Cl)cccc21)c1ccc(N2CCOCC2)cc1	757652030	JIMSNJHWYGNPEW-AUUYWEPGSA-N	401.894	3.671	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1	757829557	LLPSORUDGKKYGH-UHFFFAOYSA-N	415.449	3.721	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnn(CC(C)C)c1C(F)F	760886471	GAJPYZLNBMAEET-UHFFFAOYSA-N	421.492	3.530	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@](C)(O)c2ccccc2Cl)c1O	764979904	LENINVYDODJEQH-QGZVFWFLSA-N	400.700	3.814	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	766067219	GOBYLBNGNRJEIC-QRQCRPRQSA-N	420.937	3.578	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CCc2ccccc2)c2ccccc2)c1	769734940	OMOUPUVANQBTFR-UHFFFAOYSA-N	410.495	3.653	10	20	HHCD	
Cc1ccc(-c2csc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)n2)c(C)c1	769787004	XLZUMROYJPBGHY-UHFFFAOYSA-N	417.512	3.756	10	20	HHCD	
COc1cccc([C@@H](C)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	771062555	BDFZCTGOYHUPTQ-BEFAXECRSA-N	402.922	3.939	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1	774350254	ISZFZHMHYQYWTO-UHFFFAOYSA-N	408.785	3.688	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SC[C@@H]1CC(C(=O)OC)=NO1	774623047	UYZIQKORRVNEPO-ZDUSSCGKSA-N	424.320	3.743	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1)c1ccc(N(C)C)cc1	776239790	VLVVKPFPHDILMR-OALUTQOASA-N	408.546	3.665	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	777858723	BRUQWKJTWUBOGP-UHFFFAOYSA-N	417.531	3.676	10	20	HHCD	
CN(C)C(=O)c1ccc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)[nH]1	780775347	ULHQOWZWCUBYGW-UHFFFAOYSA-N	412.534	3.694	10	20	HHCD	
CN(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(OCc2ccccc2)cc1	781961507	UDHOPZLSBZWDCP-UHFFFAOYSA-N	401.466	3.687	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(O)(C(F)(F)F)CC1	783882430	YZSQDFZODPUMON-UHFFFAOYSA-N	420.391	3.956	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(N3CCNC3=O)ccc2C)cc1F	786269310	FGJFAOGZLMIMNE-UHFFFAOYSA-N	413.497	3.832	10	20	HHCD	
O=C(CCCc1ccc(O)c(F)c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	787131539	OATTUMDFRGRRAK-GOSISDBHSA-N	420.912	3.994	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2	788725411	HIPKFVUSCGTVSY-HXUWFJFHSA-N	413.562	3.892	10	20	HHCD	
CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	789455071	ACNDZVKDLREMQI-OAQYLSRUSA-N	409.461	3.532	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1C	789725752	BLCJKCOGXHBRQR-UHFFFAOYSA-N	418.953	3.743	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnn1-c1ccccc1	792237431	DJNPAYILAAYKER-SFHVURJKSA-N	410.905	3.626	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41	793347201	NRIZAXAMECTDIZ-IJIOMUBASA-N	414.496	3.767	10	20	HHCD	
Cc1cc2c(N3CC=C(CCN4C(=O)c5ccccc5C4=O)CC3)ncnc2s1	795243069	YNGWIKSAFVLFOW-UHFFFAOYSA-N	404.495	3.823	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(CS(C)(=O)=O)CC3)c2C)cc1C	795252867	GSXWTGFBFIKOGJ-UHFFFAOYSA-N	416.587	3.650	10	20	HHCD	
CC[C@@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccc(F)cc1O	796993861	LEWGBXMJMIGOBG-XXBNENTESA-N	411.477	3.997	10	20	HHCD	
COc1coc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1=O	798668229	GRFJDAHQQSVAOQ-UHFFFAOYSA-N	409.438	3.712	10	20	HHCD	
CSCCCN(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	798740198	NLJWREWWUASFKG-WYMLVPIESA-N	414.643	3.941	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCC(F)(F)c1ccc(Cl)cc1	804975083	CWVKUHVRNIKWNL-UHFFFAOYSA-N	409.864	3.768	10	20	HHCD	
CC(C)(C)OC(=O)NCCCN(Cc1cc2c(cc1O)OC[C@@H]2O)CC1CCCC1	808195912	LUVDYATWHQISCM-FQEVSTJZSA-N	420.550	3.725	10	20	HHCD	
Cc1ccccc1[C@H](c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1)C(C)C	809512958	QLJXLTHEDKFKRS-GOSISDBHSA-N	401.488	3.910	10	20	HHCD	
COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)C2	811868898	YVHAMDXAYIFYQS-SFHVURJKSA-N	421.541	3.850	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@@]3(CO)C[C@H]3c3ccccc3)cc2)CC1	812034939	DIPNLXNYQSNOMT-UKILVPOCSA-N	407.558	3.888	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(Cl)c(F)cc2O)cc1	816529890	LLCLYEPYPGLEKD-UHFFFAOYSA-N	400.903	3.505	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(CO)(c3ccccc3)CC2)c1O	816625107	RNRRZYCSRLMZFT-UHFFFAOYSA-N	406.320	3.689	10	20	HHCD	
COC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1	913164684	USKAHWDCBVWCGU-UHFFFAOYSA-N	419.319	3.882	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](C)c4ccccc43)cc2F)C[C@@H](C)O1	917056903	BQTXVAIGQWWYJU-RCCFBDPRSA-N	411.521	3.679	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSCc3ccccc3)cc2F)C[C@@H](C)O1	917169738	LZRSAYBXFLFWFC-CALCHBBNSA-N	402.535	3.989	10	20	HHCD	
CNS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	917927821	SRFAVELMCWVHTQ-UHFFFAOYSA-N	417.918	3.908	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Br)s2)cc1	917928092	TWGROPYBXOLDTR-UHFFFAOYSA-N	415.378	3.930	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3c[nH]c4ccccc34)cc2F)C[C@@H](C)O1	918150472	JHAJMQYJPUACCT-IAGOWNOFSA-N	424.520	3.963	10	20	HHCD	
O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	918739566	GYZLXOCUWXLSEM-UHFFFAOYSA-N	406.872	3.935	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2cccnc12	919908056	PNZWGVXMNNELDK-UHFFFAOYSA-N	424.476	3.665	10	20	HHCD	
CCOC(=O)/C=C\c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	920871439	KOUAOPNOHQUONZ-BXIWPEDZSA-N	423.513	3.982	10	20	HHCD	
Cc1cc(-c2nnc([C@H]3CCCCN3S(C)(=O)=O)o2)c(C)n1-c1ccccc1	1345674142	PXPIVCZRGQDMMW-GOSISDBHSA-N	400.504	3.631	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1F	97554482	YZPFEEUKVNTEPI-UHFFFAOYSA-N	411.525	3.889	10	20	HHCD	
C[C@@H](NC(=O)NCCCn1ccc2ccccc21)c1ccc(N2CCOCC2)cc1	141021805	DVWMYXKNYHVMQX-LJQANCHMSA-N	406.530	3.928	10	20	HHCD	
NS(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)cc1C(F)(F)F	470872946	WDTKBSDOYAWRTG-UHFFFAOYSA-N	422.432	3.523	10	20	HHCD	
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1c(C)c2ccccc2n1C	473265309	QDUYNFCDWCZWRO-LJQANCHMSA-N	409.555	3.655	10	20	HHCD	
COC(=O)c1ccc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	726092832	ZJISKEQNKLWQFN-UHFFFAOYSA-N	408.454	3.726	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC2(CCC2)c2c(F)cccc21	726288429	GHCMAJXHZUEGSV-UHFFFAOYSA-N	409.505	3.709	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3c[nH]c4cc(F)ccc34)CC2)cc1	726708450	BKQINZMEWIZVLY-UHFFFAOYSA-N	410.493	3.826	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCNC(=O)C2CCCCC2)cc1	728836713	DNBFQKCXTLTOSB-UHFFFAOYSA-N	413.484	3.730	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c1	729045876	ZZRXELMBKXKXDS-BFUOFWGJSA-N	414.893	3.938	10	20	HHCD	
CC[C@H]1CCCCN1CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	733351584	KIYPMNLNFMOIDN-NSHGMRRFSA-N	420.573	3.503	10	20	HHCD	
CCOC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1F	739997585	ZCDNDQKVMLUFLM-SFHVURJKSA-N	408.267	3.917	10	20	HHCD	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)cc21	741136186	IWHYORGNLRWXOS-UHFFFAOYSA-N	413.543	3.777	10	20	HHCD	
CC(C)Cn1cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	743222425	SBXXDFJTJGJDPR-OAHLLOKOSA-N	407.465	3.931	10	20	HHCD	
CN1C(=O)C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)[C@H]1c1cccc(Cl)c1	743719642	MUJNTBRIUICAHQ-XMSQKQJNSA-N	412.917	3.760	10	20	HHCD	
CCN(C)C(=O)c1cccc(C(=O)N(CC)Cc2cc(Br)ccc2O)c1	743809309	SEWKCVZTHRSFDX-UHFFFAOYSA-N	419.319	3.909	10	20	HHCD	
COc1cccc(CNC(=O)NCCCc2ccc(Br)cc2F)c1O	745829615	HSUUEUYNSGMWCT-UHFFFAOYSA-N	411.271	3.734	10	20	HHCD	
CCC(CC)(CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)NC(=O)OC(C)(C)C	746008174	XWYDFVBXEXHVGK-AWEZNQCLSA-N	409.527	3.845	10	20	HHCD	
Cc1nc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc2)n[nH]1	746018741	LGRUNCFDSFMTIU-JOCHJYFZSA-N	419.529	3.668	10	20	HHCD	
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	750134039	QUKLRBUDWZGSOQ-KJFKMWBDSA-N	402.560	3.912	10	20	HHCD	
O=C(CCc1nc(-c2ccoc2)no1)Nc1c(-c2ccccn2)nc2ccccn12	751302134	JDFOPPQIENSLFS-UHFFFAOYSA-N	400.398	3.611	10	20	HHCD	
COc1cc(OC)c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F	755833522	NHVHJCQRWKHEKS-AWEZNQCLSA-N	403.454	3.562	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2nc[nH]n2)c(C)n1-c1cccc(C(F)(F)F)c1	756756147	AMJWNMUPQJUVDC-UHFFFAOYSA-N	420.391	3.590	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3CN3CCNC3=O)cc2)CC1	757925624	VSUZDSPQLJFCLU-UHFFFAOYSA-N	421.545	3.770	10	20	HHCD	
O=C(NCCCSc1nccs1)NCC1CCN(Cc2cccs2)CC1	759577067	YDTCWMYDCHABKU-UHFFFAOYSA-N	410.634	3.898	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)nn(CC(F)F)c1C	760911865	SDDBSLHGHXACMB-UHFFFAOYSA-N	416.266	3.895	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2SCC(=O)NC(C)C)c1	761972545	KGGCIGZSQWBWSO-AWEZNQCLSA-N	402.516	3.509	10	20	HHCD	
Cc1ccc(O[C@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Br)c1	763278505	CCJCHYPJUOTGHJ-CHWSQXEVSA-N	408.292	3.683	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccncc3Br)cc2F)C[C@@H](C)O1	763280833	JNFHZLDQOYCIPL-CHWSQXEVSA-N	422.298	3.527	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(N3CCCCC3=O)CC2)c(C)n1-c1cccc(F)c1	763677173	VJHZCVRINHTAJW-UHFFFAOYSA-N	411.521	3.893	10	20	HHCD	
COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)CCCN2C	764052134	NFSMWMQPLBTTPQ-UHFFFAOYSA-N	415.515	3.646	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1	765635638	OZVWMEZOFVIWQU-VURMDHGXSA-N	407.388	3.640	10	20	HHCD	
CCCCOc1cc(OC)ccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	769368894	IMSSDEROTMDEER-UHFFFAOYSA-N	416.493	3.780	10	20	HHCD	
CCOc1ccc(CN2CCN(Cc3csc([C@@H](C)OCC)n3)CC2)c(O)c1	769501855	DQPIESOVFMZPSY-MRXNPFEDSA-N	405.564	3.663	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccnn2Cc2ccccc2Cl)c1	775369312	NNYPORGLYJDREK-CQSZACIVSA-N	414.893	3.588	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	775621674	UNOJVTMVVFKWJN-HNNXBMFYSA-N	404.536	3.787	10	20	HHCD	
Cc1cc(Br)cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O	775656319	RLJLCHAHZJBUSI-CQSZACIVSA-N	409.368	3.934	10	20	HHCD	
O=C1[C@H](NCc2ccc3c(c2)CCO3)CCCN1Cc1cccc(C(F)(F)F)c1	776302320	VPKKMXSACPKTOH-LJQANCHMSA-N	404.432	3.921	10	20	HHCD	
COc1ncc(/C=C/C(=O)N(CC(=O)Nc2ccccc2)c2cc(C)cc(C)c2)cn1	776314441	RKGRTRUZEUQIEZ-MDZDMXLPSA-N	416.481	3.787	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCOc2cc(F)ccc21	776895945	IYQXNCSEKZZAQX-IBGZPJMESA-N	417.456	3.515	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	782189612	UKAHEDLVZDDEGG-HPIGIXECSA-N	403.525	3.628	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1	785424336	NJVVNOHGGIZOIO-LJQANCHMSA-N	421.463	3.901	10	20	HHCD	
COCN1C(=O)CCc2cc(NCc3cc(Br)cc(OC)c3O)ccc21	789563070	QDWNVPGRHYENID-UHFFFAOYSA-N	421.291	3.659	10	20	HHCD	
COC(=O)c1csc(-c2cccc(CNC(=O)NCc3ccc(N(C)C)cc3)c2)n1	790120676	VFIBEWDYFUGQCH-UHFFFAOYSA-N	424.526	3.662	10	20	HHCD	
CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1	793444533	QZZASSPQBZMJFU-UHFFFAOYSA-N	408.234	3.816	10	20	HHCD	
COc1ccc(CNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c(O)c1	794369540	HJAFVAJYUOKJDA-UHFFFAOYSA-N	418.493	3.723	10	20	HHCD	
CCC(=O)c1ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c([N+](=O)[O-])c1	795072475	FHKSFPYHVOSIHQ-KRWDZBQOSA-N	410.474	3.501	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1OC	795636282	RIOOEUONIBKAGB-FQEVSTJZSA-N	412.530	3.513	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cs1	796669567	HAGCUONOJGCVJM-UHFFFAOYSA-N	420.538	3.974	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(Br)c1O	799234410	CQDKTUDCCHWPJK-UHFFFAOYSA-N	410.224	3.783	10	20	HHCD	
COc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])s3)n2C[C@H]2CCCO2)cc1	799923820	CAPBIDMRRKWCJL-CYBMUJFWSA-N	419.488	3.649	10	20	HHCD	
CN(CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)Cc1ccc(N2CCOCC2)cc1	801910752	AOQYSLIKYFEPCF-HXUWFJFHSA-N	417.594	3.992	10	20	HHCD	
O=C(NCc1cccc(C(=O)NC2CC2)c1)NCc1cc(Cl)cc(Cl)c1O	806452262	UOOLEPJODTYHCO-UHFFFAOYSA-N	408.285	3.591	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1	806457182	FXDUTGLPOWAHOO-DLBZAZTESA-N	413.484	3.586	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	807840191	TUCMLPCRFMOZBG-UHFFFAOYSA-N	403.306	3.962	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1C(=O)Cc1ccccc1	807840319	YUSYXDXVBCYKEW-QGZVFWFLSA-N	407.297	3.549	10	20	HHCD	
COc1cccc(CNCc2cc(Br)cc(Br)c2N)c1O	809740210	PQEMCOGPSDVQST-UHFFFAOYSA-N	416.113	3.798	10	20	HHCD	
CC[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1O	810212387	RBKDZCDCKUKZDE-KRWDZBQOSA-N	416.465	3.571	10	20	HHCD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1	812716652	DKGZNCMFKGSGOY-NQIIRXRSSA-N	403.567	3.648	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c(C)n1-c1ccc(C(C)C)cc1	818147957	KQPGHFSUUCHVPF-JOCHJYFZSA-N	421.545	3.779	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=N)N[C@H]3CCOc4ccccc43)cc2F)C[C@@H](C)O1	849091179	XQAPYCCEXRIAAA-QINHECLXSA-N	412.509	3.577	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(NC(=O)C4CC4)ccc3C)CC2)cc1	915702193	XXMRGAPZXFJWJQ-UHFFFAOYSA-N	408.502	3.706	10	20	HHCD	
Cc1ccc(C)c(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	916457433	CVVMCYZUOUWSBQ-UHFFFAOYSA-N	422.447	3.854	10	20	HHCD	
COc1cccc(NC(=S)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	917581384	XLGTVDCOBNUEIM-HUUCEWRRSA-N	403.523	3.935	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(Cl)cc1	918574750	RPHHQQJIIKGOPB-UHFFFAOYSA-N	409.921	3.936	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cccc3c2COC3=O)nc1-c1ccc(F)cc1	918741095	FAVUJWIIKIWMBY-UHFFFAOYSA-N	404.444	3.729	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3cc(Cl)c4c(c3)OCCCO4)SC2=S)CC1	920473816	XTTQMVDATIILFE-LFIBNONCSA-N	424.975	3.797	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ncoc1[C@H]1CCCO1	1318508190	KZJYUOUZYXVNTO-MRXNPFEDSA-N	407.417	3.526	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(N(C)CCCO)CC2)c1	1319629415	BADYOEJZCRJGBM-UHFFFAOYSA-N	403.954	3.666	10	20	HHCD	
C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1ccc(N(C)C)cc1	1321350901	VRHYUYGVVKLPON-LBPRGKRZSA-N	415.328	3.835	10	20	HHCD	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCCc2cc(OC)ccc21	11419828	ZOPLHJFLQNWNAC-UHFFFAOYSA-N	409.530	3.634	10	20	HHCD	
COc1cc2c(cc1NCC(=O)N1CC(=O)Nc3ccccc31)oc1ccccc12	25892507	XTZHMMBRGIGRDS-UHFFFAOYSA-N	401.422	3.992	10	20	HHCD	
Cc1cc(C(=O)NCC(=O)OCC2CC2)c(C)n1-c1ccc(Br)cc1	110260212	LGFPMLQJARWJLM-UHFFFAOYSA-N	405.292	3.540	10	20	HHCD	
COc1ccc(N2CCN(c3cc(C(F)(F)F)nc(-c4ccncc4)n3)CC2)cc1	301366169	SIXFFTPYKCPIRZ-UHFFFAOYSA-N	415.419	3.893	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(S(C)(=O)=O)c(C)c3)ccc21	500310545	APRVSYJAVQFZKG-UHFFFAOYSA-N	414.527	3.869	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)n(C)c2ccccc12	510385084	RVMQMEHTODNZHF-PKOBYXMFSA-N	407.489	3.695	10	20	HHCD	
Cc1ccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cc1[N+](=O)[O-]	544953211	MOYCMSDTHAKTMN-UHFFFAOYSA-N	406.423	3.836	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1	727247105	UUSLRGLDBWVZSL-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1	728979790	MXRUBPGNFNHBOD-MRXNPFEDSA-N	420.465	3.800	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(C)n(C(C)C)c3C)cc2F)CC1	730235240	QUKZSBLSHNNLAN-UHFFFAOYSA-N	400.542	3.897	10	20	HHCD	
COCCOc1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cc1	730593005	FKTFFQFQJUVRTF-QGOAFFKASA-N	400.525	3.551	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(COC(C)C)c2)cc1F	731408084	DOIBTHHQBDSSDH-UHFFFAOYSA-N	415.509	3.852	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2nnc(SCc3ccccc3)s2)c1	734058938	ADLHTPYSOUWINI-UHFFFAOYSA-N	402.501	3.866	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)c1sc2ccccc2c1Cl	734558382	RVJHAVHVMKHZMM-UHFFFAOYSA-N	415.946	3.975	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C	734666065	VDZUTRCVRSGNOX-IBGZPJMESA-N	404.555	3.650	10	20	HHCD	
CCCC[C@H](COC)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	736376345	SZNQDHBXTWUMHD-MRXNPFEDSA-N	417.472	3.546	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Cl)c4cccnc34)c2)CC1	739768270	OBQNJYJDMLPLMD-UHFFFAOYSA-N	408.889	3.842	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)ccc1OC	740604570	IPCCWLNSMDVZRU-UHFFFAOYSA-N	422.484	3.616	10	20	HHCD	
CC(C)c1ccc(N2CC[C@@H](C(=O)NCCCSc3nccs3)C2=O)cc1	741692145	GCIMITCUQNSDGL-KRWDZBQOSA-N	403.573	3.918	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)NC(=O)OC(C)(C)C)cc1	742755940	ZURUIJPTFDVBOH-HXUWFJFHSA-N	413.518	3.514	10	20	HHCD	
C[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806217	QNWQXNICGAFKSG-HUUCEWRRSA-N	408.420	3.980	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F	742806938	VFWBPZPSECVLKL-LBPRGKRZSA-N	409.364	3.734	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(CC(F)(F)F)c1	743882995	FUNCDXLNRVDLCT-UHFFFAOYSA-N	405.420	3.647	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H]3c3cccc(F)c3)cc2F)CC1	745808022	JDRDZZMSZAUUBF-OAQYLSRUSA-N	414.500	3.763	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1c(Cl)cccc1Cl	746231086	JPAZFNLQGKXTHR-UHFFFAOYSA-N	412.292	3.969	10	20	HHCD	
Cn1ccnc1N1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	746450034	IJTKGPACLMZEPF-UHFFFAOYSA-N	403.490	3.596	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)cc1	747402670	LEOOXAYWCWXIDU-UHFFFAOYSA-N	424.501	3.946	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N(C)Cc1ccccc1O	747594144	MUIRGDGVTFDVHN-UHFFFAOYSA-N	405.882	3.533	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nccn4ccnc34)c2C)cc1	748464946	YJKSREDSEZTFQL-UHFFFAOYSA-N	418.453	3.575	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3F)CC2)cc1F	753856539	CRPIJQKAKZTIGR-CYBMUJFWSA-N	409.864	3.776	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	753963422	KQEAFNWJRCFFMC-ILXRZTDVSA-N	403.498	3.854	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cc(Cl)cc2c1OCC2	754161740	XQRSFVKQIDEQPV-UHFFFAOYSA-N	417.962	3.828	10	20	HHCD	
C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccs1	754306804	FZYKRHOMJLEOLB-UONOGXRCSA-N	410.490	3.816	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)cc1	754638691	CXAQMYSQGPAIJP-LJQANCHMSA-N	418.559	3.572	10	20	HHCD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	755610677	WFYFSRHSPVZZPB-APWZRJJASA-N	413.949	3.537	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@H]3C[C@H](C)c4c(F)ccc(O)c43)CC2)cc1	756393185	QCRYLYBEBVVNEO-KXBFYZLASA-N	418.534	3.831	10	20	HHCD	
C[C@@H](NCc1ccc(-n2cncn2)nc1)c1cc(Br)cc(Cl)c1O	756432805	UJHDDZFAOFSFKY-SNVBAGLBSA-N	408.687	3.635	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCCCNC(=O)c2ccc(Br)cc2)c1	756523148	AUIIPNHTMLZECQ-CYBMUJFWSA-N	407.308	3.634	10	20	HHCD	
C[C@H](NCCc1ccc(OCCN(C)C)cc1)c1cc(Br)ccc1O	756548130	IOYZEKVMXIFDJJ-HNNXBMFYSA-N	407.352	3.988	10	20	HHCD	
COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)CC2	758200934	HHMWTKYLWLCCFO-IBGZPJMESA-N	421.545	3.700	10	20	HHCD	
C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	759583245	IVDRORPHWBQTGJ-RVKKMQEKSA-N	423.460	3.661	10	20	HHCD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	760461912	HHASKTVAOBBHSV-NRFANRHFSA-N	400.567	3.654	10	20	HHCD	
CC(C)c1cc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nc(C(C)C)n1	761218745	MQIZQRRFDVXVSL-UHFFFAOYSA-N	402.564	3.570	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1	765098250	PFGUSHHJTOSVEY-LBPRGKRZSA-N	418.475	3.609	10	20	HHCD	
CC(C)n1cc2c(n1)[C@H](NC(=O)NCc1ccc(N3CCSCC3)cc1)CCC2	765228270	FJAIZUAJVAKHJT-HXUWFJFHSA-N	413.591	3.894	10	20	HHCD	
CNc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cccc1[N+](=O)[O-]	765448445	ZEPSAODAYLOAAU-UHFFFAOYSA-N	420.416	3.637	10	20	HHCD	
COc1cc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)ccc1OC(F)F	768169841	ZKSLFYOLMGFWTQ-UHFFFAOYSA-N	410.436	3.904	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	768202350	XWXPXNCIULPPRD-CVEARBPZSA-N	422.422	3.624	10	20	HHCD	
C[C@@]1(Cc2ccccc2)CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	768252718	OZWYMOSHVWKSPG-DEOSSOPVSA-N	411.521	3.969	10	20	HHCD	
COc1cc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c(O)cc1C	768449066	DEDRSUDYVJLFIT-OAHLLOKOSA-N	424.497	3.524	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768915564	LRGAMOKWZLIECR-MRXNPFEDSA-N	403.866	3.657	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3cn(C)c4cc(F)ccc34)CC2)cc1	770522874	RQQQLDCQTGCMSA-UHFFFAOYSA-N	424.520	3.790	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@H](OC)c3ccc(F)cc3)CC2)cc1	770833061	UNRCVYNRZONJCX-VGSWGCGISA-N	415.509	3.832	10	20	HHCD	
CCCCS[C@@H](C)c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	771065990	HONKBLYQUHOFQP-INIZCTEOSA-N	418.563	3.564	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCN(c2ccncc2)CC1	772613684	ZVRNFZYGJBLUOI-UHFFFAOYSA-N	409.578	3.984	10	20	HHCD	
O=C(C[C@@H](O)c1ccc(Cl)cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	772805433	YLTFIRSKUPEGED-UYAOXDASSA-N	423.340	3.903	10	20	HHCD	
Cc1ccc(Cn2nc(C)c(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2Cl)cc1	773747693	DZHDFADTFOPDDL-CQSZACIVSA-N	413.905	3.974	10	20	HHCD	
Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773847197	QPMAALVFHGWACW-CQSZACIVSA-N	418.335	3.948	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@H](C)NCc2cc(Br)cc(OC)c2O)C1	776810177	XGHIAACVTPLSBA-STQMWFEESA-N	415.328	3.510	10	20	HHCD	
COCCOc1cc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1OC	776842480	XKKTXZMKHILOCS-INIZCTEOSA-N	404.482	3.869	10	20	HHCD	
C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)c1ccc(Cl)cc1	776975171	XJEYRBHIHBUVNC-HNNXBMFYSA-N	418.896	3.841	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CC[C@H](C(=O)NCC(F)(F)F)C3)c2C)c1	779242938	IQKUXQPCRQCASU-KRWDZBQOSA-N	421.463	3.852	10	20	HHCD	
CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779545954	VOQHALQDYLKRFB-NFXSTUHQSA-N	406.276	3.766	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCO[C@@H](c4ccc(F)cc4F)C3)ccc21	779550569	TUMUIFBAPOHJSP-OAQYLSRUSA-N	401.457	3.630	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)nn3C)SC2=S)cc1	779800740	WMLONVAKQAUTDK-MDWZMJQESA-N	423.361	3.654	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CC[C@H]([C@H](C)O)C2)c(C)n1-c1ccc(OC(F)F)cc1	780358270	FTWQKHNAFXNFFJ-ULQDDVLXSA-N	406.473	3.969	10	20	HHCD	
CN(CC(=O)NC1CCC2(CC1)OCCO2)c1ccc(OCc2ccccc2)cc1	781962716	DGIYVYOQNWJQTP-UHFFFAOYSA-N	410.514	3.504	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	783303027	JOWNOYHUKFZGEP-UHFFFAOYSA-N	418.881	3.692	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2)c1ccc(N)cc1	783487607	XDFCLTWTPKSAEM-QGZVFWFLSA-N	414.509	3.994	10	20	HHCD	
O=C(NCCCOc1ccccc1)C(=O)N(Cc1ccccc1O)C1CCCCC1	785587786	NIIFGTQJDXNGEF-UHFFFAOYSA-N	410.514	3.639	10	20	HHCD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2ccc(N3CCSCC3)cc2)c1	788089005	GSUVRVIOOAFJKC-TZIWHRDSSA-N	412.555	3.677	10	20	HHCD	
CCc1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)s1	788720378	VWNRMYMQRFTXAV-UHFFFAOYSA-N	400.544	3.994	10	20	HHCD	
Cc1ccc([C@H]2CCCCCN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)o1	788913849	ZVMUGUUPNPPYMQ-OAQYLSRUSA-N	409.530	3.948	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@H]1CCCN(c2ccccc2)C1	789313900	FVLABKDVKGNKGT-OAHLLOKOSA-N	418.335	3.871	10	20	HHCD	
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	789438589	QKDVXBXRJLWSIA-UHFFFAOYSA-N	402.426	3.509	10	20	HHCD	
COC[C@@H](NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)[C@@H]1CCCO1	790278902	CGDLHCUYBXGWQE-MOPGFXCFSA-N	421.335	3.780	10	20	HHCD	
Cc1ccc([C@H](CNCc2ccc(N(C)C)cc2C(F)(F)F)N2CCOCC2)o1	792894409	WAKXTVPBPWXKEH-IBGZPJMESA-N	411.468	3.836	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	798090517	NTPKJKJAWNRBIS-AZUAARDMSA-N	417.912	3.796	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N(C)C)cc1	799975215	KTQOLJRBMSGGES-GCJKJVERSA-N	404.514	3.716	10	20	HHCD	
Cc1cc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H]2CCOC2)c(C)n1-c1ccccc1	802753694	NDWPNOZJBQJNJM-UYAOXDASSA-N	421.545	3.614	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(CC2CC2)n1C[C@@H]1CCOC1	802763524	XTCZYXGZFHLICQ-NRFANRHFSA-N	409.578	3.894	10	20	HHCD	
Cc1cc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n(C)n1	803465852	KYWCZSKZJKSAFV-UHFFFAOYSA-N	401.308	3.829	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21	803842071	LNIVZOQHZHDYHK-SFHVURJKSA-N	417.962	3.684	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])cc2F)C[C@H](C)O1	804358913	BIIHUVBTRQWZBP-STQMWFEESA-N	404.398	3.868	10	20	HHCD	
CC[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1cccc(Cl)c1O	806134481	ZBWZYAVRPSPKDK-OAQYLSRUSA-N	404.938	3.998	10	20	HHCD	
COc1c(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc(Cl)cc1C(N)=O	806534384	CKLLVAQFNLWOPH-UHFFFAOYSA-N	418.664	3.782	10	20	HHCD	
Cc1cnc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)nc1	808500443	MKYGQVLSJKYYFY-ZSOIEALJSA-N	419.553	3.571	10	20	HHCD	
COc1cc(N(C)Cc2cn3ccc(Br)cc3n2)cc(OC)c1OC	811488486	YVQQILWHANZKCW-UHFFFAOYSA-N	406.280	3.759	10	20	HHCD	
CC(C)(CO)[C@@H](NCc1cc(Br)cc(Br)c1O)C1CC1	811518602	MJDYEUPMDREQGF-AWEZNQCLSA-N	407.146	3.804	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)cc2F)C[C@@H](C)O1	811865217	WBKDCEQXSDFNJX-RFZJPIJTSA-N	419.541	3.538	10	20	HHCD	
C[C@H]1CCCN(c2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccn2)C1	812504330	SWATXLRFHAWPPB-RXVVDRJESA-N	409.530	3.845	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1cc(Cl)cc(Cl)c1O	813683639	XIAXDJRKBHQPHJ-NHYWBVRUSA-N	402.322	3.535	10	20	HHCD	
COCc1ccccc1/C=C(\C)CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	814290297	FNYGIYGIMSWVAR-SLTDHEAWSA-N	407.558	3.728	10	20	HHCD	
CC(C)(C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)cc1	857437723	DJQOSADAPIETEY-KRWDZBQOSA-N	408.495	3.810	10	20	HHCD	
Cc1ccc(NC(=O)CSCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	914479410	CDZRLPDVPIBYSZ-UHFFFAOYSA-N	411.571	3.924	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	914613446	QOYQWMAOYCISQI-QGZVFWFLSA-N	407.470	3.990	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	916503478	WSEIPYQTPRMNRC-UHFFFAOYSA-N	410.518	3.974	10	20	HHCD	
COc1ccc(CN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	918222781	XDWCWBBRVMAEEK-IAGOWNOFSA-N	415.509	3.790	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2	918309802	HGFWOEVEAFLEOJ-UHFFFAOYSA-N	423.513	3.781	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(-c2ccccc2)n1	919968328	DFQBSNKUTSOBHG-UHFFFAOYSA-N	407.539	3.949	10	20	HHCD	
COC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cn1	1317772491	RAPDETZXLRBLCY-UHFFFAOYSA-N	420.465	3.932	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn3ccncc23)cc1	1321079928	MXQXKBIOTHJASS-UHFFFAOYSA-N	401.470	3.651	10	20	HHCD	
C[C@H]1CN(C(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)C[C@@H](C)O1	11648212	HMESWJZLVBTNHE-CALCHBBNSA-N	411.527	3.919	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1	33776563	MGBZLSSMZKPNAC-SXGWCWSVSA-N	403.456	3.783	10	20	HHCD	
COc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc2c1OCO2	237427713	NYHLMCLLEQULJV-HNNXBMFYSA-N	406.429	3.784	10	20	HHCD	
Cc1cc(NC(=O)CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)n(C)n1	303632725	PBAMLVHGQYUUGZ-RMKNXTFCSA-N	418.497	3.658	10	20	HHCD	
Cc1c(CNC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)n(C)c2ccccc12	473282695	NTHQJQVACUBOHG-UHFFFAOYSA-N	413.547	3.572	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nnc(C)n4c3)c2C)c1	726812988	NGQWNKUICHRGRL-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnc(C(C)(C)C)nc3)cc2F)C[C@@H](C)O1	726845723	PPULWFLCVRRXQU-HUUCEWRRSA-N	415.513	3.849	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)c(O)c2O)c(Br)c1	727005060	DYMDBIJFILJAQW-LLVKDONJSA-N	408.248	3.661	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C(=O)N3CCCC3)C(C)C)ccc21	728640011	VAYQCXKKENYOBI-NRFANRHFSA-N	400.519	3.708	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1O	729570522	RQMYGBILFWGSNG-UHFFFAOYSA-N	408.336	3.791	10	20	HHCD	
CCCCCNC(=O)C1CCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1	731364371	YPLNWINIUYNCAK-UHFFFAOYSA-N	420.573	3.900	10	20	HHCD	
O=C(CCc1nc(-c2cccs2)no1)N(Cc1ccccc1O)C[C@@H]1CCCO1	731855861	DOYQDWODHCGJEL-INIZCTEOSA-N	413.499	3.644	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3c[nH]c4ccc(OC)cc34)CC2)cc1	733650539	QUDLPTNRKTWSOG-UHFFFAOYSA-N	422.529	3.650	10	20	HHCD	
CCCCCn1nc(C(=O)NCCCSc2nccs2)c2ccccc2c1=O	733974975	SKBUICUVNQRLQJ-UHFFFAOYSA-N	416.572	3.955	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)c1	734068035	BSQWBWYHEYYEOM-HNNXBMFYSA-N	403.910	3.688	10	20	HHCD	
COc1cccc([C@@H](C)N2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)c1	734688882	SWUPKILCIPZZAC-LJQANCHMSA-N	410.562	3.658	10	20	HHCD	
COC(=O)c1sccc1NC(=O)CN(Cc1ccco1)c1ccc(OC)c(F)c1	739927032	ZRARTVFSMZEDEV-UHFFFAOYSA-N	418.446	3.921	10	20	HHCD	
CC(=O)Nc1c(C)cccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742807295	ZJWICLMWTPMDKU-MRXNPFEDSA-N	417.456	3.954	10	20	HHCD	
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2	743719620	LOLTVLHHXMLGHN-LBPRGKRZSA-N	404.850	3.916	10	20	HHCD	
CN(CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	745399051	GZSVOKCJZYZHIH-QGZVFWFLSA-N	418.488	3.692	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1	746767287	KNVVLRLGEGLQTJ-UHFFFAOYSA-N	414.550	3.604	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)ccc21	746880214	YUKOOYFYDQMKJT-LJQANCHMSA-N	415.946	3.842	10	20	HHCD	
CCCCN1CCC(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	749212688	OCTJSNMTNDYYFQ-ROUUACIJSA-N	420.573	3.503	10	20	HHCD	
COc1ccccc1N1CC[C@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)C1	749865588	VXVCUXIEVJSWAR-LJQANCHMSA-N	404.514	3.754	10	20	HHCD	
CCc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	749918666	MDSYNJKMPUVKJA-HXUWFJFHSA-N	407.558	3.545	10	20	HHCD	
COCCN(CC(=O)N(C1CCC(C)CC1)C1CC1)c1ccc(OC)c(OC)c1	751475035	ITWQIZVJCZPGBL-UHFFFAOYSA-N	404.551	3.726	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1O	753043396	ZWFBTZCXAKEJPE-NSHDSACASA-N	402.838	3.665	10	20	HHCD	
COCCN(C)CCCN[C@@H](C)c1cc(Br)cc(Br)c1O	756409101	XNIFPNUNNGCZIL-NSHDSACASA-N	424.177	3.536	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2)cc1	757677125	YFLGVBIOERXXJM-QGZVFWFLSA-N	417.531	3.710	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O	759669084	GOUXUSGHOJYXPQ-VWNXMTODSA-N	413.537	3.807	10	20	HHCD	
NC(=O)[C@H](Cc1ccc(Cl)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	760575843	JUGBVUSVSOXVCP-IBGZPJMESA-N	423.891	3.596	10	20	HHCD	
C[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc[nH]1	760731124	OABMWQTUXIJMID-QJMZJAKPSA-N	405.570	3.935	10	20	HHCD	
COc1ccc2c(c1)[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)CC2	761665025	SGVGISQJNYEUSZ-XZOQPEGZSA-N	408.542	3.999	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F	765163638	ODZDRIFYJZMEHE-UHFFFAOYSA-N	422.522	3.613	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1noc(-c2ccccc2)n1	765534429	KSWQQFCXVIEOSZ-LLVKDONJSA-N	417.263	3.765	10	20	HHCD	
COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1	766892168	NGRLXLGCLMMTOA-UHFFFAOYSA-N	410.662	3.940	10	20	HHCD	
COc1ccc(CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	768916827	UUHVPWDDCPMAKJ-LJQANCHMSA-N	402.922	3.768	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCOC2(CCC2)C1	769096404	UIFJXFXGTAOZRD-INIZCTEOSA-N	409.477	3.658	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)c(C)o1	769318730	KKJAYRBUKAZCBW-UHFFFAOYSA-N	407.854	3.558	10	20	HHCD	
C[C@H]1Cc2ccccc2N1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769646918	JEURWORQKQJCEC-ZDUSSCGKSA-N	414.508	3.846	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2nc(C(F)(F)F)cn2c1	770220312	NGHXGZFMCLQFLS-UHFFFAOYSA-N	420.460	3.836	10	20	HHCD	
COc1ccc(N(Cc2ccccc2)Cc2c(C)nn(C)c2N2CCOCC2)cc1	772601506	SOSIWTOXXXDULT-UHFFFAOYSA-N	406.530	3.781	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1ccc(OCc2ccccc2)cc1	772770162	RTZMXCZESYCKMT-NTUHNPAUSA-N	419.433	3.872	10	20	HHCD	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1nc(-c2ccccc2)cs1	772773787	DZGQQTNIARVDDY-KJJQSCHISA-N	410.451	3.805	10	20	HHCD	
Cc1nc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cs1	772855784	AUJSNBOJKQBBDU-HNNXBMFYSA-N	412.538	3.558	10	20	HHCD	
CCCCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	773610684	KTDZXIIPMVAINH-AZUAARDMSA-N	402.583	3.932	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2cccnc2Cl)cc1)C1CCCCC1	774178258	KRXIEBRBEWRCTN-UHFFFAOYSA-N	400.910	3.759	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1	774923335	JVTPJTWFPATLCA-KGLIPLIRSA-N	407.436	3.826	10	20	HHCD	
COc1cc(O)c(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1OC	775656160	POPSPSONTFLRER-UHFFFAOYSA-N	420.893	3.619	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779503148	IPARRZZHWJYRRY-YPLUBFQTSA-N	416.518	3.749	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]nc1-c1cc2ccccc2o1	780397686	ORNITHMHNBQGNW-UHFFFAOYSA-N	420.444	3.729	10	20	HHCD	
CC(=O)Nc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)ccc1F	784111540	LCDFQSPJPURWDY-UHFFFAOYSA-N	412.465	3.528	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cncc(Br)c2)cc1	784114520	XKNJVGWKCKBICS-UHFFFAOYSA-N	417.307	3.588	10	20	HHCD	
C[C@@H](NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccc(N2CCOCC2)cc1	788564156	QFAHZJRGYRASHX-QGZVFWFLSA-N	401.551	3.573	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c1C	789728422	TZRZWIPAYKAWQX-UHFFFAOYSA-N	412.924	3.682	10	20	HHCD	
COc1ccc([C@@H](CN(C)C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	790653335	QDCIEFZOXCAZFM-OAQYLSRUSA-N	412.534	3.986	10	20	HHCD	
CN(CCCNC(=S)Nc1cccc(N2C(=O)CCCC2=O)c1)c1ccccc1	795002810	QHMKKVBVBOLBHF-UHFFFAOYSA-N	410.543	3.543	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1cccc(OCC)c1O	796403626	WGEZCRNLYXBUQY-UHFFFAOYSA-N	422.547	3.832	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1Br	797432329	XDPNTXWETBKOQH-UHFFFAOYSA-N	404.669	3.812	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c(O)c1	797618181	HDHUUIYBHGKNFG-INIZCTEOSA-N	406.866	3.934	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@]2(CCOC2)O1	799994104	JNYHEYXWHLBKSG-JLHGSKIFSA-N	421.969	3.666	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC[C@H](S(C)(=O)=O)CC2)cc1)C1CCCCC1	800703061	TYUCBUQKCYFVMU-NRFANRHFSA-N	421.607	3.564	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@H](COC)C1	801862419	QXULORVDZZKHPJ-PXNSSMCTSA-N	409.534	3.613	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2ccnc(C)n2)c1	802610633	JBWGCAWEGZHMST-UHFFFAOYSA-N	418.497	3.925	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CCc3c(O)cccc32)cc1)C1CCCCC1	803677268	KWFKBJMIXKZVHD-JOCHJYFZSA-N	421.541	3.581	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1c(F)cc(C(F)(F)F)cc1F	810192679	KAWDHQXKOUVXMR-UHFFFAOYSA-N	400.347	3.750	10	20	HHCD	
Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3O)n2CCc2ccccc2)n1	812058045	BCTJENWTGVDFDT-UHFFFAOYSA-N	416.529	3.724	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCC[C@@H](CSC)C2)c([N+](=O)[O-])c1Br	813639157	VJJFWWCQEBFRCW-SECBINFHSA-N	420.285	3.854	10	20	HHCD	
CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1cc(Cl)cc(Cl)c1O	813685603	LZRSAEJVAZEMEA-UHFFFAOYSA-N	417.314	3.781	10	20	HHCD	
CN(C)c1ncccc1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915765729	XFKYCHWNVXKSBX-UHFFFAOYSA-N	402.458	3.818	10	20	HHCD	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	915848232	BIQWZRPYVJPLBK-UHFFFAOYSA-N	407.562	3.939	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cncc(Br)c3)cc2F)C[C@H](C)O1	917711807	NZLZNFUCWOULNY-STQMWFEESA-N	422.298	3.527	10	20	HHCD	
O=C(Nc1ccc(F)c(F)c1F)C(=O)N(Cc1ccco1)Cc1ccccc1O	918293587	AKCIUQDTIXZVKI-UHFFFAOYSA-N	404.344	3.570	10	20	HHCD	
CC(C)c1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	919923866	ZVCAZETYUCBTEJ-OAQYLSRUSA-N	408.546	3.511	10	20	HHCD	
COc1ccc(N(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC	920418342	LNFYPJIBTZRZNK-UHFFFAOYSA-N	404.315	3.921	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nc3ccccc3[nH]2)cc1	1116313953	JWHWKYGDXGLEQH-LJQANCHMSA-N	424.570	3.929	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c1O	1321600347	ANZFDUIWIZELSW-UHFFFAOYSA-N	416.481	3.741	10	20	HHCD	
CCc1oc2ccccc2c1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1341156322	HDJHOKPUUSBCFG-KRWDZBQOSA-N	405.498	3.627	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(Oc2ccccc2)CC1	1351237951	GMPDBQQBJNZDGZ-INIZCTEOSA-N	402.441	3.985	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1	7219220	JHMNXKZPJYZDNV-SFHVURJKSA-N	408.571	3.858	10	20	HHCD	
CCOCc1cc(/C=C2\SC(=S)N(c3cnn(CC)c3)C2=O)ccc1OC	726196929	HDUWZQGTOLABMU-MFOYZWKCSA-N	403.529	3.854	10	20	HHCD	
COc1ccc(CC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1[N+](=O)[O-]	727884297	VOMMUKDWEAORHX-UHFFFAOYSA-N	422.437	3.980	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](c1ccccc1)c1cccnc1	728596662	HGUFUUGORJMLGH-QHCPKHFHSA-N	420.488	3.646	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CSC(=S)N3CCC(C)CC3)CC2)cc1	730967963	AIYYUVUFFWXBNV-UHFFFAOYSA-N	421.632	3.530	10	20	HHCD	
C[C@@H](NC(=O)NC[C@H](O)c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	731499288	XJUSZALBLONGRW-KOSHJBKYSA-N	419.525	3.770	10	20	HHCD	
CCc1cc(N2CCC[C@@H](NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)ncn1	732914269	KMXOJUAGRYACNA-HXUWFJFHSA-N	424.549	3.696	10	20	HHCD	
COc1cc(OC)c(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(OC)c1	733335029	ZNVRWOIQPXISQM-QGZVFWFLSA-N	420.937	3.826	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(-c4nnco4)ccc3C)CC2)cc1	736986896	YWPQMTNKKDYEEZ-UHFFFAOYSA-N	407.474	3.844	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc2c(c1)CCCN2C	741081970	BJKMIXOMJUIDKL-FQEVSTJZSA-N	406.574	3.875	10	20	HHCD	
Cc1ccc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1	742748979	BXUPBGGYCZHRGU-NRFANRHFSA-N	411.546	3.986	10	20	HHCD	
O=C(/C=C\c1ccc2c(c1)OCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799366	XWJUGDSHZNFXRC-FIRRRZPPSA-N	416.424	3.815	10	20	HHCD	
O=C(C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cnn(-c2ccccc2)c1	743428933	SBJBKIMOGKXOLM-UHFFFAOYSA-N	401.422	3.583	10	20	HHCD	
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc(N2CC=CC2)cc1	743623149	GSSHLYWLBYNZKT-QHCPKHFHSA-N	404.558	3.726	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)NCc3c(O)ccc4c3CCCC4)n2)c1	743701735	AFTKTIHFTMHHSL-CQSZACIVSA-N	422.485	3.890	10	20	HHCD	
COc1cccc(Oc2ccc(CNC(=O)NCc3cccc(OC)c3O)cn2)c1	745472411	IYIJQKRZGKEUSR-UHFFFAOYSA-N	409.442	3.596	10	20	HHCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405815	JMABUSLNLMADBU-DHJUGAMNSA-N	420.569	3.880	10	20	HHCD	
COc1ccc([C@H](C)CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	750070457	MAMQDUZATVLJPI-MRXNPFEDSA-N	400.494	3.605	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)OCC(=O)Nc3c(C)nn(C)c3C)c2C)c1	750412196	LWXLAHSWJPKBAD-UHFFFAOYSA-N	408.502	3.857	10	20	HHCD	
CCOc1cc(Cl)ccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1	752153475	GMLHXXXRBZMFKU-UHFFFAOYSA-N	403.910	3.575	10	20	HHCD	
COC(=O)c1c(Br)ccc(NC(=O)NCc2ccc(N(C)C)cc2)c1C	753221575	CAVAVXKKIWSWCZ-UHFFFAOYSA-N	420.307	3.932	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cn(-c4ccccc4)nn3)cc2)CC1	755156378	PUTVZHQOOFOFJY-UHFFFAOYSA-N	404.518	3.503	10	20	HHCD	
CCC1(CC)CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	755866708	NFMGBMRJRFOPHD-UHFFFAOYSA-N	408.545	3.907	10	20	HHCD	
O[C@@H]1CCC[C@@]1(CNCc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(F)cc1	758580181	HSSBCXPXLDXNPO-RPWUZVMVSA-N	416.512	3.665	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	758883774	XDRCCBBWRFACOX-KRWDZBQOSA-N	401.551	3.722	10	20	HHCD	
CC[C@H](C)n1ncc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1C1CC1	763119617	SMHLHRDPIWLVFB-INIZCTEOSA-N	411.550	3.785	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1	764895876	XFYCAGGVPYMAJJ-UHFFFAOYSA-N	420.962	3.761	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CC4(CCC4)Oc4ccccc43)cc2)C1	765250187	BSZHPFSKUCSOAV-SIKLNZKXSA-N	405.542	3.924	10	20	HHCD	
CC(C)n1nccc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	765683099	LXTHXAIMXAXKNB-GOSISDBHSA-N	415.538	3.526	10	20	HHCD	
CCOc1cc(CN2CCCCc3cc(OC)ccc32)nc2nc(C(F)(F)F)nn12	766268919	HHMHNCVCTGIBNZ-UHFFFAOYSA-N	421.423	3.893	10	20	HHCD	
CC(C)(C)c1nnc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)s1	766885465	PTLISNUOPHQNBV-UHFFFAOYSA-N	400.504	3.775	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](C)c3cccc(O)c3)cc2F)C[C@H](C)O1	770260132	CKBJQWPPQCTLLI-JYJNAYRXSA-N	401.482	3.705	10	20	HHCD	
CC1(C)[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1OCc1ccccc1	770349918	ILFJHYAMNWKSGY-XZOQPEGZSA-N	423.557	3.706	10	20	HHCD	
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773018239	YHWRFKGPOPPIBO-CABCVRRESA-N	403.523	3.829	10	20	HHCD	
COC1CCN(C2(CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CCCC2)CC1	773294843	WMUOJLKYXNYQDP-SFHVURJKSA-N	402.583	3.536	10	20	HHCD	
C[C@@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)c(Cl)cc1O	774143875	NOTGXZNBPQULAS-CQSZACIVSA-N	408.329	3.698	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1	774505261	AVXKFFFUCSWAQT-NSHDSACASA-N	403.422	3.674	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cc(Cl)ccc2OC[C@H]2CCOC2)c1O	775091552	ZMOCKZNBIVAWLO-LBPRGKRZSA-N	408.838	3.990	10	20	HHCD	
CC(C)C[C@H](C)n1nccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	775760375	KKKQBSMOFHHTCJ-INIZCTEOSA-N	403.502	3.788	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	775773960	LVOLYEHWRGQQRP-BJKOFHAPSA-N	423.557	3.649	10	20	HHCD	
CO[C@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	776885272	VMARDJSBHCRHJQ-HZPDHXFCSA-N	401.482	3.809	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc(F)c(F)c(O)c1F	781080960	VDFJAQPAYDAMLV-UHFFFAOYSA-N	405.420	3.594	10	20	HHCD	
CC(C)NC(=O)c1cnn2c1C[C@H](CNCc1cc(-c3ccccc3)ccc1O)CC2	785565466	ZMKHWTUQXJPVND-GOSISDBHSA-N	418.541	3.746	10	20	HHCD	
COc1ccc([C@H](CN[C@@H](C)c2c(C)cc(C)cc2O)N2CCOCC2)cc1OC	788501663	GMKJIUOXCMHCJU-ICSRJNTNSA-N	414.546	3.750	10	20	HHCD	
O=C(NC[C@@H]1CCCN(c2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	789314375	IWDCTQZSJHXVHE-NZQKXSOJSA-N	423.557	3.999	10	20	HHCD	
CC(C)Cc1ncc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cn1	792363433	JBXUWUXNUMFKSZ-QGZVFWFLSA-N	417.513	3.990	10	20	HHCD	
CN(C)c1ccc([C@@H](CN[C@@H]2CCCc3nn(C)cc32)NC(=O)OC(C)(C)C)cc1	794816216	YBSZVSJADUWEDP-TZIWHRDSSA-N	413.566	3.719	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(C(=O)Nc2ccccc2)c1	795494575	QOSKBGYWHSYHTG-UHFFFAOYSA-N	415.493	3.706	10	20	HHCD	
CC1=C(Br)CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	797437939	WJEHMKJXZAWWPW-OAHLLOKOSA-N	408.340	3.668	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(I)cc2C)c(O)c1	797606358	APTVXSDRLOFNQY-UHFFFAOYSA-N	412.227	3.636	10	20	HHCD	
Cc1ncccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800636989	RWUYMUHQRFNXKJ-CQSZACIVSA-N	400.910	3.535	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccc(Cl)cc2)CC1	804460937	QNCFCWYVNKYNHK-UHFFFAOYSA-N	400.906	3.632	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)cc2)CC1	805023150	PHTPNRSSQIGFDF-AUSIDOKSSA-N	420.557	3.544	10	20	HHCD	
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806878388	QTTZTEPSLOVOPS-UWVAXJGDSA-N	422.520	3.525	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(Cl)c1Cl	807121763	ISZBEWKVUGVTRK-AWEZNQCLSA-N	418.324	3.863	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H]3OCCc4sccc43)CC2)cc1	813622893	UNUWHYRPBGZYJE-VFNWGFHPSA-N	415.559	3.727	10	20	HHCD	
COc1ccc(CCC(=O)N2CCCN(Cc3ccc(N(C)C)c(C)c3)CC2)cc1	815033022	SAUYQHDCUBBFOO-UHFFFAOYSA-N	409.574	3.737	10	20	HHCD	
C[C@H](N[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)cc1	815082166	CCPKNCGSKIAVQD-IXFSTUDKSA-N	411.521	3.675	10	20	HHCD	
O=C1c2ccccc2N[C@@H](c2c(O)cccc2Br)N1C[C@@H]1CCCO1	877845295	GBEDTCSWHBEPIG-KPZWWZAWSA-N	403.276	3.900	10	20	HHCD	
COc1ccc(-c2noc(CCC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)n2)cc1	914440220	UCKAJKSTGYZRRV-UHFFFAOYSA-N	420.513	3.935	10	20	HHCD	
O=C(NC[C@H]1CCN(c2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	916579368	AQSYSWZGRNUEMO-DENIHFKCSA-N	409.530	3.609	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(F)cc2Br)cc1	917916075	CSAYUKQIHMYIHI-UHFFFAOYSA-N	415.328	3.913	10	20	HHCD	
CCC(CC)C(=O)N1CCC(NC(=O)NCc2ccc(N(CC)CC)cc2)CC1	918232537	ZLIGDEPKEFUGQM-UHFFFAOYSA-N	402.583	3.759	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c(C)n1-c1ccc(F)cc1	918578090	ZQLCTPYNKIHFFG-UHFFFAOYSA-N	419.500	3.760	10	20	HHCD	
Cc1occc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	919855483	SUJPAGGYUAJXHR-GDNBJRDFSA-N	406.554	3.947	10	20	HHCD	
CCOc1ccc(SCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	919968646	MPCUVFRCLDIBFY-UHFFFAOYSA-N	414.571	3.703	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccnn2C[C@@H]2CCOC2)cc1	1320410346	ZORDINRGNDEGFS-IBGZPJMESA-N	423.517	3.813	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)C24CC(C2)C4)C3)cc1	1845399634	STUVSQNSOOBYLH-UHFFFAOYSA-N	403.526	3.711	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1	13313352	PPGJCIVUMQMJQB-UHFFFAOYSA-N	422.934	3.849	10	20	HHCD	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1	18215189	RDQZZKDYNJZADM-KDURUIRLSA-N	423.557	3.851	10	20	HHCD	
O=C(COc1cccc(N2CCCC2=O)c1)N(Cc1ccco1)Cc1ccccc1O	96968566	QAHNGAJVIMZCKV-UHFFFAOYSA-N	420.465	3.720	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c(O)c1O	110000703	JUEVCVIMQWHTOE-SFHVURJKSA-N	415.442	3.669	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2=NO[C@H](c3ccccc3)C2)cc1	116539401	BVOPTYKQPYNTHV-GGAORHGYSA-N	407.514	3.778	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)c2)CC1	303775157	FYYQVJHYWUADIT-UHFFFAOYSA-N	406.574	3.923	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1Br	324799680	QAYINOXSEHZWIN-UHFFFAOYSA-N	411.321	3.859	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccn(-c4cc(C)ccc4OC)n3)CC2)cc1	726562109	FEMGQNKHOHTNID-UHFFFAOYSA-N	420.513	3.597	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c1	728978360	DODQRCRVRKWDCF-FAEJEUNOSA-N	402.535	3.833	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnc(C2CC2)s1	729324110	ZTTOBVZISWKVPS-UHFFFAOYSA-N	411.449	3.806	10	20	HHCD	
CC(=O)N1CCC(CNC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	729446177	NKIKANUDUOFAPS-UHFFFAOYSA-N	401.938	3.665	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3c(F)cccc3Cl)cc2F)CC1	730123691	UWPYGJHRGXNSOT-UHFFFAOYSA-N	422.907	3.760	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(C)Cc3cnn(-c4ccccc4)n3)cc2)CC1	731049872	SWXLDUYRPUDSBX-UHFFFAOYSA-N	418.545	3.845	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C1	731206440	HPYSTRBZKYOVJO-CQSZACIVSA-N	411.487	3.518	10	20	HHCD	
COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1	732484824	MMHJIXRVRZLSKT-NRFANRHFSA-N	418.453	3.899	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1ccccc1F	732911411	YVHTXWDUMGBSSB-UHFFFAOYSA-N	400.460	3.936	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)NC(=O)C2CCCC2)cc1	733154753	IBFKIXVZJVBMCN-GOSISDBHSA-N	423.557	3.989	10	20	HHCD	
O=C(COc1ccc(Br)cc1F)NCCCSc1nccs1	733879500	QYYQRBMFLUXWJL-UHFFFAOYSA-N	405.314	3.722	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	734191004	NOHCEHPUHAOKHY-YJBOKZPZSA-N	404.894	3.588	10	20	HHCD	
Cc1csc(-c2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cc2)n1	734702305	VUQJIQFTTDBQPQ-UHFFFAOYSA-N	408.527	3.748	10	20	HHCD	
CCc1nnc(COC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1C	735899551	XVKQNDWGDZELPD-UHFFFAOYSA-N	417.307	3.905	10	20	HHCD	
CC(=O)[C@@H]1CC(C(=O)N(Cc2ccco2)Cc2ccccc2O)=NN1c1ccccc1	735930698	OXVKJHPLUBCACT-QFIPXVFZSA-N	417.465	3.738	10	20	HHCD	
CCN1CCc2ccc(NC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc21	737190567	LQJWXKHSORMLBA-UHFFFAOYSA-N	420.557	3.560	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)cc1F	742252588	IIAJAZLSDUXNTL-OAQYLSRUSA-N	413.537	3.579	10	20	HHCD	
COc1ccc(N2CCN(CCNCc3ccc(OC(F)(F)F)cc3)CC2)cc1	742700478	MUOFSDIQIFFYQC-UHFFFAOYSA-N	409.452	3.506	10	20	HHCD	
CC(=O)Nc1ccc(F)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742799319	JKYHTDZMCSSVAL-OAHLLOKOSA-N	421.419	3.784	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NCc1cccc(OC)c1O)c1ccccc1Cl	745293341	PRFILLAPMMSIKQ-SFHVURJKSA-N	405.926	3.937	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O	745817340	YOSCMQNBFMJOFK-HXUWFJFHSA-N	412.509	3.617	10	20	HHCD	
CCCN(Cc1ccccc1F)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	746037717	KAPKXNRFQKWKLL-UHFFFAOYSA-N	414.521	3.978	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)c(C)n1-c1ccc(C(C)C)cc1	746817462	ZCRIWQCGJFJVMZ-VCHYOVAHSA-N	413.568	3.904	10	20	HHCD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	747410016	RHXSYNNURKAIRD-QSAZIKIQSA-N	418.484	3.928	10	20	HHCD	
CC(C)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1	748023831	LAFXYKMEHRPHKG-UHFFFAOYSA-N	422.451	3.687	10	20	HHCD	
C[C@H](CSc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405580	GXRDHPGSPOEQRR-MRXNPFEDSA-N	402.535	3.831	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1nccn1CCc1ccccc1	751604921	CBZVPICZLYVAJS-UHFFFAOYSA-N	403.530	3.725	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)cc1F	752967620	OJPQXXYPZAVHBG-GOSISDBHSA-N	420.916	3.741	10	20	HHCD	
Oc1cc(OCc2ccccc2)ccc1CNC[C@]1(O)CCN(Cc2ccccc2)C1	753565555	GDEWBAOGMAOECD-AREMUKBSSA-N	418.537	3.698	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(OCc4ccncc4)cc3)CC2)cc1F	753739505	FTKAWGKDCUFTHV-UHFFFAOYSA-N	421.472	3.771	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccn(Cc2ccc(F)cc2)c1=O	755839407	YFKOVRKRQGKHRJ-UHFFFAOYSA-N	421.472	3.942	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	759218570	RKEYBAZZBSZDNX-MRXNPFEDSA-N	403.523	3.515	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccccc1)c1cccs1	759596920	WRAKTDOZCZHOEJ-NAMLBJQJSA-N	409.463	3.622	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnccc1-c1ccccc1	760200906	PMBAUAIPMQOAOI-UHFFFAOYSA-N	402.498	3.802	10	20	HHCD	
COc1cc(F)c([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC	761304372	PPJQACYUBVSYCB-NSHDSACASA-N	422.840	3.727	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	764853437	DIUJCGMMHFHTOF-ACJLOTCBSA-N	404.942	3.660	10	20	HHCD	
C[C@@H](NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)c(F)c1	765312308	CVYZNZXEQNOMPV-MSOLQXFVSA-N	401.501	3.979	10	20	HHCD	
COc1ccc(OC2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1	768366005	BDOWFKKDDUMZKH-UHFFFAOYSA-N	400.494	3.714	10	20	HHCD	
Cc1cccc([C@@H](O)CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	769127935	SSZZUTGFZQNICJ-XLIONFOSSA-N	419.472	3.598	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)c1	769873977	YJBQPXIOFRRNPN-KRWDZBQOSA-N	416.524	3.539	10	20	HHCD	
C[C@@H](NCc1nc(COc2ccccc2)n[nH]1)c1cc(Br)ccc1O	769989638	VXICKSYEUCFIRJ-GFCCVEGCSA-N	403.280	3.703	10	20	HHCD	
C[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(N2CCCCC2)c(F)c1	773043293	YJDHJJAMPIEAAP-MRXNPFEDSA-N	402.535	3.997	10	20	HHCD	
C[C@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)c1ccc(N(C)C)cc1	773627237	NSAQOPNPPISPBW-INIZCTEOSA-N	414.937	3.521	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N(C)C)cc1	773860071	YKLYGVINXXLYFV-HNNXBMFYSA-N	414.937	3.822	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	775253755	DOZFWCXKCDEXMQ-OAHLLOKOSA-N	423.435	3.711	10	20	HHCD	
CN(C)c1ccc(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1	775485176	PHLIRQLSARGUSG-KRWDZBQOSA-N	409.349	3.523	10	20	HHCD	
CSc1ccc(-c2csc(NS(=O)(=O)c3cnn(CC(F)F)c3)n2)cc1	777668464	WYUOOCHBYOUJBU-UHFFFAOYSA-N	416.500	3.794	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@H](c4ccc(F)cc4)CC3)nc12	778244420	PSXFSEDSMPSUAF-OAHLLOKOSA-N	412.465	3.520	10	20	HHCD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1	779022944	MDFYVFHEMCPWPE-XMSQKQJNSA-N	417.594	3.630	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3cc[nH]c3n2)NC(=O)OC(C)(C)C)cc1	779523417	BGROSKFFPCJWGL-LJQANCHMSA-N	423.517	3.625	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12	781004620	IFHXEURZGFKAED-LLVKDONJSA-N	424.403	3.732	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-c3nnnn3C(C)C)c(F)c2)c1	783091671	DMDNIDFEJAWVJV-GFCCVEGCSA-N	414.441	3.657	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1F	783133318	IXYIMRSCSPHYQR-UHFFFAOYSA-N	416.453	3.757	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](CCn3cncn3)c3ccc(C)cc3)CC2)cc1	783239629	ZRFWNRKTEGYJTQ-DEOSSOPVSA-N	405.546	3.985	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCOCC2)c(F)c1	783594524	UNQPIRRTSXDNKN-MOPGFXCFSA-N	419.541	3.636	10	20	HHCD	
Cc1cccnc1C(F)(F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	783853967	UTPZSRBIWPOVEN-AWEZNQCLSA-N	411.399	3.868	10	20	HHCD	
COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2	785544059	PDCJOCVEQXXMIN-UHFFFAOYSA-N	422.509	3.660	10	20	HHCD	
C[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)CCN1C(=O)OC(C)(C)C	786257657	WWRAUFNMXUNEON-APWZRJJASA-N	419.591	3.502	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)c3cccc(Cl)c3)cc2)CC1	786661699	XRCQQJJELVZIKJ-UHFFFAOYSA-N	413.949	3.603	10	20	HHCD	
Cc1nc(Cl)ccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	790251023	CWFDETQGXGWBPD-UHFFFAOYSA-N	423.903	3.864	10	20	HHCD	
CC[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C)cc1O	794811901	UNCDHMLKWVFMDC-NRFANRHFSA-N	402.560	3.842	10	20	HHCD	
CCOCCO[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	799993353	GOVRGPGRNMVRCB-HKUYNNGSSA-N	423.985	3.913	10	20	HHCD	
Cc1noc([C@H]2CCCN(c3nnc(-c4cc(C)n(-c5ccccc5)c4C)n3C)C2)n1	800731569	JZOPJLZVDSZYEO-SFHVURJKSA-N	417.517	3.965	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](CC)c1cccc(S(N)(=O)=O)c1	802116523	HPHWPOZWODNAFQ-LJQANCHMSA-N	419.547	3.503	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCC[C@H]1c1cc[nH]n1	806683954	CXKPWXXPXBXIFN-IBGZPJMESA-N	419.476	3.917	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1csc(-c2ccccc2)n1	806920340	JIANOWIHQMCCPY-UHFFFAOYSA-N	407.495	3.649	10	20	HHCD	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807670252	CMKTVEOQPFFKOM-OAHLLOKOSA-N	421.463	3.997	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(CCC(F)(F)F)Cc1ccccc1)c1ccc(N(C)C)cc1	807672245	ANKRFMCVQAXTKU-INIZCTEOSA-N	421.463	3.911	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)Oc1ccc(F)cc1Br	808094973	MLQGETGXKQJVTD-LLVKDONJSA-N	417.271	3.863	10	20	HHCD	
COC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	808244934	DUWWXSFZMMXMQZ-KKSFZXQISA-N	417.937	3.925	10	20	HHCD	
CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1	808525623	FINMSTOMNOESCW-UHFFFAOYSA-N	422.553	3.795	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C/c3cn(C)nc3C(F)F)SC2=S)c1	812219781	PDIQCLDOLKYZAJ-MLPAPPSSSA-N	411.455	3.781	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](C)C(=O)Nc3cccc(N4CCCC4)c3)CC2)cc1	812829182	OCZYTOHVTLCHMQ-LJQANCHMSA-N	422.573	3.881	10	20	HHCD	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc(Cl)c(F)cc1Cl	815100301	DMJSRWXWBPJHQS-UHFFFAOYSA-N	417.289	3.620	10	20	HHCD	
Cc1ccc(C2(CNC(=O)c3cc(NS(C)(=O)=O)ccc3O)CCCC2)c(C)c1	857513017	AHZYVVXQEWWTMI-UHFFFAOYSA-N	416.543	3.622	10	20	HHCD	
C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)Cc1ccc(N2CCOCC2)cc1	857758517	JBCBPJPATIMPIC-RXVVDRJESA-N	413.587	3.769	10	20	HHCD	
CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	914613815	LAXRDLNXTRGYCN-UHFFFAOYSA-N	405.454	3.877	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1	914831319	VQOVVFRHTAEPAL-JOCHJYFZSA-N	423.557	3.805	10	20	HHCD	
Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	914903157	HBQDQIJWBSHKOM-IBGZPJMESA-N	405.498	3.702	10	20	HHCD	
Cc1cccc(OCCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	916458178	YACSWLOUBCFLND-UHFFFAOYSA-N	422.447	3.936	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)COc3cccc4ccccc34)CC2)cc1	917016921	FYZPHSIKPNOXOW-QFIPXVFZSA-N	406.526	3.800	10	20	HHCD	
CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)s1	917218291	KTEJBZVHPMPOJL-UHFFFAOYSA-N	421.569	3.925	10	20	HHCD	
O=C(NCc1cccc(Cn2cccn2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	918131496	IKJIDWPJKSIEFH-QFIPXVFZSA-N	420.513	3.528	10	20	HHCD	
CN(CCCCc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918220614	GBKOQJASNUCOKD-UHFFFAOYSA-N	413.537	3.951	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CCS(=O)(=O)CC(C)C)c2C)c1	919275179	GSOAVPVPUXWPMG-UHFFFAOYSA-N	419.543	3.589	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1c(F)cccc1Br	1201012558	KYXJMKNQFLQTIL-UHFFFAOYSA-N	413.312	3.667	10	20	HHCD	
O=C(NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1)c1cc(O)nc(O)c1	1790466818	MFAFIOJTBWJMGC-HNNXBMFYSA-N	407.470	3.597	10	20	HHCD	
Cc1noc(Cl)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	110147588	KXCLWSDBCGYJGG-GOSISDBHSA-N	405.926	3.843	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnn(-c3ccccc3F)c2)cc1	261388364	ONCYFDYMGKFPDI-OAQYLSRUSA-N	422.504	3.899	10	20	HHCD	
COC1=CC(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)=S=C1[S@](=N)(=O)O	442312543	YDJNVXIGPFCKSU-UHFFFAOYSA-N	421.500	3.503	10	20	HHCD	
Cc1c(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)n(C)c2ccccc12	473268004	GQEOMDVQIIOGIV-QFUCXCTJSA-N	403.530	3.731	10	20	HHCD	
C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	728937880	AXOZDEVTLZJMGX-INIZCTEOSA-N	402.489	3.619	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1	728951062	YTAYYCIFOUPVDW-LSDHHAIUSA-N	403.910	3.941	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(OC)c(Br)c2)c1	728955261	NFVONNPFJWUNGM-NSHDSACASA-N	409.280	3.732	10	20	HHCD	
CC[C@H](CC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(C)C	729759439	DEVQOTKIWSDTGX-JENIJYKNSA-N	422.541	3.671	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cccc(Br)c3)cc2F)CC1	730193212	ZLEPPUQNPQFENS-UHFFFAOYSA-N	420.326	3.660	10	20	HHCD	
Cc1c(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)nnn1-c1ccccc1	731015649	ZMRISBVSKLPEBQ-UHFFFAOYSA-N	403.530	3.671	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1-c1ccc(OC(C)C)cc1	731341548	HUGKKQSUOQACPP-UHFFFAOYSA-N	419.529	3.893	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc([C@H](C)OC)c2)cc1F	731408427	KMQHJBMAVSUBHU-HNNXBMFYSA-N	401.482	3.634	10	20	HHCD	
COC(=O)CN(CCC(=O)Nc1ccccc1Cl)Cc1cc(Cl)ccc1O	731847741	YHDUPYYJIMHDDG-UHFFFAOYSA-N	411.285	3.703	10	20	HHCD	
COC(=O)CN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1cc(Cl)ccc1O	732203023	LNXVEMBBOYIMHN-UHFFFAOYSA-N	422.268	3.523	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1	737182606	HFKKKRZMQQZTGI-LBPRGKRZSA-N	411.458	3.655	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1	740739967	LCDNLECFMPGHCZ-RUZDIDTESA-N	421.585	3.926	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCN(Cc2ccccc2)CC1	741092009	POQPXFFHYZXMPX-UHFFFAOYSA-N	404.558	3.869	10	20	HHCD	
CC(C)n1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n1	742749664	JKYMPDPAAUEZDU-LJQANCHMSA-N	415.538	3.526	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)NC(=O)OC(C)(C)C)cc1	742753851	LYZNJRJKUBRGEW-HXUWFJFHSA-N	415.509	3.816	10	20	HHCD	
CCc1noc(C)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742755047	UWXKBPYFMFYFQT-GOSISDBHSA-N	416.522	3.607	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1c(SC(F)F)nc2ccccc21	742951921	APRNSZVYNDWLIG-UHFFFAOYSA-N	418.469	3.843	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccc(CCn2cc(Br)cn2)cc1	743192010	PNYXAYXQFZXEJU-UHFFFAOYSA-N	415.291	3.916	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCC[C@@H]1CN1CCOCC1	743375534	TZMIDWBQCOFGRS-QGZVFWFLSA-N	405.336	3.605	10	20	HHCD	
CN(C)c1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	743421536	LOTLGFYVECKTJT-UHFFFAOYSA-N	408.546	3.776	10	20	HHCD	
COC(=O)[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c2ccccc2O1	744093545	RJHBSNZRZGVHQT-JOCHJYFZSA-N	420.465	3.684	10	20	HHCD	
C[C@H](C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccco1	745130254	YRRUXXVTQVJFNN-UONOGXRCSA-N	417.417	3.729	10	20	HHCD	
CC(C)C[C@@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903251	FBTRDJWBCQBTDC-FUHWJXTLSA-N	411.493	3.713	10	20	HHCD	
Cc1nnc(-c2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c2)o1	746019266	WVLNDHSJYKHHEA-QFIPXVFZSA-N	420.513	3.932	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2ccccc2C)C2CC2)c1	746710232	XCQFXPZXBSYLFO-UHFFFAOYSA-N	408.542	3.900	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](COC)Cc1ccccc1	746778359	AHDJQPYVEDXATF-SFHVURJKSA-N	421.335	3.944	10	20	HHCD	
CN(CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)Cc1ccccc1O	750044120	DDFFWRHRDISJKS-HSZRJFAPSA-N	414.933	3.974	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1F	750638609	JCJNFOBUIHNFKK-SJORKVTESA-N	420.529	3.575	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1	750664223	WXVZMJRWIHZULM-QFIPXVFZSA-N	417.509	3.532	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C	751937782	WKCBOWUACCGLJV-YRBFXIGRSA-N	415.559	3.802	10	20	HHCD	
CCOc1cc(C)ccc1CNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	756968201	NDMXORUBUFRYKB-UHFFFAOYSA-N	401.482	3.573	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(C)cc1	760146084	RTRTVBJZFSALQJ-UHFFFAOYSA-N	418.541	3.900	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCC[C@H]3CCCCO3)cc2F)C[C@@H](C)O1	760654894	FEBMCHGVQHLFEF-ZHALLVOQSA-N	407.530	3.588	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@H](c2cccc(Cl)c2)N2CCOCC2)c1O	761208339	ZAMFZCPMQMLCFA-GOSISDBHSA-N	411.329	3.871	10	20	HHCD	
CCO[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C12CCCCC2	761484531	UDFHOBLQRKGMAW-QZTJIDSGSA-N	406.910	3.938	10	20	HHCD	
O=C(CN1CCCC[C@@H]1c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	762635817	VPAQYZUPIQVVQC-JOCHJYFZSA-N	411.521	3.506	10	20	HHCD	
COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1I	763204383	HEJDITJBYWOUKV-UHFFFAOYSA-N	424.282	3.638	10	20	HHCD	
CCS(=O)(=O)c1cccc(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	763759021	ROFCSPZQPQJLSX-UHFFFAOYSA-N	414.571	3.575	10	20	HHCD	
Cc1c(NC(=O)c2ccccc2)cccc1NS(=O)(=O)c1cccc2nonc12	765054099	UPULHRCGPFJKLC-UHFFFAOYSA-N	408.439	3.584	10	20	HHCD	
C[C@H](NC1CCN(Cc2ccncc2)CC1)c1ccc(N2CCOCC2)cc1Cl	765106349	OMKHNHZFXHJFNZ-SFHVURJKSA-N	414.981	3.887	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1	767877654	WBPNXSNFGCDQDU-UHFFFAOYSA-N	412.534	3.835	10	20	HHCD	
Cc1ccc(S(=O)(=O)N(CCC(=O)NCc2ccccc2O)c2ccccc2)cc1	769364013	XVKVVCQJGZKXIC-UHFFFAOYSA-N	424.522	3.602	10	20	HHCD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773744854	FGNCXGFKVODQQI-ZDUSSCGKSA-N	413.905	3.974	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)sc(C)c1CC	775371763	RJXITNPEWUCHCH-LBPRGKRZSA-N	420.531	3.799	10	20	HHCD	
COc1cc(Cl)ccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	776077757	NIEYEEKLPOMYKG-UHFFFAOYSA-N	407.873	3.771	10	20	HHCD	
CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	778244556	LRCIOTAAWKDAKE-AOMKIAJQSA-N	403.954	3.730	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1O	779029872	LAQUDMXMGYTDRC-KSSFIOAISA-N	403.320	3.915	10	20	HHCD	
Nc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	779103277	GPNCSEGDGNAXEZ-UHFFFAOYSA-N	420.385	3.783	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C	784029253	CGIQXQGZDIGRQS-UHFFFAOYSA-N	422.529	3.954	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCC2(CCCCC2)O1	790628542	ALPBLQGYQXCIOZ-NRFANRHFSA-N	401.551	3.547	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)c1ccc(N(C)C)cc1	793954712	JRRFUCVEXFNRQQ-LBPRGKRZSA-N	416.934	3.509	10	20	HHCD	
COc1ccc(CNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c(O)c1	794378479	VVTQILXOKJTQAY-UHFFFAOYSA-N	417.465	3.646	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@@H](N3CCCC3)C[C@@H]2C)c(C)n1-c1ccc2c(c1)OCCO2	796427490	IKKKAFABDBBQBX-UWJYYQICSA-N	423.557	3.607	10	20	HHCD	
CO[C@]1(C)CCCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	796499731	FFNDLROFWFYWDW-IVCQMTBJSA-N	420.509	3.680	10	20	HHCD	
Cc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@H](C)S(C)(=O)=O)cc1	798074306	XJWCBRVDHDISHS-XGHQBKJUSA-N	417.575	3.596	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O	801619953	IZJOJPUNCZXJBR-UHFFFAOYSA-N	409.486	3.875	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	802500415	OFDXNHWGVPVIDO-HXUWFJFHSA-N	409.534	3.591	10	20	HHCD	
O=C(c1cccc(O)c1O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1	804628823	SAWBNIKHSFAFBN-UHFFFAOYSA-N	400.784	3.732	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@@H](c1ccccc1)N(C)C	807403329	YVBZGYSEGYBMEE-DYVFJYSZSA-N	406.324	3.645	10	20	HHCD	
COc1cc(Cl)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1C	808921169	OBALTXKCHUGOJM-UHFFFAOYSA-N	415.921	3.853	10	20	HHCD	
COc1ccc(C[C@@](C)(O)CN[C@H](C)c2cc(Br)ccc2O)cc1OC	810256167	WLHNHPWAOGCAAM-ZUOKHONESA-N	424.335	3.816	10	20	HHCD	
Cc1cccc(Br)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	811271502	KXFZCKOEKLTGKW-UHFFFAOYSA-N	419.319	3.639	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1OCCc2sccc21	813869769	LJIWEULARIVWQR-XPIZARPCSA-N	416.543	3.847	10	20	HHCD	
COC(=O)COc1cccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1	917627412	LFDMRPSAJVIMGN-UHFFFAOYSA-N	406.482	3.618	10	20	HHCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	917709500	ZHZOROZGGMYELK-LZNRXBQRSA-N	406.542	3.756	10	20	HHCD	
Cc1nc2cc(F)cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2nc1C	919968220	GOQFKFHKECWKSO-UHFFFAOYSA-N	422.504	3.524	10	20	HHCD	
Cc1cc(CCNC(=O)c2cccc(N3CCNC3=O)c2)c(C)n1-c1ccccc1	1329251763	IDXOBIVYDPDEBW-UHFFFAOYSA-N	402.498	3.596	10	20	HHCD	
CC(=O)CCC(=O)OCC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	8066255	HXEXHCVCYHNRDE-UHFFFAOYSA-N	406.276	3.952	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)COc2cccc(N3CCCC3=O)c2)cc1	24187657	DWABJGSIDRECQC-UHFFFAOYSA-N	409.530	3.697	10	20	HHCD	
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	72053976	WMFQZQGXTZOCAH-ORAYPTAESA-N	403.523	3.663	10	20	HHCD	
Cc1cccc(-n2ncc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2C)c1	145632324	STPNURGMVKZLEN-SFHVURJKSA-N	404.514	3.817	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3csc(I)c3)ccc21	303304735	PJWUHTIMKRIBRR-UHFFFAOYSA-N	412.296	3.665	10	20	HHCD	
Cc1cc(-c2nc(COc3ccccc3F)no2)ccc1NC(=O)C1=S=CC=C1	436085598	UZRYDEHRKGBQAF-UHFFFAOYSA-N	409.442	3.979	10	20	HHCD	
O=C(NCc1ccc(Cn2cncn2)cc1)N(Cc1ccco1)Cc1ccccc1O	726090031	ZIVKJVCDJKOMMB-UHFFFAOYSA-N	417.469	3.537	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1	726274725	SYOUDSMTYISDLA-UHFFFAOYSA-N	413.518	3.801	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(Br)ccc3O)CC2)cc1	726628289	WRSSBBSJTTWWGS-UHFFFAOYSA-N	405.292	3.562	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@@H](C)NC(=O)C2CCCC2)c(C)n1-c1ccccc1	727199156	CNNGEOHFVOYQOD-MRXNPFEDSA-N	410.514	3.905	10	20	HHCD	
Cn1ccnc1[C@](O)(CCNCc1cc(-c2ccccc2)ccc1O)C(F)(F)F	727645498	NNKPYIJMESQUPZ-HXUWFJFHSA-N	405.420	3.723	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3c(F)cccc3F)ccc21	728637462	LXXXQQAXSNEWAY-UHFFFAOYSA-N	416.424	3.978	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCOc3ccc(C)cc3C)cc2F)CC1	730194578	LNDMMKWKTZLATC-UHFFFAOYSA-N	413.537	3.670	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1	730385399	DCQVDYRFESIVHM-NSHDSACASA-N	402.451	3.865	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCN(c4ccc(F)cc4)C3=O)cc2)CC1	731016734	WMOIQRNHPSYLRR-JOCHJYFZSA-N	409.505	3.731	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(OCC(=O)OC)cc2)cc1F	731398332	IQBLFOHWFYWGTR-UHFFFAOYSA-N	403.454	3.545	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1F	731403577	PCKLCVJWODJEJX-UHFFFAOYSA-N	413.472	3.996	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1F	731409476	SYYAGLMRSPMZPU-UHFFFAOYSA-N	421.900	3.897	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNCc3cc(-c4ccccc4)ccc3O)cc2)CC1	733330611	FAZDNXZJNKJEEB-UHFFFAOYSA-N	422.550	3.584	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1ccc(N2CC=CC2)cc1	740920404	XPVUPYSLUOKNEX-UHFFFAOYSA-N	401.514	3.865	10	20	HHCD	
COc1ccc([C@@H](C)CCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	743555496	ZUFXCYVCGOBFLX-KRWDZBQOSA-N	415.509	3.664	10	20	HHCD	
COc1cc(/C=C\C(=O)NCc2ccc(N(C)C)cc2)cc(Br)c1O	744380814	PJRVLJWQEPLKSX-TWGQIWQCSA-N	405.292	3.559	10	20	HHCD	
O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1O)OCc1ccccc1	748345626	FUPQGZFYHKECFV-OAQYLSRUSA-N	404.466	3.546	10	20	HHCD	
CCOC(=O)/C(=C\c1cnc2c(c1)c(C)nn2C)c1nccn1Cc1ccccc1	748514243	VDCKUFCGXSCUNL-MOSHPQCFSA-N	401.470	3.625	10	20	HHCD	
O=C(COc1ccc(N2CCCC2)cc1)Nc1cccc(I)c1	749791472	OIXQXSXVPJRSOY-UHFFFAOYSA-N	422.266	3.909	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCC(C)(C)c3cccc(OC)c3)CC2)cc1	749885058	DICBTZBTUAZAQZ-UHFFFAOYSA-N	411.546	3.903	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCCO[C@H](C)c3ccccc3)CC2)cc1F	753828015	KKYBFRBGDZIOSN-GOSISDBHSA-N	415.509	3.834	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	753963423	KQEAFNWJRCFFMC-KFWWJZLASA-N	403.498	3.854	10	20	HHCD	
C[C@H](NC[C@H](O)c1ccco1)c1cc(Br)cc(Br)c1O	756382811	UWDNLCGDFHUXHU-UFBFGSQYSA-N	405.086	3.894	10	20	HHCD	
C[C@H](NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cc([N+](=O)[O-])ccc1O	756396858	MJAAARPAATYRTB-QMMMGPOBSA-N	415.759	3.866	10	20	HHCD	
C[C@@H](NCCCc1nnc2n1CCCCC2)c1cc(Br)c(F)cc1O	756534549	JUFKEMSOLNNHGR-GFCCVEGCSA-N	411.319	3.895	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cccc3c2oc(=O)n3C)c(C)n1-c1ccccc1	757800515	ODSOJTSAKIJLTR-UHFFFAOYSA-N	404.422	3.579	10	20	HHCD	
COc1cc(N2CCN(Cc3ncc(Cl)cc3Cl)CC2)cc(OC)c1OC	759887590	WBADBAMNFDIFBJ-UHFFFAOYSA-N	412.317	3.736	10	20	HHCD	
CN1CCCc2cc(CN3C(=O)[C@@H](c4cc(F)c(F)c(F)c4)N(C)C3=O)ccc21	761181336	UGVJGNHGBYWLTE-LJQANCHMSA-N	403.404	3.622	10	20	HHCD	
COc1cc(N2CCN(Cc3nc4ccc(F)cc4s3)CC2)cc(OC)c1OC	763195290	QLQKYXSQSAXADX-UHFFFAOYSA-N	417.506	3.783	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	764806919	UACLELUDZOBCCM-NVXWUHKLSA-N	405.292	3.874	10	20	HHCD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	765977856	WKZTVORVUKMPIM-AEFFLSMTSA-N	418.335	3.501	10	20	HHCD	
COC(=O)CN(Cc1ccc(OCC(F)(F)F)nc1)Cc1cc(Cl)ccc1O	766885562	VIIJULUGSAKICL-UHFFFAOYSA-N	418.799	3.557	10	20	HHCD	
CCO[C@@H](C)c1nc(CN2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)cs1	769502266	IZBNINVQPKRWMB-INIZCTEOSA-N	406.571	3.764	10	20	HHCD	
COc1ccccc1OCC(=O)Nc1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1	770497302	TXSYBBUDKVYRHC-UHFFFAOYSA-N	423.425	3.939	10	20	HHCD	
Cc1cc2c(N3CCC[C@H]3C(=O)NCc3ccc4c(c3)CCCN4C)ncnc2s1	770526707	AVWPXVNFBBPBOD-FQEVSTJZSA-N	421.570	3.667	10	20	HHCD	
COc1ccc(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC(F)F	773265839	JLCRYTIWJFRIJL-AWEZNQCLSA-N	407.461	3.966	10	20	HHCD	
CC(C)[C@@H](CNC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	775256437	XZKHPRXKOYXBTJ-GBXCKJPGSA-N	409.574	3.730	10	20	HHCD	
CC[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(Cl)c(Cl)c1O	775546033	QYBPQILZKDJIOH-OAHLLOKOSA-N	410.301	3.867	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2[nH]c3ccc(Br)cc3c2C1	779496387	AFMGEQMCTMRQIR-KXFIGUGUSA-N	413.271	3.940	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1O	783118832	AEDDAZGMQNAJDC-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc2ccccc2s1	783240128	NMWNVNFCELDIMM-INIZCTEOSA-N	400.569	3.987	10	20	HHCD	
Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784107685	ABVLTZXDDZROKC-UHFFFAOYSA-N	409.534	3.822	10	20	HHCD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1	785298604	WTGPLJGPEXZOCE-CABCVRRESA-N	416.543	3.983	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)CC1	786660446	XHHPETAVMGTWMC-UHFFFAOYSA-N	423.532	3.622	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCN(c4ccccc4)C3)CC2)cc1	788957271	KDWHIHGCQNHWAH-HXUWFJFHSA-N	422.573	3.880	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1	789269229	KIGXJAGCDIJYGG-UHFFFAOYSA-N	407.522	3.656	10	20	HHCD	
Cc1cccc(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	792115548	NFKFDSDDUYJWNZ-KRWDZBQOSA-N	404.461	3.502	10	20	HHCD	
O=C1/C(=C\c2ccnn2-c2ccc(F)cc2)SC(=S)N1CCc1cccnc1	794863453	VYWKQCGJGHJYKN-LDADJPATSA-N	410.499	3.850	10	20	HHCD	
O[C@@H]1CCC[C@@H]1N1CCC(NCc2ccc3c(c2)CCN3Cc2ccccc2)CC1	796320586	PWHYRJLMQNWIPA-IZZNHLLZSA-N	405.586	3.717	10	20	HHCD	
CNC(=O)COc1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1	796333606	RJEBAYSVRXAOHP-UHFFFAOYSA-N	401.510	3.986	10	20	HHCD	
CC[C@H](NCCc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccc(F)cc1O	796751923	CXJWDPZMFOGCGO-KRWDZBQOSA-N	414.568	3.907	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccccc2)c(O)c1	797389509	LIFOJAOPGCPAHC-UHFFFAOYSA-N	410.857	3.976	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C	797631866	MOJKEDBZFFZDPF-AWEZNQCLSA-N	400.475	3.735	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2OC	802609811	LHQDJCGKMTUQEL-FQEVSTJZSA-N	412.486	3.630	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1c(C)nc2nc(SC)nn2c1C	802658324	UPYZLWNCLCPJKT-UHFFFAOYSA-N	413.547	3.540	10	20	HHCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)cc1	806170135	OSKVJXYAPFIECM-HTAPYJJXSA-N	411.546	3.612	10	20	HHCD	
Cn1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc2ccccc2c1=O	808272966	UBZMTVDBVKTTKD-UHFFFAOYSA-N	408.413	3.566	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4cccc(C)c4s3)cc2)CC1	808420220	UMHJFGBIBJGVBI-UHFFFAOYSA-N	407.539	3.808	10	20	HHCD	
CCOc1cccc(CN(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)c1O	809765551	OZNSQCWRJBMSRZ-UHFFFAOYSA-N	413.562	3.908	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cc4c(cc3O)OCO4)CC2)C1	811517575	WODPINWZADIHNZ-MRXNPFEDSA-N	404.507	3.590	10	20	HHCD	
COCCOCc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1	812542074	PPBRVMMFNPBKKV-UHFFFAOYSA-N	411.546	3.632	10	20	HHCD	
O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	912754008	FEAXZQWZYBBVKW-BOPFTXTBSA-N	422.397	3.838	10	20	HHCD	
C[C@H](c1ccco1)N(C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	914496336	WWAAUFXRYPKSJP-GFCCVEGCSA-N	404.378	3.796	10	20	HHCD	
O=C(NC[C@H](c1ccccc1)N1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	915878133	KCLXQMLUXLPNQC-DHIUTWEWSA-N	423.557	3.920	10	20	HHCD	
CCN(CC)CCN(CC(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1	916624817	RTFQVVHKGZCCRV-UHFFFAOYSA-N	406.640	3.749	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Br)c2)cc1	918430263	VESPYZZEIMVAFS-UHFFFAOYSA-N	404.308	3.550	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1	919827163	GXIKRJCJCNIVEM-UHFFFAOYSA-N	424.906	3.991	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1Cc1ccccc1	920882428	QHKMPAMYWQTVBI-SFHVURJKSA-N	404.514	3.567	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCC4)C3=O)c2C)cc1	4404774	OOJRPZSAWBENAC-UHFFFAOYSA-N	409.486	3.540	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(OC)c1	209501236	KPOXKWAMJQQADY-LZYBPNLTSA-N	401.465	3.808	10	20	HHCD	
O=C(CNC(=O)N(Cc1ccco1)Cc1ccccc1O)Nc1ccc(Cl)cc1	726237013	IUSGWUBSDDWFEX-UHFFFAOYSA-N	413.861	3.989	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3nc4ccccc4s3)CC2)cc1	726708602	OJVXUIMCILASDJ-UHFFFAOYSA-N	410.543	3.816	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nc(C2CC2)no1	727940067	VRMWPXMAEOGDJJ-GOSISDBHSA-N	415.563	3.697	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	729879563	FZJFQUMNQFWMMY-UHFFFAOYSA-N	402.319	3.643	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1cscn1	732092518	DHCQXXUPHQAYFU-ZROIWOOFSA-N	423.610	3.545	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H]1c1ccc(F)c(F)c1	732997355	XZLYCGDNZODZIF-NRFANRHFSA-N	401.457	3.848	10	20	HHCD	
CCN1CCN([C@@H](C)CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	733160555	DTWKSYZDMMWFOG-KRWDZBQOSA-N	402.970	3.503	10	20	HHCD	
CCc1cccc(CC)c1S(=O)(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	736332306	CBVDNHLDKXLKRG-QGZVFWFLSA-N	402.560	3.688	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@H]2CN(Cc3ccccc3)CCO2)ccc1N1CCCCC1	743621849	GKTNPAXVBWAWAP-QFIPXVFZSA-N	424.545	3.576	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(C)c(N4CCOC4=O)c3)CC2)cc1	746734412	XPVMLIWMCIOSDJ-UHFFFAOYSA-N	424.501	3.751	10	20	HHCD	
Cc1noc(C)c1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	748636528	LXFKCBIWOZLXCP-UKTHLTGXSA-N	407.542	3.973	10	20	HHCD	
Oc1ccccc1CN(Cc1nc(COc2ccc(F)cc2)no1)C[C@@H]1CCCO1	749297956	NVJYCQRZBZVLIT-IBGZPJMESA-N	413.449	3.675	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1Cc1ccccc1	751084708	HIGCTEHWWCEJMT-WMZHIEFXSA-N	406.574	3.921	10	20	HHCD	
CCc1ccccc1-n1cc(O)c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)n1	752796971	LPWPVJPHKFWOHQ-UHFFFAOYSA-N	420.513	3.548	10	20	HHCD	
CCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C1(CC)CC	752918814	ZWNZHMSSYHSYBE-LEWJYISDSA-N	403.567	3.648	10	20	HHCD	
COC(=O)CCN(Cc1ccncc1)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	753711786	BAMNBHPFNGQNER-UHFFFAOYSA-N	421.497	3.703	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](Cc3ccccc3)c3cccs3)nc12	754367310	KNKUPHPYGKWJDW-SFHVURJKSA-N	422.510	3.747	10	20	HHCD	
COCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	754551447	WROBFYSHZFDLCG-UHFFFAOYSA-N	401.418	3.740	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)cc1	756458697	JZSUKMLVXJPFSA-KDOFPFPSSA-N	406.523	3.697	10	20	HHCD	
C[C@H](NCCc1ccc(OCCN(C)C)cc1)c1ccc(Br)cc1O	756550379	RDISISLOXVOELE-HNNXBMFYSA-N	407.352	3.988	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1	756770400	NDBUKJCZPOIIJS-UHFFFAOYSA-N	420.513	3.532	10	20	HHCD	
CNC(=O)CCOc1ccc(N[C@@H](C)c2cc(Br)c(F)cc2O)cc1	757595558	VWFOKILOJYNXSW-NSHDSACASA-N	411.271	3.982	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1ccc(N2CCOC2=O)cc1	759570499	PGNGZYBWMKGONU-ZDUSSCGKSA-N	406.533	3.642	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cnccc1-c1ccccc1	760235282	CXWVYMGZEALZAA-UHFFFAOYSA-N	401.466	3.588	10	20	HHCD	
Cc1c(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cnn1-c1ccccn1	764527827	SQVXFQSYSJWTTJ-UHFFFAOYSA-N	403.514	3.562	10	20	HHCD	
COc1cc(Br)cc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O	768249306	QUBKSPUMHKGFCD-CQSZACIVSA-N	415.328	3.605	10	20	HHCD	
Cc1sc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)nc1-c1ccc(F)cc1	769717305	VGVVCZYFETWXOX-UHFFFAOYSA-N	421.475	3.587	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1F	770564494	UGAHSWDMJZAFIH-UHFFFAOYSA-N	406.505	3.996	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CC=C(c2ccc3c(c2)OCCO3)CC1	771429578	ZLTAVWRXPYJBBQ-UHFFFAOYSA-N	417.556	3.895	10	20	HHCD	
Cc1cnccc1OC1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	772360026	NBVQREMSVOQCBL-LJQANCHMSA-N	424.545	3.541	10	20	HHCD	
CCN(CC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1)C(=O)OC(C)(C)C	774909930	QGVXTUTVWZODKF-UHFFFAOYSA-N	423.510	3.778	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNC[C@H](O)c1ccc(F)cc1	775168257	OWTYBYWZCZZYPJ-AWEZNQCLSA-N	419.088	3.880	10	20	HHCD	
O=C(c1cccc(O)c1O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1	776328277	RGYNYWLNUFIRAM-UHFFFAOYSA-N	412.486	3.923	10	20	HHCD	
COC(=O)N1CCC([C@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	776809111	XQYOOPYCYWKTDF-INIZCTEOSA-N	404.511	3.542	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1cccc(Br)c1	778255324	OTLIKSBEMGSPSY-ORAYPTAESA-N	405.336	3.742	10	20	HHCD	
Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	778607587	NNLULUSZEZFAJZ-UHFFFAOYSA-N	406.534	3.613	10	20	HHCD	
Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)OCC(=O)c1ccc(O)c(O)c1	784384292	AORBIRPFYBUODD-UHFFFAOYSA-N	420.343	3.855	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F	784747057	RLDKWSZPHNXLTN-IRXDYDNUSA-N	420.391	3.955	10	20	HHCD	
C[C@@H](OC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccncc1	785408816	ZMNPIJOTOLIVJL-GFCCVEGCSA-N	404.469	3.568	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)c1ccco1	785550709	MVGXMJYSIPUQCE-HSZRJFAPSA-N	419.525	3.988	10	20	HHCD	
Cc1cc(Br)cc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2=O)c1O	789593288	CTZXDJFCLXZZSO-GOSISDBHSA-N	403.320	3.696	10	20	HHCD	
COc1cc(N2CCN(Cc3ncc(C(C)(C)C)s3)CC2)cc(OC)c1OC	790922107	LUANPWAKBMKRMJ-UHFFFAOYSA-N	405.564	3.789	10	20	HHCD	
COc1ccc(CNCc2ncc(Br)cc2Br)c(O)c1	793386305	KSJRLXHVIUYARA-UHFFFAOYSA-N	402.086	3.611	10	20	HHCD	
Cc1cnn(C)c1S(=O)(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1	795550541	XBFXDHQQVHIXTD-UHFFFAOYSA-N	403.316	3.960	10	20	HHCD	
COc1ccccc1-n1nccc1/C=C1\SC(=S)N(CCc2ccccn2)C1=O	797398412	MYMHYNYZKNWADU-RGEXLXHISA-N	422.535	3.720	10	20	HHCD	
CC(C)CS(=O)(=O)CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800047413	LDBYFCKPHHOJNL-MRXNPFEDSA-N	414.999	3.653	10	20	HHCD	
Cc1cc(C(=O)CN(C)Cc2nncn2C)c(C)n1-c1ccc(Cl)c(Cl)c1	805824167	XGVDXOLSPJQNFU-UHFFFAOYSA-N	406.317	3.844	10	20	HHCD	
CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)NCCCSc2nccs2)cc1	806276562	HBQGPCCQQWPIIJ-HNNXBMFYSA-N	405.589	3.612	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@@]4(C)[C@H](C3)C4(Cl)Cl)CC2)cc1	806683936	OTRLFDAXLPPXFZ-HKUYNNGSSA-N	412.361	3.889	10	20	HHCD	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	807192499	OQTXGESPDOHKDV-HARLFGEKSA-N	423.557	3.522	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCC(F)(F)[C@@H](C)C1	810045828	WXOWIDGZNZGTQG-KBPBESRZSA-N	412.436	3.766	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c1	811823293	VFHIHGXAPLBYPC-UHFFFAOYSA-N	408.526	3.696	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)c(O)c1	811935495	LRARJJPPQMAGJC-UHFFFAOYSA-N	420.465	3.757	10	20	HHCD	
CCN(C[C@H](C)OC)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	813320744	XQLYMAWMDJKMMJ-WZMONFQBSA-N	412.602	3.613	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1OC	814171323	KFLQGEPCPXCJEN-MRXNPFEDSA-N	406.523	3.821	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCC1CC(F)(F)C1	816790372	WLZUKXITBBWVCO-QPEQYQDCSA-N	416.540	3.891	10	20	HHCD	
C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@@H]1C	881232291	QJCYWEGGHRRLRQ-SNUQEOBHSA-N	406.438	3.925	10	20	HHCD	
O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	912757953	RJHCFPQAERGSND-YBEGLDIGSA-N	421.409	3.658	10	20	HHCD	
Cc1cc(CCNC(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)n1-c1ccccc1	915334142	AESKCLZWSLTQAP-UHFFFAOYSA-N	411.527	3.862	10	20	HHCD	
O=C(NC[C@@H](O)COc1ccccc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915785669	TYSUAQHGXZSRBI-HXUWFJFHSA-N	418.453	3.597	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCCN1C(=O)c1ccco1	918486033	MEUSAZGWOGSWQV-OAQYLSRUSA-N	409.530	3.923	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1	918702435	UNBDRVAVBZHSBY-UHFFFAOYSA-N	407.436	3.598	10	20	HHCD	
CC(C)c1ccccc1OCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970555	LMFUIYMITMYGJP-UHFFFAOYSA-N	400.494	3.605	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c(C)n1-c1cccc(Cl)c1	919977178	HQQSTEAUGULOQO-UHFFFAOYSA-N	418.906	3.615	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(F)c(F)c3)cc2F)C[C@H](C)O1	920343733	DQDFGNQSJJZRJD-KBPBESRZSA-N	407.436	3.717	10	20	HHCD	
COc1ccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3OC)n2)cc1OC	921233934	FGBMXGKGKUJGOW-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)ccc1F	1331680180	NGPJGASSJWEVPH-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1cccc(C(F)(F)F)c1	3524688	YSPOGXVYBPMVEF-UHFFFAOYSA-N	409.360	3.727	10	20	HHCD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	65435152	MGCGGYZZHSLJGW-IAGOWNOFSA-N	410.518	3.603	10	20	HHCD	
C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	145711093	VUGXGUVVCRNSMQ-OAHLLOKOSA-N	408.420	3.798	10	20	HHCD	
COc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1F	302635863	OQPKUSFVXFOPON-FQEVSTJZSA-N	400.494	3.651	10	20	HHCD	
O=C(NCCSC(F)(F)F)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726611184	NLRNMFXTANYYNH-UHFFFAOYSA-N	413.412	3.809	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H](N2CCCC2)C1	726722894	XFOABWCTRSBDLY-IBGZPJMESA-N	422.520	3.527	10	20	HHCD	
COc1ccccc1N(Cc1ccccc1O)C(=S)NCC(C)(C)CN(C)C	727067875	RYMGUBHCXDXMLH-UHFFFAOYSA-N	401.576	3.870	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c2c(nc3ccccc13)CCC2	728300605	OACLHKFMRGJVQO-UHFFFAOYSA-N	401.510	3.832	10	20	HHCD	
CCOc1ccc(OC)cc1NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	729786693	RMGUHONSRXZAIO-UHFFFAOYSA-N	413.518	3.537	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3c(C)[nH]c4ccccc34)cc2F)CC1	730194428	HWYIKFGACNNYCA-UHFFFAOYSA-N	408.521	3.616	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC3CCN(C(=O)C(C)(C)C)CC3)cc2)CC1	731049988	ZPWFDUJPCAVYTK-UHFFFAOYSA-N	414.594	3.759	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2nnc(Cc3ccccc3F)s2)c1	731117059	RDCHJYYREILWNV-LLVKDONJSA-N	402.451	3.865	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@]3(O)CCCc4ccccc43)ccc21	731370139	MUWWCNJNHDNTAX-RUZDIDTESA-N	406.526	3.858	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)Cn3nnnc3-c3ccccn3)c2C)c1	731838033	ZUEWROHSLNULJL-UHFFFAOYSA-N	404.499	3.747	10	20	HHCD	
COc1ccccc1-c1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)no1	735519016	NHNMDGDVVLRNPT-QGZVFWFLSA-N	408.454	3.877	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1	736657016	OPHZGOODBJWEOB-AZUAARDMSA-N	411.521	3.998	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCSCc1nc(O)c2ccccc2n1	739688240	LZLHEQZJMLGGJU-UHFFFAOYSA-N	410.543	3.683	10	20	HHCD	
CN(c1ccc(CNC(=O)Cn2cc(C(N)=O)c3ccccc32)cc1)C1CCCCC1	742416293	UHPWRFVOFIPWHI-UHFFFAOYSA-N	418.541	3.826	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2cc3c(cc2O)OCO3)CC1	742558382	NPFZBTVVDALYSF-QGZVFWFLSA-N	404.507	3.732	10	20	HHCD	
CC(C)(C)OC(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)CC1CC1	742590434	YIIHTZBDYCYQAT-UHFFFAOYSA-N	401.551	3.940	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCc2nnc(-c3ccccc3)o2)C2CC2)cc1	749204650	UCIXJOHPUREKNP-UHFFFAOYSA-N	405.502	3.719	10	20	HHCD	
C[C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CNC(=O)OC(C)(C)C	749834697	FXSWAXVKLXHJRF-MRXNPFEDSA-N	406.527	3.836	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c(C)n1-c1ccc(F)cc1	753027852	XSNZRFBSRUKOCE-QFIPXVFZSA-N	420.488	3.549	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnc(Br)cc3C)CC2)cc1F	754460361	VCLZRLDLGCBCBI-UHFFFAOYSA-N	423.286	3.654	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3ccncn3)c2C)cc1	755642811	ITJUHDUCXAOFGA-UHFFFAOYSA-N	407.470	3.642	10	20	HHCD	
CCc1c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1CC(C)C	757903983	ALBYWRPNPDAOHG-UHFFFAOYSA-N	413.566	3.632	10	20	HHCD	
O=C1NCCN(Cc2c(O)ccc3ccncc23)[C@H]1c1ccc(C(F)(F)F)cc1	758377520	YDKQLFFHGGSQAJ-IBGZPJMESA-N	401.388	3.632	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1	758419322	DIYYOAOTXFWSJR-XMMPIXPASA-N	424.589	3.623	10	20	HHCD	
CCC(CC)(CC)CNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759288164	SICMTAOCRBTMAH-UHFFFAOYSA-N	407.555	3.760	10	20	HHCD	
CC(C)CCC1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1	760159879	RESZJKXIGNWYHT-OAQYLSRUSA-N	414.594	3.746	10	20	HHCD	
Cc1ccc(CN(CC[C@H]2CCS(=O)(=O)C2)c2ccc3c(c2)OCCO3)s1	760857576	RQYYOAPYSBMLMQ-INIZCTEOSA-N	407.557	3.659	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1	763585423	ZYSYHGFHJBUEDH-MRXNPFEDSA-N	404.917	3.965	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1cccc(Br)c1O	764807800	WCHSXTIMBRPAIA-DIFFPNOSSA-N	411.271	3.869	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@H](c1ccco1)N1CCCCC1	765448011	XAHZONZSGXVEPF-MRXNPFEDSA-N	422.323	3.774	10	20	HHCD	
O=C(Cc1ccc(F)c(Br)c1)NCc1cccc(Br)c1O	765765209	PUTRHXJIJLJIID-UHFFFAOYSA-N	417.072	3.915	10	20	HHCD	
C[C@H](NC(=O)NC1CC(OCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	766086322	DLMITJWUHZWQQU-RHKCVOJBSA-N	409.530	3.631	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(OC)c(OC)cc3OC)CC2)cc1	766151447	LZIPXELPUKMKKN-UHFFFAOYSA-N	415.490	3.512	10	20	HHCD	
COc1cccc(CNC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)c1O	768285870	HYDUYTZGENSQST-UHFFFAOYSA-N	406.523	3.882	10	20	HHCD	
C[C@@H](NC(=O)Cc1cc(Br)ccc1F)c1ccc(N2CCOCC2)cc1	771249753	GOKMLCLRZBYTIH-CQSZACIVSA-N	421.310	3.845	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C(=O)C3CC3)CC2)cc1	772028272	OOEBLFUNZYLJBN-UHFFFAOYSA-N	405.502	3.862	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1	772688441	OLMPSRFVPSWYNW-GOTSBHOMSA-N	421.545	3.839	10	20	HHCD	
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	772996829	SQYJESBICZMBPG-IERDGZPVSA-N	414.525	3.737	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(N(C)C)cc1	773023629	JTYHQAXFPXBGCU-GFCCVEGCSA-N	415.437	3.505	10	20	HHCD	
C[C@H](NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(N(C)C)cc1	773132742	VRJBLLYYNJMESA-AWEZNQCLSA-N	403.910	3.780	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	773760556	BTYRIQYLLIWLER-NSHDSACASA-N	423.366	3.802	10	20	HHCD	
CCS(=O)(=O)c1c(Cl)cccc1/C=C1\SC(=S)N(c2cccnc2)C1=O	774120225	KUHPPTKKPPUAOF-ZROIWOOFSA-N	424.956	3.934	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(-c3cccnc3)nn2CCO)c(C)n1-c1ccc(F)cc1	775105386	AXPYCAHYMQUMNJ-UHFFFAOYSA-N	419.460	3.736	10	20	HHCD	
C[C@H](NCC(=O)NCCc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	775258556	DVWQQKCFCCIKQR-FQEVSTJZSA-N	423.601	3.830	10	20	HHCD	
COCC[S@@](=O)Cc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775625298	VQTQECGHFIKCLB-DEXQXJORSA-N	403.548	3.530	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@H](c2ccc(F)cc2Cl)C1	775732675	YIQLJRYSZYLWSF-NRFANRHFSA-N	419.928	3.577	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	777822648	JMGQBTWXZHWQDC-MAUKXSAKSA-N	420.431	3.893	10	20	HHCD	
Cc1ccc(F)cc1CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	778077480	LUTHDXAYUVZDHJ-UHFFFAOYSA-N	409.484	3.680	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NC3CCN(c4nccs4)CC3)CC2)cc1	781469935	FOJOEMVOHKDVPD-UHFFFAOYSA-N	408.518	3.972	10	20	HHCD	
O=C1/C(=C/c2cn(-c3ccc(F)c(Cl)c3)nn2)SC(=S)N1c1cccnc1	782886222	BJKLKVOLDQRIOV-UUASQNMZSA-N	417.878	3.861	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1	784109767	XNIXAHHGWLUJRB-UHFFFAOYSA-N	403.486	3.821	10	20	HHCD	
CCCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H](C)C(=O)Nc1ccccc1C	787335814	VKAKRCGHYDHWPZ-OAQYLSRUSA-N	408.590	3.986	10	20	HHCD	
CCN(C)c1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1	790948417	HYCJNQUJZAPMCM-UHFFFAOYSA-N	408.468	3.683	10	20	HHCD	
CC(C)N(C)c1ccc(CNCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1	790948956	NPDTVCGQRHJKLT-HDICACEKSA-N	400.542	3.969	10	20	HHCD	
COc1cccc(C2=NO[C@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)C2)c1	792225457	IUHZHAYNGFWINZ-QFIPXVFZSA-N	406.438	3.716	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(CN4CC[C@H](O)C4)c3)c2C)cc1	794567885	NPWDMKZTDUSBOZ-QFIPXVFZSA-N	419.525	3.922	10	20	HHCD	
Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)N(C)Cc2ccccc2O)c1	799833083	KWYADQMBGRLMPS-UHFFFAOYSA-N	404.466	3.877	10	20	HHCD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800048822	IPRRPUWHUICZQE-AWEZNQCLSA-N	419.913	3.696	10	20	HHCD	
Fc1cc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)ccc1N1CCOCC1	800310621	CPFQNJKNESWURS-JOCHJYFZSA-N	404.913	3.807	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnn(CCO[C@H]2CCCCO2)c1C	801546435	PAIMKYIVXJHSFA-QFIPXVFZSA-N	415.534	3.883	10	20	HHCD	
COc1cc(Br)cc(CN2CCCC[C@@H]2COC(=O)NC(C)C)c1O	809720283	CUSNFGUEAYUCNK-OAHLLOKOSA-N	415.328	3.652	10	20	HHCD	
CCSc1cccc(F)c1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	811788729	JSJMGKWOHLGGSM-UHFFFAOYSA-N	421.513	3.642	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](c3ccc(F)cc3)c3nc[nH]n3)cc2F)C[C@@H](C)O1	815561578	JTZYJXCQDZCHNS-LRAJWGHMSA-N	413.472	3.576	10	20	HHCD	
CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2cccc(C(F)(F)F)c2O)CC1	815573903	XOEVMQABYZOQSR-HNNXBMFYSA-N	421.463	3.930	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc3ccccc3c2O)s1	816541314	JMEMOELJVYWMJQ-UHFFFAOYSA-N	404.557	3.927	10	20	HHCD	
Cc1cc(C(=O)OCc2nc(COc3ccc(F)cc3)no2)c(C)n1-c1ccccn1	914907702	VKXLTTNQEGOFHL-UHFFFAOYSA-N	422.416	3.947	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@H]3CCC[C@@H](C)C3)cc2F)C[C@@H](C)O1	917058813	YOFYSSIVRKDXFC-XSYGEPLQSA-N	405.558	3.566	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(Cn4ccnc4)c3)cc2F)C[C@@H](C)O1	917710665	CNGYRFIZGFBUNW-QZTJIDSGSA-N	422.504	3.614	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H](C)c3ccc(C)cc3)CC2)cc1	918196516	CQEBDNGJLHEVAT-FQEVSTJZSA-N	410.562	3.576	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	918228839	MYIUGEFNXCMYMW-UHFFFAOYSA-N	424.589	3.741	10	20	HHCD	
O=C(CSCc1ccc(Cl)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970551	LBWPKWOLYLCWDG-UHFFFAOYSA-N	422.953	3.990	10	20	HHCD	
O=S1(=O)CCCN1c1ccc(-c2nnc(C3=S=C4CCCCCC4=C3)o2)cc1	1257839862	HXFFAQREUKTNFQ-UHFFFAOYSA-N	415.540	3.607	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(Nc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	1318148138	OZYPHGYBIAPFMQ-LJQANCHMSA-N	408.546	3.870	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cc(F)ccc1I	1323707859	SFUMFJMSTCATKV-UHFFFAOYSA-N	417.565	3.872	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(NCc2ccco2)s1	7104480	ZDVNDQDGWZVTBD-UHFFFAOYSA-N	417.560	3.560	10	20	HHCD	
C[C@H](NC(=O)c1cc(F)cc(Br)c1)c1ccc(N2CCOCC2)cc1	109179506	KBBJZZDYCZOPNF-ZDUSSCGKSA-N	407.283	3.916	10	20	HHCD	
COc1ccccc1CN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	117644214	DSYBVQKBRHIOOP-IAGOWNOFSA-N	415.509	3.790	10	20	HHCD	
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(C)c2ccc(OC)c(OC)c2)c1	143279637	KOFHGHMTGSBGQC-IBGZPJMESA-N	414.502	3.521	10	20	HHCD	
Cc1ccc(Cn2cccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)c2=O)cc1	541100841	PMQNMRGPCJEZSF-UHFFFAOYSA-N	418.497	3.702	10	20	HHCD	
CCOc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc1OC	726196760	AVMPPMKJOWHUQX-AQTBWJFISA-N	400.525	3.933	10	20	HHCD	
COc1ccccc1N1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1	728194007	DEOSRZPRBOOQJS-UHFFFAOYSA-N	418.493	3.660	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCCNC(=O)c2ccccc2)cc1	728839930	YBJCWIRLPIKUPG-UHFFFAOYSA-N	421.463	3.854	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)c1	729280082	JTIQZFAKHFGWAR-YWZLYKJASA-N	400.475	3.529	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@H](c2ccccc2F)C1	730672506	IZEVRVJZSCSIDY-KRWDZBQOSA-N	415.484	3.625	10	20	HHCD	
COc1cc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)cc(OC)c1OC	731848074	QNZWONYZAZYMJU-UHFFFAOYSA-N	414.502	3.801	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cc(O)cs2)c(C)n1Cc1ccc2c(c1)OCO2	732354077	ZGGFHRYPKIEPHR-UHFFFAOYSA-N	413.451	3.689	10	20	HHCD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	732469731	OJMOWBMUODMGAS-PZJWPPBQSA-N	417.594	3.983	10	20	HHCD	
C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccnc1	733385504	HUHVQLCVWKRBSL-LBPRGKRZSA-N	402.362	3.683	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c1	734016208	HIUJWAFRCMJGGB-UHFFFAOYSA-N	417.531	3.843	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1	740907220	LOIOKOBFPLDDLO-FXAWDEMLSA-N	418.582	3.978	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(F)c1	740919758	LTZFQGAXLWBKFB-NRFANRHFSA-N	405.477	3.524	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(-c3cnn(C)c3)c2)cc1	741679178	MIVAFYCQKBTTMU-DEOSSOPVSA-N	418.541	3.975	10	20	HHCD	
Cc1ccc(-n2[nH]c(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2=O)cc1	742242707	FBQBYIIVFPZKHX-UHFFFAOYSA-N	404.514	3.737	10	20	HHCD	
CCCn1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1	742720903	MSHXUSWYNQTTBP-GDNBJRDFSA-N	420.585	3.975	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1	743179496	WTYQQFYBDAMBNN-UHFFFAOYSA-N	416.547	3.542	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)N(C)Cc3ccc(N(C)C)cc3)n2)c1	743703159	IMZCVUVFDMWQEL-HNNXBMFYSA-N	409.490	3.714	10	20	HHCD	
O=C(Nc1cccc(Cl)c1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743974732	GKXJYRUBHITSGN-HNNXBMFYSA-N	423.847	3.665	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C12CCC2	745850197	HJADXWYCVNMOQB-ATZDWAIDSA-N	423.504	3.904	10	20	HHCD	
CCc1cc(N2CCC(NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CC2)ncn1	748663226	IFFWNUHUOYXKLM-UHFFFAOYSA-N	424.593	3.694	10	20	HHCD	
COc1ccc(Cn2cc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cn2)cc1	751301419	BPHNVAPLYLJHJC-UHFFFAOYSA-N	424.464	3.902	10	20	HHCD	
COC(=O)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc(F)cc1	751930646	IMXOGSGIGJFXIZ-SFHVURJKSA-N	400.431	3.526	10	20	HHCD	
O=C1C[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c2ccc(F)cc2N1	754537488	PLAFPTYMTAGVIT-IBGZPJMESA-N	414.392	3.666	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc1F	754635023	FNUKTHFIVJVNLQ-UHFFFAOYSA-N	414.206	3.632	10	20	HHCD	
COc1cc(CN2CCN(C3CCN(C(C)C)CC3)CC2)c(O)c(C(C)(C)C)c1	754741450	PRFJLUHGPZVLGQ-UHFFFAOYSA-N	403.611	3.689	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cc(Cl)ccc2O)s1	756480136	RDPGMIVDFQPMQE-GFCCVEGCSA-N	402.969	3.988	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCOc1ccc(Br)cc1	759573319	DJHPSUZGBGDJCA-UHFFFAOYSA-N	416.366	3.766	10	20	HHCD	
COc1cc(Cl)cc(CNCC(=O)Nc2ccc(Br)cc2C)c1O	761198747	SZQIMEQEWQTVEX-UHFFFAOYSA-N	413.699	3.853	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCn1cnc2ccccc21	761751374	GOARBBAQQLWPTG-UHFFFAOYSA-N	402.292	3.943	10	20	HHCD	
Cc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c(C)n1-c1cccc(Cl)c1	761754168	MLKHTQPDNXONGN-HXUWFJFHSA-N	401.938	3.731	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)C[C@@H](C)C2)c(C)n1-c1cccc(Br)c1	762541180	XNWFAMDSVOBPSF-CANCMXDXSA-N	423.376	3.697	10	20	HHCD	
C[C@@H](N[C@@H](c1ccccc1F)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764815994	SAJKWLCWASRUHX-ZHRRBRCNSA-N	412.484	3.975	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1cccc2ccccc12	764863127	IFBHGLSBPCYUAJ-HSZRJFAPSA-N	406.526	3.548	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C(=O)Nc1cccc2ccsc12	765903693	JZSJRXDPLAYDHZ-UHFFFAOYSA-N	405.273	3.624	10	20	HHCD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	765977860	WKZTVORVUKMPIM-SJLPKXTDSA-N	418.335	3.501	10	20	HHCD	
CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccn1	766135899	JLVBASDUECQECA-UHFFFAOYSA-N	410.518	3.637	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1F	766250274	LPEWUDWZDTVZER-IBGZPJMESA-N	423.435	3.776	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC(O)(Cc2cccc(F)c2)CC1	771337744	SGJHJVIQWUDLKG-UHFFFAOYSA-N	409.552	3.544	10	20	HHCD	
C[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(N(C)C)cc1	773021704	SOAAKDKHDLWFQR-CYBMUJFWSA-N	424.282	3.613	10	20	HHCD	
C[C@H](NS(=O)(=O)c1cc(F)ccc1Br)c1ccc(N(C)C)cc1	773083271	DMCWGYNCGLLVGP-NSHDSACASA-N	401.301	3.694	10	20	HHCD	
CC(C)(C)OCc1ccccc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	773398958	DFRMWCTZTXXTLY-UHFFFAOYSA-N	409.530	3.956	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)c1cn(C)c2ccccc12	773611545	OBEUWSRSSGTOTM-AWEZNQCLSA-N	414.889	3.843	10	20	HHCD	
C[C@H](NC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	775259346	IAPYCBUFZBXLMU-BSRJHKFKSA-N	418.965	3.966	10	20	HHCD	
C[C@@H](NCC1(CN[C@H](C)c2ccc(N(C)C)cc2)COC1)c1ccc(N(C)C)cc1	775834015	JAIYDPVREXMBIG-WOJBJXKFSA-N	410.606	3.837	10	20	HHCD	
COCC(=O)Nc1cccc(CN[C@H](C)c2cc(Br)cc(C)c2O)c1	779004369	VUCJNZMGNQPLDJ-CYBMUJFWSA-N	407.308	3.899	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3nc(C4CCC4)cs3)cc2)CC1	789487674	VXYOFZLLCAWDNM-UHFFFAOYSA-N	412.559	3.902	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]nc1-c1ccoc1	789961243	IUPIZYUTKIJXJD-AWEZNQCLSA-N	402.401	3.670	10	20	HHCD	
C[C@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cc(F)cc(F)c1O	793573419	QXBRJDLRXZTMEX-AMXDTQDGSA-N	415.440	3.746	10	20	HHCD	
CCOC(=O)c1cc(NCc2ccc(N3CCN(CC)CC3)c(F)c2)ncc1Cl	795090310	ZVFOXZRUCVIMCN-UHFFFAOYSA-N	420.916	3.805	10	20	HHCD	
c1ccc(CN2CCc3cc(CNCc4ccnc(N5CCOCC5)c4)ccc32)cc1	796264472	OTIOOPKPVPBQOY-UHFFFAOYSA-N	414.553	3.771	10	20	HHCD	
COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1cc(Cl)cc(Cl)c1O	796407432	LVWSPJXUMAJKMV-UHFFFAOYSA-N	417.314	3.760	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1	796525638	ZSSXSJIACLUXEV-KDURUIRLSA-N	416.566	3.541	10	20	HHCD	
CCOCCOCc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C	797632364	BNLSXJXKCHDAPK-HNNXBMFYSA-N	402.491	3.712	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccccc1Oc1ccncc1	801498799	DTGILTFZJFDCPD-UHFFFAOYSA-N	419.481	3.755	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc2cc(Br)cnc12	806561738	ZICYWGXSWXRHGW-UHFFFAOYSA-N	402.248	3.773	10	20	HHCD	
CN(C)c1ccc(CN(Cc2cccc(NS(C)(=O)=O)c2)Cc2ccco2)cc1	809731768	PRKJQSPJVGWTGT-UHFFFAOYSA-N	413.543	3.920	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(C2CC2)n(C)n1)c1ccc(N)cc1	810393182	KUIVDETZXGOCQN-OAHLLOKOSA-N	403.486	3.613	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2nnc3ccccc3n2)c1C	811314928	CTNNZKVPEUHXEF-UHFFFAOYSA-N	400.438	3.780	10	20	HHCD	
CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(N[C@@H](CCc1ccccc1)c1ccccc1O)C2	815625872	OPSZDJIWNQJQQU-FIXSFTCYSA-N	421.585	3.739	10	20	HHCD	
Cc1ccc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1F	914704289	XGUUMNDMAMPNAX-UHFFFAOYSA-N	407.414	3.741	10	20	HHCD	
Cc1cc(C)c(/C=C\C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1C	917833973	FIGQKLGIJCOYPH-GIVJRHHMSA-N	405.542	3.643	10	20	HHCD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1	918082078	YSABIIICAMPFNV-KSSFIOAISA-N	401.482	3.503	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCSc2ccccc21	918184978	WBQGGKGWTRPYJF-NRFANRHFSA-N	411.571	3.932	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCc2cc(F)c(F)cc21	918308630	OZRPEXUQBCKKKK-UHFFFAOYSA-N	413.468	3.503	10	20	HHCD	
CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	918456892	ORFVOIBUDUTERE-UHFFFAOYSA-N	422.529	3.539	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1	920924452	AZZVGNZDBAXIQW-ZDUSSCGKSA-N	422.312	3.646	10	20	HHCD	
CCc1cc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Cl	1317873121	NRFSAVWCPJOMDG-UHFFFAOYSA-N	402.922	3.776	10	20	HHCD	
CN1CCN(c2ccc(CN(C)C[C@@H]3CCN(Cc4ccccc4)C3)cc2F)CC1	1319712006	OCULCXUJFOBVGR-QHCPKHFHSA-N	410.581	3.531	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cc4cccc(OC)c4o3)CC2)cc1	1322422700	FTGAWERFAVGVJA-UHFFFAOYSA-N	409.486	3.918	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccccc3Oc3cnn(C)c3)CC2)cc1	1322690073	XDFDYRUSZVCFNA-UHFFFAOYSA-N	406.486	3.574	10	20	HHCD	
Cc1sc(=O)n(CC(=O)Nc2c(Cl)ccc3nonc23)c1-c1ccc(F)cc1	1327168224	YZZFSMRSWNVZQU-UHFFFAOYSA-N	418.837	3.853	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3coc(-c4ccccc4)n3)cc2F)C[C@@H](C)O1	1337686835	ITKHBROKXXDDLT-IAGOWNOFSA-N	423.488	3.953	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC(C)(C)O)C3)cc1	1800513175	BQRWXIPMHATNEO-QQFNCUIESA-N	423.557	3.507	10	20	HHCD	
CC(=O)N1CCC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1	10619176	CJFVDXUYKJUHIZ-FQEVSTJZSA-N	410.514	3.695	10	20	HHCD	
COc1cc(C(C)=O)ccc1OCCCC(=O)NCc1ccc(N(C)C)c(F)c1	116151205	PYBYNHQIEQDGPA-UHFFFAOYSA-N	402.466	3.578	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)c2c(c1)OCO2	195618260	DYLUQZNBICKRDO-UHFFFAOYSA-N	405.292	3.906	10	20	HHCD	
COc1cc(N(C)CC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OC	303927401	PZPAGLRCONBPHR-UHFFFAOYSA-N	423.307	3.858	10	20	HHCD	
O=C(NCc1cc(-c2ccccc2)on1)N(Cc1ccccc1O)C[C@@H]1CCCO1	726853298	YVMBOLGVLIVOOJ-FQEVSTJZSA-N	407.470	3.938	10	20	HHCD	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1ccc(N2CCOCC2)cc1	727105402	ZTLVBQQLGNQROK-HNNXBMFYSA-N	408.420	3.626	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c(OC)c1OC	727863965	NTONVHSVKKNDME-WJDWOHSUSA-N	416.524	3.551	10	20	HHCD	
COCc1ccccc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1	728836209	VIBBZKBBJNBZMX-UHFFFAOYSA-N	403.482	3.577	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCC(=O)Nc2cccc(Cl)c2C)c1	729048633	FDIPBXXNYUVBIH-ZDUSSCGKSA-N	405.882	3.752	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3nc(C(C)(C)C)cs3)CC2)cc1	729507235	XLLSHWJGMTXHHX-UHFFFAOYSA-N	402.564	3.871	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)C2CC2)cc1	730137596	XAXQNLITLYLIJT-GOSISDBHSA-N	414.500	3.984	10	20	HHCD	
C[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	733098207	XNDJNWJWYNLRRW-KXBFYZLASA-N	414.468	3.754	10	20	HHCD	
CCOC(=O)Cn1ccc2cc(NC(=O)NCc3ccc4c(c3)CCCN4C)ccc21	733631562	JNDFFWSDQKEEFB-UHFFFAOYSA-N	420.513	3.909	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1	734404502	HLTSOHRRWKWDPK-UHFFFAOYSA-N	409.511	3.886	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N(C)C)cc1C	734405053	RSDIAVYFYDIMLA-SBUREZEXSA-N	407.558	3.677	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(CCC)cc2)cc1	740812893	HXDLMJRNCGMQFZ-UHFFFAOYSA-N	410.561	3.982	10	20	HHCD	
COc1cc(N(C)CC(=O)NCCc2ccc(C(C)C)cc2)cc(OC)c1OC	741799351	ZVCADOBCVAXYPJ-UHFFFAOYSA-N	400.519	3.631	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)cc1F	742071874	UOFWTFUEIMXKCN-QFIPXVFZSA-N	417.500	3.501	10	20	HHCD	
CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c1C	743047082	XBXITKJMZJMAMZ-UHFFFAOYSA-N	410.496	3.592	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)oc(=O)n2C	743141901	YYXFSMNZTWIPOE-UHFFFAOYSA-N	420.263	3.654	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CCCN(Cc2ccccc2)C1	743566950	LJYMLJNEDCRCOU-FQEVSTJZSA-N	407.558	3.982	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1	744280851	YOCQRVDVNYWDKO-UHFFFAOYSA-N	414.594	3.903	10	20	HHCD	
O=S(=O)(c1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1)C(F)F	744402357	ODKGIMZCSXHSGF-QGZVFWFLSA-N	411.470	3.570	10	20	HHCD	
C[C@@H](OC(=O)CCC(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	745521801	NBJDHRIIPISMEO-LLVKDONJSA-N	419.355	3.675	10	20	HHCD	
Cc1ccccc1-n1ncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C	746011291	RWPJCWCCPIASLA-UHFFFAOYSA-N	422.504	3.519	10	20	HHCD	
CCN(CCC(F)(F)F)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	748461856	RRUDCXUTYLBJHA-OKILXGFUSA-N	405.436	3.923	10	20	HHCD	
CN(CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)Cc1ccc(F)cc1	748976114	GKTBGVADWVWBPT-UHFFFAOYSA-N	411.477	3.968	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1cc(F)ccc1F	751944113	BKTOEIODBUTGHM-LLVKDONJSA-N	417.437	3.778	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@@H](O)c1ccccc1Br	752015296	LVXRYADPJFHBTD-OXJNMPFZSA-N	406.320	3.869	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)cc1	753148047	BIGOPJCNOFWXKO-UHFFFAOYSA-N	408.546	3.504	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](Cc3ccccc3)c3cccs3)nc12	754367308	KNKUPHPYGKWJDW-GOSISDBHSA-N	422.510	3.747	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cccc(C)c3Cl)CC2)cc1	754832635	IFINVCFWQWEJLR-UHFFFAOYSA-N	401.938	3.599	10	20	HHCD	
C[C@@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1cc([N+](=O)[O-])ccc1O	756576094	YDHGCPPGYPPFEX-OAHLLOKOSA-N	421.457	3.868	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)c(F)cc1O	756712410	PUWYCDUTMWYPRR-MEBBXXQBSA-N	411.246	3.889	10	20	HHCD	
Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	758980958	QUXMCPKIEJTLDA-UHFFFAOYSA-N	418.497	3.846	10	20	HHCD	
CC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1C	759019905	KWIDFYRKVQFOTJ-UHFFFAOYSA-N	407.514	3.689	10	20	HHCD	
COc1ccc(N2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1F	760842987	HAZDAORLKIVFPH-UHFFFAOYSA-N	412.421	3.720	10	20	HHCD	
O=C1CN(Cc2ccccc2)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	761159551	MKOWYPNGUJFOPS-UHFFFAOYSA-N	415.440	3.721	10	20	HHCD	
CC(C)n1cc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1	762537638	IOQLITLCMQLLPF-CQSZACIVSA-N	402.454	3.679	10	20	HHCD	
O=C(NCc1cccnc1OCC(F)F)N(Cc1ccco1)Cc1ccccc1O	764516157	WSXGCIKIOAWUID-UHFFFAOYSA-N	417.412	3.936	10	20	HHCD	
COc1cc(F)c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OC	765286507	LWJOTFRKNHNOKN-CQSZACIVSA-N	406.473	3.794	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1cccc(Br)c1)c1ccc(N(C)C)cc1	765578710	YOPYOYZQFMPZPS-OAHLLOKOSA-N	404.352	3.986	10	20	HHCD	
COC(=O)C[C@@]1(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCOC1	766777437	GCPMQZNIBZNGMM-QFIPXVFZSA-N	410.474	3.620	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN([C@H](C)c3nccs3)CC2)cc1F	768333262	KTQVXWKAUDNDIQ-MRXNPFEDSA-N	419.570	3.717	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1occc1Br	771055757	DTZJZVMLHCYTOY-CYBMUJFWSA-N	413.699	3.796	10	20	HHCD	
C[C@H](NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(N2CCOCC2)cc1Cl	773067805	HIPGBLVVHRFIMF-PDIWNELESA-N	422.013	3.595	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(N(C)C)cc1	773609495	ABDJFAKJICKNSY-UZUQRXQVSA-N	416.566	3.856	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccc(Cl)cc1Cl	774645918	BMOOZEZGKAMWKL-UHFFFAOYSA-N	406.313	3.526	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1O	774967792	POBXAMDQAMPYIY-CYBMUJFWSA-N	416.905	3.756	10	20	HHCD	
CCOC(=O)C1CCC(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1	776021513	ZDGLEUHMUATOCW-UHFFFAOYSA-N	414.468	3.754	10	20	HHCD	
c1ccc2c(c1)nc(NCc1ccc(N3CCOCC3)cc1)n2CCCn1ccnc1	776721796	SRZHYOCKXBKXFE-UHFFFAOYSA-N	416.529	3.772	10	20	HHCD	
CCOC(=O)[C@H](NCc1cc(F)ccc1O)c1ccc(OC)c(Br)c1	779178772	RLZZAHXFVFHJDL-QGZVFWFLSA-N	412.255	3.696	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2[nH]c3c(Br)cccc3c2C1	779496981	DDGZMBSBSJKUAY-ALCCZGGFSA-N	413.271	3.940	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1	779518100	WKWJCWYEOGKJNH-LUJNMSEFSA-N	404.507	3.701	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3NC(=O)C(C)(C)C)c2)CC1	781273680	WRCVXIPCHJOKHL-UHFFFAOYSA-N	422.529	3.592	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1	785427241	BHIFGUDVGRVMGS-UHFFFAOYSA-N	415.537	3.640	10	20	HHCD	
COCc1ccccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	787503990	JFSJGXNUHWILSU-UHFFFAOYSA-N	410.514	3.516	10	20	HHCD	
Cc1cc(C)c([C@@H](C)NCC(=O)Nc2ccc(I)cc2)c(O)c1	788819507	SNUUMSMVSITRMK-CYBMUJFWSA-N	424.282	3.903	10	20	HHCD	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788938218	QFOYVSOTFNOMFD-VGOFRKELSA-N	409.505	3.652	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c(O)c1	794382522	CDPSTRINUXAQGZ-MGPUTAFESA-N	414.502	3.919	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN(Cc2cncs2)C2CCN(C(C)=O)CC2)c1O	795576667	FGHZKFNRIQDCJP-UHFFFAOYSA-N	421.950	3.718	10	20	HHCD	
Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1	795670551	XLFMNMXDKWJXMI-UHFFFAOYSA-N	406.446	3.907	10	20	HHCD	
CNS(=O)(=O)c1cc(NCc2ccc(N(C)C)cc2C(F)(F)F)ccc1C	796403795	AUSDIYJKYCKXKR-UHFFFAOYSA-N	401.454	3.600	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cccc(F)c3SC)cc2F)CC1	797863251	BMUMQOKMHBAMOK-UHFFFAOYSA-N	405.514	3.759	10	20	HHCD	
CC(C)n1cc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1	798270345	NHOXYFSGBYAFHC-HXUWFJFHSA-N	401.555	3.886	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@](C)(CNCc2ccc(N3CCOCC3)c(F)c2)C1	798274935	CJGFZVTVHSKKJO-HSZRJFAPSA-N	421.557	3.789	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@@H]3CCC[C@@H](c4ncccc4C)C3)CC2)cc1	798927412	SEMUOKFWVMBAIW-FGZHOGPDSA-N	408.590	3.837	10	20	HHCD	
COc1cc(N2CCN(c3nccc(C)c3Br)CC2)cc(OC)c1OC	804613447	ISIYWJWRPWTSBP-UHFFFAOYSA-N	422.323	3.505	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1	808093876	XKQBKSNSWNHDAD-UHFFFAOYSA-N	417.483	3.589	10	20	HHCD	
COc1ccc(N2CCCN(Cn3nc(-c4ccc(C)cc4)c(C)cc3=O)CC2)cc1	811737256	ZDSDBKMSQUDWPK-UHFFFAOYSA-N	418.541	3.706	10	20	HHCD	
CN(C)C(=O)CCN1CCC(N[C@@H](CCc2ccccc2)c2ccccc2O)CC1	815578200	JPEUJKLJEFDYLH-QHCPKHFHSA-N	409.574	3.598	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(F)c3Br)c2)CC1	816327085	VVVCWRJAWHDPLI-UHFFFAOYSA-N	420.282	3.509	10	20	HHCD	
Cc1cccc2c(=O)n(CCC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cnc12	914506139	XJOFEHPEGRXYAT-UHFFFAOYSA-N	406.530	3.598	10	20	HHCD	
COc1ccc(-c2noc(COC(=O)c3cc(C)n(-c4ccccn4)c3C)n2)cc1	914613528	FJQCUYSRAKQFSE-UHFFFAOYSA-N	404.426	3.905	10	20	HHCD	
O=C(NCc1ccccc1Cn1ccnc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916230880	PRAWQLXVALFWRJ-QFIPXVFZSA-N	420.513	3.528	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3c4ccccc4C[C@H]3C)cc2F)C[C@@H](C)O1	916967623	QVXNLLDZGFOMMA-KZNAEPCWSA-N	411.521	3.507	10	20	HHCD	
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cc2cc(C)c(C)cc2O)CC1	917457488	UHBQLXWJMWEGDC-NRFANRHFSA-N	402.922	3.694	10	20	HHCD	
Cc1ccc(/C=C\S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	917916801	CIIYDCPDWRORPK-DMSKUMDMSA-N	418.534	3.838	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1	918112599	GQHAETSNTPWIOY-QFIPXVFZSA-N	407.558	3.630	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N(CC)C(C)C)cc1	918304325	OLEYJMDLXHYXLZ-UHFFFAOYSA-N	410.562	3.975	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C)c(NC(C)=O)c2C)cc1	918308657	AIYNLIWVEKNXPI-UHFFFAOYSA-N	424.545	3.705	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCCOc3ccc(C(C)=O)cc3)CC2)cc1	1319615536	UBDTZCCUNZRILT-UHFFFAOYSA-N	410.514	3.796	10	20	HHCD	
O=C(NCc1ccc(NC(=O)C2CC2)cc1)NCc1cccc(Br)c1O	1326393209	FOVFRHZVUFUYQL-UHFFFAOYSA-N	418.291	3.503	10	20	HHCD	
Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)c1	1790283122	OTYSUMSOFONTGW-UHFFFAOYSA-N	417.465	3.863	10	20	HHCD	
Cc1ncoc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1845398135	CELMOJIKXSDCHK-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
C[C@H](NC(=O)Nc1cccc(Cn2cccn2)c1)c1ccc(N2CCOCC2)cc1	65454640	LEEQOULMTHIGNG-SFHVURJKSA-N	405.502	3.651	10	20	HHCD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	109179467	GRFHGULRLMQCLN-INIZCTEOSA-N	407.518	3.648	10	20	HHCD	
CCCCCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	147119078	KJRGGNUEJNTHEB-UHFFFAOYSA-N	409.530	3.511	10	20	HHCD	
Cc1nn(C)c2ncc(CN[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12	237901429	CHLMTYOCPVZFCT-MRXNPFEDSA-N	401.461	3.637	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)Cc2ccco2)cc1F	303924737	ZDOXAZPCYOFIBA-UHFFFAOYSA-N	412.417	3.844	10	20	HHCD	
O=C(Cc1occc1C(=O)N1CCc2cccc(F)c21)N1CCc2cccc(F)c21	498631637	NDQIVKLCDHPEIN-UHFFFAOYSA-N	408.404	3.893	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)n(C)c2ccccc12	564365496	WBEBYPUEGBLUAE-SFHVURJKSA-N	421.463	3.684	10	20	HHCD	
CCc1cccc2c1OCC[C@@H]2NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	725876818	MMWDFPQHSYXYGZ-QFIPXVFZSA-N	409.530	3.751	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726726052	KHZHOQFRBKBRLH-UHFFFAOYSA-N	417.456	3.574	10	20	HHCD	
CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	731131254	IHHBPFKDRXIBIG-UHFFFAOYSA-N	422.529	3.526	10	20	HHCD	
CC(C)NC(=O)Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	731859728	YFYIDULPQSFNTL-FQEVSTJZSA-N	411.502	3.744	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)c(F)cc1F	732525005	APGHOKYJONNMAX-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc2ccccn2c1	733922653	NYMHEXXJOJKNQX-UHFFFAOYSA-N	403.404	3.725	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(OCCN2CCCC2)cc1	734531109	GIRFTMXVBITBDF-UHFFFAOYSA-N	410.562	3.535	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)CC2)cc1	741517924	OGQBXCDGNLOBPQ-UHFFFAOYSA-N	423.557	3.776	10	20	HHCD	
CCCc1c(C(=O)NCc2cccc(OC)c2O)nnn1-c1cccc(C(C)C)c1	743331971	GDKOZJRQBCGLCD-UHFFFAOYSA-N	408.502	3.987	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc(Br)c2c(c1)OCCO2	743718097	YAILFDNIKTWANV-UHFFFAOYSA-N	418.287	3.735	10	20	HHCD	
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccc(N(C)C)c(F)c3)C2)c1	746805012	FTFDQHIOGDXJMC-SFHVURJKSA-N	412.509	3.760	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC1CCN(C2CCCCC2)CC1	747495740	NEIQZJKQMBGQME-UHFFFAOYSA-N	416.635	3.836	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CNC(C)(C)c1ccc(Br)cc1	747674962	JQSOIIAPLKVWBX-UHFFFAOYSA-N	418.379	3.998	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3cc(F)cc(F)c3)cc2F)C[C@@H](C)O1	748827837	UGVXNSCOCSSKGV-HUUCEWRRSA-N	421.463	3.759	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCN([C@@H](C)C(F)(F)F)CC3)cc2)CC1	749568928	IHAPAHMKPIRHDL-KRWDZBQOSA-N	412.500	3.701	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccn3Cc3ccncc3)cc2F)C[C@@H](C)O1	751348279	ZSNCFBHDHQUERZ-HDICACEKSA-N	422.504	3.614	10	20	HHCD	
CN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCN(CC(F)(F)F)C1=O	753547689	SHIGZDIOZJAHIT-GOSISDBHSA-N	408.420	3.566	10	20	HHCD	
CC(C)(C)OC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1	753650776	IGOCREOPOLNLPX-UHFFFAOYSA-N	400.475	3.914	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc(Cl)cc3F)cc2F)C[C@@H](C)O1	753822205	NXTIYWGDGFZCRD-ZIAGYGMSSA-N	424.875	3.927	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccccc1)c1cc(Br)cc(Cl)c1O	756398706	XXCJYGJAEYRHGJ-AAEUAGOBSA-N	400.700	3.899	10	20	HHCD	
C[C@H](N[C@@H]1CCN(C2CC2)C1)c1cc(Br)cc(Br)c1O	756531857	AJDVCKAYEKSTFN-GXSJLCMTSA-N	404.146	3.805	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CCCO[C@H]1c1ccccc1	761121213	GFUSZEQQBPNZDO-KKSFZXQISA-N	414.889	3.978	10	20	HHCD	
Cc1ncc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1	761431454	FNOUJGGCLOYUGG-OAHLLOKOSA-N	412.538	3.558	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cccc(OCC(F)F)n1	765319668	ASBRHIUJRFMEEJ-UHFFFAOYSA-N	408.474	3.600	10	20	HHCD	
COc1ccc(N2CCC(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1	765638301	JJJKUHAZEDDTLU-UHFFFAOYSA-N	410.518	3.831	10	20	HHCD	
CNS(=O)(=O)c1cccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1C	766097265	XLRVQZOHVKLVOI-UHFFFAOYSA-N	411.527	3.871	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(OC(C)(C)C)n1)c1ccc(N2CCOCC2)cc1	767205687	FOPHNPAXTPPQMF-QGZVFWFLSA-N	412.534	3.656	10	20	HHCD	
COc1cc(Br)cc(CN2CCC(C(=O)c3ccc(O)cc3)CC2)c1O	768227688	VNTXKBDALVHRTJ-UHFFFAOYSA-N	420.303	3.964	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CC=C(c4ccccc4Cl)CC3)nc12	768797686	KBTRUTNVSDBPHH-UHFFFAOYSA-N	412.877	3.554	10	20	HHCD	
CC[C@H](c1ccncc1)N(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	769937513	PXAYCBDDXBEXDF-OAQYLSRUSA-N	413.477	3.879	10	20	HHCD	
Cc1ccc(C)c(-n2ncc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2C)c1	772042566	NYFTWIZPABDIQV-UHFFFAOYSA-N	418.541	3.906	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(C(C)(C)C)c3)cc2F)C[C@H](C)O1	772369498	SRQSRSIXYDAJQH-GJZGRUSLSA-N	403.502	3.713	10	20	HHCD	
CC[C@@H](NC[C@H](O)COc1ccccc1Br)c1ccc(N(C)C)cc1	773054655	VYXRATHCAZIDJJ-PKOBYXMFSA-N	407.352	3.996	10	20	HHCD	
C[C@@H](NC(=O)N1CCCN(C(=O)c2ccccc2F)CC1)c1ccc(N(C)C)cc1	773629698	SCUJMAYMNKPAQD-QGZVFWFLSA-N	412.509	3.510	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2cc(Cl)c(Cl)cc2O)s1	774265478	NGLRDTICVBIIKS-SNVBAGLBSA-N	409.360	3.698	10	20	HHCD	
CC[C@H](NCc1ccccc1CS(C)(=O)=O)c1cc(Br)ccc1O	775513300	WDAOVYZCCGIZBS-KRWDZBQOSA-N	412.349	3.940	10	20	HHCD	
CCOc1cccc([C@H]2C[C@@H]2NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	775726940	BXNJHQVXBULJDY-YADHBBJMSA-N	411.571	3.994	10	20	HHCD	
CC[C@H](C)Oc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccn1	777756210	HSKNJZBCFZKIJB-FXAWDEMLSA-N	413.518	3.855	10	20	HHCD	
COc1ccc(N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c(OC)c1	780300473	DXGNBCMXVSFDSU-UHFFFAOYSA-N	412.389	3.901	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Br)ccc3F)c2)CC1	781046014	WSJKBQZSHRQMCV-UHFFFAOYSA-N	420.282	3.509	10	20	HHCD	
O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@@H]1c1ccccc1C(F)(F)F	781931578	YTVRXAGUNVJSPK-OAHLLOKOSA-N	402.775	3.877	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1	784026611	CECJSWTXLCLEOF-UHFFFAOYSA-N	421.375	3.930	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H](Oc2cccc(F)c2)C1)c1ccc(N2CCOCC2)cc1	784248695	WRZCXTKIIRPPCL-HTAPYJJXSA-N	413.493	3.586	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	788088300	KQGMRELXDWZPLC-BUKVSMQUSA-N	410.514	3.521	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3cc(OC)ccc3OC)CC2)cc1	788088684	AOGFTTYHMTURJA-RBBKRZOGSA-N	410.514	3.555	10	20	HHCD	
COc1ccc(F)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1OC	788226509	WTYAUQNBFKCUTO-ZDUSSCGKSA-N	424.419	3.843	10	20	HHCD	
Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1	788935047	AMWNWTVESDMKGW-DENIHFKCSA-N	405.542	3.616	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(CNC(=O)C(F)(F)F)CC2)c(C)n1-c1ccccc1	799172565	RYXFYJDGLLCPQM-UHFFFAOYSA-N	421.463	3.667	10	20	HHCD	
C[C@@](O)(CCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	801161890	IAOUJXOFUIHHIG-FDDCHVKYSA-N	418.484	3.757	10	20	HHCD	
Cc1cc(C(=O)OCc2ccc[n+]([O-])c2)c(C)n1-c1ccc(Br)cc1	802181645	QSABQFCQEXDZIB-UHFFFAOYSA-N	401.260	3.847	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CC(c3ccc(OC)cc3)=NO2)cc1	802362364	SMLRIFMCIDMYDH-QFIPXVFZSA-N	424.545	3.876	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)C2CC2)cc1	802498813	QSIAEXXJZBWNIH-HXUWFJFHSA-N	421.545	3.733	10	20	HHCD	
C[C@H](c1ccccc1)n1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1	804244799	IZGJMUIBQJOKDM-CQSZACIVSA-N	410.861	3.820	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(Cl)c1O	806139195	LDPVZUGNIDLXNH-IBGZPJMESA-N	408.951	3.521	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3cnc(Br)n3)c2C)cc1	806578561	UZDUNSJAILTQSP-UHFFFAOYSA-N	403.280	3.730	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)C2CC2)cc1	807177907	FUDPBMXGNLUKTB-QPPBQGQZSA-N	419.569	3.771	10	20	HHCD	
CC(=O)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C	808015682	VTFLILACWDWBBQ-UHFFFAOYSA-N	400.887	3.906	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3ccc(OC)c(OC)c3C)cc2F)CC1	808387416	PBKSTWRWANGFQG-UHFFFAOYSA-N	401.526	3.583	10	20	HHCD	
COCC(C)(C)CCCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	809245049	YNLDHCIVJHMKRG-UHFFFAOYSA-N	424.453	3.553	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCCc3ccccc3Cl)cc2)CC1	810696773	YXVIQFATMBDVKE-UHFFFAOYSA-N	413.949	3.648	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(CS(=O)(=O)C(F)F)cc1	813684157	LARCYUAPRCHRQF-UHFFFAOYSA-N	424.252	3.766	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	814156243	URLYDMJGLMTHDP-QUCCMNQESA-N	424.545	3.961	10	20	HHCD	
COc1ccc(CCC(=O)N2CCCN(Cc3cc(Cl)c(F)cc3O)CC2)cc1	816499062	DBBLPRURDIQDSO-UHFFFAOYSA-N	420.912	3.860	10	20	HHCD	
Cc1ccnc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1	818440134	UFHYTVHBJNQOHK-LFIBNONCSA-N	417.581	3.749	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NC(=O)Nc2ccccc2F)c(C)n1-c1ccccn1	914903361	LGXXRDQYKVITAB-OAHLLOKOSA-N	424.432	3.522	10	20	HHCD	
COc1ccc2c(COC(=O)c3cc(C)n(-c4ccccn4)c3C)cc(=O)oc2c1	914903679	ROFQONPSGCCTHG-UHFFFAOYSA-N	404.422	3.961	10	20	HHCD	
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)cc1	916041168	RUCBHIMYWDGFCH-UHFFFAOYSA-N	422.550	3.965	10	20	HHCD	
CC(C)Cc1nnc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	916668719	IUWIVWQVWHSUBI-ZIAGYGMSSA-N	421.542	3.811	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(OC(F)F)c(F)c1	916691316	VFKVCXCECXQNDP-UHFFFAOYSA-N	423.435	3.958	10	20	HHCD	
O=C(C1=NN(c2ccccc2)C(=O)CC1)N(Cc1ccco1)Cc1ccccc1O	917361294	BOFFIICBXNQVSY-UHFFFAOYSA-N	403.438	3.697	10	20	HHCD	
Cc1nc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2c3c(sc2n1)CCC3	917391492	WHMHYSBJVJDDBK-MRXNPFEDSA-N	421.570	3.802	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(COc2ccccc2)c1	918305170	GLDBMOMQJUPOPC-UHFFFAOYSA-N	417.509	3.929	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-n2nc(C)cc2C)c1	918306590	BBIFCPDFBDNKCJ-UHFFFAOYSA-N	419.529	3.542	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	918624719	DPEQEPUGBJVKGJ-UHFFFAOYSA-N	420.962	3.809	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1nc(C(C)(C)C)cs1	1251686754	JAQDLRMDSGVCNB-CQSZACIVSA-N	420.554	3.977	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(CC3CCOCC3)CC2)c1	1318596776	LIGRHGDAELMHOS-UHFFFAOYSA-N	415.965	3.932	10	20	HHCD	
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	1325052889	KPERPSSHRIACKA-QGZVFWFLSA-N	423.492	3.935	10	20	HHCD	
COc1ccccc1O[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1327419174	QQYFEFXSUSEYHM-HXUWFJFHSA-N	413.537	3.630	10	20	HHCD	
CN(c1ccc(CNC(=O)CNC(=O)c2cc(F)cc(F)c2)cc1)C1CCCCC1	60162097	VWHUCIHNRRNDPA-UHFFFAOYSA-N	415.484	3.780	10	20	HHCD	
C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	65277676	PHVRLHJYFRUZLG-AWEZNQCLSA-N	414.449	3.582	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O	208024792	VATGVCBYCVCUBS-LFIBNONCSA-N	401.513	3.555	10	20	HHCD	
CCOCCN1CCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1	303324530	VOEABPLZSDBGOH-UHFFFAOYSA-N	421.944	3.723	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1F	303745552	AKGYREMKGNPXSJ-IBGZPJMESA-N	407.436	3.891	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H](c2ccc(F)cc2)c2cnn(C)c2)n(C)c2ccccc12	472172627	MAJCXFKRWYXRRJ-QFIPXVFZSA-N	405.477	3.948	10	20	HHCD	
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)NCc3c(C)c4ccccc4n3C)C2)n1	472231409	JJFVDYXXKWQUHR-SFHVURJKSA-N	419.529	3.750	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F	475935451	URRWBNYNCYCMQQ-UHFFFAOYSA-N	416.403	3.996	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	542019129	ODNKFTNMRTTXER-UHFFFAOYSA-N	414.893	3.729	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)cc1	726560576	FOAFKIVODSYQPV-UHFFFAOYSA-N	412.490	3.581	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(N4CCC(C)CC4)nc3)CC2)cc1	727104916	PLOUNMDSPYDPBG-UHFFFAOYSA-N	408.546	3.679	10	20	HHCD	
CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1F	727654062	HBYLEZYVZJIYLI-CXUHLZMHSA-N	402.472	3.996	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1	729305973	UDIKHAJKEJLMTA-LJQANCHMSA-N	417.962	3.580	10	20	HHCD	
CC[C@H](CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C(C)C	729333350	WZTPRRWJFYQZRZ-LJQANCHMSA-N	413.541	3.631	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1F	731408286	ITURMVSSLKAJGA-UHFFFAOYSA-N	407.873	3.589	10	20	HHCD	
Oc1ccccc1CN(Cc1cn2cc(Br)ccc2n1)C[C@@H]1CCCO1	731844700	MNJQLLLCFMGEBW-SFHVURJKSA-N	416.319	3.984	10	20	HHCD	
CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccc2)s1	731901941	HUFYRBFPOBELFC-UHFFFAOYSA-N	423.947	3.672	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1	734701860	LTVMFSSGTNVXLC-UHFFFAOYSA-N	415.493	3.547	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(-c2ccncc2)ccc1C	734702606	APGJTZUUNXJVSX-UHFFFAOYSA-N	402.498	3.686	10	20	HHCD	
CC[C@@H]1CCCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	735310725	CTCVVYLSNSZPQZ-GUDVDZBRSA-N	405.558	3.568	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F	737135137	UEDVPBXCGOAYCL-UHFFFAOYSA-N	414.861	4.000	10	20	HHCD	
CCc1cccc(CC)c1S(=O)(=O)Nc1nc(-c2c[nH]c(C(=O)OC)c2)cs1	737381377	LUIBBSIDLDTLFN-UHFFFAOYSA-N	419.528	3.850	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl	740908914	DJHORKZDOKPYMV-QFBILLFUSA-N	403.885	3.671	10	20	HHCD	
CC(C)c1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n[nH]1	742748927	ATJWKVOQQDVJHG-LJQANCHMSA-N	415.538	3.595	10	20	HHCD	
CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805293	IQZRNIOFIFBEEF-LPHOPBHVSA-N	423.504	3.554	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F	742806936	VFWBPZPSECVLKL-GFCCVEGCSA-N	409.364	3.734	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1	746420565	GCPQUJCICVGPNV-XMMPIXPASA-N	404.558	3.869	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)c2cnn(C)c2)sc(C)c1-c1ccccc1	746465623	ZAEAICAZNGKPFF-UHFFFAOYSA-N	412.515	3.709	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)NCC2(c3ccccc3)CCOCC2)cc1	746651849	XFLRXZOVPIDQRQ-UHFFFAOYSA-N	423.601	3.829	10	20	HHCD	
CCCCc1ccc(-c2csc(NS(=O)(=O)c3cnn(CCOC)c3)n2)cc1	747750293	PANZWNWJUVVZDD-UHFFFAOYSA-N	420.560	3.796	10	20	HHCD	
Cc1cc(CC(=O)N(C)Cc2nnc3ccccn23)c(C)n1-c1ccc(Cl)cc1	749386833	MTFITWGLJQXRCE-UHFFFAOYSA-N	407.905	3.991	10	20	HHCD	
COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1OCc1cn2ccccc2n1	751533746	CDHHHKZXVRXCSI-UHFFFAOYSA-N	419.437	3.894	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c1	755836570	JENMXQKDGMVAFS-CQSZACIVSA-N	411.433	3.633	10	20	HHCD	
C[C@@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)c(F)cc1O	756459954	QKEBTASFVDWXNG-YPMHNXCESA-N	400.263	3.935	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)c1	756570438	BUSSGSFFWCNAGT-INIZCTEOSA-N	406.486	3.968	10	20	HHCD	
CN(C(=O)c1ccccc1NC(=O)NCCc1ccc(O)c(O)c1)C1CCCCC1	761627673	GPMIZWGDHQYTNE-UHFFFAOYSA-N	411.502	3.867	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](O)c1ccccc1Cl	765108524	OWBCRNIRQKAFMO-FZKQIMNGSA-N	410.848	3.760	10	20	HHCD	
Cc1cccc([C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccn2)c1	765664342	FTQPKNSJGRXXGP-DEOSSOPVSA-N	416.525	3.815	10	20	HHCD	
O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1cccc(Br)c1O	765725922	ABKCEMFDHIXISS-UHFFFAOYSA-N	402.288	3.923	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1	765868613	QRSDDDLZTNMDMX-AUSIDOKSSA-N	408.590	3.691	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c(C)oc2ccccc12	768390529	ZCGHESXIGYYFAG-UHFFFAOYSA-N	401.846	3.845	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(OC)c4ncccc34)CC2)cc1	768972299	RKCJDXYLFBACRG-UHFFFAOYSA-N	406.486	3.996	10	20	HHCD	
COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-]	773994579	OJRDCUVVJCYFSP-AWEZNQCLSA-N	403.504	3.780	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cccc2ccccc12	775046692	YKICHWFPZMFBAB-QGZVFWFLSA-N	401.510	3.716	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc2NC1=O	776155405	DIFHTVDGSFBVST-AVYPCKFXSA-N	410.518	3.984	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn1-c1ccc(Cl)cc1	778229378	YYIJTQMLCUXZNI-UHFFFAOYSA-N	424.932	3.943	10	20	HHCD	
O=C(N(Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)c1ccc([N+](=O)[O-])cc1	778392064	IXBLCBZAFYKRHX-KRWDZBQOSA-N	406.385	3.600	10	20	HHCD	
CCOc1cccc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1O	779191310	OYYRBGDZEPAVMR-INIZCTEOSA-N	404.532	3.524	10	20	HHCD	
COc1ccc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1	780545615	RTVVTLAKSNUBRS-LJQANCHMSA-N	400.523	3.512	10	20	HHCD	
CN1CCC(C)(CNCc2cc(Br)cc(Br)c2O)CC1	780781774	LUJLKFFFUQVLFD-UHFFFAOYSA-N	406.162	3.739	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1	784026626	WMXRPTAXZIDGJV-UHFFFAOYSA-N	414.502	3.910	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C2CCCCC2)cc1	784060905	KNBWGSYLCALAAN-UHFFFAOYSA-N	403.486	3.759	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1	785295106	RJTGFWQKSXDCMN-AWEZNQCLSA-N	424.428	3.715	10	20	HHCD	
C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	785900986	UPKZLRYGHVVBGJ-SFHVURJKSA-N	424.541	3.897	10	20	HHCD	
COc1cccc2c(NCc3ccc(N4CCN(C(C)=O)CC4)cc3)c(C)cnc12	786803413	MIFVOPUHBIJCOM-UHFFFAOYSA-N	404.514	3.832	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2cc(C)sc2C)cc1F	787851386	ZFJUPWLAXFZAJV-AWEZNQCLSA-N	405.539	3.844	10	20	HHCD	
Cc1cc(CN[C@@H](C)c2cc(Br)cc(Br)c2O)n(C)n1	793563231	ZLYSOVTWWOKQMJ-VIFPVBQESA-N	403.118	3.810	10	20	HHCD	
COc1ccc(CNc2ncc(Cl)c(NCc3ccc(OC)cc3O)n2)c(O)c1	795283657	GCVZTTCSPZUMHZ-UHFFFAOYSA-N	416.865	3.783	10	20	HHCD	
O=C(N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1cc(O)cs1	796250714	JCVQPPXJBOCLRJ-NSHDSACASA-N	410.211	3.698	10	20	HHCD	
O=C(NC1CCN(c2nccs2)CC1)N(Cc1ccco1)Cc1ccccc1O	798508914	VGXKRMGHDHDSKB-UHFFFAOYSA-N	412.515	3.823	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](C4OCCO4)C3)cc2Cl)C1	800719590	LPFKFIILAUECGZ-SJLPKXTDSA-N	421.969	3.871	10	20	HHCD	
CC(C)c1nnc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cn12	801743058	IBEBQQIMFSNXND-GOSISDBHSA-N	409.490	3.771	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H](CCC(C)C)C(C)(C)C)CC2)cc1	804315745	QQSYPHPOWFYCER-OAQYLSRUSA-N	417.594	3.747	10	20	HHCD	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)NCCCSc2nccs2)cc1	806275929	ZSUUOOJJBGNXPA-ZWKOTPCHSA-N	417.600	3.845	10	20	HHCD	
COc1cccc([C@@H]2C[C@H](C)CN2C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	807677042	KXVUVSXQQHVXTI-HOIFWPIMSA-N	409.530	3.548	10	20	HHCD	
CC[C@@H](NC1CCN(S(=O)(=O)CC(C)C)CC1)c1ccc(C(F)(F)F)cc1O	810233857	QWMKUDFPKLWEFD-QGZVFWFLSA-N	422.513	3.902	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nc2cc(Cl)ccn2n1	810247836	QTWFZVIKVFTALH-UHFFFAOYSA-N	424.686	3.905	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCOC[C@H]2CCCO2)c(C)n1-c1cccc(F)c1	915542200	IMTAYDWXMDITRH-LJQANCHMSA-N	403.450	3.545	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnn(C)c2C(F)(F)F)c(C)n1-c1ccccc1	915575539	NSTGVAKAUCXOOI-UHFFFAOYSA-N	405.376	3.886	10	20	HHCD	
COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCOCC4)cc3)s2)cc1	919767010	INQGCOYHOLKICP-UHFFFAOYSA-N	423.538	3.894	10	20	HHCD	
Cc1cccc(-c2nc(CC(=O)NCc3ccc(N4CCOCC4)cc3)cs2)c1	919767164	MOVYSHSZYTURSQ-UHFFFAOYSA-N	407.539	3.814	10	20	HHCD	
COCCN1CCC(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	920775481	SMTFBJJJMMAOGR-UHFFFAOYSA-N	403.954	3.517	10	20	HHCD	
COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(C)ccc3OC)n2)c1	921206135	UGJIXXVHXLEBKW-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1	1318465439	OXDALCATZQKTGB-INIZCTEOSA-N	413.827	3.641	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3coc(-c4ccccc4)n3)CC2)cc1	1325738300	JFCSHAGMEKKMEV-UHFFFAOYSA-N	420.513	3.861	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)Cc2ncnn2CC(F)F)c1	1326618838	DEQRTHFUVOEFPU-UHFFFAOYSA-N	407.852	3.876	10	20	HHCD	
CCN1CCC(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)CC1	11647640	UGJAEVVKLOACFQ-UHFFFAOYSA-N	424.570	3.884	10	20	HHCD	
COc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1OC(F)F	65560922	REEPEZKJNPXKAS-AWEZNQCLSA-N	406.429	3.624	10	20	HHCD	
O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1cccc(N2CCCC2=O)c1	247736045	KXNCTVBGXVOJHO-UHFFFAOYSA-N	402.426	3.699	10	20	HHCD	
C[C@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)c1ccc(N2CCOCC2)cc1	301127546	RGFYVHSXOQXKSU-INIZCTEOSA-N	418.476	3.940	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)cc1F	303285937	ACMROCALTGTUGQ-UHFFFAOYSA-N	413.541	3.531	10	20	HHCD	
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOc2cc(N(C)C)ccc21	437011128	UOJSHKAOVOLCPU-GFCCVEGCSA-N	405.838	3.507	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)n(C)c2ccccc12	439985104	DXAKMROKPTYIAH-UHFFFAOYSA-N	411.893	3.991	10	20	HHCD	
Cc1c(CNC(=O)NCc2ccc(OCCCN(C)C)cc2)n(C)c2ccccc12	471817569	UYQVWJROOGBRTP-UHFFFAOYSA-N	408.546	3.817	10	20	HHCD	
O=[N+]([O-])c1cnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(Br)c1	485207008	OASRIIYFJQPCTQ-UHFFFAOYSA-N	400.236	3.922	10	20	HHCD	
CCCN(C(=O)c1ccccc1NS(=O)(=O)c1cccc2nsnc12)C(C)C	532768775	ZQJSUCBZHZXORI-UHFFFAOYSA-N	418.544	3.753	10	20	HHCD	
CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	729546472	MIBVDPKOJHNBSB-UHFFFAOYSA-N	401.492	3.601	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC)ccc2Cl)cc1	731459538	IMDOERQXESXXCA-UHFFFAOYSA-N	408.951	3.910	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(Br)ccc3F)CC2)cc1	732436144	ZGFDZMDECBTLMN-UHFFFAOYSA-N	408.271	3.951	10	20	HHCD	
CC(C)[C@H](C(=O)NCCCSc1nccs1)S(=O)(=O)C1CCCCC1	733974906	PIRSSBCHCYOLPZ-OAHLLOKOSA-N	404.623	3.514	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3c(C)nc(C4CC4)nc3SC)CC2)cc1	742246740	YLCWIMAJCJFMJG-UHFFFAOYSA-N	412.559	3.745	10	20	HHCD	
CCc1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1	742751940	YDLHYWYRVZYOMB-MRXNPFEDSA-N	418.563	3.767	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NC(=S)NCCc3ccccc3)C2)cc1	743016617	YGDYKJZHCOBJEI-KRWDZBQOSA-N	405.514	3.964	10	20	HHCD	
CCO[C@H](C)c1nc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cs1	743051812	RKWVDHRTODWKHW-CQSZACIVSA-N	405.545	3.963	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(C)n(-c2ccccc2)n1	743809060	MDUNYEHAXXWEQT-UHFFFAOYSA-N	415.291	3.706	10	20	HHCD	
O=C(Nc1c(F)cc(F)cc1F)C(=O)N(Cc1ccco1)Cc1ccccc1O	743886950	CLJWOYBPXPUEBR-UHFFFAOYSA-N	404.344	3.570	10	20	HHCD	
CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(Br)ccc1O	744427077	XTVBYUGGADCYAT-UHFFFAOYSA-N	408.252	3.524	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@@H]1c1ccco1	745904740	SVCGSBUOSYJVPM-CRAIPNDOSA-N	421.444	3.633	10	20	HHCD	
CCNC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	746191618	JUWYULGDEBBWKH-UHFFFAOYSA-N	420.351	3.749	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)ccc21	746813088	QJGXUMDEBSAPSF-UHFFFAOYSA-N	415.419	3.599	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC(O[C@H]3CCOC3)CC2)cc1)C1CCCCC1	748624853	PLLSHFLXNKFKFT-QHCPKHFHSA-N	415.578	3.935	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H](OCC)C1(C)C	748625230	LLJUZEYBIUTPMR-SFTDATJTSA-N	403.567	3.648	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)ccc1C	751361235	REBCXBULNPYSNT-UHFFFAOYSA-N	403.500	3.621	10	20	HHCD	
CCc1ccc(CN(C)C(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1	751932315	YULLTKXOMLOQBN-UHFFFAOYSA-N	423.538	3.694	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccccc3Br)CC2)cc1F	753862342	PHCJVQYJSLBSPQ-UHFFFAOYSA-N	408.271	3.951	10	20	HHCD	
C[C@H](NC(=O)c1cc(N(C)C)nc2ccccc12)c1ccc(N2CCOCC2)cc1	754170267	OVTKFFLOBNNDEO-KRWDZBQOSA-N	404.514	3.628	10	20	HHCD	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	754550886	GXRUSGGZCKHMQF-HOTGVXAUSA-N	418.493	3.685	10	20	HHCD	
Cc1nc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1-c1ccccc1	754551927	MUUFUECSOCBNNR-UHFFFAOYSA-N	408.417	3.603	10	20	HHCD	
C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1	755249518	RLCAIHLQYQXNPO-QGZVFWFLSA-N	418.534	3.542	10	20	HHCD	
CC[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H]1CCCO1	756105613	SVANIVJPBYPHEO-HTVWXKGZSA-N	424.613	3.803	10	20	HHCD	
O=C(O)[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(Cl)cc(Cl)c1O	756379879	PEIXOJSUKYSBKW-MRXNPFEDSA-N	424.240	3.874	10	20	HHCD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H](C)c3cc(F)cc(F)c3O)cc2)C1	756432300	PLISRUWTUPTVIN-LSDHHAIUSA-N	424.513	3.942	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1	756681188	JMAVXNXDXIRNHJ-PKTZIBPZSA-N	411.546	3.567	10	20	HHCD	
CN(CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)C(=O)OCc1ccccc1	756722879	MOIFADJZQLZMSU-UHFFFAOYSA-N	415.453	3.603	10	20	HHCD	
COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cc(Br)cc(F)c2O)C1=O	756741092	BTMFEWRQQAJVPE-XHDPSFHLSA-N	423.282	3.759	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cncc(Cl)n3)c2C)cc1	758634984	NVPIJMTTXXGQDL-UHFFFAOYSA-N	413.861	3.976	10	20	HHCD	
CNC(=O)[C@@H](NC(=O)CNc1cc2oc3ccccc3c2cc1OC)c1ccccc1	762784746	XVEZVMRSIASSNA-QHCPKHFHSA-N	417.465	3.610	10	20	HHCD	
Cc1coc(-c2cc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)ccc2C)n1	764254958	VHOJCWNMXFOLMC-UHFFFAOYSA-N	418.497	3.596	10	20	HHCD	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1Br	767880441	ZQCCVPLZDOAXPI-WQLSENKSSA-N	400.319	3.824	10	20	HHCD	
CN(Cc1ccccc1)C(=O)N1CCN(Cc2cccc(Br)c2O)CC1	768906852	QPFKGDWOSYEOGS-UHFFFAOYSA-N	418.335	3.524	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCOc2ccccc21	768915958	OIZZTWCFTJNGMA-MJGOQNOKSA-N	400.906	3.693	10	20	HHCD	
O=C(N[C@H]1CCOC2(CCCCC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	769172650	JVEKRPNESAJZJO-PMACEKPBSA-N	402.535	3.965	10	20	HHCD	
COc1cccc(O)c1CN1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1	769315215	HWFUIFRZRZBCLF-UHFFFAOYSA-N	413.518	3.981	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(-c4ccc5c(c4)CCO5)no3)CC2)cc1	771294617	SZXRIYKYTLTEAI-UHFFFAOYSA-N	419.481	3.638	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3cn(C)c4ccccc34)cc2F)CC1	772039012	ZOMVTQUCPSKLOL-GOSISDBHSA-N	422.548	3.879	10	20	HHCD	
C[C@@H](CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)N1CCN(C)CC1	772695941	DMPPZBHZFSQMJD-SFHVURJKSA-N	408.550	3.534	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(F)cc1OCC(F)F	774077416	NCQGBSXGJQFYRH-UHFFFAOYSA-N	409.408	3.628	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)c1	775768319	OLYADXPJXSCPCP-CQSZACIVSA-N	400.475	3.917	10	20	HHCD	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cccc(O)c1O)CC2	776613029	KDNCWHAASSONSN-QFIPXVFZSA-N	405.450	3.903	10	20	HHCD	
CCN1CCN(c2ccc(N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)cc2)CC1	776807221	XEXHRJJWXVEHTG-LJQANCHMSA-N	412.553	3.977	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1-c1ccc(F)cc1	776852884	PYSMTOCTNCJEAX-QGZVFWFLSA-N	408.477	3.647	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(OCC(F)F)ccn1	778327461	ZYWRMFQRESMOJG-UHFFFAOYSA-N	415.234	3.856	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)C2CC2)cc1	780324516	FVOVULRWCOHKPA-HYBUGGRVSA-N	413.562	3.891	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(Br)c3C)c2)CC1	781047019	MTZOVDWZORVSIT-UHFFFAOYSA-N	416.319	3.678	10	20	HHCD	
COC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1	788731804	JTBNRASCPDXPCJ-JOCHJYFZSA-N	413.587	3.639	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccccc1)Cc1ccco1	788911786	RASXHDUOVMJPNT-UHFFFAOYSA-N	417.509	3.725	10	20	HHCD	
C[C@@H]1OCC[C@@]12CN(C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)C[C@@H](C)O2	790503762	BPSNTZYNKDDONJ-YDIMBITNSA-N	415.578	3.933	10	20	HHCD	
CC(=O)NCCN(Cc1cc2c(cc1O)OCO2)Cc1ccc(Cl)cc1Cl	799946317	ZDMOFPMIMMFWPE-UHFFFAOYSA-N	411.285	3.566	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1	802353896	ZGOQDYISZMDCJI-LJQANCHMSA-N	411.502	3.824	10	20	HHCD	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	803663966	CIRIMUCBYFVWHR-AWEZNQCLSA-N	420.554	3.616	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1	804687169	LPWXUDTYGUYXTQ-QFIPXVFZSA-N	423.944	3.990	10	20	HHCD	
CC[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1cc(Cl)cc(Cl)c1O	806133324	LEHJLYCSPNPQFD-AEFFLSMTSA-N	405.391	3.948	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@H]1CCc2ccccc2C1	807119209	OQAYDROIMWPWEF-NRFANRHFSA-N	419.569	3.557	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccccc1)CC1CCC1	807290124	QBPAWKRLNGBNBA-UHFFFAOYSA-N	403.526	3.508	10	20	HHCD	
O=C(c1ccccn1)N1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1	809547495	RAKRAJQSGKMGFO-UHFFFAOYSA-N	412.537	3.602	10	20	HHCD	
CC(C)(C(=O)NCCc1ccc(O)c(O)c1)c1csc(-c2ccccc2F)n1	815834070	RKULWHPYQJDLRG-UHFFFAOYSA-N	400.475	3.997	10	20	HHCD	
Cc1cc(CCNC(=O)NCCc2cn3ccccc3n2)c(C)n1-c1ccccc1	914543330	QXJUYYMUIVLTDY-UHFFFAOYSA-N	401.514	3.826	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCC(=O)N(C)Cc1ccc(N(C)C)cc1	916120626	CKWYXPFRWJBUDT-UHFFFAOYSA-N	424.589	3.606	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc1	916509412	NZVVWXATVRSWMT-XMMPIXPASA-N	424.589	3.748	10	20	HHCD	
COC(=O)c1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	916681490	HVWBIIJTKDOKQQ-GJZGRUSLSA-N	415.465	3.548	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(Cn4ccnc4)c3)cc2F)C[C@H](C)O1	917710666	CNGYRFIZGFBUNW-ROUUACIJSA-N	422.504	3.614	10	20	HHCD	
COC(=O)CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1	917840453	GXXXDCUFWGIXCX-UHFFFAOYSA-N	418.496	3.553	10	20	HHCD	
O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc21	917846249	NIMHOHGYYNJECQ-UHFFFAOYSA-N	408.407	3.560	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)c1	917917138	CUORNEDAZIBJEU-IAGOWNOFSA-N	406.523	3.535	10	20	HHCD	
COc1cccc(CN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	918219981	FNYWOORMEZSYOV-IAGOWNOFSA-N	415.509	3.790	10	20	HHCD	
CN(C)C(=O)C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1	920183437	NUJDMQQHAFYFCP-FQEVSTJZSA-N	410.518	3.894	10	20	HHCD	
CCN1C(=O)/C(=C/c2cc(Br)c3c(c2)OCCCO3)SC1=S	921260621	CGTFMPZMDMOEOU-WQLSENKSSA-N	400.319	3.832	10	20	HHCD	
CN(Cc1ccc(N2CCCC2)cc1)[C@@H](C(N)=O)c1cccc(Br)c1	1338075185	PLVXQATXGOXLNX-LJQANCHMSA-N	402.336	3.708	10	20	HHCD	
CCOC(=O)/C(=C\c1ccc(N2CCN(C)CC2)c(F)c1)c1ccncc1Cl	1347422147	JXMFTJIFETVNKN-ATVHPVEESA-N	403.885	3.730	10	20	HHCD	
C[C@H](OC(=O)c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	7533820	XNJFMXYCWLAVDX-LBPRGKRZSA-N	405.431	3.708	10	20	HHCD	
O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	11228420	UPTOSCSDGPHGDA-UHFFFAOYSA-N	424.412	3.739	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2cnn(-c3ccccc3)c2)cc1	105551179	PLXGOKGONSERHB-XMMPIXPASA-N	418.541	3.689	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccc(Cl)cc2)C2CC2)n(C)c2ccccc12	570997439	NXGMLZXJXZRLLD-UHFFFAOYSA-N	409.917	3.948	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C	683954618	ZZZYZFWJAIGIHA-UHFFFAOYSA-N	413.428	3.862	10	20	HHCD	
CCc1ccc([C@@H](CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)N(C)C)cc1	726702928	OIOYLSXVYCTLSQ-XMMPIXPASA-N	424.589	3.829	10	20	HHCD	
Cc1[nH]c2ccccc2c1CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	726983913	WPKFWZOBPAGHLI-UHFFFAOYSA-N	424.520	3.618	10	20	HHCD	
COc1cc(Br)c(CNC(=O)N(C)Cc2ccccc2O)cc1OC	727229123	VUPFFRFIGUQRDB-UHFFFAOYSA-N	409.280	3.514	10	20	HHCD	
COCCn1c(C)cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1C	727863568	FNOVGVARPMAOIN-LDADJPATSA-N	401.557	3.590	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)ccc21	728637498	MPZMSUDGAAFBKE-UHFFFAOYSA-N	422.481	3.903	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCOc2ccc(C=O)cc2)cc1	731621433	HHALOMZELNOGGF-HSZRJFAPSA-N	410.514	3.542	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1	732476332	FNSSTBFJTAYJJI-OAHLLOKOSA-N	404.308	3.575	10	20	HHCD	
CCc1nc(COc2ccc(C(=O)NCc3ccc(N(CC)CC)cc3)cc2)no1	734319696	LBAJTDTUMYRPOO-UHFFFAOYSA-N	408.502	3.987	10	20	HHCD	
COC1CCC(N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	734666748	JNFAAOICJAGKGI-UHFFFAOYSA-N	411.493	3.856	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C\c2occc2Br)SC1=S	735305154	RDHPYVNZXCLZJI-DHZHZOJOSA-N	404.307	3.888	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3ccccc3OC(F)F)cc2F)C[C@@H](C)O1	735633276	POXYZMIMRKBXET-GASCZTMLSA-N	422.447	3.900	10	20	HHCD	
CCN(CC)CCOc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1	735744928	CXVNHNQFNKLBJH-UHFFFAOYSA-N	402.514	3.934	10	20	HHCD	
Cc1cc(C(=O)CSCC(=O)OC(C)C)c(C)n1-c1ccc2c(c1)OCCO2	741476884	VMLPYWYRKQBWSK-UHFFFAOYSA-N	403.500	3.733	10	20	HHCD	
CN(C)c1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1F	742379644	ZCKOCLYNYVPTSE-SFHVURJKSA-N	407.436	3.778	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2n[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1	742751403	UGTGOZMLDHKSFS-IBGZPJMESA-N	423.517	3.625	10	20	HHCD	
CCOc1ccccc1OCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806212	QLRXADFJWWFORS-INIZCTEOSA-N	420.456	3.851	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cnc2c(cnn2Cc2ccccc2)c1	743718610	HQIVHJYYNMWPDE-UHFFFAOYSA-N	412.493	3.994	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCc1ccccc1F	743870918	HJZBFKRCOWRJNJ-CYBMUJFWSA-N	409.299	3.821	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C12CCC2	745649865	ZSNNBLOXYVIXEI-VAKZPMALSA-N	419.541	3.586	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(OC)cc1OC	745672780	QOIAPKQJGUWZFC-UHFFFAOYSA-N	423.307	3.904	10	20	HHCD	
Cc1cc(C(=O)NCC(=O)NC2CCCC2)c(C)n1-c1ccccc1Br	746845411	NCZYDUPSPHSOPK-UHFFFAOYSA-N	418.335	3.645	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cc1	747776448	OPQDOAVHUGUYIH-UHFFFAOYSA-N	402.563	3.608	10	20	HHCD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	752151081	FPXHAEVVBKXOFS-LJQANCHMSA-N	408.502	3.848	10	20	HHCD	
CC(C)(CCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	753950193	NOIMRDAZWSZWES-FQEVSTJZSA-N	407.558	3.763	10	20	HHCD	
CN(Cc1ncc(Br)cc1Br)c1ccc2c(c1)OCO2	753961738	MBDDRQGUBYRIDS-UHFFFAOYSA-N	400.070	3.972	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1	755268289	GXDNHDJHAFMUFP-GOTSBHOMSA-N	413.537	3.702	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1	756116781	OYMOIOHFQLGBSL-UHFFFAOYSA-N	422.464	3.771	10	20	HHCD	
C[C@H](CNC(=O)NCCCSc1nccs1)c1nc(-c2ccccc2)no1	760841969	TXTOZKAICWFMHE-CYBMUJFWSA-N	403.533	3.778	10	20	HHCD	
CC(C)(C)c1csc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1	761251259	QCMWXSFVGOVZJF-UHFFFAOYSA-N	407.923	3.807	10	20	HHCD	
CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	764796736	LQXZNBDKFSPCNG-SFHVURJKSA-N	413.537	3.995	10	20	HHCD	
CS(=O)(=O)C[C@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccccc1	765654813	AWXJFVDETGNNND-QFIPXVFZSA-N	411.523	3.847	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(Br)c(F)c1	765729543	OFOLXPGZAUKDNF-UHFFFAOYSA-N	403.045	3.986	10	20	HHCD	
Cc1cc(CC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1	766507374	VKUAMAROTUQBHB-OAQYLSRUSA-N	413.880	3.772	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(N2CCOCC2)cc1)C1CCCC1	767741262	OBYYMNDAWTWNQW-OAQYLSRUSA-N	403.567	3.696	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	769397031	STEQLNBARYWPQU-HZPDHXFCSA-N	411.493	3.856	10	20	HHCD	
Oc1ccccc1CN1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1	770508774	HJNGDZHJYIBTMH-UHFFFAOYSA-N	418.419	3.779	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)NCc3ccc4c(c3)CCCN4C)c2)CC1	771273787	SSGKOESHRJDZHL-UHFFFAOYSA-N	407.562	3.533	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1	775220434	OTBCWLBOGLEQSY-OAQYLSRUSA-N	409.917	3.600	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2noc(Cc3ccc(Br)cc3)n2)c1	775372452	BLJFGPLYHQVBDT-LBPRGKRZSA-N	418.291	3.988	10	20	HHCD	
Cc1noc(C)c1CN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1c(C)noc1C	775713345	ILNKGAPBTBWBJC-UHFFFAOYSA-N	423.561	3.850	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(N(C)C)cc1	775830226	FNBARPSMBREHFU-KRWDZBQOSA-N	420.513	3.565	10	20	HHCD	
CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nc(-c2ccccc2C)cs1	778661203	JPTGGVPXVZDTHQ-UHFFFAOYSA-N	406.485	3.861	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	780620288	GBMZRTWEBMMMDN-MRXNPFEDSA-N	404.555	3.902	10	20	HHCD	
CCOC(C)(C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	781765420	GEJRKJMNDDRVNU-KAMYIIQDSA-N	412.602	3.661	10	20	HHCD	
CCN(CC)Cc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	783317234	OSDMLGLYIHGPIO-UHFFFAOYSA-N	424.589	3.970	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1OC	784059923	SZVRIBRKGDMZHC-UHFFFAOYSA-N	411.502	3.981	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1Sc1ccccc1	785295061	QFACWXCPLMWHOW-OAHLLOKOSA-N	422.506	3.935	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCC1(c2ccccc2)CCCC1	785689173	KUHGNIXGINBJFK-UHFFFAOYSA-N	405.542	3.531	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCN(C4CCOCC4)C[C@H]3C)c2C)c1	785980127	CKOVNXFNOXUNIC-HXUWFJFHSA-N	409.574	3.770	10	20	HHCD	
Cc1ccc(F)cc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	786762483	WSVIHSUQSBEHTP-IYBDPMFKSA-N	404.457	3.582	10	20	HHCD	
COc1cc(N2CCN(CCOc3ccc(Cl)c(F)c3)CC2)cc(OC)c1OC	792285524	AHHGZLDJQHRADR-UHFFFAOYSA-N	424.900	3.706	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNS(=O)(=O)CC[C@@H]3CCCO3)cc2Cl)C1	800149174	WHLIDJFYQFNBDC-RDJZCZTQSA-N	400.972	3.565	10	20	HHCD	
Cc1ncccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800636987	RWUYMUHQRFNXKJ-AWEZNQCLSA-N	400.910	3.535	10	20	HHCD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	801177281	MZIJTRGZHJQVBH-FQEVSTJZSA-N	409.461	3.847	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@@H](OC)C1	802440596	UFMYPUGHEKAATI-JTSKRJEESA-N	423.561	3.860	10	20	HHCD	
CC(C)SCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	805225797	NKNJRTCIFAVSJZ-SDNWHVSQSA-N	414.643	3.987	10	20	HHCD	
COc1ccc(CN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)C2CC2)cc1	807670924	JESYBCNMHQTPBT-QZTJIDSGSA-N	423.557	3.766	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c1	811823586	VVZRGQMSXWILEL-UHFFFAOYSA-N	422.915	3.980	10	20	HHCD	
CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1	812397057	IMJURCDSTZNMHK-QGZVFWFLSA-N	400.475	3.874	10	20	HHCD	
O=S(=O)(NCc1cccc(Br)c1O)c1ccc(C(F)(F)F)s1	812508642	FEEVWZYMMCWUSZ-UHFFFAOYSA-N	416.240	3.714	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H]3OCCc4sccc43)CC2)cc1	813622894	UNUWHYRPBGZYJE-YCRPNKLZSA-N	415.559	3.727	10	20	HHCD	
O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2	814289347	NDSUIHNCGHOZPO-FOSMRKBVSA-N	400.569	3.913	10	20	HHCD	
O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1c1ccc(F)cc1	824017914	YZQUQRRWMRGRES-PXNMLYILSA-N	400.435	3.951	10	20	HHCD	
COC(=O)[C@H]1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)c2ccccc2O1	913268299	ZHUQQMQSLCDIPT-JOCHJYFZSA-N	404.466	3.983	10	20	HHCD	
COc1ccccc1[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1nccn1C	914849696	RAULPJGNEJDUBZ-QFIPXVFZSA-N	415.497	3.751	10	20	HHCD	
CC(C)CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1	917057712	KLNKFWRKUZTKMK-QZTJIDSGSA-N	405.558	3.566	10	20	HHCD	
Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)c1	918123380	VPZWPKBKSGCMEJ-TZIWHRDSSA-N	422.573	3.908	10	20	HHCD	
CCN(Cc1ccncc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	918222277	UYPFGUHRYAKDKO-IRXDYDNUSA-N	400.498	3.566	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3COC4=O)n2)cc1C	918739477	CHELRMWXZMBHIZ-UHFFFAOYSA-N	400.481	3.898	10	20	HHCD	
COCCCN(CCOC)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12	921053890	CEHZFMBHKANQJP-UHFFFAOYSA-N	411.498	3.959	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2cc(OCC(F)F)ccn2)C2CC2)cc1	1320160259	LPFVEIYCOHDUSW-UHFFFAOYSA-N	404.461	3.666	10	20	HHCD	
CCOc1ccc2c(c1)CN(C(=O)NC1CCN(c3ccc(OC)cc3)CC1)CC2	1325757919	MIDXEBDMUSITLA-UHFFFAOYSA-N	409.530	3.831	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@@H]2F)cc1	1793913088	OJRZYDIIEKBZLP-BLCKVISQSA-N	409.505	3.704	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	107921518	RKWXHQPQSNTISR-UHFFFAOYSA-N	410.468	3.977	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](CNC(=O)C(C)C)C3)ccc21	486555484	NKEPZGOPGMWXFL-IBGZPJMESA-N	413.562	3.529	10	20	HHCD	
O=S(=O)(Nc1ccc(OC(F)F)c2cccnc12)c1cccc2nsnc12	548150762	HSLNPGMBDPKXLY-UHFFFAOYSA-N	408.411	3.642	10	20	HHCD	
O=C(CN(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2)NCc1ccccn1	727831464	CTADGTIELMBJGJ-TWGQIWQCSA-N	415.493	3.689	10	20	HHCD	
COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)CCCN3C)cc1SC	728471393	KWPMBPLVRHHXOS-UHFFFAOYSA-N	401.488	3.638	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1	729541758	IZRHVZQTQNTWBQ-CQSZACIVSA-N	406.454	3.604	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3)cc2F)CC1	730194273	DWYIBRFOXGTYRZ-UHFFFAOYSA-N	403.929	3.870	10	20	HHCD	
CC1(C)CC(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)c(O)nc2C1	730282271	CYGRKHZJZCUVPY-UHFFFAOYSA-N	407.514	3.863	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CSCN3C(=O)CC(C)(C)C)cc2)CC1	731014726	HNDGRKBMIMABDA-HXUWFJFHSA-N	417.619	3.877	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1F	731345934	MRODEKKTJIPIDC-UHFFFAOYSA-N	411.437	3.696	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc(S(=O)(=O)C2CCCC2)cc1	733973070	SLWWIYSGTWHVOJ-UHFFFAOYSA-N	410.586	3.772	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c(C)n1-c1cccc(Br)c1	736586325	FZBYVJKEPIXKIK-UMFZYTJCSA-N	423.376	3.838	10	20	HHCD	
CCc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	741541213	IDUZLEFHBSZFBH-UHFFFAOYSA-N	406.448	3.963	10	20	HHCD	
CCc1cc2c(CN(C)Cc3ccc(N4CCOCC4)cc3)cc(=O)oc2cc1O	741735058	URMUTQJXXNLTRH-UHFFFAOYSA-N	408.498	3.530	10	20	HHCD	
COC(=O)[C@@H](CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccccc1	742119876	UKBOTJXWMCRPHT-QFIPXVFZSA-N	406.482	3.789	10	20	HHCD	
C[C@H](NC(=O)c1cc(OCc2ccccc2)ccn1)c1ccc(N2CCOCC2)cc1	742583904	SJZUZLWOLOIYFN-IBGZPJMESA-N	417.509	3.988	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1Br	743719737	QMHKUFPFPLNLQM-UHFFFAOYSA-N	405.248	3.872	10	20	HHCD	
COc1cc(C)cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1O	743736015	MDGSPVTXMAGQLG-AWEZNQCLSA-N	406.429	3.709	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1nnnn1-c1c(C)cccc1C	743870948	IUPPFHBSYRTXIN-UHFFFAOYSA-N	416.323	3.769	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	745779560	ORMHBWAEXAKFAS-GBXCKJPGSA-N	422.573	3.500	10	20	HHCD	
C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CCN1Cc1ccccc1	745788174	GLQGBVQMDORYTL-HXUWFJFHSA-N	406.574	3.875	10	20	HHCD	
Cc1cccc2c1CCN2C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	746388145	QSFOSNAZXCVPCK-UHFFFAOYSA-N	412.401	3.882	10	20	HHCD	
C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc(N(C)C)c(F)c3)cc2F)C[C@@H](C)O1	746708678	QUZBMHFDIAPDCW-HUUCEWRRSA-N	418.488	3.966	10	20	HHCD	
COC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccco1	746769951	IEXPVNHSYNVDEI-PBHICJAKSA-N	409.433	3.537	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	749127681	BSDHTKNIDDDHLL-LJQANCHMSA-N	423.985	3.999	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccc(Br)cc1	749184315	FBTPPJDETJEQKK-WMZOPIPTSA-N	418.335	3.631	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(F)cc2I)cc1	750626545	CYFJEVNROCTMKH-UHFFFAOYSA-N	413.234	3.818	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1	751355969	JLKLVEOHJXNRSR-UHFFFAOYSA-N	403.500	3.702	10	20	HHCD	
Cc1cc(CC(=O)N(CCS(C)(=O)=O)C(C)C)c(C)n1-c1ccc(Cl)cc1	753248795	NSRZXORAWZIMFA-UHFFFAOYSA-N	410.967	3.572	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1	753553290	ILQQFZPZPDHDAQ-UHFFFAOYSA-N	407.436	3.845	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1c(SC(F)F)nc2ccccc21	753636194	KOBDXNHGZIGAFZ-NSHDSACASA-N	407.442	3.510	10	20	HHCD	
COc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1OCc1cscn1	753644416	MGBGDTPJVZHPNU-CYBMUJFWSA-N	414.483	3.503	10	20	HHCD	
COc1ccc(C2(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CCC2)cc1OC	754359487	VYEYRJKLCZJNGK-UHFFFAOYSA-N	424.541	3.621	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1	756097698	ADKAFDGKEOBTJO-MRVPVSSYSA-N	401.221	3.663	10	20	HHCD	
C[C@H](NCCCCN1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1O	756432903	SWSFJZANXMOYRO-IBGZPJMESA-N	412.534	3.549	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc2c(cc1O)CCCC2	756449950	PHMLKBHIEOWEJV-CVEARBPZSA-N	402.560	3.933	10	20	HHCD	
COC1CCN(C(C)(C)CN[C@@H](C)c2cc(Br)c(F)cc2O)CC1	756555035	PVVPODIRXCMYPM-LBPRGKRZSA-N	403.336	3.834	10	20	HHCD	
CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1CC	756964751	HZLMXNBRUFSSLF-KRWDZBQOSA-N	402.560	3.688	10	20	HHCD	
CN(c1ccccc1NC(=O)C(=O)NCCCSc1nccs1)C1CCCC1	762465981	UNNBOUAINOKXGM-UHFFFAOYSA-N	418.588	3.759	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cccc(N2CCCCC2=O)c1	765228469	RKLIATZFNJSVCS-UHFFFAOYSA-N	418.291	3.993	10	20	HHCD	
COc1cc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)ccc1OCC(N)=O	765405837	PULBNRFGJSZSNE-SFHVURJKSA-N	411.546	3.791	10	20	HHCD	
CCn1cc(Br)cc1C(=O)NCc1cccc(Br)c1O	765734978	AZLGNLIHXLIAHP-UHFFFAOYSA-N	402.086	3.669	10	20	HHCD	
C[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	766593053	AWWFMNUOIWPPAZ-LLVKDONJSA-N	413.362	3.682	10	20	HHCD	
CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nnc1-c1ccc(C)cc1	768411492	ILWFJIMAQRXKBF-UHFFFAOYSA-N	409.559	3.748	10	20	HHCD	
Oc1cc2c(cc1CN1CCO[C@H](c3cc(F)c(Cl)cc3Cl)C1)[C@H](O)CO2	768452789	SJSBMDOOCIZYPO-MJGOQNOKSA-N	414.260	3.837	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)cc2)CC1	768721658	LJYZTKOOBDREBA-UHFFFAOYSA-N	418.582	3.931	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(-n2cccn2)c1	768912093	MMSYUVGJWUXUMQ-LJQANCHMSA-N	410.905	3.626	10	20	HHCD	
O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N(Cc1ccco1)Cc1ccccc1O	769243311	YRLMLCUNWBMFQF-UTKZUKDTSA-N	402.516	3.752	10	20	HHCD	
CS(=O)(=O)[C@H]1CCCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	770001577	ODQJJHPUOMGBFJ-FQEVSTJZSA-N	414.531	3.940	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)c2)CC1	770152333	GEGBKGOADATLJS-UHFFFAOYSA-N	420.416	3.590	10	20	HHCD	
C[C@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(N2CCOCC2)cc1	775253615	ABVHOUGXXYTJIY-AWEZNQCLSA-N	400.429	3.702	10	20	HHCD	
Cn1c(COC(=O)/C=C/c2ccc(O)c(O)c2)nc2ccc(Br)cc21	777064645	DMXBIWSURLYVFK-XVNBXDOJSA-N	403.232	3.504	10	20	HHCD	
COc1nc(C)c(Br)cc1C(=O)NCCCSc1nccs1	777143163	GWZOIPFYFKZEID-UHFFFAOYSA-N	402.339	3.530	10	20	HHCD	
CC(C)(C)OC(=O)N1CC=C(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1	777454257	ZLQWDWLHWHRHFW-UHFFFAOYSA-N	414.550	3.653	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)c1	779336167	XITSRNWSBGSRCU-UHFFFAOYSA-N	424.906	3.991	10	20	HHCD	
O=C(Nc1cccc2c1OCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	782651768	VHADZURVSOCFLU-CYBMUJFWSA-N	405.401	3.807	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)cc1	785425176	XIJCOZSQLRWFGA-DYESRHJHSA-N	405.542	3.785	10	20	HHCD	
Cc1cc(C(F)(F)F)ccc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1	785539481	RGGUUHNCHJPZEW-UHFFFAOYSA-N	412.477	3.538	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc3cc(OC)ccc3c2)cc1	785888532	VWRUCLIHLPNWRH-UHFFFAOYSA-N	419.525	3.627	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCCc3cc(C)sc3C)cc2)CC1	786263312	WSEUVCMVDOOUJJ-UHFFFAOYSA-N	413.587	3.673	10	20	HHCD	
Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)n2)c1	787016765	GKXXKAUDUKYFMM-HZPDHXFCSA-N	410.497	3.563	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1c(Cl)cccc1Cl	787878462	QWRKVYNPPZYMQR-UHFFFAOYSA-N	408.329	3.724	10	20	HHCD	
CCc1ccc(S(=O)(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1	788089766	HKLXLSJCGBVOTM-UHFFFAOYSA-N	423.538	3.542	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)C3CN(C(=O)OC(C)(C)C)C3)cc2F)C[C@@H](C)O1	788545793	JOVQWPCXIZWFDV-IXDOHACOSA-N	421.557	3.784	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1	789649864	DBRJPDOQHIQNLG-UHFFFAOYSA-N	403.523	3.563	10	20	HHCD	
COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc(O)cc1SC	792702893	HOWPZCNLSTYURZ-UHFFFAOYSA-N	422.297	3.825	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C1CCC(OCCOC)CC1	793658776	VHPISNSVDFJHNK-UHFFFAOYSA-N	414.340	3.725	10	20	HHCD	
CC1=C(Br)CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	797430286	XRBNNMFVRCUBKC-UHFFFAOYSA-N	410.381	3.824	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1C[C@H](c2ccccc2F)C1	798056696	ASTDXELXINFDTE-QAQDUYKDSA-N	401.457	3.547	10	20	HHCD	
C[C@@](O)(CCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	801161893	IAOUJXOFUIHHIG-WZONZLPQSA-N	418.484	3.757	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1	801976666	ASKZITBBEJEJIG-UHFFFAOYSA-N	424.589	3.652	10	20	HHCD	
CN(C(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCCCC1	803448035	GFOSDJLPDJERBP-UHFFFAOYSA-N	423.504	3.554	10	20	HHCD	
C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1Cc1ccccc1	806438513	GYMQKNQDBGXLCP-WMZHIEFXSA-N	424.614	3.702	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)n2)c(C)o1	806900249	UHDALAUKZSPIIJ-UHFFFAOYSA-N	412.515	3.649	10	20	HHCD	
CC1(C)CC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c2ccccc21	807291211	ABNSAQXCCMFGSX-FQEVSTJZSA-N	417.553	3.650	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3cc(Cl)cc(C)c3O)C2=O)c1	808706559	MUNXPFCXAOMLCK-DJJJIMSYSA-N	404.894	3.827	10	20	HHCD	
CCCOc1ccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)c1	809455135	OOLYKYHMNBRUJV-UHFFFAOYSA-N	423.557	3.657	10	20	HHCD	
CC(C)(c1ccc(Cl)cc1)c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1	809519740	TUBGDGWCVDUQGD-UHFFFAOYSA-N	407.879	3.793	10	20	HHCD	
CN1CCC(N2CC[C@H](N(C)Cc3ccc(OCc4ccccc4)cc3O)C2)CC1	809741309	MNEGJWODRVONQE-QHCPKHFHSA-N	409.574	3.572	10	20	HHCD	
COc1ccc(C[C@@](C)(O)CN[C@H](C)c2ccc(Br)cc2O)cc1OC	810254382	CTWFWDNPNUKPEK-ZUOKHONESA-N	424.335	3.816	10	20	HHCD	
Cc1cc(C(F)(F)F)ncc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	810267954	KCVGLLUBGZWEGJ-UHFFFAOYSA-N	422.451	3.939	10	20	HHCD	
CC[C@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@H]1CCOC1	812409528	RYRJHFAUODLTQS-OALUTQOASA-N	413.566	3.553	10	20	HHCD	
COCCNC(=O)c1ccc(Cl)c(NCc2cccc(Br)c2O)c1	864004622	SYKZMCNLWYLBEZ-UHFFFAOYSA-N	413.699	3.796	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(C(=O)NCC(F)(F)F)cc1	915347327	LGZUIYQRXNXGOE-UHFFFAOYSA-N	420.435	3.901	10	20	HHCD	
COc1cc(Br)c(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1O	915852121	GYNLDBDSAHFTJO-MKMNVTDBSA-N	423.313	3.964	10	20	HHCD	
O=C(NC[C@H](c1ccccc1)N1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	915878139	KCLXQMLUXLPNQC-XZOQPEGZSA-N	423.557	3.920	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1	916469129	IIQJQRJJMWOCTE-DEOSSOPVSA-N	422.573	3.502	10	20	HHCD	
Cc1cc(CC(=O)NS(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	916746945	PXTNBEDVMJYYRA-UHFFFAOYSA-N	402.903	3.795	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCCn3cnc4ccccc43)cc2F)C[C@@H](C)O1	918139442	DHKBGEHJGUKGSU-QZTJIDSGSA-N	424.520	3.886	10	20	HHCD	
Cc1cc(CC(=O)OCC(=O)N(C)CC(F)(F)F)c(C)n1-c1ccc(Cl)cc1	919011953	RSUNGKXPDMQQMD-UHFFFAOYSA-N	416.827	3.854	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)N[C@@H]1CCOc2ccccc21	919568468	AZGAYJHMMQEKND-QGZVFWFLSA-N	410.495	3.952	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3ccc(Br)s3)SC2=S)CC1	920473703	RNIPDEZYZQLRGC-DHZHZOJOSA-N	403.392	3.806	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc2c(=O)n3c(nc2c1)CCCCC3	1116850643	SMKIAERRTBOVBF-UHFFFAOYSA-N	409.833	3.565	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@]3(C)C[C@@H]3C)C2)cc1	1845088489	BKWRUBAEUZEFMW-BXKMTCNYSA-N	405.542	3.957	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(-c4cccnc4)n(C4CC4)c3=S)CC2)cc1	7315352	JVJHTISGHBOIBU-UHFFFAOYSA-N	422.558	3.599	10	20	HHCD	
CN(C)c1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)cc1	196405441	BOAKDPDAOJQMDH-UHFFFAOYSA-N	401.557	3.635	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NCc3ccc(N4CCOCC4)cc3)C2)cc1	237914928	AGCLKRWWYJPZHT-LJQANCHMSA-N	417.500	3.883	10	20	HHCD	
Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Br	327414759	XPLMFZSQMZJHKC-UHFFFAOYSA-N	403.320	3.866	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CSCC(=O)c1ccc(Cl)cc1	470980793	CHBIWCLJJGJIMS-UHFFFAOYSA-N	404.919	3.748	10	20	HHCD	
CNS(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)c(F)c1	533979478	VBKXNAJNQICTMQ-UHFFFAOYSA-N	415.490	3.517	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@H]3CN(C(C)C)CCO3)no2)C1	569271701	BBOXFABZERVLBN-JOCHJYFZSA-N	423.561	3.621	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H](OC1CCCC1)c1ccccc1	726916697	DZOJGEGWBJNISY-HSZRJFAPSA-N	412.505	3.979	10	20	HHCD	
Cc1ccc(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)c(O)c1O	727005056	DXFIWGAVUFSIRY-CYBMUJFWSA-N	404.488	3.774	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cnc(-c3ccccc3)nc2)SC1=S	727176069	FUXAJVYZAXQEKF-LICLKQGHSA-N	412.584	3.933	10	20	HHCD	
C[C@H](NC(=O)Cc1ccccc1Br)c1ccc(N2CCOCC2)cc1	729177775	CBDWUYKUFOZMBD-HNNXBMFYSA-N	403.320	3.706	10	20	HHCD	
Cc1ccc(C)c(CSCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	730150946	NSDRHQLRNVFKFK-UHFFFAOYSA-N	402.535	3.829	10	20	HHCD	
O=C(Cc1cc(Cl)c2c(c1)OCCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1	731857293	ZMUYBDYMURQRML-KRWDZBQOSA-N	417.889	3.567	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1	734319738	MMUMGMFWASCFBC-LADGPHEKSA-N	423.557	3.767	10	20	HHCD	
C[C@H](CCC1CCCCC1)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	734537124	WWPXRZZEZRXBNY-NQIIRXRSSA-N	414.594	3.937	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C	743186499	RLBJFNKGRZPHKD-UHFFFAOYSA-N	417.531	3.585	10	20	HHCD	
CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	746237487	MCUXIEJQMWTXNH-UHFFFAOYSA-N	418.534	3.786	10	20	HHCD	
O=C(CN1CCC[C@H]1CC1CCCCC1)NCc1ccc(N2CCOCC2)c(F)c1	747087121	MWUNSQHXIXTBFL-NRFANRHFSA-N	417.569	3.713	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1OCC	748685951	NCSADRQZPCJSSA-UHFFFAOYSA-N	405.501	3.803	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1	748725018	UDPUTUSRWMQBEW-UHFFFAOYSA-N	417.531	3.951	10	20	HHCD	
CN(CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)Cc1ccccc1O	750044122	DDFFWRHRDISJKS-QHCPKHFHSA-N	414.933	3.974	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1C	750134272	OXZMRPYEAPNLTL-HXUWFJFHSA-N	422.525	3.777	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)nc1-c1ccc(F)cc1	751126619	MZIPVKYIZYQLSO-UHFFFAOYSA-N	415.471	3.900	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1	751567277	OUIKWJYTCUEJGS-UHFFFAOYSA-N	410.486	3.600	10	20	HHCD	
CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751932043	RQAIDEAIWXCPII-UHFFFAOYSA-N	423.538	3.910	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CC=C(c4ccc(Cl)cc4)CC3)nc12	752340572	LVXUYBYQYWNORU-UHFFFAOYSA-N	412.877	3.554	10	20	HHCD	
c1cc(N2CCOCC2)ccc1CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1	752825713	BARKLPKWIZEGBN-NRFANRHFSA-N	412.534	3.527	10	20	HHCD	
CC(=O)C[C@@H]1COCCN1C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	753706229	WLPLHAUCCCSXAH-GOSISDBHSA-N	419.319	3.677	10	20	HHCD	
O=C(O)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cc1	756353281	ZPHPEINTWTYXFD-SFHVURJKSA-N	412.383	3.597	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCC3(C)CCCCC3)CC2)cc(OC)c1OC	759294471	VJJUUNNLRBGYHI-UHFFFAOYSA-N	405.539	3.514	10	20	HHCD	
C[C@H](NC(=O)N1CCO[C@@](C)(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	759731954	QIAZLFFXUIXCMR-YADARESESA-N	409.530	3.541	10	20	HHCD	
CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	760888334	XKFVVCZHRJFNCR-UHFFFAOYSA-N	418.335	3.893	10	20	HHCD	
COc1ccc(CC[C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	761033875	XBHATZFTEXKLQF-AWEZNQCLSA-N	402.878	3.840	10	20	HHCD	
CC[C@@H](NC[C@@H](O)c1cc(OC)cc(OC)c1)c1cc(Br)ccc1O	761500636	XXNSMCWEFQYSAN-IEBWSBKVSA-N	410.308	3.946	10	20	HHCD	
CN1CCC(N(C)CCN(C)CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	762293499	CNVFEHKFJUAMBU-UHFFFAOYSA-N	422.577	3.998	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1	770354787	TXUFJQNWFXDJMH-ABAIWWIYSA-N	405.322	3.813	10	20	HHCD	
C[C@H](NC(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	773627556	OUGLXOMXLFIGNS-QFBILLFUSA-N	404.555	3.855	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	773630598	UWKAZFMAQDFRFW-DNVCBOLYSA-N	414.937	3.962	10	20	HHCD	
COc1cc(O)c(CN(C)CC(=O)Nc2ccc(Br)cc2C)cc1OC	775643908	XWWBDSXAXXBDBC-UHFFFAOYSA-N	423.307	3.551	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@H](c4ccc(F)c(Cl)c4)C3)cc2)CC1	775675247	VDWKTGCAUHTFMZ-QFIPXVFZSA-N	403.929	3.804	10	20	HHCD	
Cn1cc(C(C)(C)NCc2cc(Br)cc(Br)c2O)cn1	776177679	SXEPZHIGHRLFFM-UHFFFAOYSA-N	403.118	3.676	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1O	779036722	QTGAJLSFXYVMJI-KYNGSXCRSA-N	411.384	3.882	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)c1cccc(O)c1	779048801	CTPKMQPMNYBGQW-KRWDZBQOSA-N	404.466	3.618	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2c(O)ccc3c2CCCC3)C1	780935214	GLQOYXLABUZLMG-JPYJTQIMSA-N	400.519	3.534	10	20	HHCD	
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1	783855422	NGSFPKBVJUNKFX-UHFFFAOYSA-N	405.834	3.776	10	20	HHCD	
CC/C(=C/C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccc(C)cc1	786259981	TWYNKZDMPIBWEE-XLNRJJMWSA-N	405.542	3.773	10	20	HHCD	
CCOc1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1F	787270294	GDXOAGBMMQOEBA-UHFFFAOYSA-N	404.482	3.572	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccccc1OC(F)F	787373518	MBNDCHNBWBECJQ-AWEZNQCLSA-N	406.429	3.610	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1	788950622	IWSDVRFAGKTEQY-UHFFFAOYSA-N	411.521	3.727	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ncc(C(C)(C)C)s2)cc1	789370117	MAFPOWQVTWSGFH-UHFFFAOYSA-N	402.564	3.884	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	792210183	VMRWGEWBPGYPQJ-UHFFFAOYSA-N	422.312	3.857	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNCc3c(F)cccc3Br)cc2)C1	793044913	VXQVVUUWXQKNPZ-HNNXBMFYSA-N	420.326	3.580	10	20	HHCD	
C[C@@H](CCNC(=O)OC(C)(C)C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	793606662	WPWBPPIKQAITPO-INIZCTEOSA-N	406.527	3.978	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccccc3-c3csc(C)n3)CC2)cc1	795049981	VIQNVGWCZQRLLZ-UHFFFAOYSA-N	422.554	3.888	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1	798059379	QRUXDQGBCBKODG-FXAWDEMLSA-N	403.885	3.671	10	20	HHCD	
C[C@H](NC(=O)NC[C@H]1CCCN1C1CCCCC1)c1ccc(N2CCOCC2)cc1	798061068	SLMJGYZQLWBGTM-WMZHIEFXSA-N	414.594	3.681	10	20	HHCD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	798082625	XZLXWLHSSRXAJS-XZOQPEGZSA-N	409.530	3.872	10	20	HHCD	
COc1coc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)cc1=O	798675294	AHXGRCPOXPSXJL-UHFFFAOYSA-N	421.449	3.584	10	20	HHCD	
CCOc1ccc(-c2nc(NS(=O)(=O)c3cncc(OC)c3)sc2C)cc1	799183253	HPEAPNVHFPNSQS-UHFFFAOYSA-N	405.501	3.722	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)CC[C@H]3CCCO3)cc2Cl)C1	800149172	WHLIDJFYQFNBDC-NVXWUHKLSA-N	400.972	3.565	10	20	HHCD	
Cc1csc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1	800636140	GISLQPDLMDFTSZ-LBPRGKRZSA-N	406.939	3.596	10	20	HHCD	
COc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1S(=O)(=O)N(C)C	802646820	QZYAVAQTCXZDHH-UHFFFAOYSA-N	405.303	3.570	10	20	HHCD	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	803305053	JDSYKOWPDFYMMD-XXBNENTESA-N	423.557	3.556	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2sc(C)nc2C)cc1F	804853092	SXEBNBIONOOWCE-CQSZACIVSA-N	420.554	3.581	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC[C@@](O)(C(F)(F)F)CC3)cc2)CC1	806765848	GYWJGTGWXRDPTO-FQEVSTJZSA-N	413.484	3.912	10	20	HHCD	
CC[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1O	810212996	JKFKUECZNPBQRY-CJNGLKHVSA-N	413.392	3.620	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)c1ccc(Cl)cc1	813433511	PAPZIMPOTVFNRM-GOSISDBHSA-N	410.848	3.760	10	20	HHCD	
O=S(=O)(c1ccc(NNC(=S)Nc2ccc(F)cc2F)cc1)C(F)(F)F	914704049	UVMUBRACYYOMHN-UHFFFAOYSA-N	411.377	3.572	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc2c(cc1Cl)OCCO2	915335275	VDDOBSAUQVQWHD-UHFFFAOYSA-N	417.893	3.612	10	20	HHCD	
COc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ccc1OCC(F)(F)F	915927740	XGWWPHWIFVIDKX-UHFFFAOYSA-N	411.424	3.702	10	20	HHCD	
COc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(OC)c1OC	916836923	BRRSZXAHWUOFQL-UHFFFAOYSA-N	415.490	3.901	10	20	HHCD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nccs1	917529336	BXTGXKKIHWFWQW-UHFFFAOYSA-N	423.560	3.508	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1	918304372	PCHGJZVCIVLBFX-UHFFFAOYSA-N	422.573	3.726	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(Br)c2)cc1	918430491	ZRZDFEVEQRKLEV-UHFFFAOYSA-N	418.335	3.859	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CS(=O)(=O)CC(C)C)c2C)cc1C	919333646	JXTNTYJXWSYQKW-UHFFFAOYSA-N	419.543	3.508	10	20	HHCD	
CC(C)(CCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	920046355	HAGSZWPGSFAWOB-FQEVSTJZSA-N	422.573	3.555	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)CC1	920474115	VRLMVZHJGKTNJA-RIYZIHGNSA-N	415.353	3.884	10	20	HHCD	
C[C@H](NC(=O)Cc1ccc(F)c(Br)c1)c1ccc(N2CCOCC2)cc1	920881565	FPQYILFZWATWHY-AWEZNQCLSA-N	421.310	3.845	10	20	HHCD	
CCN(CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(OC)c(OC)c1	921061582	HIAPIHJTQKXEPQ-UHFFFAOYSA-N	400.397	3.714	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc[nH]2)cc1	1798679786	MFBKVCQOYPTNIR-QQFNCUIESA-N	416.525	3.988	10	20	HHCD	
CCc1ccccc1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	5452733	FFAWMBXVJKOSGJ-UHFFFAOYSA-N	413.429	3.820	10	20	HHCD	
CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(N(C)C)cc1	8171951	CZVUCUWMIMQIRO-LFCNWEHWSA-N	411.590	3.726	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1	72079020	RJYUZESGEAKJLT-UHFFFAOYSA-N	404.555	3.541	10	20	HHCD	
CCOc1ccc(O)c(CNCc2cccc(NC(=O)NCc3ccncc3)c2)c1	237083070	VASZGEBBZULIRA-UHFFFAOYSA-N	406.486	3.797	10	20	HHCD	
CN(Cc1ccccc1O)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl	301874401	LVFYBCYFJYYXJD-UHFFFAOYSA-N	410.783	3.642	10	20	HHCD	
Cc1cc(N2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)nc(C(C)C)n1	472270550	AJRHYVIRTIDLCG-UHFFFAOYSA-N	420.561	3.740	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SC[C@H](O)Cn1cccn1	726072362	QGFRUFJQPXUOPS-OAHLLOKOSA-N	407.337	3.682	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OCC(F)F	726848355	IOBVCCZVMGVAQX-UHFFFAOYSA-N	423.435	3.936	10	20	HHCD	
CN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc21	729577905	GNTBSRJARYYSOK-LJQANCHMSA-N	409.486	3.514	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)cc2)CC1	731016322	HEJBVJLZIVRCNQ-BGYRXZFFSA-N	422.573	3.862	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C)c3cccc(O)c3)cc2F)C[C@@H](C)O1	732885916	CKBJQWPPQCTLLI-BZUAXINKSA-N	401.482	3.705	10	20	HHCD	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	733039866	ULLSKYQYHVQZAB-GMAHTHKFSA-N	422.573	3.927	10	20	HHCD	
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCCSc1nccs1	733974052	DUUQWUFKFOYJTK-KRWDZBQOSA-N	405.589	3.895	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2cccc(OC)c2OC2CCCC2)c1	734069057	JEKMXQRVXPWZMF-UHFFFAOYSA-N	400.475	3.730	10	20	HHCD	
COc1ccc(N2CCCN(CCOc3ccc4c(C)cc(=O)oc4c3)CC2)cc1	740875379	WSHKPRCVAFNLDL-UHFFFAOYSA-N	408.498	3.701	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CCc2cscn2)NC(=O)OC(C)(C)C)cc1	742750369	MIMSJEICHUWIGJ-GOSISDBHSA-N	418.563	3.524	10	20	HHCD	
CCCCNS(=O)(=O)c1cccc(NC(=O)N(CCC)Cc2ccccc2O)c1	743082269	NOSGUPNMVSTOBX-UHFFFAOYSA-N	419.547	3.915	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cc(OC)nc4ccccc34)CC2)cc1	743670178	LJYNRTHWJJFTIG-UHFFFAOYSA-N	420.513	3.674	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C12CCCC2	745918654	NZTNBSVIYCRXON-HMXCVIKNSA-N	402.535	3.821	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H]1CCCSC1	748735623	UUAPFLOYWWFYAZ-HLVNSREUSA-N	412.627	3.741	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NC[C@H](C)c1ccccc1	751930897	JLKKILFYNPEZDM-JKSUJKDBSA-N	423.538	3.781	10	20	HHCD	
Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2ccc(OCc3ccccc3)cc2O)cn1	753550205	VDFPIMBPBBRJJH-GMAHTHKFSA-N	407.514	3.793	10	20	HHCD	
COC(=O)COc1ccccc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1	753618578	FKKOAGLWQRRRMJ-QGZVFWFLSA-N	400.544	3.642	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(-c4nccc(C)n4)c3)CC2)cc1F	753882921	IROAKINHPDKZOT-UHFFFAOYSA-N	421.476	3.954	10	20	HHCD	
C[C@@H](NCCSCCCO)c1cc(Br)cc(Br)c1O	756541125	BUUZMWFHOJCNAQ-SECBINFHSA-N	413.175	3.683	10	20	HHCD	
C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)cc(F)c1O	756674142	IOFQMUZXDYNBGS-SJCJKPOMSA-N	407.283	3.746	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)NCCCSc2nccs2)N2CCCC2)cc1	759117709	POKKTNXPATVGMW-GOSISDBHSA-N	420.604	3.770	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccncc1Br	764243987	ZFMPPWDYKTZRSA-UHFFFAOYSA-N	407.223	3.872	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(c2cccc(F)c2F)CC1	770349950	IXORBQVRVJCMFF-UHFFFAOYSA-N	415.484	3.891	10	20	HHCD	
Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773844802	HEOKKLPOLBBNLO-GFCCVEGCSA-N	422.298	3.779	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCCn1ccc2ccccc21	775078634	WOBLJMVMGHGKQS-UHFFFAOYSA-N	407.514	3.682	10	20	HHCD	
COc1ccc(NC(=O)C[C@H](C)NCc2cccc(Br)c2O)c(OC)c1	775147488	TWRCDTYBSVHWJU-LBPRGKRZSA-N	423.307	3.679	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N(C)C)cc1	775579990	GEDCSUBGEIYRQB-FQEVSTJZSA-N	405.539	3.673	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccccc1C(=O)OC	775773700	JDKFXNFGOXNDFN-UHFFFAOYSA-N	406.276	3.533	10	20	HHCD	
CCOC(=O)c1cnc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc1C	777982758	SYSOYSJAQCODLZ-UHFFFAOYSA-N	406.433	3.644	10	20	HHCD	
CC(=O)Nc1ccc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	780934784	BINUIOURKWQHIB-LJQANCHMSA-N	415.921	3.707	10	20	HHCD	
O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(Cc1ccco1)Cc1ccccc1O	782010905	FVLIASOHNLZLDI-NRFANRHFSA-N	421.409	3.615	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cc(C(F)(F)F)cnc2O)C2CCCCC2)cc1	784061791	FDFBPIZHEXEPFS-UHFFFAOYSA-N	422.407	3.693	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccnn2-c2ccccc2)cc1	784108664	OCTJDQRKAFPRBQ-UHFFFAOYSA-N	403.486	3.616	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CN(C)C(=O)c3ccccc32)c(C)n1-c1ccccc1	787100801	OZRDVQWLNIHGLA-QFIPXVFZSA-N	416.477	3.689	10	20	HHCD	
C[C@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1c[nH]c2ccccc12	787230426	VNYVYDKYIYZNGX-QGZVFWFLSA-N	407.514	3.929	10	20	HHCD	
CSC1(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CCC1	787241110	DADIKKCVGZCKOM-CYBMUJFWSA-N	423.490	3.618	10	20	HHCD	
Cc1cc(C)c([C@@H](C)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c(O)c1	788645448	XPNJOPYTRMJGQO-QUCCMNQESA-N	412.530	3.534	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	792703483	XVEDXFILYVKEOO-UHFFFAOYSA-N	419.278	3.586	10	20	HHCD	
CN(C)c1ccc(CNC[C@@H](c2cccs2)N2CCOCC2)c(C(F)(F)F)c1	792891914	XSUHHFZETJMHLD-SFHVURJKSA-N	413.509	3.996	10	20	HHCD	
Cc1cc(CC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)c(C)n1-c1ccc(Cl)cc1	794310552	RDWKGAGIJXNKPB-AOMKIAJQSA-N	402.922	3.696	10	20	HHCD	
COc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1OC	796704171	XTGTYOYZYXBJSU-MRXNPFEDSA-N	402.510	3.963	10	20	HHCD	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@]2(CCCOC2)O1	797396800	WXWKURMUOYGOLH-GAJHUEQPSA-N	422.485	3.837	10	20	HHCD	
O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	799122561	SQFDFGAHOACNLZ-UHFFFAOYSA-N	416.528	3.555	10	20	HHCD	
C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCN(C)C(=O)C3)c2C(=O)OC(C)(C)C)C1	801710407	KLSHVYYIBQZNTO-STQMWFEESA-N	406.548	3.635	10	20	HHCD	
COCC(=O)N1CCc2cc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21	806442078	YGKXAEVAOIMQPM-UHFFFAOYSA-N	424.284	3.556	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(Cl)cc1F	806857440	XEQKRAHQXDJIPP-UHFFFAOYSA-N	403.885	3.983	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1	806958315	GDRGFZKOVSUGCU-CYBMUJFWSA-N	405.467	3.677	10	20	HHCD	
CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290453	KELBQNJRDLDDBF-LADGPHEKSA-N	417.553	3.755	10	20	HHCD	
CC[C@@H](C)N[C@@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccco1	807441978	SSKOSLNBFWKLRJ-NQIIRXRSSA-N	414.550	3.639	10	20	HHCD	
CCOCCCn1c(C(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812197116	CKMFFAYSUKHVNQ-UHFFFAOYSA-N	401.555	3.553	10	20	HHCD	
CC[C@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@H]1CCOC1	812409529	RYRJHFAUODLTQS-RBUKOAKNSA-N	413.566	3.553	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(C(F)(F)F)cc1	812829591	HOEWROWTPAHHRW-QGZVFWFLSA-N	417.811	3.773	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccnc(-c3ncc[nH]3)c2)cc1	814285616	YLKAFFSIWCRJQG-UHFFFAOYSA-N	401.470	3.973	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)c(C)c2)C(C)C)cc1	815043820	VJWVWADMVJYPOD-QFIPXVFZSA-N	413.562	3.670	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc4c(c3)CCCC4=O)cc2F)C[C@@H](C)O1	815062155	GSTWPKNOKLNRAG-IYBDPMFKSA-N	410.489	3.888	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1	818659861	UFPDZUOQGORVHP-UHFFFAOYSA-N	404.532	3.530	10	20	HHCD	
Cc1cc(CC(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1-c1ccc(Cl)cc1	913009484	JOUKHEJAPLHGBP-UHFFFAOYSA-N	411.889	3.793	10	20	HHCD	
CCOc1c(Cl)cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1OC	915849854	GHDGGEDBYPQBMO-UKTHLTGXSA-N	415.920	3.813	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1	916220627	QUUDMCZMILQIPA-NRFANRHFSA-N	421.570	3.562	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCC[C@@H]1C[C@H]3CC[C@H]1C3)c2[N+](=O)[O-]	916400165	UTVNACQWLBWPNN-SOUVJXGZSA-N	418.449	3.926	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(C)c1	917852127	FFCLMXONHAFBIJ-UHFFFAOYSA-N	404.469	3.657	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1NC(C)=O	918195802	CHPNGCQEDHHLRI-UHFFFAOYSA-N	421.500	3.788	10	20	HHCD	
CC(C)c1ccc(OCCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	921280127	DRNPGBXYHMXAIJ-UHFFFAOYSA-N	400.494	3.871	10	20	HHCD	
CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1816832589	NDJAVPSGJXBVNC-AWEZNQCLSA-N	420.897	3.826	10	20	HHCD	
C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(N2CCOCC2)cc1	65280486	XVOYFALAWGNRBB-QGZVFWFLSA-N	424.501	3.841	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1OCc1cscn1	96956948	YPWCIPDCUGCGSD-UHFFFAOYSA-N	423.538	3.831	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OCc2cccnc2)c1	117528804	HXEYWTOMYXTBPZ-UHFFFAOYSA-N	421.472	3.566	10	20	HHCD	
O=C1/C(=C\c2cnc3ccc(Br)cn23)SC(=S)N1c1cccnc1	210213074	IFANNOXZNOBAPQ-AWNIVKPZSA-N	417.313	3.898	10	20	HHCD	
O=C(NCC(=O)N1CCCc2ccccc21)N(Cc1ccco1)Cc1ccccc1O	726240775	LRVKKHSUMUSWHI-UHFFFAOYSA-N	419.481	3.676	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)NCCc2cccs2)cc1	727693310	SOXMHKCIUUJONL-LJQANCHMSA-N	403.617	3.912	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1	728979604	JEXJOFSQYOBJQE-DYZYQPBXSA-N	406.891	3.735	10	20	HHCD	
CC(C)N1CCC[C@@H](CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	729612445	YUAZHCRSZRMFRN-KRWDZBQOSA-N	424.536	3.676	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccn(-c3cccc(Br)c3)n2)c1	730285525	VXQKTFTZBTZEAL-LBPRGKRZSA-N	416.275	3.840	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCc3c(cccc3NC(C)=O)C2)cc1F	731363997	FZWWUVQSTGPTHJ-UHFFFAOYSA-N	412.509	3.898	10	20	HHCD	
COC(=O)CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(Cl)ccc1O	731845248	SNNMCONINBULIJ-UHFFFAOYSA-N	422.268	3.924	10	20	HHCD	
Cc1cc(C(=O)NCCCN2CCCN(C)CC2)c(C)n1-c1cccc(Cl)c1	733885341	ABARCOGVUNOAAS-UHFFFAOYSA-N	402.970	3.505	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(CCN2CCSCC2)cc1	734650523	GTDHUDQRLYWYNI-UHFFFAOYSA-N	412.603	3.974	10	20	HHCD	
Cc1c(Cl)cccc1OCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	736194715	BUOIGNNNKIRZPJ-UHFFFAOYSA-N	402.922	3.552	10	20	HHCD	
CCOCc1ccccc1CNC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	738298953	KANCFTADIKSIFJ-UHFFFAOYSA-N	409.574	3.962	10	20	HHCD	
O=C(NCCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	741101150	HOJGUHMEVUKQPM-KRWDZBQOSA-N	410.474	3.600	10	20	HHCD	
C[S@](=O)Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742798094	JGFBVIIPWUMFJO-ADKRDUOOSA-N	422.497	3.565	10	20	HHCD	
COc1ccc(OC)c(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742800446	RHUGVDWMIGQYIE-INIZCTEOSA-N	420.456	3.633	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccco1	743340571	HKGUKGOHYSMYGJ-VQTJNVASSA-N	415.534	3.759	10	20	HHCD	
CCCN(Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)Cc1ccccc1O	743870511	VIHMBNREIUJERI-UHFFFAOYSA-N	413.474	3.880	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1	746158808	GWVHJGSILXZWDG-UHFFFAOYSA-N	409.530	3.789	10	20	HHCD	
CSc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1Cl	747751393	INKQULDICJORHV-UHFFFAOYSA-N	403.935	3.699	10	20	HHCD	
C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1	749305199	HDBJSDCWVQYBMN-DKSFEKEHSA-N	411.332	3.580	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2C)c1	749325554	LTPKYPCCJACYFR-UHFFFAOYSA-N	405.498	3.902	10	20	HHCD	
CC[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1cccc(C)c1	752029768	IELNXCNRVQTGOH-JOCHJYFZSA-N	411.546	3.831	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc2ccsc12)c1ccc(N2CCOCC2)cc1	752396555	SNJGAVGTKSNBHD-OAHLLOKOSA-N	409.511	3.554	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccccc1)C[C@@H](O)c1ccco1	753138387	NMMRCKQXCNAXOF-HSZRJFAPSA-N	421.541	3.540	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-n3cccc3)nc2)cc1	753291548	TUEBQGPDFGAPOC-JOCHJYFZSA-N	404.514	3.760	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H](C)CC(=O)c3ccccc3F)CC2)cc1F	753732144	QPEROBNHONLOLU-OAHLLOKOSA-N	402.441	3.531	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(-c4n[nH]c(C)n4)ccc3C)CC2)cc1	755826636	AINSRHUXFVTWMK-UHFFFAOYSA-N	420.517	3.841	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2cccc(OCCN(C)C3CCOCC3)c2)c1	756539427	NGOXMPVOVCPYJK-SFHVURJKSA-N	414.546	3.741	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CN1Cc1ccccc1	757775597	YFYWLFCEKQZXRN-PTUXOGIPSA-N	423.557	3.746	10	20	HHCD	
C[C@H](C[C@H]1CCOC1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	759945713	UDLLVMPXNRAKPL-JKSCSLPYSA-N	424.613	3.661	10	20	HHCD	
O=C(CCSCc1ccccn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761983538	SWGNXPUHFBQQGV-GOSISDBHSA-N	419.978	3.845	10	20	HHCD	
CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1	764802943	AQXNQISYJMCHRR-UHFFFAOYSA-N	400.544	3.573	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(OC)cc1	764895855	WSSVGVKJGCNNEK-VWNXMTODSA-N	423.557	3.719	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(OC)cc3OC)cc2F)CC1	765853916	XVHIKKRCUXNQCE-KRWDZBQOSA-N	401.526	3.836	10	20	HHCD	
CS(=O)(=O)[C@@H]1CCCCN(Cc2c(O)ccc3cc(Br)ccc23)C1	766672382	YXKUVRJUQLATBA-OAHLLOKOSA-N	412.349	3.707	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1	769109321	NZRJALDWCQZUCI-PKTZIBPZSA-N	403.530	3.986	10	20	HHCD	
Cc1cc(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c(C)n1-c1ccc(F)cc1	769313814	IRIWHCQLJOZTTI-XZOQPEGZSA-N	413.537	3.731	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1	769540854	TUUNNNZWJOJMLO-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1Cn1cccn1	769665294	RSRREZVIBWDESO-UHFFFAOYSA-N	407.429	3.959	10	20	HHCD	
CCn1nc(C)c(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C	772504606	ZREZOZMAWCPDQQ-ZIAGYGMSSA-N	403.502	3.594	10	20	HHCD	
COc1ccc(-c2nc(COC(=O)/C=C/c3ccc(O)c(O)c3)cs2)cc1OC	772773362	CDBAWHHGRBCLLP-XBXARRHUSA-N	413.451	3.995	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2OC)cc1F	773306959	DVSOESOROHVRLR-UHFFFAOYSA-N	407.873	3.589	10	20	HHCD	
Cc1nc2cc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2o1	774119032	WYHYYGRJAVAUCJ-UHFFFAOYSA-N	405.410	3.602	10	20	HHCD	
COC(=O)[C@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1	775172311	APCVENQGZWXYKE-LKJUBWIJSA-N	410.253	3.622	10	20	HHCD	
COc1cc(OC)cc([C@@H](NCc2cc(Cl)cc(F)c2O)c2nccn2C)c1	777445210	IKCKNMYEJQZKDX-GOSISDBHSA-N	405.857	3.815	10	20	HHCD	
CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779523702	DSHOIBBISFNNOY-LKJUBWIJSA-N	402.441	3.685	10	20	HHCD	
Fc1cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccc1N1CCOCC1	783595089	NCCYAJRSUNTVLY-INIZCTEOSA-N	412.431	3.715	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)N2C[C@H]3CCCN3c3ccccc32)cc1	784107249	RDLDPALTPDDFQR-OAQYLSRUSA-N	418.541	3.808	10	20	HHCD	
CC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	785599166	PJEIFLLLPLQOHC-INIZCTEOSA-N	417.456	3.954	10	20	HHCD	
CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	789805390	BNCQMQMNDZQLJA-SFHVURJKSA-N	412.486	3.771	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1c(C)noc1C	791249919	LLIWQDVQYDNDAW-UHFFFAOYSA-N	401.507	3.613	10	20	HHCD	
COC1(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCOCC1	799959466	ZYEJDDZQKNZHOK-MRXNPFEDSA-N	409.958	3.571	10	20	HHCD	
O=S(=O)(Cc1cccc(Br)c1)NCc1ccc(N2CCCC2)cc1	804949375	WXCJAAJLNBJTLY-UHFFFAOYSA-N	409.349	3.669	10	20	HHCD	
CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	806450244	RCTIXNKNKSMPTN-UHFFFAOYSA-N	420.962	3.809	10	20	HHCD	
CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N2CCOCC2)cc1C(F)(F)F	807928732	PPIGYHCQOCXKDS-UHFFFAOYSA-N	413.400	3.587	10	20	HHCD	
C[C@H](c1ccc(F)cc1)N1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1=O	815155497	IWVMXMGOFGCSHR-JPYJTQIMSA-N	411.521	3.504	10	20	HHCD	
O=[N+]([O-])c1cc(CNC2CCN(Cc3ccncc3)CC2)ccc1N1CCCCC1	916836448	HPHUZKVKGDBJGF-UHFFFAOYSA-N	409.534	3.734	10	20	HHCD	
CCOc1ccc(S(=O)(=O)NCc2ccc(N(CC)CC)cc2)cc1OCC	917916285	GUQMUGLOGXWUQJ-UHFFFAOYSA-N	406.548	3.809	10	20	HHCD	
CC(C)[C@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	918006937	UWLZSACIKIFCME-GGAORHGYSA-N	422.573	3.627	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCOC3CCCCC3)cc2F)C[C@@H](C)O1	918134178	TWNIYNGYDKUPDY-IAGOWNOFSA-N	407.530	3.588	10	20	HHCD	
O=C(CCOCc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	918157393	KEQGJNBDUAHKOP-UHFFFAOYSA-N	422.447	3.765	10	20	HHCD	
CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)s1	918740735	YFSQXGAMFKXPPH-SECBINFHSA-N	413.571	3.931	10	20	HHCD	
CCN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)c1ccc(OC)c(OC)c1	921061408	FCSBBXFOLOLPGV-UHFFFAOYSA-N	423.513	3.828	10	20	HHCD	
C[C@H](OC[C@H]1CCCCO1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	921151173	JVSLRHMVIYUNSJ-PGRDOPGGSA-N	400.519	3.849	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(NC3CCCCC3)s2)cc1	18288312	VHCIZXQHZKBSSK-UHFFFAOYSA-N	405.593	3.757	10	20	HHCD	
CCN1CCN(c2ccc(CNc3ncnc4nc(SC)sc34)cc2F)CC1	301184666	JHSJZIGCUYQGOH-UHFFFAOYSA-N	418.567	3.701	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3nc(C(F)F)nc4ccccc34)cc2)CC1	302733088	XRXWCSTZMZAKCK-UHFFFAOYSA-N	411.456	3.848	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1F	303310122	FKFLCWHUBAASGO-FQEVSTJZSA-N	411.521	3.841	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1F	303355437	OQSYWLLDMGLWLT-UHFFFAOYSA-N	406.889	3.763	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)c2cnn(C(C)C)c2n1	523666321	YXHBVMPNKBXOET-UHFFFAOYSA-N	419.510	3.789	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cncc(F)c1	727249243	PNZSAHZBLPQAQW-UHFFFAOYSA-N	401.391	3.746	10	20	HHCD	
O=C1/C(=C/c2cnn(-c3ccc(F)cc3)c2)SC(=S)N1CCc1ccccn1	728311989	GUZNMVQTSUPJCZ-WQRHYEAKSA-N	410.499	3.850	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728838952	BSOPNDRMTONXJJ-UHFFFAOYSA-N	411.380	3.874	10	20	HHCD	
Cc1nn2cc(CCCOC(=O)c3cc(C)n(-c4ccccn4)c3C)cnc2c1C	729198080	FBWVQWGEDZSVOP-UHFFFAOYSA-N	403.486	3.938	10	20	HHCD	
Cc1cc(CC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)c(C)n1-c1ccc(Cl)cc1	729447272	VTCNCNMQYSPUKS-DLBZAZTESA-N	403.954	3.515	10	20	HHCD	
O=[N+]([O-])c1ccc(OCCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	731678848	NYXAJBANYJRYCU-UHFFFAOYSA-N	400.435	3.662	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1	734703008	HFDXFDGAOJVTOA-UHFFFAOYSA-N	422.460	3.642	10	20	HHCD	
COc1cccc(CN(C[C@@H]2CCCO2)C(=O)NCc2ccc(N3CC=CC3)cc2)c1	741090093	BUQLTVBUWLHUCI-DEOSSOPVSA-N	421.541	3.962	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	741213877	IIMIKTRRKNCJGL-NRFANRHFSA-N	414.594	3.617	10	20	HHCD	
COc1ccc(N(CC(=O)NCc2ccccc2Cn2cccn2)CC(C)C)cc1	746169878	CWFIMGZVWGMJSU-UHFFFAOYSA-N	406.530	3.719	10	20	HHCD	
COCCN(C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCCC1	749554505	RHFWHRLMYFBXIH-IAGOWNOFSA-N	407.530	3.540	10	20	HHCD	
COc1ccc([C@H]2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1	749933214	NBVZRWGDUUAPAI-RXVVDRJESA-N	409.530	3.792	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	751386478	GHCWHGGJQDSGFY-KSFYIVLOSA-N	411.521	3.508	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3ccc(Br)cc3O)cn2)CCO1	756428810	BTYIIBCSVKJUKU-KBPBESRZSA-N	406.324	3.626	10	20	HHCD	
C[C@@H](NCc1cccc(OCCN(C)C2CCOCC2)c1)c1ccc(F)cc1O	756538856	GKOWBXHLZRTETE-QGZVFWFLSA-N	402.510	3.872	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1	760384351	MDVSISIOEMQRKJ-KDOFPFPSSA-N	419.447	3.824	10	20	HHCD	
COc1ccccc1[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nccn1C	764813076	BTVIIWQUQWOWSN-HXOBKFHXSA-N	424.520	3.845	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(O)c(Br)c1	765678559	MDHMLROFEIPKSO-UHFFFAOYSA-N	404.308	3.754	10	20	HHCD	
CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	765869040	UMSZYBRYLSKOBP-UHFFFAOYSA-N	411.477	3.634	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1	768274575	GERAHBFWZNEVOT-DZGCQCFKSA-N	408.420	3.871	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnc(-c2ccccc2)s1	768937843	CXDASBOOADSMQG-UHFFFAOYSA-N	408.527	3.863	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1	769786355	RQZFFKCJKVUGDR-QFIPXVFZSA-N	422.506	3.552	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3cccc(OCC(F)(F)F)c3)CC2)cc1	770155086	RKDYMPKOAMVILK-UHFFFAOYSA-N	422.447	3.918	10	20	HHCD	
COC(=O)c1n[nH]c2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc12	772293481	WSOSTTJNJRSRKK-UHFFFAOYSA-N	407.474	3.612	10	20	HHCD	
C[C@H](CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)CN1CCOCC1	772697962	RMIQAJZNEPDTHY-GOSISDBHSA-N	409.534	3.866	10	20	HHCD	
COC(=O)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(F)c1	772723588	JOIAVFMBLUXFOR-UHFFFAOYSA-N	422.403	3.613	10	20	HHCD	
C[C@@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1cc(Cl)c(Cl)cc1O	774115321	JTNMKWKEBVPDDA-GFCCVEGCSA-N	414.333	3.994	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)c1	775368797	GCFDFRBUPDACSU-LLVKDONJSA-N	421.400	3.912	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1	775371336	LVPDHLQVNOXNHD-GFCCVEGCSA-N	401.463	3.953	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)cc2)CC1	775675246	VDWKTGCAUHTFMZ-JOCHJYFZSA-N	403.929	3.804	10	20	HHCD	
CC(C)(C)OC(=O)CCNCc1cc(Br)cc(Br)c1O	776215787	HSYGYQFCQUMTOB-UHFFFAOYSA-N	409.118	3.739	10	20	HHCD	
CSc1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1[N+](=O)[O-]	777130335	QKBYAUXXRKECCA-UHFFFAOYSA-N	403.529	3.800	10	20	HHCD	
CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C/c1ccc(O)c(O)c1	779505890	LGQCBTCYECCQFW-UXBLZVDNSA-N	408.420	3.720	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(N4CCOC4=O)cc3)c2C)cc1	783457181	KTMWPQJKWCGARG-UHFFFAOYSA-N	419.481	3.989	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1-c1cccc(Cl)c1	784030246	LTDHAWJWRDVCTQ-UHFFFAOYSA-N	412.877	3.609	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2sc(-c3ccccc3)nc2C)c1	784701023	DUCXLSCCPSIXEW-LBPRGKRZSA-N	411.483	3.649	10	20	HHCD	
Cc1csc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1I	786847856	ATHMPXCPJNHDMX-UHFFFAOYSA-N	418.275	3.796	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccccc1OC(F)F	787363723	CENPTCSOLFNEBO-HNNXBMFYSA-N	419.472	3.580	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c(C(F)(F)F)c1	792867959	QDSNOLBNGOYZOV-LJQANCHMSA-N	421.463	3.980	10	20	HHCD	
CC[C@H](Cc1ccccc1Br)NC(=O)NCc1ccc(OC)cc1O	792995032	HLVHZKVHJYIMRX-OAHLLOKOSA-N	407.308	3.984	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccoc3)n2)c(C)n1C[C@H]1CCCO1	795546255	AVPOOKGXGZPUSG-CQSZACIVSA-N	407.517	3.801	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCC(=O)N2	796774454	FIKCUBGNACOBRE-ZBFHGGJFSA-N	417.456	3.939	10	20	HHCD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799944555	CANVLCOGMFLKAQ-RYRKJORJSA-N	409.958	3.570	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)Cn3c(=O)cnc4ccccc43)cc2Cl)C1	800050625	YFHWBBCGDLEEEB-MRXNPFEDSA-N	424.932	3.603	10	20	HHCD	
Cc1cnc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1	800636880	PZVKBOSNHKIXRN-LBPRGKRZSA-N	406.939	3.596	10	20	HHCD	
CC(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	802662728	XUPWFGSTNMIFEI-UHFFFAOYSA-N	407.566	3.961	10	20	HHCD	
CC[C@H]1CCC[C@H](NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)C1	807166976	QIZQIUUIDYDUQA-BBRMVZONSA-N	411.340	3.588	10	20	HHCD	
CC(C)CN(CCc1ccc(F)cc1)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807673051	MLBLIGHKISLOCU-GOSISDBHSA-N	413.537	3.796	10	20	HHCD	
CCN(Cc1ccoc1)C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	807951797	AUOCFLSNEBDGBY-MRXNPFEDSA-N	417.937	3.834	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c1O	808693684	MDOYJOMDZJMIQV-VQIMIIECSA-N	415.965	3.902	10	20	HHCD	
O=C(CCc1ccc2ccccc2n1)NCc1ccc(N2CCC(CO)CC2)cc1	813457638	WOHXNZOMPDVQOE-UHFFFAOYSA-N	403.526	3.693	10	20	HHCD	
Cc1cc(CN[C@H](C)c2cc(Br)cc(F)c2O)nc(N2CCCC2)n1	813884711	HIGBWBFDORVYPX-GFCCVEGCSA-N	409.303	3.843	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2O)cc1	815564275	DSSBZCQSNCROAQ-RYUDHWBXSA-N	402.438	3.731	10	20	HHCD	
CC[C@H](Nc1ccc(N2CCN(C(=O)OC)CC2)nc1)c1cc(Cl)ccc1O	815654942	DSXYDETWYHGJRC-KRWDZBQOSA-N	404.898	3.892	10	20	HHCD	
Cc1cccc(NC(=O)CN2CCN(Cc3cc(Cl)c(F)cc3O)CC2)c1C	816482934	ZARPMWZOURHQLY-UHFFFAOYSA-N	405.901	3.558	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)cc2nc(O)[nH]c12	816865898	BIGZXXPITIYNNS-UHFFFAOYSA-N	415.291	3.561	10	20	HHCD	
Cc1cc(CCNC(=O)C[C@H](NC(N)=O)c2ccccc2)c(C)n1-c1ccccc1	822093691	FRLAOZIANWTHEY-QFIPXVFZSA-N	404.514	3.553	10	20	HHCD	
CCOc1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)cn1	857450568	YIUSEWVHNLQXSL-UHFFFAOYSA-N	406.486	3.797	10	20	HHCD	
CCN(CC)C(=O)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	915204697	ZITFAYUYFMCDFL-UHFFFAOYSA-N	420.351	3.887	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(C)s1	915290329	MVQWIIYLSGKANV-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(CS(C)(=O)=O)cc1	918357969	RUCDGHZVOUKWKG-UHFFFAOYSA-N	402.541	3.630	10	20	HHCD	
Cc1ccn(-c2ccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)cc2)n1	919895667	RPOXTLISSCSYPX-UHFFFAOYSA-N	415.541	3.965	10	20	HHCD	
CC1(C)CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@@H]1c1ccccc1	919911345	OYYIPVBEJHESOT-RBBKRZOGSA-N	420.557	3.681	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)CN(CC)c2ccc(OC)c(OC)c2)c1	921062504	ZMHSYZOQDJGUEN-UHFFFAOYSA-N	413.518	3.651	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC2(O)CCC3(CC2)OCCO3)c1	1119693332	HEUJAUDKWQBGDM-UHFFFAOYSA-N	418.921	3.526	10	20	HHCD	
CCN1CCN(C[C@@H](C)CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1	1318499190	IXEXPEXSXYRJIY-KRWDZBQOSA-N	416.997	3.751	10	20	HHCD	
Cn1nc2ccccc2c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1324174350	LHVMOJCKXZASEE-AWEZNQCLSA-N	400.429	3.574	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C=O)cc3)c2C)cc1	5397591	GXYNCEGIQCSEIQ-UHFFFAOYSA-N	419.433	3.733	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc(OC)c1OC	6274872	BMVSXTDHPOQCAQ-UHFFFAOYSA-N	421.950	3.885	10	20	HHCD	
CC(C)COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	40884760	QTEBAYAMGPYBGD-QPEQYQDCSA-N	414.346	3.850	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)ccc21	50356967	PTCAYNLDCNLAFR-UHFFFAOYSA-N	412.555	3.715	10	20	HHCD	
C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(N2CCOCC2)cc1	109180617	ZOVNYUISAWZSCH-SFHVURJKSA-N	420.513	3.773	10	20	HHCD	
Cc1[nH]c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1C(=O)OC(C)C	148457231	WAEDPMXVSGVWFW-INIZCTEOSA-N	413.518	3.524	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1	212056675	HGURCLSVRGTNDJ-YBEGLDIGSA-N	401.469	3.772	10	20	HHCD	
COc1ccc([C@H](NCc2ccc3c(c2)CCO3)c2cccc(S(C)(=O)=O)c2)cc1	237363891	YSOUYBICNIFIII-DEOSSOPVSA-N	423.534	3.913	10	20	HHCD	
Cc1cc(C)n(-c2ccc(N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nn2)n1	301421242	CTHOOZKKXPRVEK-MRXNPFEDSA-N	414.460	3.961	10	20	HHCD	
CCOc1ccc(-c2noc(CCC(=O)N3CCOc4cc(N(C)C)ccc43)n2)cc1	437003589	BUDMXUBPGWUHMN-UHFFFAOYSA-N	422.485	3.560	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)n(C)c2ccccc12	472784914	FVDKOMGDAPICTM-UHFFFAOYSA-N	418.266	3.643	10	20	HHCD	
CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(c2ccc(OC(F)F)cc2)CC1	726593835	AKSQBPMJPSRDMZ-UHFFFAOYSA-N	420.416	3.637	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(OC)ccc3Cl)cc2F)CC1	730132418	CVSBQXPYHTYFGI-UHFFFAOYSA-N	420.916	3.951	10	20	HHCD	
Cc1ccc(C[C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1	731222526	ZYWDMPDSQDNKFO-SFHVURJKSA-N	413.537	3.834	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(O)c1	732885014	ILPQMOLCUAAJPK-CQSZACIVSA-N	423.435	3.808	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c1	733360227	QCOUQGBCAFQIHN-UHFFFAOYSA-N	422.934	3.659	10	20	HHCD	
C[C@](CO)(NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(C(F)(F)F)c1	734845417	PMCJRTXXGHUMDU-MRXNPFEDSA-N	404.772	3.970	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@@H](COC)C2)sc(C)c1-c1ccccc1	739918895	GCPZWBCZYPOQBS-MRXNPFEDSA-N	416.543	3.807	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1	740739969	LCDNLECFMPGHCZ-VWLOTQADSA-N	421.585	3.926	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)ccc21	741083094	SQKLAUCPZAFNKR-GOSISDBHSA-N	408.329	3.909	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c1	741283958	YRADBOWWEFYMHC-RISCZKNCSA-N	423.296	3.938	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)COCC(F)(F)F	745784315	SFURDZKFWXEPPS-JTQLQIEISA-N	413.234	3.654	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@@H](N(C)Cc4ccccc4)C3)CC2)cc1	745801612	YJVDXRXGOHVCSR-HSZRJFAPSA-N	422.573	3.580	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H](c3ncc[nH]3)C2)c(C)n1-c1ccc2c(c1)OCCO2	746453806	MGSCPJOXDLZWMH-GOSISDBHSA-N	420.513	3.651	10	20	HHCD	
COc1sc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)cc1Br	746521468	AXFGYVWLEDRSRZ-BJMVGYQFSA-N	417.331	3.909	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1F	747658946	WRXFAWFITVCJRG-SFHVURJKSA-N	412.427	3.579	10	20	HHCD	
O=C1C[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c2ccc(F)cc2N1	751306844	CEYHZJAMIUMDHV-OAHLLOKOSA-N	401.401	3.600	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1	751678668	NTZUMGOJBFQEPR-FQEVSTJZSA-N	401.551	3.987	10	20	HHCD	
CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C1(CC)CC	752918816	ZWNZHMSSYHSYBE-RTWAWAEBSA-N	403.567	3.648	10	20	HHCD	
CCn1c([C@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccccc21	753135021	KBVQTZDMQNERTN-HSZRJFAPSA-N	419.573	3.918	10	20	HHCD	
C/C(=C\C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC(F)F	753201153	RRGNGJNTJMLRAM-NTCAYCPXSA-N	420.431	3.983	10	20	HHCD	
COc1cc(OC)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F	755834154	TYPVYNYOQVRGHS-OAHLLOKOSA-N	404.438	3.762	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3cc(F)cc(F)c3O)CC2)cc1	756359748	QQGQRDYQMZJJOE-MRXNPFEDSA-N	405.489	3.542	10	20	HHCD	
COc1ccc(C[C@H](CO)CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1O	756764505	INDPTMNUOUTRLK-FQEVSTJZSA-N	422.525	3.698	10	20	HHCD	
CN1CCN(CC2(C)CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)CC2)CC1	758254065	PYMUHXKZBGSQLW-UHFFFAOYSA-N	411.590	3.867	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCCC3CCCCC3)CC2)cc(OC)c1OC	759223972	XVLQCWCXMSYWEU-UHFFFAOYSA-N	405.539	3.514	10	20	HHCD	
CCCC[C@@H](CCC)NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759273983	RWERKEDQLCFTNK-QGZVFWFLSA-N	407.555	3.903	10	20	HHCD	
Cc1noc(C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)c2ccccc2)n1	759875594	OSZVIJKUUAWTJZ-HXUWFJFHSA-N	406.486	3.746	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccccc3-n3nc(C)nc3C)CC2)cc1	759980286	SXCSCOQRHAGSAZ-UHFFFAOYSA-N	420.517	3.637	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)Cn3cnccc3=O)c2C)ccc1Br	760407981	RPQWUNPCEGZXBO-UHFFFAOYSA-N	400.276	3.605	10	20	HHCD	
COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1c(-c2ccccn2)nc2ccccn12	760533567	YQSUOYLKRFXKPO-OAHLLOKOSA-N	400.438	3.910	10	20	HHCD	
CN1CCCc2cc(CN3C(=O)N[C@H](c4ccc(Br)cc4)C3=O)ccc21	761177288	IEXGXOGNNXYJQA-GOSISDBHSA-N	414.303	3.625	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	764770551	CYYIWVZDVKOPAI-BTYIYWSLSA-N	420.937	3.578	10	20	HHCD	
C[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1	765359741	RGYZRYKCDDLQBX-IBGZPJMESA-N	411.569	3.814	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(C(F)(F)F)c1	765978059	CCXAMXRLEZUXNV-HNNXBMFYSA-N	412.477	3.791	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(OC)c(OC(F)F)c3)c2)CC1	770149053	VVQWEYQRWMHGFO-UHFFFAOYSA-N	405.445	3.691	10	20	HHCD	
CCCN(CCC)C(=O)CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771055764	DVVLHBQWKKXUFG-IBGZPJMESA-N	423.985	3.555	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)c2cnn(C)c2)cc1	773231930	SKIYEAJLMLKNLV-QFIPXVFZSA-N	409.509	3.994	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C(C)=O)o3)c2C)cc1	773684852	XLOZFDSRHHINAH-UHFFFAOYSA-N	423.421	3.716	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1	773747532	BAHZQRXKKAXYTR-MRXNPFEDSA-N	404.466	3.735	10	20	HHCD	
Cc1cc(Br)cc(CN(C)Cc2ccccc2N2CCOCC2)c1O	775647370	TYAGPJAUAJGHSV-UHFFFAOYSA-N	405.336	3.932	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(OC)c(Br)c(OC)c2)c1	776023452	MQGWKRUMCTUBFO-UHFFFAOYSA-N	411.252	3.502	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](c3ccccc3)c3ccccn3)CC2)cc1	779003662	YFESXPLITSXBNG-AREMUKBSSA-N	416.569	3.982	10	20	HHCD	
COc1cc(NCc2cc(Cl)cc(F)c2O)ccc1S(=O)(=O)N1CCCC1	780755761	YBJWNWDKFHNABV-UHFFFAOYSA-N	414.886	3.590	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	788520600	IELLXJMXJWSCGG-DYXWJJEUSA-N	411.498	3.721	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N[C@H]2CCCc3occc32)cc1)C1CCCCC1	788610857	MOFKPZGJFBCKNY-NRFANRHFSA-N	409.530	3.859	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(OC(C)(C)C)c1	788912616	XEEMZMQTQPGDHR-UHFFFAOYSA-N	423.557	3.705	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H]1CCC2(CCCCC2)O1)c1ccc(N2CCOCC2)cc1	790249021	JEUDXZZYXUNZTR-RXVVDRJESA-N	401.551	3.765	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1	790688401	DEICKZXZVQZBKA-HSZRJFAPSA-N	422.573	3.784	10	20	HHCD	
COc1ccc(CNC(=O)CCCC(=O)c2ccc(Br)cc2)c(O)c1	794381101	KYISADASCRBODY-UHFFFAOYSA-N	406.276	3.833	10	20	HHCD	
CC[C@@H](NC1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccc(F)cc1O	796736606	ODKWXNAPIMBHBH-HXUWFJFHSA-N	400.494	3.814	10	20	HHCD	
C[C@H](N[C@H](C)c1cc(Br)cc(Br)c1O)C(=O)N1CCCC1	798936704	KNGHZTKFLOSGJU-ZJUUUORDSA-N	420.145	3.579	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CN[C@H](Cc3ccc(F)cc3)C(N)=O)cc2Cl)C1	799979519	HBKJBLKNYIQJEH-FOIQADDNSA-N	403.929	3.902	10	20	HHCD	
COC(=O)c1c(F)cc(NC(=O)NCc2cccc(Br)c2O)cc1F	801835519	PPMHUTVNRVBTBK-UHFFFAOYSA-N	415.190	3.541	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1	801854451	KRSXIQULZJIHIK-FGZHOGPDSA-N	421.545	3.757	10	20	HHCD	
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	804006111	UALMZUROUYXMAQ-AWEZNQCLSA-N	422.356	3.765	10	20	HHCD	
CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	806542764	YAOXOFMBBAUEBX-BBTUJRGHSA-N	414.550	3.606	10	20	HHCD	
CCc1nc2cc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2o1	807513965	ZOZDSUDWLGCPME-UHFFFAOYSA-N	408.241	3.658	10	20	HHCD	
CCOc1ccc([C@H](O)C2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1	812314627	MTGJAMZBXUFQEZ-QHCPKHFHSA-N	411.546	3.807	10	20	HHCD	
C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(N2CCCNC2=O)cc1	812802017	VUFUUXLWLDJXGF-GFCCVEGCSA-N	404.854	3.724	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H](c3ccccc3)C2)c1	814225469	SWCCBCAHOGNNFE-NRFANRHFSA-N	408.542	3.807	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3ccc(OCC(F)(F)F)nn3)cc2F)C[C@@H](C)O1	820634699	QFDPMFVAEDIFLG-CHWSQXEVSA-N	414.403	3.783	10	20	HHCD	
COc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	915887356	ZHJRHOTXVLYJJX-UHFFFAOYSA-N	423.435	3.550	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc(OC)c1	916668047	BWBRFDWRHQSODW-GASCZTMLSA-N	417.481	3.778	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C)Cc3cnc(C)s3)c2C)cc1	917151184	IZPUOQWNWMICAD-UHFFFAOYSA-N	411.527	3.960	10	20	HHCD	
Cc1cc(O)c(CN2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1C(C)C	917466138	UTDQMUVTHKULIA-UHFFFAOYSA-N	407.558	3.531	10	20	HHCD	
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	918118108	VXUGRKLAHYCHLL-CEWLAPEOSA-N	414.594	3.792	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)cc2F)C[C@@H](C)O1	918138085	ISLDSVZDPDJNOG-IYBDPMFKSA-N	408.477	3.759	10	20	HHCD	
Cc1ccc(SCCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	918188272	GQPXYXPHOQKUMS-UHFFFAOYSA-N	417.550	3.687	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H]1CCCc2ccccc21	918210375	OZMKYHBISSBTCL-IBGZPJMESA-N	411.521	3.706	10	20	HHCD	
O=C(Nc1ccc(Cl)cc1F)C(=O)N(Cc1ccco1)Cc1ccccc1O	918293993	LOAVSKBXZRQBMC-UHFFFAOYSA-N	402.809	3.945	10	20	HHCD	
O=C(Nc1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918295972	VBSDNODFFJOVKN-AWEZNQCLSA-N	423.296	3.845	10	20	HHCD	
CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)C1	1117192922	SDRBLTNHCUECSQ-QGZVFWFLSA-N	414.531	3.673	10	20	HHCD	
Cc1ccc([C@@H](O)c2ccccn2)cc1NCc1ccc(N2CCN(C)CC2)c(F)c1	1117660794	CXTNXDSWTVDDBM-RUZDIDTESA-N	420.532	3.975	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCCCn2cnc3c(N)ncnc32)c1	1251412134	WGESXKJLDDMBNF-UHFFFAOYSA-N	424.892	3.717	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1CS(=O)(=O)c1ccccc1	1337411626	AQLPRSSEOLIEIX-QBFSEMIESA-N	409.463	3.724	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(N4CCCCCC4)nc3)CC2)cc1	1341186054	GEGXXQWAYQIRQP-UHFFFAOYSA-N	408.546	3.823	10	20	HHCD	
Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc2c(c1)CCC2	7918945	FVEDJWGCUXQIGL-ZDLGFXPLSA-N	412.536	3.869	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)nn(C)c3C)c2C)cc1	10197640	UEUXKADTNYOMIY-UHFFFAOYSA-N	409.486	3.883	10	20	HHCD	
O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NCc1cccnc1	97575988	YJQOLFOAFWKMFF-IBGZPJMESA-N	408.527	3.533	10	20	HHCD	
Cc1c(CNC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)n(C)c2ccccc12	472238578	GOLOPNKTRUESCM-UHFFFAOYSA-N	402.502	3.802	10	20	HHCD	
Cc1c(CNC(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)n(C)c2ccccc12	472278638	SJPVAZCAFGFXBL-CLOONOSVSA-N	421.541	3.738	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1C	728519922	DNZRMUJNCVHCRH-UHFFFAOYSA-N	413.481	3.939	10	20	HHCD	
COc1ccc(Cn2nccc2NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	728523230	VOTCOCJWBRIBAP-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1NS(C)(=O)=O	731016666	NDFFLLLLSMBBHZ-UHFFFAOYSA-N	415.559	3.533	10	20	HHCD	
CN(C(=O)COC(=O)c1cc(O)cs1)[C@]1(c2ccccc2Cl)CCCCC1=O	731911209	GFSXZBVWXMEORF-FQEVSTJZSA-N	421.902	3.761	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1	734557497	GGYIIAHSRYQGDD-UHFFFAOYSA-N	415.950	3.578	10	20	HHCD	
CC(C)(C)[S@](=O)CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	735197289	DUVVOXRJZGSSTC-MUUNZHRXSA-N	400.504	3.704	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1F	738991984	XAAGOEZZJWIOAA-KRWDZBQOSA-N	401.457	3.835	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)c2)CC1	739598904	OIPUMBONMUJUNF-UHFFFAOYSA-N	413.543	3.616	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	741677442	ZTFVNZWMECGOBL-UHFFFAOYSA-N	400.479	3.520	10	20	HHCD	
COc1cccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	742749119	CRYLOAVJLVFFMB-HXUWFJFHSA-N	413.518	3.757	10	20	HHCD	
Cc1noc(Cl)c1CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742804710	ATJMWSQPPGWDAJ-CYBMUJFWSA-N	413.852	3.956	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)n1	743705794	WEVSXYMPYRNRHR-HNNXBMFYSA-N	409.490	3.680	10	20	HHCD	
Cc1c(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-]	747823241	CWHHQJFTUUXSQR-NRFANRHFSA-N	411.502	3.720	10	20	HHCD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	747831652	XGXQKLZJKWFXMN-SBUREZEXSA-N	419.566	3.641	10	20	HHCD	
CC[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nnc2n1CCCCC2	749579887	QJNYWLGQMPWXTM-FQEVSTJZSA-N	410.566	3.896	10	20	HHCD	
CC[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OC)cc1	752026141	KQSAYFYATBRYHA-GOSISDBHSA-N	414.521	3.996	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)c3cccc(OC)c3)cc2F)CC1	753219758	FOISMUWOOTXRLL-GOSISDBHSA-N	413.537	3.786	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)COc3cc(C)ccc3Cl)CC2)cc1	754015535	SKUAGZXPEAQTPW-LJQANCHMSA-N	404.938	3.609	10	20	HHCD	
Cc1nc(-c2ccc(C)c(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2)n[nH]1	755831898	ZNVYFGBEXWRILC-MRXNPFEDSA-N	420.517	3.808	10	20	HHCD	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCc2ccncc21	755993286	RROCWOBRAZHLBN-LFIBNONCSA-N	415.565	3.714	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	758734497	PDSNCANOFCZHOB-OALUTQOASA-N	411.546	3.771	10	20	HHCD	
COc1cc(N2CCN(c3cc(C)c(Br)cn3)CC2)cc(OC)c1OC	758937806	YREMGKDZKFRJGY-UHFFFAOYSA-N	422.323	3.505	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3CCO[C@@H]([C@H]4CCOC4)C3)ccc21	763091422	CJNCIHAPSLWMNH-NNMXDRDESA-N	401.503	3.645	10	20	HHCD	
C[C@@]1(c2noc(CCCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)CCCO1	763316968	ODIHPYMBUZHGNZ-YLZCUGDYSA-N	421.569	3.991	10	20	HHCD	
Cc1noc(CCCOC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)n1	763863663	WQKJYZVSGQBZAW-UHFFFAOYSA-N	410.813	3.596	10	20	HHCD	
C[C@H](NCc1cccc(N2CCOC2=O)c1)c1ccc(N2CCOCC2)cc1Cl	765266930	LWQOZNSYDKZTBP-INIZCTEOSA-N	415.921	3.984	10	20	HHCD	
Fc1ccc2c(c1)CC[C@@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765279430	FXNTXMDYEDVKLF-QFIPXVFZSA-N	421.495	3.859	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc4c(c3)CCC(=O)N4)cc2F)CC1	765853098	QUBJSRKNUYMNBY-QGZVFWFLSA-N	410.537	3.703	10	20	HHCD	
O=C(NC[C@H]1CCCCN1Cc1cccc(Br)c1O)c1ccccc1	769245443	SCMVEAUKSHORAU-QGZVFWFLSA-N	403.320	3.939	10	20	HHCD	
CC(C)c1ccc(CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C2CC2)cc1	769621402	OYRKSELZHSIFMH-UHFFFAOYSA-N	402.516	3.692	10	20	HHCD	
CC[C@@]1(C)COCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	770880421	FTBKPGIGVVAMFO-RYBIEJRYSA-N	424.613	3.757	10	20	HHCD	
CC(C)Oc1cncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	771056641	FTWIRRQSHLEQPP-SFHVURJKSA-N	403.910	3.622	10	20	HHCD	
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1C	773017528	HBYTXRCAMOOJMQ-QGZVFWFLSA-N	417.575	3.583	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)nn2[C@@H]2C[C@H]3CC[C@H]2C3)cc1	775140984	NRPSFLAHTYHOQM-IRFCIJBXSA-N	423.561	3.654	10	20	HHCD	
C[C@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	775258117	QQPVEDUIKDNLIY-SJORKVTESA-N	401.938	3.705	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)c1ccc(N(C)C)cc1	775589469	QVPGMLPSIHSDAP-CQSZACIVSA-N	412.515	3.831	10	20	HHCD	
COCC[S@](=O)Cc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775625299	VQTQECGHFIKCLB-HJWYETAXSA-N	403.548	3.530	10	20	HHCD	
CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2cccnc2)no1	776133896	ZMSHTUDSKQOAHD-KXBFYZLASA-N	408.506	3.955	10	20	HHCD	
CSc1cccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-]	776797696	LHXSKRLTUZIFEH-CQSZACIVSA-N	401.488	3.644	10	20	HHCD	
O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(N2CCCC2)cc1	778620312	JSPCRNVRNFRGCD-UHFFFAOYSA-N	402.882	3.890	10	20	HHCD	
CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779523703	DSHOIBBISFNNOY-RRGNZLCHSA-N	402.441	3.685	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c(O)c1O	780863852	YHENSFQWWCOPLM-UHFFFAOYSA-N	411.483	3.619	10	20	HHCD	
CC(C)(CC(F)(F)F)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	781808393	SZXZTMDLDJHGEU-UHFFFAOYSA-N	422.450	3.715	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc2ccccc2n1C(F)F	781920625	PLWJKONQLZHVFL-OAHLLOKOSA-N	415.488	3.807	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3nccnc3Sc3ccccc3)CC2)cc1	783709052	VWUOLCXSNXECCD-UHFFFAOYSA-N	406.511	3.599	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3nccnc3Sc3ccccc3)CC2)cc1	783919285	DSBILHLWORPQGD-UHFFFAOYSA-N	420.538	3.989	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)c1O	785610272	QPHZNLVWRAAQIL-CQSZACIVSA-N	404.663	3.779	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@H]1/C=C/c1ccccc1	788931085	DREMHTOSRXYCRG-VOCPSOEZSA-N	403.526	3.607	10	20	HHCD	
CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)cc2)c1	790054988	UFRMFFAQUCJJJE-UHFFFAOYSA-N	416.952	3.855	10	20	HHCD	
COC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2Br)c1C)[C@H]1CCCO1	790274890	ONTJDSRNRGJQAZ-IEBWSBKVSA-N	421.335	3.780	10	20	HHCD	
Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)cc(F)c1O	793618552	UWKODPGRQNXNCU-MRXNPFEDSA-N	424.904	3.712	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@H](c1ccccc1)C1CCCC1	793635126	RNRFOVWPGNNXON-QGZVFWFLSA-N	403.573	3.789	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)c(Br)c1	794594516	KMEOHIHXMPUQJP-UHFFFAOYSA-N	404.307	3.686	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cscc1Br	796546836	QFULGDBXXAZJFX-UHFFFAOYSA-N	409.349	3.649	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1NCCCSc1nccs1	796771979	NYESUMDGHCTURV-KKUMJFAQSA-N	401.598	3.533	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(c3ccc(Br)cc3)CC1)[C@@H](O)CO2	799944460	ZKFVANMIBLMAIW-IBGZPJMESA-N	404.304	3.960	10	20	HHCD	
Cc1cc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C)c(C)n1-c1ccccc1	800731808	VOFNDRCBEGNXAS-UHFFFAOYSA-N	418.467	3.574	10	20	HHCD	
C[C@@H](c1ccccn1)N(C)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803676654	BDCWWUPTTUPXFT-SFHVURJKSA-N	408.546	3.686	10	20	HHCD	
CC(=O)N1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc21	807030305	KIAGLCOEAYGBQH-MRXNPFEDSA-N	408.285	3.996	10	20	HHCD	
Cc1oc2c(CN3CCOCC(F)(F)C3)c(O)ccc2c(=O)c1-c1ccccc1	808235570	VEXSDYTUFWPVDN-UHFFFAOYSA-N	401.409	3.942	10	20	HHCD	
O=C1CC(C(=O)NCc2cccc(Br)c2O)(c2cccc(Cl)c2)C1	811460171	ZFXHKXMIKHHXTQ-UHFFFAOYSA-N	408.679	3.725	10	20	HHCD	
Cc1ccc(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)c(O)c1O	813866869	KKXJPLJDMZMRHU-HNNXBMFYSA-N	417.811	3.668	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ccc2c(c1)OCO2	814679968	UWRDPLGHXDCREE-LAUBAEHRSA-N	410.514	3.793	10	20	HHCD	
O=S(=O)(c1ccccc1)N1CCC(CNCc2ccc3ccccc3c2O)CC1	816548695	PNHNKOIVCFNIQF-UHFFFAOYSA-N	410.539	3.736	10	20	HHCD	
NC(=O)[C@H]1CCCN(Cc2cccc(CNCc3ccc4ccccc4c3O)c2)C1	816549543	QWHDXLXKRPFZRJ-QFIPXVFZSA-N	403.526	3.533	10	20	HHCD	
C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1	857758512	JACNCIWRQFDAMR-RTBURBONSA-N	421.541	3.967	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(OC4CCCC4)cc3)cc2)C1	917834614	LEBOJFVLTNBKNC-FQEVSTJZSA-N	421.541	3.640	10	20	HHCD	
CC1CCN([C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C(C)C)CC1	918212771	YDBPXBCAICELNL-QFIPXVFZSA-N	418.651	3.796	10	20	HHCD	
CCc1nc2cc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2o1	918220280	AFPRDJZSDVUMPV-UHFFFAOYSA-N	412.465	3.812	10	20	HHCD	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918221605	ZIPZZNNRWWYKGG-CQSZACIVSA-N	421.463	3.968	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CCN(CC3CC3)CC2)cc1	919656137	ZFUNMIQAUANONH-UHFFFAOYSA-N	410.562	3.932	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3cc4ccccc4s3)cc2)C1	920419456	BYRREYUTWJEQRL-SFHVURJKSA-N	422.554	3.602	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCCc4cnn(C(C)C)c43)CC2)cc1	1116606757	YNCFZIBXVMJIRB-NRFANRHFSA-N	411.550	3.772	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCCc4cnn(C(C)C)c43)CC2)cc1F	1254945588	UIUUNSYEFSVOHV-LJQANCHMSA-N	415.513	3.521	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nnc(-c4ccc(-n5cnnn5)cc4)o3)ccc21	1345819107	QDSAPWZEDCTIOC-UHFFFAOYSA-N	415.457	3.597	10	20	HHCD	
CO/C=C(\C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1798304965	QQPFXUQKTAHFDC-RXAXHPCBSA-N	421.541	3.896	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=S)Nc3ccccc3Cl)CC2)cc1	18169083	ZKVJVTYFUYDFAT-UHFFFAOYSA-N	418.994	3.847	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)N3CCc4sccc4C3)sc2n1	28775694	PYWGQIJRHDOCFY-LBPRGKRZSA-N	415.540	3.687	10	20	HHCD	
O=C(CCc1ccc(Br)cc1F)NCc1ccc(N2CCOCC2)cc1	109375015	ZCTVBABPYVJVQE-UHFFFAOYSA-N	421.310	3.674	10	20	HHCD	
COc1cc(-c2noc(CCCCCNCc3ccc4c(c3)CCO4)n2)ccc1O	237470563	RSKZXLSNIFFNDV-UHFFFAOYSA-N	409.486	3.888	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCCN(CCCc4ccccc4)CC3)ccc21	726250127	SKJZBVBTPDNCOV-UHFFFAOYSA-N	420.601	3.919	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NC(=S)NCCc3ccccc3)CC2)cc1	726494143	PSCZDWCITIBNFM-UHFFFAOYSA-N	405.514	3.964	10	20	HHCD	
O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)c(F)c2)N1CC(F)(F)F	727464535	UJRRZYIIJIHGKY-SFHVURJKSA-N	409.383	3.791	10	20	HHCD	
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	727850819	KAPXJYKQLMVTDY-FGZHOGPDSA-N	422.573	3.599	10	20	HHCD	
O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NCc1ccc(N2CCCCC2)cc1	728270341	IJORYMJUJNVGPN-QFIPXVFZSA-N	407.514	3.877	10	20	HHCD	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc(C2CCOCC2)no1	733742188	NRVMLJGPFFNLKX-SDNWHVSQSA-N	421.569	3.859	10	20	HHCD	
CCOC(=O)c1csc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1	733879285	VDYFWYWDKHJGEQ-UHFFFAOYSA-N	401.463	3.796	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cc2c(C(F)(F)F)cc(O)nc2o1	733972980	BWBZLYZCKPSZNY-UHFFFAOYSA-N	403.407	3.921	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(c2ccccc2)C1=O	734657527	HYWUBORDNFJWRA-JOCHJYFZSA-N	406.530	3.624	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c(C)n1-c1ccccn1	742883005	ZBQUDGICGYBOOK-GOSISDBHSA-N	412.534	3.961	10	20	HHCD	
C[C@H]1CN(Cc2c(O)ccc3ccncc23)CCN1C(=O)Cc1cccc(Cl)c1	743384037	VXMFGELYIHQEQD-INIZCTEOSA-N	409.917	3.869	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCS(=O)(=O)Cc2ccccc2)c1	745437543	HMKIVLDZIJQZNB-UHFFFAOYSA-N	410.539	3.747	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1nccs1	747024096	ZUWJLYPGVAFFQA-XFXZXTDPSA-N	410.567	3.929	10	20	HHCD	
CCCOc1ccc(Br)cc1/C=C1\SC(N2CCOCC2)=NC1=O	747147985	LXMPUAZOQOGOPT-PTNGSMBKSA-N	411.321	3.540	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C	749557165	DUARZXOQHJQIRV-WMZHIEFXSA-N	406.574	3.779	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1	749577927	ZGAOOEJCXWNDJN-XMMPIXPASA-N	416.481	3.709	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCCCSc3nccs3)c2)oc1C	749731846	ZNINIAIVBBVRNT-UHFFFAOYSA-N	416.528	3.652	10	20	HHCD	
C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751303520	ZMFQLISSEOCRIP-OAHLLOKOSA-N	409.490	3.838	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCCc3ccc(OC)cc3OC)CC2)cc1	753999616	RNEDLBCJWXDJDG-UHFFFAOYSA-N	412.530	3.820	10	20	HHCD	
CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(C(C)C)c(O)cc3C)cc21	755985915	PTQPDZRJHTUROD-UHFFFAOYSA-N	402.516	3.924	10	20	HHCD	
C[C@@H](NCc1ccccc1Cn1cncn1)c1cc(Br)cc(F)c1O	756393374	NLJILLHNMNGXEP-GFCCVEGCSA-N	405.271	3.784	10	20	HHCD	
C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1cc(Br)c(F)cc1O	756586932	WVBDLZWHRZNQGC-MRVPVSSYSA-N	423.208	3.865	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756638547	UACBWNOLGGGPGA-LBPRGKRZSA-N	407.854	3.950	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)nc2)SC1=S	758417839	XIPYNMPKXCBHBT-QINSGFPZSA-N	405.545	3.528	10	20	HHCD	
CN(Cc1cc(Br)cn1C)C(=O)NCCCSc1nccs1	759592282	YZCIONJBDADGFA-UHFFFAOYSA-N	403.371	3.568	10	20	HHCD	
Cc1cc(C(=O)CSc2nnc(CO)n2C2CC2)c(C)n1-c1cccc(F)c1	760183908	PXIIQPVXDYNJDO-UHFFFAOYSA-N	400.479	3.627	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NCCc2ccc(O)c(O)c2)c1	761651324	NPLQSLCPHRZRCQ-UHFFFAOYSA-N	405.426	3.948	10	20	HHCD	
CC[C@@H](C)n1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C1CC1	763121196	ZAKVWTBDYQLSMF-MRXNPFEDSA-N	423.561	3.927	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccn1	765439123	JVNQBCCOTVVVPB-SFHVURJKSA-N	403.404	3.971	10	20	HHCD	
CCc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1S(C)(=O)=O	765553461	LVIZYIXTVZDNDS-UHFFFAOYSA-N	414.571	3.915	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc(OC)cc3OC)cc2F)CC1	765853917	XVHIKKRCUXNQCE-QGZVFWFLSA-N	401.526	3.836	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(C(F)(F)F)c1	765978060	CCXAMXRLEZUXNV-OAHLLOKOSA-N	412.477	3.791	10	20	HHCD	
CC(C)CCn1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1	766344264	XBLLZKWGHZUTKR-UHFFFAOYSA-N	411.550	3.517	10	20	HHCD	
O=C(Nc1cc(F)cc(F)c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769639316	WHPSCUFODACYIJ-UHFFFAOYSA-N	410.423	3.785	10	20	HHCD	
COc1ccc(OC)c(NC(=S)NNc2ccc(Br)c(F)c2)c1	769764128	UCUMHQOWZTZXKT-UHFFFAOYSA-N	400.273	3.919	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCc4sccc43)CC2)cc1	771240765	QQYCBSSCEFRJFI-OAQYLSRUSA-N	413.587	3.505	10	20	HHCD	
CC(C)(C)OCc1ccccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	773270268	DJFHVDDXUZOYNW-LJQANCHMSA-N	423.557	3.633	10	20	HHCD	
C[C@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1cc(Cl)c(Cl)cc1O	774216298	FERBCEPAXBEYAZ-ZDUSSCGKSA-N	416.393	3.976	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C)Cc3ccccc3)cc2Cl)C1	774326481	JHQDSJGSOQMEHR-KRWDZBQOSA-N	413.949	3.851	10	20	HHCD	
C[C@H]1CN(c2cccc3cnccc23)CCN1Cc1ccc(N2CCN(C)CC2)cc1	775206223	WQECMQXKSZRSAT-NRFANRHFSA-N	415.585	3.697	10	20	HHCD	
CC[C@@H](NCc1ccnc(OCCN(C)C)c1)c1cc(Br)ccc1O	775524719	HGSMAPYHPDKJMF-QGZVFWFLSA-N	408.340	3.731	10	20	HHCD	
Cc1ccc(CNC(=O)c2nnc(CN[C@@H](C)c3ccc(N(C)C)cc3)s2)cc1	775834702	PDBBCSDDIAVZNL-INIZCTEOSA-N	409.559	3.693	10	20	HHCD	
COc1cc(Br)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1OC	776750710	JXBDKMLHVQHADO-UHFFFAOYSA-N	422.684	3.626	10	20	HHCD	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)NCc1ccc(N2CCSCC2)cc1	776897565	ZCTYIMCMTOCJIC-UHFFFAOYSA-N	409.477	3.999	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	778674168	KOOWKAKETHLOHA-MJGOQNOKSA-N	414.550	3.508	10	20	HHCD	
Cc1cc(F)c2nc(O)cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2c1	778766770	IFTHVSBWSNRDIL-UHFFFAOYSA-N	423.488	3.527	10	20	HHCD	
CC(C)[C@@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	781793666	CKGZTHVOQBTCKM-CQSZACIVSA-N	408.545	3.763	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1	782192653	AGIOZQRXEVGIDA-AQTBWJFISA-N	413.520	3.682	10	20	HHCD	
CCc1c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cnn1CC(C)C	784062486	NIPAOUBVOXWPQB-UHFFFAOYSA-N	411.550	3.988	10	20	HHCD	
O=C(COC(=O)c1ccc(Br)cc1C(F)(F)F)c1ccc(O)c(O)c1	784563886	IXYATSQLLHZIRG-UHFFFAOYSA-N	419.149	3.919	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C(C)(C)S(C)(=O)=O)c(C)n1-c1ccc(C(C)C)cc1	785985022	SRANQZPZXQKXFV-UHFFFAOYSA-N	419.543	3.767	10	20	HHCD	
CC[C@H](C)[C@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccccc1	786659508	LXNFGOHTOLPCJU-CYFREDJKSA-N	407.558	3.801	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC2CCC3(CC2)OCCO3)cc1	788500424	ASIYAEXTRBULRX-QFIPXVFZSA-N	416.562	3.584	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F	792702883	HCRTYTSEHQHFSH-UHFFFAOYSA-N	404.872	3.666	10	20	HHCD	
COc1cc(C)c(Br)cc1C(=O)NCc1ccc(N2CCOCC2)cc1	795494153	NTLJKWQBJNKRLZ-UHFFFAOYSA-N	419.319	3.533	10	20	HHCD	
OCCn1ncc2c1CCC[C@H]2NCc1ccc2c(c1)CCN2Cc1ccccc1	796281898	SMHWTWGKFBCVLK-HSZRJFAPSA-N	402.542	3.605	10	20	HHCD	
CC(C)Cc1cccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1	796763972	SZJLXJKTBSNFGW-IBGZPJMESA-N	400.588	3.971	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)S(=O)(=O)c1ccc(F)cc1	798977392	PYDORSSTGFYOKL-HNNXBMFYSA-N	417.458	3.516	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccccc1NC(C)(C)C)c1ccc(N2CCOCC2)cc1	799253265	JUQNDVRPDMVLGT-KRWDZBQOSA-N	424.545	3.550	10	20	HHCD	
CC(C)(COCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	799906169	FRRUWFJWUSJOQB-UHFFFAOYSA-N	400.494	3.522	10	20	HHCD	
CCNC(=O)C(C)(C)CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799959551	PSRLHACWCRMLGU-OAHLLOKOSA-N	408.974	3.538	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1	806402716	ZCQCCSFFLRNYQU-UHFFFAOYSA-N	423.557	3.541	10	20	HHCD	
CC(C)Cn1ncc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C1CC1	806815311	DBYDXBVFZKQSNO-UHFFFAOYSA-N	415.513	3.714	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccncc1OC[C@@H]1CCOC1	807730450	JLJCPXLGDOQDKX-QGZVFWFLSA-N	411.527	3.896	10	20	HHCD	
Cc1cccc(-c2nnc(S)n2CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807838159	JSDUASNUSSVMNZ-UHFFFAOYSA-N	423.325	3.871	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H]3CCN(c4ccccc4Cl)C3)CC2)cc1	810181928	XAOATDYCNKAOJS-SFHVURJKSA-N	413.949	3.914	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1	812561586	SMEKWNBUXWUOID-UHFFFAOYSA-N	402.497	3.945	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@](CO)(Cc3ccccc3)C2)c1O	812779537	CSSWZSXKGFHBPS-NRFANRHFSA-N	420.347	3.981	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C	819761590	WBYGGPLQNGXWBH-UHFFFAOYSA-N	414.252	3.787	10	20	HHCD	
CC1CCN([C@@H](CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C(C)C)CC1	916438762	BQLXBVGYVJWOER-VXKWHMMOSA-N	417.594	3.839	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccccc1C(=O)N1CCCC1	916626383	YBTQZIBJQCZRFM-UHFFFAOYSA-N	424.570	3.798	10	20	HHCD	
O=C(Nc1ccn(Cc2ccccc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	916709938	AWLADMOUSSKQLX-HXUWFJFHSA-N	406.486	3.850	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2F)C[C@@H](C)O1	917709350	GMTMLQGZUDIVPO-BETUJISGSA-N	421.856	3.931	10	20	HHCD	
O=C(Nc1ccccc1OC(F)F)C(=O)N(Cc1ccco1)Cc1ccccc1O	918294804	YJEIUTBLROFBEI-UHFFFAOYSA-N	416.380	3.754	10	20	HHCD	
COc1cccc([C@@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	919692713	PIXGYHWXWOURFB-IXDOHACOSA-N	400.494	3.868	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1	920474111	VRHYTSWYNPRTAZ-FQEVSTJZSA-N	401.919	3.651	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCOC2)c(C)n1-c1cccc(Br)c1	921215516	WGEKWHUEXQFHJU-AWEZNQCLSA-N	406.276	3.619	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)C(=O)NCC(F)(F)F)c(C)n1-c1ccc(Cl)cc1	1115877575	XJKHDBDAYXBRSZ-LLVKDONJSA-N	401.816	3.544	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC1CCN(S(=O)(=O)Cc2ccccc2)CC1	1116588402	FDNHPLRBOQWVBW-XLIONFOSSA-N	414.571	3.833	10	20	HHCD	
O=C(NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1)c1cc(O)nc(O)c1	1792039290	MBVQSCPYKGLRCP-UHFFFAOYSA-N	421.497	3.821	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3cnccn3)CC2)c(C)n1-c1ccc(C(C)C)cc1	25835309	ODOQXORDEJRPGS-UHFFFAOYSA-N	403.530	3.970	10	20	HHCD	
Cc1ccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C	108283211	OUNHXVZHQCANIX-ROUUACIJSA-N	400.494	3.751	10	20	HHCD	
CCOc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1O	236956513	SEHSSZGZVBPLBA-INIZCTEOSA-N	406.548	3.672	10	20	HHCD	
C[C@@H](Nc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(N2CCOCC2)cc1	301331374	BIUCZGRUFJMOSF-MRXNPFEDSA-N	416.485	3.531	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(CNC(=O)c2cccs2)cc1	437026477	PDJGNZWDHDFIMP-UHFFFAOYSA-N	421.522	3.783	10	20	HHCD	
Cc1c(CNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n(C)c2ccccc12	471128525	ZLUFIRRHKCOFDK-UHFFFAOYSA-N	403.486	3.606	10	20	HHCD	
CC(=O)N1c2ccccc2C[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C	726662276	YQCVXZUVSDRONR-QHCPKHFHSA-N	416.477	3.798	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(CCc3cccnc3)C1=O)O[C@H](C)C2	727864403	VKROEQDXPIWHDG-LPXFMOJISA-N	412.536	3.858	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(I)c(F)c1	729316607	OMUOUVIVKXLBKO-UHFFFAOYSA-N	424.257	3.961	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2F)CC1	730134190	RNEKWEHDWIBAOY-UHFFFAOYSA-N	415.469	3.506	10	20	HHCD	
O=C(COc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	731858330	KGIAPMGBCBDGPR-GOSISDBHSA-N	409.404	3.998	10	20	HHCD	
CN(C)c1ccc(CNCCCNC(=O)c2ccc(Br)cc2)cc1F	733327504	SRSQITDNUZHOIF-UHFFFAOYSA-N	408.315	3.564	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1	734016435	QNQHNOWXMQALQQ-SNVBAGLBSA-N	414.683	3.900	10	20	HHCD	
COc1cccc(-n2ccnc2SCC(=O)NCc2ccc(N(C)C)cc2C)c1	734468466	WPTVSUYWRNDCQY-UHFFFAOYSA-N	410.543	3.664	10	20	HHCD	
CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(Cl)cn1	736478971	MVMMOWYGQJGMRY-UHFFFAOYSA-N	421.796	3.695	10	20	HHCD	
Cn1cc(-c2cccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)c2)cn1	741547413	HCJKMJNPBCTSPK-UHFFFAOYSA-N	415.541	3.871	10	20	HHCD	
CCCc1ccc(-c2nc(NS(=O)(=O)c3c[nH]c(C(=O)OC)c3)sc2C)cc1	743046546	XJGQBUBUPMZMLZ-UHFFFAOYSA-N	419.528	3.987	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@]12CCCc1ccccc12	743314428	MCORXCGOUUZKFU-OFVILXPXSA-N	408.517	3.697	10	20	HHCD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745754594	PXQRHAGERDWGER-KZNAEPCWSA-N	424.536	3.676	10	20	HHCD	
CCC(CC)(CCO)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	745798799	BQIBXJGGBYVGDD-UHFFFAOYSA-N	413.509	3.745	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1OCCc2ccccc21	749822580	LZZUGTGREHXKHQ-HXUWFJFHSA-N	402.441	3.687	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)c3ccc(Cl)s3)CC2)cc1	749875148	SCWTZWXKQWJKHL-INIZCTEOSA-N	421.994	3.842	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCc4nnc(C)n4C3)c2C)cc1C	750658959	NMFKVEQGYOOSEW-IBGZPJMESA-N	420.513	3.599	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C)cc1N1CCOCC1	753946064	HJGRNGDWRUYBAX-UHFFFAOYSA-N	410.562	3.629	10	20	HHCD	
CC[C@H](NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)s1	754334232	PGOVHIDMDUUDPF-HKUYNNGSSA-N	424.010	3.634	10	20	HHCD	
O=C(CCCNC(=O)c1ccsc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754544184	WQKULUNPSHHFMS-UHFFFAOYSA-N	418.474	3.672	10	20	HHCD	
CCc1nc([C@@H](C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1	754787126	BCRUKVBJZUZDPD-CYBMUJFWSA-N	419.506	3.770	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3csc([C@H]4CCCO4)n3)cc2F)C[C@@H](C)O1	755578622	GOCTZUFPHGSQHL-BIENJYKASA-N	419.522	3.677	10	20	HHCD	
C[C@H](N[C@@H]1CCCC[C@H]1N1CCOCC1)c1cc(Br)cc(F)c1O	756658215	HVLPBNDWDLAYCK-JCURWCKSSA-N	401.320	3.588	10	20	HHCD	
C[C@@H](NCC1(N2CCCCC2)CCOCC1)c1cc(Br)c(F)cc1O	756704640	IPCFFYGJFHUFPI-CQSZACIVSA-N	415.347	3.980	10	20	HHCD	
CC(C)CN1CC[C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	756985926	XYJLIMJFRIVPKW-ROUUACIJSA-N	424.536	3.534	10	20	HHCD	
Cc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)cc1C	758733750	NEQTXJJRYVOJDN-NRFANRHFSA-N	422.573	3.733	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc4sccc4c3)CC2)cc(OC)c1OC	759242162	UHNQYPXNAOZHFR-UHFFFAOYSA-N	412.511	3.890	10	20	HHCD	
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)c2)n1	760110411	BHALUWJNMGGCGI-UHFFFAOYSA-N	419.481	3.798	10	20	HHCD	
CCOC(=O)c1sc2nc(CN(C)C)nc(N(C)Cc3ccccc3O)c2c1C	760263166	RGVBLFCLJKECHD-UHFFFAOYSA-N	414.531	3.580	10	20	HHCD	
NC(=O)[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	760580641	SCLXNDXRLYOAAE-APWZRJJASA-N	423.891	3.596	10	20	HHCD	
CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1cc(Br)cc(Br)c1O	760890675	YBDVANWTONMSLY-QCZZGDTMSA-N	423.145	3.762	10	20	HHCD	
Cc1ccc(Cn2nc(C)c(CCC(=O)NCCc3ccc(O)c(O)c3)c2C)cc1	762261540	OVLIDXUPVABEEL-UHFFFAOYSA-N	407.514	3.559	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H](C)C2)c(C)n1-c1cccc(C(C)C)c1	762669864	AWYNVGUWLYVIBO-MRXNPFEDSA-N	402.560	3.724	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccn(C2CCCC2)n1	763273544	ZRHLERPWXUFSQO-UHFFFAOYSA-N	422.451	3.784	10	20	HHCD	
CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2O)c1	765903219	HWCBUZVNQHHTNS-LBPRGKRZSA-N	421.291	3.587	10	20	HHCD	
COc1cc(Br)cc(CN2CCc3c(cnn3-c3ccccc3)C2)c1O	768887092	WKLATGYZNIEFLG-UHFFFAOYSA-N	414.303	3.907	10	20	HHCD	
C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(N(C)C)cc4)CC3)cc2NC1=O	769310395	HVLXZQXLCBWWPL-INIZCTEOSA-N	407.514	3.567	10	20	HHCD	
Cc1cc2c(cc1C)[C@H](C(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CO2	769866715	ZYIVXYNQRHGPCC-MBOZVWFJSA-N	412.505	3.849	10	20	HHCD	
COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)c1ccc(OC)c(O)c1	771570556	MTPWAJSCNXYNNN-QFIPXVFZSA-N	422.481	3.761	10	20	HHCD	
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	773615765	YFRHQSVRTORJQD-HOTGVXAUSA-N	403.527	3.772	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	775257026	DMMYKJMFVJBFOI-CVEARBPZSA-N	423.473	3.893	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCNc1cccc(Br)c1	779363943	KIAQYVVPWOCKRX-UHFFFAOYSA-N	415.382	3.799	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C(=O)N2CCc3ccccc32)c1	779511675	VSKJSGBEMQZYCL-PKNBQFBNSA-N	400.434	3.953	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC[C@@H](Cc2ccccc2)C1	782558550	OAXBHMVKZYELCO-FPOVZHCZSA-N	411.521	3.873	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC(OC[C@@H]4CCOC4)CC3)cc2)CC1	784306007	KQDXYZGTTZFFCP-OAQYLSRUSA-N	415.578	3.650	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](OC(C)(C)C)c3ccccc3)cc2)CC1	786659789	PMGCRKXGHLPPCF-HSZRJFAPSA-N	423.557	3.528	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(OCC2CC2)c1	788497892	DXNMGIRRTQGWNZ-UHFFFAOYSA-N	412.555	3.967	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CNCc2c(O)ccc(Cl)c2F)s1	790958763	RRRLRQFBPBTADK-UHFFFAOYSA-N	406.932	3.567	10	20	HHCD	
COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1	794003793	ZWKZUGPREHQXSQ-UHFFFAOYSA-N	424.525	3.605	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Br)cc1	797441208	VWPXDFIYPLYIMN-UHFFFAOYSA-N	417.756	3.989	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1Cl	797613187	UUHYOSCKKAFUBB-UHFFFAOYSA-N	405.882	3.858	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O	802233193	OZXADWYMPGQXOC-GOSISDBHSA-N	417.456	3.788	10	20	HHCD	
CC(C)CCN(CCC(C)C)C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	803311045	MBTVPRDYZJGECF-HXUWFJFHSA-N	417.594	3.621	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1	806846411	NBRYUSBCRPNCTH-PZJWPPBQSA-N	409.555	3.773	10	20	HHCD	
CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807291123	GIOQVDVBVZOELV-UHFFFAOYSA-N	413.521	3.881	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(NC(=O)[C@H]2CCCO2)c1	807836822	QMHBNTDVBWHLDC-MRXNPFEDSA-N	409.269	3.747	10	20	HHCD	
COc1ccc(N2CCN(CCCCOc3c(OC)cccc3OC)CC2)cc1F	808731946	HTIGCBAPMZBDIR-UHFFFAOYSA-N	418.509	3.833	10	20	HHCD	
Cc1nn(-c2ccccn2)c(Cl)c1CN(C)Cc1ccc(N2CCOCC2)cc1	809541447	UEDXQFSKTXKNIR-UHFFFAOYSA-N	411.937	3.698	10	20	HHCD	
COC(=O)Cc1occc1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	811495138	FAZBEDOBHNRBFM-CQSZACIVSA-N	404.894	3.815	10	20	HHCD	
Oc1cc(F)c(Cl)cc1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1	816588277	JXNKXDYBRUAMBJ-UHFFFAOYSA-N	410.824	3.767	10	20	HHCD	
Cc1c(C(=O)NCc2cc(Cl)ccc2O)nnn1Cc1ccc(C(F)(F)F)cc1	857548331	JKDYUANLLWKAMD-UHFFFAOYSA-N	424.810	3.943	10	20	HHCD	
Cc1cc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c(C)n1-c1ccccn1	916160670	XXPXZYNKTZTWAP-UHFFFAOYSA-N	403.482	3.930	10	20	HHCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1cc(Br)c2c(c1)OCCO2	917517814	SRJQOFOPEHXQJL-UVTDQMKNSA-N	409.305	3.677	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	920000271	DMBAFQYUEPJSTM-UHFFFAOYSA-N	419.525	3.881	10	20	HHCD	
COc1cccc(OC)c1OC[C@@H](O)CNCc1cc(C)n(-c2cccc(C)c2)c1C	920411816	IMPDNSABTCSXCB-QFIPXVFZSA-N	424.541	3.949	10	20	HHCD	
Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c12	920880437	IYMSDRPHOYEMKP-CQSZACIVSA-N	406.486	3.736	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(S(=O)(=O)CC)c2)cc1F	1116090920	HNMIIECLBNKFKE-UHFFFAOYSA-N	407.511	3.787	10	20	HHCD	
CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)C1	1117192921	SDRBLTNHCUECSQ-KRWDZBQOSA-N	414.531	3.673	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)cc1	1253312915	ULYUZQHGZVGHBJ-SFHVURJKSA-N	417.517	3.910	10	20	HHCD	
CC[C@@H](CNCc1ccc(N2CCN(C)CC2)c(F)c1)N1CCc2ccccc2C1	1318418802	MEYXARWTUCVDCA-QHCPKHFHSA-N	410.581	3.504	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1OC(F)F	1321091746	WYASLGIOUHRIOQ-AWEZNQCLSA-N	423.435	3.824	10	20	HHCD	
O=C(c1ccc(Cl)cc1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1	1845501818	GZSPWEZYOLYVCX-UHFFFAOYSA-N	421.280	3.535	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	64644594	XQPOGZYSCGXEMZ-IBGZPJMESA-N	400.592	3.868	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)ccc21	195737638	AIGAAFFZIYUEDP-UHFFFAOYSA-N	420.435	3.683	10	20	HHCD	
Cc1ccc(CN(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)cc1	303450308	IFOZVNWXVALLRP-HSZRJFAPSA-N	408.542	3.873	10	20	HHCD	
COc1cccc(N2CC[C@@H](CNC(=O)NCc3c(C)c4ccccc4n3C)C2)c1	471823742	YVRUWKPNMYIXSW-SFHVURJKSA-N	406.530	3.821	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(-n4cnnn4)ccc3Cl)ccc21	482909156	UHUKYGPIRNUJPO-UHFFFAOYSA-N	424.892	3.786	10	20	HHCD	
Cc1c(CNC(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)n(C)c2ccccc12	561779589	DJFOUQQPDBIVNQ-ZEQRLZLVSA-N	420.557	3.700	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCC(=O)N3CCc4ccccc4C3)c2C)c1	726560405	MLDADMCSJZZLMV-UHFFFAOYSA-N	401.510	3.717	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCCCCc3ccccc3)cc2)C1	727846564	ONKAIHKLUHWUDE-JOCHJYFZSA-N	422.573	3.601	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	728697450	GKGYYNANOMUCIA-PDGQHHTCSA-N	419.368	3.988	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	728697486	HHGFLPBRXGXCEY-WJDWOHSUSA-N	409.785	3.970	10	20	HHCD	
CC(=O)N1CCc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)ccc21	728839575	RWTKEWLZJXJAED-UHFFFAOYSA-N	419.447	3.866	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(COCc3ccco3)c2)c1	729063960	MMEKGOCJGXWFNN-HNNXBMFYSA-N	424.453	3.527	10	20	HHCD	
O=C(CCCCCc1ccc(O)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	729523624	TWMIIWRZWMSHHD-UHFFFAOYSA-N	414.521	3.912	10	20	HHCD	
Cc1cc(C(=O)NCC2(N3CCCCC3)CCOCC2)c(C)n1-c1ccc(F)cc1	731889364	GUWSWNUGNZTSTD-UHFFFAOYSA-N	413.537	3.998	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c(OC(F)F)c1	732438835	UTBNPYNNGYTCJL-JTQLQIEISA-N	410.373	3.672	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3cccc(F)c3F)cc2F)C[C@@H](C)O1	732823429	TYNXZYURCCWRIY-HUUCEWRRSA-N	421.463	3.759	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	733609773	KKFAFYDUWRGEIQ-FQEVSTJZSA-N	403.567	3.602	10	20	HHCD	
CN1CCC[C@H](N2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)C1	734486853	LPNMFQFXMWLZQL-QHCPKHFHSA-N	420.561	3.752	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1	734646887	SZSVXNGWJVXCFM-OALUTQOASA-N	410.562	3.992	10	20	HHCD	
CC(C)[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)NC(=O)OC(C)(C)C	734688048	BUIFMRTWDFDTOI-HXUWFJFHSA-N	418.582	3.976	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(OCC(C)C)nc2)cc1	735193652	YSSFMIMKDOXMKZ-UHFFFAOYSA-N	412.534	3.560	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1C	735479739	WAHNGMNAWZHDSG-UHFFFAOYSA-N	411.527	3.704	10	20	HHCD	
CCc1nc2cc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc2o1	737135575	AHZTYFUSLRCONQ-UHFFFAOYSA-N	406.486	3.586	10	20	HHCD	
CC[C@H]1c2ccccc2CCN1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	738243056	MXJKDMHAMNWLNE-DEOSSOPVSA-N	408.542	3.936	10	20	HHCD	
CN(CCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(N2CCCCC2)cc1	738298240	FWGZUSNKBOPCEH-UHFFFAOYSA-N	402.560	3.591	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)N2CCC3(C2)OCCO3)c(C)n1-c1ccc(OC(F)F)cc1	741779017	MWSPVKUMAKDIGS-MRXNPFEDSA-N	420.456	3.716	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1	742476101	VTFMZPJQROBHEO-SFHVURJKSA-N	411.933	4.000	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@@]3(C)c3ccccc3)cc2F)C[C@@H](C)O1	743555301	VEGJIKYZEBEIET-XCPNAXROSA-N	411.521	3.969	10	20	HHCD	
COc1ccc([C@H]2[C@H](C(=O)NCc3c(O)ccc4c3CCCC4)CCC(=O)N2C)cc1	743717752	GBFKSQOLTOBXSZ-YKSBVNFPSA-N	422.525	3.506	10	20	HHCD	
CO[C@@]1(C)C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C	745800129	OOBWCSDCKCMXEK-UTKZUKDTSA-N	411.493	3.760	10	20	HHCD	
COC1CCC(N(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745903129	DBTFQCBNKOHSTJ-HJOIGYKYSA-N	411.493	3.856	10	20	HHCD	
Cc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905770	QUTJGJISFFDIDF-UZLBHIALSA-N	419.472	3.598	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2ccc(F)cc2)C(C)C)c1	746026863	SLXWIQLQSQZREY-UHFFFAOYSA-N	414.521	3.977	10	20	HHCD	
CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	751813212	KJQMFEAKEBYBPY-GOSISDBHSA-N	406.571	3.833	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(C)n1-c1ccc(Cl)cc1	752253363	RBGFKYNLTCHIPN-GOSISDBHSA-N	411.937	3.820	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCCC(=O)N(C)Cc2ccccc2Br)c1	756561507	DGSKBBCJCBQNLD-AWEZNQCLSA-N	421.335	3.863	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c1	757644321	LDBOFHQAIMKGFZ-UHFFFAOYSA-N	422.466	3.559	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@@H](C)C3CCCCC3)CC2)cc(OC)c1OC	759219551	CPHQBMBKKQAFBF-QGZVFWFLSA-N	404.551	3.968	10	20	HHCD	
C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	759583248	IVDRORPHWBQTGJ-VKJFTORMSA-N	423.460	3.661	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](c1ccccc1)[C@@H]1CCCO1	761116681	HGBQTOKSGAUGHE-AZUAARDMSA-N	400.862	3.730	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN1C(=O)OCc1ccccc1	763258614	FEBDYKUIEOMBSI-QFIPXVFZSA-N	407.514	3.704	10	20	HHCD	
COc1ccccc1C(C)(C)CNC(=O)NCc1cccc(Br)c1O	764766924	LQXXBUVGDZZZRT-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
CC1(C)C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(F)cc2O1	765690694	RWFCQZWJXVWQMY-FQEVSTJZSA-N	413.493	3.764	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1	765868616	QRSDDDLZTNMDMX-XXBNENTESA-N	408.590	3.691	10	20	HHCD	
CC(=O)c1cc(CN(C)Cc2cc(C)ccc2F)c(O)c(CN2CCOCC2)c1	766629512	CHENJSXJYWKTOF-UHFFFAOYSA-N	400.494	3.507	10	20	HHCD	
Cc1cn(-c2ccccc2Cl)nc1C(=O)NCc1ccc(N2CCOCC2)cc1	766816616	IFKUSPAEFFZZEW-UHFFFAOYSA-N	410.905	3.601	10	20	HHCD	
CCOc1ccc(C2=CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1	768708153	NPSQCBHAVDZZDG-UHFFFAOYSA-N	421.541	3.921	10	20	HHCD	
COCCC(=O)N1CCC(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	769325513	HWBYUHCOMMNXRX-UHFFFAOYSA-N	417.937	3.505	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H](OC1CCOCC1)c1ccccc1	771854693	CWWORRCQIYJCQM-HFZDXXHNSA-N	423.601	3.853	10	20	HHCD	
CCC(=O)N1CC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1	773221279	KBAUABBLMICOIO-LJQANCHMSA-N	410.514	3.695	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)s1	773619534	MCHBKCZUADPNAE-INIZCTEOSA-N	414.575	3.788	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)c1ccc(N(C)C)cc1	773849781	ZYPCEFFDEJMQKU-GOSISDBHSA-N	408.546	3.554	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CCc2c1cccc2C(F)(F)F)c1ccc(N(C)C)cc1	773854355	BQFRKFVDSDVQGZ-CYBMUJFWSA-N	405.420	3.538	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1)c1ccc(N(C)C)cc1	773857226	KTUCUNMGIPJFSK-MRXNPFEDSA-N	412.509	3.698	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](c2ccc(Cl)cc2)c2nccn2C)c1O	774966770	ZXEKVCIPDYQUNP-MRXNPFEDSA-N	402.838	3.575	10	20	HHCD	
CCS(=O)(=O)c1c(Cl)cccc1CNCc1cccc(Br)c1O	775154243	YQISHNMEWWSZOB-UHFFFAOYSA-N	418.740	3.892	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1	775174171	XARACKKTMKIUEQ-UHFFFAOYSA-N	410.478	3.659	10	20	HHCD	
COC(=O)Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1	777644464	JVVUDLKVZFQCLY-UHFFFAOYSA-N	408.420	3.673	10	20	HHCD	
CC(C)(C)OC(=O)c1ccnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	779428144	GQRNROJJUIOWPV-UHFFFAOYSA-N	401.482	3.749	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cn(C)nc1C(F)(F)F	782802990	UWFVRSZRVIATOI-UHFFFAOYSA-N	421.217	3.961	10	20	HHCD	
COC(=O)[C@@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)[C@@H]1C	787241866	HRYZVJWEDFQCDS-RHSMWYFYSA-N	407.466	3.857	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@@H](CSc2ccccc2)C1	788909278	GKXCHKHBKLGISM-HXUWFJFHSA-N	423.582	3.544	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1	788940269	QEBOAVHZFWWALN-UHFFFAOYSA-N	421.463	3.826	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(CN(C)C)cc2)n1	789728741	VWCSLPDLZYWTAT-UHFFFAOYSA-N	403.529	3.681	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(O)c1	794389885	RQGFFMREXZVZRL-UHFFFAOYSA-N	410.376	3.604	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(Br)c1	794687650	UEMDZXGNZGQXCY-GHXNOFRVSA-N	416.318	3.524	10	20	HHCD	
CCC[C@@]12CCCN1C(=O)N(C1CCN(c3ccc(OC(F)F)cc3)CC1)C2=O	794774305	XVGJXYRUWVMKII-NRFANRHFSA-N	407.461	3.854	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccccc3F)n2)c(F)c1	798155635	STDKNNYQALLPQD-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H]3COc4cc(F)c(Br)cc43)cc2)CC1	800307729	XHRVZUHFEAHACD-IBGZPJMESA-N	420.326	3.563	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H](S(C)(=O)=O)CC3)c2C)cc1F	800457503	XHGHFVHYVCOREX-IBGZPJMESA-N	420.550	3.623	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1	800901408	SSOWQYZRPJXWTG-UHFFFAOYSA-N	418.946	3.888	10	20	HHCD	
O=C(NCc1cccc(CN2CCOCC2)c1)NCc1cc(Cl)cc(Cl)c1O	804946755	QFPXUBDCNFXTON-UHFFFAOYSA-N	424.328	3.531	10	20	HHCD	
Fc1cc(CN2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)ccc1N1CCOCC1	809704326	ZMGUQUMNTGBUGF-RUZDIDTESA-N	409.549	3.760	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc(N2CCOCC2)cc1	810207466	JQDUIPWHYOBMKD-PKOBYXMFSA-N	413.949	3.880	10	20	HHCD	
O=[N+]([O-])c1cc(CNc2cccc(CN3CC[C@H](O)C3)c2)ccc1N1CCCCC1	812776317	BTTMXEMGHHPBOS-NRFANRHFSA-N	410.518	3.764	10	20	HHCD	
COc1ccc([C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1	838721250	VIYQWACBDBAFEQ-HSZRJFAPSA-N	409.530	3.825	10	20	HHCD	
CCCOc1cccnc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	857456971	SCQOZSFECCJAEM-OAHLLOKOSA-N	405.445	3.871	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc([C@H]4C[C@@H]4C)o3)C3CC3)CC2)cc1	915057408	ZGXQNIJMYPPOBD-MBSDFSHPSA-N	423.557	3.725	10	20	HHCD	
COc1cccc(Oc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)cc2)c1	918444700	ZPPRBWBHVDGZSY-UHFFFAOYSA-N	406.438	3.790	10	20	HHCD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	919969347	VXMBPBRJMZBKJE-KRWDZBQOSA-N	416.949	3.941	10	20	HHCD	
CC(C)COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	919970530	JHROZYVCWATSPA-UHFFFAOYSA-N	400.494	3.752	10	20	HHCD	
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3c(Cl)ccc4nonc34)C2)c1	1261140536	WFCRSWNAABFDGR-AWEZNQCLSA-N	412.877	3.984	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccn(C2CCCCC2)n1	1320841157	WNMXLGBRHLEUMF-UHFFFAOYSA-N	411.550	3.919	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(C(C)(C)C)nn3)cc2F)C[C@@H](C)O1	1323954632	MSTKZJPZNPQGED-GASCZTMLSA-N	415.513	3.849	10	20	HHCD	
COc1cccc(-c2cc(C(=O)Nc3ccc(NC(=O)C4=S=CC=C4)cc3)on2)c1	1352318753	QBTLYNZFGNESHJ-UHFFFAOYSA-N	419.462	3.819	10	20	HHCD	
Cc1scc(C(=O)N2CCCC23CN(C(=O)c2cc(O)c(O)c(Cl)c2)C3)c1C	1842554946	JERSOPSQXBNERX-UHFFFAOYSA-N	420.918	3.560	10	20	HHCD	
CCC[C@@H]1NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1=O	14736882	IBFBYMNTZDGCTF-KRWDZBQOSA-N	419.428	3.599	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(CNC(N)=O)cc3)c2C)cc1	21475002	WTAOKKMXRBKUOT-UHFFFAOYSA-N	419.481	3.611	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ncnc3cc(F)c(F)cc23)CC1	480818842	GLLORJGLMBNYHG-UHFFFAOYSA-N	420.419	3.731	10	20	HHCD	
COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OCc1ccccc1	726876447	RXWVYYSKODCOFJ-XSFVSMFZSA-N	400.434	3.736	10	20	HHCD	
COc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1O	727763033	ZTEIFFIBUYNKOT-JTQLQIEISA-N	414.683	3.900	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)c1	728954981	AOPBJCWGUCCUBB-UKRRQHHQSA-N	419.909	3.702	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c1	729061550	HOUUUPVPFDOXJK-CYBMUJFWSA-N	420.893	3.905	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2)CC1	731016263	IAIIZWKEYQRCQO-UHFFFAOYSA-N	401.438	3.665	10	20	HHCD	
O=C(N[C@H]1CCOc2ccc(F)cc21)N(Cc1ccccc1O)C[C@H]1CCCO1	731761181	WGATXOHOCBRJSU-MJGOQNOKSA-N	400.450	3.746	10	20	HHCD	
COc1cccc(CN(C)C(=O)CN(Cc2ccccc2O)C2CCCC2)c1OC	732205264	NEVZIELPBJOQGR-UHFFFAOYSA-N	412.530	3.813	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1	734060036	MMRQIVTYTWEEQM-HOTGVXAUSA-N	411.502	3.841	10	20	HHCD	
COC1CCC(N(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	734660505	QXHPYLFPXOIGHV-FDCMFXBMSA-N	407.530	3.538	10	20	HHCD	
CN(C)C(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	739708143	HMVASMPGMGDAQQ-JOCHJYFZSA-N	424.545	3.668	10	20	HHCD	
O=C(Nc1ccccc1)NC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	741092187	ZJICYMBMOZLDMO-UHFFFAOYSA-N	419.529	3.559	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1	741678733	XGIODYNGZBDRFQ-FQEVSTJZSA-N	424.589	3.725	10	20	HHCD	
Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F	742334028	CXKGZNRVZOJAIE-AWEZNQCLSA-N	414.449	3.683	10	20	HHCD	
COc1cc(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C	742799219	VNTKMFDCRJQZMI-QGZVFWFLSA-N	404.457	3.933	10	20	HHCD	
COc1ccc(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743502950	MJGNEHKQGGKDLR-QGZVFWFLSA-N	419.472	3.807	10	20	HHCD	
Cc1cc(CC(=O)N[C@H](c2ccccc2)c2nn[nH]n2)c(C)n1-c1ccc(Cl)cc1	747472236	XHMRYWBVPGVUNH-OAQYLSRUSA-N	420.904	3.709	10	20	HHCD	
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3O)cc2)c1C	748349890	KEEBFKOMAXNSMC-UHFFFAOYSA-N	410.495	3.740	10	20	HHCD	
CCC(=O)c1cc(Br)ccc1OCC(=O)NCc1ccc(N(C)C)cc1	748447198	MBHCYOABTCKCOC-UHFFFAOYSA-N	419.319	3.803	10	20	HHCD	
Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2)n1	748634625	RIPQAQJEKMXYMH-FQEVSTJZSA-N	418.541	3.876	10	20	HHCD	
CC[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)Oc1ccccc1F	748958097	DDWYYFPZJIUVKQ-YLJYHZDGSA-N	415.509	3.880	10	20	HHCD	
Cc1cnc([C@@H](C)N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1	749884566	ZDQSLZBIJWFMLR-ZIAGYGMSSA-N	419.506	3.905	10	20	HHCD	
CC(=O)Nc1ccc(F)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	751405301	KYOORSVSLISMEL-FQEVSTJZSA-N	413.493	3.672	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c1	751811963	BHMQWPHFVXEMEJ-HUUCEWRRSA-N	409.527	3.700	10	20	HHCD	
COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c([N+](=O)[O-])c1	753125983	JTOUDPALGPAUJH-CYBMUJFWSA-N	400.435	3.639	10	20	HHCD	
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	753279052	WHFCKSMEQXGYBL-GOSISDBHSA-N	401.492	3.648	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cn(C(C)C)cn2)nc1-c1cccc([N+](=O)[O-])c1	753918353	JQXXXNZYERHYRT-UHFFFAOYSA-N	407.477	3.605	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cncc(-c4nncn4C)c3)c2C)cc1	754107339	XQGYTLNCZLFKLL-UHFFFAOYSA-N	402.458	3.546	10	20	HHCD	
Cc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(O)c1	756429061	DCYDMCMUVJBLCS-ROUUACIJSA-N	402.560	3.972	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCN(CC(C)C)C1	757302703	GWTJAUICQGCSGV-OAHLLOKOSA-N	412.372	3.664	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1COc2c(Cl)cccc21	757623026	JQRGKLGRYXQLIF-GOSISDBHSA-N	403.935	3.826	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cc(F)cc(Cl)c3)CC2)cc(OC)c1OC	759994430	SIFGJJIUOVLVSV-UHFFFAOYSA-N	423.872	3.859	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1sc(C)nc1CC(C)C	761026095	KRANPOJMJYVEEC-UHFFFAOYSA-N	402.564	3.703	10	20	HHCD	
Cc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)cc1Br	761962516	MLLQNFZISSJEQD-UHFFFAOYSA-N	424.276	3.552	10	20	HHCD	
O=C(N[C@@H]1COc2ccc(Cl)cc21)N(Cc1ccccc1O)C[C@H]1CCCO1	762359724	YIPFUYYLXUAJFF-SJLPKXTDSA-N	402.878	3.870	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c(C)n1-c1ccccn1	763453626	QFLYNTDNQQAEDE-UHFFFAOYSA-N	418.541	3.946	10	20	HHCD	
O=C1/C(=C\c2cnc(C3CCCC3)s2)SC(=S)N1CCCN1CCOCC1	767680719	SOQJCSNNIDVKLT-FOWTUZBSSA-N	423.629	3.724	10	20	HHCD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(N2CCOCC2)cc1	768169059	DFGIIFXWJNZZET-UHFFFAOYSA-N	421.463	3.791	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2cccc(Cl)c2)cc1	768869028	RFPDMVXRNYVSHI-KHPPLWFESA-N	400.909	3.514	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1	773121113	PPSXYUKCMMPKKE-PGRDOPGGSA-N	411.521	3.504	10	20	HHCD	
COc1ccc(OC)c([C@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1	775831075	OZBHVVOEZHFWOM-HTAPYJJXSA-N	411.546	3.784	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc4ccccc4c3)CC2)cc1	778221363	SWIJZLIHKVGWMB-SEYXRHQNSA-N	415.493	3.692	10	20	HHCD	
CCOCCOc1ccc(Br)cc1NC(=O)c1ccc(C)c(O)c1O	781021828	SIEIKOZNVNYWOI-UHFFFAOYSA-N	410.264	3.836	10	20	HHCD	
O=C(COC(=O)c1cc(C(F)(F)F)ccc1Br)c1ccc(O)c(O)c1	784260892	HBQGJYPPPPPEKS-UHFFFAOYSA-N	419.149	3.919	10	20	HHCD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	785295045	QAGALZLCWCCNBP-CQSZACIVSA-N	416.543	3.983	10	20	HHCD	
COC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1	786999981	PGUHMNGDLNEXRC-LJQANCHMSA-N	421.900	3.503	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1	788911130	OZUUIHYKCXPGPT-NRFANRHFSA-N	411.933	3.920	10	20	HHCD	
CCc1ccc(-c2noc([C@@H](C)NCc3ccc(N4CCN(C)CC4)cc3)n2)cc1	792181167	PJJRBZYRWMTTLQ-GOSISDBHSA-N	405.546	3.902	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1	795993304	NNAUMRVZUQOORM-IBGZPJMESA-N	408.420	3.533	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cnn(-c3ccccc3Br)c2)c(O)c1	797638167	KBBRSKMHVQOBFG-UHFFFAOYSA-N	417.263	3.671	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H](c4ccccc4)C3)cc2F)CC1	798092228	PEEBOLZJPYGKCG-MEMLXQNLSA-N	410.537	3.713	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)Cn3ncc4ccccc4c3=O)cc2Cl)C1	800050640	YKMHYKRDMIBCBD-INIZCTEOSA-N	424.932	3.603	10	20	HHCD	
Cc1nc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2[nH]1	801823997	JDLPRMAKETVDRP-UHFFFAOYSA-N	418.419	3.657	10	20	HHCD	
COCCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	802579039	CCQGPPSNKSHCMK-HXUWFJFHSA-N	410.474	3.695	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)CCC1CCCCC1)c1ccc(N2CCOCC2)cc1	803308746	JHAGJSSYIWVACY-MOPGFXCFSA-N	415.578	3.566	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1ccccc1OC	803703614	NHSDRRRIQPFXKS-UHFFFAOYSA-N	412.530	3.624	10	20	HHCD	
Cc1cc(C(=O)N2CCn3c(nnc3C(F)F)C2)c(C)n1-c1ccc(Cl)cc1	807965792	KGDPZFOZFAYBEK-UHFFFAOYSA-N	405.836	3.933	10	20	HHCD	
CCc1sc2nc(SCC(=O)C(C)=O)n(Cc3ccc(C)cc3)c(=O)c2c1C	808015390	KPYJVVXCUDVDEX-UHFFFAOYSA-N	414.552	3.936	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNCC[C@@]1(O)C[C@H]2CC[C@H]1C2	814171015	HKSFYOLRIKKOSA-KNHMANMVSA-N	419.157	3.948	10	20	HHCD	
Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	814267317	ATUVAUGDSNQPMZ-KBPBESRZSA-N	412.552	3.596	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c1C	839113154	ZMTSBTICMVXAPD-UHFFFAOYSA-N	404.514	3.564	10	20	HHCD	
COc1cccc(C(=O)NCCNC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1	904229349	MVYDAPMLBAKXCJ-UHFFFAOYSA-N	405.498	3.571	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc(Cc3nnc(S)n3C)cs2)cc1	913491819	VIDQHSLNXHRCIP-UHFFFAOYSA-N	424.555	3.811	10	20	HHCD	
O=S(=O)(c1ccc(NNC(=S)Nc2ccccc2Cl)cc1)C(F)(F)F	914704029	SYGHQADEBVUPLS-UHFFFAOYSA-N	409.842	3.947	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1	915306266	PNKQYRXJDQMYHX-UHFFFAOYSA-N	420.916	3.822	10	20	HHCD	
CCN(Cc1nc(O)c2ccccc2n1)C(=O)NCc1ccc(N2CCCC2)cc1	916586912	JMBZHBKVIREARX-UHFFFAOYSA-N	405.502	3.667	10	20	HHCD	
O=C(Nc1ccn(Cc2ccccc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916709937	AWLADMOUSSKQLX-FQEVSTJZSA-N	406.486	3.850	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCc3cc(F)c(F)cc32)c1	917474834	QIZLYGSYKPVKQE-UHFFFAOYSA-N	416.468	3.658	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)Oc3ccccc3F)cc2F)C[C@@H](C)O1	917715431	QQYZNTALDRMSCZ-OWCLPIDISA-N	404.457	3.662	10	20	HHCD	
CN(C)C1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCCCCC1	918187215	ZGMFFJNZPGJRNM-UHFFFAOYSA-N	404.624	3.694	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1	918591452	OXIILCMKTIKGMA-UHFFFAOYSA-N	415.490	3.535	10	20	HHCD	
CCN(CC)Cc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)o1	918699577	MNCQPZIIEMHWSR-CALCHBBNSA-N	417.525	3.804	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccc(C)nc3)c2C)cc1	919486888	QZQPNOZMPDKVAR-UHFFFAOYSA-N	420.465	3.553	10	20	HHCD	
O=C(COC(=O)c1cc(F)ccc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	919897640	DNTHHNACPQZWOI-UHFFFAOYSA-N	421.355	3.536	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]c2c1C(=O)CC(C)(C)C2	920887746	HXSSSOCFRDFBIH-INIZCTEOSA-N	409.530	3.806	10	20	HHCD	
CNC(=O)COc1cccc(Cc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1	1117179613	SYKWLUMQRJTBQY-UHFFFAOYSA-N	416.481	3.860	10	20	HHCD	
O=C1Nc2ccccc2[C@H]1C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	1337026939	YGUCBLYKWQCNLU-HSZRJFAPSA-N	409.505	3.610	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)no1	1337722598	YXKPGBREQNPFKR-UHFFFAOYSA-N	421.497	3.662	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1cccc(Br)c1	4504264	UKJHSLCHOOXQQN-UHFFFAOYSA-N	414.259	3.686	10	20	HHCD	
CC(C)NC(=O)c1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1	65280501	LONMLHALGSXNOX-MRXNPFEDSA-N	412.490	3.743	10	20	HHCD	
CS(=O)(=O)c1ccccc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F	301316582	ACAYAWLOQNUXKQ-UHFFFAOYSA-N	414.449	3.558	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1	303583571	RUYUCVDZCZJTPA-IBGZPJMESA-N	410.606	3.831	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)c2C)cc1	303872435	VDQUZEDAFOXBHN-UHFFFAOYSA-N	420.513	3.516	10	20	HHCD	
Cc1c(CNC(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)n(C)c2ccccc12	472228422	FJIGJHAGCIUCRX-LJQANCHMSA-N	418.541	3.838	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@](C)(CC(=O)OC)c3ccccn3)ccc21	486555271	HXGXJAQKXOXFEB-XMMPIXPASA-N	423.513	3.508	10	20	HHCD	
O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN2CCOc3cccc1c32	678379413	RWFXZYOWXJZEBT-UHFFFAOYSA-N	423.476	3.794	10	20	HHCD	
C[C@H]1CN(CCCCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1	725848713	DTHPFNXWWXVGOH-KDURUIRLSA-N	404.555	3.564	10	20	HHCD	
CC(C)CC(CC(C)C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	728961306	GDXRJAPMMQTGGC-LJQANCHMSA-N	402.583	3.648	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3c(-c4ccccc4)noc3C)cc2F)CC1	730192898	PIFLXXXSTLEPBN-UHFFFAOYSA-N	422.504	3.861	10	20	HHCD	
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	730528595	HOUNCVGDDRZHKD-IBGZPJMESA-N	419.591	3.646	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCCN(c4ccccc4)C3)CC2)cc1	734667319	XYHDQLPICRKDPK-FQEVSTJZSA-N	408.546	3.632	10	20	HHCD	
COc1ccc(N2CCN(CCC(=O)Nc3cccc(Br)c3)CC2)cc1	736309088	YKGWNFYTIWHDHV-UHFFFAOYSA-N	418.335	3.609	10	20	HHCD	
CCOC(=O)N1[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1c1ccc(C)o1	736547648	RNKBPUHHDAZRQL-PMACEKPBSA-N	413.518	3.975	10	20	HHCD	
Cc1ccc(C[C@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1	738501494	WVGLAGYJXAMOSA-INIZCTEOSA-N	401.576	3.696	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)cc1)C1CCCCC1	742247376	ASVIPPGRWZALAW-UHFFFAOYSA-N	411.550	3.592	10	20	HHCD	
CN(C)C(=O)c1cccc(CCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	742373075	NNONUPDYTIHXCZ-UHFFFAOYSA-N	410.518	3.619	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	742475311	FMQINRIVNNNBBL-KRWDZBQOSA-N	413.468	3.624	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3SCCc4ccccc43)cc2F)CC1	742645270	OBWPXQJZOYQLHF-JOCHJYFZSA-N	413.562	3.614	10	20	HHCD	
O=C(Nc1cnc(C2CC2)nc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743139246	GZSNVECTMIRMAI-AWEZNQCLSA-N	403.433	3.746	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)n1	743705784	VSJYDRKNJQERJL-CYBMUJFWSA-N	413.453	3.511	10	20	HHCD	
O=C(CN1CCC(C(F)(F)F)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O	744419696	KCVGOIKZRBRLRF-UHFFFAOYSA-N	416.399	3.675	10	20	HHCD	
CC1CCN([C@H](C)CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745782051	AWVPVNSMVDYWQO-QZTJIDSGSA-N	424.536	3.676	10	20	HHCD	
Cc1ccc(-n2[nH]c(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc2=O)cc1	746237609	PYSHIOGDOUANNT-UHFFFAOYSA-N	404.514	3.640	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1	750252837	DPYCXNZWPJLHOT-UHFFFAOYSA-N	407.514	3.649	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3c(F)cccc3OC(F)F)CC2)cc1	752021835	VJRSCOAJLFJGET-UHFFFAOYSA-N	423.435	3.904	10	20	HHCD	
CCOc1ccccc1OCCCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753739647	USSRSDZJORVQPZ-UHFFFAOYSA-N	416.493	3.741	10	20	HHCD	
COc1ccc(O)c(CNCc2ncc(Br)cc2Br)c1	753963406	BOIFGZLAIRZBPI-UHFFFAOYSA-N	402.086	3.611	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1	756378887	JOKQUKONAPSDAG-YWZLYKJASA-N	418.921	3.556	10	20	HHCD	
C[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1cc(Br)ccc1O	756602888	GJLOUJJQTBFZHY-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
C[C@@H](Cn1cccn1)N[C@@H](C)c1cc(Br)cc(Br)c1O	756673302	YLSZBBGCWUGFQL-UWVGGRQHSA-N	403.118	3.853	10	20	HHCD	
COc1cc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc(OC)c1OC	759241857	JEQZGNKOFAZVSZ-UHFFFAOYSA-N	414.546	3.577	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccc(F)cc1)C1CCCC1	759590815	XSMDUDXMSYBERD-JHKHSNKQSA-N	413.445	3.841	10	20	HHCD	
CO[C@](C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1F	760454576	LHVYIBBBFADPQB-JTSKRJEESA-N	420.912	3.827	10	20	HHCD	
COc1cc(Cl)cc(CN(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c1O	761192568	SALWFNRGNRSYRP-HNNXBMFYSA-N	419.827	3.945	10	20	HHCD	
CN(C)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccc(Cl)cc1	761839682	UFYHHVLDKOXLEH-KRWDZBQOSA-N	422.312	3.766	10	20	HHCD	
CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)c1cc(OC)ccc1O	764259077	FTMCIOMOAGNYEH-LLVKDONJSA-N	421.291	3.542	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(OC)c(OC)c1	765256092	TVVSEQFKOIYGGR-TZIWHRDSSA-N	411.546	3.646	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C)n1-c1ccccn1	765729850	MLPNUUBDPVCQMC-DEOSSOPVSA-N	424.545	3.962	10	20	HHCD	
CCOc1ccc(O)c(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c1	768818686	VDYNANNUBUUTNW-QGZVFWFLSA-N	408.502	3.720	10	20	HHCD	
COCCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)cc1	774382047	PEZLIDRMDBYXKX-LBPRGKRZSA-N	418.342	3.970	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1O	775047855	NMXUGGRRQIVFAA-SCLBCKFNSA-N	423.872	3.884	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1Br	777132354	ZDIPKTLDZYPJGE-UHFFFAOYSA-N	418.335	3.695	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc2ccccc2n1CCc1ccccn1	779529514	DOFCSEVVUKEWQD-LUAWRHEFSA-N	400.438	3.737	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1CCCN(C2CCC2)C1	781400136	DHAARGPQBGRQQR-IPJJNNNSSA-N	415.578	3.736	10	20	HHCD	
CC(C)CCn1nccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782895650	BNNAOVZAJQFDLD-UHFFFAOYSA-N	412.534	3.935	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c2ccc(Br)cc2n1	783086224	YKRHIWJVBXFKEY-UHFFFAOYSA-N	416.227	3.757	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1c(C(=O)OC)sc2ccccc12	790411757	RBMPJWQXHHRZAD-UHFFFAOYSA-N	407.469	3.593	10	20	HHCD	
CC(C)Cc1ncc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cn1	792363432	JBXUWUXNUMFKSZ-KRWDZBQOSA-N	417.513	3.990	10	20	HHCD	
CCOc1cccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	793827124	JGFPQZASGSKRFL-LJQANCHMSA-N	423.557	3.911	10	20	HHCD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	798083042	KZWCCDVBHRVNNX-PZJWPPBQSA-N	413.493	3.621	10	20	HHCD	
CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21	802302471	YQKQUVQGJYPEMF-IRLDBZIGSA-N	412.505	3.934	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1)c1ccc(F)cc1F	804853754	UGJVWDLDNLCRFA-IBGZPJMESA-N	421.463	3.834	10	20	HHCD	
Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2	806457138	DQMFHTAOBNMABD-QFIPXVFZSA-N	411.521	3.972	10	20	HHCD	
COc1ccc(CN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C2CC2)cc1	807670925	JESYBCNMHQTPBT-ROUUACIJSA-N	423.557	3.766	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807836638	IJJMNXABVZHDOO-UHFFFAOYSA-N	423.325	3.997	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)cc1F	809913010	RSCJFDQDNRJWRJ-UHFFFAOYSA-N	408.817	3.750	10	20	HHCD	
COCc1cc(Cl)cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1	810044050	LMJMAQLXUILECW-UHFFFAOYSA-N	408.951	3.955	10	20	HHCD	
CC(C)(C)OC(=O)c1cccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	814826247	VUINLZBNDKAWKF-UHFFFAOYSA-N	401.482	3.749	10	20	HHCD	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	815114263	LNGUBTJPEUREHT-ROUUACIJSA-N	404.514	3.522	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C1CCC(OC[C@H]2CCCO2)CC1	816496401	IWTXVSYBBAXBMV-AVVWSFFYSA-N	412.324	3.525	10	20	HHCD	
COc1ccc(S(N)(=O)=O)cc1NCc1ccc(N(C)Cc2cccs2)cc1	864043680	TZYYVYLUNSXIRA-UHFFFAOYSA-N	417.556	3.653	10	20	HHCD	
Cc1nn(C)c2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc12	914491629	NPOKMIIEDHFQHD-UHFFFAOYSA-N	403.486	3.778	10	20	HHCD	
CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	914903329	JZEYLMMQIXTNMQ-KRWDZBQOSA-N	405.454	3.876	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1	916041280	WOKMKWYVKSXPEU-UHFFFAOYSA-N	408.523	3.657	10	20	HHCD	
O=C1c2ccccc2N[C@@H](c2cc(O)cc(Br)c2O)N1C[C@@H]1CCCO1	917501950	VANNNMUNTOSXBJ-KPZWWZAWSA-N	419.275	3.606	10	20	HHCD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	919775854	ZUTYKAVCQNHHKN-GOSISDBHSA-N	424.545	3.715	10	20	HHCD	
Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919969106	OICXOFZLAGNJPH-UHFFFAOYSA-N	417.553	3.919	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	920866766	KVKDDECUKKZXOE-OFNKIYASSA-N	422.573	3.548	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c[nH]c(Br)c1	1319492874	AIXNFNFYJLJCNW-CQSZACIVSA-N	412.715	3.531	10	20	HHCD	
Cc1nn(C)c(C)c1NC(=O)COC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1321536612	ZPHGEQJDOLJRTG-UHFFFAOYSA-N	414.893	3.893	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)Sc2n[nH]c(N)n2)c(C)n1-c1ccc(OC(F)F)cc1	6235882	UTPTWQSQFKGGND-LLVKDONJSA-N	407.446	3.759	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)ccc21	116167069	JWXALSMRKPKGGB-DEOSSOPVSA-N	413.521	3.857	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1	205636200	QHNKSONEPLRCJN-KAMYIIQDSA-N	405.542	3.663	10	20	HHCD	
CN(C)c1ccc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1	237174514	BVQYFKZPGVIZIH-UHFFFAOYSA-N	419.548	3.903	10	20	HHCD	
O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cnn(Cc2ccc(F)cc2)c1	435909215	YLUXBVWSAKZHQT-CXUHLZMHSA-N	417.400	3.633	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)ccc21	726250581	ZJWXPHVBBUZPCO-UHFFFAOYSA-N	424.520	3.768	10	20	HHCD	
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	727850822	KAPXJYKQLMVTDY-YADHBBJMSA-N	422.573	3.599	10	20	HHCD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728838921	AQIDLPYPZMZJKG-IFXJQAMLSA-N	408.420	3.872	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCCC(C)(C)C)cc2F)C[C@H](C)O1	729025657	AKFRIWGGTZPMKD-IRXDYDNUSA-N	422.541	3.815	10	20	HHCD	
CCOc1ccc(OC)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	729786170	OIEIQEDSVNYQGJ-UHFFFAOYSA-N	424.453	3.560	10	20	HHCD	
COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3O)[C@@H](c3ccco3)C2)cc1	731843042	OYJNQHGZHJRXKP-OAQYLSRUSA-N	419.481	3.804	10	20	HHCD	
CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	731968862	BKYSVNKSJJUBSB-UHFFFAOYSA-N	418.534	3.879	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1	734063865	PWDVCISQOLJPLU-UHFFFAOYSA-N	400.822	3.958	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1F	734533228	BFDXGLAYPZURDH-UHFFFAOYSA-N	403.845	3.595	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C	734667694	MGFCXALLMJCGLA-LJQANCHMSA-N	408.506	3.703	10	20	HHCD	
Cc1nc(C(C)(C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)sc1C	737038097	OMNAWFVOGNDSSP-HNNXBMFYSA-N	402.564	3.892	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc(F)c2)NC(=O)OC(C)(C)C)cc1	742751107	RMJSTPFDWLILSI-HXUWFJFHSA-N	415.509	3.816	10	20	HHCD	
Cc1cccc2c(CCNC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c[nH]c12	743565243	VHPKHSSUANRSKM-GOSISDBHSA-N	406.530	3.916	10	20	HHCD	
CO[C@H](CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(C)C	744688375	QLXHAUDHCWJZFZ-MFYHJKBNSA-N	412.602	3.517	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC(OCC2CC2)CC1	745799185	HMCHSMHDUOIAOQ-UHFFFAOYSA-N	423.504	3.857	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1	746773600	WJOGXLGYLNKZBK-UHFFFAOYSA-N	403.548	3.741	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ccccc3CS(C)(=O)=O)c2C)c1	749432645	LFEUOKBWZZZUDU-UHFFFAOYSA-N	410.539	3.877	10	20	HHCD	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2cccnc12	751137799	XEWIPVUMRVOQEZ-SFHVURJKSA-N	412.511	3.619	10	20	HHCD	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	751308320	VTTNSFJGMCENHJ-DLBZAZTESA-N	405.502	3.620	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCCc2ccccc21	751929860	DKZYWMLNUHEHQJ-OAHLLOKOSA-N	421.522	3.841	10	20	HHCD	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751935301	ALGZZBRLNCEWEO-KDOFPFPSSA-N	401.532	3.510	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1noc(Cc2ccccc2)n1	753004362	VBCANQXFCBDIPS-QGZVFWFLSA-N	403.486	3.597	10	20	HHCD	
CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	756235784	LWOFONZTFDDSOR-FQEVSTJZSA-N	408.458	3.985	10	20	HHCD	
CCc1cc(N2CCC(N[C@H](C)c3cc(Br)ccc3O)CC2)ncn1	756637324	JOVCHGOXPBECMJ-CYBMUJFWSA-N	405.340	3.827	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCOc2ncc(C(F)(F)F)cc2Cl)c1	756734784	ZLKGVWSTXJQESZ-SNVBAGLBSA-N	418.799	3.976	10	20	HHCD	
C[C@H](Nc1ccc(N(C)CCO)cn1)c1cc(Br)cc(Cl)c1O	756846610	VXISOUJSLBODMX-JTQLQIEISA-N	400.704	3.805	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(Br)nn2C)cc1	757969528	YLIIMAFGDLBSPK-UHFFFAOYSA-N	417.307	3.684	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H](C)CCC(C)(C)C)CC2)cc(OC)c1OC	759269068	VOUGUMSHCSMOIG-INIZCTEOSA-N	407.555	3.759	10	20	HHCD	
Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	760892762	XYYPPEXBAZTPRT-UHFFFAOYSA-N	406.461	3.517	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Br)cc2C(C)C)c1	760903358	XCDNWWKTZBNLKE-UHFFFAOYSA-N	421.291	3.542	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc([N+](=O)[O-])c1	761578669	VWYPEPSMAJSAPB-OAGGEKHMSA-N	415.465	3.767	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(CSC2CCOCC2)c1	761651030	XXFUZZAOQYQPTM-UHFFFAOYSA-N	402.516	3.874	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)ccc21	763565836	NFXPNFZOKXSYTJ-LJQANCHMSA-N	413.562	3.722	10	20	HHCD	
O=S1(=O)CCCN1c1cccc(CNCc2cc(-c3ccccc3)ccc2O)c1	764978410	YLGYDOWHBSYNDG-UHFFFAOYSA-N	408.523	3.889	10	20	HHCD	
COc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccc12	765978767	OGTNKGKDNNDLHL-GOSISDBHSA-N	424.566	3.934	10	20	HHCD	
COCc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1-c1ccccc1	767297602	JSRKUXAKPAIZFP-UHFFFAOYSA-N	422.554	3.502	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)c2)CC1	767384023	WGPYKJCPKYCZNW-UHFFFAOYSA-N	406.530	3.818	10	20	HHCD	
O=C(CCc1cccc2c1OCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	769935222	RUYAMRLWTOBAFB-UHFFFAOYSA-N	418.440	3.735	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(SC(F)F)nc2)cc1	771197486	MGHBVHIEOSMSOT-UHFFFAOYSA-N	422.501	3.840	10	20	HHCD	
COc1cc(NCCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc(OC)c1	773090137	CABZXFBKNVRCLM-MRXNPFEDSA-N	419.953	3.957	10	20	HHCD	
CCC(=O)N1CC[C@H](C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	773218743	DPQHQQRASYRCNV-INIZCTEOSA-N	408.458	3.842	10	20	HHCD	
C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCOc2cc(N(C)C)ccc21	774754501	UNKZYWQIWCIGGH-LBPRGKRZSA-N	404.854	3.540	10	20	HHCD	
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1	774878637	VILRSBUDZUGKFH-HNNXBMFYSA-N	409.483	3.530	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(C)cc2OCC(F)(F)F)c1O	775037979	RDZAZPHNVFBONP-UHFFFAOYSA-N	400.353	3.848	10	20	HHCD	
COC1(C)CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1	775560904	FFIRXVUGJYFRAK-SQFISAMPSA-N	424.613	3.757	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1	776131461	KXDBSKRFJBLSGI-SFHVURJKSA-N	408.546	3.726	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1SCCc2ccccc21	777825877	AKHCXZFYELYAPC-LJQANCHMSA-N	405.903	3.578	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@]4(C3)C(=O)Nc3ccccc34)c2C)cc1	779192116	JWYNKQGONNNXLR-RUZDIDTESA-N	415.493	3.839	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(OCC(F)(F)F)c3)c2)CC1	781045076	CGGLUQPHVMCVFP-UHFFFAOYSA-N	421.419	3.549	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cncc(Br)c2)C2CCCCC2)cc1	784061318	APBHECLHIZXLEW-UHFFFAOYSA-N	417.307	3.731	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccccc1SC	785192416	BVNIMKWLVLAETJ-UHFFFAOYSA-N	423.332	3.864	10	20	HHCD	
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCCc1ccc(O)c(O)c1	787444030	FWHIEOFNCQYRBV-UHFFFAOYSA-N	402.903	3.700	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)c(O)c1	793031099	BMJURFSONFPXEB-KZULUSFZSA-N	423.307	3.739	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1ccccc1)C1CCCC1	793630006	FQSOGIWTOYEIJC-QHCPKHFHSA-N	403.526	3.727	10	20	HHCD	
CCOc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	793827205	JZTONKMGRRYRPN-QGZVFWFLSA-N	409.530	3.520	10	20	HHCD	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2C(F)(F)F)NC(=S)N1	794778809	BOTCRDNZRITDSA-OAHLLOKOSA-N	401.454	3.516	10	20	HHCD	
Cc1ccc([C@H](NCc2cccc(Br)c2O)[C@H](C)S(C)(=O)=O)cc1	798088848	WAHMCDYQWLTTTQ-SUMWQHHRSA-N	412.349	3.727	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CCN(C4CC4)C3)cc2Cl)C1	799940009	RLXJDNIVTOGYNW-FUHWJXTLSA-N	404.986	3.860	10	20	HHCD	
Cn1cc(Oc2ccccc2C(=O)NCc2ccc(N3CCSCC3)cc2)cn1	801135273	QRAYWDWTSWEMMB-UHFFFAOYSA-N	408.527	3.696	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@H](C(C)C)CC3)CC2)cc1	804318133	AJQCXABCHZAWPM-RBUKOAKNSA-N	415.578	3.501	10	20	HHCD	
O=C(N[C@@H](c1ccccc1)C1CCC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	804683327	SPMOLEQHOUXDPY-GMAHTHKFSA-N	422.525	3.557	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1nc(C(C)(C)C)cs1	804868199	ZQQRKTXWYNZSGB-UHFFFAOYSA-N	417.575	3.634	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837682	ADFBICUVWBQVHI-LZTOIUFZSA-N	403.331	3.573	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCCC(=O)N2CCN(c3ccccc3)CC2)c1O	808686913	JDADPJRVCOCKJU-KRWDZBQOSA-N	401.938	3.744	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H]3CCc4c3ccc(OC)c4F)cc2F)CC1	808693754	OTLQSBZYXDNROJ-HXUWFJFHSA-N	401.501	3.892	10	20	HHCD	
O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1	813730134	UHWPPKBWZXVTEU-ANGAQGJPSA-N	402.491	3.551	10	20	HHCD	
COc1cc(Br)c(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1O	814185358	FFRICWOKCOKNAL-AWNIVKPZSA-N	400.319	3.917	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@H](c1ccccc1)C1CC1	814419905	CDZWDQGNTBHRQU-OAQYLSRUSA-N	411.521	3.780	10	20	HHCD	
O=C1N=C(SCCCN2C(=O)CNC2=O)S/C1=C/c1csc2ccccc12	814771668	BVTBCJGYPXQICC-RIYZIHGNSA-N	417.537	3.547	10	20	HHCD	
Cc1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)ccc1N(C)C	815113402	AGVKJLTZSJHPNZ-FQEVSTJZSA-N	413.566	3.589	10	20	HHCD	
Cc1cc(-c2nc([C@@H]3C=CC=NC3=O)no2)c(C)n1-c1ccc(Br)cn1	904753538	URUXOMGIXGIZHX-ZDUSSCGKSA-N	412.247	3.552	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1C(N)=O	914790390	MUXQTHXJKQEXFN-UHFFFAOYSA-N	421.931	3.980	10	20	HHCD	
CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccccc4C)cs3)ccc21	915222206	GBRDXEKLKQMCTD-UHFFFAOYSA-N	413.524	3.828	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cccc(CN3CCCC3=O)c2)cc1	916414128	NSRRJDDHQNKGKD-UHFFFAOYSA-N	422.573	3.997	10	20	HHCD	
CC(C)Oc1ncccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	916684666	RFDALZLPYBYVQT-HZPDHXFCSA-N	416.497	3.943	10	20	HHCD	
CC(C)COc1ccccc1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	918039002	QRSDMODHRCIZMH-IBGZPJMESA-N	424.545	3.745	10	20	HHCD	
CCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	1339376599	IKVMVPZFTFFOQC-UHFFFAOYSA-N	401.532	3.937	10	20	HHCD	
CCOc1cccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	108443408	FTFGJNKJHYZQEK-IAGOWNOFSA-N	415.509	3.837	10	20	HHCD	
CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	110562971	NZMCIEVHEOUKIU-CYFREDJKSA-N	423.557	3.604	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1	141543736	KLSLYIUONRYJKY-KRWDZBQOSA-N	408.502	3.533	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(N2CCCC2=O)c1	142956947	ALBMDFVHQLLWKU-SFHVURJKSA-N	406.530	3.974	10	20	HHCD	
O=C(c1ccc(NCc2ccc(N3CCOCC3)cc2)nc1)N1CCc2ccccc21	301274494	YUACFMLOFSVBCM-UHFFFAOYSA-N	414.509	3.733	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3cc(C(=O)OC)c(C)o3)ccc21	484890675	GDXZNKXVJWSUKN-UHFFFAOYSA-N	412.486	3.865	10	20	HHCD	
CN(C)C(=O)C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1	726240375	HPBQWWVTGGBTMN-OAQYLSRUSA-N	421.497	3.917	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)(C)c1ccccc1	728128602	BVRUOHDMALOEHZ-QUCCMNQESA-N	422.573	3.554	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C(C)C)sc3c2)c1	729061986	NERJZDHCYZYLIV-LBPRGKRZSA-N	413.499	3.950	10	20	HHCD	
CC(=O)Nc1c(C)cccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	729324426	AMLNEBVVMHOAIY-HOTGVXAUSA-N	413.493	3.636	10	20	HHCD	
COc1ccccc1C[C@H](C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	730590864	VJZHOAUSRSBSBB-KRWDZBQOSA-N	414.521	3.681	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1	731279162	VRWHVPGOOHFUEB-QFIPXVFZSA-N	411.546	3.696	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1ccc(CN2CCOCC2)cc1	731845488	AWXUTLALOUIHIA-UHFFFAOYSA-N	423.557	3.608	10	20	HHCD	
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCCSc3nccs3)C2)c1	733973472	LCULNUFVVJYUTL-KRWDZBQOSA-N	417.600	3.911	10	20	HHCD	
Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NCc2ccc(N(C)C)cc2C)c1	734407143	BYAHQTUXYHQBCN-UHFFFAOYSA-N	423.586	3.975	10	20	HHCD	
COC(=O)COc1cccc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	734440173	QZFZTZVRAABBFE-UHFFFAOYSA-N	406.482	3.884	10	20	HHCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	736197067	YUHYKQYGKOWJBO-VEXUSMLFSA-N	416.606	3.989	10	20	HHCD	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1	736653272	MBRHFKWIHADUNX-QGZVFWFLSA-N	401.938	3.949	10	20	HHCD	
COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1C	740706250	SVJHFQUJZOZVFT-UHFFFAOYSA-N	406.685	3.926	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)CCc3cccc(F)c3)cc2F)CC1	742644846	ISOSNPOZIZCEBD-SFHVURJKSA-N	415.528	3.992	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1OC(F)F	743214943	OIPRMHYSXUUBBK-UHFFFAOYSA-N	409.408	3.928	10	20	HHCD	
O=C(c1cnc(O)c(Br)c1)N(Cc1ccco1)Cc1ccccc1O	743430470	JGVQTQIGCOMEQT-UHFFFAOYSA-N	403.232	3.691	10	20	HHCD	
CC1(C)[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H]2CCCO[C@H]21	743647780	UFNSJDCJSCYSGJ-GUDVDZBRSA-N	423.504	3.760	10	20	HHCD	
COC(=O)c1ccc(OCCNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	745811191	AINFZYSEQSILBY-UHFFFAOYSA-N	413.518	3.538	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)c2C)c1	746284803	WGHNJHYDAYCKBH-SFHVURJKSA-N	407.436	3.686	10	20	HHCD	
COc1ccc(-c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)n[nH]2)cc1OC	751352579	YLVHVIAVTLNNJP-UHFFFAOYSA-N	406.486	3.624	10	20	HHCD	
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751930442	FJGNOZUYMCGRLH-LSDHHAIUSA-N	421.522	3.839	10	20	HHCD	
C[C@H](N[C@H]1CCCC[C@H]1N1CCOCC1)c1cc(Br)c(F)cc1O	756659939	QUBCEJQYMBMYQW-AFAVFJNCSA-N	401.320	3.588	10	20	HHCD	
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	757183167	VFNVXDPDNGBULX-HNAYVOBHSA-N	415.519	3.941	10	20	HHCD	
COCCn1c(-c2ccc(N3CCCCC3)cc2)nc2cc(S(C)(=O)=O)ccc21	758478894	APFMMTBZFACGKY-UHFFFAOYSA-N	413.543	3.744	10	20	HHCD	
C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N(c1nccs1)C1CCCCC1	759598664	XCWJJGAAPBKAQB-QQBNSCQMSA-N	416.499	3.865	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cc(F)ccc2Br)SC1=S	761181166	OHCATOYMLQSSKW-XYOKQWHBSA-N	418.309	3.743	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN1C(=O)CN(Cc2cccc(Br)c2)C1=O	761348966	ABPVQXNQLDPAQQ-UHFFFAOYSA-N	416.319	3.788	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@H](c2ccccc2)N(C)C)cc1	764458875	BXAOXFYLXJYWSN-DNQXCXABSA-N	409.574	3.953	10	20	HHCD	
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)NCc1cccc(Br)c1O	764805226	JJIKDKVNRJQAIT-PIGZYNQJSA-N	411.271	3.869	10	20	HHCD	
O=C(CCc1nnc(-c2ccsc2)o1)NCc1cccc(Br)c1O	765753032	MLBNSDHHUNWIKY-UHFFFAOYSA-N	408.277	3.515	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1	766248452	OHNIONPDEKNFEM-FQEVSTJZSA-N	419.472	3.946	10	20	HHCD	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(N2CCCCC2)cc1	768172908	RJPMMSQQKBCPJZ-UHFFFAOYSA-N	409.530	3.909	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(F)c(Br)c3)c2)CC1	770143117	KWLVJPZITUBCCQ-UHFFFAOYSA-N	406.299	3.982	10	20	HHCD	
C[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	773132101	TZWAMQSITKRAOP-DNVCBOLYSA-N	407.530	3.616	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(C)s2)cc1	773231630	OJIXEMQMUKTGDZ-UHFFFAOYSA-N	402.563	3.708	10	20	HHCD	
CS(=O)(=O)Nc1ccc(OCCNCc2cc(-c3ccccc3)ccc2O)cc1	773428238	YAXIAZNVXJYJFM-UHFFFAOYSA-N	412.511	3.599	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@H](c4ccc(F)cc4Cl)C3)cc2)CC1	775992639	UZYXBEROGUCJKB-QFIPXVFZSA-N	403.929	3.804	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn([C@H](C)C4CC4)c3)cc2F)C[C@@H](C)O1	779506777	CUGRODOKOMPEMK-OWCLPIDISA-N	415.513	3.929	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1	784023443	CZSFAPSKTXRZQF-UHFFFAOYSA-N	420.513	3.846	10	20	HHCD	
CC(C)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1[N+](=O)[O-]	784424064	XDUYHHLTPQXCCJ-UHFFFAOYSA-N	415.465	3.748	10	20	HHCD	
CC(C)(NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCOCC1	787159782	OHNLPMMGXIGSHS-UHFFFAOYSA-N	411.493	3.761	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)C3CCC(O)CC3)cc2F)C[C@@H](C)O1	788287860	JUCRJVFSIWZPPK-FDCMFXBMSA-N	406.542	3.633	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c(O)c1	792820524	PIOOFKQGRHKDNP-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1c(Cl)ccc2c1CCO2	797666310	MKWRLZULENVLRP-UHFFFAOYSA-N	419.884	3.697	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C1(c2cncc(Br)c2)CC1	798886310	LFGPFANWOHZKST-UHFFFAOYSA-N	400.320	3.792	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c(C)n1	800636780	NIZSAJNJWKDFHI-CQSZACIVSA-N	414.937	3.843	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1	800693548	CISKLZVBPQNBDT-UHFFFAOYSA-N	407.426	3.822	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccc(C[S@](C)=O)cc3)cc2)CC1	805091968	SZYLVCPUMUATSX-LJAQVGFWSA-N	413.587	3.801	10	20	HHCD	
CC[C@H](NCCS(=O)(=O)NCc1ccccc1)c1cc(Cl)cc(Cl)c1O	806135989	YQUGQXIQUWPUPB-KRWDZBQOSA-N	417.358	3.859	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1	806176436	LWLQQHPYDMKCLX-KKSFZXQISA-N	400.519	3.920	10	20	HHCD	
CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807290452	KELBQNJRDLDDBF-ISKFKSNPSA-N	417.553	3.755	10	20	HHCD	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O	807836585	GRXOTCIWTXEELT-ZDUSSCGKSA-N	423.362	3.962	10	20	HHCD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(Cc1cc(Br)cc(Br)c1O)C[C@@H]3C2	809697467	HGDWDNNRUHKVQO-BUEXFPSZSA-N	417.141	3.772	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1	813646687	MISDEVAPVVLMTA-AZUAARDMSA-N	416.566	3.602	10	20	HHCD	
C[C@H]1CN(C(=O)CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)CCO1	814772873	HFGGMUVMQPBQPL-WIJRQFRKSA-N	418.565	3.852	10	20	HHCD	
C[C@H](Cc1cnc2ccccc2n1)C(=O)NCc1ccc(N2CCSCC2)cc1	815046606	ZNHOPMGDVGYCOP-QGZVFWFLSA-N	406.555	3.678	10	20	HHCD	
CCCOc1cccnc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	857456970	SCQOZSFECCJAEM-HNNXBMFYSA-N	405.445	3.871	10	20	HHCD	
Cc1cc(CCNC(=O)c2ccc(=O)n(-c3ccccc3)n2)c(C)n1-c1ccccc1	914466538	HBEIFYOQXRVUGK-UHFFFAOYSA-N	412.493	3.613	10	20	HHCD	
CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	916681172	WTNZFRJLODRVIG-UHFFFAOYSA-N	424.545	3.874	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1	918438276	LLCZXZYHBFWQHY-UHFFFAOYSA-N	423.460	3.514	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3cccc(C(=O)NCc4ccco4)c3)CC2)cc1	1319496634	PZKDZUQIDKZBBA-UHFFFAOYSA-N	419.525	3.931	10	20	HHCD	
COc1cccc(N2CCC(NC(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)c1	1337928676	HDUBUOOIUPFUEG-UHFFFAOYSA-N	404.514	3.897	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(CC)c3-c3ccccc3)CC2)cc1	1339024907	QIHUXWOLTBERNZ-UHFFFAOYSA-N	404.514	3.931	10	20	HHCD	
O=C(CSc1nccn1C1CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O	11891733	SHTQULKDKVVVFV-UHFFFAOYSA-N	403.463	3.724	10	20	HHCD	
CN(c1ccc(CNC(=O)Cn2cnc3sccc3c2=O)cc1)C1CCCCC1	116030454	VVOVUVZKEGUCJB-UHFFFAOYSA-N	410.543	3.543	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccc(F)cc3I)ccc21	302971529	IODDTNORQUFLQA-UHFFFAOYSA-N	424.257	3.743	10	20	HHCD	
Cc1occc1C(=O)Nc1nc(CC(=O)NCc2c(C)c3ccccc3n2C)cs1	471230434	QVHCYJUPRCANLV-UHFFFAOYSA-N	422.510	3.956	10	20	HHCD	
C[C@@H](NC(=O)[C@](C)(CC(=O)O)C1CCCCC1)c1ccc(N2CCOCC2)cc1	726604148	HFHMFXBDZOFAFM-UZUQRXQVSA-N	402.535	3.762	10	20	HHCD	
Cc1cc(NC(=O)CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)on1	727142535	RDOSXOHUFPKJCE-YVMONPNESA-N	405.454	3.913	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1F	728237141	BYQPCJMOFDZXBP-UHFFFAOYSA-N	423.410	3.967	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3cccc(CS(C)(=O)=O)c3)cc2)CC1	731108169	OQJPJBPIEGUZSZ-UHFFFAOYSA-N	415.559	3.789	10	20	HHCD	
CCCC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)C(=O)Nc1cc(C)on1	732919597	MXXOAGYXLGALNN-FQEVSTJZSA-N	400.523	3.748	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	734523859	PCQFTMRRASFPBJ-SFHVURJKSA-N	400.592	3.834	10	20	HHCD	
Cc1csc(C(C)(C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	734941083	AEVYFYJZHANNOH-GJZGRUSLSA-N	420.554	3.939	10	20	HHCD	
CC(=O)N(Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1)C(C)C	735175078	ZOTVKMUMVYNQSY-UHFFFAOYSA-N	424.545	3.602	10	20	HHCD	
O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N(Cc1ccco1)Cc1ccccc1O	735927349	PAXNSEWMYYQGKH-UHFFFAOYSA-N	419.412	3.513	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cccc(-c4nccn4C)c3)CC2)cc1	736970972	CWODMPFDIKELIB-UHFFFAOYSA-N	405.502	3.840	10	20	HHCD	
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NCc1ccc(N2CC=CC2)cc1	741090485	HWUYTPQCGSPVDQ-HSZRJFAPSA-N	421.541	3.962	10	20	HHCD	
C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCSCC2)cc1	742553410	FUAFYFWBDHVRFX-MRXNPFEDSA-N	400.519	3.904	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2ccco2)on1	742799452	AXZDPPPDHPVINH-CYBMUJFWSA-N	403.385	3.935	10	20	HHCD	
C[C@@H](Oc1cccc(F)c1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800411	QZLZGLNGUQKAGK-GDBMZVCRSA-N	408.420	3.980	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCNc1ccccc1[N+](=O)[O-]	743808960	IGZTVDJOTMKMCH-UHFFFAOYSA-N	422.279	3.914	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)c(C)n1-c1ccccn1	744699812	BCOUFXYQOJVPFB-QGZVFWFLSA-N	411.506	3.878	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CC[S@@](C)=O)c(C)n1-c1cccc(Br)c1	746002210	BQSYPGVXVRCHDU-FNODVLLQSA-N	411.365	3.744	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)cc1)C1CCCCC1	746381943	MMCGLLROBKKEIA-UHFFFAOYSA-N	411.550	3.662	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3sccc3C)cc2F)CC1	747870123	OMMYKQQMZSHATI-ZWKOTPCHSA-N	401.551	3.757	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cccnc1Oc1ccccc1	749729927	FNAXDZQWRMEAPZ-UHFFFAOYSA-N	414.512	3.568	10	20	HHCD	
C[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC(C)(C)C1	753032555	XZORHOFTKSQINU-ZDUSSCGKSA-N	408.545	3.763	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCOC2CCOCC2)c(C)n1-c1cccc(F)c1	753526605	FULMMZRZNYSBJD-UHFFFAOYSA-N	403.450	3.545	10	20	HHCD	
Cc1cc(CC(=O)OCC2CCS(=O)(=O)CC2)c(C)n1-c1ccc(Cl)cc1	753591792	RNNIDRCAYLLILF-UHFFFAOYSA-N	409.935	3.658	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)s1	756480639	SVCUDNQKRIHTRV-WFASDCNBSA-N	412.552	3.961	10	20	HHCD	
C[C@H](NCCCc1nnc2n1CCCCC2)c1cc(Br)c(F)cc1O	756534551	JUFKEMSOLNNHGR-LBPRGKRZSA-N	411.319	3.895	10	20	HHCD	
COc1ccc([C@@H]2CCCN2C(=O)CN(C)c2ccc(OC)c(F)c2)c(OC)c1	757856742	GHFPUFUMPRJPJN-IBGZPJMESA-N	402.466	3.651	10	20	HHCD	
COc1cc(Cl)cc(CNCc2cc(Br)c3c(c2)OCCO3)c1O	761197987	JWKDBNUHDRBZMZ-UHFFFAOYSA-N	414.683	3.878	10	20	HHCD	
CCOc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	765319893	MEJRDCOUKBAWLV-UHFFFAOYSA-N	424.423	3.657	10	20	HHCD	
OC[C@@H](NCc1cc(Br)ccc1O)c1ccc(Br)cc1	767425758	MTKOUWYUXHJCPP-CQSZACIVSA-N	401.098	3.740	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@H]3c4ccccc4CC[C@H]3n3ccnc3)ccc21	769089654	ZXEOBZKETBWSHY-RPWUZVMVSA-N	415.541	3.994	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(C)nc1-c1cccnc1	769291292	LSKQMQVYTNMORW-UHFFFAOYSA-N	415.291	3.613	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1	769317891	SRTVVCRPWKECBD-QUCCMNQESA-N	401.576	3.653	10	20	HHCD	
COc1ccccc1N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769706344	RDMMXDPPZLQLFB-UHFFFAOYSA-N	418.496	3.540	10	20	HHCD	
COc1ccc(SCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	771056781	GTPLMRVBNLDMOU-QGZVFWFLSA-N	420.962	3.927	10	20	HHCD	
CN(C)c1ccc(CCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	771060691	YCGBDOVJKKTCGP-FQEVSTJZSA-N	415.965	3.825	10	20	HHCD	
Cc1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc([N+](=O)[O-])c1F	771761245	DOGOLLSSKILQON-UHFFFAOYSA-N	408.451	3.881	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(OC(F)F)c(F)c1	771922387	UJHGFOJYPCSOEQ-UHFFFAOYSA-N	400.740	3.755	10	20	HHCD	
C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772117936	NCUVYFVWHROONG-OAHLLOKOSA-N	402.520	3.673	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCS(=O)(=O)c4ccccc4C3)c2C)c1	773414663	NTHUKRIXJMQXHC-UHFFFAOYSA-N	408.523	3.832	10	20	HHCD	
CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	775402445	BBBOUBJKKGIFDO-HXOBKFHXSA-N	420.557	3.795	10	20	HHCD	
COc1cccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775407779	WKJZGQQBLIMYPV-MRXNPFEDSA-N	410.543	3.916	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N=c1cc[nH]cc1I	778509066	PNQVXTZJYUBQQG-UHFFFAOYSA-N	423.279	3.829	10	20	HHCD	
COc1ccc(N2CCN(Cc3c(C(F)(F)F)nn(C)c3Cl)CC2)cc1F	782153927	OTLMWOMKPQPSDX-UHFFFAOYSA-N	406.811	3.562	10	20	HHCD	
CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783315423	CXXITBQEYFZNTK-SFHVURJKSA-N	413.566	3.932	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)ccc1OC(F)F	783316223	JYWSMQMRQDKFRS-UHFFFAOYSA-N	423.435	3.869	10	20	HHCD	
CCc1nc(COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cs1	785407029	CBPIKHDTWCBJDB-UHFFFAOYSA-N	424.525	3.630	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(O[C@@H]2CCOC2)cc1	788741288	HJLYPHYUOKHSTG-XMMPIXPASA-N	421.541	3.639	10	20	HHCD	
CN(C)c1ccc(CNCc2cccc(C(=O)N3CCOCC3)c2)c(C(F)(F)F)c1	792933316	XTCDAULWUFQCAA-UHFFFAOYSA-N	421.463	3.534	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC2(CCC2)[C@H]1C1CC1	793426128	ATCNBTHUUNBWTN-GOSISDBHSA-N	418.540	3.659	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1O	793606977	XPDUMJBQRGOPRZ-UHFFFAOYSA-N	421.494	3.532	10	20	HHCD	
COCCS(=O)(=O)CCCNc1ccc(Cl)cc1C(=O)c1ccccc1F	799967159	HGIUJHOGCPBAEZ-UHFFFAOYSA-N	413.898	3.573	10	20	HHCD	
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)CC(=O)Nc1ccccc1	800533576	BHJASUFTLHDNGZ-OAHLLOKOSA-N	401.463	3.938	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc4nnc(C(C)C)n4c3)CC2)cc1	801743227	LTHZNEBBJUWUGH-UHFFFAOYSA-N	408.506	3.606	10	20	HHCD	
Cc1cc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC(C)C)c(C)n1-c1ccccc1	802673037	BUIVPFRXGJBTRF-LJQANCHMSA-N	420.561	3.710	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCOC2)cc1	802761584	QVERQDICLPXDRI-FQEVSTJZSA-N	420.561	3.859	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccccc1OCC1CC1	806352726	YZEAPRGKHYQTHK-UHFFFAOYSA-N	423.557	3.595	10	20	HHCD	
C[C@H](NC(=O)Nc1cc(F)c(N2CCOCC2)cc1F)c1ccc(N(C)C)cc1	806742418	IRQAFWKMZPQRBZ-AWEZNQCLSA-N	404.461	3.750	10	20	HHCD	
COC[C@@H](c1cccc(Cl)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	809187099	ZPAKUCVACVORJE-INIZCTEOSA-N	409.269	3.851	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1	809367484	KXFJZNAVBIMFLB-GOSISDBHSA-N	409.530	3.608	10	20	HHCD	
Cn1nc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1C1CC1	810277338	ODPPQMLVZHSQNO-AWEZNQCLSA-N	405.449	3.689	10	20	HHCD	
COc1ccc(CCN2C(=O)/C(=C/c3cn(C)nc3C(F)F)SC2=S)cc1	812219863	RGLWPXBOQXZHQN-ZROIWOOFSA-N	409.483	3.810	10	20	HHCD	
CC(C)Oc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccn1	857471843	CDHWDLTUDKPCIA-GOSISDBHSA-N	403.910	3.622	10	20	HHCD	
Cc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(C(=O)O)c1F	871793069	ZLODGBLTPRJAHH-UHFFFAOYSA-N	420.506	3.643	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1	916088824	MPALKIFMCHSCFI-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	917361377	HJWVCTDLCBWJOO-HNNXBMFYSA-N	412.873	3.986	10	20	HHCD	
Cc1ccc2ncccc2c1S(=O)(=O)NCc1ccc(N2CCSCC2)cc1	917911603	IVXSHAOWFUCCSZ-UHFFFAOYSA-N	413.568	3.575	10	20	HHCD	
CN1CCN(c2ccccc2NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	918029201	JEQSHVNNLXBSBZ-UHFFFAOYSA-N	407.562	3.701	10	20	HHCD	
CC(=O)Nc1c(C)ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C	918048152	NWRMEUGIWLFPHG-UHFFFAOYSA-N	424.545	3.792	10	20	HHCD	
C[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC(C)(C)O1	920887365	IZLPTINVGZTAOK-QQFZQELXSA-N	424.613	3.755	10	20	HHCD	
CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(N2CCN(C)CC2)c(F)c1	1252172603	MAXLFHSKOOINDZ-OAQYLSRUSA-N	402.558	3.511	10	20	HHCD	
COc1ccc(CCC(=O)N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)cc1	1319700434	NKKGJXSEUMFQKF-UHFFFAOYSA-N	407.558	3.572	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1COc2ccc(F)cc2C1	1328595279	RKAPCKAFAQBZEH-NVXWUHKLSA-N	420.431	3.763	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)cc1	65435470	AUDZQTQGCMYNOD-OAHLLOKOSA-N	405.445	3.685	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c1C	71923807	CWVWZLJTKQHFGA-KRWDZBQOSA-N	411.531	3.543	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2=NO[C@@H](c3ccccc3)C2)cc1	116539403	BVOPTYKQPYNTHV-JTHBVZDNSA-N	407.514	3.778	10	20	HHCD	
Cc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1-n1cncn1	237767688	GRXDZXROHJEMKF-SFHVURJKSA-N	413.472	3.936	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c1C	248237139	FCCQRJVLEBCCOD-MRXNPFEDSA-N	411.527	3.541	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccccc1OC(F)F	302833183	LSYUNRVZRPPUDA-INIZCTEOSA-N	406.429	3.613	10	20	HHCD	
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	303066764	ZVAIXPLOFPIFTM-JLTOFOAXSA-N	415.559	3.533	10	20	HHCD	
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2c(C)c3ccccc3n2C)C1	471821432	KMEJXLGENFUOHQ-SFHVURJKSA-N	406.530	3.821	10	20	HHCD	
CSc1cccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)c1[N+](=O)[O-]	486239461	ANDOMUPCRSWFPM-UHFFFAOYSA-N	413.480	3.785	10	20	HHCD	
COc1ccc(N(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C(C)C)cc1F	725816427	UTKUDPQXAGWEOK-UHFFFAOYSA-N	421.900	3.766	10	20	HHCD	
COc1ccc(CC[C@H](C)NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	726614874	VVBLKKFYXRROIX-SFHVURJKSA-N	411.546	3.993	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@H](c2cccc(F)c2)C1	729597921	UPGMOSNHTYRVEU-SFHVURJKSA-N	415.484	3.625	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2F)CC1	730193325	GBZOJKYYHIJHLG-IAGOWNOFSA-N	415.475	3.953	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(-c4ccccc4)on3)cc2F)CC1	730194242	CKFWUPNULMZTMW-UHFFFAOYSA-N	408.477	3.553	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c1	730902431	HPJKADJLFVTYTL-XJKSGUPXSA-N	404.438	3.980	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCc3ccc4c(c3)OCCO4)cc2)CC1	731049870	STLPRINODMRWSC-UHFFFAOYSA-N	409.530	3.736	10	20	HHCD	
Cc1ncsc1CN(C)[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	731214453	PHQVACMYTNANNL-CQSZACIVSA-N	419.506	3.686	10	20	HHCD	
CCCCN1CCCC[C@@H]1CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	731222281	CMVHTGCYVHRPFD-OAQYLSRUSA-N	402.583	3.618	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCNC(=O)c2c(F)cccc2F)c1C	732967230	LJGZMXFUHYHTBP-UHFFFAOYSA-N	411.452	3.841	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)cc1	733368801	UBAOHHZWOBJAAI-UHFFFAOYSA-N	404.392	3.593	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	740919673	GVLXLABPCJYTMA-XLIONFOSSA-N	414.550	3.508	10	20	HHCD	
Cc1cc2c(cc1C)O[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C2	742602825	ZQJGYXFRQMRGJG-LADGPHEKSA-N	408.542	3.881	10	20	HHCD	
O=C(Nc1cnn(Cc2ccccc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	746032185	XGMUIBBRADMVBP-OAQYLSRUSA-N	406.486	3.850	10	20	HHCD	
O=C(CSCc1cscn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746858560	MRKZVILFIPAKRO-CYBMUJFWSA-N	413.515	3.763	10	20	HHCD	
COc1ccc(Br)c(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1	747860198	NYDDPXXJFZELPB-UHFFFAOYSA-N	411.321	3.859	10	20	HHCD	
O=C(NCc1ccccc1O)c1ccc(NC(=O)c2ccc(Br)o2)cc1	748345965	SSDQIYRAAHAGGC-UHFFFAOYSA-N	415.243	3.930	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@H]21	753587910	FJLKBGUZAJUSNN-CEMLEFRQSA-N	415.578	3.648	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CC2)cc1F	753731523	POBAEIMANQNHOR-UHFFFAOYSA-N	401.869	3.860	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	754484850	YNYCDAQYQORFFF-SCLBCKFNSA-N	405.926	3.925	10	20	HHCD	
COc1ccc2c(c1)C=C(C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)CO2	755258584	APKZPJBKPHEOSB-HSZRJFAPSA-N	422.525	3.745	10	20	HHCD	
COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1	755737077	NVFXRKHQYGSLRC-UHFFFAOYSA-N	415.905	3.507	10	20	HHCD	
CCc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc(Br)cc3O)C2)ncn1	756713029	UMVDIHJEYJPCSU-XJKSGUPXSA-N	405.340	3.827	10	20	HHCD	
C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H](c2ccsc2)O1	759730215	ISQYWRKLSCFZGA-LZJOCLMNSA-N	415.559	3.817	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc([C@@H]4CCOC4)c3)cc2F)C[C@@H](C)O1	761358479	HJSKNTCTQPQUOM-LLGFUMIMSA-N	412.505	3.873	10	20	HHCD	
COc1cc(Br)cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1	762000296	NJSGOSSUGVRNDS-UHFFFAOYSA-N	416.293	3.751	10	20	HHCD	
CCCSc1nsc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	762950899	FAOUBXFNLQDSNR-CQSZACIVSA-N	408.549	3.959	10	20	HHCD	
Cc1ccc(-n2nnc([C@H](C)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2C)cc1	765288660	ZZDUEYSXKSCPHT-KRWDZBQOSA-N	423.536	3.835	10	20	HHCD	
C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(N2CCCCC2)cc1	765660097	SOJJYRDPFZOQRO-FQEVSTJZSA-N	408.590	3.819	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccc(Cl)cc1Cl	765904365	SAYYSOSSFOIKDL-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
Cc1nn2c(CN[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c(C)nc2s1	766470973	RLYIFTITWSABOT-MRXNPFEDSA-N	405.955	3.521	10	20	HHCD	
CCCn1c(/C(Cl)=C\c2cncs2)nc2cc(S(=O)(=O)N(C)C)ccc21	767723586	XWTBRJIAYMLNJM-RIYZIHGNSA-N	410.952	3.890	10	20	HHCD	
COc1cc(OC)cc(N2CCCN(Cc3cc(Br)ccc3O)CC2)c1	769532204	HSRHVNOCIRPEKK-UHFFFAOYSA-N	421.335	3.884	10	20	HHCD	
CCOC(=O)CC[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1	770381193	JLMNCZLHMCDXNY-ZDUSSCGKSA-N	400.313	3.719	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCN2CCC(N(C)C)CC2)cc1	772708192	NKVUTULPWDXZOH-UHFFFAOYSA-N	422.577	3.924	10	20	HHCD	
C[C@H](C(=O)N1CCCCC1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	772755443	PZBDNYYMPYVEDS-QGZVFWFLSA-N	401.551	3.865	10	20	HHCD	
Cc1ccoc1C(=O)NCCCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl	773007314	QADACLYQEAXJRZ-INIZCTEOSA-N	405.926	3.549	10	20	HHCD	
CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NCc1ccccc1O	773492672	QMBMWCLXONXRIU-GOSISDBHSA-N	421.335	3.992	10	20	HHCD	
CCn1cc(CN(C)Cc2cc(Br)cc(Br)c2O)cn1	775700329	NMRWPOCXBSYWOJ-UHFFFAOYSA-N	403.118	3.766	10	20	HHCD	
C[C@@H](NC(=O)NC(C)(C)CCN1CCCCCC1)c1ccc(N2CCOCC2)cc1	776119468	HEERLFQUBAIKSP-HXUWFJFHSA-N	416.610	3.928	10	20	HHCD	
CC(C)(C)C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F	778620636	PJTGMLCFZBQYOV-INIZCTEOSA-N	405.436	3.829	10	20	HHCD	
O=C(CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)NCC(F)(F)F	781007878	ZFJZBFJPHWZWSB-UHFFFAOYSA-N	422.363	3.652	10	20	HHCD	
O=C(OCc1nnc(C2CC2)n1C1CC1)c1cccc2c1C(=O)c1ccccc1C2=O	783095423	JYGKDVXXYOZTIQ-UHFFFAOYSA-N	413.433	3.623	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(F)c1C	785191457	BBMNRCLTEHQALP-UHFFFAOYSA-N	409.255	3.589	10	20	HHCD	
CSC1(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCC1	787244663	WIBHQTVWUFVYJK-ZDUSSCGKSA-N	423.490	3.618	10	20	HHCD	
CCCCC[C@H](NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1	788332482	NQRWABRIVUAODJ-QHCPKHFHSA-N	423.557	3.577	10	20	HHCD	
O=C(CC1CCC2(CC1)OCCO2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	788435922	PGGIXDCZTXRCGK-UHFFFAOYSA-N	405.450	3.724	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1	790023303	OYGXECQAUQVFFU-LBPRGKRZSA-N	400.381	3.924	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)O)cc1OC(F)(F)F	792702573	WCWFNDHHQIRUFN-UHFFFAOYSA-N	423.390	3.512	10	20	HHCD	
COc1cc(NCc2cc(Br)cc(OC)c2O)cc(-n2cccn2)c1	793269255	MKNYPTQEGRWARW-UHFFFAOYSA-N	404.264	3.970	10	20	HHCD	
CN1Cc2cc(-c3csc(NS(=O)(=O)c4ccccc4)n3)ccc2NC1=O	799186881	IXAFOOMIHVWGQG-UHFFFAOYSA-N	400.485	3.588	10	20	HHCD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800571951	QTULVNVOYXIIMY-UZLBHIALSA-N	420.985	3.775	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)s2)cn1	800791690	UATNOHSTDRHIMW-DHDCSXOGSA-N	421.569	3.995	10	20	HHCD	
Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)cc1	800902947	GTSXSIPNSDYCSC-FQEVSTJZSA-N	423.561	3.804	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCN(CC(F)(F)F)CC1	805013966	LMBHSBISWJNRJS-UHFFFAOYSA-N	400.228	3.525	10	20	HHCD	
C[C@H](CCOCc1ccccc1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	806542696	WFEKPALPVURYCZ-WOJBJXKFSA-N	411.546	3.879	10	20	HHCD	
Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	807287632	LMNFKIYNEUHBCD-BJKOFHAPSA-N	417.553	3.782	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl	808421463	IBUWKNZXMHWEGB-UHFFFAOYSA-N	422.356	3.767	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1ccc(-c2ccccc2)cc1	809284345	OIZHKPXDZJJODW-UHFFFAOYSA-N	415.537	3.737	10	20	HHCD	
O=C(Nc1cccc(C2CCC2)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	812957265	HOZAIOOVHMDTNG-NRFANRHFSA-N	408.498	3.806	10	20	HHCD	
CN(c1ccccc1)c1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ncn1	814360864	JVBYPHUMRIOFHY-LJQANCHMSA-N	416.529	3.558	10	20	HHCD	
Cc1cc(C(=O)NCCCc2nnc(S)n2C)c(C)n1-c1ccc(Cl)cc1	818238294	WUJOHRIHFDGHOL-UHFFFAOYSA-N	403.939	3.527	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3nc4c(s3)CCC4)cc2F)C[C@H](C)O1	916671870	WINANXKWAJSQBN-STQMWFEESA-N	404.511	3.706	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccccc3N3CCCCC3)cc2)C1	917394299	IGLMLZDAXRGTLE-QFIPXVFZSA-N	406.574	3.668	10	20	HHCD	
Cc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	918117077	GHDAUCCHDLSAHN-GMAHTHKFSA-N	420.557	3.743	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1	918369019	FWUTYMBTWYZCSY-UHFFFAOYSA-N	404.514	3.850	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(C)n1-c1ccccn1	920291761	CKPZRTXCQBLCSM-NRFANRHFSA-N	418.497	3.537	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C(F)(F)c3ccc(F)cc3)cc2F)C[C@@H](C)O1	920844312	UISJEIBAZPAGOO-OKILXGFUSA-N	410.411	3.987	10	20	HHCD	
O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2c(O)ccc3ccncc23)CC1	921050912	WDUMEUUGIQZTRU-UHFFFAOYSA-N	415.415	3.917	10	20	HHCD	
CCCN(Cc1nc(O)c2sccc2n1)C(=O)NCCCSc1nccs1	1319280884	YYBPSLNDMDKSCT-UHFFFAOYSA-N	423.589	3.957	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(-c4ccccn4)c3C(C)C)CC2)cc1	1320393199	AEBZEUMAIZCREK-UHFFFAOYSA-N	419.529	3.752	10	20	HHCD	
COc1cc(Br)c(OC)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1	1337638310	KJRQHNUOKYIZJJ-UHFFFAOYSA-N	421.291	3.555	10	20	HHCD	
CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(N2CCCC2)cc1	1341539145	WLTKHVOFOZZBOU-UHFFFAOYSA-N	422.573	3.584	10	20	HHCD	
CC(C)C[C@@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1	15571966	DZAZUXSNEDJSLV-XMMPIXPASA-N	409.574	3.859	10	20	HHCD	
O=C(NC1CC1)c1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc2ccccc12	301104544	RZFWFHIOTOTAKH-UHFFFAOYSA-N	420.488	3.715	10	20	HHCD	
CCOc1ccc([C@H]2CCCN2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	302758232	NGONXGMXUCMHPU-XMMPIXPASA-N	423.557	3.580	10	20	HHCD	
COc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1OC(C)C	472784442	HLGYQYIECZBAHR-UHFFFAOYSA-N	409.486	3.537	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)n(C)c2ccccc12	472804777	NLVZAVPHTDPTNV-UHFFFAOYSA-N	419.403	3.683	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(CCOC(C)C)CC3)ccc21	474870900	DMVCHTOMXITWAA-UHFFFAOYSA-N	415.578	3.524	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)nc1)N(Cc1ccco1)Cc1ccccc1O	726093359	HFGXEMDVCPADSC-UHFFFAOYSA-N	406.486	3.892	10	20	HHCD	
CN(CCCNC(=S)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	726444219	MGBQLPHEBKKAPT-NRFANRHFSA-N	413.587	3.774	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1[N+](=O)[O-]	726565485	PPVVBWYRIAUSBX-UHFFFAOYSA-N	405.401	3.903	10	20	HHCD	
Oc1ccccc1CN(C[C@H]1CCCO1)C(=S)Nc1ccc2c(c1)OCCCO2	727271208	SWADBWBIGFXZQR-GOSISDBHSA-N	414.527	3.932	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c1	728978121	MSVUENOPCKRUNQ-WDEREUQCSA-N	412.255	3.947	10	20	HHCD	
Cc1ccc(N=Nc2cc(C)ccc2NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1	731955639	QOERTMDARAVPHD-UHFFFAOYSA-N	401.430	3.742	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCc3ccc(O)cc3)cc2F)C[C@@H](C)O1	735758519	KVCMTJRKSGYHOG-CALCHBBNSA-N	415.509	3.577	10	20	HHCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1	735918176	JTFGTGWGPBVDQJ-UHFFFAOYSA-N	416.450	3.980	10	20	HHCD	
O=S(=O)(CC1CCCCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	739962937	RCHIETCFGXWSDK-SFHVURJKSA-N	400.972	3.510	10	20	HHCD	
C[C@H](CNCc1ccc(N2CCOCC2)cc1)Oc1cccc(Br)c1	742386245	DDJKTAZXXQNXER-MRXNPFEDSA-N	405.336	3.843	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)cc1F	742652847	BKQYPENWXJWTMP-UHFFFAOYSA-N	417.481	3.578	10	20	HHCD	
O=C(CCNC(=O)c1ccc2ccccc2c1)NCc1c(O)ccc2c1CCCC2	743718523	FMWFWCZNDUUOSQ-UHFFFAOYSA-N	402.494	3.861	10	20	HHCD	
CNC(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1	745372174	YYDQAQAFUNQJLS-UHFFFAOYSA-N	404.466	3.802	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCC(C)(C)c2ccccc2Br)c1	746330961	JQNFVURBBLWCPJ-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
CCOC(=O)c1sc2nc(CN(C)C)nc(NCc3ccccc3O)c2c1C	748306175	BMUCYIWGJLTFHZ-UHFFFAOYSA-N	400.504	3.556	10	20	HHCD	
COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1	750719840	DXYNNORJSWXZPF-UHFFFAOYSA-N	419.319	3.567	10	20	HHCD	
Cc1nc(-c2ncccn2)sc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751303547	XZMDAPCPJJJLJI-UHFFFAOYSA-N	413.466	3.871	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3nc2O)cc1	751405276	KLLTWUSGTFWBPG-HXUWFJFHSA-N	405.498	3.828	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC(OC[C@@H]4CCCO4)CC3)cc2)CC1	751610159	UMCDZOXITBEZAS-QHCPKHFHSA-N	415.578	3.793	10	20	HHCD	
CCc1ccccc1-n1cc(O)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	752795069	APEWARSIBLUXDU-IBGZPJMESA-N	421.497	3.667	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1C	753704908	LCDPIFPUNFLFTQ-SFTDATJTSA-N	400.544	3.584	10	20	HHCD	
Cc1cc(C(=O)NCCNc2ccc(-c3ccccc3)nn2)c(C)n1-c1ccccn1	754411177	LGXBJOIDYMVANQ-UHFFFAOYSA-N	412.497	3.788	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CCC(O)CC1)c1ccc(Br)cc1O	756635845	UFBIKKMLJRNNHK-HNNXBMFYSA-N	419.363	3.962	10	20	HHCD	
C[C@@H](NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756688058	XRXGDPSEAOZNIR-KUHUBIRLSA-N	405.882	3.678	10	20	HHCD	
C[C@H](NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1cc(F)ccc1O	756774924	FEMXJIDKYPEUTP-AWEZNQCLSA-N	410.486	3.564	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1	759695122	PXAQRYRDOAVFCJ-VSUDMRMVSA-N	416.493	3.674	10	20	HHCD	
CC[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	760657467	PCXOBXRHYFCKEL-GUTXKFCHSA-N	405.436	3.970	10	20	HHCD	
CCCOc1cccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1	761219343	NVKMSRJJBSEWRC-UHFFFAOYSA-N	400.519	3.823	10	20	HHCD	
COc1ccc(C)nc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	765298073	UXWJSQDJGZDKHD-CQSZACIVSA-N	406.433	3.791	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(=O)n(-c2ccccc2F)n1	765554635	OYFDSFKXYFQTMI-UHFFFAOYSA-N	420.488	3.634	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC([C@H](O)C(F)(F)F)CC3)cc2)CC1	765769371	SELODINBNWNZKF-IBGZPJMESA-N	413.484	3.768	10	20	HHCD	
COC1CCN(C2(CN[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)CCCC2)CC1	765859496	LIMBBCUWXBLYGO-IBGZPJMESA-N	419.585	3.737	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC2(CCCC2)C1	767052272	RCTUFPKEZUQLEK-MRXNPFEDSA-N	409.477	3.611	10	20	HHCD	
COCCOc1ccccc1N1CCN(Cc2cc(Br)ccc2O)CC1	769514285	IRCZQTIGUBHGOZ-UHFFFAOYSA-N	421.335	3.502	10	20	HHCD	
Cn1cnc2cc(NCc3ccc(OCCN4CCOCC4)c(Cl)c3)ccc21	770588912	ONSNLLPKZDIETM-UHFFFAOYSA-N	400.910	3.550	10	20	HHCD	
Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1ccc(N2CCN(C)CC2)cc1)N3	771521988	XSQCNNOAKIJLSC-FQEVSTJZSA-N	407.543	3.519	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC([C@H](O)c4nccn4C)CC3)c2C)c1	772569398	BYXOPVHCDZBIPX-QFIPXVFZSA-N	406.530	3.722	10	20	HHCD	
COCC[C@]1(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CCOC1	772719935	BBGNEOTZMIRYTQ-FQEVSTJZSA-N	421.335	3.782	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)c(C)n1-c1ccc(F)cc1	772776832	FQAPCMIOQXBVSK-FQEVSTJZSA-N	408.477	3.844	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)Nc1ccnn1C(C)C	772797575	GHLRNRWXVUAJHS-CYBMUJFWSA-N	409.328	3.781	10	20	HHCD	
COC(=O)COc1ccc(CN(C)C(=O)c2sccc2-n2c(C)ccc2C)cc1	774388997	BQICWNRZWZRDCB-UHFFFAOYSA-N	412.511	3.980	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1	775364883	RUPYQOIECUZUJI-MRXNPFEDSA-N	404.466	3.921	10	20	HHCD	
COCC1=CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1	775390346	IVBNWZCFRIHDAK-VBKFSLOCSA-N	422.597	3.535	10	20	HHCD	
COC1(C)CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	775560902	FFIRXVUGJYFRAK-FYWRMAATSA-N	424.613	3.757	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1OC	776175701	WPOWHMYHGPXHOF-QGZVFWFLSA-N	410.436	3.792	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(F)cc1Br	777091884	ISIWGIDBZJBADT-UHFFFAOYSA-N	421.310	3.626	10	20	HHCD	
O=C1N[C@@H](c2ccccc2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	777666918	KCCPXQIGFKBYHU-AEFFLSMTSA-N	401.413	3.550	10	20	HHCD	
COCC(=O)N1CCc2cc(NC(=O)c3sccc3-n3c(C)ccc3C)ccc21	779094547	CLEHHEWLNVDPKV-UHFFFAOYSA-N	409.511	3.943	10	20	HHCD	
Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnc1Br	783106821	JNDPVDXCOIKUCP-UHFFFAOYSA-N	419.323	3.653	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)ccc1Br	784025961	PICYZDUWGBLNQC-UHFFFAOYSA-N	405.292	3.840	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccc(CC(C)C)cc3)cc2)CC1	786256654	IVMNPYGSMFEODH-UHFFFAOYSA-N	421.585	3.803	10	20	HHCD	
CC[C@@H](CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccc(OC)cc1	786257127	NCCVZSNLZNSSDL-NRFANRHFSA-N	423.557	3.564	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)c1O	787810320	VQVQIPYWYPZQRE-UHFFFAOYSA-N	412.895	3.558	10	20	HHCD	
O=S(=O)(Cc1ccc(Cl)c(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	790022136	LCKVXALJFQPVHO-INIZCTEOSA-N	413.898	3.696	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)cc2)CC1	792073971	FWKJRCRMSMQRER-KRWDZBQOSA-N	404.555	3.635	10	20	HHCD	
Oc1ccc(Cl)c(F)c1CN1CCN(Cc2nc(-c3cccs3)no2)CC1	792156634	IBKKJBHJVUWRKO-UHFFFAOYSA-N	408.886	3.614	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c1	794301738	PTQDJSSYFWGRAY-UHFFFAOYSA-N	420.444	3.850	10	20	HHCD	
Cc1c(CO)cc([N+](=O)[O-])c(N(C)Cc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-]	796460031	URVZMLFJTPWEIP-UHFFFAOYSA-N	414.462	3.930	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1	800635942	BWOLCUPWIFNJQR-CQSZACIVSA-N	400.910	3.535	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCc1ccncc1	803272692	CEZSQJKQDUSETF-RVDMUPIBSA-N	404.538	3.868	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](c2ncccc2C)C(C)C)cc1	805871152	CEGJALGCONPGHA-NRFANRHFSA-N	410.562	3.708	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)cc1	806170138	OSKVJXYAPFIECM-VGSWGCGISA-N	411.546	3.612	10	20	HHCD	
C[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)c1cc(Br)ccc1O	806660218	TULZMOLDEXAVJR-ZIAGYGMSSA-N	407.308	3.816	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C(F)F)sc3c2)c1	806885522	GRKFNSWLBJECFO-SECBINFHSA-N	421.425	3.764	10	20	HHCD	
O=C([C@H]1CCN(Cc2c(O)ccc3cc(Br)ccc23)C1)N1CCCC1	808207086	MZCUVRRXKDCRAC-HNNXBMFYSA-N	403.320	3.752	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)CCc2ccccc2Br)cc1	812491049	OSXAYBACKFDCLH-UHFFFAOYSA-N	411.365	3.519	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(C(C)(F)F)cc1	814463203	QLLLGTUKQHVTAX-UHFFFAOYSA-N	403.473	3.977	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCNCc2cc(Cl)c(F)cc2O)s1	816547600	BPHKRGHODXJYAF-UHFFFAOYSA-N	420.959	3.609	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1O	817658177	WYVFMMTYNCHWIV-IAGOWNOFSA-N	418.534	3.906	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCC(NC(=O)C(C)C)CC2)c(C)n1-c1ccccc1	916221553	ZOOLUKBSYXAUBD-UHFFFAOYSA-N	410.562	3.583	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3ccnn3C3CCCC3)sc2n1	916525551	GDBQKHOBYGGUKK-UHFFFAOYSA-N	413.503	3.602	10	20	HHCD	
Cc1cc(C(=O)CN2CCCN(C)CC2)c(C)n1-c1ccc(Br)cc1	916645213	XKVDEVPLZLUTNK-UHFFFAOYSA-N	404.352	3.677	10	20	HHCD	
Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	917833310	NJCDAWSFXOYQOE-FQEVSTJZSA-N	423.557	3.515	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)c1C	918564554	BFGHUIARJNNAOC-UHFFFAOYSA-N	402.454	3.711	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(N3CCCCC3)c2)C2CC2)cc1	920193199	MHRJPJCMMSGZNL-UHFFFAOYSA-N	420.557	3.873	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)Cc3nc(-c4ccccc4)oc3C)CC2)cc1	1116348064	KZWWJZJOZHTHLQ-UHFFFAOYSA-N	405.498	3.940	10	20	HHCD	
Cc1c(C(=O)Nc2c(Cl)ccc3nonc23)nnn1-c1ccc(F)c(Cl)c1	1323416989	GNSXTEPVBBFKGF-UHFFFAOYSA-N	407.192	3.810	10	20	HHCD	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	10906504	ATQIZQCBFPXGIT-UHFFFAOYSA-N	424.932	3.943	10	20	HHCD	
CC(=O)N[C@@H](C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C)C1CCCC1	12838568	LJYXMQYJIIOYAG-JOCHJYFZSA-N	414.477	3.654	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)sc2n1	14152228	MEHROPMLIOFJLW-JTQLQIEISA-N	405.426	3.958	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1	29710220	ZGUGUUNAYGWVCS-UHFFFAOYSA-N	416.525	3.658	10	20	HHCD	
Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2)n1	303024262	RSJYEWIKOILFMJ-UHFFFAOYSA-N	422.504	3.519	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1cccc(C(F)(F)F)c1	608259153	ZPDBKKDZPVBDGF-UHFFFAOYSA-N	400.422	3.500	10	20	HHCD	
CN1CCN([C@H](CNCc2cc(Cl)cc(Cl)c2O)c2cccs2)CC1	725841383	CXVOZAXRVXBXJU-MRXNPFEDSA-N	400.375	3.839	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(NC(=O)C(C)C)cc3)CC2)cc1	726608805	DCJJJDGQNGBFHK-UHFFFAOYSA-N	424.545	3.758	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2)cc1	726699280	YHXAKGMHCGAWDY-UHFFFAOYSA-N	408.502	3.834	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc(OC)c(Br)c2)c1	728977847	FLSLIVNFNKZIML-GFCCVEGCSA-N	408.292	3.982	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1	730824013	SWHJLYFRVQNDAY-LJQANCHMSA-N	404.555	3.732	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1	734061618	DTJJVBRNYGPOQY-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1cccc(-c2nnc3n2CCC3)c1	734513194	VCNGRJPOBFSCOV-UHFFFAOYSA-N	400.533	3.652	10	20	HHCD	
O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1	734947710	YFJCPAXTBDLUOX-FRQCXROJSA-N	402.441	3.917	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1	741271516	VBMHCZDNSJKDCA-HYBUGGRVSA-N	424.589	3.622	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	742476321	WAHPUPTUSCBLHB-NRFANRHFSA-N	423.532	3.985	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799536	LECLIOOPWDMGQM-GDBMZVCRSA-N	408.420	3.980	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1	743046762	QNXOXCVQHBPDFZ-UHFFFAOYSA-N	405.476	3.733	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c1	743410365	LGRCGESDISSRFO-UHFFFAOYSA-N	403.788	3.586	10	20	HHCD	
COC(=O)[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1F	743484853	IHHXODYNWZDZNU-IFXJQAMLSA-N	408.420	3.900	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(C(F)(F)F)CC3)cc2F)C[C@@H](C)O1	743555276	UVVODPJBMOZYMN-ZIAGYGMSSA-N	417.447	3.923	10	20	HHCD	
C[C@H](OC(=O)[C@@H](C)c1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	745131335	FBWOFELHGGKMAB-KBPBESRZSA-N	417.417	3.729	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1cccc2ccccc12	746221394	DYAPGAVGNOWFRK-UHFFFAOYSA-N	407.489	3.939	10	20	HHCD	
O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCOCC12CCC2	749033484	PTXRLDKNZGHOQU-QINSGFPZSA-N	422.597	3.511	10	20	HHCD	
CC1(O)CCC(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	749446568	IYCNLOIYACZXMJ-NTCAYCPXSA-N	424.613	3.539	10	20	HHCD	
COC(=O)c1ccc(F)c(COC(=O)c2csc(Cc3ccc(N)cc3)n2)c1	751936120	HOZUFUBJKVMZBD-UHFFFAOYSA-N	400.431	3.599	10	20	HHCD	
Cc1cc(Cl)c(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1Cl	752401529	VCQFEVMBVOROFM-UHFFFAOYSA-N	406.313	3.939	10	20	HHCD	
CCOc1ccccc1C(F)(F)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	753407538	WSGWGZKIBIMPNL-UHFFFAOYSA-N	404.457	3.672	10	20	HHCD	
Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754553979	VNZYEPYYYUVYGQ-UHFFFAOYSA-N	409.392	3.852	10	20	HHCD	
O=S(=O)(c1ccc(Br)o1)N(Cc1ccccc1O)C1CCCC1	759048488	JINISNGSTXFJCJ-UHFFFAOYSA-N	400.294	3.881	10	20	HHCD	
COCc1nn(CC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c(=O)o1	759719409	XMDYNPYNJBFYPJ-UHFFFAOYSA-N	410.257	3.580	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](C)[S@@](=O)CC2)c(C)n1-c1ccc(Br)cc1	760660018	POARNPHSYBQAEX-SXBQZSJRSA-N	423.376	3.840	10	20	HHCD	
CC1(C)C[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)CN1Cc1ccccc1	762476259	OQJZKFFUDBALQA-NRFANRHFSA-N	411.565	3.930	10	20	HHCD	
CCNC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2O)c(C)c1	765251826	LIFGWNYEXUDZIS-UHFFFAOYSA-N	406.280	3.535	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1F	765422266	DYWODRCSVGGDGI-QGZVFWFLSA-N	419.884	3.538	10	20	HHCD	
COc1cccc2c(NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc(C)nc12	765472936	UARLDJYJCSAIFO-GOSISDBHSA-N	404.514	3.866	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)c3ccc(Br)cc3)CC2)cc1	766296032	UGBLVDYHNQECIF-HNNXBMFYSA-N	403.320	3.910	10	20	HHCD	
Oc1cc2c(cc1CN1CCN(C(c3ccccc3)c3ccccc3)CC1)[C@@H](O)CO2	768437705	DICFPEKXJZYIFO-DEOSSOPVSA-N	416.521	3.725	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cccc4cccnc34)cc2F)C[C@H](C)O1	768516583	VUBRKZCEZYVKGZ-IRXDYDNUSA-N	423.488	3.683	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCn3c(nnc3-c3ccccc3)C2)ccc1N1CCCCC1	769542410	IIZMOCDFJZTNPZ-UHFFFAOYSA-N	418.501	3.859	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(Br)c(F)c1	771862388	RNECMHQVMKDOHV-UHFFFAOYSA-N	413.630	3.916	10	20	HHCD	
CC(C)Oc1ccc(S(=O)(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1	773384237	WQANBCVNKQYRGR-UHFFFAOYSA-N	417.575	3.805	10	20	HHCD	
Cc1cc(C)cc(Oc2ccc(NC(=O)C(=O)NCCc3ccc(O)c(O)c3)cc2)c1	774361733	IRNKUCXGXSVDDH-UHFFFAOYSA-N	420.465	3.804	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCC(C(=O)C(F)(F)F)CC2)c1O	774668628	QVLONNQDWBPILY-UHFFFAOYSA-N	407.388	3.672	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1F	775358148	HYHLWMKGGYAVFJ-UHFFFAOYSA-N	423.529	3.641	10	20	HHCD	
Cc1ncsc1/C=C/C(=O)N(CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2	776858127	SNBGVWHXDHPZRF-BQYQJAHWSA-N	402.472	3.568	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cc(Br)cn(C)c1=O	782787760	KGFGOERGEJDVCE-UHFFFAOYSA-N	421.339	3.656	10	20	HHCD	
CCOc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	785748709	CKZGZVFYQGVBIN-KRWDZBQOSA-N	409.530	3.520	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4ccc(F)cc4s3)cc2)CC1	786261341	AYQRVFWKCHZLNK-UHFFFAOYSA-N	411.502	3.639	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCOc1ccc2c(c1)NC(=O)CC2	787247639	KUSMAMMGYUTIQZ-UHFFFAOYSA-N	409.530	3.845	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCC[C@H]1CCCO1	787636777	BHGQFHCYUIQMGM-DKXRRRNBSA-N	411.570	3.842	10	20	HHCD	
C[C@H](NCCOCC(F)F)c1cc(Br)cc(Br)c1O	788263188	RQZNQDGYXBSLHK-ZETCQYMHSA-N	403.061	3.850	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCC4CC4)cc3)SC2=S)cc1	790107742	JZNONOJNZPFHLD-WQRHYEAKSA-N	410.520	3.980	10	20	HHCD	
Cn1nc([C@@H]2CCCOC2)cc1NC(=O)N(Cc1ccco1)Cc1ccccc1O	790546822	ONSGQYVMEJHPCP-QGZVFWFLSA-N	410.474	3.847	10	20	HHCD	
COC(=O)CCSc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	797638512	WPODDOBZYMDRJX-ZDUSSCGKSA-N	404.488	3.506	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccccc2Br)SC1=S	799200428	AOTFUNNVAKTNKD-FMIVXFBMSA-N	400.319	3.604	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1noc(CNC(=O)OC(C)(C)C)n1	800334409	CTRLLJRYJFPBIQ-UHFFFAOYSA-N	403.527	3.571	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	802610298	ZBXPADNAMXVENQ-UHFFFAOYSA-N	405.838	3.721	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1nc2ccccc2s1	804166510	DFDHKDMWCCMDEV-OAHLLOKOSA-N	410.543	3.588	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1	805244520	KKASVKWSRWQFQA-AWEZNQCLSA-N	418.321	3.802	10	20	HHCD	
CC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1F	806890965	FYUYBKUYOZXNIQ-UHFFFAOYSA-N	411.477	3.520	10	20	HHCD	
CS(=O)(=O)C1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CCCC1	807537610	NKEKHWOMQIXSTD-UHFFFAOYSA-N	408.564	3.594	10	20	HHCD	
COCCOCc1ccc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)cc1	809144210	HGNHNWVLMJRIAL-BOPFTXTBSA-N	416.524	3.659	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cccc(C)c1O	809680447	VUZFUUIQMUIWKW-UHFFFAOYSA-N	404.532	3.886	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	814824702	HFYLFAHYTRKPGX-UHFFFAOYSA-N	423.391	3.722	10	20	HHCD	
CC[C@@H](Nc1ccc(N2CCN(C(=O)OC)CC2)nc1)c1cccc(Cl)c1O	815655432	RTXNKWIJMDYVGP-QGZVFWFLSA-N	404.898	3.892	10	20	HHCD	
Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)c(F)cc1O	816603374	HACINHGNLJSOOF-MRXNPFEDSA-N	424.904	3.712	10	20	HHCD	
Cc1noc([C@H](C)OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1	913362791	XXYVHUHHFNGZJL-AVMBBCFPSA-N	423.541	3.725	10	20	HHCD	
Cc1ccn2c(=O)c(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cnc2c1	915642062	XGKZSSSSMNXJEK-UHFFFAOYSA-N	416.481	3.505	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N(C)[C@@H]3CCc4ccccc43)CC2)cc1	916196424	FRKOHNNJCDTTKQ-XMMPIXPASA-N	422.573	3.536	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccc(C)cc1	917709019	OVGPAUJYXRIHCK-UHFFFAOYSA-N	422.504	3.649	10	20	HHCD	
COc1cccc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	918219980	FNYWOORMEZSYOV-CALCHBBNSA-N	415.509	3.790	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)c(C)n1-c1cccc(Cl)c1	919978844	LGRUMTWMURMDOF-UHFFFAOYSA-N	422.916	3.741	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c(C)n1C[C@@H]1CCCO1	920471395	AEWRFIZXPVNWEV-LPGQDOADSA-N	419.616	3.579	10	20	HHCD	
CCOc1ccc(N2CCN(c3ccc4nnc(-c5ccccc5F)n4n3)CC2)cc1	1337110295	ZFLXKSRUKYEDEN-UHFFFAOYSA-N	418.476	3.656	10	20	HHCD	
C[C@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)CC=CCC1	1803280075	HROBGSPZRWGHML-CPBBTPEFSA-N	418.921	3.749	10	20	HHCD	
COc1ccc(-c2nnn(CC(=O)c3cc(C)n(-c4ccccc4)c3C)n2)cc1OC	4501233	FXFNNKQNEVVIOA-UHFFFAOYSA-N	417.469	3.648	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)NC3(CCC3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	110089275	LMHAUWMQVUBPFW-UHFFFAOYSA-N	419.403	3.770	10	20	HHCD	
COc1ccc(N2CCC(N=c3cc(C)[nH]c(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1	726594002	CXJGLDIRVPFXGG-UHFFFAOYSA-N	419.485	3.872	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cccc3c2OCCCO3)SC1=S	727175843	BCTIJFODUCDKMQ-LFIBNONCSA-N	406.573	3.637	10	20	HHCD	
CN(C)c1ccc(CNS(=O)(=O)c2cc(Br)ccc2Cl)cc1	727680317	MBDZPYWCMUGAJK-UHFFFAOYSA-N	403.729	3.647	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1CS(=O)(=O)c1ccccc1	734406643	ZAPGQEFNTULJSG-UHFFFAOYSA-N	422.550	3.965	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(C(N)=O)(c3ccccc3)CC2)c(C)n1-c1ccccc1	734486116	BDDMTKRMKQVNDZ-UHFFFAOYSA-N	415.537	3.796	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc2c(cc1Br)OCCO2	734642351	LEQZMGMDEJHTIH-UHFFFAOYSA-N	420.307	3.916	10	20	HHCD	
CC(C)c1nn(C)c(Cl)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	741539481	DISDTIJEKWMOCG-ZIAGYGMSSA-N	422.932	3.880	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1	742391480	JTUMNWVZXBKHRT-CYFREDJKSA-N	417.557	3.730	10	20	HHCD	
CC(C)=CC(=O)NCc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	743339527	SKRKKOLEOYPVIT-QFIPXVFZSA-N	422.525	3.796	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)cc1	743553334	IRMSZUQMWFSXBT-UHFFFAOYSA-N	422.529	3.757	10	20	HHCD	
COc1cc([N+](=O)[O-])c(C(=O)NCc2c(O)ccc3c2CCCC3)cc1SC	743719850	XAYFTRNJIROZIK-UHFFFAOYSA-N	402.472	3.840	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCCNC(=O)OC(C)(C)C	743809608	ZWQMKFKQPXHUPF-UHFFFAOYSA-N	415.328	3.808	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN(C)CC(C)(C)O)sc(C)c1-c1ccccc1	743850223	QGQCBXREWJOKGX-UHFFFAOYSA-N	418.559	3.932	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@@H](COCc4ccccc4)C3)CC2)cc1	745794929	AAOMPMDQYJEIPY-OAQYLSRUSA-N	423.557	3.912	10	20	HHCD	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	751783752	VSFORGVFXXIOLS-LAUBAEHRSA-N	411.521	3.874	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)CC2)cc1F	753932745	UJLMXIJLNWRNGN-YADHBBJMSA-N	413.493	3.586	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)n2)ccc1F	753977509	DRCRGYWJQZYUOG-UHFFFAOYSA-N	404.444	3.729	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](c1ccc(C)cc1)n1cncn1	756043792	BNSXWILILDSCOV-LADGPHEKSA-N	423.536	3.720	10	20	HHCD	
O=C(Nc1cccc2ccncc12)C(=O)N(Cc1ccco1)Cc1ccccc1O	756154760	FCACTLUNPWWEIP-UHFFFAOYSA-N	401.422	3.701	10	20	HHCD	
Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(O)c1	756429058	DCYDMCMUVJBLCS-QZTJIDSGSA-N	402.560	3.972	10	20	HHCD	
C[C@@H](NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1O	756476939	TWFZWBJMHXTDDC-OAHLLOKOSA-N	405.901	3.574	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(Br)cc(F)c2O)cc1	756876274	ZTULKAJGSHAYTR-NSHDSACASA-N	416.312	3.938	10	20	HHCD	
O=C1NCCc2ccc(CNC(=O)N(Cc3ccccc3O)C3CCCCC3)cc21	758684948	RQYUYLGVICVEGZ-UHFFFAOYSA-N	407.514	3.723	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)ccc1[N+](=O)[O-]	759162815	ZENUEZWJHKBZGB-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
CC[C@H](Cc1ccccc1Br)NC(=O)NCc1cc(OC)ccc1O	760172371	ZEGRPVUCDVDJMH-OAHLLOKOSA-N	407.308	3.984	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(Cl)n1	761696540	LIEFJUTVSAFILK-STQMWFEESA-N	422.888	3.818	10	20	HHCD	
CC(C)Cn1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1	762436030	GKODVDYKNPGXKT-UHFFFAOYSA-N	411.550	3.563	10	20	HHCD	
O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1ccco1)Cc1ccccc1O	764287692	LZUMDVUHSTZZQJ-UHFFFAOYSA-N	418.409	3.922	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2C[C@]23CCOC3)c(C)n1-c1ccc(OC(F)F)cc1	764645243	GNFSXIUBGUEYRN-AVRDEDQJSA-N	419.424	3.848	10	20	HHCD	
COc1ccc2c(c1)[C@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCCO2	765285749	FVAUXNINHJGRJS-OAQYLSRUSA-N	400.494	3.799	10	20	HHCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	765475931	YANZIWVSZYJHME-QGZVFWFLSA-N	419.566	3.917	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cnc(S)n1-c1ccccc1	765732766	SGDFENHGCKPNSL-UHFFFAOYSA-N	404.289	3.559	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccn(-c4ccc(F)cc4F)n3)CC2)cc1	766465906	DLGAVHLBQBBQAZ-UHFFFAOYSA-N	412.440	3.558	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@H]2COC(=O)C2)c(C)n1-c1ccc(F)c(Cl)c1	767604090	VSGLRROUQVFDQG-ZDUSSCGKSA-N	407.825	3.566	10	20	HHCD	
O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NCc1c(O)ccc2c1CCCC2	768293572	NTNHTHBADMQQDR-UHFFFAOYSA-N	409.482	3.712	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1ccc(N2CCCCC2)cc1	773006415	XUPAUXLISDPCAN-HXUWFJFHSA-N	408.590	3.819	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)n1	773261091	GJLUBXMVLZOJKJ-MRXNPFEDSA-N	407.518	3.968	10	20	HHCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	775665696	JUBOISVSKAPIGX-KRWDZBQOSA-N	418.944	3.614	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)Cc3cc(F)c(F)c(F)c3)CC2)cc1	777736282	CLHWMVMMVHOIAO-UHFFFAOYSA-N	407.436	3.923	10	20	HHCD	
O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCc1ccc(O)c(O)c1	778925844	PFBBRZMDRFOTRY-UHFFFAOYSA-N	411.841	3.677	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1c(C)cccc1F	785192935	RULGTKYSPXCHBV-UHFFFAOYSA-N	409.255	3.589	10	20	HHCD	
C[C@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(N2CCOCC2)c(F)c1	785568903	RMZKOQYZFPTYCW-UWJYYQICSA-N	403.542	3.637	10	20	HHCD	
CC[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Cl)c(Cl)c1O	790759809	UIKSRSIWKKCVDB-MRXNPFEDSA-N	418.342	3.706	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1O	791005093	WYRXHQPCPCOXPG-JLTOFOAXSA-N	408.336	3.883	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccnc(SC)c1	791246017	JOHXRIMJSDQXHG-UHFFFAOYSA-N	401.532	3.806	10	20	HHCD	
C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cc1cc2c(cc1O)OC[C@H]2O	793600728	UVNMBFFPPGCLRL-ZQBYOIRZSA-N	409.404	3.799	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCC[C@](O)(C(F)(F)F)CC2)c1O	795718443	NUFKXDAUNKDRQG-HXUWFJFHSA-N	409.404	3.608	10	20	HHCD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1	798057348	MTBGQYUAHWSJSP-FCHUYYIVSA-N	411.571	3.994	10	20	HHCD	
C[C@@H](NC(=O)NC[C@H]1CCCN1C1CCCCC1)c1ccc(N2CCOCC2)cc1	798061066	SLMJGYZQLWBGTM-AUSIDOKSSA-N	414.594	3.681	10	20	HHCD	
Cc1nc([C@H](C)NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n[nH]1	804815722	YWPLRXYPAWNOJA-NSHDSACASA-N	402.296	3.774	10	20	HHCD	
Cc1ccc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1C	807291630	GGVVJCZQEDRCQT-HSZRJFAPSA-N	403.526	3.660	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1c(F)cc(Cl)cc1F	807512770	IIKAAOUOXFZUJL-UHFFFAOYSA-N	409.603	3.886	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc4sccc4c3)cc2)C1	811926532	SHZHZPYPQMJNCY-LJQANCHMSA-N	422.554	3.602	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1CCCS(=O)(=O)C1	815951487	GDRWWXSPHQRCCR-MSOLQXFVSA-N	401.528	3.697	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)[nH]1	914967576	GYLAUZLWSLBNBL-AWEZNQCLSA-N	416.433	3.591	10	20	HHCD	
COc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1NC(C)=O	916681383	VICJZFKJJZVPDT-SFHVURJKSA-N	413.474	3.572	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)cc3)cc2F)C[C@@H](C)O1	917999006	UIBILPFGDOWREW-HZPDHXFCSA-N	403.473	3.620	10	20	HHCD	
CCc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N(CC)CC)cc3)CC2)cc1	918228094	GLPBRRRNTPUQIY-UHFFFAOYSA-N	422.573	3.763	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3cc(Br)cs3)SC2=S)CC1	920473625	QAWBSQOEFVNNRM-KPKJPENVSA-N	403.392	3.806	10	20	HHCD	
COC(=O)N1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1	1318182444	NWRJUQPCFWSWGT-UHFFFAOYSA-N	422.481	3.748	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1COc2ccc(F)cc2C1	1329036124	IJXDIQWOLTYEDF-QFBILLFUSA-N	418.896	3.517	10	20	HHCD	
C[C@@H](NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	1340541497	OIALCOWUGHGTRV-IAGOWNOFSA-N	409.546	3.958	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1	4541399	OTQLYFGCSFQOBL-UHFFFAOYSA-N	406.438	3.661	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1	11853396	SIOYDFKBDSPQNY-UHFFFAOYSA-N	411.590	3.540	10	20	HHCD	
Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	108286886	GDOXHCKTYSTOFT-KSZLIROESA-N	400.494	3.831	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)CC2)cc1	108689901	FDTOXCMUIHWIKV-UHFFFAOYSA-N	424.501	3.556	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCCc2ccc(Br)s2)cc1F	116144590	KWYBFVHMWQBJSL-UHFFFAOYSA-N	400.317	3.758	10	20	HHCD	
C[C@H]1CCCC[C@H]1OCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	227113183	DSCTZXQFPNUBBT-KCXPTXFHSA-N	421.557	3.834	10	20	HHCD	
CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCc1c(C)c2ccccc2n1C	469935340	LUAUCZOEQZOTFE-UHFFFAOYSA-N	403.479	3.741	10	20	HHCD	
COc1cc(C)c(Br)cc1C(=O)N1CCOc2cc(N(C)C)ccc21	513679240	VVNJKNHWFOUNOV-UHFFFAOYSA-N	405.292	3.871	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)n(C)c2ccccc12	557666463	CCBNFANEVNQGCC-JOCHJYFZSA-N	407.489	3.900	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccnc(OC2CCCCC2)c1	726237635	YMUXPKLCIQXING-UHFFFAOYSA-N	424.545	3.629	10	20	HHCD	
COc1cccc(CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1O	729858795	CDPTZJMHVFUNFO-FQEVSTJZSA-N	404.466	3.578	10	20	HHCD	
CNC(=O)C1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CCC1	730044972	BZEUCYAIWRMVAX-UHFFFAOYSA-N	420.868	3.529	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(Cl)nc3Cl)cc2F)CC1	730193210	ZFCQXANSKXMPFH-UHFFFAOYSA-N	411.308	3.599	10	20	HHCD	
Cc1cc(C)cc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	730583351	QIRMORBPVRAHDW-QUCCMNQESA-N	408.546	3.566	10	20	HHCD	
COc1cc(Cl)ccc1CNC(=O)NCc1ccc(N2CCSCC2)cc1	730823131	DRDIDZDFJMTPOE-UHFFFAOYSA-N	405.951	3.901	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)N1CCCCCC1	731035990	CRGKAUKEMIEEBC-UHFFFAOYSA-N	401.551	3.867	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCCN(c4nccs4)CC3)cc2)CC1	731049754	NHNZEKIGCFZYFE-UHFFFAOYSA-N	413.591	3.801	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc(CS(C)(=O)=O)cc3)cc2)CC1	731107180	HNEAYKRWUDRCJB-UHFFFAOYSA-N	415.559	3.789	10	20	HHCD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	733098140	XNDJNWJWYNLRRW-BEFAXECRSA-N	414.468	3.754	10	20	HHCD	
COc1ccc(O)c(CNC(=O)COc2ccc(C3SCCCS3)cc2)c1	734018249	KWGUEIXALSDKFL-UHFFFAOYSA-N	405.541	3.965	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1	737126904	OUEPBWZHSMRVAK-UHFFFAOYSA-N	419.529	3.590	10	20	HHCD	
CCc1ccccc1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	740790013	SHJOQTDXEYCUHG-UHFFFAOYSA-N	414.417	3.863	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1	741071695	XKGMJMKWRGZCEV-UHFFFAOYSA-N	422.526	3.755	10	20	HHCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCS1	743555419	XZRDQMKUOAUBFA-MRXNPFEDSA-N	417.497	3.579	10	20	HHCD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743648637	OKAVNLJFUACWPH-FDPIWHGQSA-N	423.504	3.760	10	20	HHCD	
CCCn1ccc2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cc21	743957989	GPKAQRUSSAQFRO-UHFFFAOYSA-N	405.498	3.891	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1	749577923	ZGAOOEJCXWNDJN-DEOSSOPVSA-N	416.481	3.709	10	20	HHCD	
OC1CCN(c2ccc(CNC(=S)NC34CC5CC(CC(C5)C3)C4)cc2F)CC1	750993901	DOQKSOZJAHSJFB-UHFFFAOYSA-N	417.594	3.720	10	20	HHCD	
Cc1ccc(Cl)c(OC[C@@H](O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1	754067733	PTQIUNNMYDEHKA-OALUTQOASA-N	405.922	3.775	10	20	HHCD	
Cc1cnc([C@H](C)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	755005487	DIHLTKFABYEVDF-KGLIPLIRSA-N	419.506	3.905	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3c[nH]nc3-c3ccccc3F)CC2)cc1	756107784	XFNWGTAFHKPDJR-UHFFFAOYSA-N	423.536	3.526	10	20	HHCD	
C[C@@H](NCCC(=O)NC(C)(C)C)c1cc(Br)cc(Br)c1O	756682101	GUKJBBIXOSNKLK-SECBINFHSA-N	422.161	3.873	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c1	756802145	ABNCBHLAQULCSQ-LSDHHAIUSA-N	408.458	3.748	10	20	HHCD	
COc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2O)cc1-n1nnnc1C	757599093	XCRNZGSVYMKOBA-VIFPVBQESA-N	422.258	3.760	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2ccc(N3CCCC3)nc2)C1	758483008	JZLHNWYAMGVCHZ-FQEVSTJZSA-N	400.954	3.795	10	20	HHCD	
COc1ccc(C(=O)CCCCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	759368595	IZNVLBJZORZXEV-UHFFFAOYSA-N	410.514	3.591	10	20	HHCD	
COCCC1(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCCC1	760744068	PNXITUCUABUMGI-ROUUACIJSA-N	421.557	3.835	10	20	HHCD	
Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	760904982	FXTIAWDQNMWLBF-UHFFFAOYSA-N	415.493	3.896	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1	761968419	UWSTYLYVPDAYLJ-GIPWTMENSA-N	418.902	3.860	10	20	HHCD	
CN(Cc1ccc(F)c(Cl)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	764228084	IDCIBINXJLRNKJ-UHFFFAOYSA-N	423.891	3.921	10	20	HHCD	
C[C@@H](N[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N2CCOCC2)cc1	765328508	GAHREHTYDQCNIO-HZPDHXFCSA-N	424.513	3.931	10	20	HHCD	
CN(C)c1nnc(-c2ccc(NC(=O)NCc3c(O)ccc4c3CCCC4)cc2)o1	767871140	BTGASJFGKJDSNG-UHFFFAOYSA-N	407.474	3.709	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769062161	IIIRPEXDGIKEPK-KRWDZBQOSA-N	404.511	3.684	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CCc2ccccc2)Cc2ccccc2)c1	769649374	RQCUFMXICZNUMQ-UHFFFAOYSA-N	424.522	3.649	10	20	HHCD	
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Oc2ccccc2)cc1	769740607	DLDBSIOLOBFDSZ-UHFFFAOYSA-N	412.467	3.833	10	20	HHCD	
CCCn1c(CO)nnc1SCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	769868152	PQMBOQCRWPBFAL-UHFFFAOYSA-N	402.495	3.702	10	20	HHCD	
NC(=O)CSc1ccccc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	770513599	WROGDAOKUCAKRA-UHFFFAOYSA-N	400.504	3.775	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)cc1	772473311	PVOSFOQCFBPHPG-UHFFFAOYSA-N	406.511	3.554	10	20	HHCD	
C[C@H](NC(=O)/C=C/c1ccc(I)o1)c1ccc(N(C)C)cc1	773001414	UFRVOYRVXGTACP-ZKQHCESOSA-N	410.255	3.841	10	20	HHCD	
COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773089764	VJUGUSWAWXOTOW-ZDUSSCGKSA-N	418.540	3.793	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1c(C)noc1-c1ccccc1	773218332	PDBCNYHRARQAGM-UHFFFAOYSA-N	406.486	3.703	10	20	HHCD	
CC[C@@H](NCc1ccc(OCCO)c(OC)c1)c1cc(Br)ccc1O	775491317	ICONHTLGHYXGCO-MRXNPFEDSA-N	410.308	3.775	10	20	HHCD	
COc1cc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)ccc1OC(F)F	775641495	BBWBLMZIJTZXHD-UHFFFAOYSA-N	405.489	3.680	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)/C=C\c2cnc(OC)nc2)cc1	775849121	KOQJZEXWKRENQR-AUWJEWJLSA-N	418.497	3.806	10	20	HHCD	
COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1	779605603	VVRVYRKZDSGSAC-CYBMUJFWSA-N	400.313	3.575	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@H]([C@H](C)O)C2)sc(C)c1-c1ccccc1	780357991	HGPRDLBAIUKKTQ-YOEHRIQHSA-N	416.543	3.541	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC2CCN(CC(F)(F)F)CC2)cc1	780628701	QOGNQQALZKLVLJ-UHFFFAOYSA-N	414.516	3.949	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	782520898	WTKYQYZOYBKRCM-GOSISDBHSA-N	419.451	3.825	10	20	HHCD	
C[C@H](NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1	783309666	LXQZEHQGGONLDE-ZSZQSSIHSA-N	404.448	3.797	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1C	784058179	OEMKWTPBJBAQSY-UHFFFAOYSA-N	408.502	3.840	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C(C)=C/c3cccc(Cl)c3)cc2)CC1	786257836	UROCSIAYAVERDO-SAPNQHFASA-N	411.933	3.728	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c[nH]cc1-c1ccccc1F	787401049	BUPJXXLMOOMGBR-UHFFFAOYSA-N	411.452	3.851	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)c(O)c1	792892718	ZUYIYDVXEBSOTQ-HNNXBMFYSA-N	403.910	3.688	10	20	HHCD	
COc1ccc(CNC(=O)NCC2(c3ccccc3Cl)CCOCC2)c(O)c1	792990590	XUEJNSAPXGLUBA-UHFFFAOYSA-N	404.894	3.602	10	20	HHCD	
Cc1cc(C(F)(F)F)c(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)nn1	795241940	QOUNNDKCWNABKF-UHFFFAOYSA-N	416.403	3.627	10	20	HHCD	
C[C@@H](NCCCN1C(=O)c2ccccc2C1=O)c1cc(Br)cc(F)c1O	797074996	RAFLAEBVSUIHTH-LLVKDONJSA-N	421.266	3.631	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1	797619388	ZAPRQLHSRRCDLX-OAHLLOKOSA-N	411.502	3.913	10	20	HHCD	
CSc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	798373304	VZSPUPOKXAAFDX-OAHLLOKOSA-N	403.523	3.945	10	20	HHCD	
CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(OC)nc3)sc2C)cc1	799636528	RTKGDNQMRBKAGD-UHFFFAOYSA-N	405.501	3.722	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c1O	807252218	XFCDPIMSRZKKGD-MRXNPFEDSA-N	406.280	3.509	10	20	HHCD	
O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cc(Cl)cc(Cl)c1	807386749	HMXRZFQTLKLVNZ-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
CC(=O)Nc1c(C)ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C	807513254	WKBQCGWYTFCIGE-UHFFFAOYSA-N	424.284	3.529	10	20	HHCD	
NC(=O)c1ccc(NCc2cc(Br)ccc2O)c(OCC(F)F)c1	811516633	ZMVLYJZYXKTWEN-UHFFFAOYSA-N	401.207	3.510	10	20	HHCD	
CCOCc1nc([C@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1	812016396	FJWDOMLJKKUPQO-INIZCTEOSA-N	415.538	3.935	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1cccc(Cl)c1F	813509117	UUOPWZMRHUOOMV-UHFFFAOYSA-N	400.233	3.582	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1ccc2ccccc2n1	813509345	YHMGCGFWHWVRNR-UHFFFAOYSA-N	412.873	3.728	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCNCc2ccc3ccccc3c2O)s1	816547555	ABSINFFBUCLGNO-UHFFFAOYSA-N	418.584	3.970	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2CCN(c3cnccn3)CC2)cc1	914499446	KHHQOSAARHEDEW-UHFFFAOYSA-N	419.529	3.581	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1	915895217	XCZRUFFEHBJMMM-XMMPIXPASA-N	424.589	3.575	10	20	HHCD	
COc1ccc(N2CCN(CC(=O)N(C)[C@H](C)c3cc4ccccc4o3)CC2)cc1	916985233	YUBUGEZVLKABKI-GOSISDBHSA-N	407.514	3.783	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3ccc(F)cc3Cl)cc2F)C[C@@H](C)O1	917169534	BJIVZCILKSBYNJ-ZIAGYGMSSA-N	424.875	3.927	10	20	HHCD	
COc1ccc2cc(CNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc2c1	917999015	UPZUHVLHQDKHMG-UHFFFAOYSA-N	423.488	3.824	10	20	HHCD	
O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccc(N2CCC(O)CC2)c(F)c1	919969575	SFYISKGEBUNJQT-UHFFFAOYSA-N	424.516	3.555	10	20	HHCD	
C[C@H](NC(=O)c1ccc(Br)c(F)c1)c1ccc(N2CCOCC2)cc1	921284317	WXBLNNWPCQOZQI-ZDUSSCGKSA-N	407.283	3.916	10	20	HHCD	
COc1cccc(-n2ccnc2SCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	27434339	NCZOVDCCNNKOMN-UHFFFAOYSA-N	410.543	3.698	10	20	HHCD	
CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N	29033576	GIQPCJUEZABZIB-CYBMUJFWSA-N	411.483	3.882	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(N3CCCC3=O)c2)cc1	104957453	KODLOTYRGJPHRR-HSZRJFAPSA-N	421.541	3.701	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCOc1ccc2ccccc2c1	302904365	XPVDBNRNVUYPHE-UHFFFAOYSA-N	419.525	3.897	10	20	HHCD	
CCOC(=O)c1nc(CC)oc1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	540104053	NJQPAPKWRPNQMC-UHFFFAOYSA-N	413.474	3.884	10	20	HHCD	
CN(CCc1ccncc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726720042	TUUOVMNGOUEHEW-UHFFFAOYSA-N	404.461	3.536	10	20	HHCD	
Cc1[nH]c2ccccc2c1CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	726978594	BJXMLXIPRNFCKW-KRWDZBQOSA-N	406.530	3.916	10	20	HHCD	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	727847777	UHIGNDQKTBZMCP-ONTIZHBOSA-N	414.594	3.792	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nc(C2CC2)no1	727940071	VRMWPXMAEOGDJJ-SFHVURJKSA-N	415.563	3.697	10	20	HHCD	
Cc1nc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)oc1-c1ccccc1	730214225	XXCWVQJTNUYEDY-UHFFFAOYSA-N	405.498	3.736	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1	731284611	BUOBKLXBGSFNQZ-UHFFFAOYSA-N	416.610	3.708	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2ccc(OC)cc2OC)cc1F	731403492	MCMCIWMBIJNUQO-UHFFFAOYSA-N	403.498	3.731	10	20	HHCD	
O=C(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(N=Nc2ccccc2)cc1	731843539	PDGKAPDROSIXDJ-FQEVSTJZSA-N	412.515	3.692	10	20	HHCD	
Cc1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C(C)C)n1	734100486	BVZJPXGEYXJEQH-HUUCEWRRSA-N	400.498	3.591	10	20	HHCD	
CCN1CCc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc21	737110551	FHORHOZZXZHQCH-UHFFFAOYSA-N	419.481	3.535	10	20	HHCD	
CCN(CC)c1ccc(CNCCC(=O)N2CCN(c3ccccc3)CC2)cc1F	740004242	LIESLOJLRVUSFU-UHFFFAOYSA-N	412.553	3.500	10	20	HHCD	
Cc1cc(=O)oc2cc(OCCN(Cc3ccccc3O)C[C@H]3CCCO3)ccc12	740878031	RCVCKAPSRVVXBI-HXUWFJFHSA-N	409.482	3.867	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC[C@H](CNC(C)=O)C3)c2C)c1	742615979	YOSHQAWNXNRREF-LJQANCHMSA-N	413.587	3.847	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c2ccccc12	743046386	FAXUWJOLABKXBV-UHFFFAOYSA-N	414.512	3.896	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)cc2F)C[C@@H](C)O1	743555227	SQPPATIQMHYZHA-KAULMNLWSA-N	411.521	3.870	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCN(c2ccc(F)cc2F)C1	743595951	IRMWCKYRIHFDNX-MRXNPFEDSA-N	401.457	3.627	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1COc2cc(OC)ccc2C1	743809263	QPQZOQSYHWCVPN-HNNXBMFYSA-N	420.303	3.763	10	20	HHCD	
CCN(CC(=O)NCc1ccc(C)c(F)c1)Cc1cc(Br)ccc1O	743870819	CDJCNXWPJJTQCW-UHFFFAOYSA-N	409.299	3.741	10	20	HHCD	
C[C@@H](Oc1cccc(F)c1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	751403788	FPXRIPNQFJRRHD-VGSWGCGISA-N	400.494	3.867	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1c2ccccc2C[C@H]1C	751930434	FJGNOZUYMCGRLH-CABCVRRESA-N	421.522	3.839	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2C)no1	752152109	VTOMLOYCHYLJAY-LJQANCHMSA-N	409.486	3.918	10	20	HHCD	
C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	752180156	KIQUOFDVTJXHFU-HKUYNNGSSA-N	414.550	3.508	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	754128497	MZTYZBAVYNQWBR-IPMKNSEASA-N	421.488	3.514	10	20	HHCD	
C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(Cl)c1O	756458447	MTMKJKPBFGFFHP-BMIGLBTASA-N	414.731	3.725	10	20	HHCD	
C[C@H](CN1CCN(c2ccccn2)CC1)N[C@H](C)c1ccc(Cl)c(Cl)c1O	756590513	NSHZJJSSYYTOCM-HUUCEWRRSA-N	409.361	3.955	10	20	HHCD	
C[C@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1O	756595942	ANSQWBHWVMUKFD-AWEZNQCLSA-N	416.474	3.973	10	20	HHCD	
CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(Br)cc(Cl)c1O	756662635	FFVKOFFMUPEYAI-VIFPVBQESA-N	402.720	3.963	10	20	HHCD	
O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc(Cl)c1F	758163266	PWAHLTYAGUHMJQ-UHFFFAOYSA-N	414.625	3.991	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(CCc3cccs3)C1=O)OCO2	758822734	WCBDWXXODJQALN-LZYBPNLTSA-N	405.522	3.929	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCSc1nccs1	759591056	TZQUNNZYFWCWGS-QGZVFWFLSA-N	404.605	3.931	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)[C@@]12CCCO2	760142349	KPKCLWJFUGQTDQ-XPNTWCBSSA-N	402.535	3.963	10	20	HHCD	
O=C(NCCc1ccc(Cl)nc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	760819435	UGBFEOAQVXLMQD-UHFFFAOYSA-N	424.879	3.847	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCC[C@H]2OCC[C@@H]12	760910334	WCJWPPZGAGIFTN-IPMKNSEASA-N	409.477	3.514	10	20	HHCD	
COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1O	761183451	KJFBIRDAWXAALM-UHFFFAOYSA-N	421.335	3.632	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)c1	761423611	NJWRQBVYRXDSMC-UHFFFAOYSA-N	414.270	3.711	10	20	HHCD	
C[C@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1	765592001	GOXBKSJGDRZHTN-KRWDZBQOSA-N	421.557	3.960	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1	766834502	DVLUBINWUQEXNS-RBUKOAKNSA-N	408.329	3.859	10	20	HHCD	
COc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC(C)C	767966602	RVUMVSXJDHKQRQ-UHFFFAOYSA-N	413.518	3.983	10	20	HHCD	
C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1	769914161	PGHCVFXKXZUYBX-DJCROIMJSA-N	408.907	3.544	10	20	HHCD	
C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(N(C)C)cc1	773016023	PXNJEIZELREPGW-LBPRGKRZSA-N	406.280	3.843	10	20	HHCD	
CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	773098650	NZWUNPXXGHOUMW-HKUYNNGSSA-N	420.550	3.565	10	20	HHCD	
C[C@H](NC(=O)NCCc1ccc(OCC(F)(F)F)nc1)c1ccc(N(C)C)cc1	773615159	XDSUENJCFPIZBX-AWEZNQCLSA-N	410.440	3.692	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccccc1Sc1ccccc1	774361709	IKWSUDDXVWFJOC-UHFFFAOYSA-N	408.479	3.546	10	20	HHCD	
C[C@H](NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	775404221	MAZYKGJDNARXHT-RPNTZMPASA-N	414.509	3.796	10	20	HHCD	
CCOC(=O)N1CCC[C@H]([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	776864027	HNHYYOQAIIVSIJ-SCTDSRPQSA-N	407.530	3.570	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccccc1OC(C)C	777826472	NRYSUVOTNNFNIR-UHFFFAOYSA-N	405.878	3.577	10	20	HHCD	
COc1ccc([C@@H](CO)N(C)C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	777829223	IZQMTZNKEOLYHC-HSZRJFAPSA-N	408.498	3.917	10	20	HHCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	778456251	NOHCYQUIPRBUKD-HKUYNNGSSA-N	404.894	3.540	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)cc1	781112480	AMPLTAQWNXWAGW-UHFFFAOYSA-N	416.587	3.916	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1	786074764	NFHNTWDZQOFWBO-HXUWFJFHSA-N	401.938	3.878	10	20	HHCD	
Cc1cccc(OCCCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C	786999913	OGKMILHSASILLF-UHFFFAOYSA-N	415.509	3.547	10	20	HHCD	
CCC[C@@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)sc2C1	789369449	BHHWTEKBQFGLDW-OAHLLOKOSA-N	414.575	3.711	10	20	HHCD	
O=C1NCCN(Cc2c(O)ccc3ccncc23)[C@@H]1c1ccc(OC(F)(F)F)cc1	790458997	CMPYVYKSJCEYCG-LJQANCHMSA-N	417.387	3.512	10	20	HHCD	
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F	792773207	QOQREDVYYTZVOS-CYBMUJFWSA-N	415.481	3.612	10	20	HHCD	
CCOCCCN1CC[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)C1	792976752	UGBSEWXNNJCJPW-UZLBHIALSA-N	401.517	3.998	10	20	HHCD	
CN(C)c1ccc(CNCc2ccccc2CN2CC[C@@H](O)C2)c(C(F)(F)F)c1	793064388	CGYBLSAOBLOUNI-HXUWFJFHSA-N	407.480	3.628	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(I)c(Cl)c2)c(O)c1	794373848	NFCAFFILFLZTMZ-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)C1=Cc2cc(Br)ccc2OC1	794872788	NDAKAAYYKDZPNS-UHFFFAOYSA-N	416.680	3.983	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1OC	795636284	RIOOEUONIBKAGB-HXUWFJFHSA-N	412.530	3.513	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNc3nccc(N4CCOCC4)n3)cc2Cl)C1	799963775	OGNMBQXLTNEUFD-MRXNPFEDSA-N	401.942	3.815	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1	802477304	YYYYOFWIXHJBJF-QFIPXVFZSA-N	422.573	3.518	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(N(C)C)cc1	803843909	YNWVDFXNAXTWFE-FZKQIMNGSA-N	417.962	3.937	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(F)c(C(F)(F)F)cc3F)CC2)cc1	804153088	VAABVOYOCWZLRG-UHFFFAOYSA-N	400.347	3.955	10	20	HHCD	
Cc1cccc([C@@H](C)CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	805026422	NDNMNUQSDZVXJZ-FQEVSTJZSA-N	407.558	3.767	10	20	HHCD	
CC[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1cc(Cl)cc(Cl)c1O	806161623	LIKQVYHDLRBQBO-QGZVFWFLSA-N	418.342	3.706	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2O)c(Cl)cc1F	807058509	PPQALZTUBKIJIJ-UHFFFAOYSA-N	415.646	3.511	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1F	807266261	VKKNXZLQEVYDFK-FQEVSTJZSA-N	403.473	3.647	10	20	HHCD	
C[C@H](NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1)c1ccc(N(C)C)cc1	807274644	XXBKPUPLBYNKMR-SFHVURJKSA-N	405.546	3.669	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)C2CC2)cc1	809193533	PVDMNZKZMWHINW-YADHBBJMSA-N	419.569	3.771	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ccc2c(c1)OCO2	814679967	UWRDPLGHXDCREE-DYESRHJHSA-N	410.514	3.793	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@@H](c3ccc(F)cc3)c3nc[nH]n3)cc2F)C[C@@H](C)O1	815561579	JTZYJXCQDZCHNS-PZPWOCDFSA-N	413.472	3.576	10	20	HHCD	
N=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(OC(F)(F)F)c1	849083668	DCERWKKEXZMEST-UHFFFAOYSA-N	422.451	3.930	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1OC	914577156	ITUVHPJMRNWCHP-UHFFFAOYSA-N	400.478	3.829	10	20	HHCD	
COC[C@@H](C)n1c(C)cc(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c1C	916644930	DAYLBCLDEMXHKS-WIYYLYMNSA-N	414.546	3.882	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)nc3)cc2F)C[C@@H](C)O1	917710430	MCZXXHRCHYYCPC-CHWSQXEVSA-N	411.399	3.783	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1	917752331	VMVBSGWUAAAQFG-UHFFFAOYSA-N	424.544	3.570	10	20	HHCD	
CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(N2CCN(C)CC2)c(F)c1	1317946780	SMLACVSTJYIKRA-FQEVSTJZSA-N	402.901	3.817	10	20	HHCD	
Cc1ccc(CN2CCCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)cc1	1319041756	PBZWUJNSPVSNIZ-UHFFFAOYSA-N	404.558	3.789	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(CN4CCCC4=O)o3)c2C)c1	59270979	FYXOTBCBTIMRJJ-UHFFFAOYSA-N	424.526	3.883	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)cc1	108577145	VAZHJGQXOHWMFL-UHFFFAOYSA-N	404.514	3.850	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccccc1F	113832736	OEIPJVXBAQUPEP-MHWRWJLKSA-N	403.456	3.885	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(Oc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	140922964	TVDUHRAOQNBMKL-LJQANCHMSA-N	409.530	3.837	10	20	HHCD	
COCCOc1cc(C)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	142086749	XZYMSERVMUWZJC-GOSISDBHSA-N	413.518	3.740	10	20	HHCD	
Cc1ccc(C[C@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1	303392037	YHZXHJIXHZDNGV-FQEVSTJZSA-N	409.574	3.943	10	20	HHCD	
Fc1cc(CNC/C=C\c2ccccc2)ccc1N1CCN(c2ncccn2)CC1	726607432	VEPCKLLOAKQZBH-YWEYNIOJSA-N	403.505	3.745	10	20	HHCD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	726708742	QFFDJGCHMDIWBT-DLBZAZTESA-N	424.536	3.676	10	20	HHCD	
CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	727733027	YUEBUUCHMWFIJZ-HXOBKFHXSA-N	419.566	3.784	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CNc3cccc(C(F)(F)F)c3)CC2)cc1	729531243	HOLKETRCNRVHJH-UHFFFAOYSA-N	407.436	3.911	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(Cc3ccc(C)o3)C3CC3)cc2F)CC1	730134009	JEGHFOHQPFOQGF-UHFFFAOYSA-N	414.525	3.743	10	20	HHCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F	731053310	KROSVZANSMTZJG-UHFFFAOYSA-N	421.881	3.861	10	20	HHCD	
COc1ccc(C(NC(=O)CN(C)Cc2ccccc2O)c2ccc(OC)cc2)cc1	731842817	HOEQPKPKKUGXOX-UHFFFAOYSA-N	420.509	3.747	10	20	HHCD	
COc1ccc([C@@H](NC(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)cc1	732203108	LSOJLGBDHCWXCQ-RDGATRHJSA-N	424.541	3.649	10	20	HHCD	
O=C(CCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1Cc2ccccc2C1	732232658	PEAILAIIGDVFHJ-UHFFFAOYSA-N	422.529	3.997	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1	733126506	TVHRQRKUJUHYQZ-KQWNVCNZSA-N	414.509	3.577	10	20	HHCD	
COCC[S@@](=O)Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1	735180407	PGSOSXVCQMDJKS-GDLZYMKVSA-N	415.559	3.504	10	20	HHCD	
O=C(CCOc1ccccc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1	736195516	NMSKKGBKMQJCKD-UHFFFAOYSA-N	402.922	3.634	10	20	HHCD	
CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cc21	737380883	JILWGOUSJNZCSW-UHFFFAOYSA-N	419.553	3.972	10	20	HHCD	
C[C@@H]1c2c(F)cccc2CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	738459346	JCLWJMFZNCTZGD-OAHLLOKOSA-N	401.457	3.630	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(N2CCOCC2)cc1	741269256	FJNMEBKLKRKOTA-XXBNENTESA-N	419.529	3.521	10	20	HHCD	
CCOc1cccc(NC(=S)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1	742982778	VDKOCCJWZTVPOZ-UHFFFAOYSA-N	419.450	3.692	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1	748014806	NOTOURIZMVVXAC-FQEVSTJZSA-N	423.340	3.912	10	20	HHCD	
CCC(C)(C)OCc1cccc(NC(=O)C(=O)NCc2cc(OC)ccc2O)c1C	749645098	JBGIUPKGDKZCJU-UHFFFAOYSA-N	414.502	3.669	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(Br)c(C)c2)c1	751319010	QMOICPUKNGWKPS-NSHDSACASA-N	400.294	3.511	10	20	HHCD	
CS[C@@H](C)CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	752268686	JLUNYVPGDYTOGC-GJSJWPQCSA-N	400.616	3.597	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c(C)n1-c1ccccn1	752324224	MCPQKALZUIUBFB-YJBOKZPZSA-N	412.534	3.864	10	20	HHCD	
CCOC(=O)c1cc(C)sc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	752714497	KACXEYJPRCMXDR-UHFFFAOYSA-N	417.531	3.734	10	20	HHCD	
O=C(c1ccsc1)N1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1	753534888	GPOCSQZPOWKTQB-UHFFFAOYSA-N	408.523	3.991	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnccc2-c2cccc(F)c2)cc1	753551862	CLIUDUYHMNBLQI-UHFFFAOYSA-N	420.488	3.989	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCCOc3ccc(F)cc3F)CC2)cc1F	753733271	XPIUHHQIFPHAKI-UHFFFAOYSA-N	408.420	3.620	10	20	HHCD	
CC(C)[C@@H]1C[C@@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CS1	754126271	ZINULWOWNAKLPI-NQIIRXRSSA-N	415.582	3.562	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	754127425	IWANZTZOJUUPAI-FDPIWHGQSA-N	421.488	3.514	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)C2CC2)cc1	755131354	YAKYGFJUFXKFTN-UHFFFAOYSA-N	419.447	3.692	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2csc([C@H]3CCCO3)n2)cc1	755788130	FRHZWKQBYBXXMW-UYAOXDASSA-N	415.559	3.882	10	20	HHCD	
COCCN(Cc1cc(Br)cs1)Cc1cc2c(cc1O)OCO2	756137158	IVLVQXNADXWNAH-UHFFFAOYSA-N	400.294	3.594	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(Br)s1	756927239	NXMYJCLOFKSIOO-NSHDSACASA-N	400.317	3.732	10	20	HHCD	
CC(=O)N1CC[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc21	757790046	JQHBZXQBVYKCOW-FPOVZHCZSA-N	423.513	3.581	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)NCCCSc1nccs1)c1ccc(F)cc1	759545662	DZPUZMATSYTRRE-HNNXBMFYSA-N	405.524	3.587	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc(OC)c1OC	759873621	XCRKNSVPQDOJEL-UHFFFAOYSA-N	409.486	3.690	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccccc3O[C@@H]3CCOC3)CC2)cc1	760068113	ZBEVEYXFMDUYDY-HXUWFJFHSA-N	411.502	3.653	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	762290628	GZTJFOZCTRRGIW-BUXKBTBVSA-N	406.841	3.725	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1	765298511	VOYVEMYHOUXHTE-ISKFKSNPSA-N	406.574	3.949	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC1CCN(C2CCCCC2)CC1	765524165	AZFNYGHMQLNLOC-UHFFFAOYSA-N	410.356	3.751	10	20	HHCD	
C[C@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCC2)c(F)c1	765621222	AOTRVUHIFYWQTC-FYSMJZIKSA-N	424.520	3.721	10	20	HHCD	
CNS(=O)(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C	766095178	CAFCOQXCZIJAMU-UHFFFAOYSA-N	415.490	3.702	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NC3CCN(c4ccccn4)CC3)C2)cc1	766238689	WONQKKBZTCABLY-GOSISDBHSA-N	402.489	3.910	10	20	HHCD	
Cc1cc(CC(=O)OCCCc2nc3ncccn3n2)c(C)n1-c1ccc(Cl)cc1	768832411	USDPUVPHZREWQT-UHFFFAOYSA-N	423.904	3.904	10	20	HHCD	
COC(=O)c1sc(N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)nc1Cl	771256707	GTOKBVICVISHHY-OAHLLOKOSA-N	409.939	3.835	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(O)(Cc2cccc(F)c2)CC1	771291811	MNXKRTHFDQPBTN-UHFFFAOYSA-N	411.521	3.705	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1	771769611	XAEIYPOYGGWSOH-DEOSSOPVSA-N	404.558	3.869	10	20	HHCD	
CS[C@@H]1CCCCN(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	772261839	QODXVGWSONHHSG-CYBMUJFWSA-N	424.478	3.728	10	20	HHCD	
C[C@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(N(C)C)cc1	773001622	VPMDGQUEJVUIFA-INIZCTEOSA-N	400.544	3.960	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2cnn(-c3ccccc3Br)c2)c1O	775031100	BEZYXSIDSCQBAE-UHFFFAOYSA-N	419.235	3.869	10	20	HHCD	
CCN(CC)C(=O)COc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775476821	HYUBCISCDBGSJU-KRWDZBQOSA-N	412.534	3.883	10	20	HHCD	
Cc1cc(Br)cc(CN2CCN(c3ncnc4sccc34)CC2)c1O	775647820	BEEDAUPEONNOEV-UHFFFAOYSA-N	419.348	3.790	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1Cl	775680354	PUTYRCMJHVCHDE-CYBMUJFWSA-N	405.882	3.841	10	20	HHCD	
CN1CCc2cc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc21	778935278	KSEVVYAGRFMJOF-QGZVFWFLSA-N	401.457	3.679	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2	780494686	AXXNHHWRFUHOEI-WMZHIEFXSA-N	401.551	3.748	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4cc(C)c(C)cc4o3)cc2)CC1	786256695	UUUJCTZWLASIBL-UHFFFAOYSA-N	405.498	3.648	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(O)ccc1C(F)(F)F	789976577	MPBBAYGKCUIHTP-UHFFFAOYSA-N	408.420	3.550	10	20	HHCD	
Cc1cc(C(=O)CN2CCn3cnnc3[C@H]2C)c(C)n1-c1ccc(F)c(Cl)c1	792379455	HNIVKJRGYSRQHL-CQSZACIVSA-N	401.873	3.738	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1OC	793298627	XYJDMJJZSJWMPH-SFHVURJKSA-N	414.502	3.548	10	20	HHCD	
COCCC1(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1	794165480	UABHZSVSNCAFQL-SQFISAMPSA-N	424.613	3.805	10	20	HHCD	
CN(C)c1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)NC(=O)OC(C)(C)C)cc1	795226892	JOTOAHKXLNTPTM-KRWDZBQOSA-N	401.467	3.734	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(-c2cc3ccccc3o2)n1C	800767677	KPCRSDQHAFJCES-UHFFFAOYSA-N	403.486	3.701	10	20	HHCD	
CC[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)cc(Cl)c1O	806148142	CVHIMXBXWWQSDK-BXUZGUMPSA-N	424.371	3.636	10	20	HHCD	
NC(=O)CSc1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806201529	HXDXRIYKEKHKCJ-UHFFFAOYSA-N	400.287	3.598	10	20	HHCD	
CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1	808101482	ARHRVFIQXUJZAR-UHFFFAOYSA-N	424.327	3.684	10	20	HHCD	
COc1ccc(CS(C)(=O)=O)cc1NCc1ccccc1OCc1cccnc1	809695517	NQUZFUWIJRKLGM-UHFFFAOYSA-N	412.511	3.826	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc([C@@H]2CCOC2)cc1	815587851	VQKAGQCBPNCAFO-HXUWFJFHSA-N	409.530	3.632	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(F)cc1Cl	821191287	MGGDPGRZQBQLJT-UHFFFAOYSA-N	408.234	3.816	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(Cc4csc(C)n4)CC3)c2C)cc1	915265501	HDKHLHDAPQMUSC-UHFFFAOYSA-N	424.570	3.826	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1	916216199	RJNIMBMLOAMRHP-XMMPIXPASA-N	424.589	3.666	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCN(C(C)=O)CC2)cc1	916557357	MZCXMJOQPMQTRF-UHFFFAOYSA-N	409.530	3.553	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3ncnc4sc5c(c34)CCCC5)cc2)C1	917391088	KNUURLVNWYSODK-MRXNPFEDSA-N	421.570	3.884	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C2CC2)cc1	918121183	DWFMAOAWOKYJIM-JTHBVZDNSA-N	420.557	3.647	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C2CC2)cc1	919708515	HUPXQVKJZHLGGL-OAQYLSRUSA-N	411.933	3.950	10	20	HHCD	
Cc1c(CC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)nnn1-c1ccccc1	919993185	YKLLADZFGKXZAQ-UHFFFAOYSA-N	413.525	3.885	10	20	HHCD	
Cc1cc(C(=O)NCC(C)(C)N2CCN(C)CC2)c(C)n1-c1cccc(Cl)c1	1251847136	YNGKZMALGCGJKJ-UHFFFAOYSA-N	402.970	3.503	10	20	HHCD	
COc1ccc(Cl)cc1CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	1322771144	KLSQIKJSQUFBOY-IBGZPJMESA-N	418.921	3.988	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1COc2ccc(F)cc2C1	1329036131	IJXDIQWOLTYEDF-VQIMIIECSA-N	418.896	3.517	10	20	HHCD	
CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)[nH]n2)CC1	1816663846	RHZJHGPXWUUNCE-AWEZNQCLSA-N	418.881	3.580	10	20	HHCD	
Cc1cc(C(=O)CSc2nncn2C2CC2)c(C)n1-c1ccc2c(c1)OCCO2	10648840	YWIWXOPQMICCAS-UHFFFAOYSA-N	410.499	3.767	10	20	HHCD	
C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	10649236	QGWGGABAZGHCGK-GFCCVEGCSA-N	418.478	3.508	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c(C)n1-c1ccccn1	108161150	NLVMGEYSHLTRQU-IRXDYDNUSA-N	405.502	3.750	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1F	116151383	GAWQHSQSOSGJQN-UHFFFAOYSA-N	400.429	3.720	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)c1cc(-c2ccccc2)nc2ncnn12	301857416	JDZFMVWVCCQROW-IBGZPJMESA-N	401.470	3.683	10	20	HHCD	
O=C(Nc1ccccc1)c1ccc(N(Cc2ccccc2O)C[C@H]2CCCO2)nn1	301962017	SMJYVABRUXBLFX-LJQANCHMSA-N	404.470	3.620	10	20	HHCD	
CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCOc2cc(N(C)C)ccc21	510119179	MYFKDQGBYWGZER-GOSISDBHSA-N	421.950	3.648	10	20	HHCD	
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1ccc2c(c1)CCCN2C	726250378	WFWPCFGCBVEDIL-HSZRJFAPSA-N	421.589	3.660	10	20	HHCD	
CN(CCCNC(=S)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccccc1	726463157	QDHUGMPVSVYRLJ-HXUWFJFHSA-N	412.559	3.617	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccnc1N1CCCC1	726565222	HFTAXBKLIVQPEJ-UHFFFAOYSA-N	416.472	3.682	10	20	HHCD	
CCOC(=O)N(C)C1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1	726953956	NMJNQCMYWCZCRX-UHFFFAOYSA-N	413.518	3.796	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1	729034653	RMRGGJIGAIJXRL-ZDUSSCGKSA-N	405.882	3.774	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1	729596913	FQBKFBBKZXUVLT-IBGZPJMESA-N	418.582	3.931	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCSc3ccccc3)cc2F)CC1	730194915	SGUDGBQEZGPWMG-UHFFFAOYSA-N	401.551	3.766	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@H](C(N)=O)c1ccc(F)cc1	731036442	LCFMNIYUDVTCII-FQEVSTJZSA-N	413.493	3.830	10	20	HHCD	
CCCCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	731221123	CBAMBCSERVYBPB-SIKLNZKXSA-N	402.583	3.538	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	734692795	CGAUTKCGFFJEAD-UHFFFAOYSA-N	423.856	3.553	10	20	HHCD	
CCOC(=O)N1[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1c1ccc(C)o1	736547656	RNKBPUHHDAZRQL-WOJBJXKFSA-N	413.518	3.975	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1NC(C)=O	741136403	WECRZOCBXOYUEQ-UHFFFAOYSA-N	417.531	3.835	10	20	HHCD	
CSCCCN1C(=O)/C(=C/c2cc3c(cc2OC(F)F)OCO3)SC1=S	743279667	JYVMUOJOZJXHSQ-MLPAPPSSSA-N	419.496	3.971	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1	743658851	AYCJYRTVPUGRSY-DAYGRLMNSA-N	421.538	3.845	10	20	HHCD	
C[C@H](C(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1	744349258	DSWXRFHOJNFTQU-NVAYWJMMSA-N	418.453	3.591	10	20	HHCD	
COc1ccc(OCCOC(=O)c2sc3nc(C)cc(C)c3c2N)c([N+](=O)[O-])c1	744576793	XMKLAXXLXICLSI-UHFFFAOYSA-N	417.443	3.648	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(CC)Cc3ccc(C(F)(F)F)cc3)nc12	746140096	PTORTJLPPJIDKJ-UHFFFAOYSA-N	422.407	3.653	10	20	HHCD	
CCc1cnc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	747495246	HXSKHRJICQBEGD-GJZGRUSLSA-N	420.554	3.800	10	20	HHCD	
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	750287505	RRTDAUPEXNTZMH-KJNHESKOSA-N	405.608	3.802	10	20	HHCD	
O=c1ccc2cc(S(=O)(=O)Nc3nc(-c4cc(F)ccc4F)cs3)ccc2[nH]1	751126192	GFYAFJVKFVOLHZ-UHFFFAOYSA-N	419.434	3.731	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2c(Cl)nc3ccccn23)cc1	751403060	BQXRXUWYXQZXRQ-GOSISDBHSA-N	412.921	3.875	10	20	HHCD	
CC1CCC(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1	751931862	UKSGTMZUWRXRGV-XOYHFGRZSA-N	401.532	3.556	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1[N+](=O)[O-]	753977646	HGHUQDIGZLQMKV-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
COc1cc(NC2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)cc(OC)c1	754665610	GRSOWGJGZWKJID-UHFFFAOYSA-N	402.466	3.828	10	20	HHCD	
COCCN(CCN[C@@H](C)c1cc(Br)ccc1O)C(=O)OC(C)(C)C	756778018	BUZNOEAFVVHVIA-ZDUSSCGKSA-N	417.344	3.689	10	20	HHCD	
CCS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	756917722	FEMSBPPOBSYKCN-UHFFFAOYSA-N	414.571	3.670	10	20	HHCD	
Cc1c(NC(=O)NCCCSc2nccs2)cccc1C(=O)N1CCCC1	758584956	CCPGIJRKUNFCBG-UHFFFAOYSA-N	404.561	3.991	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1cc(Br)cc(C(F)(F)F)c1	759073954	ABLRNIMCEPGOLB-KPKJPENVSA-N	421.238	3.770	10	20	HHCD	
COC(=O)C1(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CCSCC1	759903690	WZNMIUYSSGEPGR-UHFFFAOYSA-N	406.935	3.916	10	20	HHCD	
O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccc(N2CCSCC2)cc1	761099129	NEJVUQLRUBTKTA-UHFFFAOYSA-N	415.946	3.858	10	20	HHCD	
CN(C)CCOc1ccc(N(C)Cc2cnc3ccc(Br)cn23)cc1	761222703	LUGSUJLZEFNPMB-UHFFFAOYSA-N	403.324	3.674	10	20	HHCD	
Cc1cc(=NCc2cccc(Br)c2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1	764934802	MHNXBWVTBSOOSY-UHFFFAOYSA-N	415.247	3.862	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1F	765331016	ZMJXEIPQYXPUKS-XMSQKQJNSA-N	413.493	3.586	10	20	HHCD	
COc1ccc(C)cc1-n1ccc(C(=O)NCc2cccc(Br)c2O)n1	765751761	SCLRIFCMQIIVHJ-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NC2CCN(Cc3ccccn3)CC2)C1	765994593	PQSAHNHERUBJQC-QFIPXVFZSA-N	414.981	3.659	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Br)ccc1Cl	766047418	HSHKGGFYEIIWCO-UHFFFAOYSA-N	404.669	3.812	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2csc(S(C)(=O)=O)c2)c(C)n1-c1ccccc1	767056060	LUZMUDBGYQEDGV-UHFFFAOYSA-N	417.508	3.599	10	20	HHCD	
O=C(Oc1ccccc1)N1CCCN(Cc2cc(Br)ccc2O)CC1	769302010	KVXRWYBGVDGHCV-UHFFFAOYSA-N	405.292	3.861	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)c1O	769504364	WLGWFESUEBYXIM-DBVUQKKJSA-N	422.525	3.801	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCSCC(F)(F)F)cc2F)C[C@H](C)O1	769711974	JYJMJPPSFJWEFB-STQMWFEESA-N	423.476	3.534	10	20	HHCD	
CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCc1ccc(N2CC=CC2)cc1	770772663	BJLBSMHGTYWRBL-UHFFFAOYSA-N	419.573	3.906	10	20	HHCD	
CCN1CCN([C@@H](C)CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	772693490	MNVNWHUQFZWXDD-IBGZPJMESA-N	422.577	3.924	10	20	HHCD	
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773743324	CGKKQKHTWVJHJV-NWDGAFQWSA-N	410.283	3.925	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1	774307807	HWPUAZUODNYMQW-NRFANRHFSA-N	413.518	3.743	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O	774821035	TVXIBQKUTKERRE-UHFFFAOYSA-N	411.380	3.650	10	20	HHCD	
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	775402447	BBBOUBJKKGIFDO-UZUQRXQVSA-N	420.557	3.795	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCOCC2)nc1)c1cc(Br)ccc1O	775487683	NLRPSHKNLPRXOT-KRWDZBQOSA-N	406.324	3.627	10	20	HHCD	
CCNC(=O)COc1cccc(CN[C@H](CC)c2cc(Br)ccc2O)c1	775490914	FDBAWURJKVSAEK-GOSISDBHSA-N	421.335	3.911	10	20	HHCD	
CC[C@@H](NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccccc1O	775523549	KRUKSMRJKWVBPX-HXUWFJFHSA-N	406.523	3.815	10	20	HHCD	
Cc1ccc(-c2c[nH]cc2C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1	778430864	UQVMJXCBNJPPSY-UHFFFAOYSA-N	411.527	3.933	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c1O	779036721	QTGAJLSFXYVMJI-JVPBZIDWSA-N	411.384	3.882	10	20	HHCD	
CC(=O)c1cc(Br)cc(F)c1OCC(=O)NCc1ccc(N(C)C)cc1	783923990	FVNQCXDYTXITGD-UHFFFAOYSA-N	423.282	3.552	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccc4ccccc4c3)cc2)CC1	786258648	FULCUENKBVTNNV-UHFFFAOYSA-N	415.537	3.757	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3cccc(Cl)c3)cc2)CC1	786262497	OHWPEMFMDDVBMK-KRWDZBQOSA-N	413.949	3.504	10	20	HHCD	
COC[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1	787374336	QOHAAGNWBOSZAH-NRFANRHFSA-N	417.937	3.958	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1c(Cl)cccc1Cl	787878324	QJPKWFRFZMBIPR-UHFFFAOYSA-N	406.313	3.526	10	20	HHCD	
COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	788933360	PKBCULKKKURGDC-JPYJTQIMSA-N	421.541	3.521	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Oc3cccc(-c4ncn(C)n4)c3)ccc21	789541462	YPMRRGNFVQAQJK-UHFFFAOYSA-N	404.470	3.919	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)O)cc(Br)c1C	790416354	UXKXEVMCGBGSOD-UHFFFAOYSA-N	414.277	3.525	10	20	HHCD	
C[C@@H](NCc1cccc(I)c1)c1ccc(N2CCOCC2)cc1	790531043	TTXYZZYWFIQNRC-OAHLLOKOSA-N	422.310	3.979	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(N4CCOCC4)cc3)C2)CC1	793603924	AQNPGZDCLAXPIY-UHFFFAOYSA-N	415.578	3.746	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NOC/C=C\Cl	794296802	OQIZBPDWFGLEBN-JWUZPVDZSA-N	402.950	3.530	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(O)c1	794387742	LFKZMSBCIDDIOF-KRWDZBQOSA-N	423.296	3.629	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O	802303777	RAVILRAOSVOTTA-NRFANRHFSA-N	409.530	3.813	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCOC(C)(C)C1	802529981	OJMOUDYOZPIOTF-UHFFFAOYSA-N	409.534	3.614	10	20	HHCD	
Cc1ccc([C@H]2CCCCCN2C(=O)C(=O)NCCCSc2nccs2)o1	806280443	DPSFPRDXKSFOCO-OAHLLOKOSA-N	407.561	3.787	10	20	HHCD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)s1	808526716	SQUGQTADTPHHMH-UHFFFAOYSA-N	408.530	3.643	10	20	HHCD	
C[C@@H](NCc1ccncc1OCCCN(C)C)c1cc(Br)ccc1O	808718637	PTFGNZMFNSRMEA-CQSZACIVSA-N	408.340	3.731	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1OCCc2sccc21	813583756	AYOOSIXDAQGKJH-FOIQADDNSA-N	417.600	3.803	10	20	HHCD	
COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	821006658	UVYJLLLYEVHMLX-OAQYLSRUSA-N	410.474	3.798	10	20	HHCD	
O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc(N2CCOCC2)cc1	912754456	HOAQOSNYZQBLND-AQTBWJFISA-N	413.271	3.630	10	20	HHCD	
CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	916667727	XNJFXTVNGVJJBC-INIZCTEOSA-N	415.519	3.895	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC12CC3CC(CC(C3)C1)C2	918159915	PLVGYBGNIHZTKS-UHFFFAOYSA-N	415.553	3.802	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nnnn1-c1ccc(OC(F)F)cc1	918771970	UZTPEKKLTCLRSR-UHFFFAOYSA-N	416.476	3.740	10	20	HHCD	
C/C=C/C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1	1791218173	KQURVSUQUUHCMN-MMVJQRGCSA-N	408.454	3.527	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1	97494601	HKVLXEHIZKDQLK-UHFFFAOYSA-N	418.335	3.609	10	20	HHCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	109351924	NCJLFGAFITXTKV-JSGCOSHPSA-N	420.351	3.890	10	20	HHCD	
CCCN(Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1)Cc1ccccc1O	110084321	ZAQCLYFHFNJZCO-UHFFFAOYSA-N	412.515	3.917	10	20	HHCD	
C[C@H](NC(=O)Nc1nc(C(F)(F)F)cs1)c1ccc(N2CCOCC2)cc1	141584001	YGLPKGKDEIEVHX-NSHDSACASA-N	400.426	3.881	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cnc(C(C)(C)C)s3)CC2)cc1	237273146	GPJIJSWZPIPFKO-UHFFFAOYSA-N	402.608	3.751	10	20	HHCD	
Cc1c(CNC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)n(C)c2ccccc12	472288678	XOUMRTDQULVCRK-IBGZPJMESA-N	406.534	3.851	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n(C)c2ccccc12	511978306	UHRXPDIBKDHUEX-HXUWFJFHSA-N	418.541	3.520	10	20	HHCD	
Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)n1	544003237	WXOZBJBWUOPRBU-UHFFFAOYSA-N	420.469	3.788	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)CC2)cc1	726710373	WSFVHIUFFOOBOW-GOTSBHOMSA-N	409.530	3.884	10	20	HHCD	
COc1ccc2c(c1)C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)CO2	728839548	RMCWPILTXBCXJU-KRWDZBQOSA-N	422.447	3.903	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCNC(=O)c2ccsc2)cc1	728839692	WXPMPSDZQZMGBE-UHFFFAOYSA-N	413.465	3.525	10	20	HHCD	
CC(C)COc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	731365124	FOKZZILYMOJHRG-UHFFFAOYSA-N	400.494	3.752	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C[C@@H](C)c3ccccc3C)CC2)cc1	734770342	JULWVIYIRNYAEM-OAQYLSRUSA-N	409.574	3.826	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc(-c4nccn4C)c3)CC2)cc1	736973939	UBTFPMUYDWKPMR-UHFFFAOYSA-N	405.502	3.886	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1F	740003933	CTACHABKWLNRDR-UHFFFAOYSA-N	421.582	3.790	10	20	HHCD	
CN(C)C(=O)c1cc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccn1	741072337	VBNRDUJVCATXAE-UHFFFAOYSA-N	409.534	3.874	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2cnn(C)c2)c(C)n1-c1ccc(Br)cc1	741310816	KAACSAPEWGDKOR-UHFFFAOYSA-N	416.275	3.630	10	20	HHCD	
Cc1noc(-c2ccccc2C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	741909433	QDFZZKAGPURKRY-GJZGRUSLSA-N	424.476	3.728	10	20	HHCD	
CC(C)C(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc1	742280495	YIXKYYJAWCABQC-UHFFFAOYSA-N	418.584	3.557	10	20	HHCD	
C[C@H](NC(=O)c1ccc(F)c(Br)c1)c1ccc(N2CCOCC2)cc1	742584207	WFRFBLBJWHDPQJ-ZDUSSCGKSA-N	407.283	3.916	10	20	HHCD	
CCO[C@H](C)c1noc(CN2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)n1	743378382	VZCUCZTWJYEJJF-QGZVFWFLSA-N	402.539	3.622	10	20	HHCD	
Cc1nc(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1	743546529	NQXQUQARSTXJNH-CQSZACIVSA-N	410.490	3.564	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Oc3ccccn3)c2)cc1	743890885	DBWVYRAAAZCXPA-UHFFFAOYSA-N	418.497	3.975	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1	745828737	UHXQVGSEUPMDFN-UHFFFAOYSA-N	409.578	3.595	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cc(C)n(-c4ccccn4)c3C)C2)c1	748436414	BODIHUGMEWYWJW-SFHVURJKSA-N	420.513	3.515	10	20	HHCD	
Cc1c(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cccc1[N+](=O)[O-]	749259215	VIFWENIJVIZRGC-GOSISDBHSA-N	417.893	3.586	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)COc3ccc(N4CCCC4)cc3)cc2)C[C@@H](C)O1	749791045	LRIQDPJDAPYRDQ-KDURUIRLSA-N	409.530	3.918	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)CC2)cc1F	753858529	VWGIQBXCMHHLFQ-HNNXBMFYSA-N	405.901	3.945	10	20	HHCD	
C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(Br)cc1O	756355005	FEBFUDRIGUFYBK-CRAIPNDOSA-N	405.336	3.706	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H](C)c2ccc(C)c(C)c2O)s1	756536797	VLVJJSDBOAMOIZ-INIZCTEOSA-N	410.605	3.994	10	20	HHCD	
COc1cccc(OC)c1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	757363797	LTHRPFQWKZABPV-UHFFFAOYSA-N	401.418	3.660	10	20	HHCD	
CCCC[C@H](CC)CNC(=S)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	758919137	DINYQJPBRBXJDH-KRWDZBQOSA-N	423.623	3.925	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1ccc(Cl)c(C(F)(F)F)c1	759590596	XGHNGVJCRZSQGG-QHHAFSJGSA-N	415.751	3.965	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)c1	761617434	RJLZIZZFHOFTJJ-UHFFFAOYSA-N	417.340	3.639	10	20	HHCD	
O=C(Cc1cccc2cccnc12)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761982937	OHZKYSSEZLYILR-HXUWFJFHSA-N	409.917	3.917	10	20	HHCD	
CCc1noc2ncc(S(=O)(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc12	762520517	HIJHMFJHJQKKOX-UHFFFAOYSA-N	414.531	3.596	10	20	HHCD	
C[C@@H](NC(=O)N1CCc2c(F)cc(F)cc2C1)c1ccc(N2CCOCC2)cc1	765699566	XOZOTUXMSGXHFU-OAHLLOKOSA-N	401.457	3.630	10	20	HHCD	
COc1ccc(N2CCN(Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1F	768725112	YZMDQXWQABRQIL-NRFANRHFSA-N	400.494	3.714	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1	769121795	UFFBCXUATQSTEO-ZEQRLZLVSA-N	413.525	3.987	10	20	HHCD	
Cc1cccc(NC(=O)N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)c1	769230065	XDRWDFQJPQQAEC-UHFFFAOYSA-N	404.854	3.612	10	20	HHCD	
CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769401641	NSMQKZPGTBPYKV-GOSISDBHSA-N	409.914	3.957	10	20	HHCD	
C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	770173582	OWFOYASHELSDEZ-LJQANCHMSA-N	422.577	3.924	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)[C@@H](C)CCSC)c([N+](=O)[O-])c1Br	771144003	MYQUAIXBZFZYMR-QMMMGPOBSA-N	408.274	3.852	10	20	HHCD	
Cc1nc2ccccc2n1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	772258213	JDPPVEHAHCAZFS-CALCHBBNSA-N	424.520	3.804	10	20	HHCD	
C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)NCc1ccc(N(C)C)cc1	773657872	IGTNISXAZLGTRN-SFHVURJKSA-N	403.530	3.721	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSCc1ccc(Br)cc1	773748674	NKLWGVYVFUVBDR-LBPRGKRZSA-N	410.333	3.841	10	20	HHCD	
Cc1ccc(S(=O)(=O)CCCN(Cc2ccccc2O)C[C@H]2CCCO2)cc1	774679957	NBWFJLSIUYPNBH-HXUWFJFHSA-N	403.544	3.546	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1	775370005	JYMUEJWSTUVLIO-SFYZADRCSA-N	404.335	3.774	10	20	HHCD	
C[C@H](NC[C@H](O)c1ccc(F)c(Br)c1)c1ccc(N2CCOCC2)cc1	775649256	JTQIUCSEAVOTQN-XOBRGWDASA-N	423.326	3.809	10	20	HHCD	
O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@@H]1c1ccc(C(F)(F)F)cc1	775727350	CIJCZGQEDKHSFB-OAHLLOKOSA-N	402.775	3.877	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1cc(Br)cs1)c1ccc(N(C)C)cc1	775836963	PTBSYIGFEJNELQ-ZDUSSCGKSA-N	410.381	3.886	10	20	HHCD	
O=C(Nc1cnc2c(c1)COCC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	777734130	NZIDCKDJAZZILI-UHFFFAOYSA-N	418.444	3.546	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	778621460	YKCGISABQSIUFT-PKOBYXMFSA-N	416.566	3.732	10	20	HHCD	
C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(N(C)C)c(F)c1	779190802	HRWUYTWMJRBQQH-INIZCTEOSA-N	405.539	3.625	10	20	HHCD	
COc1ccc(Cn2nccc2NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(OC)c1	779468370	VFDFMHYKODQCPI-MRXNPFEDSA-N	423.517	3.897	10	20	HHCD	
CCCc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)n(C)n1	783487176	VLZRQISDARKGNO-MRXNPFEDSA-N	405.502	3.688	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2ccnc(C)n2)c1	784025930	OHSPVDCVGGWHRY-UHFFFAOYSA-N	404.470	3.535	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)cc1	785427693	GMSFZSJSUQVUKU-UHFFFAOYSA-N	413.949	3.504	10	20	HHCD	
COc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	786759596	JAZGEQSKCWPNGO-KRWDZBQOSA-N	410.514	3.940	10	20	HHCD	
CC(C)(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1	788250381	RUVYMANWUSXCOX-NRFANRHFSA-N	409.505	3.722	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1	791418089	VXFAMYXUDXLELS-UHFFFAOYSA-N	418.302	3.788	10	20	HHCD	
CCn1cc(OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1	792590794	RRMHHVDUCNZSNV-ZROIWOOFSA-N	407.542	3.552	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN(C)[C@H](C)CO)sc(C)c1-c1ccccc1	792930801	KPXPGCYCZIVPKN-CQSZACIVSA-N	404.532	3.541	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(Br)cn1	792951481	GMARSNZGGMBMCX-CYBMUJFWSA-N	403.324	3.787	10	20	HHCD	
CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2cccc(Br)c2O)c1	796431548	SJEGUTTYGQHIMZ-GFCCVEGCSA-N	413.337	3.844	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1NCCCSc1nccs1	796771986	NYESUMDGHCTURV-ZNMIVQPWSA-N	401.598	3.533	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC3CCN(C(=O)OC)CC3)ccc21	796957224	QLFPFYQOQKVCIH-UHFFFAOYSA-N	402.491	3.540	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3nnc4n3CCCC4)cc2Cl)C1	799918690	XHMSNYHOMKUMRV-OAHLLOKOSA-N	416.957	3.504	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cc1	800011982	FVVZPKUZSLTMMJ-MRXNPFEDSA-N	408.271	3.587	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1	801945412	GPHUZSAKJVUQTO-NTKDMRAZSA-N	421.545	3.757	10	20	HHCD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)s1	808526466	QXJVSDJYLHVTLI-UHFFFAOYSA-N	422.557	3.951	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCCc4occc4C3)cc2F)C[C@H](C)O1	812010687	ZKMZMFGCTDROTH-HOTGVXAUSA-N	401.482	3.690	10	20	HHCD	
COc1cccc(O)c1CN[C@H](C)c1ccc(Br)cc1OCCCO	812783895	MIOFKDXDBMGAKG-CYBMUJFWSA-N	410.308	3.775	10	20	HHCD	
Cc1nc(SCC(=O)OCC(=O)c2ccc(O)c(O)c2)c2c(C)c(C)sc2n1	916608689	DNCHZCOJQNAKKD-UHFFFAOYSA-N	418.496	3.546	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCc2ccccc21	916622573	APWSNFPMXNFGOE-RXVVDRJESA-N	409.530	3.534	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1OC	918294198	MSBYJHIFJFMPHE-UHFFFAOYSA-N	424.453	3.560	10	20	HHCD	
CC(C)(C)[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	919723564	CQOWUQFPJQCOSV-HSZRJFAPSA-N	413.537	3.656	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(N2CCOCC2)cc1	920872262	KBCDHDJAIDBMEZ-GOSISDBHSA-N	422.529	3.642	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H]3OCCC[C@H]3C2)c(C)n1-c1ccc2c(c1)OCCO2	1319584806	UIAPFUNXNHGVDV-AVRDEDQJSA-N	410.514	3.549	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)NC1(C2CC2)CCOCC1	1324002819	AQSZCMAPRGYWBK-INIZCTEOSA-N	409.477	3.515	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(N(C)C)nc4ccccc34)CC2)cc1	1325338060	HJBGWSDQRXPIQZ-UHFFFAOYSA-N	404.514	3.662	10	20	HHCD	
CCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1OCC	13343608	SKAMZLLENKJSMX-VBKFSLOCSA-N	409.529	3.940	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(Nc3ccccc3F)s2)cc1	18244967	WRPIDOTVZHDXLW-UHFFFAOYSA-N	417.535	3.895	10	20	HHCD	
O=C(Nc1ccccc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1	32098144	FJXOZOHNPZZESF-UHFFFAOYSA-N	410.480	3.744	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccnc(OCc2ccccc2)c1	108789811	QQPGSOSGADJZIE-UHFFFAOYSA-N	417.509	3.769	10	20	HHCD	
COc1ccc(N2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1	195700715	RNGUWWREUAHEHE-UHFFFAOYSA-N	415.342	3.903	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1Cc1ccccc1	303695464	NCQCXCFSAGMDNU-NRFANRHFSA-N	405.498	3.767	10	20	HHCD	
CCOc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc(OCC)c1OCC	437021928	UBMORJUUSFKIMS-UHFFFAOYSA-N	414.502	3.988	10	20	HHCD	
Cn1ccc2c(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)cccc21	726936758	IEKFQYRQPBGGMM-UHFFFAOYSA-N	417.431	3.964	10	20	HHCD	
O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cnn(Cc2ccccc2)c1	727247323	ZPKUTJUDKIDDJX-UHFFFAOYSA-N	424.507	3.748	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3nc(Cc4ccccc4)no3)ccc21	728519188	XREWORIGNJDWJJ-UHFFFAOYSA-N	418.497	3.808	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)c1	729535414	QNPLZGMQWAMUMQ-LBPRGKRZSA-N	401.463	3.939	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](c3cccc(Cl)c3)N(C)C)CC2)cc1	732283376	XEFQZNBNEBPDBM-OAQYLSRUSA-N	401.938	3.737	10	20	HHCD	
COC(=O)c1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1F	732422620	PZEMSVYWSBUOPB-INIZCTEOSA-N	402.422	3.531	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1-c1ccc(F)cc1	735822022	MDSNAFKGEODVAZ-KRWDZBQOSA-N	423.448	3.863	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2nc(O)oc2c1	742804856	BXPODHGIBUBFFT-ZDUSSCGKSA-N	403.385	3.534	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1	743706356	ZMNWPQZLTFUUCI-NEPJUHHUSA-N	400.410	3.711	10	20	HHCD	
CC(C)n1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1	747554571	DRLDYCOYKNYXCE-UHFFFAOYSA-N	411.428	3.641	10	20	HHCD	
CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	748683688	FBGIHFBLDIMANJ-IAGOWNOFSA-N	424.478	3.774	10	20	HHCD	
O=C(COC(=O)c1ccc2nncn2c1)Nc1ccc(N=Nc2ccccc2)cc1	749412222	VLUFTMUEIRJGCU-UHFFFAOYSA-N	400.398	3.940	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1c(F)cccc1OC(F)F	752019989	SBNLMCKKBIXSDH-UHFFFAOYSA-N	423.435	3.605	10	20	HHCD	
O=C(c1ccc(N2CCC(O)CC2)cc1)N(Cc1ccco1)Cc1ccccc1O	752087114	CKSOHXUIGJJVNI-UHFFFAOYSA-N	406.482	3.789	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCC3(CCO)CCCCC3)cc2F)C[C@@H](C)O1	753350312	ORSAGRFPFRFAIX-QZTJIDSGSA-N	421.557	3.571	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3cccc4nonc34)n2)cc1	753919406	VTWKXICPMIRBFZ-UHFFFAOYSA-N	402.457	3.546	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(C)cc3Cl)CC2)cc1	756439780	WOVLWJPXXHEKFV-UHFFFAOYSA-N	401.938	3.599	10	20	HHCD	
C[C@H](NCCCNC(=O)c1ccc(F)cc1)c1cc(Br)c(F)cc1O	756708819	RSGKKBHIKUPUDP-NSHDSACASA-N	413.262	3.904	10	20	HHCD	
CCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	758159853	UVACTEOAUIXUML-UHFFFAOYSA-N	414.571	3.915	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1	758713518	GSMREJXZUDCVJS-SFHVURJKSA-N	413.587	3.926	10	20	HHCD	
COc1cc(N2CCN(C(=O)C[C@@H]3CCc4ccccc4C3)CC2)cc(OC)c1OC	759239628	NTDSHHLRCPUTPN-GOSISDBHSA-N	424.541	3.556	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2Br)cc1F	760219185	XRRXLTVHCFQMDH-UHFFFAOYSA-N	417.282	3.770	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c(C)n1-c1ccccn1	762376487	RCQBLBVOMNKSMQ-LJQANCHMSA-N	406.461	3.554	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](CCO)c2ccc(OC)cc2)cc1F	764400658	KIKRHZAOQRVXJU-FQEVSTJZSA-N	403.498	3.603	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3nc(C4CC4)cs3)cc2F)C[C@H](C)O1	765679272	QRBXQCPJGBNZRU-KBPBESRZSA-N	418.538	3.773	10	20	HHCD	
COC1CCN(C(C)(C)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1	765861902	ULPYNFQDEAMRLH-KRWDZBQOSA-N	410.002	3.717	10	20	HHCD	
C[C@H](NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(N2CCOCC2)c(F)c1	766215969	CNGIJOXWAVRRNX-KRWDZBQOSA-N	412.484	3.880	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1	767057822	OPHKXXZHFWAVIC-UHFFFAOYSA-N	407.514	3.697	10	20	HHCD	
COc1cc(OC)c(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)c(OC)c1	768227343	FTSGWZROCKCCNF-UHFFFAOYSA-N	401.459	3.526	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(SC)cc3OC)CC2)cc1F	772659259	YRPLBQXYLBGPRW-UHFFFAOYSA-N	405.495	3.919	10	20	HHCD	
COc1ccc(CN2CCCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1	773613371	QJDGHNDNEJIJOE-IBGZPJMESA-N	410.562	3.740	10	20	HHCD	
Cc1nc(SCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c2c(C)c(C)sc2n1	773741579	TUXYLCXOVRQVMA-JTQLQIEISA-N	417.556	3.867	10	20	HHCD	
COCCN(Cc1cc(Br)cc(Br)c1O)CC(F)F	775674470	DALPGKUVHUYKSD-UHFFFAOYSA-N	403.061	3.631	10	20	HHCD	
COCCOc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccn1	776798959	BUGRLWCLGCFWPR-UHFFFAOYSA-N	409.486	3.608	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(OCC2CC2)cc1	777826061	GIKLLDRVWJPKOR-UHFFFAOYSA-N	403.862	3.650	10	20	HHCD	
COc1cccc([C@H]2C[C@@H](C)CN2C(=O)NCc2ccc(N3CCOCC3)cc2)c1	784240234	DBAHGJQQJRWHPE-WZONZLPQSA-N	409.530	3.825	10	20	HHCD	
Cn1nc(Br)cc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	785483704	QNEJGFREIJFGBD-LBPRGKRZSA-N	415.282	3.543	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1F	789509279	YSFVRYPTQDZYRK-UHFFFAOYSA-N	422.298	3.526	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2cc(Cl)ccc2F)cc1	789738115	QJCLIIAQZTURBF-UHFFFAOYSA-N	408.886	3.591	10	20	HHCD	
O=C(NC[C@H]1CCC2(CCCCC2)O1)N(Cc1ccccc1O)C[C@H]1CCCO1	790630088	JGJGDGWDWXZSPC-WOJBJXKFSA-N	402.535	3.965	10	20	HHCD	
CC(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	791846264	XUJDSQNVMGOSDL-QGZVFWFLSA-N	408.458	3.842	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCCCn2cc(Br)cn2)cc1	792039266	IRFHDYOWPUSCBW-UHFFFAOYSA-N	422.371	3.771	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ncccc2Br)cc1	793292855	HVIMTBGRTBVSLB-KRWDZBQOSA-N	418.335	3.732	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3cccs3)cc2Cl)C1	800344248	OXUVRWAQMWQGQY-CQSZACIVSA-N	405.951	3.684	10	20	HHCD	
Cc1cc(CC(=O)OCC(=O)N(C)c2nccs2)c(C)n1-c1ccc(Cl)cc1	801214324	BIQIPYQUSSGMHG-UHFFFAOYSA-N	417.918	3.953	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	805119783	SAQIOYJFBPXDSB-CYBMUJFWSA-N	418.321	3.898	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCc3nnc(C4CC4)o3)cc2Cl)C1	807209337	IDOLUDUWOADXSF-ZDUSSCGKSA-N	403.914	3.836	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21	807291538	YCRKZABUSXOYIR-XMMPIXPASA-N	415.537	3.748	10	20	HHCD	
O=S(=O)(NC[C@H]1CCCN(Cc2cc3oc4ccccc4c3cc2O)C1)C1CC1	808226531	NSIUEHKQJWIPIX-OAHLLOKOSA-N	414.527	3.585	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1	811822585	JWPNOTCXDYPJQD-UHFFFAOYSA-N	422.915	3.980	10	20	HHCD	
CCOCCCn1c(C2CCC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812194903	XSNGRSLGDGIGQK-UHFFFAOYSA-N	413.566	3.698	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@](C)(O)c1ccccc1	819525769	QNXMIABTAZXYJS-DEOSSOPVSA-N	412.530	3.673	10	20	HHCD	
CCOc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	920342954	LALTYZQBKMCRAD-CALCHBBNSA-N	415.509	3.837	10	20	HHCD	
C[C@@H]1CCC2=S=C(c3nnc(-c4ccc(S(=O)(=O)C(F)F)cc4)o3)C=C2C1	1322454038	RYYREHNXKOYAIB-SNVBAGLBSA-N	410.467	3.919	10	20	HHCD	
Nc1c(C(=O)Nc2cccc(N3CCCC3)c2)cc(Br)cc1[N+](=O)[O-]	1322737385	VCGKEAOKQVFPEY-UHFFFAOYSA-N	405.252	3.792	10	20	HHCD	
CN(Cc1ccc(C(N)=O)cc1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	1337911750	MQVMYOSPUUQBST-UHFFFAOYSA-N	408.546	3.896	10	20	HHCD	
CCOc1ccc(-c2noc(CCC(=O)Nc3c(Cl)ccc4nonc34)n2)cc1	1339439379	YHKNYHLFXYJXNE-UHFFFAOYSA-N	413.821	3.896	10	20	HHCD	
CN1CCN(c2ccc(CNCc3ccncc3OCc3ccccc3)cc2F)CC1	1347178300	FWEXURMEYAEMFU-UHFFFAOYSA-N	420.532	3.841	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O	13343646	VATGVCBYCVCUBS-WJDWOHSUSA-N	401.513	3.555	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2cnn(C(C)C)c2n1	145593544	SISHHIWJJGGPQO-KRWDZBQOSA-N	407.518	3.648	10	20	HHCD	
Cc1ccc(-n2ncc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2C)cc1	145632870	UNHYZUCFFHEZPO-GOSISDBHSA-N	404.514	3.817	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1F	303404013	RWUNAXIGOBZOMZ-OAQYLSRUSA-N	403.473	3.686	10	20	HHCD	
Cc1c(CNC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)n(C)c2ccccc12	471527308	BSVPENDNCNHDOI-UHFFFAOYSA-N	416.407	3.548	10	20	HHCD	
CN(C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc2c(c1)OCO2	677365989	GSBLDAMRNOIVKL-UHFFFAOYSA-N	412.449	3.999	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(-n3cnnc3)cc2)cc1	725883066	MQULWARHHJGWSZ-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2Cl)cc1C	727358606	YZVUDZCXOPJPGD-ZHACJKMWSA-N	414.936	3.823	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C/c3nccn3CC(F)(F)F)SC2=S)c1	728696509	TYMNVWNJVAZJPT-XFFZJAGNSA-N	413.402	3.549	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1sccc1S(=O)(=O)C(F)F	731005545	RIHRLVNDMRWANK-UHFFFAOYSA-N	414.499	3.665	10	20	HHCD	
C[C@H](C(=O)Nc1nccs1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	731036401	JTGKJGJZAGWFHD-CQSZACIVSA-N	416.547	3.948	10	20	HHCD	
Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1C(=O)NC(C)C	731281356	HZTHEDBXDVPDRR-UHFFFAOYSA-N	424.545	3.634	10	20	HHCD	
NC(=O)c1ccc(-c2nc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cs2)cc1	732202664	BDBUDTFZZDFLNU-FQEVSTJZSA-N	423.538	3.796	10	20	HHCD	
O=C(NC[C@@H]1CCCN1Cc1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1	734217570	KKTPKJYPVBNWRQ-XZOQPEGZSA-N	423.557	3.747	10	20	HHCD	
Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c(C)n1-c1ccccn1	737990395	JVURYZGQIMRVTF-UHFFFAOYSA-N	422.916	3.627	10	20	HHCD	
C[C@@H](Oc1cccc(Br)c1)C(=O)NCCCSc1nccs1	742075084	RWBAGCCIWYRPFZ-LLVKDONJSA-N	401.351	3.972	10	20	HHCD	
Fc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1-n1cncn1	742385391	YSAWLJLFVNABPI-INIZCTEOSA-N	417.435	3.766	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1C	743046792	RUJYGWVTXYPKAK-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
C[C@@H]1Cc2ccccc2N1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	744887640	SLPTUDFUDXXLMB-WIYYLYMNSA-N	409.530	3.534	10	20	HHCD	
CC(C)C[C@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903253	FBTRDJWBCQBTDC-WMZOPIPTSA-N	411.493	3.713	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)nc(O)n2C1CCCC1	751357940	LBCMDZORCBGOLJ-UHFFFAOYSA-N	420.513	3.624	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2nc(-c3ccco3)no2)cc1	751405272	KLBSGUVKOPLFKB-IBGZPJMESA-N	424.501	3.536	10	20	HHCD	
Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1C(=O)N(C)C	751555704	OTTKFWIHJLNSCQ-IBGZPJMESA-N	411.502	3.616	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	752151616	ZBZTUMSLXTZTPX-QFIPXVFZSA-N	419.525	3.945	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1	753710773	OQCDGTDPUBLDSU-UHFFFAOYSA-N	406.573	3.729	10	20	HHCD	
COc1ccc(N2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)cc1F	753858493	UDMHUKGRNIXMQL-UHFFFAOYSA-N	409.864	3.778	10	20	HHCD	
C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccs1	754306807	FZYKRHOMJLEOLB-ZIAGYGMSSA-N	410.490	3.816	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccnc(Oc2ccccc2)c1	754947983	DIMBOAOWXFVHRX-UHFFFAOYSA-N	414.512	3.568	10	20	HHCD	
CCc1c(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cnn1CCC(C)C	755417549	UNLPTINRWAMJQN-UHFFFAOYSA-N	417.529	3.993	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1	756378883	JOKQUKONAPSDAG-MGPUTAFESA-N	418.921	3.556	10	20	HHCD	
C[C@@H]1C[C@H](NCc2ccccc2OCCN2CCOCC2)c2c(O)ccc(F)c21	756481866	YZULJTXWJFESBP-APWZRJJASA-N	400.494	3.580	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1	756503846	NDTVJLWSKKQUKT-YWZLYKJASA-N	418.921	3.556	10	20	HHCD	
C[C@H](NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)cc(F)c1O	756764384	HZTQTAXDHKVHTC-RZAIGCCYSA-N	415.347	3.712	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cc1F	757852693	QJVBRVMYFYDDLL-HZPDHXFCSA-N	401.482	3.523	10	20	HHCD	
COc1cc(Br)cc(CNCc2ccccc2-c2cnn(C)c2)c1O	758555387	XIDLLHHFQOLCHC-UHFFFAOYSA-N	402.292	3.854	10	20	HHCD	
O=C(NCCCSc1nccs1)N(Cc1ccccc1O)C[C@@H]1CCCO1	759602288	SUFXSVKIDDCOCN-INIZCTEOSA-N	407.561	3.722	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccccc1)CC1(O)CCCC1	762062557	UMVVGEYTOCZKMZ-UHFFFAOYSA-N	409.574	3.518	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)c3c(F)cccc3F)c2C)cc1	762522746	PYSATJJVKMGXAC-HXUWFJFHSA-N	400.425	3.844	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c1	762979366	JUWJVNIIJPXDSH-UHFFFAOYSA-N	416.836	3.773	10	20	HHCD	
Cc1ccc2nc(NC(=O)CN(C)Cc3ccc(N4CCOCC4)cc3)sc2c1	764143719	USQJMFVXMYTXSP-UHFFFAOYSA-N	410.543	3.512	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(CN2CCCC2=O)cc1	765240963	FSYUDUQJPBBDTQ-UHFFFAOYSA-N	418.291	3.599	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H](O)COc3cccc4ccccc34)CC2)cc1	765473301	WMFWMUALPMBOCF-QFIPXVFZSA-N	406.526	3.847	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c1O	769503029	GPLPWMXXFAQCSL-UHFFFAOYSA-N	408.483	3.649	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@H]3c3ccc(F)cc3F)nc12	770238940	XMJCYULPYFUFBP-SFHVURJKSA-N	416.428	3.617	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2c(O)cccc2F)NC(=O)OC(C)(C)C)cc1	773192254	PYNTYTYHQYNCAH-KRWDZBQOSA-N	417.481	3.593	10	20	HHCD	
C[C@H](NC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C)c1ccc(N(C)C)cc1	773611619	PYRJVEKQJSCRAU-YESZJQIVSA-N	404.555	3.758	10	20	HHCD	
CC(C)C[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	774813342	CANZTYGMSLTYJY-QFIPXVFZSA-N	413.537	3.656	10	20	HHCD	
CC[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1O	775498015	VXXJSFPWHUTVSQ-OAHLLOKOSA-N	403.331	3.718	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1O	775563426	YJBUUPQERSJSHT-NHYWBVRUSA-N	409.364	3.775	10	20	HHCD	
COCCN1C(=O)CCc2cc(NCc3cc(Br)ccc3O)ccc21	778208662	QRYCWFULEJECER-UHFFFAOYSA-N	405.292	3.692	10	20	HHCD	
C[C@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C(=O)OC(C)(C)C	786165098	KONJMWPQIQJUAQ-JXFKEZNVSA-N	401.551	3.889	10	20	HHCD	
COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	788986859	GLRSJOGCYUWKFW-WZONZLPQSA-N	407.558	3.909	10	20	HHCD	
CCCOc1cc(OC)ccc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	789806106	LSSSFSCPPFVTMT-UHFFFAOYSA-N	402.466	3.594	10	20	HHCD	
Oc1ccc(Cl)c(F)c1CNc1ccc2nc(CCN3CCOCC3)[nH]c2c1	790979355	UHRAGIXSBGJENI-UHFFFAOYSA-N	404.873	3.548	10	20	HHCD	
Cc1ccc(CN2CC[C@H](NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)cc1	791010092	DLWSMAMVMCTSMU-NRFANRHFSA-N	422.529	3.784	10	20	HHCD	
C[C@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)c(F)cc1O	797041722	FUTDGLIJYPUZJX-STQMWFEESA-N	414.319	3.625	10	20	HHCD	
Cc1noc(C)c1C(C)(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	797436757	OLEHTGLFNNKHMN-KBPBESRZSA-N	403.498	3.638	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1ccc(N(C)C)cc1	804542969	OWJPECWKYTWLAE-ZEYPLWLESA-N	407.558	3.848	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(F)cc1Br	806987784	QOVASOFTWFQRFN-GFCCVEGCSA-N	422.298	3.779	10	20	HHCD	
C[C@H]1[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@H](C)CCN1C(=O)OC(C)(C)C	809718524	VCEIEJQWDNSODE-LQWHRVPQSA-N	403.567	3.647	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)c1O	809723307	FZGUDNTZSMHRTE-OAHLLOKOSA-N	409.483	3.578	10	20	HHCD	
CCOC1CC(CN[C@@H](CC)c2ccc(C(F)(F)F)cc2O)(N2CCOCC2)C1	810236836	AVPKFEIBBQMYBO-IPCDKGFNSA-N	416.484	3.722	10	20	HHCD	
CC(C)OCc1nc([C@@H](C)NC(=O)N(Cc2ccco2)Cc2ccccc2O)no1	812649668	ZFODENHNRJYQSD-OAHLLOKOSA-N	414.462	3.766	10	20	HHCD	
Cc1ccc(/C=C2\SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)s1	814275045	LZQBHACNROPKFC-GDNBJRDFSA-N	424.594	3.713	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cccc(N4CCOCC4)c3)cc2)CC1	814367013	YFPXCQQHICXTMT-UHFFFAOYSA-N	422.573	3.759	10	20	HHCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@H](N1CCOCC1)C(F)(F)F	815625904	PTLYJXBBFXEVTN-CTNGQTDRSA-N	408.464	3.919	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnn4cccnc34)c2C)cc1F	883993114	CDJJQRBJHVYKMH-UHFFFAOYSA-N	406.417	3.624	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2COCCO2)c(C)n1-c1ccc(Cl)c(Cl)c1	915413123	MQDDXQJDGLKZSS-SFHVURJKSA-N	412.269	3.542	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1	916669384	VOLPAOKPTSLOOG-UHFFFAOYSA-N	422.844	3.670	10	20	HHCD	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCc1ccc(N2CCSCC2)cc1	917383722	JRKGQVOCXDCYFG-WSUXWNOTSA-N	400.588	3.577	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CNC(=O)c2sccc2-n2c(C)ccc2C)c1	917514225	ZNGJNLGUNBYZIK-SFHVURJKSA-N	400.500	3.636	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1	918246030	JSDMOISFUCGDSZ-UHFFFAOYSA-N	407.445	3.939	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N(Cc3ccc(C)o3)C3CC3)sc2n1	918993246	YLFAPJPAXAPKBK-UHFFFAOYSA-N	413.499	3.745	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(N2CCCC2)c1	919778605	HAWLPVLTNTXNFN-UHFFFAOYSA-N	412.509	3.709	10	20	HHCD	
CCOc1ccc(CCNCc2ccc(N3CCN(C)CC3)c(F)c2)cc1OCC	1321654226	NVZKCUPQCXUSPE-UHFFFAOYSA-N	415.553	3.707	10	20	HHCD	
CCCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2sc3c(c2c1=O)CCC3	6097440	WYQPRXZUGZSMBY-UHFFFAOYSA-N	416.524	3.743	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4cccs4)n[nH]3)cc2F)C[C@@H](C)O1	108451924	WRAYCMZIHTXOSJ-ZIAGYGMSSA-N	414.506	3.821	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1	302897313	MEXOKFOEFFDTQS-DEOSSOPVSA-N	422.573	3.502	10	20	HHCD	
CCOc1c(OC)cc(CNC(=O)NCc2c(C)c3ccccc3n2C)cc1OC	471762570	XHLJUOKHZHNZHD-UHFFFAOYSA-N	411.502	3.902	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)n(C)c2ccccc12	472802160	JITGMTUCZYDFSB-UHFFFAOYSA-N	418.266	3.643	10	20	HHCD	
Cc1c(CNC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)n(C)c2ccccc12	511978367	UQCVIGQJSXEMNB-SFHVURJKSA-N	405.502	3.592	10	20	HHCD	
CCc1nc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)sc1C(=O)OC	512905002	HDIAFIHPPGRQLK-UHFFFAOYSA-N	415.515	3.962	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2nc3c(s2)CCCC3(C)C)n(C)c2ccccc12	578806574	GODMAILCKAXFKC-UHFFFAOYSA-N	410.543	3.812	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3ccc(OC[C@@H]4CCCO4)cc3)SC2=S)cn1	726196941	HJGMQEJOXDTXSU-DKFVHQPUSA-N	415.540	3.867	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc(F)c1F	727244002	OSGMBOUSBVXQSY-UHFFFAOYSA-N	410.423	3.660	10	20	HHCD	
Cc1ccc(CN(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	728055806	JZLWUBROQOTYRM-HOTGVXAUSA-N	419.566	3.557	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c1	728983071	UAZAYZGIUFGCRO-VXGBXAGGSA-N	423.296	3.938	10	20	HHCD	
CC1(c2ccccc2)CC(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	730030214	YEUQJMWOLFASBU-UHFFFAOYSA-N	411.521	3.706	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)ccc1[N+](=O)[O-]	734740522	OLKUZFAYBWFDIL-UHFFFAOYSA-N	419.440	3.556	10	20	HHCD	
Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	741736963	WUUBBEFBMPDIFH-QGZVFWFLSA-N	401.938	3.944	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(F)c(Br)c3)c2)CC1	742694155	IWSIPEKXWGXIOY-UHFFFAOYSA-N	420.282	3.542	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccoc1COc1ccc(C=O)cc1	742951950	CHKROSRGOKHVMU-UHFFFAOYSA-N	406.438	3.776	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F	743531506	AECHITBTEOALII-HNNXBMFYSA-N	423.435	3.904	10	20	HHCD	
Cc1cccc2oc(CCNC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)nc12	743565346	VSNAEFRQRKYSSV-QGZVFWFLSA-N	408.502	3.576	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)c1	743702641	FSKNSOLHKRGSEN-CHWSQXEVSA-N	412.446	3.581	10	20	HHCD	
Cc1ccnc(Oc2cc(NC(=O)C(=O)N(C)Cc3ccccc3O)ccc2C)c1	743892940	MUZVMOYDIQWWAD-UHFFFAOYSA-N	405.454	3.793	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](c2cc[nH]n2)C1	745905669	PTOKRHWYNVETOU-CVEARBPZSA-N	419.476	3.569	10	20	HHCD	
O=C(CCSc1ccc(F)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	746010281	BILKSAYVASDQBT-UHFFFAOYSA-N	406.498	3.725	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3ccc(Br)cc3)CC2)cc1	748691600	UCRYOBRLLTVNBO-UHFFFAOYSA-N	403.320	3.739	10	20	HHCD	
Cc1cc(Cl)c(NC(=O)C(=O)NCCCSc2nccs2)cc1Cl	752405939	UUEBPINVRFNGLU-UHFFFAOYSA-N	404.344	3.995	10	20	HHCD	
COc1ccc(CC[C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1O	756101701	WRIBJDTZYFMXPP-MRXNPFEDSA-N	402.510	3.612	10	20	HHCD	
C[C@H](NCc1cccc(OCC(N)=O)c1)c1cc(Br)cc(Cl)c1O	756607351	CTLDMIWVGCFAPD-JTQLQIEISA-N	413.699	3.523	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)CC)cc2)cc1F	756981981	CZSZADIBFXEACH-UHFFFAOYSA-N	420.550	3.715	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3COc4c(Cl)cccc43)CC2)cc1	757669302	CISIIWJEELIFAC-IBGZPJMESA-N	401.894	3.750	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)CSc3nc4ccccc4s3)CC2)cc1	758197875	RAKNMWQOGVVCEE-QGZVFWFLSA-N	415.584	3.580	10	20	HHCD	
O[C@@H]1CCC[C@]1(CNCc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(F)cc1	758580180	HSSBCXPXLDXNPO-DNQXCXABSA-N	416.512	3.665	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Br)o1	759003051	BFVBUQOWOLPICB-UHFFFAOYSA-N	401.326	3.707	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4nccnc4c3)c2C)cc1	759803327	GNZKQRHTGIIHBD-UHFFFAOYSA-N	400.438	3.780	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(-c2ccccc2)no1	760314410	FRQYOKWZSNFORR-QGZVFWFLSA-N	403.486	3.716	10	20	HHCD	
Cc1cc(CC(=O)NCC2(O)CCN(C(C)C)CC2)c(C)n1-c1ccc(Cl)cc1	760893455	ICLXRNWESXURMS-UHFFFAOYSA-N	417.981	3.642	10	20	HHCD	
CN(C)CCOc1ccc(N(C)Cc2ccccc2N(C)C2CCN(C)CC2)cc1	761222838	NFSPQCCDASWDTL-UHFFFAOYSA-N	410.606	3.794	10	20	HHCD	
COC(=O)c1cn([C@@H]2CCCN(Cc3cc4oc5ccccc5c4cc3O)C2)nn1	762462012	SODIZXYPYVYQNY-OAHLLOKOSA-N	406.442	3.507	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)cc2F)C[C@@H](C)O1	763479245	SWJIDGOGGJBJLS-BZSOYRFXSA-N	421.557	3.832	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NCc1sccc1Br	764769719	PKABXCJWYNVMRX-UHFFFAOYSA-N	420.126	3.978	10	20	HHCD	
CC(C)n1cc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1	765275346	CMSSFBKJGFYJAR-SFHVURJKSA-N	423.540	3.571	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3cc(-c4cnn(C)c4C)no3)ccc21	767534941	UCRLBTNNBJPHRL-UHFFFAOYSA-N	422.485	3.958	10	20	HHCD	
COc1ccc(Br)c(CC(=O)NCCCSc2nccs2)c1	769088576	BWITUNSZADIJBN-UHFFFAOYSA-N	401.351	3.755	10	20	HHCD	
Oc1c(Cl)cc(Cl)cc1CN1CCN(CCCOCC(F)(F)F)CC1	769110455	GRNNTWSRSJKPJZ-UHFFFAOYSA-N	401.256	3.786	10	20	HHCD	
CCC(CC)(C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccc(OC)c(OC)c1	773762312	MXASGAAXKXBWKJ-OAHLLOKOSA-N	401.503	3.920	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1O	775047852	NMXUGGRRQIVFAA-FZKQIMNGSA-N	423.872	3.884	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	775192454	MWFIKNLTAOHXQE-RTWAWAEBSA-N	410.514	3.557	10	20	HHCD	
CC[C@@H](CSC)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	775516971	XRGNQXRCMVWLRV-GVIGZQTCSA-N	414.643	3.987	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccccc12	777956488	METMCGUOUWPRHV-UHFFFAOYSA-N	411.527	3.685	10	20	HHCD	
CC[C@H](C)n1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1C	778390959	RJVFWEQAMBBAHF-KBXCAEBGSA-N	404.942	3.916	10	20	HHCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCO1	778751037	CZKBAUVUPWSHEN-LAUBAEHRSA-N	407.530	3.650	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	778976459	XSKONQZYNAKPQO-WMZOPIPTSA-N	412.534	3.864	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H](OCC4CC4)C3)cc2F)C[C@@H](C)O1	779531094	WQGQIMUPEFSXJV-FUHIMQAGSA-N	419.541	3.540	10	20	HHCD	
COc1cc(N(C)Cc2ccc(OCCN3CCCC3)cc2)cc(OC)c1OC	780775549	WEMPWZHNAUBZPH-UHFFFAOYSA-N	400.519	3.823	10	20	HHCD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)s1	782517262	QWGIKVWCHPAIRB-UHFFFAOYSA-N	420.538	3.756	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](c3ccc(F)cc3)c3ncc[nH]3)cc2F)CC1	783237186	AGKGHYYYJJXHLO-JOCHJYFZSA-N	411.500	3.709	10	20	HHCD	
CC[C@H](CN(CC)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1	788936286	JNXDLMXIHXBQRM-OAQYLSRUSA-N	407.558	3.945	10	20	HHCD	
CCC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)c1ccccc1	792067230	URVYUOCAJSGIBK-GOTSBHOMSA-N	411.546	3.866	10	20	HHCD	
Cc1ccc([C@H](C)NCC(=O)Nc2ccc(I)cc2)c(O)c1	793567736	JAPYNQLKBFBRBS-LBPRGKRZSA-N	410.255	3.595	10	20	HHCD	
C[C@@H](Cc1ccsc1)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	793790357	LEHNLQTXMUVDHP-KRWDZBQOSA-N	413.587	3.881	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)c3noc(COC(C)C)n3)c2C)cc1	794171763	QKOSBFCOGIQCNC-HNNXBMFYSA-N	412.490	3.902	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(Br)cc2O)s1	794829549	UBQYRSAMRYCAEC-JTQLQIEISA-N	404.351	3.861	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(Br)c(OC)cc2OC)c(O)c1	797648054	UIYHOTPNBUYADK-UHFFFAOYSA-N	411.252	3.502	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N(C)Cc1ccccc1Br	797721304	CSWGKHPPUBBUBP-UHFFFAOYSA-N	403.320	3.869	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2Cl)C1	800718548	AUWNLXYUYJTLGQ-FOIQADDNSA-N	418.969	3.529	10	20	HHCD	
CC(C)n1ncc2c(C(=O)O)cc(/C=C\c3ccc(N4CCN(C)CC4)cc3)nc21	806560287	LFJDJZNVKBNMGM-DAXSKMNVSA-N	405.502	3.633	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	807839870	SJXKDZXYNXKXTM-UHFFFAOYSA-N	407.213	3.723	10	20	HHCD	
O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2cccc(Br)c2O)C1	808421932	CTZAMSODWVOFHR-GFCCVEGCSA-N	409.246	3.578	10	20	HHCD	
CN1CCN(c2ccc(CNCC[C@@H](O)c3ccc(Cl)c(Cl)c3)cc2)CC1	809755466	QZSGQDZKHKOOMD-OAQYLSRUSA-N	408.373	3.959	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnnc(-c4ccccc4)c3)cc2F)C[C@@H](C)O1	810167817	PSMOHEUWJRUZIQ-CALCHBBNSA-N	420.488	3.826	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)c1	810362384	SNGSLHAQNCKIFV-OAHLLOKOSA-N	422.485	3.526	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H](C)c3noc(COC(C)C)n3)cc2)CC1	811876992	BFWLFHWSRANLPF-KRWDZBQOSA-N	415.538	3.791	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)O)c3)SC2=S)cc1	864009334	LYVKAVRZELQRCT-BOPFTXTBSA-N	414.508	3.622	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCCN(Cc2ccccc2)C1	916606430	PMSJIHZFLOOMLW-QFIPXVFZSA-N	424.614	3.704	10	20	HHCD	
CCOc1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1O	916835332	QNDCVYJVRUDMLH-UHFFFAOYSA-N	410.436	3.936	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)sc2c1CCCC2	918557725	GHVRBHQSGGQEBV-GFCCVEGCSA-N	416.474	3.544	10	20	HHCD	
COc1ccccc1CCNC(=O)COC(=O)c1sccc1-n1c(C)ccc1C	919566918	WQMUGDQZMWNKHX-UHFFFAOYSA-N	412.511	3.680	10	20	HHCD	
CCN(C[C@@H]1CCOC1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	920749966	VTOKZZOKRQPBGB-LUYJPIOASA-N	424.613	3.615	10	20	HHCD	
CCc1oc2ccccc2c1C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	1116574840	SNRSTOREHDDGSV-UHFFFAOYSA-N	424.497	3.983	10	20	HHCD	
C[C@H](CCNC(=O)NCc1c(O)ccc2c1CCCC2)N(C)C(=O)OC(C)(C)C	1318840393	XKIRRKBHPXGZNF-OAHLLOKOSA-N	405.539	3.716	10	20	HHCD	
Cc1ccc2[nH]c(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c(Cl)c2c1	1319519310	ZNYDXBILNMEINJ-INIZCTEOSA-N	424.932	3.761	10	20	HHCD	
CN1CCN(c2ccc(CN(Cc3ccccc3)C[C@H](O)c3ccco3)cc2F)CC1	1319715257	KZXOSNWJFCVMCI-DEOSSOPVSA-N	423.532	3.906	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3ccc(F)cc3F)cc2F)CC1	1323164747	PLZDWCQREZVPPE-OAHLLOKOSA-N	405.464	3.666	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1	7241878	TXPHQYASIHBRNF-UHFFFAOYSA-N	407.499	3.692	10	20	HHCD	
COc1ccc(N2CCN(CCCNc3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1	302639332	XOZRAZSAEFBFIG-UHFFFAOYSA-N	421.501	3.776	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3ccc(C(=O)OC)cc3)ccc21	482666675	UNVPPJADTGRFTC-UHFFFAOYSA-N	408.498	3.963	10	20	HHCD	
CC[C@@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	702617202	ZUNFDRQPBWOZQS-TZIWHRDSSA-N	419.363	3.832	10	20	HHCD	
CC(=O)c1c(C)[nH]c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C	726566285	NCBXSHIMLYBKIM-UHFFFAOYSA-N	405.445	3.834	10	20	HHCD	
C[C@@H]1CCCN([C@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	726706133	YNXSKMPVLMIIBC-IAGOWNOFSA-N	424.536	3.676	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCN(c4ccccc4C)CC3)CC2)cc1	726715592	RSAPNPWNWYOMSF-UHFFFAOYSA-N	408.546	3.504	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)NC[C@@H]1CCN(c2ccccc2)C1	731846309	WJUQLOVQQKYFGR-FQEVSTJZSA-N	407.558	3.780	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1	734006096	JVIWNUAOBMGSOK-INIZCTEOSA-N	422.451	3.729	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1	734533774	HYKPNDNCOMXQEO-LLVKDONJSA-N	402.838	3.665	10	20	HHCD	
CS[C@H]1CCC[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	735265619	KQIFMIBSVXJFID-STQMWFEESA-N	424.478	3.774	10	20	HHCD	
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	735847361	KQAUNAXEWYHSMH-APWZRJJASA-N	417.550	3.664	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	741066964	CXOHPDWWUGEBPS-UHFFFAOYSA-N	416.547	3.711	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Cl)c2cccnc12	741100329	ZONTVBRXPOJGSZ-UHFFFAOYSA-N	406.873	3.519	10	20	HHCD	
COc1ccccc1CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743504245	BPMMGVPNVGVMHH-QGZVFWFLSA-N	419.472	3.807	10	20	HHCD	
COCc1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743533807	KSXLHTJDEFMIRS-SFHVURJKSA-N	419.472	3.903	10	20	HHCD	
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)s1	743559330	HFHWOGKVNIKLLW-MRXNPFEDSA-N	402.564	3.753	10	20	HHCD	
CCOCCCN1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[C@H](C)C1	745826399	ALOXILMWACWDPV-OFNKIYASSA-N	418.626	3.810	10	20	HHCD	
Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	747747940	JKQVAPKGXICRDC-UHFFFAOYSA-N	411.546	3.973	10	20	HHCD	
CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405420	DWDMJNQGJVFXMC-NRFANRHFSA-N	400.494	3.569	10	20	HHCD	
O=S(=O)(/C=C\c1ccccc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1	751229118	UBZINYPVLAPNJC-XFXZXTDPSA-N	424.925	3.531	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1F	752911650	LLGUAMYVIPJOOE-OAQYLSRUSA-N	411.477	3.930	10	20	HHCD	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c12	753640429	OITASHPCLISZPW-GFCCVEGCSA-N	422.510	3.777	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	753644328	KRIYKQJJXXQBRY-IQMFZBJNSA-N	417.461	3.913	10	20	HHCD	
C[C@H]1COC(C)(C)CN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	754628321	GPENFLGAVCZCTP-LERPTODRSA-N	424.613	3.755	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@](C)(O)c3cccc(C(F)(F)F)c3)CC2)cc1	754852228	UQQZYRMZCKMLFD-OAQYLSRUSA-N	422.447	3.707	10	20	HHCD	
C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Br)cc1O	756355599	SUYSEFPNAFDRSQ-CZUORRHYSA-N	411.365	3.940	10	20	HHCD	
COc1cc(CN[C@H](C)c2ccc3ccccc3c2O)ccc1OCC(=O)N(C)C	756475018	GTWQEUYCWWYAPO-MRXNPFEDSA-N	408.498	3.872	10	20	HHCD	
C[C@@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)c(Cl)c1O	756527534	ZOZDZJZTXPTPCT-GIGQVBGESA-N	408.285	3.604	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1cc2c(cc1Br)OCCCO2	759594880	NLJINNGECKIVDD-HYXAFXHYSA-N	421.243	3.778	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)N(C)Cc2ccc(OC)c(F)c2)cc1	759644996	WUEGZNOBHSMALE-UHFFFAOYSA-N	401.526	3.771	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1	763065458	VZZVPOPCJMPROS-UHFFFAOYSA-N	404.555	3.540	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCCN(Cc2ccccc2)C1	764762521	HFBMZZFKLDXEPN-QGZVFWFLSA-N	418.335	3.619	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1cccc(-n2cccn2)c1	764791068	MEYGQQUZFHKPCK-CYBMUJFWSA-N	415.291	3.901	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)c(F)c1	765371983	PLJZNSUBIBJYRG-SFHVURJKSA-N	411.521	3.749	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)NCc3cccc(Br)c3O)c2C)no1	765729200	ZAELJKXZDGBDCA-UHFFFAOYSA-N	404.264	3.789	10	20	HHCD	
Cc1cc(C(=O)NCCS(=O)(=O)CC2CC2)c(C)n1-c1cccc(C(C)C)c1	766622595	QWYUEHOBENSJPH-UHFFFAOYSA-N	402.560	3.772	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)c1	768909659	AFPJBHJVPCURDY-KSFYIVLOSA-N	404.466	3.749	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)c2C)cc1	768956563	MOJYXHFFQIVQPY-VGOFRKELSA-N	400.544	3.887	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	770840200	NGNJWKFJRLWRSF-KNQAVFIVSA-N	412.917	3.962	10	20	HHCD	
C[C@H]1C[C@@H](CCNCc2ccc(N3CCN(C)CC3)cc2)CN1Cc1ccccc1	771857846	DKEKRRXLXUDRFI-WIOPSUGQSA-N	406.618	3.829	10	20	HHCD	
CCOC(=O)c1c(COC(=O)/C=C/c2ccc(O)c(O)c2)nc2ccccc2c1C	772774181	HKRSWMJTKRHKEK-PKNBQFBNSA-N	407.422	3.888	10	20	HHCD	
CC[C@@H](CSC)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	774166836	DTBCQCXPHKQAIH-HNNXBMFYSA-N	419.513	3.825	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21	775507277	JRJULZVXDAYFCU-GOSISDBHSA-N	423.376	3.832	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNc2cnn(CCN3CCOCC3)c2)cc1	776251909	BWQXILGWVUTMDI-UHFFFAOYSA-N	419.573	3.854	10	20	HHCD	
Cc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2cccc([N+](=O)[O-])c2n1	776288020	FPAAQZJJLKBYKT-QGZVFWFLSA-N	419.485	3.765	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C\c3cccc(Br)n3)SC2=S)c1	777912837	PKPNZGAOQKDYNO-XYOKQWHBSA-N	421.297	3.948	10	20	HHCD	
COCc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1	778661640	QNBZGJAYKAPSQQ-UHFFFAOYSA-N	417.512	3.716	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cn(C)nc3-c3ccccc3)CC2)cc1	779626810	FGWTZXMCEDJEHQ-UHFFFAOYSA-N	405.502	3.840	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1Cl	779886997	FHVKTDSGKCJDEO-UHFFFAOYSA-N	409.711	3.869	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F	783134379	XTGSOSBLKAFCEV-AWEZNQCLSA-N	416.453	3.723	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@H]2CCCCS2(=O)=O)cc1	784129582	VNOIDDDHIYSWKN-GOSISDBHSA-N	414.531	3.865	10	20	HHCD	
NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785229434	WMQFQZKBQPALSQ-RTBURBONSA-N	407.474	3.591	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CC(C)(C)OC(C)(C)C3)cc2F)C[C@H](C)O1	785567364	WHVIJCUTAHQYFU-HOTGVXAUSA-N	407.530	3.538	10	20	HHCD	
COC[C@@H](NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)[C@H]1CCCO1	790278917	CGDLHCUYBXGWQE-RTBURBONSA-N	421.335	3.780	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCC(=O)c2cnn(C)c2)cc1	793476455	FBWABTSRSBUASZ-UHFFFAOYSA-N	420.513	3.691	10	20	HHCD	
CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCCCSc2nccs2)c1	795103307	FAZXZUGNVMJBSL-UHFFFAOYSA-N	404.966	3.850	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)c(O)c1	797610778	WAQKMSDCZVWXPF-UHFFFAOYSA-N	421.453	3.983	10	20	HHCD	
Cc1ccc([C@H](NCc2cccc(Br)c2O)[C@@H](C)S(C)(=O)=O)cc1	798088845	WAHMCDYQWLTTTQ-CXAGYDPISA-N	412.349	3.727	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCOC[C@@H]3CCCO3)cc2Cl)C1	799929259	QSPBNMBJUIFOTP-WMZOPIPTSA-N	409.958	3.571	10	20	HHCD	
COC(=O)c1cncc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1	800048644	HINFRNDVSFQGBC-AWEZNQCLSA-N	401.894	3.688	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)c(C)n1-c1ccc(Cl)cc1	800230933	CYCJGUCTRKYTOE-HXUWFJFHSA-N	422.978	3.716	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)c(C)n1-c1ccccn1	802268025	IUNSACWUJKVKJX-UHFFFAOYSA-N	412.497	3.875	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@H](CC1CCC1)c1ccccc1	806280034	HYQIQOBVOPPCTE-QGZVFWFLSA-N	403.573	3.789	10	20	HHCD	
CCN(C)C(=O)c1cccc(NC(=O)NCc2cccc(Br)c2O)c1	806775096	PYDDSHBLTWKCKX-UHFFFAOYSA-N	406.280	3.568	10	20	HHCD	
CN(CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(N2CCCCC2)cc1	807272509	IRHBZOHUUKCYSS-UHFFFAOYSA-N	408.546	3.525	10	20	HHCD	
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCc1cc(Cl)cc(Cl)c1O	807839149	IOESCGNJMBSCKP-UHFFFAOYSA-N	420.296	3.732	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	809531827	UZHQXJVJUWLBKG-OAHLLOKOSA-N	413.518	3.578	10	20	HHCD	
CCOC(=O)[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCCOC1	809652656	KCRMHPAFOJGZLU-VWNXMTODSA-N	408.542	3.697	10	20	HHCD	
COc1cc(CNCc2cc(Cl)cc(Cl)c2O)cc(Cl)c1OCC(N)=O	809776219	YYKAKUVMSBYADE-UHFFFAOYSA-N	419.692	3.515	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(CNCc3cc(Cl)c(F)cc3O)cc2)C[C@H](C)O1	816539986	ATSTZFRCWLWAQN-KBPBESRZSA-N	406.885	3.724	10	20	HHCD	
Cc1cc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)c(C)n1-c1ccccn1	820143693	LXVMEKSABJLSJW-UHFFFAOYSA-N	424.545	3.962	10	20	HHCD	
CN(C)c1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	914725953	RMJVMPAEBYSXOZ-UHFFFAOYSA-N	415.405	3.689	10	20	HHCD	
COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c1	915222424	GJCMJHMDUWEFGS-UHFFFAOYSA-N	406.485	3.637	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(F)c(Cl)c3)cc2F)C[C@H](C)O1	917170011	SFFYZHRLQSANQY-KBPBESRZSA-N	424.875	3.927	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	920315048	CMGBJWGXWAWNSX-UHFFFAOYSA-N	411.911	3.915	10	20	HHCD	
CN(Cc1ccccc1)C(=O)N1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	921050579	UZQADLKAOKGIEM-UHFFFAOYSA-N	411.546	3.765	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@](O)(C3CC3)C2)c(C)n1-c1ccccc1Br	1320973052	PORZHOQALVCSCX-HXUWFJFHSA-N	403.320	3.844	10	20	HHCD	
C[C@@H]1CC[C@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H](n2cncn2)C1	1345102843	HKHWTEVWYSRJPF-UIAACRFSSA-N	405.493	3.868	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)s1)c1cc(O)c(O)c(Cl)c1	1794510207	UYQNQJGOOGYPTQ-ZSBIGDGJSA-N	424.881	3.517	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnco2)C3)cc1	1800512997	VUQARDWUTCUCFG-NUZGMZIFSA-N	418.497	3.648	10	20	HHCD	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)c1ccc(O)c(O)c1	2643276	BDYCJPAOHVKTCS-UHFFFAOYSA-N	422.437	3.911	10	20	HHCD	
Cc1c(CNC(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n(C)c2ccccc12	472237307	GYATWLWGYYCKEC-INIZCTEOSA-N	413.543	3.793	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(Oc4ccccn4)CC3)ccc21	524813699	MBTQWWAEALNQQG-UHFFFAOYSA-N	407.514	3.983	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)Cc3cccc(Cl)c3)cc2F)CC1	730132852	HHFDUEADSCHTOV-UHFFFAOYSA-N	418.944	3.963	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCCOCc3ccccc3)cc2F)CC1	730192900	PJDVLFOVSNGSAJ-UHFFFAOYSA-N	413.537	3.581	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CSc2cccc[n+]2[O-])cc1	732114287	AGFRFZCCJIGWOG-UHFFFAOYSA-N	423.538	3.720	10	20	HHCD	
Cc1cc(C(=O)N(C)CCn2cccn2)c(C)n1-c1cccc(Br)c1	732147956	ZYPPMHWHVAWMBV-UHFFFAOYSA-N	401.308	3.825	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	734217791	MYKFFTJFNAJRQN-GOSISDBHSA-N	404.555	3.684	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(CCc1ccc(F)cc1)C1CC1	735186320	HJRKXTXVXQCRGG-UHFFFAOYSA-N	415.484	3.718	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1	742682725	LDFLIXPXPRRSIE-OAQYLSRUSA-N	411.546	3.986	10	20	HHCD	
COc1ccc(N2CCN(CCNCc3ccc4cc(OC)ccc4c3)CC2)cc1	742700600	SDQAHYVRZWZQBR-UHFFFAOYSA-N	405.542	3.769	10	20	HHCD	
COc1ccc(OC)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742799427	AHMRDKSZDMYJBW-CQSZACIVSA-N	406.429	3.704	10	20	HHCD	
CN1CCCc2cc(CN/C=C3/C(=O)N(c4ccccn4)C(=O)c4ccccc43)ccc21	746691371	VYUAMZRMPZICAY-OQKWZONESA-N	424.504	3.782	10	20	HHCD	
COC[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(C)o1	746756534	DRYROIGJXPKESC-MDZRGWNJSA-N	419.497	3.528	10	20	HHCD	
Cc1ccc(O)c(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	748034036	FIAIPMHDMLHIAL-UHFFFAOYSA-N	404.469	3.521	10	20	HHCD	
C[C@H](Cc1cccs1)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748038926	SABQJKNOQGBIEG-GFCCVEGCSA-N	422.553	3.677	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(C(=O)Cc4ccccc4C)CC3)c2c1	749884761	RPFPVVBGAGLAHO-UHFFFAOYSA-N	404.510	3.749	10	20	HHCD	
COC(=O)c1ccc(C)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1	751355621	GPQQBUAVPHCDNH-UHFFFAOYSA-N	403.500	3.621	10	20	HHCD	
Oc1cc(OCc2ccccc2)ccc1CN1CCn2c(nnc2C(F)(F)F)C1	753547926	YGWMJKWYKVSKQT-UHFFFAOYSA-N	404.392	3.597	10	20	HHCD	
Cc1cc(C(=O)NCC2CCS(=O)(=O)CC2)c(C)n1-c1cccc(C(C)C)c1	756363877	CPQWBNIOFKRBLM-UHFFFAOYSA-N	402.560	3.772	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)cc1O	756422166	LMCZBNBMXCVRSF-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
CCOC(=O)[C@@H]1CCCN(C(=O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)C1	757286910	RVTXHORKLGKJCL-SIKLNZKXSA-N	424.541	3.757	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(Oc3cccc(Br)c3)CC1)[C@@H](O)CO2	758975656	TWSQBSRJIKBWIG-IBGZPJMESA-N	420.303	3.624	10	20	HHCD	
CC(C)(C)OC1CC(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	763489647	XCOJKFVFCKYHBD-UHFFFAOYSA-N	421.557	3.570	10	20	HHCD	
C[C@H](NCC1(N2CCSCC2)CCCC1)c1ccc(N2CCOCC2)c(F)c1	764909203	NVLDJTQMKPDYLJ-SFHVURJKSA-N	407.599	3.675	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1Cc2ccc(Br)cc2C1	765226454	DKUIIRUDDLXCSP-UHFFFAOYSA-N	416.319	3.511	10	20	HHCD	
CCCNC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1	765252463	QPDJLFJANMJWFV-UHFFFAOYSA-N	406.280	3.616	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(N2CCOC2=O)c1	765288276	XRBMKPPAYPJJPX-MRXNPFEDSA-N	413.493	3.594	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	766346007	IGFWQGWAUYJZRQ-ROUUACIJSA-N	404.432	3.703	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCOC3(CCOCC3)C2)cc1)C1CCCCC1	767939088	LUHDEWNPGRXDJC-UHFFFAOYSA-N	401.551	3.547	10	20	HHCD	
C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cnc2ccccc21	771059363	PLRJAKHZIOMPGM-QAPCUYQASA-N	412.921	3.737	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4ccc(F)cc4C3)cc2F)C[C@H](C)O1	771204585	POCQGDRNFAQQCC-HOTGVXAUSA-N	415.484	3.846	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)c1O	774341524	ARLNHJYPAJGITP-SGTLLEGYSA-N	423.307	3.739	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1O	774837729	RBBLJOOYKOCVFR-UHFFFAOYSA-N	411.380	3.650	10	20	HHCD	
C[C@H](NC[C@@H](O)COCC1=CC[C@H]2C[C@H]1C2(C)C)c1ccc(N2CCOCC2)cc1	775253625	ACOOOVBRDZKOLA-KXHCOYLBSA-N	414.590	3.544	10	20	HHCD	
Cc1ccc([C@H](NC(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)cc1	775255968	SOFGUZXNLILQKA-DFBJGRDBSA-N	407.558	3.750	10	20	HHCD	
Cc1ccc(CN(C(=O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)cc1	775256946	AWRWCOKTFJZJFJ-FQEVSTJZSA-N	407.558	3.673	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1	775364880	RUPYQOIECUZUJI-INIZCTEOSA-N	404.466	3.921	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1	780689539	ADLGTKOZWPWWAC-UHFFFAOYSA-N	410.543	3.811	10	20	HHCD	
CCc1cccnc1[C@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	780717179	HULBTWQAKNVFDR-SFHVURJKSA-N	420.536	3.751	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1F	782656879	VOVHYYMDWSKKAN-HZPDHXFCSA-N	408.518	3.527	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@@H](CN1CCCCC1)c1ccccc1	782994028	LVAVJMOQJMYTDX-DEOSSOPVSA-N	408.590	3.528	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC4(CC3)COC(=O)N4)c2C)c1	784455070	UOOVXDAHWFKGKQ-UHFFFAOYSA-N	413.543	3.573	10	20	HHCD	
CCOc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1	785743787	BMECLXKOBZQFSY-MRXNPFEDSA-N	415.509	3.564	10	20	HHCD	
COCc1ccccc1CNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	787503191	GONWQEMOQLSLFH-UHFFFAOYSA-N	423.557	3.535	10	20	HHCD	
Cc1cc(C)c([C@H](C)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)c(O)c1	788645445	XPNJOPYTRMJGQO-AZUAARDMSA-N	412.530	3.534	10	20	HHCD	
Cc1cc(C)c(N2CC[C@H](N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)c(C)c1	788803636	IDGWWXRJGHQULK-OFNKIYASSA-N	407.558	3.905	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1	789834395	GXBDVBMIHSAQKI-RDJZCZTQSA-N	400.475	3.798	10	20	HHCD	
Cc1cc(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)c(C)n1-c1ccc(Br)cc1	791171743	ALXKBARGNGFSLH-ZIAGYGMSSA-N	423.376	3.838	10	20	HHCD	
O=[N+]([O-])c1cc(CN(CCO)Cc2cccnc2Cl)ccc1N1CCCCC1	793365895	LWGDRFFNSFEMQM-UHFFFAOYSA-N	404.898	3.628	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1)c1ccc(N(C)C)cc1	793954711	JRRFUCVEXFNRQQ-GFCCVEGCSA-N	416.934	3.509	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccc1	797917440	VMHVLHLQZMAYOH-GDLZYMKVSA-N	409.507	3.800	10	20	HHCD	
COc1ccccc1CCNC(=O)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	797999789	HJWRTVFFEMVFQH-GOSISDBHSA-N	413.537	3.834	10	20	HHCD	
Cc1cc(C(=O)NCC2([S@](C)=O)CCC2)c(C)n1-c1cccc(Br)c1	798101728	OVBLHWUAFMGQEY-VWLOTQADSA-N	423.376	3.888	10	20	HHCD	
COc1ccccc1-n1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C	798408734	FJGYOIXNLTVBNK-QGZVFWFLSA-N	420.513	3.517	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1	801550140	PEMQWHDNAIRQOD-UHFFFAOYSA-N	400.479	3.972	10	20	HHCD	
Cc1ccc(C[C@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)c1	805179055	PFMCSCRMGYOTKN-IBGZPJMESA-N	420.509	3.878	10	20	HHCD	
Cc1cccn(Cc2c(F)cccc2NCc2ccc(N3CCN(C)CC3)cc2)c1=O	808437943	NUXMZPJFESZCTF-UHFFFAOYSA-N	420.532	3.708	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	809531826	UZHQXJVJUWLBKG-HNNXBMFYSA-N	413.518	3.578	10	20	HHCD	
COc1cccc(CN(CCn2ccnc2)Cc2ccc(Br)o2)c1O	809752732	HQNCKGGTKRDMDS-UHFFFAOYSA-N	406.280	3.655	10	20	HHCD	
Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1C(=O)O	811704283	CZCXGAFEQDJLGV-UHFFFAOYSA-N	413.879	3.778	10	20	HHCD	
CCOCCCn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1C(C)(C)C	812189487	AYBBTUFXYXOTDC-UHFFFAOYSA-N	415.582	3.728	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc(OC)c1C	815593709	UVCLHVSPTYXINQ-UHFFFAOYSA-N	411.502	3.899	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1-c1ccc(F)cc1	906465149	MPYROXLVWGIFBU-UHFFFAOYSA-N	419.459	3.503	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1	916102526	FLFQWLGWGAUOIM-UHFFFAOYSA-N	418.496	3.781	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1	917983113	GMPFOOSBJXIQSM-UHFFFAOYSA-N	415.540	3.849	10	20	HHCD	
COc1ccc(CN2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1	918199341	VMYNVHBOBCVAKY-GZTJUZNOSA-N	419.549	3.500	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl	918265463	IIXNVJKVHNEAGR-UHFFFAOYSA-N	401.894	3.594	10	20	HHCD	
Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919968346	FSWFORMNOVPWOX-UHFFFAOYSA-N	405.498	3.789	10	20	HHCD	
C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	920230820	YZUIIVHJVURFSO-UONOGXRCSA-N	406.438	3.926	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(NC(=O)c2ccc(O)nc2)cc1	1116312759	XRVSTYDRASAPSR-UHFFFAOYSA-N	417.465	3.554	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	27156792	QDBGWNOLUTYSQO-JOCHJYFZSA-N	405.542	3.684	10	20	HHCD	
O=C(c1nc(C2CC2)n(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	112645669	LANGHMFJQSQAAR-HXUWFJFHSA-N	418.497	3.672	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1)C1CCCCC1	116030369	NTBUJUODQJPDAJ-UHFFFAOYSA-N	415.559	3.757	10	20	HHCD	
Cc1c(CNC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)n(C)c2ccccc12	471598072	IRDFZICUIWEULW-UHFFFAOYSA-N	422.504	3.730	10	20	HHCD	
C[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)COCc1ccccc1	726236461	DKDLNJKGUVDSEK-VQTJNVASSA-N	411.546	3.736	10	20	HHCD	
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	726285561	YUICTIMUTYGSHB-UHFFFAOYSA-N	414.509	3.912	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1	726626303	AITBABYFZSMJLG-ZROIWOOFSA-N	419.325	3.954	10	20	HHCD	
CCCO[C@@H]1CCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	731117403	MYOHILIJXKAOIR-WSTZPKSXSA-N	421.557	3.930	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCCNC(=O)C2CC2)cc1	732114558	HQMWLBNLAHOJAI-UHFFFAOYSA-N	409.530	3.601	10	20	HHCD	
O=C(C1CCN(Cc2ccccc2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1	735516928	BKYUHWQQCDJYRS-HSZRJFAPSA-N	408.542	3.812	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1	735866958	KIZYZHMJKYCPHM-UHFFFAOYSA-N	417.531	3.619	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c2)CC1	740492541	YLZSTYVIFLIZCZ-UHFFFAOYSA-N	420.557	3.778	10	20	HHCD	
COc1cc(N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)cc(OC)c1OC	741795542	MHASDFMLEFAQCR-UHFFFAOYSA-N	412.530	3.630	10	20	HHCD	
O=C(CCN1C(=O)CCc2ccccc21)N(Cc1ccco1)Cc1ccccc1O	743430175	DWHMAIYRNUYSFM-UHFFFAOYSA-N	404.466	3.884	10	20	HHCD	
Cc1ccc(N2CC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2=O)cc1	745852214	MYMQYOXLCDSRLO-JOCHJYFZSA-N	408.546	3.787	10	20	HHCD	
COc1ccc(O[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	745898769	BDZGDUCLDPAHNF-UWJYYQICSA-N	414.502	3.559	10	20	HHCD	
CCNC(=O)N1CCc2ccc(NC(=O)NCc3ccc(N(CC)CC)cc3)cc21	746031640	BBLCJIXKTGTANP-UHFFFAOYSA-N	409.534	3.947	10	20	HHCD	
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1	747856914	OEQXCHDIKAELEV-UYAOXDASSA-N	402.583	3.759	10	20	HHCD	
CCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C12CCCCC2	748625019	KGWSOXLIZAWVRT-FCHUYYIVSA-N	415.578	3.793	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(C)n1-c1ccccn1	748742718	UXKXBJGRVDJHGW-FQEVSTJZSA-N	416.525	3.771	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3nc(-c4ccc(F)cc4)no3)cs2)cc1	751944083	AIKGQAYZIBZSMT-UHFFFAOYSA-N	410.430	3.862	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCN(c4ncccc4F)C3)c2C)cc1	755579023	SKYOXAQMDRFPPS-KRWDZBQOSA-N	408.477	3.646	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ncc(Cc2ccccc2)s1)c1ccc(N(C)C)cc1	756177021	URLNAUJKJLAOTM-HNNXBMFYSA-N	408.527	3.616	10	20	HHCD	
C[C@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc2ccccc2c1O	756457512	RAMYPDVUPXPIOQ-YJBOKZPZSA-N	406.482	3.521	10	20	HHCD	
COc1ccc(OC(F)F)c(CNC(=O)NCc2c(O)ccc3c2CCCC3)c1	756961464	UDDSKUDCPJXJDZ-UHFFFAOYSA-N	406.429	3.880	10	20	HHCD	
CCCCC[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1=O	761096801	LFAWWRSJKQYBEO-QGZVFWFLSA-N	413.440	3.543	10	20	HHCD	
O=C1N[C@H](c2cccs2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761634707	FCIZFVCFBSTFOC-CZUORRHYSA-N	407.442	3.611	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)c3noc(-c4ccccc4)n3)CC2)cc1	761656227	SXLVLPHAYQSEOM-MRXNPFEDSA-N	421.501	3.774	10	20	HHCD	
CCN(CC)Cc1ccccc1CNC(=O)NCc1cccc(Br)c1O	764760536	IHAXXYJQSAPKJT-UHFFFAOYSA-N	420.351	3.996	10	20	HHCD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CCC2	765242261	PPRBLPXZLYQOLB-UTKZUKDTSA-N	411.550	3.738	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1	765471680	IPRAKRYCSIADLC-SFHVURJKSA-N	415.603	3.866	10	20	HHCD	
C[C@@H](NCc1ccccc1OCCN(C)C)c1ccc(N2CCOCC2)cc1Cl	765476448	UTQOMELKSKCJSN-GOSISDBHSA-N	417.981	3.968	10	20	HHCD	
Cc1n[nH]c(C)c1[C@@H]1COCCN1CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	766278791	JDHHXAVAFGZMFE-NRFANRHFSA-N	410.493	3.829	10	20	HHCD	
Oc1c(Br)cccc1CN1CCC(n2cc(Br)cn2)CC1	769398705	AWVSSSLIMZMMSH-UHFFFAOYSA-N	415.129	3.951	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(CO)(Cc2ccccc2)CC1	770229012	GAGQABPXCQLEOQ-UHFFFAOYSA-N	407.558	3.814	10	20	HHCD	
CCCCn1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C	772059255	WBDHATBIDDLNEE-HOTGVXAUSA-N	402.514	3.674	10	20	HHCD	
CC[C@H](O)CN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	772600161	VNMGLAANLKZUPP-QFIPXVFZSA-N	411.546	3.647	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)c1cn(C)c2ccccc12	773611547	OBEUWSRSSGTOTM-CQSZACIVSA-N	414.889	3.843	10	20	HHCD	
CC(=O)c1ccc(N2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)c(F)c1	773612273	LGBSMIPNWZJYSV-MRXNPFEDSA-N	412.509	3.687	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2O)c1	775714584	UBQCTGRTECXNCN-UHFFFAOYSA-N	409.873	3.790	10	20	HHCD	
COc1cc(O)c(CNC(C)(C)COc2ccc(C(F)(F)F)cn2)cc1OC	776253033	KXBFJUZNMGXMJL-UHFFFAOYSA-N	400.397	3.770	10	20	HHCD	
CCC(CC)[C@H]1C[C@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCO1	778750168	UWMKYGJCQIYFKA-DENIHFKCSA-N	403.567	3.901	10	20	HHCD	
C[C@H](NC(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	779660571	JHAMIBQLZQQWIK-INIZCTEOSA-N	404.555	3.902	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cc4[nH]ccc4cc3C)CC2)cc(OC)c1OC	782088036	PKHFGJQNTITCFT-UHFFFAOYSA-N	424.501	3.856	10	20	HHCD	
Cc1ccc([C@H](CCn2cncn2)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	783222564	NARRYLBEUDFFIX-QHCPKHFHSA-N	423.536	3.608	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1OC(F)F	783316857	PYIFUXSTSISKAM-UHFFFAOYSA-N	423.435	3.869	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)cc1	783910408	JTYTVGFRZVSRBC-GOSISDBHSA-N	424.463	3.666	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](c2cccs2)C2CC2)cc1F	785783898	PMLUVXSATHTZDJ-IBGZPJMESA-N	403.523	3.617	10	20	HHCD	
CCS(=O)(=O)c1ccccc1NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	786052940	NYRGDXITBFZKFE-IYBDPMFKSA-N	406.523	3.845	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)cc1	786117981	WICAYIQOOLYRGC-SFHVURJKSA-N	422.529	3.624	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4ccc(C(C)C)cc4[nH]3)cc2)CC1	787327910	PIEWRRBFGIFDAH-UHFFFAOYSA-N	418.541	3.890	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Cc3cccc(C(F)F)c3)CC2)cc1	790484172	UORBPYYMAFFANE-UHFFFAOYSA-N	417.500	3.504	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(OC)cc1F	791245922	GZLUNKGWLJBOKW-UHFFFAOYSA-N	402.466	3.837	10	20	HHCD	
COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(O)cc1SC	792703319	UBQARQVRORUCLP-UHFFFAOYSA-N	409.510	3.916	10	20	HHCD	
Cc1nc2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc2n1C	793115117	COKKZSSISFUOOI-GJZGRUSLSA-N	410.493	3.564	10	20	HHCD	
COc1ccc(CNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c(O)c1	794376779	BFFGODYSTQGJAW-HXUWFJFHSA-N	412.486	3.552	10	20	HHCD	
CCN(CC)c1ccc(CN[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1F	794811295	WRGJASOKRINZFK-MRXNPFEDSA-N	407.555	3.787	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCc1cccc(Cl)c1	803468204	SHWYUCGKALFVCG-UHFFFAOYSA-N	401.938	3.504	10	20	HHCD	
Cc1ccccc1C(C)(C)CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	803696938	PESCKFINVNBKBD-UHFFFAOYSA-N	420.509	3.916	10	20	HHCD	
CC[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)cc(Cl)c1O	806148148	CVHIMXBXWWQSDK-RISCZKNCSA-N	424.371	3.636	10	20	HHCD	
C[C@@H]1[C@H](NC(=O)NCc2cccc(Br)c2O)CCN1Cc1ccccc1	807622429	SRICWNUZGOZKTH-RDTXWAMCSA-N	418.335	3.617	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3ncccn3)c2C)c1	812604650	WRLUBMHVTAUXIE-UHFFFAOYSA-N	409.511	3.965	10	20	HHCD	
O=C(COC(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1ccc(O)c(O)c1	815301394	BMQGAGUVCWTVAB-UHFFFAOYSA-N	405.834	3.897	10	20	HHCD	
Fc1ccc([C@@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2nc[nH]n2)cc1	815584879	RNQPUUABBJWKGE-QFBILLFUSA-N	417.435	3.893	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(CNCc2cc(Cl)c(F)cc2O)cc1	816540860	WMOBDNIGCIMFGI-UHFFFAOYSA-N	400.903	3.503	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@@H]1COCCO1	916438367	JSVNPVDXVDWSLB-MJGOQNOKSA-N	408.420	3.714	10	20	HHCD	
CC[C@H](C)[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	917832189	MXOWOLHUBHGTGY-ZEYPLWLESA-N	407.558	3.834	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C3=NO[C@@H](c4ccccc4)C3)cc2F)C[C@@H](C)O1	919693015	XQXGDPGKYKZACP-ZMPRRUGASA-N	411.477	3.573	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cn1ncc2cn(-c3ccccc3)nc2c1=O	919941104	ALSAVFWLRQOMHT-UHFFFAOYSA-N	416.529	3.516	10	20	HHCD	
Cn1ncc2c(O)nc(COC(=O)c3ccccc3N=Nc3ccc(O)cc3)nc21	920509181	LFQCLXOJIAKMAQ-UHFFFAOYSA-N	404.386	3.547	10	20	HHCD	
CS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1	1322504445	ZNWOJHPPHRNWQZ-UOVPBQLFSA-N	409.571	3.865	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)c1	1324911996	OAXZDGAHBWZXIQ-XMSQKQJNSA-N	412.917	3.962	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1	24187388	GCTKOKQZYHJCII-UHFFFAOYSA-N	406.530	3.751	10	20	HHCD	
O=C(NCCOc1ccc(Cl)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	43789922	CCQRCQWCGLVVPZ-LJQANCHMSA-N	404.894	3.815	10	20	HHCD	
CCN1CCN([C@H](C)CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1	302999359	ZAULRDDENUFCJN-HXUWFJFHSA-N	410.606	3.973	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1ccccc1C(F)(F)F	485431966	CZUXJDJEKFOHFK-UHFFFAOYSA-N	400.422	3.500	10	20	HHCD	
O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1C[C@H](CO)Cc2ccccc21	646527447	BJJZAYNWABCJQN-HXUWFJFHSA-N	424.504	3.805	10	20	HHCD	
COc1cc([C@H](C)NCc2cc3c(cc2O)OCO3)ccc1OCc1ccncc1	725845551	DPBNRMURJDIACE-HNNXBMFYSA-N	408.454	3.954	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)c3ccc4c(c3)CCC(=O)N4)CC2)cc1	726611976	VQSIMNPEUUZOTP-MRXNPFEDSA-N	422.529	3.609	10	20	HHCD	
C[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCC[C@H]1C	726612680	DFWKYCQKHFNDKZ-SJORKVTESA-N	424.536	3.819	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)Cc3ncc(C)c(OC)c3C)CC2)cc1	726713760	QXEQIENDLWPYPR-UHFFFAOYSA-N	412.534	3.526	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3c(C)cc(C)cc3Cl)CC2)cc1	726726464	RBXIEJCIDXUOPR-UHFFFAOYSA-N	415.921	3.689	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	727708055	JDAOTLGEBBDQGY-TXEJJXNPSA-N	423.391	3.556	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCCCCc3ccccc3)cc2)C1	727846566	ONKAIHKLUHWUDE-QFIPXVFZSA-N	422.573	3.601	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(N2CCOCC2)cc1	728694287	SXXBKSNFIFWOHB-MRXNPFEDSA-N	408.502	3.681	10	20	HHCD	
CC(C)CC(CC(C)C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	728961304	GDXRJAPMMQTGGC-IBGZPJMESA-N	402.583	3.648	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)c1	728978030	KOPSVVQVZMGPII-CQSZACIVSA-N	403.500	3.960	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1-c1ccc(F)c(Cl)c1	731182785	ITTRRNMFWGZRDX-UHFFFAOYSA-N	413.884	3.898	10	20	HHCD	
O=C(N[C@@H]1CCOc2ccc(F)cc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	731761182	WGATXOHOCBRJSU-PKOBYXMFSA-N	400.450	3.746	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c1	734065250	XMBDGGKJTUYKKR-UHFFFAOYSA-N	405.454	3.653	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1nc2ccccc2s1	734166733	DFFMJZXFJZUQOQ-AWEZNQCLSA-N	414.506	3.832	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	734191000	NOHCEHPUHAOKHY-MAUKXSAKSA-N	404.894	3.588	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)CCCn3ccccc3=O)c2C)c1	735146119	RCKPJUJSVDZJRB-UHFFFAOYSA-N	406.482	3.771	10	20	HHCD	
CCN(CC)c1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cc1F	740167760	MMTQAUINKQLFPQ-AQTBWJFISA-N	407.580	3.967	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N2CCNC2=O)ccc1Cl	742058042	YORKDDSMYSXOLZ-UHFFFAOYSA-N	400.910	3.598	10	20	HHCD	
CCOC(=O)c1c(NC(=O)Cn2nnnc2C(C)C)sc(C)c1-c1ccccc1	743822383	QGXIRDKVYYNLSU-UHFFFAOYSA-N	413.503	3.649	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)ccc21	746726176	ORBYPWTUPVUFKE-QFIPXVFZSA-N	406.574	3.780	10	20	HHCD	
CO[C@H](C)c1noc(CN(C)C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	748988208	XRADZABJBDZYFL-CQSZACIVSA-N	422.445	3.790	10	20	HHCD	
O=C(CCN(Cc1ccccc1O)C[C@H]1CCCO1)N[C@H]1CCCc2ccccc21	749294982	AHEGZCHBEXCFAT-GGAORHGYSA-N	408.542	3.957	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)c(C)n1-c1cccc(C(C)C)c1	752704798	GLVRSCYATYDVRP-JOCHJYFZSA-N	411.546	3.618	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)c1	752977941	OVJKARZMZIHFND-CQSZACIVSA-N	410.478	3.691	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c4c(nc5ccccc35)CCC4)CC2)cc1F	753741059	BCEZWEAIUCLKNY-UHFFFAOYSA-N	405.473	3.834	10	20	HHCD	
Cc1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1	756430787	LDOPDZPHQGTDTP-ROUUACIJSA-N	402.560	3.972	10	20	HHCD	
C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc(Br)cc(F)c1O	756434937	RTFVYNGIYQILFF-NSHDSACASA-N	416.312	3.689	10	20	HHCD	
C[C@H](NCc1cccc(OCCN(C)C2CCOCC2)c1)c1ccc(F)cc1O	756538853	GKOWBXHLZRTETE-KRWDZBQOSA-N	402.510	3.872	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	757651737	FQBSDUVMCRQCTQ-QTEQDKRBSA-N	422.573	3.546	10	20	HHCD	
CCNc1nc(C)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	759223588	JLPABSMAHJIHQB-BETUJISGSA-N	406.527	3.566	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F	761619086	VMEQLWYUZNLACC-UHFFFAOYSA-N	423.391	3.829	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1O	763093395	YGABJRRYDBOBAJ-KUHUBIRLSA-N	421.900	3.686	10	20	HHCD	
CCc1ccc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)o1	765278417	ZKSZZIRKVOTVPF-QGZVFWFLSA-N	409.509	3.949	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(O)nc(C2CC2)c1	771139592	BUVXVJAODHJCEN-UHFFFAOYSA-N	403.429	3.665	10	20	HHCD	
Cc1nc([C@H](NCc2ccc(N3CCN(C)CC3)cc2)c2ccc(Cl)cc2)no1	771871603	GCOJYVQQXBUIHO-OAQYLSRUSA-N	411.937	3.662	10	20	HHCD	
CC(=O)c1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1	772310598	BGVSNFQKPMORSJ-QGZVFWFLSA-N	415.490	3.544	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	772312811	JDDMMWFHNWAIKV-AWEZNQCLSA-N	405.401	3.903	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(F)(F)F)nc1Cl	772708873	SNDWWBVVNJSMQS-UHFFFAOYSA-N	413.827	3.863	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1	773295514	WKVFKCANKNFWKS-VIFPVBQESA-N	416.783	3.889	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1O	775051804	QRSFZOUATMDBQM-LBPRGKRZSA-N	412.273	3.984	10	20	HHCD	
COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2cccc(Br)c2O)c1	775148053	WYVLQDWLUNROOP-LBPRGKRZSA-N	423.307	3.679	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1	775190076	JGGVKIBGWDHXLB-NRFANRHFSA-N	411.571	3.514	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F	775999270	IVGJVKVSKADYAE-HNNXBMFYSA-N	420.334	3.845	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C3(c4ccc(OC)c(OC)c4)CCCC3)CC2)cc1	776739910	WZFXAUDYJNACNM-UHFFFAOYSA-N	424.541	3.873	10	20	HHCD	
CN(C)c1ccc(CNC(=O)COc2cc(OCc3ccccc3)ccc2C=O)cc1	783921123	CQICPYGTNPSVFI-UHFFFAOYSA-N	418.493	3.839	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3ncc(Cl)cc3Br)cc2)CC1	784472938	PXXCRYJEDMQGLC-UHFFFAOYSA-N	423.742	3.778	10	20	HHCD	
Cc1cc(C)nc(SCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	786744415	QGHHQZNYWUEXPQ-IRXDYDNUSA-N	417.550	3.860	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)Sc1ccccn1	791251012	VXWIZRGKOROKMN-INIZCTEOSA-N	415.559	3.951	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@](CO)(c4ccccc4)C3)c2C)cc1	794732408	VJHPIEUKMPEYFJ-RUZDIDTESA-N	404.510	3.879	10	20	HHCD	
COc1ccc(C[C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1OC	796701896	IQRKDYWYXHNQHQ-INIZCTEOSA-N	416.537	3.833	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCN2CCN(C)C(C)(C)C2)cc1	799745069	FPAMHCXQHUVIGR-UHFFFAOYSA-N	422.577	3.924	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCC[S@@](=O)C(C)(C)C)cc2Cl)C1	799930152	MYGLLPLJDBWJAS-KUNJGFBQSA-N	414.015	3.923	10	20	HHCD	
Cc1ccc(CC[C@H](C)NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)o1	805025078	NSWZNYOSZVTSPC-SFHVURJKSA-N	411.546	3.578	10	20	HHCD	
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	806493700	BEBPHDLJEDQSPD-RLLQIKCJSA-N	414.594	3.745	10	20	HHCD	
COc1ccccc1[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807673029	LXMGAZSRRYCPLL-UTKZUKDTSA-N	409.530	3.692	10	20	HHCD	
C[C@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC[C@H]1N1CCN(C)CC1	809585219	FGSVNNXERVSOPO-BKMJKUGQSA-N	418.629	3.707	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(C4=CCCC4)cc3)cc2)C1	810183058	QYCCLKNBAMYLJW-QFIPXVFZSA-N	403.526	3.886	10	20	HHCD	
Cc1cc(CC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccc(Cl)cc1	840504547	IDNORNSYEGEGAY-UHFFFAOYSA-N	417.918	3.576	10	20	HHCD	
O=C(NCc1ccccc1Cn1ccnc1)N(Cc1ccccc1O)C[C@H]1CCCO1	916230879	PRAWQLXVALFWRJ-JOCHJYFZSA-N	420.513	3.528	10	20	HHCD	
COc1ccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c([N+](=O)[O-])c1	917416858	BJOJMMYQIANIBD-UHFFFAOYSA-N	400.479	3.519	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(OC4CCCC4)cc3)cc2)C1	917834615	LEBOJFVLTNBKNC-HXUWFJFHSA-N	421.541	3.640	10	20	HHCD	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C	917927682	BSGRDDSSJIPJCB-UHFFFAOYSA-N	403.504	3.631	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)COc3ccccc3)cc2F)C[C@H](C)O1	918090648	QBYKRGYOEVAZLS-SQNIBIBYSA-N	415.509	3.706	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(-c3cnco3)c2)C2CC2)cc1	919664382	ATAGWAZLGGFZHU-UHFFFAOYSA-N	404.470	3.537	10	20	HHCD	
C[C@H]1CN(Cc2cccc(CNC(=O)NCc3ccc(N4CCCC4)cc3)c2)CCO1	920238612	YUESGAYTDWIOQN-FQEVSTJZSA-N	422.573	3.507	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c1	1323015858	LITGSVFRIJIHAF-UHFFFAOYSA-N	412.921	3.723	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1	195565191	VRNHFKRGXMVCKA-UHFFFAOYSA-N	408.546	3.509	10	20	HHCD	
COc1cccc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1O	237499610	DPKBYCVURDQSPC-UHFFFAOYSA-N	422.504	3.551	10	20	HHCD	
Cc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2O)n(Cc2ccc(F)cc2)c1C	303410258	URSYFDFXSRLPNW-UHFFFAOYSA-N	420.488	3.940	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1	303954878	JUXHMKSLYJTTGQ-JOCHJYFZSA-N	420.557	3.583	10	20	HHCD	
CCN(C[C@@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1)CC(F)(F)F	472227062	ZDKYMYHGVMLQOQ-INIZCTEOSA-N	410.484	3.902	10	20	HHCD	
Cc1c(CNC(=O)CNC(=O)c2ccccc2C(F)(F)F)n(C)c2ccccc12	473276570	UNDRPYLUDRUGDT-UHFFFAOYSA-N	403.404	3.552	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCN(c4cccc(OC)c4)C3)ccc21	484336199	RNBQWRZFMHZGQX-HXUWFJFHSA-N	421.541	3.922	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H](c1ccccc1)[C@@H]1CCCO1	726707299	UREXJORBISDOKM-BJKOFHAPSA-N	423.557	3.615	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(CC(C)C)cc3)n2)c[nH]1	727247584	DHTVRJKZFJUVOT-UHFFFAOYSA-N	419.528	3.924	10	20	HHCD	
O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1	727249900	DPDCZSHEVNTMMN-UHFFFAOYSA-N	417.487	3.877	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c1	731685303	XEBITUAQRUKWND-GFCCVEGCSA-N	416.865	3.707	10	20	HHCD	
COc1ccc(C2(CNC(=O)NCc3ccc(N(C)C)cc3C)CCOCC2)cc1	734524702	IPPSZTYCZPMCKE-UHFFFAOYSA-N	411.546	3.617	10	20	HHCD	
CCOC(=O)c1cnc2nc(C)ccc2c1N(C)Cc1ccc(N2CCOCC2)cc1	736284506	ZFMDYHGPVURBAA-UHFFFAOYSA-N	420.513	3.588	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1c(C)nn(-c2ccccc2)c1C	737117993	WVTDUPWSNPJHRP-UHFFFAOYSA-N	419.529	3.542	10	20	HHCD	
COc1cccc(C(=O)N2CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)CC2)c1	738018587	JIZFQOKHNXHOLL-UHFFFAOYSA-N	420.509	3.984	10	20	HHCD	
Cc1ccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	738501479	WJCJXDKNZFWGKZ-CQSZACIVSA-N	405.539	3.587	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@H](c4ccccc4OC)C3)CC2)cc1	739005278	OPMXRKZZBZZCAP-SFHVURJKSA-N	409.530	3.872	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(OC(F)F)cc1C	742345815	BRGNPEZWBMQJLH-MDWZMJQESA-N	401.456	3.971	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ncccc23)NC(=O)OC(C)(C)C)cc1	742751839	XCIKDOZHJDDSCE-LJQANCHMSA-N	423.517	3.625	10	20	HHCD	
COC(=O)CN(C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C1CCOCC1	742957058	ZEHSGWDUVCMDIU-UHFFFAOYSA-N	404.894	3.542	10	20	HHCD	
CN(C)c1cc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2n1	743552868	UGLVSPBCSYVQHN-UHFFFAOYSA-N	403.530	3.900	10	20	HHCD	
O=C(NC1CCN(C[C@@H]2CCOC2)CC1)N(Cc1ccccc1O)C1CCCCC1	745830669	CGSLOOFSXLOLIR-IBGZPJMESA-N	415.578	3.737	10	20	HHCD	
CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCc1ccc(N(CC)CC)cc1	749095379	HWLBUSWPLPPXDP-UHFFFAOYSA-N	410.971	3.695	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)CC2)cc1F	753920565	XAXLPMZDFRBYCF-OXJNMPFZSA-N	407.530	3.507	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3nc(-c4ccccc4)cs3)nc12	754766676	PAOFKRQBRZTZNC-CYBMUJFWSA-N	423.498	3.586	10	20	HHCD	
C[C@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1O	756784301	MALIHBWLKVTJDV-GOEBONIOSA-N	403.320	3.854	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(C)s1	757551508	LZRSXKCBTVRNDI-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
COc1ccc(N(C)CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1F	757857823	PDBAOADPUIZDJN-QFIPXVFZSA-N	402.466	3.555	10	20	HHCD	
O=C(c1ccc(O)cc1)C1CCN(C(=O)NCCCSc2nccs2)CC1	759590444	KLKOIZUVEOSEJQ-UHFFFAOYSA-N	405.545	3.635	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1	764239704	CQEUKACVEPYDRT-INIZCTEOSA-N	419.547	3.913	10	20	HHCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1	764635786	PRJULEAQAYAAES-KRWDZBQOSA-N	413.543	3.675	10	20	HHCD	
COC[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(F)c(F)c1	764807792	VUGQSUUBDLPVCC-HNNXBMFYSA-N	415.234	3.620	10	20	HHCD	
Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cn1	765250240	IARWITFTTHKTSA-INIZCTEOSA-N	411.937	3.917	10	20	HHCD	
O=C(CCc1cnn(-c2ccccc2)c1)NCc1cccc(Br)c1O	765753836	QMDVFZLHBIUJCC-UHFFFAOYSA-N	400.276	3.589	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCN(C4CCCCC4)C3=O)c2C)cc1	766275368	HCGPDYYGPURUGZ-JOCHJYFZSA-N	409.530	3.766	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C	767995396	PDHQWBPVQHHTTP-UHFFFAOYSA-N	411.502	3.617	10	20	HHCD	
C[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771054731	VULSDGCJEFFEBE-WMLDXEAASA-N	406.885	3.733	10	20	HHCD	
COC(=O)CN(C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C1CCOCC1	772154809	WKZWQKXNSHVVJP-UHFFFAOYSA-N	424.501	3.962	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)c1ccc(N(C)C)cc1	773086028	BLMMUOYFPSFPKA-LLVKDONJSA-N	401.301	3.694	10	20	HHCD	
CCC(=O)N1CC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)C1	773224818	SMQLWUSLBPLNTI-FQEVSTJZSA-N	422.525	3.567	10	20	HHCD	
C[C@@H](NC(=O)NCc1cc(Br)c2c(c1)OCO2)c1ccc(N(C)C)cc1	773622919	IRCVDPYGUZWLBS-GFCCVEGCSA-N	420.307	3.804	10	20	HHCD	
C[C@H]1CCCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)C1	773855354	GZFAJLVZVWFYGO-RBUKOAKNSA-N	422.573	3.800	10	20	HHCD	
C[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(Cl)c(Cl)cc1O	774226793	RWUHXYPBCZXYCS-QMMMGPOBSA-N	421.268	3.664	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC[C@H]1c1cccs1	775253757	DPTGHRSZAWRVOM-LQWHRVPQSA-N	413.587	3.988	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	775728495	IMBJHDVXOWNKML-JKSBSHDWSA-N	415.509	3.799	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1	777668370	WOFMLTFPWCRVSW-UHFFFAOYSA-N	424.529	3.863	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(O)(C(F)F)CC3)c2C)cc1	778302629	GDNUYADILKPBQF-UHFFFAOYSA-N	406.473	3.768	10	20	HHCD	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCCc1ccc(O)c(O)c1	778389301	MIFGFXYRRMVRRX-UHFFFAOYSA-N	423.309	3.873	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(C(=O)c4cccc(O)c4)cc3)CC2)cc1	780156397	OFTSRHWQTMPXCI-UHFFFAOYSA-N	416.477	3.594	10	20	HHCD	
CCOC(=O)[C@@H]1CCCN(C(=O)CN(Cc2ccccc2)c2ccc(OC)cc2)C1	781297443	DSVFQVXNOGUBHR-HXUWFJFHSA-N	410.514	3.504	10	20	HHCD	
C[C@@H](NC(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccc(N2CCOCC2)cc1	782249258	HKFGDVLTGVDNMG-MRXNPFEDSA-N	408.477	3.554	10	20	HHCD	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1	782667341	ASUQAXGUUXDYJP-OAHLLOKOSA-N	408.420	3.626	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1	784109940	ZRPZUOYXZALIJD-UHFFFAOYSA-N	420.513	3.706	10	20	HHCD	
Cc1cscc1CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	787602289	AVFZYIYKMJLVTA-UHFFFAOYSA-N	408.526	3.554	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	788088306	KQGMRELXDWZPLC-XUEUYAKLSA-N	410.514	3.521	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(OCCOC(C)C)c1	788783312	QSAFCQXXWBEOLB-UHFFFAOYSA-N	404.482	3.634	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c(C(F)(F)F)c1	792865666	YHVQGILBMRJIIT-HXUWFJFHSA-N	420.479	3.833	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC2(CCC2)[C@@H]1C1CC1	793426131	ATCNBTHUUNBWTN-SFHVURJKSA-N	418.540	3.659	10	20	HHCD	
COc1cc(CN(C)Cc2cn(-c3cccc(Br)c3)nn2)c(O)cc1C	794880924	JMIJIBYBWFQRQH-UHFFFAOYSA-N	417.307	3.684	10	20	HHCD	
CN(CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C(=O)OC(C)(C)C	795853745	CUDTWPBBQDOOCL-HXUWFJFHSA-N	419.566	3.517	10	20	HHCD	
CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2cc(Cl)cc(Cl)c2O)s1	796530248	SJEFYSXWCNTNHQ-IUCAKERBSA-N	403.335	3.866	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H]3c3nc(C)no3)c2C)cc1	796697264	WUEUYAJAHRDVSP-HXUWFJFHSA-N	422.485	3.592	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1C[C@H](c2cccc(F)c2)C1	798093757	VEFABODNFHZNHQ-UAPYVXQJSA-N	415.484	3.671	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](C)c3nnc4n3CCC4)cc2Cl)C1	799923979	ZOVVIMZVGDJMDH-HUUCEWRRSA-N	416.957	3.674	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCCO[C@H]3CCOC3)cc2Cl)C1	799947792	OFUYAEPJKRSTAE-AEFFLSMTSA-N	409.958	3.571	10	20	HHCD	
CC(=O)N1CCC[C@@H](CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	799984436	YXCMVYGSTDJMFD-APWZRJJASA-N	420.985	3.634	10	20	HHCD	
CN1CCN(c2ccc(CN3CCOC[C@H]3c3nc4ccccc4s3)cc2)CC1	800534905	QRDKXZRZQNIDPZ-NRFANRHFSA-N	408.571	3.622	10	20	HHCD	
Cc1cc(C(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)c(C)n1-c1ccccn1	800683578	ZYPAFBCKSVKCIF-GOSISDBHSA-N	404.514	3.781	10	20	HHCD	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	803663967	CIRIMUCBYFVWHR-CQSZACIVSA-N	420.554	3.616	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1	807179635	XGTMFZOHYIZCQO-JTHBVZDNSA-N	407.558	3.629	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCCS3)cc2Cl)C1	807954393	QQJFXVUTTNBUDY-RDJZCZTQSA-N	424.010	3.594	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)C(=O)OC2	808886866	GFWIHECMYUOIBQ-UHFFFAOYSA-N	405.248	3.879	10	20	HHCD	
Cc1cc(Br)cc(CNc2cc(C(N)=O)ccc2OCC(F)F)c1O	811521032	XKEGGKWEHTYGJM-UHFFFAOYSA-N	415.234	3.818	10	20	HHCD	
CC(C)NS(=O)(=O)c1cccc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)c1	815563466	DBLHULUVKRHRCF-CYBMUJFWSA-N	416.465	3.949	10	20	HHCD	
C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3cc(Cl)c(F)cc3O)cc2)C1=O	816602812	NNTRUJLLUDFGFO-NRFANRHFSA-N	417.868	3.699	10	20	HHCD	
Cc1cc(CCNC(=O)Nc2ccccc2S(C)(=O)=O)c(C)n1-c1ccccc1	915336728	FGEYHVOJSBHVLC-UHFFFAOYSA-N	411.527	3.862	10	20	HHCD	
Cn1ccnc1[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	916220610	PXIUUPBDYOBFRI-IFMALSPDSA-N	420.513	3.606	10	20	HHCD	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)c1ccc(O)c(O)c1	916591194	XBLDJVQKNAPXOS-UHFFFAOYSA-N	414.845	3.653	10	20	HHCD	
CC(=O)Nc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1F	916677407	OBNFDBKVVYUJIJ-KRWDZBQOSA-N	401.438	3.703	10	20	HHCD	
CCC(CC)C(=O)N1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1	918232541	ZTVREESCIGBXFZ-UHFFFAOYSA-N	400.567	3.513	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)cc1	1116225531	MDPLQZXNYNOPQT-UHFFFAOYSA-N	412.490	3.807	10	20	HHCD	
CCN(Cc1ccncc1)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1319660216	MSDLMYVCXIBVFG-INIZCTEOSA-N	413.477	3.706	10	20	HHCD	
COc1ccc(C[C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	1320976185	QWSPEWQTWPSSGZ-MOPGFXCFSA-N	411.546	3.865	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2	7229127	JIYFIRFFIOSKEY-UHFFFAOYSA-N	417.509	3.605	10	20	HHCD	
C[C@@H](NC(=O)NCCCCOc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	65434190	SNBHOTVZJGZVLA-GOSISDBHSA-N	415.509	3.882	10	20	HHCD	
COc1ccc(N2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)CC2)cc1	195669579	QWLLATKEDRTTNX-UHFFFAOYSA-N	414.449	3.705	10	20	HHCD	
OC1CCN(c2ccc(CNc3nnc(Cc4ccc(F)cc4)s3)cc2F)CC1	302096686	JNJLSJVCNPDQLL-UHFFFAOYSA-N	416.497	3.980	10	20	HHCD	
Cc1sc(Br)cc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	316658630	XYBPKJCVTNHQJO-UHFFFAOYSA-N	403.367	3.706	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H](N2CCCC2)C1	726722895	XFOABWCTRSBDLY-LJQANCHMSA-N	422.520	3.527	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CCCC[C@H]2C(N)=O)c(C)n1-c1ccc(OC(F)F)cc1	727239060	XPNMUIIBOJJHAX-KXBFYZLASA-N	419.472	3.607	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc4ccccc4c3)n2)c[nH]1	727247814	OMYKAKXIPLTNTF-UHFFFAOYSA-N	413.480	3.879	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(N4CCCC4)c3)cc2)CC1	731132298	YRPJEKCRMCGFKP-UHFFFAOYSA-N	420.557	3.778	10	20	HHCD	
CCOc1ccc(C(C)=O)cc1CN(CC(=O)OC)Cc1cc(Cl)ccc1O	732203275	UTUGCJSWYVGHOQ-UHFFFAOYSA-N	405.878	3.822	10	20	HHCD	
COc1ccc(O)c(CNCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1	734003680	SPIPSFCRAJNFBD-UHFFFAOYSA-N	416.352	3.549	10	20	HHCD	
COCCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1	735328460	BWOLPGMUDSHIQJ-ZDLGFXPLSA-N	415.492	3.846	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1OC	740610213	UAQXCJXRKPCQON-UHFFFAOYSA-N	418.515	3.519	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)ccc1OC	741136342	RRWFJBCEDMAGQF-UHFFFAOYSA-N	418.515	3.663	10	20	HHCD	
Cc1nn(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c1Cl	742806264	QZMIPHINERQGOH-AWEZNQCLSA-N	412.868	3.540	10	20	HHCD	
Cc1cccc2oc(CCNC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)nc12	743565343	VSNAEFRQRKYSSV-KRWDZBQOSA-N	408.502	3.576	10	20	HHCD	
Cc1nc(C)c(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	743601076	UGJRERNBKORPQE-HNNXBMFYSA-N	424.517	3.872	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1F	743665321	JUJCIVGBONJLBN-AEFFLSMTSA-N	422.545	3.774	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1O	745292463	CCTKXOUBPJEIQR-KRWDZBQOSA-N	403.548	3.735	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(-n2cccn2)c1	745779644	PPCIZTFSLYKTDK-MOPGFXCFSA-N	419.529	3.830	10	20	HHCD	
C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCCCSc1nccs1	746020437	VMKFCROCOAGJOX-STQMWFEESA-N	415.581	3.502	10	20	HHCD	
O=C(CSc1nnc(C2CC2)s1)Nc1cccc2c1C(=O)c1ccccc1C2=O	746391790	AMOOLCNNAAPKHM-UHFFFAOYSA-N	421.503	3.922	10	20	HHCD	
Cc1ccc(-n2nc(C)c(NC(=O)CN3CCOc4cc(N(C)C)ccc43)c2C)cc1	746496931	KMNOMGQANQUAHO-UHFFFAOYSA-N	419.529	3.701	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)s1	749920660	YGJDDIBPBDVGFH-DZGCQCFKSA-N	405.951	3.523	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1F	751791293	XSFSKTBVQPPULR-GOSISDBHSA-N	424.520	3.718	10	20	HHCD	
CC(C)[C@H](NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1	751930638	GVMALWKOYXASKC-QFIPXVFZSA-N	423.538	3.986	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(F)c(F)c1	751946206	XSSXMDXEZMGITA-LLVKDONJSA-N	417.437	3.778	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3nccnc3Sc3ccccc3)CC2)cc1F	752524951	FYTCVLZNWUEOKW-UHFFFAOYSA-N	424.501	3.738	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c(C)n1-c1ccc(F)cc1	753027850	XSNZRFBSRUKOCE-JOCHJYFZSA-N	420.488	3.549	10	20	HHCD	
COc1ccc(N2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)cc1F	753856532	GCJRLCGAQZXOOF-UHFFFAOYSA-N	402.857	3.860	10	20	HHCD	
COc1ccc(CC[C@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753880240	CVGOKUTWEPYUTA-KRWDZBQOSA-N	415.509	3.696	10	20	HHCD	
C[C@H](N[C@@H]1CCCC[C@H]1N1CCOCC1)c1cc(Br)c(F)cc1O	756659947	QUBCEJQYMBMYQW-JCURWCKSSA-N	401.320	3.588	10	20	HHCD	
COc1cc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc(OC)c1OC	759879459	WAHKSMQVMXJENF-UHFFFAOYSA-N	405.564	3.789	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C3=Cc4cc(F)ccc4OC3)cc2F)C[C@@H](C)O1	761358446	HBAOLSNKHITLCL-HUUCEWRRSA-N	414.452	3.671	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Oc2ccc(Cl)nn2)cc1	761651629	ZXVRPKMIUSTNNZ-UHFFFAOYSA-N	400.822	3.698	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3c(=O)o2)cc1	764458863	BWHRYSOIAFJGER-HXUWFJFHSA-N	406.482	3.680	10	20	HHCD	
COc1ccc(COCCCN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	765659730	AVXPWLLQFVVWMA-GOSISDBHSA-N	402.510	3.928	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)C[C@H](O)c3ccc(F)cc3)CC2)cc1	766939282	JXCCBZLKYCGRCU-AOMKIAJQSA-N	415.509	3.615	10	20	HHCD	
CN(C)[C@H](CNCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1	768944444	ADZAETCSGHMFFB-OAQYLSRUSA-N	407.480	3.935	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccc(N2CCOCC2)cc1	769065424	RNVOZBZNCCIJBZ-QUCCMNQESA-N	401.551	3.765	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c[nH]nc1-c1ccc(F)cc1	769382664	ZYEYVVREUNIQEC-UHFFFAOYSA-N	403.841	3.750	10	20	HHCD	
O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771064776	KVQRBQDEJSNFSN-GOSISDBHSA-N	417.893	3.667	10	20	HHCD	
CCCCn1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	772101733	NWVISFNUOVXNLJ-INIZCTEOSA-N	406.477	3.992	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccnn1Cc1ccccn1	772431395	FWAZWOAWYAUJPA-UHFFFAOYSA-N	404.518	3.981	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC(C)(C)COc2ncccc2C(F)(F)F)c1O	775032434	HTUAEAJFELLSJB-UHFFFAOYSA-N	415.368	3.670	10	20	HHCD	
COC(=O)[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1	775172306	APCVENQGZWXYKE-AMGQUURNSA-N	410.253	3.622	10	20	HHCD	
COc1cc(OC)c(C2CCN(Cc3cc(OC)c(OC)cc3O)CC2)c(OC)c1	775648055	OEEJBPUDBGERQV-UHFFFAOYSA-N	417.502	3.815	10	20	HHCD	
COCCN(Cc1cc(Br)cc(Br)c1O)CC(F)(F)F	775665363	OKUMAHKXRLVWBX-UHFFFAOYSA-N	421.051	3.928	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3c(OC)ccc(SC)c3OC)CC2)cc1	775696225	ZBGMYHOAVUCKAA-UHFFFAOYSA-N	416.543	3.833	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc(C(F)(F)F)n1	777550632	ILCSTEFVCCTVQE-UHFFFAOYSA-N	411.339	3.832	10	20	HHCD	
COCc1cccc(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	777558012	VEYFNWYFARUWRT-UHFFFAOYSA-N	422.447	3.547	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)cc2)C[C@@H](C)O1	782566689	OGODQFYJNPEHPS-CALCHBBNSA-N	410.518	3.797	10	20	HHCD	
CCC(=O)Nc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1	784105709	HPRGZHNMBHWJGR-UHFFFAOYSA-N	408.502	3.779	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](C4(C)OCCO4)C3)cc2)CC1	784307689	LBLCNGSKWFJRMU-FQEVSTJZSA-N	401.551	3.608	10	20	HHCD	
NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785229431	WMQFQZKBQPALSQ-MOPGFXCFSA-N	407.474	3.591	10	20	HHCD	
C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(C(F)(F)F)c1O	788602998	QEEKKFPEWWMSSF-XAUMDUMWSA-N	408.464	3.945	10	20	HHCD	
O=S1(=O)CCC[C@@H](CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)C1	792869536	CWTHFUDNISLZEI-BFSLETRISA-N	413.539	3.802	10	20	HHCD	
O=S(=O)(CCc1cccc(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	795852158	WNIXOIFDEPDZLE-LJQANCHMSA-N	409.935	3.599	10	20	HHCD	
C[C@@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc(N2CCOCC2)cc1Cl	797133961	RVSFHJHGPFTMDA-JWIGPWBQSA-N	406.979	3.906	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccnc1I	802658250	PWTUABHRAQEPHC-UHFFFAOYSA-N	410.255	3.834	10	20	HHCD	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	803659891	WGDRHGXCKZBELC-LSDHHAIUSA-N	419.928	3.812	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](CO)c3nc(-c4ccccc4)no3)c2C)c1	804123373	UXAJTQMCCXLEPF-OAQYLSRUSA-N	416.481	3.916	10	20	HHCD	
CCOC(=O)Cc1csc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1	806101450	YJLXZTCPVFNLDZ-UHFFFAOYSA-N	404.275	3.583	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc2n(n1)CCCC2)c1ccc(N)cc1	807001678	BTXDGDLWHROKCN-MRXNPFEDSA-N	403.486	3.535	10	20	HHCD	
COC(C)(C)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	807605714	VVMIZVFDPRRKIS-JKSUJKDBSA-N	423.985	3.512	10	20	HHCD	
Cc1cccc([C@H](NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ccccn2)c1	807670318	CXYWVARTWWRCGB-JPYJTQIMSA-N	416.525	3.539	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)cc1OC	809662961	ONDPIZWVNVSOMD-BSWISCRUSA-N	411.498	3.657	10	20	HHCD	
Cc1cnn([C@@H]2CCN(Cc3cc(Br)cc(Br)c3O)C2)c1	811520150	KJFMWOHBAQKFFO-CYBMUJFWSA-N	415.129	3.869	10	20	HHCD	
COC(=O)c1cc(NCCc2ccc(O)c(O)c2)c2cc(Br)ccc2n1	811811431	UGDUPKIJZRUEOB-UHFFFAOYSA-N	417.259	3.850	10	20	HHCD	
CCc1nc2ccc(Cl)cn2c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	812483858	INLGKYKBPLXQPU-HNNXBMFYSA-N	412.921	3.878	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCCNC2=O)cc1	812876489	FNCPBRNXYOBSFR-GOSISDBHSA-N	421.545	3.767	10	20	HHCD	
COC(=O)CCC[C@H]1CCC[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	815120824	VWGLHVWGTFPCNE-MJGOQNOKSA-N	406.542	3.779	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnn4cccnc34)c2C)cc1C	883993342	ZYTXSZLBTYFAEZ-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
Cc1cc(C)n([C@H](C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	917713267	KBGCLHVDFWQQGQ-KZNAEPCWSA-N	402.514	3.520	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccccc3F)cc2F)C[C@H](C)O1	918223201	YIWZNKIMRYHEOB-HOTGVXAUSA-N	403.473	3.920	10	20	HHCD	
CCc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cn2)c1	918246002	IJUIDRJBUULQII-UHFFFAOYSA-N	418.497	3.757	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c1C	918677285	UTKAMQMJPGAXAZ-QFIPXVFZSA-N	405.498	3.917	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)Cc3ccsc3)cc2F)C[C@H](C)O1	918780734	OJXHYGAHHQKEDC-PMPSAXMXSA-N	405.539	3.931	10	20	HHCD	
Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc(N3CCOCC3)cc2)s1	919859959	LKHMHEPYBATYPC-UHFFFAOYSA-N	413.568	3.876	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CCc4cc(C)ccc43)CC2)cc1	919920242	OFULZHFIDCJYTG-DEOSSOPVSA-N	422.573	3.502	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C)OC[C@H]2CCCO2)c(C)n1-c1cccc(F)c1	921097535	GQOYOLSUDZKDHD-VQIMIIECSA-N	403.450	3.543	10	20	HHCD	
CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(N2CCCC2)cc1	1254011026	RCOZKOYGOAZNGU-UHFFFAOYSA-N	403.324	3.515	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCO[C@@H](c2ccc(Cl)s2)C1	1323381084	ZDZGMUZEUYPDOO-QGZVFWFLSA-N	421.950	3.521	10	20	HHCD	
O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1337000962	KZRHWYGHHMJBOM-UHFFFAOYSA-N	402.542	3.655	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1	12110895	ZKLLWFWQZVZHSA-UHFFFAOYSA-N	409.511	3.787	10	20	HHCD	
O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c(Br)c1	301330732	BGDSYHXOLUDNJH-UHFFFAOYSA-N	410.243	3.945	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)n(C)c2ccccc12	510385083	RVMQMEHTODNZHF-MJGOQNOKSA-N	407.489	3.695	10	20	HHCD	
CCCc1nnc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	726694098	ACTWSDIMPUXYRU-UHFFFAOYSA-N	411.478	3.883	10	20	HHCD	
C[C@@H]1CCCCN1CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726701124	XGQQMBPLMXLNLH-QGZVFWFLSA-N	424.536	3.821	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(-n3ccnc3)cc2)SC1=S	727175913	CQRFNCAAHHMARM-BOPFTXTBSA-N	400.573	3.661	10	20	HHCD	
COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1	727248203	IYELYEJZRQECMM-UHFFFAOYSA-N	415.543	3.532	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c(F)c1	727249758	ADEKUMCZHIEWOD-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Oc3ccc(C(=O)OC)cc3OC)ccc21	728459065	XAXYEQWUUCMMCS-UHFFFAOYSA-N	411.454	3.919	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3N3CCN(C)CC3)ccc21	728460807	WAFFVOGWLXZVKE-UHFFFAOYSA-N	420.557	3.909	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCN(Cc3cccs3)CC2)c1	728953479	ZEDKJULUBFQBLM-OAHLLOKOSA-N	403.548	3.735	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2cc(C(=O)OC)c(C)o2)cc1F	731364978	WQPNPHWNRUHASX-UHFFFAOYSA-N	405.470	3.702	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2SCC(N)=O)cc1F	731398294	HHPSFFDZIYLNDC-UHFFFAOYSA-N	404.511	3.571	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1F	732463183	JMEUKSTVHJIDPY-HNNXBMFYSA-N	410.534	3.727	10	20	HHCD	
Cc1ccccc1[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)C	732676102	HFPKTPWZWFYSOB-NZQKXSOJSA-N	422.573	3.893	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)cc1	733887816	UDJIWUHWNBLBLO-UHFFFAOYSA-N	400.832	3.938	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3cc(-c4ccccc4)no3)CC2)cc1	734004479	KJCGGJJQRZCXOR-UHFFFAOYSA-N	423.538	3.932	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C	735686241	BXIFQVXAXRMOQB-FPOVZHCZSA-N	403.567	3.506	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1	740813217	YGNAZRAORNHRHR-UHFFFAOYSA-N	402.925	3.683	10	20	HHCD	
CC(C)CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H](O)c1ccc(F)cc1	741811681	RNYRSEGZWOGXOS-HSZRJFAPSA-N	415.553	3.542	10	20	HHCD	
COC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1	742284353	WHTNRSFMDXUDHF-UHFFFAOYSA-N	422.934	3.595	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CC[C@H]2CCCCO2)NC(=O)OC(C)(C)C)cc1	742752131	YVHQAACFAFLXPT-UXHICEINSA-N	419.566	3.784	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccco1	743341133	SXJPPTGKUZWWSH-FQEVSTJZSA-N	416.591	3.715	10	20	HHCD	
O=C(NC[C@H]1Cc2ccccc2O1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743534306	RHBADAHHFSFJGS-QFBILLFUSA-N	417.456	3.560	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCc2cccc(C(=O)N(C)C)c2)cc1	743635756	WFCBUEMLUFDAFX-UHFFFAOYSA-N	410.562	3.619	10	20	HHCD	
C[C@@H]1CC[C@H](CCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)O1	743725073	BZMMYXWGLYMMPM-AHRSYUTCSA-N	419.566	3.782	10	20	HHCD	
Cc1noc(C(F)(F)F)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	746018118	VWFSKTXPQYOQQN-QWRGUYRKSA-N	415.387	3.685	10	20	HHCD	
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCCCSc1nccs1	746020435	VMKFCROCOAGJOX-OLZOCXBDSA-N	415.581	3.502	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(N(C)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	749557882	FSJCZDLLKNETRI-HXUWFJFHSA-N	422.573	3.895	10	20	HHCD	
COc1ccc(O)c(CNS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c1	751419162	RYHRONTUOPGFIG-UHFFFAOYSA-N	410.904	3.656	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(N(C)C)cc3F)cc2F)C[C@@H](C)O1	751644103	BSHBHLHAWPCTDN-HUUCEWRRSA-N	403.473	3.574	10	20	HHCD	
C[C@@H](NC[C@H]1CCCN(C)C1)c1cc(Br)cc(Br)c1O	756550653	JKBZSMWUNYFNSC-GHMZBOCLSA-N	406.162	3.910	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c(OC[C@@H]2CCCO2)c1	757706632	LJMAWASADGHNBA-QHCPKHFHSA-N	421.541	3.928	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	758883780	XDRCCBBWRFACOX-QGZVFWFLSA-N	401.551	3.722	10	20	HHCD	
CC[C@@H]1CCC[C@H](NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1	759266415	IYZQKVMEWREKLM-SJORKVTESA-N	405.539	3.513	10	20	HHCD	
COc1ccc(COCCCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1	760376498	GOWKAOJDDBEGHC-UHFFFAOYSA-N	414.571	3.862	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC(C)C	760966235	KRWTVQHQZDSMGD-UHFFFAOYSA-N	417.481	3.780	10	20	HHCD	
COc1cc(Cl)cc(CN2CCOC[C@H]2c2noc(-c3ccccc3)n2)c1O	761215440	PVWHLONHGJAUGK-INIZCTEOSA-N	401.850	3.678	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1Cc2ccccc2C1	762569072	RDIGSRKJPBCSHB-UHFFFAOYSA-N	419.447	3.509	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(OC(F)F)n(C)n2)cc1	767058558	WOQHRFCQPDFQEU-UHFFFAOYSA-N	404.417	3.523	10	20	HHCD	
C[C@H](c1nccs1)N1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1	767481881	JKYNFUFWGRSKIA-MRXNPFEDSA-N	423.538	3.664	10	20	HHCD	
COc1cc2c(c(OC)c1OC)CCN(Cc1cc(Br)ccc1O)CC2	769537546	LWTRNHDQPFKUGI-UHFFFAOYSA-N	422.319	3.781	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@]2(C1)OCc1ccccc12	770346522	VSQMXSYICOJGSA-HSZRJFAPSA-N	409.555	3.581	10	20	HHCD	
COc1ccc(C(=O)N(C)C)cc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	770529032	DYSMAZSVQDRBSJ-UHFFFAOYSA-N	412.490	3.908	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@@H]1CCN(C)C1=O	772230305	INUGZMPNSGZKCP-FUHWJXTLSA-N	419.447	3.776	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccc(N(C)C)cc1	773090298	XADMKPQHNBMDBA-OAHLLOKOSA-N	403.548	3.777	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1OCC(F)F	773844331	DSEDFSKKQPUJKL-AWEZNQCLSA-N	405.445	3.521	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3c(F)cc(Cl)cc3F)cc2)C1	775385377	KIQZGXIVOYHOHL-CYBMUJFWSA-N	422.863	3.642	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	775774362	PKQCBOQOSFWECO-GOTSBHOMSA-N	409.530	3.619	10	20	HHCD	
C[C@H](NCC(=O)NCCOc1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1	775831844	VHGHWCKNCAWTDF-HNNXBMFYSA-N	409.452	3.617	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](C1CCCCC1)C(F)(F)F	775993884	DJOVEHZBIJBXKF-SFHVURJKSA-N	417.447	3.973	10	20	HHCD	
COCC[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(C)o1	779396086	HJENALREUWIRNO-MOPGFXCFSA-N	402.491	3.762	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](O)c1cccc(OCc2ccccc2)c1	779532812	SWCUEOQGTVNRSH-CEGXDQTDSA-N	405.450	3.540	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)c1cccc(OCc2ccccc2)c1	779532815	SWCUEOQGTVNRSH-XDQZKXAQSA-N	405.450	3.540	10	20	HHCD	
CC(C)[C@H](CC(F)(F)F)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	782652390	DKSKKPAOHVHDOC-SFHVURJKSA-N	418.415	3.967	10	20	HHCD	
CCCc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c12	783175826	CYQNAZORURCVQH-UHFFFAOYSA-N	422.393	3.886	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H](O)c1cc(F)cc(Cl)c1	786972074	FADZGCUEFKAYQJ-LJQANCHMSA-N	423.941	3.565	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3cccc(C(F)(F)F)c3O)C2=O)c1	788668075	WXEHAIPORCYFBJ-KPZWWZAWSA-N	424.419	3.884	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ncc(C(C)(C)C)s3)cc2)CC1	789485189	HDOZFJQKMFUKSA-UHFFFAOYSA-N	414.575	3.932	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc4c3OC(C)(C)C4)cc2)CC1	789563098	GOEANKZTMYAPOC-UHFFFAOYSA-N	421.541	3.891	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1	789835390	FZNPMCXKNQVNRY-JKSUJKDBSA-N	411.502	3.865	10	20	HHCD	
Cc1oc2c(CN3CCO[C@]4(CCO[C@@H]4C)C3)c(O)ccc2c(=O)c1-c1ccccc1	794668736	RBYIKYXJONDCSO-CRICUBBOSA-N	421.493	3.854	10	20	HHCD	
O=C(NC[C@H]1CCC(F)(F)C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	797466100	DKCOPVSMYSBVSQ-KBPBESRZSA-N	403.420	3.991	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1	807097543	YWRUCBUOSFWIBI-DLBZAZTESA-N	415.965	3.981	10	20	HHCD	
Cc1nc2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2s1	807511248	IWWLGXXYYIABMU-UHFFFAOYSA-N	410.282	3.872	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	807838119	IXUJDSZLMBGZMA-JTQLQIEISA-N	415.223	3.647	10	20	HHCD	
CSCC[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)C(=O)N(C)C	807905498	PROVOWNYFYWHOD-SFHVURJKSA-N	407.967	3.687	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1	808919801	JMFWVYKZXPODIV-UHFFFAOYSA-N	404.470	3.537	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@]3(CO)C[C@@H]3c3ccccc3)cc2)CC1	812034936	DIPNLXNYQSNOMT-NOZRDPDXSA-N	407.558	3.888	10	20	HHCD	
Cc1ccc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)cc1	812383526	OUOAUDNQPZRGLV-SFHVURJKSA-N	408.502	3.544	10	20	HHCD	
C[C@@H](SC1=NC(=O)/C(=C/c2csc3ccccc23)S1)C(=O)N1CCNC1=O	814772256	RMHGAQXSMRYWRB-DOQDJBIESA-N	417.537	3.545	10	20	HHCD	
C[C@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	821693347	IJZHVZNHGBBTMT-ZDUSSCGKSA-N	412.401	3.962	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@H](c3nncn3C)C2)c(C)n1-c1ccc(Cl)cc1	915266831	DNPWAEWURAXBOS-KRWDZBQOSA-N	411.937	3.825	10	20	HHCD	
COCCOC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C	915848392	NQJABESZVJDCJJ-UHFFFAOYSA-N	415.534	3.552	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1	917391366	SNIQTSVKHWFOPG-CQSZACIVSA-N	422.407	3.927	10	20	HHCD	
OCC1CCN(c2ccc(CNC(=S)Nc3ccc(OC(F)F)cc3)cc2)CC1	917576306	RPQZIAFWAOBYCF-UHFFFAOYSA-N	421.513	3.983	10	20	HHCD	
CC(C)Oc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1	917711273	FLSCZYGQAMYTLS-HOTGVXAUSA-N	401.482	3.552	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)s1	917846133	LEIQZOJXYIZYGX-UHFFFAOYSA-N	406.510	3.558	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1COCc1ccccc1	918444515	QNTNUPBAHDVLST-UHFFFAOYSA-N	404.466	3.706	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3cccc4c3COC4=O)sc2C)cc1	918739436	ALBNYPNCZCBRGZ-UHFFFAOYSA-N	416.480	3.598	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1	920216941	WIEKAGJMGKLKNS-QHCPKHFHSA-N	407.558	3.725	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC1CCN(S(=O)(=O)Cc2ccccc2)CC1	1116588403	FDNHPLRBOQWVBW-YLJYHZDGSA-N	414.571	3.833	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c(O)c1	1256371353	YXXVDRXZHHTYHM-UHFFFAOYSA-N	416.481	3.741	10	20	HHCD	
CC(=O)N(c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1)[C@H]1C[C@@H]1C	1324491231	KDSBBPTYKARELN-XDHUDOTRSA-N	410.537	3.951	10	20	HHCD	
CCN(C)Cc1cccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	64229301	OTVOICXUONGXDK-UHFFFAOYSA-N	410.562	3.569	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cccnc3OC3CCCC3)CC2)cc1	110462905	KOIWZKAWHZPNMV-UHFFFAOYSA-N	424.545	3.880	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1CC(F)(F)F	148598140	UBVOBPDQHGCVHF-OAHLLOKOSA-N	409.452	3.995	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1	195546739	DZEFRNMLVDAIOA-UHFFFAOYSA-N	422.529	3.675	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)n(C)c2ccccc12	472222625	RCCNMCSJGYKOSD-ROUUACIJSA-N	412.578	3.518	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1csc(Cc2ccc(F)cc2)n1	726939008	ZJMWQIKHOCDEQY-UHFFFAOYSA-N	411.502	3.640	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3F)n2)c[nH]1	727247928	VEFXLOSCKWILPP-UHFFFAOYSA-N	415.855	3.518	10	20	HHCD	
O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1CCc1cccnc1	727863592	GHRKWGRMTUAJTE-OQLLNIDSSA-N	421.341	3.994	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@@H](c2cccc(F)c2)C1	729495913	AYUXFZQFHKLJKV-GOSISDBHSA-N	401.457	3.501	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(F)c(OC)c(F)c3)cc2F)CC1	730133302	OCQGGCACEXARKB-UHFFFAOYSA-N	422.451	3.576	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)/C=C/c3ccc4ccccc4n3)cc2F)CC1	730192874	NZBPBLCMOYJGDT-ZRDIBKRKSA-N	418.516	3.845	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1	730469974	VCDOKUAPWZMQMY-UHFFFAOYSA-N	423.826	3.936	10	20	HHCD	
CCNC(=O)COc1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731107461	BBFQGNUTSTUHDA-UHFFFAOYSA-N	424.545	3.760	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](c1ccccc1OC)c1nccn1C	731278450	ATLMOQRSOYAGJL-NRFANRHFSA-N	408.502	3.846	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2ccc(Cl)cc2)[nH]n1	735828547	YJQQTQHAEIWLDD-UHFFFAOYSA-N	424.932	3.869	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Oc2ccccn2)cc1	741099514	BYJWFYGSZAESSL-UHFFFAOYSA-N	414.465	3.505	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H]3CCCC[C@@H]3S(C)(=O)=O)c2C)cc1	742184503	VTTNNJHQEWOENP-SFTDATJTSA-N	418.559	3.531	10	20	HHCD	
CN(c1ccc(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)cc1)C1CCCCC1	742564671	PZRILIIALBRIIS-UHFFFAOYSA-N	418.519	3.623	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)s1	742573191	JMHLFWLJRYKTGD-ZDUSSCGKSA-N	409.349	3.767	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](C(=O)N(C)Cc2ccccc2O)C1	742807632	NOZCXBSMHIZCPR-ROUUACIJSA-N	410.514	3.521	10	20	HHCD	
CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751921172	XYRQYIQEVQZRGB-CQSZACIVSA-N	423.494	3.703	10	20	HHCD	
CC[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)Oc1cccc(F)c1	753343547	NRKUKXBYGOVAMO-UWJYYQICSA-N	415.509	3.880	10	20	HHCD	
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c12	753640430	OITASHPCLISZPW-LBPRGKRZSA-N	422.510	3.777	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CO[C@@H]2CCOC2)c(C)n1-c1ccccc1Br	753785825	MHONZPZBORLTMX-XJKSGUPXSA-N	421.335	3.780	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc([S@@](C)=O)cc1	756057061	NRVLMCDLNFGZLM-DEXQXJORSA-N	417.600	3.538	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)cc1F	756098225	PWYSRTWDRKAFES-UHFFFAOYSA-N	404.511	3.651	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3cc(F)cc(F)c3O)CC2)cc1	756498554	XJQHKMRXJUKRTD-CQSZACIVSA-N	424.513	3.784	10	20	HHCD	
CC(C)COC(=O)N1CCC(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	756898666	UROXWIDWCJVOGX-HXUWFJFHSA-N	423.985	3.857	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnc([C@@H]4CCCO4)s3)cc2F)C[C@@H](C)O1	760375924	CUSBYOOYQONWAS-IYOUNJFTSA-N	419.522	3.677	10	20	HHCD	
C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)CN(Cc2ccc(Cl)cc2)C1=O	761161435	JMCATOJEXPSRSM-INIZCTEOSA-N	413.905	3.702	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(OCC(F)F)nc2)cc1	761576429	ZIYASORSTRLPFO-IBGZPJMESA-N	419.472	3.613	10	20	HHCD	
CC(C)(C)OC(=O)NC1(CC(=O)NCc2cccc(Br)c2O)CCC1	765764060	GVYPQYMAWNEORN-UHFFFAOYSA-N	413.312	3.608	10	20	HHCD	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccc4C)cs3)ccc21	767677101	XLXURSUDJQSXDY-UHFFFAOYSA-N	415.496	3.847	10	20	HHCD	
CC(C)N(Cc1ccccn1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	768932001	YMBGWQZXLTWHSD-ROUUACIJSA-N	414.525	3.955	10	20	HHCD	
CCCCCCNC(=O)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769202429	RTRYKTFXXYPTLV-HXUWFJFHSA-N	405.558	3.571	10	20	HHCD	
O=C(NC[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1)c1ccccc1	769242860	LTMWBFWJEJSVDV-CQSZACIVSA-N	403.866	3.596	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC([C@H](O)C(F)(F)F)CC2)ccc1N1CCCCC1	769516046	YAIALELTGWLYTR-SFHVURJKSA-N	401.429	3.720	10	20	HHCD	
COc1ccc(N2CCN(Cc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)cc1F	770306267	MRKOKDRSBSERHR-UHFFFAOYSA-N	416.497	3.899	10	20	HHCD	
Cc1nc(NC2CC2)sc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	770990588	IBJXGINCZGEBHK-BETUJISGSA-N	418.538	3.709	10	20	HHCD	
CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NCc1c(O)ccc2c1CCCC2	772459570	IMVMMTABDLREBD-MRXNPFEDSA-N	420.575	3.630	10	20	HHCD	
C[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N(C)C)cc1	772953736	LSYVZSRVGVYPPR-SFHVURJKSA-N	401.576	3.504	10	20	HHCD	
C[C@@H]1CN(C(=O)Cn2cc(NCc3cc(-c4ccccc4)ccc3O)cn2)C[C@@H](C)O1	773404021	AHZVWMHUCGKBNW-QZTJIDSGSA-N	420.513	3.504	10	20	HHCD	
CC[C@@H](NC[C@@H](O)c1cc(OC)ccc1OC)c1cc(Br)ccc1O	775486903	JFAWWTDQWUSXRU-SJLPKXTDSA-N	410.308	3.946	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCCOc2cc(F)ccc21	776943169	ZJBSOEIDFUEJAH-NRFANRHFSA-N	413.493	3.718	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1coc(-c2ccc(Br)cc2F)n1	778913358	HVTIVVUGAJBXDX-UHFFFAOYSA-N	421.222	3.627	10	20	HHCD	
C[C@H](N[C@H]1CCn2ccnc2C1)c1cc(Br)cc(Br)c1O	779064914	JNXDHIGWUONXBZ-ONGXEEELSA-N	415.129	3.779	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3c([N+](=O)[O-])ccc4c3CCN4)cc2F)C[C@H](C)O1	779707340	DUARHWNSXJIJAQ-KBPBESRZSA-N	400.454	3.928	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCc2nc(-c3ccc(F)cc3)no2)c1	784454504	OXTYYIKCKLUUQN-CYBMUJFWSA-N	414.437	3.583	10	20	HHCD	
CCOc1ccccc1[C@](N)(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F	788003259	ILQVWGAOPFJMHJ-VLIAUNLRSA-N	409.452	3.745	10	20	HHCD	
Cc1cc(-n2cccn2)ccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	789335427	FOIDKCZGNAGRMT-SFHVURJKSA-N	405.502	3.900	10	20	HHCD	
COc1cccc(C(=O)CCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	794246045	BLRUQEKJXDLZSA-SFHVURJKSA-N	410.514	3.762	10	20	HHCD	
COc1ccc(CNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c(O)c1	794389416	NCQROMQZEMLTRJ-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
Fc1cc(CN(CCc2ccccn2)Cc2cccnc2)ccc1N1CCOCC1	797605900	XYBKZGXVVLMYJE-UHFFFAOYSA-N	406.505	3.697	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)c(O)c1	797612811	OAGMJXDMSPBZCA-UHFFFAOYSA-N	409.442	3.705	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)c(OCC(C)C)c2)SC1=S	799200728	IBBIGIKLNODDAC-BOPFTXTBSA-N	423.556	3.884	10	20	HHCD	
CCOc1ccccc1CN1CCN(Cc2cc(OC)c(OC)cc2O)[C@@H](C)C1	799737249	AEGVGXFMDFKONO-KRWDZBQOSA-N	400.519	3.514	10	20	HHCD	
COC(=O)c1c(F)cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1F	801837877	LBFZDNFOVXOJFC-UHFFFAOYSA-N	419.428	3.551	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1	802781942	JHOWYUJGSQWTEM-BEFAXECRSA-N	404.457	3.735	10	20	HHCD	
Cc1ccc(C(C)(C)CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	804688522	LNBYYWNRGFEKSD-UHFFFAOYSA-N	407.558	3.646	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCN(Cc4ccccc4)[C@@H]3C)CC2)cc1	806683189	BGDKZQUMLBFJKF-DVECYGJZSA-N	422.573	3.626	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1nc(Cc2ccccc2)cs1	806839818	KYHSUEHAUFFMFF-UHFFFAOYSA-N	420.538	3.589	10	20	HHCD	
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806878387	QTTZTEPSLOVOPS-MBOZVWFJSA-N	422.520	3.525	10	20	HHCD	
COCc1csc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)n1	807002625	NTJHXUVNOBSCRC-AWEZNQCLSA-N	410.499	3.605	10	20	HHCD	
COc1cc(O)c(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1OC	808232630	TWSGETFMQHDPAK-IBGZPJMESA-N	413.392	3.882	10	20	HHCD	
COc1ccc(Br)c(-c2nnc(N(C)Cc3ccccc3O)n2C)c1	809821143	IKNOMQOQWZTTEN-UHFFFAOYSA-N	403.280	3.595	10	20	HHCD	
C[C@H]1CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1(F)F	812024340	MNBCNGVLRDTSPG-ZDUSSCGKSA-N	403.420	3.944	10	20	HHCD	
CCc1nc2ccc(Cl)cn2c1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	812531035	PRKJIALFJXDMPV-UHFFFAOYSA-N	416.884	3.660	10	20	HHCD	
NC(=O)NC(=O)CCCSC1=NC(=O)/C(=C\c2csc3ccccc23)S1	814772117	NVAFJZBDCVMDMQ-MDWZMJQESA-N	405.526	3.580	10	20	HHCD	
C[C@H](N[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccc(N2CCOCC2)cc1	815082165	CCPKNCGSKIAVQD-IUKKYPGJSA-N	411.521	3.675	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C(F)(F)F)c1O	815563503	FHFPQQKNAGHIQI-LBPRGKRZSA-N	402.438	3.512	10	20	HHCD	
CCN(CC)c1ccc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1F	816665559	MAFLTALRYMFLBL-UHFFFAOYSA-N	414.481	3.538	10	20	HHCD	
Cc1nccnc1CCNC(=O)c1cc(C)n(-c2ccccc2Br)c1C	818540111	FKQUWFNTNFSIPN-UHFFFAOYSA-N	413.319	3.928	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)/C=C\c3ccc(Cl)s3)CC2)cc1	843444438	SOPMNJCWLDUJJE-NTMALXAHSA-N	419.978	3.752	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)s1	917872282	HVLXSFFRPXEPIC-UHFFFAOYSA-N	420.537	3.948	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2c(C)nc(-c3cccnc3)nc2O)cc1	917954636	ROZISVDVRZGLIX-UHFFFAOYSA-N	419.529	3.600	10	20	HHCD	
CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919968853	OCJOBDNQIVTBPR-UHFFFAOYSA-N	410.558	3.888	10	20	HHCD	
CCOc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	920342958	LALTYZQBKMCRAD-IRXDYDNUSA-N	415.509	3.837	10	20	HHCD	
C[C@@H](NC(=O)Cc1ccc(F)c(Br)c1)c1ccc(N2CCOCC2)cc1	920881566	FPQYILFZWATWHY-CQSZACIVSA-N	421.310	3.845	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1	1320527955	AWWSIMZDTRXEDD-SOFGYWHQSA-N	416.518	3.751	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1	21277913	DZYLKCYBIDEUII-UHFFFAOYSA-N	423.296	3.508	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3c3cccn3C)cc2F)C[C@@H](C)O1	108466012	VVDNQYNLNWHLJR-HYFFOGBASA-N	414.525	3.825	10	20	HHCD	
CS(=O)(=O)Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)oc2ccccc12	110339526	JNSBQLNMDRCYRB-UHFFFAOYSA-N	412.511	3.508	10	20	HHCD	
O=C(CSc1ccccc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1	302936977	ANYRLCXFAAJFBE-UHFFFAOYSA-N	404.963	3.957	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ccccc4O)CC3)ccc21	489833953	GPJZZZHTNYQEHX-UHFFFAOYSA-N	407.514	3.573	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3nnc(C4CC4)n3C3CC3)ccc21	542772060	MTSWKOCIUXSJGL-UHFFFAOYSA-N	407.518	3.638	10	20	HHCD	
CC(=O)c1ccc(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726567114	FYMYOEHRYLTIAK-UHFFFAOYSA-N	402.441	3.818	10	20	HHCD	
COCCOc1cccc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)c1	726986926	ZVHCYGORAMALNS-WJDWOHSUSA-N	402.497	3.521	10	20	HHCD	
CCC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccn1	729230591	LSBIEOSKDXQKOM-FQEVSTJZSA-N	400.498	3.522	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cc(C(F)(F)F)ccc2F)SC1=S	733369852	OWMJLFITRCKLJH-XYOKQWHBSA-N	407.410	3.999	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)N1CCc2ccccc2C1	735651614	PEXIUTDQFNGIHW-UHFFFAOYSA-N	422.573	3.648	10	20	HHCD	
COc1cccc(C(=O)N2CCN(Cc3c(O)ccc4ccc(OC)cc34)CC2)c1	738019400	XUCCSUAJDUTRIL-UHFFFAOYSA-N	406.482	3.521	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	740919261	KMYHEHZUZBHTGH-LJQANCHMSA-N	406.313	3.902	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c[nH]1	743045723	VVSNBEQRQZQOBN-UHFFFAOYSA-N	419.440	3.579	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(OC)nc1OC	743130354	PTOKYNUERXXAMN-UHFFFAOYSA-N	410.268	3.621	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCN(C)Cc1ccccc1	745743528	DLGXHEULUAPDFX-UHFFFAOYSA-N	420.351	3.818	10	20	HHCD	
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745754591	PXQRHAGERDWGER-FGTMMUONSA-N	424.536	3.676	10	20	HHCD	
CCn1ncc2ccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc21	746772922	XZZQNQRDOGJNIH-UHFFFAOYSA-N	407.518	3.587	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3O)cc2)ccc1F	748349918	LIFWYCYHCAYQOR-UHFFFAOYSA-N	414.458	3.571	10	20	HHCD	
CN(C1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1)S(C)(=O)=O	750294978	SVDWVJGJZRYLDM-UHFFFAOYSA-N	415.519	3.990	10	20	HHCD	
Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc(N2CCSCC2)cc1	753619710	QFYLOUVUUTYYER-DEOSSOPVSA-N	411.615	3.711	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](c3ccc(F)cc3)c3ccccn3)cc2)C1	753627396	WYXDATPWDWHLMY-HYBUGGRVSA-N	418.516	3.802	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	754678059	ZXYRYCQXGYKORH-OIISXLGYSA-N	409.324	3.644	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cnn(-c4ccccc4F)c3)CC2)cc1	755838348	SDKYLTFIKVVEFG-UHFFFAOYSA-N	409.465	3.811	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)[C@H](c1ccc(C)cc1)n1cncn1	756702380	NZXQJLAKWMQAMA-GOTSBHOMSA-N	420.561	3.828	10	20	HHCD	
C[C@H]1C[C@@H](NCCNC(=O)c2cccc(Br)c2)c2c(O)ccc(F)c21	756706972	SMUOVJJUGFKYFL-XHDPSFHLSA-N	407.283	3.862	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cc(C)ccc2OC(F)F)SC1=S	756774005	DJDBOGGUAHXTBG-UKTHLTGXSA-N	401.456	3.751	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc(Cl)ccc3C)CC2)cc(OC)c1OC	759219322	AAPWXNCZBRLCOX-UHFFFAOYSA-N	404.894	3.637	10	20	HHCD	
O=C(NCCCSc1nccs1)NCC1(c2ccc(F)cc2)CCOCC1	759567810	AIAISHXXAHQFCC-UHFFFAOYSA-N	409.552	3.812	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1	759590896	MVDLUTPRANCKEL-AWEZNQCLSA-N	414.597	3.572	10	20	HHCD	
CC(C)Oc1ccc(N(C)CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1	759916525	WFYGYBCXPDQJMR-UHFFFAOYSA-N	412.458	3.545	10	20	HHCD	
COc1cc(Br)c(/C=C2\SC(N3CCCCC3)=NC2=O)c(OC)c1	760807554	QEJJRUKOEJHYLT-GDNBJRDFSA-N	411.321	3.923	10	20	HHCD	
Cc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c(C)n1-c1cccc(Cl)c1	761754154	MLKHTQPDNXONGN-FQEVSTJZSA-N	401.938	3.731	10	20	HHCD	
O=C1Nc2ccccc2C12CCC(NCc1ccc(N3CCC(CO)CC3)cc1)CC2	765296965	LOTQQHZPZIEMTD-UHFFFAOYSA-N	419.569	3.818	10	20	HHCD	
C[C@H](NCCC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)c(F)c1	766456451	HBUAIYWSRFWESA-INIZCTEOSA-N	417.491	3.977	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)CCc1cccs1	767510322	GGBWTBNWLGENTN-UHFFFAOYSA-N	404.351	3.611	10	20	HHCD	
COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1	767716977	VEFMCGLFGWFITK-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
Cc1cccc(Cl)c1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	767994627	VIPLEHKMDXSKGB-INIZCTEOSA-N	400.910	3.672	10	20	HHCD	
CCOc1cccc(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1O	768318262	IKRACVSFRRXCCQ-UHFFFAOYSA-N	400.494	3.767	10	20	HHCD	
CC1CCC(N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1	769629334	XLMQXDNFYJZYEJ-UHFFFAOYSA-N	408.545	3.905	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)c1	769972943	BBOHRLYBQZJMSB-QXFGJRORSA-N	414.527	3.862	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1[N+](=O)[O-]	770568037	IXWHAMFPHNTADT-OVCLIPMQSA-N	416.436	3.707	10	20	HHCD	
Cc1cc2c(N3CCC[C@@H]3C(=O)NCc3c(O)ccc4c3CCCC4)ncnc2s1	771025764	RJOZDUMYQPLHHX-LJQANCHMSA-N	422.554	3.869	10	20	HHCD	
O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc([C@H]2CCCOC2)no1	771604508	ZRRFBQSLEKSNFF-GVIGZQTCSA-N	421.569	3.859	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)ccc1Br	773395481	BRZFZVIKUBWRSN-UHFFFAOYSA-N	415.081	3.595	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(OCC(F)(F)F)c1	773847928	PWKVPTHJCOIWIM-CQSZACIVSA-N	423.435	3.818	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2nc(CN3CCCCC3)no2)c1C	774272078	HGOACNNJXCEVPL-UHFFFAOYSA-N	407.518	3.701	10	20	HHCD	
CC[C@@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(Cl)ccc1O	775504312	XJXSVUISQOUORW-CQSZACIVSA-N	414.877	3.648	10	20	HHCD	
COc1cc(N(C)Cc2cnc3ccc(Br)cn23)cc(OC)c1OC	780775984	YZGCHRWBALDTPC-UHFFFAOYSA-N	406.280	3.759	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(SC(F)F)cc3)c2)CC1	781046021	XFSXCCPHRSTJNP-UHFFFAOYSA-N	405.470	3.922	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnc(O)c4ccccc34)cc2F)C[C@H](C)O1	786795412	KXAZONOQDASBQY-GJZGRUSLSA-N	409.461	3.623	10	20	HHCD	
CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O	789984411	PUTATJZIRGYNQV-CJNGLKHVSA-N	411.340	3.588	10	20	HHCD	
C[C@H](NC[C@@](C)(Cc1ccccc1)[C@H](C)O)c1ccc(N2CCOCC2)c(F)c1	790725512	NVUBTUSALFIXNV-AXHZCLLHSA-N	400.538	3.943	10	20	HHCD	
CCc1c(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cnn1C(CC)CC	790758072	AUJADXFLNUDWNK-UHFFFAOYSA-N	402.514	3.917	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1ccnn1-c1ccc(F)cc1	792820865	XCXMVIWAYGWZCB-UHFFFAOYSA-N	403.841	3.546	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1	793011223	HDLHVDSSHCVIJP-UHFFFAOYSA-N	410.857	3.716	10	20	HHCD	
C[C@H](COc1ccccc1)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	793690438	QALDBSDYRKQSIJ-GOSISDBHSA-N	410.514	3.637	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	794853832	ORWJLOIYVAXQGB-NRFANRHFSA-N	401.501	3.868	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2F)C[C@H](C)O1	798212771	VXOUQTBLIVTVJF-HZVDNRATSA-N	400.469	3.998	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNc3nccc(N4CCOCC4)n3)cc2Cl)C1	799963773	OGNMBQXLTNEUFD-INIZCTEOSA-N	401.942	3.815	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCCOc3ccccc32)cc1	804065359	OJGYYYLBJLUVHG-NRFANRHFSA-N	409.530	3.521	10	20	HHCD	
COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135438	LTEHLRDXUFZEIJ-UHFFFAOYSA-N	424.689	3.618	10	20	HHCD	
C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccc(-n2ccnn2)c1	806132401	VVMAJIIKHROGLH-KURKYZTESA-N	409.509	3.871	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1scc(C)c1I	808097349	YWBDGXVVZZFEEH-UHFFFAOYSA-N	422.284	3.782	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(O)c(C(=O)O)c3)SC2=S)cc1	809152072	CAZARSZGSVOFNE-MHWRWJLKSA-N	400.481	3.562	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1n[nH]c2c1CCCCC2	819518791	FOTBJNOAZQAWHB-UHFFFAOYSA-N	412.534	3.681	10	20	HHCD	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c1	913072958	GGMFIWKTBRIJNY-UHFFFAOYSA-N	416.480	3.598	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N(C)[C@H]3CCc4ccccc43)CC2)cc1	916196423	FRKOHNNJCDTTKQ-DEOSSOPVSA-N	422.573	3.536	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl	916668887	IBPGCIHRKMNQMM-UHFFFAOYSA-N	422.844	3.670	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN(C3CCCCC3)C3CC3)cc2F)C[C@@H](C)O1	917055597	DOZJWTOKGCYMOH-HDICACEKSA-N	417.569	3.853	10	20	HHCD	
Cc1cccc(C)c1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	917712967	YOAOYONKOTYFEE-ROUUACIJSA-N	400.494	3.751	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(Br)c2)cc1	917928144	XEYWXYSAHRZLNF-UHFFFAOYSA-N	409.349	3.868	10	20	HHCD	
C[C@@H]1CCCN(Cc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)C1	918303792	GSKMDIABTHXALZ-LJQANCHMSA-N	422.573	3.582	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc1	918429248	HCFXFYOJLJUOGW-UHFFFAOYSA-N	417.513	3.553	10	20	HHCD	
CCN(CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccc(OC)c(OC)c1	921061842	OOSVQYDEYQCCQH-UHFFFAOYSA-N	412.408	3.745	10	20	HHCD	
O=C(COc1ccc(Br)cc1F)Nc1c(Cl)ccc2nonc12	1116850623	RQPOFKYHZYCCMN-UHFFFAOYSA-N	400.591	3.795	10	20	HHCD	
CS[C@H]1CC[C@@H](N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	1318806187	UBWIVWRCDUHQCL-OLZOCXBDSA-N	424.478	3.726	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)C(F)(F)Cl)C3)cc1	1845399398	WKGXPRGRTFOKFQ-UHFFFAOYSA-N	421.875	3.743	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1	8171277	BSLQVMZZQCUPTB-QHCPKHFHSA-N	401.510	3.930	10	20	HHCD	
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1	108005408	TZDVENKVQGBQII-KRWDZBQOSA-N	415.559	3.593	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCO[C@@H]3CCCC[C@H]3C)cc2F)C[C@@H](C)O1	108467670	DSCTZXQFPNUBBT-QSNWEANLSA-N	421.557	3.834	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1	116533919	UIAPFJSFJJTISJ-UHFFFAOYSA-N	416.543	3.666	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c2)oc1C	143102248	UNFQKKPCZNOMEF-UHFFFAOYSA-N	418.497	3.814	10	20	HHCD	
CS(=O)(=O)c1cccc([C@@H](NCc2ccccc2O)c2ccc(F)c(F)c2)c1	237470314	HFGODQOVGASQFA-OAQYLSRUSA-N	403.450	3.953	10	20	HHCD	
CC1CCN(c2ccc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)CC1	301204936	ORAAUYMQGAWAGX-UHFFFAOYSA-N	403.504	3.847	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(N2CCCCC2)ncn1	301264358	SYYOMIHPJSJSOW-UHFFFAOYSA-N	421.467	3.934	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)n([C@H]2C[C@H]3CC[C@H]2C3)n1	472791604	SPIHVIWFOOXQIQ-ZWOKBUDYSA-N	419.529	3.608	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc(Cl)ccc1N1CCOCC1	543914297	AIYCOUWQTUJXIT-UHFFFAOYSA-N	416.909	3.674	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1sccc1S(=O)(=O)NC1CCCCCC1	725886989	ZFCWKNFENBHJIB-UHFFFAOYSA-N	422.572	3.727	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccc(Br)c2)cs1)c1cncc(F)c1	727241728	BZSYECOLMXVEID-UHFFFAOYSA-N	414.281	3.908	10	20	HHCD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	728311037	XJMIQDPJUNJPNW-SFHLNBCPSA-N	400.567	3.546	10	20	HHCD	
C=CC(=O)NCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1	728838659	MCWWLAGAVXOREL-UHFFFAOYSA-N	419.447	3.760	10	20	HHCD	
COc1cccc2c1OC[C@@H](NC(=O)NCc1ccc(N3CCC(C)CC3)cc1)C2	731121185	QFGYSSFCNIOUPZ-FQEVSTJZSA-N	409.530	3.734	10	20	HHCD	
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1	731895648	UEOYMLINDPWZDM-UHFFFAOYSA-N	406.935	3.664	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O	732894416	WSKCZCWJKHEBDW-OAQYLSRUSA-N	424.520	3.763	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1	734017054	ZABVOBITZRMBEY-SFHVURJKSA-N	404.894	3.515	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1O	734843051	DNTNFMYHMPTBOV-XJKSGUPXSA-N	404.772	3.578	10	20	HHCD	
C[C@H](c1ccccc1)N1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1	734943609	XSIMUSAUMJSZJI-HXUWFJFHSA-N	422.573	3.548	10	20	HHCD	
Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	735173734	BPKLOMVTVFJRIN-UHFFFAOYSA-N	415.559	3.802	10	20	HHCD	
CN(C)c1ccc(N2CCC(NC(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1	743552714	RTJKPRRKFQAKOA-UHFFFAOYSA-N	421.589	3.821	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCNC(=O)N(Cc1ccccc1O)C1CCCCC1	745736039	MDOHOVDLCKRXJM-UHFFFAOYSA-N	421.497	3.533	10	20	HHCD	
CC(=O)N1CC[C@](C)(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1	747091641	LULZMDGRTICICO-DEOSSOPVSA-N	410.514	3.695	10	20	HHCD	
CN(C(=O)/C=C/c1cccnc1)c1ccc(NC(=O)/C=C/c2cccnc2)cc1F	747877735	WCDZRHPBNOTJBX-JMQWPVDRSA-N	402.429	3.944	10	20	HHCD	
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCc1ccc2c(c1)CCCN2C	748445495	ZNRFEAZWTMZBKA-UHFFFAOYSA-N	406.530	3.935	10	20	HHCD	
CCN1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C[C@@H]1C	748964074	OHVZQNIJFSPIBI-SCTDSRPQSA-N	424.536	3.771	10	20	HHCD	
Cc1ccc([C@@H](C)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c(O)c1	756774111	FRTXAVMDSHYIOE-CYBMUJFWSA-N	403.422	3.724	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CCC[C@@H]1CO)c1cc(Br)ccc1O	757637567	HWFWHZSPEYJPDB-HNAYVOBHSA-N	419.363	3.962	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1COc2c(Cl)cccc21)c1ccc(N2CCOCC2)cc1	757652032	JIMSNJHWYGNPEW-KUHUBIRLSA-N	401.894	3.671	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(Oc3cccc(Br)c3)CC1)OCO2	758973340	HWXLFFGOLZBTAN-UHFFFAOYSA-N	406.276	3.927	10	20	HHCD	
CCC(=O)N1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1	762565696	XDUXTNVXYOJUFL-OAHLLOKOSA-N	418.335	3.597	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)c1	762654031	AGRBOVZCWQZGDI-CABCVRRESA-N	402.491	3.657	10	20	HHCD	
CCOc1cccc([C@H]2C[C@H]2NC(=O)NCc2cccc(Br)c2O)c1	764807712	UWFXMNSGCFUPIE-NVXWUHKLSA-N	405.292	3.909	10	20	HHCD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Br)c1O	765731441	JBJRTFGSCMDNRT-ZDUSSCGKSA-N	407.264	3.948	10	20	HHCD	
Cc1nn(CC(=O)OC(C)C)c(C)c1CN(Cc1ccco1)Cc1ccccc1O	768130382	QNCAZTPSBYMDFA-UHFFFAOYSA-N	411.502	3.953	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2cccc(Cl)c2)cc1Cl	768867996	ZOUWWKCWMBWCNW-FPLPWBNLSA-N	421.327	3.778	10	20	HHCD	
CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)c(Cl)c1	769741231	KAQDIJRDBHNULP-UHFFFAOYSA-N	417.314	3.736	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNc2c(C)cccc2F)c1	769763736	OXSBGGABEZRQSK-UHFFFAOYSA-N	424.567	3.787	10	20	HHCD	
CC(C)OC(=O)NCc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1	770581596	ZFDMIPUKHHXBIA-UHFFFAOYSA-N	401.482	3.909	10	20	HHCD	
O=C(Cc1ccc(OC(F)F)cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771056675	GFYFXKWPCABTMS-QGZVFWFLSA-N	424.875	3.970	10	20	HHCD	
C[C@H](NCCCNC(=O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl	772979955	JHNDECCCHPNQSQ-INIZCTEOSA-N	419.928	3.786	10	20	HHCD	
Cc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1-c1c(Cl)cccc1Cl	773740936	VBGKHHOEBTXETQ-SNVBAGLBSA-N	421.284	3.655	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C[C@H]4CCOC4)C3)CC2)cc1	774194616	YKQCPGWHXBMEEZ-RBUKOAKNSA-N	401.551	3.512	10	20	HHCD	
C[C@@H](CCc1ccco1)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	775230202	ZKQANXHHANUGHG-SFHVURJKSA-N	411.546	3.802	10	20	HHCD	
CCN(CC)C(=O)COc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775476823	HYUBCISCDBGSJU-QGZVFWFLSA-N	412.534	3.883	10	20	HHCD	
Cc1cc(Br)cc(CN2CCn3c(Cc4ccccc4)nnc3C2)c1O	775712182	FCSBOWAOMUYKEC-UHFFFAOYSA-N	413.319	3.661	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3cccc(CSC)c3)CC2)cc1F	782639894	VUYXRAWXCPTERG-UHFFFAOYSA-N	403.523	3.729	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2nccnc2c1)c1ccc(N)cc1	783484183	AHXPBNFDZKBTDC-INIZCTEOSA-N	411.465	3.945	10	20	HHCD	
Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)n2)c1	787016769	GKXXKAUDUKYFMM-JKSUJKDBSA-N	410.497	3.563	10	20	HHCD	
O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)n1	787289789	XGHBYDDTEHAEPS-UHFFFAOYSA-N	408.458	3.913	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	797637695	HSXACGQOQYJWNI-SECBINFHSA-N	410.224	3.521	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1OC	799184693	VRFZCVOXIRNHFR-UHFFFAOYSA-N	418.515	3.663	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc3nccnc3c2Br)cc1F	806674048	UMYAJVDVMBONEG-UHFFFAOYSA-N	418.270	3.919	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1	813479639	BZQKSEKRGSVKIW-UHFFFAOYSA-N	405.491	3.667	10	20	HHCD	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NCc1cc(Cl)cc(Cl)c1O	813685300	VQFPZIGOSFAHLX-QGZVFWFLSA-N	404.290	3.998	10	20	HHCD	
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	914903330	JZEYLMMQIXTNMQ-QGZVFWFLSA-N	405.454	3.876	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1	916662958	UDSYIRYJYQLCPY-BOPFTXTBSA-N	415.492	3.653	10	20	HHCD	
CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	917834865	SBFSXTJRRZVQCN-AZUAARDMSA-N	423.557	3.597	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)c1	917917136	CUORNEDAZIBJEU-CALCHBBNSA-N	406.523	3.535	10	20	HHCD	
Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919968675	NTRFQOUBJVYRAV-UHFFFAOYSA-N	407.489	3.821	10	20	HHCD	
COc1ccc(N2CCN(Cc3cccc(C(=O)NCc4ccco4)c3)CC2)cc1	34684233	WKFGYNMODZPGKO-UHFFFAOYSA-N	405.498	3.540	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCNc3ccc4ccccc4n3)CC2)cc1	110427376	KCABIQRGSAWTQM-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
CCN(CC)C(=O)c1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)cc1	471621558	XNDDPLVYBAREJQ-UHFFFAOYSA-N	406.530	3.968	10	20	HHCD	
Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCOc2cc(N(C)C)ccc21	509081411	KFHIHPKLMADOSQ-UHFFFAOYSA-N	400.422	3.668	10	20	HHCD	
CCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1-c1ccccc1	726563291	FBRGTIZRLVHGPD-UHFFFAOYSA-N	404.514	3.842	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c4c(c3)OCCO4)SC2=S)cn1	726986450	QAYKYCCLRZFBFG-RIYZIHGNSA-N	420.899	3.921	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2ccccc2Cl)cc1	727357645	SRDXSKVKFCCTCQ-QXMHVHEDSA-N	400.909	3.514	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)ccc1OC(C)C	727613277	TZXRRZRSMJFBJI-UHFFFAOYSA-N	401.482	3.666	10	20	HHCD	
CCOc1cc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)ccc1OC(F)F	728945596	AYUSSPXZYLWXIU-LBPRGKRZSA-N	410.417	3.961	10	20	HHCD	
CCN(CC)C(=O)COc1cccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	729037953	UMJISEWNIQDBSS-OAHLLOKOSA-N	415.490	3.531	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc4cccc(OC)c4o3)cc2F)CC1	730192580	HKXYAZWXLANXDJ-UHFFFAOYSA-N	411.477	3.652	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	730385393	CYZBKCQOQDGYTE-UHFFFAOYSA-N	405.502	3.681	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCNC(=O)OC)sc(C)c1-c1ccc(C)cc1	730741483	YMQVAWQSTJROHE-UHFFFAOYSA-N	404.488	3.893	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c(F)cc1F	732525835	RCEBBLFEJPDLAR-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)c1	733359868	IDCGFQAFPFBTHB-UHFFFAOYSA-N	420.506	3.535	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2)CC1	739601790	AYEWGOIJCUYFQN-UHFFFAOYSA-N	424.501	3.920	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(-c2nnc3n2CCC3)c1	740681070	VAXZMYDEGPQXQU-UHFFFAOYSA-N	400.486	3.589	10	20	HHCD	
COCCOCc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1F	742057015	HGUYTNYZOAMEEA-UHFFFAOYSA-N	400.494	3.909	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccccc2SCC(N)=O)cc1)C1CCCCC1	742416646	JMELXDKCGREPGF-UHFFFAOYSA-N	411.571	3.963	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Oc1cccc(F)c1	745880065	XYEBHOXXDMVYSL-JXFKEZNVSA-N	402.466	3.689	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nnc(C)n4c3)c2C)cc1	749412581	ZHAWNPHSUSFOKV-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
COc1c(Cl)cc(NC(=O)C(=O)NCCCSc2nccs2)cc1Cl	749731320	NPOSCGYHAQZZNJ-UHFFFAOYSA-N	420.343	3.696	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1	753638002	ZVQUAGIPHBBCCW-MRXNPFEDSA-N	414.465	3.707	10	20	HHCD	
COCCOc1cc(C)ccc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	756102434	NEXOGTHIEFKPLB-UHFFFAOYSA-N	411.546	3.960	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(Br)c3F)c2)CC1	758057231	NYRZHZDBXMVMSA-UHFFFAOYSA-N	406.299	3.982	10	20	HHCD	
CC[C@H](CC1CCCC1)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	759242394	YXTDBQUZYQJCHN-GOSISDBHSA-N	404.551	3.968	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(OCC(F)F)n2)cc1	760310288	QWUSXSNPEZHDJT-SFHVURJKSA-N	419.472	3.613	10	20	HHCD	
COc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)c(Br)c1O	761213835	BOOQCWKVTXEMOK-UHFFFAOYSA-N	412.280	3.826	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)c1	761982340	KFMKOGXVHULLEV-GFCCVEGCSA-N	410.392	3.546	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)c(I)c2)c1	764322647	RYYICLSCKUNASQ-VIFPVBQESA-N	415.202	3.636	10	20	HHCD	
Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1F	764377004	KXHWPYIIVLYAJP-OKILXGFUSA-N	419.428	3.725	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC[C@H](C2CC2)C1	764561904	OVKDTWKGILINBT-LUYJPIOASA-N	406.598	3.988	10	20	HHCD	
COc1ccccc1[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nccn1C	764813077	BTVIIWQUQWOWSN-SBUREZEXSA-N	424.520	3.845	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCOCC(F)(F)C(F)F)c2C)cc1	765184453	HDNPDAQEBQFCEY-UHFFFAOYSA-N	402.388	3.750	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3cccc(F)c3F)cc2F)CC1	766559338	JYMMDUHIZDLSFV-OAHLLOKOSA-N	420.479	3.806	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cccc(OC(C)(C)C)n3)CC2)cc1	767260600	LIQHQRFNAIMPQN-UHFFFAOYSA-N	412.534	3.689	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CO)c2ccc(Br)cc2)c1O	767427420	ZWSQFNVXBYXOAF-CYBMUJFWSA-N	401.644	3.540	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(COc2c(Cl)cccc2Cl)on1	767784005	DKOUKENZXPODBN-UHFFFAOYSA-N	423.252	3.944	10	20	HHCD	
CCOc1cccc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1O	768251756	IYSPVFGVJVTFDX-UHFFFAOYSA-N	408.420	3.768	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(CNC(=O)C=C(C)C)cc3)c2)CC1	770148148	PUUBDHWJVHGAAP-UHFFFAOYSA-N	420.557	3.663	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccoc3Br)cc2F)C[C@@H](C)O1	770235077	CTCJGPRKZVVMQN-TXEJJXNPSA-N	411.271	3.725	10	20	HHCD	
COCCNC(=O)Cn1cc(NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cn1	773422646	XBJDGYMCGLEOGS-UHFFFAOYSA-N	416.566	3.558	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1O	774836495	NOYAUIJHEVPOHB-UHFFFAOYSA-N	405.882	3.670	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccc(F)c2)cs1)c1cnn(CC(F)(F)F)c1	775149931	MCMSEXDDIQOOAI-UHFFFAOYSA-N	406.386	3.509	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(C)n1-c1ccc(C(C)C)cc1	775210529	GMIFEUXGHIHHKO-RBBKRZOGSA-N	411.546	3.583	10	20	HHCD	
COC(=O)CCN1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@H](C)C1	775561971	ZFEJYZAEPSRYNK-GOSISDBHSA-N	423.517	3.610	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(OCC(F)F)ccn2)cc1	778251763	JTALVBNOGYWXGO-LJQANCHMSA-N	419.472	3.613	10	20	HHCD	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCc1ccc(O)c(O)c1	778923059	JTBAAAIDKQKSJZ-UHFFFAOYSA-N	400.818	3.835	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	779522077	QGESCACPVJXORH-LYLYKKCESA-N	406.404	3.521	10	20	HHCD	
CCN(CC)C(=O)CCC1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1	782728858	ZCLHWHXBPZZKFZ-UHFFFAOYSA-N	402.583	3.631	10	20	HHCD	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	783526252	HWEXTVIFKIDNLS-MRXNPFEDSA-N	422.447	3.968	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)nn1[C@H]1C[C@H]2CC[C@H]1C2	784026059	AGHHDAOEIKJTKW-LNLFQRSKSA-N	410.518	3.636	10	20	HHCD	
CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788908768	AKBFDCYNYNLJKQ-LJQANCHMSA-N	407.558	3.774	10	20	HHCD	
CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	789805389	BNCQMQMNDZQLJA-GOSISDBHSA-N	412.486	3.771	10	20	HHCD	
CCC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H](O)c1ccccc1	792035594	MAGGCCYWDMJHOE-FCHUYYIVSA-N	413.587	3.941	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)nn1	793039831	DCGRVRSQGSEOLJ-INIZCTEOSA-N	419.485	3.579	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc2c1CCO2	797671005	CPHFMHDOUBTBAL-UHFFFAOYSA-N	421.419	3.799	10	20	HHCD	
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)NCc1c(O)ccc2c1CCCC2	799239186	UIASTINENXPNAK-QFIPXVFZSA-N	423.513	3.511	10	20	HHCD	
Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N3CCCCC3)cc1)CC2	805057170	BJKYQHXYDFHWFS-QHCPKHFHSA-N	405.542	3.747	10	20	HHCD	
CC[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc(Cl)c1O	806159290	FSMODNFLDDRPQK-VQTJNVASSA-N	402.922	3.556	10	20	HHCD	
C[C@H](Oc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F	806846536	RZFKEMQAOXRGPJ-AWEZNQCLSA-N	423.435	3.679	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccc(F)cc1F	807096293	HVIUTXCSACIVLY-HXUWFJFHSA-N	403.473	3.613	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	807652219	OOQPNLGZZQVWPJ-CKEIUWERSA-N	423.351	3.588	10	20	HHCD	
CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1	808101715	LSICDKFQRNSKIV-UHFFFAOYSA-N	403.287	3.592	10	20	HHCD	
COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(OC)c1OCC(F)F	809146947	JMQONPLCTGARTR-GDNBJRDFSA-N	412.458	3.804	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(NC(=O)C(C)C)c1	815797254	IOJOOTGJSVQDBY-UHFFFAOYSA-N	420.307	3.807	10	20	HHCD	
C[C@H](OCc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857471987	DGNWWYOORSPNOS-MGPUTAFESA-N	420.912	3.871	10	20	HHCD	
Cc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1C(=O)O	871793001	WKXZCUKTFKFNHL-UHFFFAOYSA-N	402.516	3.504	10	20	HHCD	
O=C1c2ccccc2N[C@H](c2ccc(Br)cc2O)N1C[C@H]1CCCO1	877844968	AZYHHCXEKBTRDU-ACJLOTCBSA-N	403.276	3.900	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12	916223013	UYOCANXPELCHCX-UHFFFAOYSA-N	420.439	3.546	10	20	HHCD	
CSc1ncc(Cl)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	918140747	PLCMHCWIKBUAFL-RYUDHWBXSA-N	424.929	3.535	10	20	HHCD	
O=C(CSc1ccc(Cl)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	919968499	BALQAGIBFOXIME-UHFFFAOYSA-N	404.963	3.957	10	20	HHCD	
O=C(NCCc1c(F)cccc1Cl)NCc1ccc(N2CCC(CO)CC2)cc1	1116274958	YFFOAVHYOBQQQA-UHFFFAOYSA-N	419.928	3.730	10	20	HHCD	
Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(N3CCN(C)CC3)c(F)c2)o1	1319815379	HIQSNIHWEOZRSO-QHCPKHFHSA-N	421.520	3.569	10	20	HHCD	
O=C(Cc1cccs1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788426720	OPYSXTGISXQJLV-UHFFFAOYSA-N	423.494	3.545	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1	236729496	LWLPNJYZCYGCNE-UHFFFAOYSA-N	415.603	3.795	10	20	HHCD	
CCN(CC)C(=O)[C@@H](Cc1ccccc1)NCc1cc(Br)ccc1O	725841452	ITFOHWUIQXTZQY-GOSISDBHSA-N	405.336	3.724	10	20	HHCD	
CCOc1cc(F)ccc1NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	730132836	GTZLWASCGSLHIO-UHFFFAOYSA-N	418.488	3.827	10	20	HHCD	
COCc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1F	730824134	WGFCBICIKBYMEZ-UHFFFAOYSA-N	403.523	3.525	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCCc3nnc4n3CCCCC4)cc2)CC1	731049691	KOZXSPJXARRZDR-UHFFFAOYSA-N	424.593	3.673	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](OCC(F)(F)F)C2)cc1F	731364296	WPNZARCPLMSYJU-HNNXBMFYSA-N	405.436	3.925	10	20	HHCD	
Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1ccc(N3CCOCC3)c(F)c1)CCC2	732449077	LTCJEVJFGDJFBE-LJQANCHMSA-N	418.538	3.646	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC(=O)N1Cc2ccccc2C1	732474800	WQLDGUKSANCYSF-UHFFFAOYSA-N	408.546	3.607	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCC(=O)NCc1ccc(N(C)C)cc1C	734407101	ASSUNJINGBCGGA-UHFFFAOYSA-N	424.589	3.538	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)cc1F	742597238	RDZXWSROQAISOB-UHFFFAOYSA-N	404.392	3.813	10	20	HHCD	
CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cc(Br)ccc1O	744426240	PDOITOZQENAGNY-UHFFFAOYSA-N	422.279	3.832	10	20	HHCD	
CS(=O)(=O)CCc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	746747287	HIQIZGPEEGTWPC-UHFFFAOYSA-N	417.531	3.784	10	20	HHCD	
Cc1nccn1CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	748096964	HISZTJCZMJQOPR-UHFFFAOYSA-N	401.308	3.792	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)c3ccccc3F)CC2)c1O	750036500	QADTVLDHRAKTKU-UHFFFAOYSA-N	404.869	3.735	10	20	HHCD	
CC(C)(NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1	751082108	FYQHYRIKHKQQOB-UHFFFAOYSA-N	407.436	3.675	10	20	HHCD	
COc1cc(OC)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1OC	751301661	FZOWRYKPXLQMBN-UHFFFAOYSA-N	404.426	3.674	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(F)cccc1OC(F)F)c1ccc(N2CCOCC2)cc1	752006882	MQEXNCQCRLYAAC-CQSZACIVSA-N	423.435	3.824	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](O)c1c(F)cccc1F	752868777	WVHOJHGRJXEFFA-PZJWPPBQSA-N	403.473	3.876	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)nc1	753489242	IIBKAZPBJFVJDK-UHFFFAOYSA-N	406.438	3.608	10	20	HHCD	
C[C@H](Sc1ccccn1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	754226432	FMFZBOSXXMCYCQ-AWEZNQCLSA-N	407.486	3.949	10	20	HHCD	
O=C(CCSc1ccccn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755355382	ANZJGHFLBJESMI-OAHLLOKOSA-N	407.486	3.950	10	20	HHCD	
O=C1/C(=C\c2cn(-c3ccc(F)cc3Cl)nn2)SC(=S)N1c1cccnc1	755573297	TVKONPNIBOQFIJ-VIZOYTHASA-N	417.878	3.861	10	20	HHCD	
COc1cccc(-c2nc(C)c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)[nH]2)c1	756022133	XZOXJJIOVOZXLR-FQEVSTJZSA-N	421.497	3.921	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)c1ccccc1)c1cc(Br)cc(Cl)c1O	756460302	ZKVIYECYUPIBBR-LLVKDONJSA-N	418.740	3.933	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCc2nc(-c3ccc(Cl)cc3)no2)c1	756709555	VNTGSQOBRRWRDA-GFCCVEGCSA-N	401.850	3.776	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCCCC3CCCCC3)CC2)cc(OC)c1OC	759223681	UVFLJAHWRLEBJK-UHFFFAOYSA-N	419.566	3.905	10	20	HHCD	
COc1ccc(-c2nc(COC(=O)/C=C/c3ccc(O)c(O)c3)cs2)c(OC)c1	759593044	IJNLPEMAZVORNA-XBXARRHUSA-N	413.451	3.995	10	20	HHCD	
Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CO2	763668247	YKPUNHOETYEEFF-JXXFODFXSA-N	413.493	3.681	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCOCC(F)(F)C(F)F)cc2)CC1	764779523	JEAGFUBULKQJPD-UHFFFAOYSA-N	405.436	3.639	10	20	HHCD	
COc1cc(Br)cc(CNC(C)(C)C(=O)NCC2CCCCC2)c1O	769934654	SOSMVKQYHQFVIL-UHFFFAOYSA-N	413.356	3.728	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(-n4ccnc4SC)cc3)c2)CC1	770143032	IFMNLQXBVKXPFD-UHFFFAOYSA-N	421.570	3.988	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1	770587338	SFOBIQGIKFEGAR-UHFFFAOYSA-N	421.538	3.816	10	20	HHCD	
O=C(Cc1cc(Cl)ccc1Br)NCc1ccc(N2CCOCC2)cc1	771253382	UQSDTXLBIUUWJA-UHFFFAOYSA-N	423.738	3.798	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCc3nn(C)c4ccccc34)c2C)cc1	772349776	IJQJOTUKOBKLHC-UHFFFAOYSA-N	402.498	3.962	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1	775178267	UTBFUJSKKPNETR-UHFFFAOYSA-N	410.478	3.657	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccc(N(C)C)cc1	775464226	LKHQVASBSLUVFX-OAHLLOKOSA-N	418.563	3.712	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@H]([C@H]2CCOC2)C1	775726737	YMVYVVXIEUCHTO-QWRGUYRKSA-N	405.130	3.776	10	20	HHCD	
CN(C)c1ccc(NCc2cc(Br)cc(Br)c2O)nc1	776250055	DHWCJKOXRJIGGC-UHFFFAOYSA-N	401.102	3.990	10	20	HHCD	
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	777267141	RULICRVVXRDJAS-UYAOXDASSA-N	418.582	3.930	10	20	HHCD	
CC(C)(C)C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F	778733638	VWUMFCLXKWUHKI-QGZVFWFLSA-N	419.463	3.953	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1Br	786796656	KBPNEFWLTMVKSB-UHFFFAOYSA-N	412.196	3.616	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)CCC(=O)OC(C)C	792304340	ZICWGHOKBOJVMV-CYBMUJFWSA-N	415.328	3.807	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ncccc3Br)cc2F)C[C@@H](C)O1	793118797	RPQJUGLDFOTGBQ-CHWSQXEVSA-N	422.298	3.527	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(C)nc3ccc(Br)cc23)c(O)c1	794378577	YVLBDJJBNVNLFF-UHFFFAOYSA-N	401.260	3.950	10	20	HHCD	
C[C@@H](CCc1ccc(F)cc1F)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	796703868	YROWVGJLKMRXMN-QFBILLFUSA-N	401.501	3.777	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)c(O)c1	797389650	RUAGDZWENIDYQC-UHFFFAOYSA-N	414.527	3.832	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1	799860277	ZWYVCPQLHLTLOS-OAHLLOKOSA-N	402.926	3.979	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCC[C@@H](CN2CCOCC2)C1	799952926	RMFNFDIFUXOJCE-INIZCTEOSA-N	419.363	3.852	10	20	HHCD	
COc1cccc(C[C@H](O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1	800571190	GRKKXJVWHUEKQV-AOMKIAJQSA-N	416.949	3.805	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1	801549797	AQJPEZUVALTBCA-INIZCTEOSA-N	407.507	3.913	10	20	HHCD	
CCN(C(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCCC1	803448487	RZVPHFVUTYMADE-UHFFFAOYSA-N	423.504	3.554	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1	804542385	XXZSKURNPAOAJS-JTHBVZDNSA-N	407.558	3.629	10	20	HHCD	
CN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1C[C@@H]2CC[C@H](C1)N2C	806685686	WVVXNPNSXFVNGU-DFNIBXOVSA-N	422.520	3.523	10	20	HHCD	
CNC(=O)CC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	806766146	NMAISLGQNOLGCZ-OAQYLSRUSA-N	400.567	3.513	10	20	HHCD	
Cc1cc([C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C2CC2)ccc1F	808840525	LCGMKVPYHBFRAZ-QHCPKHFHSA-N	423.532	3.959	10	20	HHCD	
Cc1nc2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cn2n1	809895124	OLPMFYOSEMTMSH-UHFFFAOYSA-N	404.474	3.931	10	20	HHCD	
CNC(=O)c1cc(Oc2ccc(NCc3cc([N+](=O)[O-])ccc3O)cc2F)ccn1	810172080	FEFAHMBDDPFHBX-UHFFFAOYSA-N	412.377	3.599	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C4CCCC4)cc3)cc2)CC1	810696750	YOWGIQZPTPNZIL-UHFFFAOYSA-N	405.542	3.943	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)cc1F	857464527	GJLXRDSVTWTMGM-UHFFFAOYSA-N	413.276	3.869	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc(OCC(=O)N2CCCC2)c1	915343457	LVWMKWUGKUTNGB-UHFFFAOYSA-N	422.529	3.610	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N(C)[C@H]3CCCc4ccccc43)CC2)cc1	917090010	SZJDPUBNRVIIMD-DEOSSOPVSA-N	407.558	3.743	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccn(-c4ccccc4)n3)cc2F)C[C@H](C)O1	917712283	IITTZVKTMCNTTA-IRXDYDNUSA-N	408.477	3.555	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1ccc(F)c(F)c1)c2[N+](=O)[O-]	920216419	BYTUNQOXGNSOEX-UHFFFAOYSA-N	422.343	3.578	10	20	HHCD	
CCN(CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)c1ccc(OC)c(OC)c1	921061429	GCGRWABSVPGZGC-UHFFFAOYSA-N	412.465	3.802	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2c(OC(F)(F)F)cccc2[nH]1	1319764769	GEYRCOSLZOEYDV-UHFFFAOYSA-N	419.403	3.833	10	20	HHCD	
CCOc1ccc(N2CCN(C[C@@H](O)c3cccc(Br)c3)CC2)cc1	1324605251	SQWNWSCKFOGIFJ-HXUWFJFHSA-N	405.336	3.703	10	20	HHCD	
CCS(=O)(=O)N(C)c1ccc(NC(=O)C2=S=CC=C2c2ccc(C)cc2)cc1	1532524246	VHPCGRHYDONHPH-UHFFFAOYSA-N	414.552	3.524	10	20	HHCD	
COc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2CC(C)C)cc1	8232037	RAKXAECAQGSJMU-UHFFFAOYSA-N	413.499	3.996	10	20	HHCD	
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1	56259980	ZYTLHGOQQZOWNU-HXUWFJFHSA-N	408.546	3.964	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(NC(=O)c2cccs2)cc1	108806668	AKSOFCBQXGJUMA-UHFFFAOYSA-N	421.522	3.767	10	20	HHCD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	109299895	GEZCQVFZXHBCSU-UHFFFAOYSA-N	408.502	3.534	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cc1Br	302935917	JDKVERNOBQEBID-UHFFFAOYSA-N	421.310	3.727	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1nnc(Cc2cccc(F)c2)s1	543880438	PBLAJGBMYCTPGF-UHFFFAOYSA-N	413.478	3.765	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)cc1C(F)(F)F	608259110	LCRBKXXWRXYHLD-UHFFFAOYSA-N	400.422	3.668	10	20	HHCD	
O=S(=O)(Nc1cccc(CSC2CCOCC2)c1)c1cccc2nsnc12	609705945	XSBGTQDQQTVHRX-UHFFFAOYSA-N	421.569	3.904	10	20	HHCD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNCc3cc(Cl)ccc3O)cc2)C1	725845915	PHKHVMHAZRWNIZ-OAHLLOKOSA-N	408.951	3.756	10	20	HHCD	
CN1CCCc2cc(CNC(=O)COc3ccccc3OCC(F)(F)F)ccc21	727665506	MATMQGPETUTPAO-UHFFFAOYSA-N	408.420	3.705	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3ccc([C@@H]4C[C@@H]4C)o3)cc2F)CC1	730118753	BXHIXKGOCJFFNH-QFBILLFUSA-N	414.525	3.683	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCCOc3cccc(F)c3)cc2F)CC1	730192715	MBYYWBQRKUKOLG-UHFFFAOYSA-N	417.500	3.582	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCCNC(=O)c3cccs3)cc2)CC1	731049685	KERYPEIQGOUEMY-UHFFFAOYSA-N	414.575	3.604	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3cnco3)c2)cc1F	731409546	WCDTVYBAKBUNQB-UHFFFAOYSA-N	410.449	3.582	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1	732562649	GIDKFZLLIPQMBW-LJQANCHMSA-N	416.525	3.510	10	20	HHCD	
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(N(C)C)cc3C)C2)c1	734405617	UZPXVVZMMKHVLZ-OAQYLSRUSA-N	407.558	3.846	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)NCc2ccc(N(C)C)cc2C)N2CCCC2)cc1	734652589	NRSMATNEXOQBMB-HSZRJFAPSA-N	410.562	3.706	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2	734739456	CXBRQGXDQQXKNI-UHFFFAOYSA-N	404.517	3.898	10	20	HHCD	
Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	735389865	RXFVGHRLBWMZHY-UHFFFAOYSA-N	417.509	3.895	10	20	HHCD	
CC(=O)N(Cc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1)C1CC1	737011558	VHZJPNMHHIXRHB-UHFFFAOYSA-N	406.530	3.902	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1	737209054	OAEWBHWWWOYMHC-UHFFFAOYSA-N	404.470	3.503	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2	741092142	XHSPVHVFGLOLKY-NRFANRHFSA-N	405.498	3.881	10	20	HHCD	
O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)OCCCF	741446177	VQYWLMNEZMYDLW-WQLSENKSSA-N	418.309	3.553	10	20	HHCD	
COC(=O)c1cc(Cl)cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	742278153	FGCAAQPGOYJBSL-UHFFFAOYSA-N	422.934	3.546	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)CCO1	743176352	KLIVVDKPZFNXMG-RBUKOAKNSA-N	424.545	3.631	10	20	HHCD	
C[C@H](NC(=O)CN[C@H](c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1	746168781	QIWHMDKGHGGBCS-HRAATJIYSA-N	421.463	3.594	10	20	HHCD	
CC(=O)c1cccc(OCCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	746821749	AILDANRTZUJAEJ-UHFFFAOYSA-N	410.514	3.543	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H]1SCCc2ccccc21)c1ccc(N2CCOCC2)cc1	749563659	ZSBGOXXKCCTCPL-JTSKRJEESA-N	411.571	3.914	10	20	HHCD	
COCCCOc1cccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	751011994	UEPAUXBSKKGPNP-UHFFFAOYSA-N	413.518	3.602	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CCCCS2(=O)=O)c(C)n1-c1cccc(C(C)C)c1	752837997	CCUUVVOYQZJNES-FQEVSTJZSA-N	402.560	3.915	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](c3nc(C)cs3)C3CC3)CC2)cc1F	753941276	RPSCLPGMFXVMIE-GOSISDBHSA-N	404.511	3.582	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2c(C)c3cc(Br)ccc3oc2=O)c1	755803744	LPPZWHOJQWRZCB-UHFFFAOYSA-N	418.243	3.508	10	20	HHCD	
CCC(=O)N1CC[C@@H](N[C@H](C)c2cc(Br)cc(Br)c2O)C1	756654288	KAMZXNZIUPSTLU-MWLCHTKSSA-N	420.145	3.579	10	20	HHCD	
COCCNC(=O)[C@H](Cc1ccccc1)N[C@H](C)c1ccc(Cl)c(Cl)c1O	756854909	BNBZOQKTBVBXBI-DYVFJYSZSA-N	411.329	3.724	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1c(C)noc1C	757010093	HYGOYAUPSDYWQJ-LPMFXHHGSA-N	418.513	3.995	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](CO)c1ccc(C(F)(F)F)cc1	759460625	QDGYSUULGFQWCX-LJQANCHMSA-N	405.420	3.614	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3ncc(F)cn3)CC2)c(C)n1-c1cccc(Cl)c1	760129412	YLNWXDDSXMEFQH-UHFFFAOYSA-N	413.884	3.639	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H](c1ccccc1)N1CCCC1	760943170	LLKSQJGYSXPARS-IBGZPJMESA-N	413.905	3.647	10	20	HHCD	
Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cn1	765250241	IARWITFTTHKTSA-MRXNPFEDSA-N	411.937	3.917	10	20	HHCD	
CN(C)CCCOc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1	765281283	LQJGDBBXNKLXSA-UHFFFAOYSA-N	422.323	3.807	10	20	HHCD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Br)c1O	765751246	CBHTVSYTRKJNNA-SNVBAGLBSA-N	411.277	3.860	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc([S@](C)=O)cc3)cc2F)CC1	765851992	ILYRCLLBPRCOGQ-UULLZXFKSA-N	403.567	3.556	10	20	HHCD	
C[C@@H](N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)cc1Cl	766031015	ICMXVSLJPGANAF-AEFFLSMTSA-N	413.949	3.912	10	20	HHCD	
O=C(CSc1cccc(Br)c1)NCc1ccc(N2CCOCC2)cc1	766556246	PUSCLYVUOVLFGI-UHFFFAOYSA-N	421.360	3.694	10	20	HHCD	
Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(O[C@@H]2CCOC2)c1	766582104	OSDKWPYSHYFWNC-WIYYLYMNSA-N	414.521	3.989	10	20	HHCD	
CSc1ccc(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	768513171	XSGVZZZXQGELTL-HZPDHXFCSA-N	418.534	3.856	10	20	HHCD	
CCOc1cc([N+](=O)[O-])c(C(=O)NCc2c(O)ccc3c2CCCC3)cc1OC	769563862	MWXJFWXCUBKUHL-UHFFFAOYSA-N	400.431	3.517	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)c1	769928257	KWQAVMXJPBUOTB-OAQYLSRUSA-N	422.506	3.704	10	20	HHCD	
Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	771054748	WDNRAYUHBCWCON-APWZRJJASA-N	404.942	3.591	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C(=O)OC(C)(C)C	772374631	BCWUNECMJCRQJH-PKOBYXMFSA-N	414.550	3.650	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(N(C)C)cc1	773609493	ABDJFAKJICKNSY-HXOBKFHXSA-N	416.566	3.856	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)nn1[C@H]1C[C@H]2CC[C@H]1C2	775137089	HNTHDESFTDQKSF-ZJOUEHCJSA-N	423.561	3.606	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2cc(OC)ccc2O)c1	775371033	LKJBXNPTBTXSRB-HZPDHXFCSA-N	413.518	3.561	10	20	HHCD	
O=C(Nc1ccc(Br)cn1)C1CCN(Cc2cc(F)ccc2O)CC1	779000474	XWQFOGUPUPJZDS-UHFFFAOYSA-N	408.271	3.540	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H](COc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	779984438	HRAQLPRUDCGEJK-VQTJNVASSA-N	409.530	3.695	10	20	HHCD	
COc1ccc(C(=O)N(C)C)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	782722327	QUSJLBUATXJZBA-UHFFFAOYSA-N	412.534	3.906	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1	782780534	GHJVYRCKNNITGY-UHFFFAOYSA-N	417.513	3.664	10	20	HHCD	
COc1cc(C(=O)N(C)C)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	782786590	GKYNGAYHHXQODZ-UHFFFAOYSA-N	412.534	3.906	10	20	HHCD	
CCCC(=O)Nc1cccc(NC(=O)C(=O)N(CCC)Cc2ccccc2O)c1C	784025885	NEMYMWAZTYXPHS-UHFFFAOYSA-N	411.502	3.817	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccc(S(C)(=O)=O)cc1	784672364	QWKWEVZUGIDIHB-ZDUSSCGKSA-N	416.524	3.638	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCc2ccccc2Sc2ccccc2)cc1	785443088	LZXKSALNBBSYBK-UHFFFAOYSA-N	419.550	3.836	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccc4cc[nH]c34)cc2F)C[C@@H](C)O1	786110550	ANADDDVXJZFLMR-HZPDHXFCSA-N	410.493	3.920	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccccc2C(F)(F)F)C2CC2)cc1	786684718	YGSVCLLFSBMIBM-UHFFFAOYSA-N	419.447	3.579	10	20	HHCD	
O=C(Cc1cccc(N2CCCC2=O)c1)N(Cc1ccco1)Cc1ccccc1O	787428485	XEOBEXXRSJPRRI-UHFFFAOYSA-N	404.466	3.884	10	20	HHCD	
COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl	788598650	GQCNWJVVVOFHSP-HNNXBMFYSA-N	424.950	3.533	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cc([C@H]4CCCOC4)nn3C)c2C)cc1	791170136	HLZIBCHHONVDGM-KRWDZBQOSA-N	408.502	3.983	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC[C@@H](c2cccc(F)c2)C1	792836243	VOHKTTGWTQOYCP-QUCCMNQESA-N	415.484	3.937	10	20	HHCD	
C[C@H](NC(=O)N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(N(C)C)cc1	793061187	GYDZYVWBJVHDFE-SUMWQHHRSA-N	411.424	3.745	10	20	HHCD	
COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCCCC3)cc2)cc1	798935986	YTRSMAGZIGNFNJ-QHCPKHFHSA-N	421.541	3.607	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cc(C3CC3)no2)NC(=O)OC(C)(C)C)cc1	799644824	UAKUWPOCKTYGQB-SFHVURJKSA-N	414.506	3.614	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCc4n[nH]cc4C3)cc2Cl)C1	799953991	GJZRZZPIGZLEJJ-RHSMWYFYSA-N	401.942	3.656	10	20	HHCD	
C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)CNC(=O)OC(C)(C)C	805224957	GBEJMZJZKHYUHP-JTQLQIEISA-N	406.310	3.659	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1nc(Cc2ccccc2)cs1)c1ccc(N(C)C)cc1	806985525	FYCPPALVBKKODU-OAHLLOKOSA-N	408.527	3.616	10	20	HHCD	
Cc1cc(C(=O)N(CCn2ccnc2)C2CCSCC2)c(C)n1-c1ccccn1	808086814	IECIQEGIORIKGI-UHFFFAOYSA-N	409.559	3.724	10	20	HHCD	
CC(=O)C(=O)COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	808491083	KRNNHSYNCJQDNW-UHFFFAOYSA-N	416.436	3.671	10	20	HHCD	
CN(c1ccccc1)c1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)ncn1	814360820	IWFUKYVXGLXUOZ-UHFFFAOYSA-N	407.493	3.957	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1	818783708	LTJMPCGKKAHYGU-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)ccc3Cl)CC2)cc1F	857464495	FARSPWAHVGXMNW-OAHLLOKOSA-N	406.885	3.912	10	20	HHCD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1	863989962	DAJOANCBLWGPFF-UHFFFAOYSA-N	419.503	3.866	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C)S(C)(=O)=O)c(C)n1-c1ccc(C(C)(C)C)cc1	919349184	FGDNOQCFIXIJSQ-MRXNPFEDSA-N	419.543	3.551	10	20	HHCD	
C[C@@H]1CCC[C@@](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)(N(C)C)C1	919658428	OSHRSBRYGOGBFA-KKLQWCBXSA-N	403.567	3.593	10	20	HHCD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970660	RRSJKWQBBHYMJQ-OAHLLOKOSA-N	420.912	3.832	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccccc1OCC(=O)NC[C@H]1CCCO1	1116565464	RPPWFCKBWBGHMV-MISYRCLQSA-N	424.541	3.713	10	20	HHCD	
Cc1cc(-c2nnc([C@@H](C)NS(C)(=O)=O)o2)c(C)n1-c1cccc(C(C)C)c1	1322400330	CEOIBTPNYBINES-CQSZACIVSA-N	402.520	3.878	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(N3CCNC3=O)c2)cc1	1323368284	XLPNYCMGJOYCRG-UHFFFAOYSA-N	418.497	3.718	10	20	HHCD	
CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821290670	DNJLGNRBSIZIKR-CQSZACIVSA-N	420.897	3.826	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccco3)C2)cc1	1842368822	HISFYRXZECTAKN-UHFFFAOYSA-N	403.482	3.818	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)COc3ccc(Br)cc3)CC2)cc1	55877677	LLQIBZPZTWQVLR-UHFFFAOYSA-N	419.319	3.575	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccccc1OC(F)F	302833187	LSYUNRVZRPPUDA-MRXNPFEDSA-N	406.429	3.613	10	20	HHCD	
CCc1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1=O	303542925	YVHFUIOKYWMPHE-LEWJYISDSA-N	422.525	3.515	10	20	HHCD	
Cc1c(CNC(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n(C)c2ccccc12	472298362	WVIZJZBKUSSPRP-GOSISDBHSA-N	423.492	3.731	10	20	HHCD	
CCOc1cc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)ccc1[N+](=O)[O-]	480833225	XMGROQGCGKYEFQ-UHFFFAOYSA-N	421.453	3.816	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	726237686	ZADYMKCVWKNDPC-ICSRJNTNSA-N	419.447	3.897	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	727121789	QNFHXTCYJNMHHW-NRFANRHFSA-N	411.546	3.847	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1	728983758	FAHSZOOHZUDGKT-CYBMUJFWSA-N	424.457	3.662	10	20	HHCD	
C[C@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccc(N2CCOCC2)cc1	736473549	AYRLTLBJOJCXND-KRWDZBQOSA-N	404.470	3.597	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1	741212513	SBFGHLKDIKEOCK-XMMPIXPASA-N	407.558	3.536	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc2cc[nH]c12	742550626	ANEJEMBXIVPQBR-UHFFFAOYSA-N	403.404	3.953	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)[C@H](O)C2CC2)c(C)n1-c1ccc(OC(F)F)cc1	744988384	DTPKJEYXMPYPMU-BFUOFWGJSA-N	407.413	3.581	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccccc3Br)CC2)cc1	746222362	GARUWSCJOGBVMU-UHFFFAOYSA-N	418.335	3.880	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)ccc21	746812661	CNFXTDHYDOFEBN-UHFFFAOYSA-N	422.479	3.952	10	20	HHCD	
CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCc2ccccc2O)cc1[N+](=O)[O-]	748346392	WPOABFVMHFLYAK-UHFFFAOYSA-N	419.437	3.527	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2cn(C(C)C)cn2)nc1-c1ccccc1	753918342	JIAKCFXEXUVQKB-UHFFFAOYSA-N	420.516	3.565	10	20	HHCD	
COc1ccc([C@H](CN[C@H](C)c2ccc(C)c(C)c2O)N2CCOCC2)cc1OC	756365110	YNHHTCYFMHYQDJ-NQIIRXRSSA-N	414.546	3.750	10	20	HHCD	
COc1cc(OC)cc([C@@H](N[C@H](C)c2cc(F)cc(F)c2O)c2nccn2C)c1	756389806	DYLXXYCYTVCADS-CWTRNNRKSA-N	403.429	3.861	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)cc1	756456727	FGTACSUIYZSGCT-KDOFPFPSSA-N	406.523	3.898	10	20	HHCD	
COCCCN1CCC(N[C@@H](C)c2cc(Br)cc(Cl)c2O)CC1	756529218	POSVTGDBNIXBQA-LBPRGKRZSA-N	405.764	3.960	10	20	HHCD	
Cc1nc([C@@H](C)OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)no1	759552831	XHBPLRNCWWEELK-QQMDNXKGSA-N	423.541	3.725	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCc1nc(-c2cccc(Cl)c2)no1	759578539	GUPVTIIBCBWXAL-UHFFFAOYSA-N	423.951	3.871	10	20	HHCD	
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)c2)n1	760107737	QSWCOKFYSYWCMS-UHFFFAOYSA-N	406.486	3.588	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1	761996527	XEGBWQBDGBWLGF-UHFFFAOYSA-N	419.377	3.697	10	20	HHCD	
C[C@@H]1CCS(=O)(=O)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	763853602	ODJKYMSIXWLRHG-MRXNPFEDSA-N	400.504	3.550	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cn(C)c(Cl)n3)n2)c(F)cc1F	764528143	NYTHUCKWRLWAGF-UHFFFAOYSA-N	404.851	3.584	10	20	HHCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	764634299	HIGMNYPKEMZFRG-GOSISDBHSA-N	401.576	3.778	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1Cc1ccccc1	765288184	VWCSDOFVCAHESL-KNQAVFIVSA-N	411.565	3.930	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)NCc2cccc(Br)c2O)c(Cl)c1	765928220	WROUMRGSQGZSGY-UHFFFAOYSA-N	411.683	3.680	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC3CCC(C(=O)OC(C)(C)C)CC3)ccc21	769728794	UBSNLZNLSLXQFM-UHFFFAOYSA-N	401.551	3.769	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c1	769769763	OSSRRYFDMXPKAW-SFHVURJKSA-N	408.907	3.688	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(Cc2ccc(Cl)cc2)CC1	770678458	WUTNLTHUOLTDAB-UHFFFAOYSA-N	402.897	3.955	10	20	HHCD	
O=C(NCCNS(=O)(=O)c1cccnc1)Nc1ccc(N=Nc2ccccc2)cc1	773254903	FXBSLVWFXKFHQR-UHFFFAOYSA-N	424.486	3.597	10	20	HHCD	
C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(OCc2ccccn2)c1	775002584	RFLLGJBTVNOVRJ-IBGZPJMESA-N	418.541	3.694	10	20	HHCD	
C[C@H](CCc1ccco1)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	775230196	ZKQANXHHANUGHG-GOSISDBHSA-N	411.546	3.802	10	20	HHCD	
C[C@@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	775258049	PLIUJRPGCRELBV-NTKDMRAZSA-N	407.558	3.710	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2scnc2Br)cc1	777856281	YUMXSJWYWBWOJA-HNNXBMFYSA-N	424.364	3.793	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1CCN(Cc2ccccc2Cl)CC1	779485151	YTMBPXYIVDYTGD-VURMDHGXSA-N	400.906	3.793	10	20	HHCD	
CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)cc2C1	781590484	OTVQCQKDBGJOMJ-RMKNXTFCSA-N	410.470	3.678	10	20	HHCD	
Cn1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c(-c2ccccc2)n1	782498207	CBWLRPYDHKJGIG-UHFFFAOYSA-N	421.570	3.640	10	20	HHCD	
O=C(COC(=O)c1cccnc1SCc1ccc(F)cc1)c1ccc(O)c(O)c1	782934318	IGBNCLTULLYXHJ-UHFFFAOYSA-N	413.426	3.964	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C2CCCCC2)cc1	784059232	HOQAJDCMFJYMKR-UHFFFAOYSA-N	403.486	3.963	10	20	HHCD	
COc1cc(F)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1F	784060404	YYRXIPWNFMRXTR-UHFFFAOYSA-N	403.429	3.860	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(=O)c4ccccc43)cc2F)C[C@@H](C)O1	785888831	XTIPCJOJGUFKBE-JXXFODFXSA-N	410.489	3.816	10	20	HHCD	
Cc1ccc([C@@H](C)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(O)c1C	788615256	XIGMAZFSCWFFBJ-UYAOXDASSA-N	414.521	3.516	10	20	HHCD	
CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	789938192	PDFDHRJECWGZOB-HXUWFJFHSA-N	408.608	3.780	10	20	HHCD	
COc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc(-n2cccn2)c1	791968118	BCMXSLYERQRAGC-QGZVFWFLSA-N	421.501	3.600	10	20	HHCD	
CNC(=O)COc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)c1	794409521	LQIRZAYBXHSTKL-UHFFFAOYSA-N	409.461	3.919	10	20	HHCD	
CC[C@@H](NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1ccc(F)cc1O	796817583	MUTBBMINLWYJNA-LJQANCHMSA-N	416.493	3.894	10	20	HHCD	
COc1ccccc1-n1ncc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C	798984078	JBTZFTGHVXDWLG-IBGZPJMESA-N	421.497	3.716	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)NC(=O)C3CCCC3)cc2Cl)C1	800571162	GEMXGIOTDYILMA-JKSUJKDBSA-N	405.970	3.887	10	20	HHCD	
Cc1cc(-c2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2C)c(C)n1-c1ccccc1	800761988	APMHWWDGHMZNBJ-SFHVURJKSA-N	421.545	3.664	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H]1CCCOC1	802429294	PHWMYJWCQGOZOA-FQEVSTJZSA-N	423.561	3.862	10	20	HHCD	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803687809	HKPCHHAYZDJJJZ-UHFFFAOYSA-N	420.340	3.651	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	809702812	YUCBQHXRXIKUOM-WMZOPIPTSA-N	418.287	3.808	10	20	HHCD	
CC[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(C(F)(F)F)cc1O	810207288	ISVYECDJAXDSRS-OAHLLOKOSA-N	413.440	3.706	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCN([C@H]2CCSC2)CC1	816825899	QCVZTBVZQYUMEH-QFIPXVFZSA-N	401.620	3.853	10	20	HHCD	
Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1ccc2c(c1)CCC2	831773397	NJVINJFNOYPKEL-UHFFFAOYSA-N	401.510	3.901	10	20	HHCD	
NC(=O)c1ccc(NCc2c(O)cccc2Br)cc1N1CCCCC1	864006663	XKKFVAQVRGJROD-UHFFFAOYSA-N	404.308	3.856	10	20	HHCD	
Cc1cc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c(C)n1-c1ccccn1	914847992	TVPFDUGXJDTYPX-UHFFFAOYSA-N	420.488	3.617	10	20	HHCD	
COc1ccc([C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)cc1	918202290	YIPNIPNALIOOCY-QFIPXVFZSA-N	413.493	3.621	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2OC(F)(F)F)cc1	918429690	MPLRYMOIQLLRKB-UHFFFAOYSA-N	409.408	3.686	10	20	HHCD	
Cc1nnc(O)c2c(NC(=O)CN(Cc3ccccc3O)C3CCCC3)oc(C)c12	1322784075	JOCKJHYNIRYSJK-UHFFFAOYSA-N	410.474	3.634	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)Cc3cnc4ccccc4n3)CC2)cc1	1326311718	VWGACOTVQGKIGK-GOSISDBHSA-N	404.514	3.556	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1cccc(C(F)(F)F)c1=O	43665419	BVTDZGQXXPALMU-UHFFFAOYSA-N	407.436	3.516	10	20	HHCD	
COc1ccc(N2CCCN([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)cc1	108092346	PRNVGGMYKLSLPL-DEOSSOPVSA-N	407.558	3.961	10	20	HHCD	
O=[N+]([O-])c1ccc(O)c(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c1	238086327	GSQRQRDCCXWUSL-UHFFFAOYSA-N	401.426	3.838	10	20	HHCD	
CN(C)C(=O)Nc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(Cl)c1	435356992	JWVUFQWJJRCTMG-UHFFFAOYSA-N	402.882	3.539	10	20	HHCD	
C[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)COCc1ccccc1	726236462	DKDLNJKGUVDSEK-WOJBJXKFSA-N	411.546	3.736	10	20	HHCD	
O=C(Nc1ccc(Cl)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565364	DUHQJUWQPQAETP-UHFFFAOYSA-N	423.847	3.665	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C/c3cccc4c3OCCO4)SC2=S)c1	726626088	WKHYFQPYCQPJKW-YVLHZVERSA-N	415.492	3.881	10	20	HHCD	
Cc1cc(C(=O)NCCC(=O)NC(C)(C)C)c(C)n1-c1ccc(Br)cc1	728029684	QWNFTMMNFWYPQQ-UHFFFAOYSA-N	420.351	3.891	10	20	HHCD	
CCOc1ccccc1[C@@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)NC(C)=O	728270284	HBCASMOLBTXKGF-HSZRJFAPSA-N	423.557	3.959	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC(c4cn[nH]c4)CC3)c2C)cc1	728919776	UEKUFOJWAIYAGY-UHFFFAOYSA-N	420.513	3.666	10	20	HHCD	
O=C(COC(=O)c1ccc2[nH]ccc2c1)Nc1cccc2c1C(=O)c1ccccc1C2=O	730854802	SPVXIJBUOXWPRJ-UHFFFAOYSA-N	424.412	3.739	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)cc1	731844875	PLWMQJCQZNDJIK-RCZVLFRGSA-N	408.542	3.949	10	20	HHCD	
COc1cccc([C@@H](O)C(=O)OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	732344877	DEIPXXMNESFEGY-HSZRJFAPSA-N	407.466	3.871	10	20	HHCD	
CN(C)c1ccc(Cl)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	737009736	XARNWICJGHKXLS-UHFFFAOYSA-N	406.889	3.703	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COc3ccc(C(=O)N(C)CCO)cc3)c2C)c1	742358146	BGMRNRMAZZEVMI-UHFFFAOYSA-N	420.509	3.729	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)NC(=O)OC(C)(C)C)cc1	742749692	KENBIHFONKHQTA-SMMRIJLZSA-N	401.551	3.871	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(C)o1	742751455	URYONYFBLPCYQP-IBGZPJMESA-N	401.507	3.958	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccccn3)cc2F)C[C@@H](C)O1	744280027	BKYWTELORDMAFU-BRWVUGGUSA-N	400.498	3.737	10	20	HHCD	
CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc(N(C)C)c(F)c1	745788848	SJGOVSUIRJBNQW-NRFANRHFSA-N	412.553	3.945	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C12CCC2	745850199	HJADXWYCVNMOQB-AYOQOUSVSA-N	423.504	3.904	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2NC1=O	745933142	TVPSXFQIRUGTAS-QRWLVFNGSA-N	410.518	3.765	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c[nH]c(C)cc3=O)c2C)cc1	748452951	CTZQPEWAYWBUPO-UHFFFAOYSA-N	408.454	3.529	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(Oc2ccccc2)o1	748913798	WNFKPSNPPODJQQ-UHFFFAOYSA-N	408.454	3.953	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c2c(nc3ccccc13)CCC2	749405086	ATJLQMSJFLCNLB-UHFFFAOYSA-N	419.500	3.754	10	20	HHCD	
CCCN(CC)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	749733643	VVACOYNASHAMCQ-UHFFFAOYSA-N	413.537	3.953	10	20	HHCD	
COc1ccc(-n2c(C)cc(CN(C)C(=S)NC3CCN(C)CC3)c2C)cc1	749832913	LCARHANLFLWEML-UHFFFAOYSA-N	400.592	3.503	10	20	HHCD	
CC(C)C(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	751120087	BOCHKOXTNLUKAM-LJQANCHMSA-N	417.527	3.601	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccccc3SC)CC2)cc1F	753856145	AAUPPASELKBULF-OAHLLOKOSA-N	403.523	3.705	10	20	HHCD	
COc1c(F)ccc(F)c1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1	755235906	NDIXKKSOSKUFEG-UHFFFAOYSA-N	401.457	3.758	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c1O	755774867	NOMYECZYQRABPA-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC3CCN(c4cccs4)CC3)CC2)cc1	755985539	OEGPHUHCNIXSHP-UHFFFAOYSA-N	414.575	3.694	10	20	HHCD	
COC(=O)c1ccc2c(O)nc(CN(Cc3ccco3)Cc3ccccc3O)nc2c1	756321124	SONDNHXWLPMTML-UHFFFAOYSA-N	419.437	3.623	10	20	HHCD	
CCc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1CC(C)C	756794768	XYVGCTZPALNSQC-GOSISDBHSA-N	418.969	3.855	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(-c3ncco3)ccc2C)cc1	758971015	WCKVIQKGCYCQJC-UHFFFAOYSA-N	406.486	3.751	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnc3nccnc3c2)cc1	759848147	AEHKLSXTZLKLGL-UHFFFAOYSA-N	413.481	3.946	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1scnc1C1CC1)c2[N+](=O)[O-]	762703033	PVSAXPUNKCWWBR-UHFFFAOYSA-N	419.418	3.956	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1	762730386	ABUOIXHYNBWDLA-HBMCJLEFSA-N	403.567	3.647	10	20	HHCD	
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1	763429587	KRNXZTICYWSWRN-UHFFFAOYSA-N	420.506	4.000	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccccc2)c(Br)s1)c1cncc(F)c1	764534230	WYUFDPZKUPMHML-UHFFFAOYSA-N	414.281	3.908	10	20	HHCD	
O=C(NCc1ncc(-c2ccccc2)o1)NCc1cccc(Br)c1O	764763488	MNNRWOOORDOQFU-UHFFFAOYSA-N	402.248	3.809	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](O)c1ccccc1Cl	765178995	XHOIEOGROBEENC-DNVCBOLYSA-N	409.313	3.513	10	20	HHCD	
COc1cc(C)c([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OC	765246765	VVGPLDHBORMCHS-PKOBYXMFSA-N	411.546	3.565	10	20	HHCD	
C[C@@H](NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	765505036	YMPLQDXXTVBESK-QRWLVFNGSA-N	410.436	3.806	10	20	HHCD	
COc1cc(OC)cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	767837964	VRQCSFQONCHSOL-UHFFFAOYSA-N	404.532	3.515	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1	768909652	AFPJBHJVPCURDY-AOMKIAJQSA-N	404.466	3.749	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](O)COCc1ccccc1	769102255	YDWNVRGQIWGKNZ-OAQYLSRUSA-N	413.518	3.595	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1	769531135	UJPREERZZJVHMG-JOCHJYFZSA-N	420.465	3.685	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	771437732	YIORBUQXLXOHIN-BUKVSMQUSA-N	416.493	3.998	10	20	HHCD	
COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1	775203117	JXGJYHCPAFPVND-XLIONFOSSA-N	407.595	3.833	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(-c2ncco2)cc1	777610859	PMJIMKBZDFSYDX-UHFFFAOYSA-N	406.486	3.872	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](c3cccc([N+](=O)[O-])c3)c3nccn3C)CC2)cc1	780767507	WMFHVDYRQGUGRS-JOCHJYFZSA-N	421.501	3.685	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)cc1C(F)(F)F	784023901	GTWZMNHVKSROEC-UHFFFAOYSA-N	410.392	3.797	10	20	HHCD	
Cc1nc(-c2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2)n[nH]1	784112965	QSGPIENIXPGFQQ-UHFFFAOYSA-N	418.501	3.524	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCc3nccn3C2)cc1	786937994	IQMXSIODTQMSNL-LJQANCHMSA-N	404.514	3.754	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc(O)c2ccccc12	787079003	LMIRVCOPWUVPJL-AWEZNQCLSA-N	413.424	3.941	10	20	HHCD	
COC(=O)[C@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)[C@H]1C	787241868	HRYZVJWEDFQCDS-YOEHRIQHSA-N	407.466	3.857	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2cc[nH]n2)c(C)n1-c1cccc(Br)c1	787782303	XCHMVNBUDAJWEU-UHFFFAOYSA-N	416.275	3.548	10	20	HHCD	
Cc1cnc(Cl)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	787872390	CMTWRMNRYMKFAD-UHFFFAOYSA-N	400.910	3.631	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(N2CCCC2)nc1	791247675	HNFRBZOGKLKJPF-UHFFFAOYSA-N	424.545	3.684	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)CCC(=O)OC(C)C	792304341	ZICWGHOKBOJVMV-ZDUSSCGKSA-N	415.328	3.807	10	20	HHCD	
CC(C)n1nccc1CNC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	793036875	FFAKTAGXGSCKPF-FQEVSTJZSA-N	401.555	3.886	10	20	HHCD	
CCc1ccc(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl	795291238	XEPOGWOKPLAADU-UHFFFAOYSA-N	405.901	3.606	10	20	HHCD	
CO[C@@]1(C)CCCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	796499716	FFNDLROFWFYWDW-CPJLOUKISA-N	420.509	3.680	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c(O)c1	797647707	LCRZYIPWLIUUPB-UHFFFAOYSA-N	401.463	3.747	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H](C)NC(=O)CCc3ccccc3)cc2)CC1	799414392	CRAWHXOWCOUJEW-HXUWFJFHSA-N	407.558	3.677	10	20	HHCD	
C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)NCc1ccc(N2CCCC2)cc1	799885392	GPTMMESHOWNSRJ-LJQANCHMSA-N	408.546	3.648	10	20	HHCD	
CC(=O)OC1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	800718859	DTBAIYBGMQUGAR-HNNXBMFYSA-N	407.942	3.813	10	20	HHCD	
CCCCN(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccccc1O	801598268	XYAHEHCGJXBFCG-JOCHJYFZSA-N	400.494	3.734	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C(C)C)C1	802520270	CZIWWIYMENRHEK-JOCHJYFZSA-N	423.561	3.860	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)c1ccccc1F	804128596	YZJFRHNLNWQGAD-UHFFFAOYSA-N	413.537	3.723	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc21	806634778	LEANZRSIWCJNCV-SANMLTNESA-N	418.585	3.877	10	20	HHCD	
C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	807289316	PQTOCBAISCYZFW-WZONZLPQSA-N	403.526	3.509	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1C(=O)OC(C)C	808525552	DCIIPEVSRSSFQR-UHFFFAOYSA-N	417.512	3.880	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@H]2CCCC(=O)N2)c(C)n1-c1ccc(F)c(Cl)c1	808683961	LQLVQGIREZBSQA-CQSZACIVSA-N	420.868	3.671	10	20	HHCD	
CCCCN(C)C[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	811931968	XZWFHCMSLFFTBJ-INIZCTEOSA-N	412.525	3.676	10	20	HHCD	
COCCc1ccc(OC[C@@H](O)CN2CCCc3cc(OC(F)F)ccc32)cc1	815065493	FDYJAYJCHBSVSI-SFHVURJKSA-N	407.457	3.669	10	20	HHCD	
COc1ccc(C(=O)NCCCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	914777999	KJPIZWLBFJAILX-UHFFFAOYSA-N	411.546	3.708	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)c3ccoc3C)c2C)c1	919479603	MCDCZMGPAKRIDT-UHFFFAOYSA-N	422.481	3.768	10	20	HHCD	
O=C(CCc1ccc2c(c1)CCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	1116245279	JORSAIHPSSZVQE-UHFFFAOYSA-N	416.468	3.941	10	20	HHCD	
CCOC(=O)[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cccc(C)c1C	1116675047	PWMMRHNQPPQNPE-QHCPKHFHSA-N	413.537	3.588	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1ncnc2sc3c(c12)CCC3	7229227	DSJAFUFAWOGVQL-UHFFFAOYSA-N	412.584	3.997	10	20	HHCD	
CCN(CC)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1F	236932290	IRDDSIDVWDTVRP-INIZCTEOSA-N	407.555	3.773	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccc2c(c1)OCCO2	237829888	CKDUSRDVRIFSKL-UHFFFAOYSA-N	408.420	3.603	10	20	HHCD	
CC[C@H]1CCc2nc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)sc2C1	472790952	RTAZPEOBBFUAQG-AWEZNQCLSA-N	410.543	3.713	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnnn1-c1c(Cl)cccc1Cl	483727995	OMLFGMOGZQTVPH-UHFFFAOYSA-N	418.284	3.679	10	20	HHCD	
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2=O	728280782	YGNVQHZPCDKRDL-GOSISDBHSA-N	419.525	3.628	10	20	HHCD	
COc1cccc(-n2ccnc2SCC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	728977880	GOTNUVRJJRZDMO-CQSZACIVSA-N	413.499	3.565	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cnn1-c1ccccn1	731014762	JMTJMQFTZDMYST-UHFFFAOYSA-N	403.530	3.996	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](c1ccccc1OC)c1nccn1C	731278451	ATLMOQRSOYAGJL-OAQYLSRUSA-N	408.502	3.846	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1C	731298716	LMXMKRWNSDEVGA-UHFFFAOYSA-N	423.541	3.779	10	20	HHCD	
Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cc(C)n(-c2ccccn2)c1C	731626536	YAYCPTFIIMUXKR-HXUWFJFHSA-N	420.538	3.951	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1	732819131	CLPKVHCEZVHYPP-UHFFFAOYSA-N	403.548	3.788	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(N2CCC(O)CC2)cc1	733886917	LQABECHQTMQATE-UHFFFAOYSA-N	407.558	3.910	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1	734669786	AMZFWFLDBSNQJQ-FQEVSTJZSA-N	424.589	3.760	10	20	HHCD	
CC(C)C[C@H]1CCCCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	740887636	YKNUYPIEARSINV-HXUWFJFHSA-N	405.558	3.569	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](O)c1ccccc1C(F)(F)F	740919615	DCNIMMWQSHPHQP-IBGZPJMESA-N	405.420	3.614	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(N3CCOC3=O)ccc2F)cc1F	741686876	LAXHQEPVFWMODY-UHFFFAOYSA-N	403.429	3.698	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC2(Cl)Cl)NC(=O)OC(C)(C)C)cc1	742750183	AXVSCDARJQQNEB-CABCVRRESA-N	416.349	3.628	10	20	HHCD	
O=C(CSC[C@@H]1CCCCO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805562	LQBMQCWSHWSDDZ-QAPCUYQASA-N	414.518	3.675	10	20	HHCD	
CN1C(=O)C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)[C@@H]1c1cccc(Cl)c1	743719640	MUJNTBRIUICAHQ-GCJKJVERSA-N	412.917	3.760	10	20	HHCD	
COc1cc(C)c(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC	751445730	GNPXVFPACCAOQP-LFIBNONCSA-N	409.529	3.858	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1F	754190564	IKMJVQYXMXWSPH-UHFFFAOYSA-N	411.399	3.642	10	20	HHCD	
C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754236943	AKBILIAMCORADS-LSDHHAIUSA-N	407.486	3.949	10	20	HHCD	
C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1O	756542518	AYZWDMLCNJRVSJ-GJZGRUSLSA-N	402.470	3.603	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@H]1CCCS1	756979839	JQALKIWOMKCUEV-JFBXQDQPSA-N	412.627	3.741	10	20	HHCD	
COc1ccc(CN(C)Cc2cc(Br)cc(Br)c2O)cn1	757917265	ACFVVXXSWYPRFR-UHFFFAOYSA-N	416.113	3.953	10	20	HHCD	
CO[C@](C)(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1F	758092950	LLWKBFWFOOCIRW-KXNSMUHISA-N	418.484	3.756	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1c1ncnc2sccc12	764894434	IXUSSQKPKGKMEN-LJQANCHMSA-N	409.559	3.775	10	20	HHCD	
COCCN(C)CCCC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	766520323	BLBMRHYFJJYBFP-UHFFFAOYSA-N	416.610	3.567	10	20	HHCD	
Cc1nc(-c2ccccc2)ncc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	767978364	YEDYSJVTKXXYRW-HXUWFJFHSA-N	403.482	3.979	10	20	HHCD	
Cc1sc2nc(CN3CCN(Cc4cc(Cl)ccc4O)CC3)nc(O)c2c1C	768193305	IBBNLTMJLPYANW-UHFFFAOYSA-N	418.950	3.691	10	20	HHCD	
CCOc1ccc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	768912663	QXHLSOZICICUMV-IBGZPJMESA-N	402.922	3.768	10	20	HHCD	
CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(Br)cc(OC)c2O)C1	769008533	ZLOZPJAOSQKESJ-UONOGXRCSA-N	413.356	3.680	10	20	HHCD	
CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1	769209914	ONEFNULIAPVNIJ-UONOGXRCSA-N	413.356	3.680	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCN(Cc3cccc(O)c3)CC2)ccc1N1CCCCC1	769239597	PQCWWCXUQYMLGO-UHFFFAOYSA-N	410.518	3.609	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CCOc2ccc(Cl)cc2Br)c1	769529810	ZVOACPWOSLARKW-UHFFFAOYSA-N	414.683	3.902	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(N(C)C)cc1	773610647	FJWXDKWFNZUTRU-QGZVFWFLSA-N	417.513	3.960	10	20	HHCD	
CCCCCCn1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2ccccc2c1=O	773741364	WCPASSPKOOKZQV-MRXNPFEDSA-N	423.513	3.749	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1O	774911462	GQEFQEXOOMMLMQ-ICSRJNTNSA-N	411.502	3.796	10	20	HHCD	
C[C@H](NCC(=O)N[C@H](C)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	775258114	QQPVEDUIKDNLIY-DLBZAZTESA-N	401.938	3.705	10	20	HHCD	
CC(C)[C@@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1	775260291	OJNPYNQDMPPXHY-HOYKHHGWSA-N	413.537	3.826	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)c1	775373127	MWMDEICQEDYNOK-HNNXBMFYSA-N	408.502	3.801	10	20	HHCD	
C[C@H]1C[C@H](NCc2ccc(N3CCCS3(=O)=O)c(F)c2)c2c(O)ccc(F)c21	775582136	ULHOZEPEPXYSOG-LRDDRELGSA-N	408.470	3.548	10	20	HHCD	
C[C@@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1	775833784	MBZQLUQNBWYGJF-UTKZUKDTSA-N	409.530	3.538	10	20	HHCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@]1(N2CCOCC2)CCSC1	776263437	CGQUTFOYYUYYLK-ISKFKSNPSA-N	412.599	3.864	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c[nH]c2cc(C)ccc12	777829184	UIBHDNREBYPEAQ-UHFFFAOYSA-N	400.862	3.580	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1c[nH]nc1-c1ccc(Cl)s1	778567960	SXPAAWUFDTZRFG-UHFFFAOYSA-N	402.907	3.558	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)CN(C)[C@H](C)c3cc4ccccc4o3)CC2)cc1	779213835	LUJMEBJKLZQEDV-KNQAVFIVSA-N	423.557	3.617	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccnn1Cc1ccc(Br)cc1	779513225	GDZVLAKFGYYWKS-XBXARRHUSA-N	414.259	3.757	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1noc2c1CCCCC2	780935414	LKIMCKHHHUGGDX-MRXNPFEDSA-N	403.910	3.697	10	20	HHCD	
CCOC(=O)c1c(C)oc2nc(CN(Cc3ccc(N(C)C)cc3)C3CC3)nc(N)c12	781884268	KPSBJHSDXDBDES-UHFFFAOYSA-N	423.517	3.521	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1	782560652	WWNKXWLXYBPUMS-MOPGFXCFSA-N	416.566	3.922	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1F	782656880	VOVHYYMDWSKKAN-JKSUJKDBSA-N	408.518	3.527	10	20	HHCD	
COc1ccc2c(c1)CCN(C(=O)NCc1ccc(N3CCSCC3)cc1)CC2	784070068	IWEJGCGEGZEQDE-UHFFFAOYSA-N	411.571	3.559	10	20	HHCD	
C[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1cc(Br)c(F)cc1O	786960517	JNUVBBGTKDJLQC-MRVPVSSYSA-N	408.314	3.610	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cccc(-c3ccccn3)c2)cc1	788939727	NBJYKEJWTFXIPU-UHFFFAOYSA-N	416.525	3.527	10	20	HHCD	
C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	804005674	DUJLUFNISJZRIN-ZIAGYGMSSA-N	422.356	3.984	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1c(F)cccc1OC(F)(F)F	805001830	RJDYGSWFCGOSMY-UHFFFAOYSA-N	416.443	3.642	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cc1)C1CCCCC1	805011159	HZWNQEZLFJRKBD-FQEVSTJZSA-N	412.578	3.609	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)cc1	806170137	OSKVJXYAPFIECM-VGOFRKELSA-N	411.546	3.612	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccccc1Cl	806276967	YCZMJZYCUXUGKC-HNNXBMFYSA-N	411.980	3.908	10	20	HHCD	
O=C(NCCCc1ccccc1F)C(=O)N(Cc1ccccc1O)C1CCCCC1	807315921	ISVNIBKVTFCOFH-UHFFFAOYSA-N	412.505	3.942	10	20	HHCD	
Cc1cc(Br)cc(CNCCCn2cc(Br)cn2)c1O	809784081	QGWQZFVACVHZDE-UHFFFAOYSA-N	403.118	3.602	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c1	810256182	XDIJMNZRCRMCTK-HNNXBMFYSA-N	409.486	3.621	10	20	HHCD	
Cc1ccccc1/C=C1\SC(=S)N(c2cccc(S(=O)(=O)N(C)C)c2)C1=O	814274691	XOOIJHPVXPJPSY-BOPFTXTBSA-N	418.565	3.651	10	20	HHCD	
O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2c(O)ccc3ccncc23)CC1	917431579	RHGPFYYSKAEUAK-UHFFFAOYSA-N	415.415	3.917	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1	918024922	IQZPJFZUTLWZOX-OAHLLOKOSA-N	420.435	3.729	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC3CC(C)(C)NC(C)(C)C3)cc2F)C[C@@H](C)O1	918147964	OAMWZBGHWYRTRM-IYBDPMFKSA-N	420.573	3.548	10	20	HHCD	
Cc1cc(C(=O)NCCN2C(=O)COc3ccccc32)c(C)n1-c1ccc(Cl)cc1	1318211606	PNTRXWXQTNGZJJ-UHFFFAOYSA-N	423.900	3.903	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3cc(Cl)ccc3OC)CC2)cc1	1318430642	CZTLRMGCFMSSCF-UHFFFAOYSA-N	417.937	3.868	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(Sc2ccccc2)CC1	1319414633	FYBJFJIPXGHCRA-UHFFFAOYSA-N	400.519	3.728	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCN2CCCO[C@H](C)C2)c1	1321146156	HFHDIEARFYDFEV-GOSISDBHSA-N	403.954	3.978	10	20	HHCD	
O=C(CCCCNC(=O)OCc1ccccc1)Nc1c(Cl)ccc2nonc12	1324139271	ARMHSDYDCLFWCO-UHFFFAOYSA-N	402.838	3.911	10	20	HHCD	
CO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(O)c(O)c(Cl)c3)CCC2)cc1	1791632709	LDVKEGPIGHFACT-GFCCVEGCSA-N	418.877	3.534	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(F)F)C3)cc1	1800513408	KEAKTJXXICAKCO-GGPHIMKMSA-N	401.457	3.611	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1cccc(Br)c1	29211525	XHYVMIPNNZRXRT-UHFFFAOYSA-N	403.236	3.844	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	108813545	KNCVRNNDKXHYQA-SBHAEUEKSA-N	417.594	3.839	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)cc3C)n2)cc1	170551179	RAGNFMNZIAAWHL-UHFFFAOYSA-N	415.540	3.864	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cccc(C(=O)NC(C)(C)C)c3)CC2)cc1	195547030	GZZBHFFEBWWKSH-UHFFFAOYSA-N	424.545	3.968	10	20	HHCD	
Cc1cc(-c2nc(COc3cccc(F)c3)no2)ccc1NC(=O)C1=S=CC=C1	435977726	GGVCKLVETUMVCK-UHFFFAOYSA-N	409.442	3.979	10	20	HHCD	
CCCN(CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)Cc1ccccc1O	727830666	GFZYQAMVYPBLRM-KRWDZBQOSA-N	400.519	3.807	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	728469433	PVRMWPKIBDGLQW-HUUCEWRRSA-N	415.465	3.548	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(OCCC(C)C)c2)c1	729063059	XJLWMJUPAJVZLT-OAHLLOKOSA-N	400.475	3.642	10	20	HHCD	
Cc1cc(C)cc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	730583352	QIRMORBPVRAHDW-UYAOXDASSA-N	408.546	3.566	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)cc1F	731347046	KAQPVUKJOSWGNL-HSZRJFAPSA-N	411.521	3.824	10	20	HHCD	
CN(C)c1ccc(CNCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)cc1	733331927	NOWMAVKTPJZKSM-UHFFFAOYSA-N	420.557	3.797	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cn(C)nc3-c3ccccc3OC)CC2)cc1	740659092	YIFCKVDPHRFYHU-UHFFFAOYSA-N	420.513	3.503	10	20	HHCD	
O=C(NCCOc1ccc(F)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743531624	FOIHEPPEJZRHOC-INIZCTEOSA-N	423.435	3.774	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1	746836696	XBXLQBCOOMUCIW-QFIPXVFZSA-N	407.558	3.646	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCN1Cc1ccc(F)cc1	747360332	UKDLWJQMWMJPCJ-JOCHJYFZSA-N	413.562	3.660	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)cc1F	750286370	NEHJNRDZHMWLPX-FQEVSTJZSA-N	421.557	3.932	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(OC)cc3Br)CC2)cc1	750732485	PCYPMLPBQMAVDC-UHFFFAOYSA-N	419.319	3.819	10	20	HHCD	
CCOC(=O)Cc1nnc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)s1	752354057	MMVITHJPYRWURF-UHFFFAOYSA-N	418.519	3.716	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCOC2)cc1	752847746	YWFUCYYXCNXKBS-IBGZPJMESA-N	408.550	3.792	10	20	HHCD	
CCOc1ccc(-c2noc(CN3CCN(c4ccc(OC)c(F)c4)CC3)n2)cc1	753859973	DQRTZGMSICDVEQ-UHFFFAOYSA-N	412.465	3.605	10	20	HHCD	
Cc1nc(-c2ccc(C)c(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)n[nH]1	755830408	UPRZDNJSDQRCAK-UHFFFAOYSA-N	420.517	3.589	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1	756398299	UMTFTLVRDRUIKE-VIFPVBQESA-N	400.788	3.967	10	20	HHCD	
C[C@@H](NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1O	756763580	XHOKMDMDHXTZHW-TZMCWYRMSA-N	414.380	3.701	10	20	HHCD	
Cc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c(O[C@H]2CCOC2)c1	758658366	LKEMTVBJUDESLH-FQEVSTJZSA-N	405.498	3.895	10	20	HHCD	
CC(C)Oc1ccc(N(C)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1	759913520	FBGDYWRPPJPJNI-UHFFFAOYSA-N	409.530	3.787	10	20	HHCD	
C[C@H](c1ccccc1)n1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)n1	760076862	IQTAQXDYVSQVNP-GOSISDBHSA-N	405.502	3.651	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@H]1CCNC(=O)C1	760384353	MDVSISIOEMQRKJ-KSSFIOAISA-N	419.447	3.824	10	20	HHCD	
Cc1cc(NCc2cccc(Br)c2O)n2nc(C(F)(F)F)nc2n1	764934335	LFANPKBIBQBYFJ-UHFFFAOYSA-N	402.174	3.532	10	20	HHCD	
C[C@H](NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(N2CCCCCC2)cc1	765626488	OERUYVWIYRMLSQ-NZQKXSOJSA-N	400.611	3.660	10	20	HHCD	
O=C(c1ccc(=O)n(-c2ccccc2F)n1)N(Cc1ccco1)Cc1ccccc1O	765856533	CMDFDKYKOISPST-UHFFFAOYSA-N	419.412	3.513	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3csc(-c4ncccc4F)n3)CC2)cc1	768384819	OQODRKPLYNYCQR-UHFFFAOYSA-N	412.490	3.752	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)cc1	769006467	CKTCOVZUZVGXDW-UHFFFAOYSA-N	404.396	3.674	10	20	HHCD	
CCO[C@H](C)c1noc(CN2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)n1	769507122	LGJNYAXMSIFGFN-GOSISDBHSA-N	422.529	3.858	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)CNC(=O)OC(C)(C)C	769563777	WYYMTOCHLDNMBY-UHFFFAOYSA-N	409.546	3.645	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1cn(C)c2cc(F)ccc12	770520732	ZPAMPXWMFRFSSZ-UHFFFAOYSA-N	424.520	3.538	10	20	HHCD	
CCCCn1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)n1	774293297	YSISVKWJLXYDEA-FQEVSTJZSA-N	400.523	3.588	10	20	HHCD	
C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	775665969	PDTOVPQFMAOXBW-UGKGYDQZSA-N	407.558	3.664	10	20	HHCD	
CCN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@@H]1CCN(Cc2ccccc2)C1	775727357	COVWMEGANZDCCX-VWLOTQADSA-N	406.618	3.782	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(OC)c(Br)c(OC)c2)c1O	776025217	PAPIXAOZQBHOGR-UHFFFAOYSA-N	411.252	3.502	10	20	HHCD	
COCCNC(=O)[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(N2CCCCC2)cc1	777245485	NCZOVRBRMPZPNZ-RDPSFJRHSA-N	409.574	3.701	10	20	HHCD	
Oc1ccc2cc(Br)ccc2c1CN1CCC(Cn2cncn2)CC1	777562406	QWOQKUURIKICHY-UHFFFAOYSA-N	401.308	3.812	10	20	HHCD	
CN(Cc1cc(Br)cc(Br)c1O)C[C@@H]1CCCC[C@H]1O	779154601	WQDRNMGWSXXNDG-IINYFYTJSA-N	407.146	3.900	10	20	HHCD	
CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)/C=C/c1ccc(O)c(O)c1	779532779	SSERZUOQRBVYCY-NBUZRDOWSA-N	424.280	3.708	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(OC)cc1Br	780396659	DBNOPGYCIFIRPD-UHFFFAOYSA-N	422.684	3.626	10	20	HHCD	
CC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1C	785564394	BBALJIKVNQCWJO-NRFANRHFSA-N	409.530	3.841	10	20	HHCD	
Cc1nnc2c3ccccc3c(NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nn12	786576040	OPMDEVFWYVLGHO-GASCZTMLSA-N	420.492	3.951	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)ccn1	789022487	PHGSGJQMZMNREL-UHFFFAOYSA-N	406.438	3.608	10	20	HHCD	
CC[C@@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)sc2C1	789743522	HXVCVAOHDKZMIR-UONOGXRCSA-N	400.548	3.540	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCC(CS(C)(=O)=O)CC3)c2C)c1	795249772	JRMYFQYUUWZTPM-UHFFFAOYSA-N	416.587	3.650	10	20	HHCD	
Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	797620809	XUDGXFMMUGOQIE-OAHLLOKOSA-N	401.532	3.712	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc1	797659838	JSKRJWJOMOWVAB-UHFFFAOYSA-N	400.454	3.950	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2ccccc2c(=O)o1	797718427	DMKAGLYWODWYSN-UHFFFAOYSA-N	414.408	3.793	10	20	HHCD	
CC(C)Sc1ccccc1NC(=O)C(=O)NCc1cc(Br)ccc1O	807386702	FPQBYZJBNJLYTC-UHFFFAOYSA-N	423.332	3.910	10	20	HHCD	
Cc1c(CO)cc([N+](=O)[O-])c(NCc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-]	808090144	QQJGZAGZDLZFLE-UHFFFAOYSA-N	402.190	3.928	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCCc3occc3C2)c([N+](=O)[O-])c1Br	808167061	UTDASZGRJLEHFS-UHFFFAOYSA-N	412.196	3.820	10	20	HHCD	
CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cn(C)nc3C(F)F)SC2=S)c1	812219666	KXVUZQRRVZKIKP-MLPAPPSSSA-N	408.455	3.722	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C2CC2)cc1	914440203	TVMZUILGXOAKSN-UHFFFAOYSA-N	420.340	3.980	10	20	HHCD	
O=C(Cc1ccc2c(c1)CCC2)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916458112	VKTKBUGDKOEZHI-UHFFFAOYSA-N	418.459	3.890	10	20	HHCD	
CCN(CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1C	916513680	KYMSQKFOLVIJDP-OAQYLSRUSA-N	411.546	3.918	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1	916566171	PFBCUNUGRKOHMV-VKVQTHCXSA-N	409.486	3.882	10	20	HHCD	
CC(C)CNC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	916691145	JTJLCQDVWFTINJ-UHFFFAOYSA-N	424.545	3.573	10	20	HHCD	
CN(CCCOc1ccc(Cl)cc1)CC(=O)N(C)Cc1ccc(N(C)C)cc1	917084454	JNGGRLNHVWNFFL-UHFFFAOYSA-N	403.954	3.765	10	20	HHCD	
COc1cc(C)ccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	917797427	AVKILSQVVQUFRM-UHFFFAOYSA-N	416.389	3.940	10	20	HHCD	
CCOC(=O)C[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1cccc(OC)c1	918139503	UIUNGLCHQRIEIT-NRFANRHFSA-N	421.497	3.922	10	20	HHCD	
CC(=O)Nc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C	918310744	OOBQZTANYJQFEJ-UHFFFAOYSA-N	422.529	3.541	10	20	HHCD	
CCOC(=O)CSc1nnc(NC(=O)c2sccc2-n2c(C)ccc2C)s1	918320463	NBDFGRJRGYVKQM-UHFFFAOYSA-N	422.557	3.915	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2c(OC(F)F)cccc2[nH]1	919765938	RKQDBIJWHHWAEV-UHFFFAOYSA-N	401.413	3.536	10	20	HHCD	
C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)CN(C)C(=O)OC(C)(C)C	1318900676	SOMZIUCDGIJYPX-OAHLLOKOSA-N	405.539	3.573	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@@H](c4ccccc4Cl)C3)cc2F)CC1	1341568236	RVVJYIIFVZCAGK-JOCHJYFZSA-N	403.929	3.804	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1)c1cc(O)nc(O)c1	1788429362	KBIXNUKAIDOAMK-UHFFFAOYSA-N	421.497	3.821	10	20	HHCD	
CC1=CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1	1797694911	KYIMALVOOJTYIW-MXASKKJJSA-N	418.921	3.749	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(-c4ccc(C)cc4)n(C)c3=S)CC2)cc1	42910747	UWPVLYZZAOQXIK-UHFFFAOYSA-N	409.559	3.715	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(C(F)(F)F)cc1	105344026	VCGBTSXJOYRUHI-UHFFFAOYSA-N	408.420	3.579	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCOc1ccc(F)cc1Cl	108405857	DLSJMCKYQKIQSE-UHFFFAOYSA-N	406.885	3.743	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CSc2nncs2)cc1	303457454	GLXTZTSANXCRKJ-UHFFFAOYSA-N	414.556	3.938	10	20	HHCD	
COc1ccccc1N1CC[C@H](CNC(=O)NCc2c(C)c3ccccc3n2C)C1	471821431	KMEJXLGENFUOHQ-GOSISDBHSA-N	406.530	3.821	10	20	HHCD	
C1=C(c2c[nH]c3ncccc23)CCN(c2nc3ccccc3nc2N2CCOCC2)C1	484933459	KNEIKRDPBNKEAO-UHFFFAOYSA-N	412.497	3.636	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1	729631222	LQCXMAKOKMHTMI-UHFFFAOYSA-N	424.545	3.668	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2OC(C)C)cc1F	731409262	OIQJKUPJWKOYFT-UHFFFAOYSA-N	401.482	3.714	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)NC(=O)c2ccoc2)cc1	732114511	GASOFUBKTUKUJD-KRWDZBQOSA-N	421.497	3.706	10	20	HHCD	
O=C(CCOc1ccc(F)c(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1	736196219	PGIGUDKKNZQZCN-UHFFFAOYSA-N	420.912	3.773	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cc1	737126796	MBTUOJAKEXWUEX-UHFFFAOYSA-N	418.497	3.975	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1	739757887	HDPARNRRZHMWNF-IBGZPJMESA-N	408.889	3.678	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	741077913	AWOOXOZHMQRPPX-NJDAHSKKSA-N	417.619	3.975	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1SC(F)F	741097689	VLVIDEVQRPPEMB-UHFFFAOYSA-N	403.454	3.632	10	20	HHCD	
CC1CCN(c2cccc(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)c2)CC1	741136142	GIQHJPQBWFCSLB-UHFFFAOYSA-N	415.515	3.680	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2ccco2)[nH]n1	742798674	BPHHSRXFETUCQF-ZDUSSCGKSA-N	402.401	3.670	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(N4CCOC4=O)ccc3C)CC2)cc1	743241472	XMMRTMGVFFHJJV-UHFFFAOYSA-N	424.501	3.704	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C12CCCC2	743703029	RRQXAUUQIWLPSL-LEWJYISDSA-N	401.551	3.701	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1c(C)nn(CC)c1C	745802012	VLNRADYSHJGHCK-UHFFFAOYSA-N	409.328	3.720	10	20	HHCD	
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)ccc21	747848513	NXBDYXANNKYVCP-UHFFFAOYSA-N	419.553	3.972	10	20	HHCD	
C[C@H](NC(=O)NC[C@H]1SCCc2ccccc21)c1ccc(N2CCOCC2)cc1	749563658	ZSBGOXXKCCTCPL-HTAPYJJXSA-N	411.571	3.914	10	20	HHCD	
C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1	750732695	VQSWNPLAXYDGAX-HNNXBMFYSA-N	403.320	3.706	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)oc1C	751126312	LGFLRTAVFFVKHK-UHFFFAOYSA-N	412.876	3.952	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(-c4ccc[nH]4)cc3)cc2)C1	752788860	GXYWWFNZIKATNL-LJQANCHMSA-N	417.513	3.705	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)c(C)n1-c1ccccn1	753116607	VSOKCOYIJAKPCM-UHFFFAOYSA-N	418.541	3.870	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)c(C)c([N+](=O)[O-])c1	753131059	QWLILKRPKLRCQA-UHFFFAOYSA-N	413.430	3.596	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc2ccccc2c1	753202625	CKFGTFSTDUYFPB-MBSDFSHPSA-N	415.537	3.961	10	20	HHCD	
C[C@H](NCCCSc1nccs1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1	753966447	YCJFESXJVNUYER-FUHWJXTLSA-N	421.588	3.641	10	20	HHCD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H](C)c3ccc(F)cc3O)cc2)C1	756430149	IEQVWSGTGUUSQL-JKSUJKDBSA-N	406.523	3.803	10	20	HHCD	
C[C@@H](NCC1(N2CCCC2)CCOCC1)c1cc(Br)c(F)cc1O	756543485	PFDSWDASWJFNGN-CYBMUJFWSA-N	401.320	3.589	10	20	HHCD	
O=C1Cc2cc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)c(Cl)cc2N1	758164731	ZOQCGJMUIBXSHA-UHFFFAOYSA-N	407.662	3.648	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCc2c1cccc2C(F)(F)F	759362076	RBYRZPLDXSLEET-UHFFFAOYSA-N	417.431	3.511	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(I)c1	760544421	GWMVCAKTZQNHTP-UHFFFAOYSA-N	424.282	3.604	10	20	HHCD	
CCC(=O)N1CC[C@H](NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1	762565687	XDUXTNVXYOJUFL-HNNXBMFYSA-N	418.335	3.597	10	20	HHCD	
CC[C@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccc(F)cc1	763579714	RDRKZKIAUMMVDU-IBGZPJMESA-N	416.493	3.694	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Cc2c[nH]c3cc(Br)ccc23)cc1F	765337084	RXJTYKQGJLQGPZ-UHFFFAOYSA-N	404.283	3.994	10	20	HHCD	
CCc1ccc(C(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1S(C)(=O)=O	765791526	PUFPFAKEWRLGCE-UHFFFAOYSA-N	406.523	3.568	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)c1	767796329	SMCUZYVUWQEUBS-OXJNMPFZSA-N	414.502	3.919	10	20	HHCD	
Cn1nnc2cc(CN3CCCc4cc(CNC(=O)OC(C)(C)C)ccc43)ccc21	768535466	XGVRBGPHTSUADD-UHFFFAOYSA-N	407.518	3.946	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCOc1cccc(C=O)c1	769289309	DIACIMKTGOLNRS-UHFFFAOYSA-N	406.276	3.785	10	20	HHCD	
C[C@H]1CCC[C@H](C)N(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	769915668	ANTJRTBUBBBLOY-KBPBESRZSA-N	408.545	3.905	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(Cl)ccc3OCCOC)c2)CC1	770143541	NKCZCMDXYAEJAU-UHFFFAOYSA-N	417.937	3.759	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CCCC2)cc1	771962395	HFJOZQINJDGKRO-PKOBYXMFSA-N	416.566	3.874	10	20	HHCD	
COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1	775203114	JXGJYHCPAFPVND-FXAWDEMLSA-N	407.595	3.833	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)CN[C@@H](C)c3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1	775836017	XIIYSOBTQWNCHP-OTWHNJEPSA-N	410.562	3.656	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@@H]3CC=C(c4ccc(F)cc4)CC3)cc2)CC1	779402385	AXCZENQVRDEIPI-JOCHJYFZSA-N	414.546	3.786	10	20	HHCD	
C[C@@H](C1CC1)n1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	779506774	CUGRODOKOMPEMK-OAGGEKHMSA-N	415.513	3.929	10	20	HHCD	
O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc(N2CCCCC2)cc1	781684376	OSYDBCWMBFSSOW-UHFFFAOYSA-N	412.446	3.742	10	20	HHCD	
CC(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1F	782087269	HNDPVOQBTBSZHF-QGZVFWFLSA-N	414.886	3.683	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(C)C)c(OC)c1	784031305	ZPWVIZIQUURQHV-UHFFFAOYSA-N	400.475	3.565	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)cc1	789720742	APKJFDMYURQKCG-SFHVURJKSA-N	403.324	3.861	10	20	HHCD	
O=S1(=O)CCC[C@@H](CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)C1	789908345	PFEIOKHGGHOKNS-FUHWJXTLSA-N	406.573	3.646	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)oc1C	790590077	ISWGHWKZYGIXEM-MHWRWJLKSA-N	405.472	3.958	10	20	HHCD	
Cc1cc(C(=O)N2CCn3cnnc3[C@H]2C)c(C)n1-c1ccc(Br)cc1	791162681	YMQLYDCRBCJQER-CQSZACIVSA-N	414.307	3.665	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cc(Cl)c(Cl)cc1F	799255207	DVUQTLOOPUAYHQ-UHFFFAOYSA-N	408.307	3.826	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCc3nc(C4CC4)no3)cc2Cl)C1	799872658	WVKRMUMIIXQPAF-ZDUSSCGKSA-N	403.914	3.836	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1	804541026	LOMBIRWTGCEISO-QZTJIDSGSA-N	417.600	3.659	10	20	HHCD	
CCn1c(/C=C\c2cn(C(C)C)nn2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21	806570586	DNUCNVWVVOLCBV-YVMONPNESA-N	413.425	3.693	10	20	HHCD	
CCc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl	806678872	AAGHFUBOGWDTRT-QGZVFWFLSA-N	414.937	3.926	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1)c1ccc(N(C)C)cc1	807675583	BVEOYKPPMJUDSA-UONOGXRCSA-N	423.435	3.706	10	20	HHCD	
O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	809686784	KVYZHSAWFPUZEK-XMMPIXPASA-N	421.585	3.627	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)CCCCC2=O	810165372	PXHMOVCVFYYUME-UHFFFAOYSA-N	406.526	3.734	10	20	HHCD	
COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)C2	811868897	YVHAMDXAYIFYQS-GOSISDBHSA-N	421.541	3.850	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1OCCc2sccc21	813868411	GKBSXHGCYXNPTP-MGPLVRAMSA-N	411.321	3.718	10	20	HHCD	
Cc1cc2cc(S(=O)(=O)N3CCOc4cc(N(C)C)ccc43)ccc2nc1Cl	815019314	LOADBHKOVJBSAZ-UHFFFAOYSA-N	417.918	3.850	10	20	HHCD	
CN(c1ccc(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)cc1)C1CCCCC1	864005384	STPDYINVXLSRCW-UHFFFAOYSA-N	418.519	3.623	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@H](C)n2cncn2)sc(C)c1-c1ccc(F)cc1	914448629	MJDILFOAJKLGPZ-NSHDSACASA-N	402.451	3.831	10	20	HHCD	
CCN1CCN(CCCNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1	915266458	BYVNMAJGPTVHEJ-UHFFFAOYSA-N	410.606	3.975	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1	918229557	IRWGIELPZBFFGL-UHFFFAOYSA-N	424.593	3.786	10	20	HHCD	
O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1	918742895	PEMHIWBZYOLSHZ-UHFFFAOYSA-N	412.901	3.996	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c(C)n1-c1ccccn1	919897457	ZOEOIDDBNSAUQM-NRFANRHFSA-N	402.498	3.583	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccc(OC(F)F)cc1	7435578	XCXSPBNKMPCVSI-UHFFFAOYSA-N	407.486	3.953	10	20	HHCD	
C[C@H](NC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1	65452042	SEQFHGOLUKAFNF-KRWDZBQOSA-N	408.502	3.533	10	20	HHCD	
C[C@@H](SCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1	96956944	GLDHKXBKXSGZPR-QGZVFWFLSA-N	424.570	3.852	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccccc3OC3CCCC3)CC2)cc1	108428854	YPSQTZGVWGNMIC-UHFFFAOYSA-N	409.530	3.777	10	20	HHCD	
Cc1sc2nc([C@H](C)N[C@H](C)c3ccc(N4CCOCC4)cc3)[nH]c(=O)c2c1C	140203257	WNZRKXZMGDSOAQ-CABCVRRESA-N	412.559	3.850	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	302831963	DRZBHCKBLZRRGX-QGZVFWFLSA-N	404.894	3.674	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)NC3(c4ccccc4)CCC3)CC2)cc1	303107975	ARQMIVDMJCGHHN-UHFFFAOYSA-N	422.573	3.586	10	20	HHCD	
O=S(=O)(Nc1cc(F)c(Br)cc1F)c1cccc2nsnc12	389248936	MJOSYMOONNMTNP-UHFFFAOYSA-N	406.233	3.533	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(F)cc1OC1CCOCC1	488700892	VZRDARSBBXNLQZ-UHFFFAOYSA-N	415.465	3.880	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)cc1	726801429	IPGUXUNDCTXFCF-UYRXBGFRSA-N	413.520	3.910	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(-n4cccc4)c3)cc2)C1	731541269	XRBMDTRGRHTSBD-IBGZPJMESA-N	417.513	3.501	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1	732241692	ONYVYPQQLLUQRU-LJQANCHMSA-N	414.937	3.791	10	20	HHCD	
CCOc1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1Cl	732733795	NALMKBVTEPANBS-KBPBESRZSA-N	421.900	3.816	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(Oc2ccncc2)c1	732953263	DXGXCFRPWRZTPN-UHFFFAOYSA-N	403.482	3.983	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)C(C)(C)CO)sc(C)c1-c1ccccc1	736311279	HVHZGHRZLPTDFD-UHFFFAOYSA-N	404.532	3.541	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)c3c(F)cccc3F)cc2)CC1	740915817	UAFJIBRUORREHT-HXUWFJFHSA-N	403.473	3.734	10	20	HHCD	
O=[N+]([O-])c1ccc(NC(=S)NNc2c(F)cc(F)cc2Br)cc1	741862968	QAPJTZVYYREREV-UHFFFAOYSA-N	403.208	3.949	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1	746405623	GWJVAOZRBQVSDW-UHFFFAOYSA-N	424.726	3.732	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)c1O	749116518	BEZQQSBGGOHMRK-UHFFFAOYSA-N	407.426	3.614	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCN(c2ccccn2)C1	753467340	HDTXDQZUWKNYLH-HXUWFJFHSA-N	414.469	3.831	10	20	HHCD	
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl	755983350	DXDFMXYFPIJOLX-UHFFFAOYSA-N	417.936	3.682	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	756078447	ZWPUXWOWDHXMHC-CVDCTZTESA-N	420.557	3.729	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1ccc(F)cc1)c1cc(Br)cc(F)c1O	756709624	XQFWDIGPMSBADW-LLVKDONJSA-N	413.262	3.904	10	20	HHCD	
COc1cc(N2CCN(CCOc3cccc(Cl)c3)CC2)cc(OC)c1OC	759873264	TXNCKKJVWSTWQH-UHFFFAOYSA-N	406.910	3.567	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	760080049	NOSFKJPPSMTOQI-QGZVFWFLSA-N	411.493	3.603	10	20	HHCD	
C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	762264482	ZUXXZULLIKUUKK-QRWLVFNGSA-N	414.502	3.659	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2cccnc2OCC(F)F)C2CC2)cc1	764512530	BSTVPQXUYSZCKJ-UHFFFAOYSA-N	404.461	3.666	10	20	HHCD	
Cc1ccc(Nc2cccc(C(=O)NCc3cccc(Br)c3O)c2)nn1	765736605	PNHMQWLLPNQPSN-UHFFFAOYSA-N	413.275	3.927	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c(C)n1-c1cccc(F)c1	766953692	OGVHYFPXYUVRLE-NFBKMPQASA-N	424.520	3.738	10	20	HHCD	
COc1ccc(C(=O)N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)c(OC)c1	768921691	CMFJYJHSQHLYKZ-UHFFFAOYSA-N	423.557	3.652	10	20	HHCD	
Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C(C)(C)C)n1	768949512	WKANMUIPTDKBQO-AWEZNQCLSA-N	406.477	3.718	10	20	HHCD	
CCCC[C@H](CC)Cc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1	771066889	LQSOIEGUFSTSGA-SFHVURJKSA-N	414.550	3.728	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(F)ccc1Br	771934901	GVPIANCBQBXDPL-UHFFFAOYSA-N	415.328	3.865	10	20	HHCD	
C[C@H](NCCc1nc2c(F)cccc2n1C)c1ccc(N2CCOCC2)c(F)c1	772986269	TXOJLBFQSFCQAS-HNNXBMFYSA-N	400.473	3.581	10	20	HHCD	
COc1ccc([C@@H](NC(=O)N2CCN(c3ccc(OC)cc3)CC2)C(F)(F)F)cc1	776000018	WMPKVAUCVGIHAE-LJQANCHMSA-N	423.435	3.839	10	20	HHCD	
C[C@H](NC(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	776243140	CFQOKFZUQYZZES-YWZLYKJASA-N	414.937	3.914	10	20	HHCD	
CC(C)(C)OC(=O)c1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1	776258374	WUJAWYCIWKVFFQ-UHFFFAOYSA-N	400.494	3.907	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)cc1	776967404	IJPBQDHOJJPKLE-VXKWHMMOSA-N	420.557	3.730	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	777972210	PKYRTACBHVHJHP-ZDUSSCGKSA-N	408.468	3.865	10	20	HHCD	
C[C@H](C1CC1)n1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1	778579193	CVNFMXGZHXHCBC-QGZVFWFLSA-N	423.561	3.878	10	20	HHCD	
COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(C)c(O)c2O)c1	780995102	IJAGVKKJRSOFAU-OAQYLSRUSA-N	407.466	3.791	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCN3c3ccccc3)cc2F)C[C@@H](C)O1	782677116	QYWXABHHVBSVPW-PMAPCBKXSA-N	411.521	3.725	10	20	HHCD	
COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cccs2)cs1	786874758	YQQOWZGAMUKWJA-UHFFFAOYSA-N	414.505	3.837	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1	790418639	YVNVBPDTJJLUKE-ZDUSSCGKSA-N	411.907	3.824	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1	790926793	OMDWULHOVWBUBC-UHFFFAOYSA-N	410.562	3.533	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(O)c1	794373903	OKXCLWVDHWHTOS-GASCZTMLSA-N	413.474	3.721	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(CCc1ccccn1)Cc1cccnc1	797460896	VSOXHCZMTNLWER-UHFFFAOYSA-N	403.530	3.806	10	20	HHCD	
CCOCCOCc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C	797632367	BNLSXJXKCHDAPK-OAHLLOKOSA-N	402.491	3.712	10	20	HHCD	
C[C@@H](NC(=O)NC(C)(C)COCc1ccccc1)c1ccc(N2CCOCC2)cc1	798387576	JAZIRNPBTJEXHZ-LJQANCHMSA-N	411.546	3.879	10	20	HHCD	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	798388176	PYXMRGXRBIQIRF-JGOTUQMDSA-N	415.578	3.555	10	20	HHCD	
CC(C)[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)N1CCCC1=O	800049826	WXNJYMSWMOFEKV-KKSFZXQISA-N	405.970	3.840	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3C)CC2)cc1F	800771140	HGIUQSLWCAQLKQ-UHFFFAOYSA-N	401.873	3.610	10	20	HHCD	
C[C@H](Cc1cncc2ccccc12)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	806325231	ONEPVUGCUUDADU-LJQANCHMSA-N	403.526	3.909	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3nccnc3c2Br)c1	806674424	ACPUHIRGOYAFOT-SNVBAGLBSA-N	417.263	3.989	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)[C@@H](C)c1ccccc1	806870988	QUXNVGNGUWXCDI-MSOLQXFVSA-N	406.482	3.822	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCCN(C2CCCCC2)C1=O	807160957	XUBNHBAZJFWJHW-INIZCTEOSA-N	414.333	3.822	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1nc(-c2ccco2)cs1	807512817	KRIGCRQALOFMIA-UHFFFAOYSA-N	412.254	3.670	10	20	HHCD	
CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	807702437	VMHPCAMEUZTCDK-WOJBJXKFSA-N	405.608	3.670	10	20	HHCD	
C[C@@H](O)c1ncc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1	809631261	SPXVKZAGYXPMHB-KDOFPFPSSA-N	420.579	3.618	10	20	HHCD	
CCOC(=O)c1ccn(-c2cccc(CNCc3cc(Cl)cc(F)c3O)c2)n1	809762583	TXAUPRNTCSFLKA-UHFFFAOYSA-N	403.841	3.837	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c(C)n1-c1ccccn1	811564260	AUZSBKCMAKXNMW-XMMPIXPASA-N	407.489	3.696	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@]2(CCc3ccccc3O2)C1	811864790	LPHXKJYCZRFBJC-XMMPIXPASA-N	423.582	3.919	10	20	HHCD	
COC(=O)c1cc(Br)cc(C(=O)NCCCSc2nccs2)c1	812508673	FWZCKYDEPVDVKF-UHFFFAOYSA-N	415.334	3.604	10	20	HHCD	
CCc1nc(C)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)o1	814514252	FJXGKNRDLHRFQG-UHFFFAOYSA-N	424.453	3.764	10	20	HHCD	
Cc1cc(C(=O)NCCCc2nnc(S)n2C)c(C)n1-c1ccc(C(C)C)cc1	818199147	RJTVQTIFUKQCCM-UHFFFAOYSA-N	411.575	3.997	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N(C)C)cc1	839971336	VYCPZSTWLWCGPV-OAQYLSRUSA-N	408.571	3.594	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)CCCNC(=O)C3CC3)c2C)c1	915423818	JXDYDUPVCUELCW-UHFFFAOYSA-N	410.514	3.743	10	20	HHCD	
CCOc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)ccc1OC	918310434	MCNRTKWRVWVEKK-UHFFFAOYSA-N	413.518	3.537	10	20	HHCD	
Cc1cc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c(C)n1-c1ccc(F)cc1	918620262	RLLGOJZUEVRXQG-JOCHJYFZSA-N	405.473	3.937	10	20	HHCD	
COc1ccc(Cl)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	920786340	JPUKIEQYQRYUSF-UHFFFAOYSA-N	401.894	3.544	10	20	HHCD	
CCOc1ccc(N2CCN(CC(=O)Nc3nc(-c4ccco4)cs3)CC2)cc1	1319715960	ZCXSBZDNGKCHPV-UHFFFAOYSA-N	412.515	3.563	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)NCC(F)(F)F)c1cc(Br)cc(Cl)c1O	1321027237	KDSIHNFQKMCZEY-NKWVEPMBSA-N	403.626	3.526	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)n1-c1cccc(F)c1	3461125	VWNADFAZWXDQHR-UHFFFAOYSA-N	421.384	3.620	10	20	HHCD	
COc1ccc(CN2C(=O)/C(=C\c3cc4c(cc3OC)OCO4)SC2=S)cc1	6645120	WKDHKAHFJDVCOC-QGMBQPNBSA-N	415.492	3.834	10	20	HHCD	
C[C@H](NC(=O)NCCc1c[nH]c2cc(F)ccc12)c1ccc(N2CCOCC2)cc1	51298377	IIHWGRPDIDURGU-INIZCTEOSA-N	410.493	3.747	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC(C(=O)Nc4nncs4)CC3)c2C)c1	302949658	DKGJEXIEUSAVAE-UHFFFAOYSA-N	423.542	3.745	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(OCc2ccccc2)cc1	437341477	MNLHSHIGTYUDPL-UHFFFAOYSA-N	424.522	3.919	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3nc4cccc(C(=O)OC)c4[nH]3)ccc21	494096411	KIBYIQDYAZUSCW-UHFFFAOYSA-N	420.469	3.820	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCc2ccn(-c3ccccc3)n2)C2CC2)cc1	726252325	GDJBUBFDTAELFH-UHFFFAOYSA-N	403.530	3.855	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)CC2)cc1	726560854	SULMIMJLSBFSLQ-UHFFFAOYSA-N	413.518	3.604	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	727708056	JDAOTLGEBBDQGY-VXGBXAGGSA-N	423.391	3.556	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	728755000	VEQMODTUNINKTF-QHCPKHFHSA-N	408.590	3.849	10	20	HHCD	
CC(C)[C@@H](CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCC1	729611443	KJOXRDFDQUPIEA-HXUWFJFHSA-N	424.536	3.676	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCNC(=O)c3ccc(C)cc3)c2C)cc1	732130623	WIUYJRWJXDYFJS-UHFFFAOYSA-N	405.498	3.571	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)n1	735518259	RQWWFQVOXYLTEV-QHCPKHFHSA-N	419.525	3.945	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1	739084041	CTEJMFRZZVBTID-UHFFFAOYSA-N	423.435	3.565	10	20	HHCD	
O=C(Nc1cccc(N2CCCNC2=O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	743221823	ZWROGNDWFIJVLO-FQEVSTJZSA-N	424.501	3.525	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C	743666792	RAGWRESBNBBRND-ICSRJNTNSA-N	418.582	3.944	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)c1	743706357	ZMNWPQZLTFUUCI-NWDGAFQWSA-N	400.410	3.711	10	20	HHCD	
CN(C)C(=O)c1cccc(CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	745847837	UNDNDGBDKPWYNH-UHFFFAOYSA-N	422.573	3.763	10	20	HHCD	
COCCN(CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(OC)c(OC)c1	746474878	NVPRBFAFGXLTOL-INIZCTEOSA-N	404.482	3.515	10	20	HHCD	
COCCN(CC(=O)N[C@H](C)c1ccccc1Cl)c1ccc(OC)c(OC)c1	746477783	FNENSLYDJXLNFA-OAHLLOKOSA-N	406.910	3.687	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc2c(c1)C(=O)CCC2	750627949	WPLQWNFAYACBGB-UHFFFAOYSA-N	411.477	3.628	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C2	750874314	ISHJQLVUHNEQRR-REWPJTCUSA-N	424.541	3.520	10	20	HHCD	
CCS[C@H](C)c1noc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1	751936503	ITRXXFPBQVDTHW-LLVKDONJSA-N	404.517	3.870	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	752221411	BBEUHLNKTFHCEC-CZUORRHYSA-N	422.476	3.965	10	20	HHCD	
CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C1(CC)CC	752918817	ZWNZHMSSYHSYBE-SFTDATJTSA-N	403.567	3.648	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccc(Cn4nc(C)cc4C)c3)CC2)cc1F	753729652	DKOULJBQLWTRCY-UHFFFAOYSA-N	422.504	3.658	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCCCN(C)c3ccccc3)CC2)cc1F	753861465	LSOFSPAPCPVAIE-UHFFFAOYSA-N	414.525	3.583	10	20	HHCD	
CCCOC(=O)c1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753878172	XXHJZNRUVGCWAL-UHFFFAOYSA-N	415.465	3.755	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)oc1C	753978695	UDCNLCUJQJMOHB-UHFFFAOYSA-N	410.448	3.746	10	20	HHCD	
C[C@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1O	756784302	MALIHBWLKVTJDV-HOCLYGCPSA-N	403.320	3.854	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(Br)c(F)cc2O)cc1	756876216	YRKZWCHGLCBSBK-NSHDSACASA-N	416.312	3.938	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2c(Cl)cccc21	757177672	MNLHRXNGHZKPDF-UHFFFAOYSA-N	403.885	3.713	10	20	HHCD	
O=C1C[C@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1	758615670	ASHTZFHVXWFCQN-OAQYLSRUSA-N	422.529	3.723	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)CCN1Cc1ccccc1	759585205	QJVDJUHWLLMRKF-SJLPKXTDSA-N	404.605	3.978	10	20	HHCD	
O=C(Nc1ccccc1O[C@@H]1CCOC1)N(Cc1ccccc1O)C[C@H]1CCCO1	760062192	ODGRQIJHSWLIDC-RTBURBONSA-N	412.486	3.773	10	20	HHCD	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761983510	SNTKILLHBOQFMG-NIJIEXERSA-N	416.949	3.681	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@H]1CN(Cc2ccccc2)CCO1	765077408	CAHNYMSADAKBFU-HYBUGGRVSA-N	411.615	3.619	10	20	HHCD	
COc1ccc2c(c1)CCCN2Cn1nc(Br)c(=O)c2ccccc21	766343088	ZJEWKYJBOZYNBZ-UHFFFAOYSA-N	400.276	3.578	10	20	HHCD	
CCOc1cccc(CN2CCN(Cc3ccc(Br)s3)CC2)c1O	768194025	XOKGHFOXFXYXII-UHFFFAOYSA-N	411.365	3.933	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1-n1cccn1	768911167	CUOSFJFKWZAXFO-GOSISDBHSA-N	410.905	3.626	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)c1	768911202	PRSVWUXQVKUUJE-IAGOWNOFSA-N	411.502	3.831	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2ccc(N(C)C)c(F)c2)C(C)C)cc1	769354016	ZBEZFEHOVYGHHS-HXUWFJFHSA-N	417.525	3.500	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2C)cc1	770431924	VXADMWHMFZUGLZ-LJQANCHMSA-N	417.509	3.917	10	20	HHCD	
CN1CCN(c2ccc(CNC3(c4ccc(Br)cc4)CC3)cc2)CC1	771828487	XKLHYCKUYYBURK-UHFFFAOYSA-N	400.364	3.980	10	20	HHCD	
Cc1ccc2ncc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)n2c1	771943352	LBYHDACVMIREGK-UHFFFAOYSA-N	404.436	3.788	10	20	HHCD	
COCC(=O)Nc1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	777549420	QGKKEEZUIMXVDV-OAHLLOKOSA-N	403.910	3.935	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21	779534197	MGVVYTYTKIURJQ-PUHSMXRQSA-N	415.489	3.974	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnc(Br)c(C)c3)CC2)cc1	783106946	MLXGLBRTMSYTCD-UHFFFAOYSA-N	405.296	3.515	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(OCC(F)F)cc1	784290951	VDEZOWRYYFMQNZ-UHFFFAOYSA-N	410.486	3.799	10	20	HHCD	
C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2O)[C@@H]([C@@H](C)O)C1	785989150	SMVQUECJNRNICG-GPCCPHFNSA-N	407.146	3.899	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCC1(c2ccc(F)cc2)CCCC1	788932960	SJMKDXCAFHJXNU-UHFFFAOYSA-N	423.532	3.670	10	20	HHCD	
CN(Cc1ccccc1C(F)(F)F)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788938312	RAQTUBSCVDRKPQ-UHFFFAOYSA-N	419.447	3.580	10	20	HHCD	
Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2ccoc2)n1	789960800	FYGLTHWJNYKUJM-HNNXBMFYSA-N	416.428	3.680	10	20	HHCD	
Cc1cc(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)c(C)n1-c1ccccc1Br	791174569	WTDUICIYYSGVDB-ZIAGYGMSSA-N	423.376	3.838	10	20	HHCD	
CCNc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	792250571	VKTUCRBFXGZPPQ-UHFFFAOYSA-N	405.901	3.802	10	20	HHCD	
CN(C)c1ccc(CNCC(=O)Nc2ccc(F)c(F)c2F)c(C(F)(F)F)c1	793044049	SFYOVIGRWCCPFJ-UHFFFAOYSA-N	405.342	3.917	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	798335896	VRTKZXLOSAHMRW-GOSISDBHSA-N	414.458	3.586	10	20	HHCD	
Cc1noc2ncnc(NC[C@@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)c12	799960777	OTOBMMZJTRJOPJ-MRXNPFEDSA-N	412.494	3.670	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1	800762387	IBXNTSIKRQQMMU-OAQYLSRUSA-N	405.498	3.917	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1c(F)cccc1OC(F)(F)F	804948712	GMJHDQVKLSHUHW-UHFFFAOYSA-N	418.412	3.803	10	20	HHCD	
CC[C@H](NCc1ccc(OCC(N)=O)c(OC)c1)c1cc(Cl)cc(Cl)c1O	806134641	MGRHZIZUEUYRPL-HNNXBMFYSA-N	413.301	3.813	10	20	HHCD	
CN(CCc1nc(-c2ccccc2)no1)C(=O)NCc1ccc2c(c1)CCCN2C	806635073	NZJPBUTTXVMBIG-UHFFFAOYSA-N	405.502	3.503	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2nc(C3CC3)ncc2Br)C2CC2)cc1	813804295	IHRKVLZBVUOUKV-UHFFFAOYSA-N	415.335	3.987	10	20	HHCD	
Nc1c(F)cc(Cl)cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857472931	PSORGTJOSKLFQD-CQSZACIVSA-N	412.292	3.815	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	916025944	RMXBOKKYWNUDMS-DEYYWGMASA-N	413.509	3.695	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(N4CCCCCC4)nc3)CC2)cc1	917822202	OHZWGQNWSDCNDN-UHFFFAOYSA-N	408.546	3.823	10	20	HHCD	
Cc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)ccc1N1CCN(C)CC1	1116148699	OBZIUXQVMUOHRQ-UHFFFAOYSA-N	408.546	3.653	10	20	HHCD	
c1csc(-c2noc(CN3CCN(Cc4ccc(N5CCCC5)cc4)CC3)n2)c1	1319692056	WXSWMTISPYNPGP-UHFFFAOYSA-N	409.559	3.716	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@H]3c3nc4ccccc4n3C)cc2F)CC1	1319694992	DWXCXYLGUYKQCB-QHCPKHFHSA-N	407.537	3.801	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cn(C)cc3C(F)(F)F)cc2F)C[C@@H](C)O1	1320852065	UPYLKZAEEILHBQ-BETUJISGSA-N	413.415	3.727	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NS(=O)(=O)CCC(F)(F)F)c1	1321098323	YTNORTGPUOEATB-UHFFFAOYSA-N	408.829	3.760	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)oc1ccccc12	1321860853	GGGZKIBUBSLWNE-SFHVURJKSA-N	419.433	3.901	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)c2ncnc(NCc3ccc(N4CCOCC4)c(F)c3)c2c1	1325490411	YXCYOCFKVJIHEU-UHFFFAOYSA-N	417.828	3.779	10	20	HHCD	
CC(=O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1841512774	PXMOXXIYKDKEIG-UHFFFAOYSA-N	421.541	3.526	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1	106056445	LQZFYBVGXWOCEY-QFIPXVFZSA-N	407.558	3.582	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc4[nH]c(C(F)F)nc4c3)CC2)cc1	111138053	ITRCZSLKDTUTBG-UHFFFAOYSA-N	400.429	3.862	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1	250590549	WZQRWECBTLQWEA-DHLKQENFSA-N	410.558	3.662	10	20	HHCD	
CCN1CCc2nc(NC(=O)c3ccc4c(c3)c(C)c(C)n4CCOC)sc2C1	409706569	GALULDJVYMDISQ-UHFFFAOYSA-N	412.559	3.991	10	20	HHCD	
C[C@@H](Oc1ccccc1Br)C(=O)N1CCOc2cc(N(C)C)ccc21	437018894	ANCZZLSDNIVAKB-CYBMUJFWSA-N	405.292	3.708	10	20	HHCD	
Oc1c(Br)cccc1CNC[C@H](O)c1ccc(OC(F)(F)F)cc1	725849993	BIOSJJJNGKRZRF-AWEZNQCLSA-N	406.198	3.877	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)Cn3cnc4c(N(C)C)ncnc43)c2C)c1	731567617	XUUCOYFXYCYKFF-UHFFFAOYSA-N	420.542	3.905	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)c1	734016304	PTHAOFYIZQRCMT-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	734703361	NKVYWJBDUODGRR-UHFFFAOYSA-N	413.827	3.988	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1	740843599	VKOAYUBELRAXMR-UHFFFAOYSA-N	402.541	3.831	10	20	HHCD	
Cc1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1NS(C)(=O)=O	740848739	ZXDMLDZHAZQQBJ-UHFFFAOYSA-N	401.532	3.999	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3OCC3CC3)cc2)CC1	741095954	PBFPFEGFGHHHMO-UHFFFAOYSA-N	421.541	3.967	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1F	741279581	SAGXIYNRKGYXIJ-SFHVURJKSA-N	411.880	3.997	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C(C)(C)C)cc1	742028470	NNLHRAXOFCWVPQ-UHFFFAOYSA-N	410.561	3.937	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](C[S@@](C)=O)c3ccccc3)c2C)cc1	742197987	CFZGLGJWBZGLIB-KPURRNSFSA-N	410.539	3.952	10	20	HHCD	
O=C(Nc1cnc(C2CC2)nc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743139248	GZSNVECTMIRMAI-CQSZACIVSA-N	403.433	3.746	10	20	HHCD	
COC(=O)[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1	743485728	TXBNBNMFDAAXKD-QFBILLFUSA-N	408.420	3.900	10	20	HHCD	
CN(C[C@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)OC(C)(C)C	743623609	JLVICSRQZRGZOX-HXUWFJFHSA-N	414.550	3.604	10	20	HHCD	
Cc1csc([C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)n1	745647070	IMAQEHYMGNDLAN-IBGZPJMESA-N	418.538	3.502	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)ccc21	746984173	ACNUVPUOAZZAIA-NRFANRHFSA-N	407.493	3.530	10	20	HHCD	
CC(C)C[C@@H]1CCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	748807385	OIFXDJJJEOZNSY-NSHGMRRFSA-N	405.558	3.566	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CC[S@@](C)=O)c(C)n1-c1ccc(Br)cc1	749188798	MVSNMINZFMPUJY-FNODVLLQSA-N	411.365	3.744	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)o1	751137681	UNXDTNJWVWQRQJ-UHFFFAOYSA-N	407.488	3.686	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1	753637996	ZVQUAGIPHBBCCW-INIZCTEOSA-N	414.465	3.707	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1O	753925643	LUQHGNBRZMQZMK-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
COc1ccc(N2CCN(Cn3nc(-c4ccccc4)n(C)c3=S)CC2)cc1F	754010669	BRXZOFBLEGHVRI-UHFFFAOYSA-N	413.522	3.545	10	20	HHCD	
C[C@@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1cc2c(cc1O)CCCC2	756434977	SFDGQCYZWFTHNX-QGZVFWFLSA-N	408.542	3.822	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O	759583205	INUJPXPPGWCBFS-CQSZACIVSA-N	424.979	3.774	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccc(Cl)cc1I	761722846	KGRMAVPNMHLVAN-UHFFFAOYSA-N	402.619	3.972	10	20	HHCD	
CCn1c(CCNC(=O)NCc2cccc(Br)c2O)nc2ccccc21	764766345	ILJSHEPJTRISFL-UHFFFAOYSA-N	417.307	3.566	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl	765401493	FHHLMNMIEFHCBJ-GOSISDBHSA-N	415.965	3.876	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3cccc(NC(=O)C4CC4)c3)c2)CC1	767383338	LPBIDMSUHQPSKR-UHFFFAOYSA-N	406.530	3.818	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)cc2)CC1	768527323	WRCLXVWFLXUCND-UGKGYDQZSA-N	403.592	3.777	10	20	HHCD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1	769494068	WHUKMVJBJPEZFA-NJDAHSKKSA-N	414.594	3.792	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	770710726	KFXHXHFNVRDYHL-QGZVFWFLSA-N	410.514	3.970	10	20	HHCD	
O=C(NCCc1ccc(OCC(F)(F)F)nc1)NCc1ccc(N2CCCC2)cc1	773232741	VIGFVXURTQWJAC-UHFFFAOYSA-N	422.451	3.665	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1scnc1Br	775613139	JRXLEQJSEUTFNO-UHFFFAOYSA-N	400.261	3.868	10	20	HHCD	
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775665060	WALARRHJUIMABI-UHFFFAOYSA-N	401.240	3.935	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(F)c(OC)cc3C)cc2F)CC1	775897860	OFUQEJXZCRYZFS-UHFFFAOYSA-N	418.488	3.745	10	20	HHCD	
COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cc2)CC1	776302088	GLWWNJIQGRQARW-UHFFFAOYSA-N	420.537	3.877	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@@H](O)[C@H](C)C2)sc(C)c1-c1ccccc1	778255691	SFWXRFDKXBHKBE-RHSMWYFYSA-N	416.543	3.541	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1O	779025935	GBWIHTNTWYLXPJ-IIBYNOLFSA-N	419.363	3.751	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@H]3CCCN(C4CCC4)C3)CC2)cc1	781401859	MWBDWULEYRCXCY-UXHICEINSA-N	414.594	3.570	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc(Br)n3)CC2)cc1	786149362	IEYZSKRJKDPJLC-UHFFFAOYSA-N	405.296	3.643	10	20	HHCD	
COc1cccc(O)c1CN(C)Cc1cccc(Br)c1OCC(C)(C)O	786578188	CBSWQKDJXOAYAK-UHFFFAOYSA-N	424.335	3.945	10	20	HHCD	
COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	788986856	GLRSJOGCYUWKFW-FDDCHVKYSA-N	407.558	3.909	10	20	HHCD	
CCCCOc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(O)c1	789803867	XWHOLEJQWHWLMU-UHFFFAOYSA-N	416.493	3.601	10	20	HHCD	
O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1cccc(O)c1O	789854494	BWYXJFWUSWPCPO-KRWDZBQOSA-N	413.271	3.969	10	20	HHCD	
O=S1(=O)CCC[C@H](CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)C1	789908339	PFEIOKHGGHOKNS-AEFFLSMTSA-N	406.573	3.646	10	20	HHCD	
Cc1cc(Br)cc(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1O	797605223	KCOXOILETPNUCK-HNNXBMFYSA-N	403.320	3.948	10	20	HHCD	
Cc1nc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)sc1C	800636997	RZLKBKIRAGIYFZ-GFCCVEGCSA-N	420.966	3.905	10	20	HHCD	
Cc1cc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2C)c(C)n1-c1ccccc1	800727841	QRYDUTQLAYAFNT-FQEVSTJZSA-N	409.534	3.520	10	20	HHCD	
C[C@H](c1cccnc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803676235	BSVQRJGAUFNEBW-GOSISDBHSA-N	408.546	3.686	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H](c1ccccc1)N(C)C	806440233	NUDPIKVNEMEIBI-XMSQKQJNSA-N	412.603	3.730	10	20	HHCD	
C[C@@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1	806962247	CNYDSOKTUUPYIK-QUCCMNQESA-N	411.546	3.959	10	20	HHCD	
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NCc1ccc(N(C)C)cc1C	807094803	BBNGEDLREHQOJU-UHFFFAOYSA-N	421.463	3.745	10	20	HHCD	
CC[C@H](C)N[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccco1	807442893	RHVAIQHNPURQGE-IHPCNDPISA-N	415.534	3.805	10	20	HHCD	
CCS[C@H]1CCCC[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	807702435	VMHPCAMEUZTCDK-UXHICEINSA-N	405.608	3.670	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-c2ccncc2)cc1	807767752	SLUOZYYMWMUFIJ-SFHVURJKSA-N	416.525	3.650	10	20	HHCD	
CCN(C)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)cc1	815114020	LWDCLIYDVRKKPQ-HXUWFJFHSA-N	413.566	3.670	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC2(CC1)OCCCO2	816645300	PNMNLMVGCXAIOT-UHFFFAOYSA-N	421.129	3.646	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(NC(C)=O)cc2F)n1	915222622	NUOKLTIDOWOCEQ-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCOc4ccccc4C3)cc2F)C[C@H](C)O1	918080993	JMSLKASRIAEBMP-IRXDYDNUSA-N	413.493	3.544	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)c(Cl)cc1OC	918304746	XNUNPSBDEQWAKY-UHFFFAOYSA-N	403.910	3.710	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2nc(Cc3ccccc3)no2)cc1	921119166	BJRJHIZHRSGVKJ-UHFFFAOYSA-N	407.518	3.848	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCC1CCN(S(=O)(=O)c2ccccc2)CC1	1320132565	YYNNJNMFEGNIPO-PXNSSMCTSA-N	414.571	3.939	10	20	HHCD	
CSCC[C@H](NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)C(=O)N(C)C	1323818869	BDFFHGOHXYXPID-SFHVURJKSA-N	407.967	3.687	10	20	HHCD	
CN1CCN(c2ccc(CNCc3cc(Cl)c4c(c3)OCCCO4)cc2F)CC1	1338752312	WXSMVHDTVHMPIW-UHFFFAOYSA-N	419.928	3.682	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1	27960300	YJBWAVLNUSVSBE-OAQYLSRUSA-N	410.514	3.829	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(CN3CCOCC3)c2)c(C)n1-c1ccc(F)cc1	108027890	KPMLDFRITZZBHZ-UHFFFAOYSA-N	421.516	3.995	10	20	HHCD	
COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC(F)F	145695645	LJPMMVQBIZNGGR-AWEZNQCLSA-N	406.429	3.624	10	20	HHCD	
CCO[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1	195655281	NZIBUTCZYPWKQD-HXUWFJFHSA-N	422.447	3.936	10	20	HHCD	
C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NCc1ccc(N(C)C)cc1	726189104	QJRWMIRQPSTKCW-SFHVURJKSA-N	423.561	3.569	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@H]2CCS(=O)(=O)C2)sc(C)c1-c1ccc(C)cc1	728082533	YLQWDRIJKYUPIV-HNNXBMFYSA-N	421.540	3.582	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1	729512217	DKYKCRTWGNOSCL-UHFFFAOYSA-N	423.903	3.793	10	20	HHCD	
COc1cccc(CNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c1O	729859210	MICIUFBJAYERCX-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C3(c4ccc(F)cc4)CCC3)cc2F)CC1	730193888	GDERKDXWGSYSRS-UHFFFAOYSA-N	413.512	3.845	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)cc1	731976399	XQQZIAIPYJVCOQ-UHFFFAOYSA-N	406.523	3.784	10	20	HHCD	
CCCn1c(/C(Cl)=C\c2cnn(CC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	732530189	KAPGNNFOKLJBGU-MHWRWJLKSA-N	421.954	3.650	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1(c2ccc(Cl)cc2)CC1	732701681	NRDUGGGPGAIJNB-UHFFFAOYSA-N	403.885	3.804	10	20	HHCD	
CSc1ccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1	732861139	UOSABRAZEGSPAC-UHFFFAOYSA-N	421.430	3.572	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1	734072495	CRINESZKDYUGIU-UHFFFAOYSA-N	403.649	3.616	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)s1	734687521	GKFVAUWDPBOPRW-UHFFFAOYSA-N	414.575	3.535	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1	734740141	KVQSIWOLKUOTOZ-UHFFFAOYSA-N	418.544	3.940	10	20	HHCD	
O=C([C@H]1COc2ccc(Cl)cc2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517076	HDUWMCXMKLQCLV-MJGOQNOKSA-N	401.890	3.805	10	20	HHCD	
CC(C)c1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)on1	743613633	HSWIQEPCQSLIFM-CQSZACIVSA-N	408.449	3.868	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@H](COCc4ccccc4)C3)CC2)cc1	745794928	AAOMPMDQYJEIPY-NRFANRHFSA-N	423.557	3.912	10	20	HHCD	
CCNC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	746280035	ATBAJUBWLKIEEV-UHFFFAOYSA-N	420.351	3.749	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C(N)=O)s3)c2C)cc1C	748969203	UBGOFKWPDBPCSV-UHFFFAOYSA-N	410.495	3.911	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)Nc3cccc(C)c3)CC2)c1O	750044507	YJZDFPZZOZMKNR-UHFFFAOYSA-N	401.894	3.906	10	20	HHCD	
O=c1ccc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)ccc2[nH]1	751126195	GHCPNFOCTUQFKS-UHFFFAOYSA-N	419.434	3.731	10	20	HHCD	
COc1ccc(N2C(=O)C3(CCCC3)N[C@@H]2c2ccc3c(c2)CCN3C)cc1OC	751524366	LIDVBOBUAXOEPO-QFIPXVFZSA-N	407.514	3.644	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	752151615	ZBZTUMSLXTZTPX-JOCHJYFZSA-N	419.525	3.945	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(-c4nccn4C)c3)CC2)cc1F	753886762	ZHGNXYOODBZDIC-UHFFFAOYSA-N	409.465	3.589	10	20	HHCD	
COc1ccc(N(C)CC(=O)NCc2cccc(COCc3ccco3)c2)cc1F	757851064	BRXWOYSILDPACA-UHFFFAOYSA-N	412.461	3.897	10	20	HHCD	
COc1cc(N2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)cc(OC)c1OC	759240544	UKLSUIVTYWQQSH-UHFFFAOYSA-N	404.551	3.968	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)c2cccs2)cc1	759588860	OYGCDOGTWGAHER-GULCCPCXSA-N	423.490	3.930	10	20	HHCD	
C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CC[C@@H](C(F)(F)F)C1	761043111	UTPNCFMSXJMYDS-CHWSQXEVSA-N	416.399	3.673	10	20	HHCD	
O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(Cc2ccon2)no1	762100609	FYQWLDZBEFUEKB-RAXLEYEMSA-N	418.525	3.544	10	20	HHCD	
O=C(N[C@H]1COc2ccc(Cl)cc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	762359727	YIPFUYYLXUAJFF-WMZOPIPTSA-N	402.878	3.870	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2F)C[C@@H](C)O1	764205516	WDQSPDUXEVIFHZ-BETUJISGSA-N	421.856	3.931	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC[C@H](C2CC2)C1	764561900	OVKDTWKGILINBT-HNDQUVLASA-N	406.598	3.988	10	20	HHCD	
COc1ccc(N2CCC(NCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1	766399345	WDTXAHVQLIDLMN-UHFFFAOYSA-N	421.585	3.735	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(N2CCOCC2)cc1Cl	766564210	SEZSMKUQOALCEN-HOTGVXAUSA-N	404.917	3.640	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@]1(C)CCO[C@H]1C1CC1	768528903	LUXGLWXJTVEELK-HKUYNNGSSA-N	411.340	3.891	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccccc2O)(c2ccccc2)CC1	769362861	KXCLOIVKWDGMAQ-UHFFFAOYSA-N	410.514	3.977	10	20	HHCD	
Cc1cc(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(Cl)c1	769732564	ZIWQCGDWMLTCRY-SFHVURJKSA-N	408.951	3.787	10	20	HHCD	
O=C(NCCc1ccc(F)cc1)[C@H]1Cc2ccccc2CN1Cc1ccccc1O	770509187	JNWWSRRVCGMUFN-HSZRJFAPSA-N	404.485	3.817	10	20	HHCD	
CCC[C@@]1(CO)CCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	770703194	ZZIXKXWZHLXIMM-IERDGZPVSA-N	411.493	3.593	10	20	HHCD	
CCOc1ccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c([N+](=O)[O-])c1	771791665	QKZNKSKZYHLSDW-UHFFFAOYSA-N	414.506	3.909	10	20	HHCD	
Cc1ccc(OCCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Br)c1	773739094	ASFHWKIHCWPGOE-CYBMUJFWSA-N	408.292	3.685	10	20	HHCD	
Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1	773762081	FDCNRKZSHFPFJB-ZDUSSCGKSA-N	403.500	3.527	10	20	HHCD	
CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2C1	773845346	HMVOMKXIWUPGCM-ZWKOTPCHSA-N	422.573	3.929	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2ccc(Br)cc2O)cc1	775565047	BYJPFIJCAFXAQJ-KBPBESRZSA-N	412.349	3.976	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(SCc2cn3ccccc3n2)cc1	778915857	WRGHQJCAYBIYQV-UHFFFAOYSA-N	405.479	3.968	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H](OCC2CC2)C1	779604459	KIOIIXOQEPTCNB-PXNSSMCTSA-N	423.504	3.857	10	20	HHCD	
C[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@@H]2CCCC[C@@H]12	782811415	YBQGNTOAOSSWIR-UKPHBRMFSA-N	420.556	3.905	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC1	783503085	GKTUFPJCJQFSOS-NRFANRHFSA-N	417.594	3.775	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)nn(-c2ccccc2)c1C	784026763	IBWODVZTHJGBIS-UHFFFAOYSA-N	406.486	3.572	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC([C@H]2CCCO2)CC1	784542226	QQNPEJDKBDWUKP-YLJYHZDGSA-N	423.504	3.857	10	20	HHCD	
Cc1ccc(Br)nc1C(=O)NCc1ccc(N2CCSCC2)cc1	786788220	DQUTXBKXAQBIIT-UHFFFAOYSA-N	406.349	3.636	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccccc1OC(F)F	788107896	YTQUUBTVWLYBAY-UHFFFAOYSA-N	419.472	3.509	10	20	HHCD	
COc1ccc(CNCc2cc(Br)cc(Br)c2N)c(O)c1	793388556	PRACGTYOCDEOSW-UHFFFAOYSA-N	416.113	3.798	10	20	HHCD	
O=S(=O)(c1csc2ccccc12)N(Cc1ccccc1O)C[C@H]1CCCO1	795850724	LLPHLLSADZKHSE-MRXNPFEDSA-N	403.525	3.977	10	20	HHCD	
C[C@H](Oc1ccc(C=O)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	795856753	OBSOEYLJNGXOND-FDDCHVKYSA-N	410.514	3.540	10	20	HHCD	
COc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)c(Br)c1	796282784	ZIPQWBWEAKMBIY-UHFFFAOYSA-N	419.363	3.956	10	20	HHCD	
CCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	800049007	KEYXNANOTUMZQV-FUHWJXTLSA-N	405.970	3.841	10	20	HHCD	
CCCCN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)Cc1ccccc1O	801597584	JVMMYWKMHINAKJ-UHFFFAOYSA-N	424.950	3.690	10	20	HHCD	
COc1ccc(C2=NO[C@@H](CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)cc1C	802298547	SWBVOJBBZQFTAS-OXJNMPFZSA-N	410.518	3.623	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cnc(Cl)c(F)c1	805022233	MNRQZRWJDAKGKG-UHFFFAOYSA-N	423.691	3.553	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCC(C)(C)c1ccc(F)cc1Cl)c1ccc(N(C)C)cc1	806263555	PHDIDDBRBXERRO-AWEZNQCLSA-N	419.928	3.816	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(Cl)cc1F	806843170	FTWGVCXGTTXDRI-OAHLLOKOSA-N	420.868	3.639	10	20	HHCD	
CC[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc23)C[C@@H](C)S1(=O)=O	808194974	RYIVQZPULSALMQ-DOMZBBRYSA-N	412.349	3.705	10	20	HHCD	
CC(C)Oc1ccc([C@H](CNCc2ccc(N3CCN(C)CC3)cc2)N(C)C)cc1	808427678	AYPSWRZCYUHGMD-VWLOTQADSA-N	410.606	3.618	10	20	HHCD	
COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(OC)c1OCC(F)F	809147061	JMQONPLCTGARTR-XNTDXEJSSA-N	412.458	3.804	10	20	HHCD	
C[C@@H]1CN(C(C)(C)CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1	838643038	XOTJFBAFFFXVEA-WOJBJXKFSA-N	416.610	3.706	10	20	HHCD	
COc1cc(CNc2ccc(S(=O)(=O)NCC3CC3)cc2)c(O)c(C(C)(C)C)c1	864043550	QTEREMLUIWQNBT-UHFFFAOYSA-N	418.559	3.999	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1nc(C3CC3)cs1)c2[N+](=O)[O-]	914528185	WPSWPLGKNLIIIX-UHFFFAOYSA-N	419.418	3.956	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@@H](O)CNCCc2cc(C)n(-c3ccccc3)c2C)cc1	915223576	QIOUJEQTDMFHKH-DEOSSOPVSA-N	421.541	3.625	10	20	HHCD	
Cc1cc(CCNC(=O)c2cc(S(C)(=O)=O)ccc2F)c(C)n1-c1ccccc1	918146542	BKTAPVZWMJPDQJ-UHFFFAOYSA-N	414.502	3.609	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3c3cccnc3)cc2F)C[C@@H](C)O1	918221034	NCNQSOJTEOQVIL-LLGFUMIMSA-N	412.509	3.881	10	20	HHCD	
O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918294592	HFYOGQZAOAAUAH-KRWDZBQOSA-N	422.403	3.557	10	20	HHCD	
COc1cc([C@@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCCO	920269184	KVRQORQMFLTFOU-GOSISDBHSA-N	408.498	3.965	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3csc(Br)c3)SC2=S)CC1	920471772	DYINGSWORDUTGH-IZZDOVSWSA-N	403.392	3.806	10	20	HHCD	
CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)OC)c1ccc(OC)c(OC)c1	921061098	NXPUOUWPCWYNAO-UHFFFAOYSA-N	406.504	3.634	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cncc(OCC(F)F)c1	1319374581	VEXCBPWBVHARFK-UHFFFAOYSA-N	408.360	3.753	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1	1325498636	KRVOXAQZHBJJPU-OAQYLSRUSA-N	408.546	3.637	10	20	HHCD	
CCOc1ccc(N2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1	1335867375	RTCAEVZTADSINN-INIZCTEOSA-N	423.473	3.927	10	20	HHCD	
CCCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccccc2c1=O	7188682	LBZKVLJPLJKABT-UHFFFAOYSA-N	424.570	3.623	10	20	HHCD	
Cc1ccc(C)c(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	108288277	ZUXYKGYYQWPVGM-QZTJIDSGSA-N	400.494	3.751	10	20	HHCD	
COc1ccc(N2CCCN(c3cc(C(=O)NC4CC4)c4ccccc4n3)CC2)cc1	301093428	NJKQJSWMTJYNDT-UHFFFAOYSA-N	416.525	3.852	10	20	HHCD	
CC(C)Cn1ccc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)ccc21	303191583	MMLFSVHCTZFDMF-UHFFFAOYSA-N	401.488	3.627	10	20	HHCD	
Cc1c(CNC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n(C)c2ccccc12	430946505	WOXSHWXVBOMTFU-GOSISDBHSA-N	404.514	3.681	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(C)Cc2c(F)cccc2Cl)n(C)c2ccccc12	576256316	RKQFWUMQTKFIFI-UHFFFAOYSA-N	401.869	3.554	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CNC(C)(C)c3ccccc3)cc2F)C[C@@H](C)O1	725800103	ZHORUERYHAZDSM-HDICACEKSA-N	413.537	3.580	10	20	HHCD	
COc1cccc(O)c1CNC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1	725846096	UDUNDWLNNYGMDX-KDOFPFPSSA-N	408.901	3.745	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)ccc21	726249877	NQHUOIQFCQVAAO-IBGZPJMESA-N	416.566	3.610	10	20	HHCD	
COC(=O)[C@H](CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)Cc1ccc(O)cc1	729253543	VDGAEGMVUTZQBJ-SFHVURJKSA-N	424.472	3.701	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1O	729565570	JEVOTJCWENIFMX-UHFFFAOYSA-N	417.465	3.925	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3cncc(Br)c3)cc2)CC1	731039382	RURLPRTWDDKOPV-UHFFFAOYSA-N	424.364	3.559	10	20	HHCD	
COC[C@@H]1CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1	733178044	ZKWINIJFXUYOOX-VQCBNXJZSA-N	424.613	3.615	10	20	HHCD	
O=C(NC[C@H]1CCCN1Cc1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1	734217567	KKTPKJYPVBNWRQ-DHIUTWEWSA-N	423.557	3.747	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)Cc2cccc3cccnc23)cc1F	735501169	VVMYVHIXBORPGP-UHFFFAOYSA-N	401.507	3.840	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@H](Cc2ccc(F)cc2)C1	736654112	YWNLMMMVYKAHTQ-LJQANCHMSA-N	415.484	3.576	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)nn2)n1	737398097	MCIJLGXINJFQQF-IAGOWNOFSA-N	410.497	3.644	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2cccn2)cc1	742797259	AETJGBYDLKYLQI-QGZVFWFLSA-N	412.440	3.873	10	20	HHCD	
O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743542478	QEGKHQWBMBHLCQ-HNNXBMFYSA-N	420.416	3.664	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(OCC2CCCCC2)CC1	743559728	MEXTYQIHUJWCKM-UHFFFAOYSA-N	415.578	3.794	10	20	HHCD	
CC(C)CN1CCO[C@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	745314546	AIKPCONAROCFLU-OAQYLSRUSA-N	403.567	3.593	10	20	HHCD	
COc1cc(CNC(=O)NCc2cccc(OC)c2O)ccc1OCCC(C)C	745466789	DXDMYLDGKXVSKT-UHFFFAOYSA-N	402.491	3.834	10	20	HHCD	
COc1cccc(CNC(=O)NCC2(c3cccc(Br)c3)CC2)c1O	745826197	RZLNDQNRAQSWEP-UHFFFAOYSA-N	405.292	3.694	10	20	HHCD	
Cc1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(C)n1-c1ccccn1	749065366	AYVJHDLAUMQGBO-SFHVURJKSA-N	403.530	3.840	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC3CCN(C[C@@H]4CCOC4)CC3)c2C)c1	749397640	UAWNEEIGUXZEJE-NRFANRHFSA-N	409.574	3.942	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1	751010125	FFDFUBITLNGFGT-UHFFFAOYSA-N	406.486	3.806	10	20	HHCD	
O=C(NCCOc1ccccc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1	752703179	NGKMSMGTWHULEV-KRWDZBQOSA-N	404.894	3.815	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nc(Cc2ccccc2)cs1	752904499	IQIIOEKSJZPQAS-UHFFFAOYSA-N	408.527	3.892	10	20	HHCD	
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCCSc1nccs1	753944200	WSQYADOXLIJJRK-UHFFFAOYSA-N	404.561	3.991	10	20	HHCD	
Cc1nc(-c2ccc(C)c(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2)n[nH]1	755831894	ZNVYFGBEXWRILC-INIZCTEOSA-N	420.517	3.808	10	20	HHCD	
Brc1cccc(N2CC[C@@H](NCc3ccc(N4CCOCC4)cc3)C2)c1	756100536	JXLSMGYXXHQQLU-LJQANCHMSA-N	416.363	3.654	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1cccc(NC(=O)C2CCC2)c1	759551191	SZQDWURGWLQZNB-UHFFFAOYSA-N	404.561	3.863	10	20	HHCD	
CCN(CC)Cc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	760997890	CWJNVGIURAOWRH-UHFFFAOYSA-N	415.921	3.852	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccn(C2CCCC2)n1	763321856	BQTCFFJMHATYLV-UHFFFAOYSA-N	404.461	3.998	10	20	HHCD	
C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-n2cnnn2)cc1	765645666	VPZDKYXUBWUEJW-HNNXBMFYSA-N	414.460	3.583	10	20	HHCD	
CC1CCC(N(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C2CC2)CC1	766881043	VVSSOSIALGPXOF-BIXGBWIQSA-N	412.578	3.641	10	20	HHCD	
CCN(C)C(=O)c1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1	767384033	WMHQYMYVZYPNLM-UHFFFAOYSA-N	408.546	3.561	10	20	HHCD	
Oc1nc(CN2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)nc2ccccc12	768231633	XHHATWIDWFNNSX-UHFFFAOYSA-N	417.557	3.644	10	20	HHCD	
CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H](Cc1ccc(F)cc1)C(C)C	769922634	IHXYGSAVAYGUOU-LJQANCHMSA-N	422.522	3.632	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1	772682813	QPTGXIZYXUSIDE-UHFFFAOYSA-N	421.530	3.581	10	20	HHCD	
C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc(N(C)C)cc1	773993880	KCUAMZZVEOKCCI-ZDUSSCGKSA-N	400.479	3.911	10	20	HHCD	
COCC1(C)CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	774233917	KABGQDKLICSLOE-MRXNPFEDSA-N	411.493	3.715	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(OC)cc1	775224816	YXAZLEFVRAYWTP-QFIPXVFZSA-N	409.530	3.520	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1O	775490827	DTJIJXMGDUIIBR-JXFKEZNVSA-N	401.938	3.988	10	20	HHCD	
O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@H]1c1cccc(Br)c1	775727390	DOOAGDSQPIUSLC-HNNXBMFYSA-N	413.674	3.620	10	20	HHCD	
CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1nc(-c2cccnc2)no1	776133890	ZMSHTUDSKQOAHD-BEFAXECRSA-N	408.506	3.955	10	20	HHCD	
CO[C@@H](CNCc1cc(Br)cc(Br)c1O)C(F)(F)F	776175268	ZEGZELAWIDJBAN-VIFPVBQESA-N	407.024	3.584	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CC(=O)O)C2CC2)c(C)n1-c1ccccc1Br	776630549	ZCRBROLSSUNQGQ-INIZCTEOSA-N	405.292	3.840	10	20	HHCD	
COc1ccc(OC)c([C@H](O)CN[C@H](C)c2cc(Br)cc(C)c2O)c1	779003381	OSTRHQXXCPJTQI-SJKOYZFVSA-N	410.308	3.865	10	20	HHCD	
CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1	780407005	CFDYEPGEACEASM-KRWDZBQOSA-N	415.559	3.669	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)cc1	784108459	NWVRHQRSFJFCSC-UHFFFAOYSA-N	417.513	3.676	10	20	HHCD	
CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	786254024	AHJCFSJHBXSVKV-IBGZPJMESA-N	423.557	3.564	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(C)nc1-c1ccoc1	789982125	ILGRAGKEOKPRSJ-UHFFFAOYSA-N	404.264	3.811	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	790411647	LNLJJMHILFQRFW-UHFFFAOYSA-N	406.338	3.519	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@H]1CCCN1C(=O)OCc1ccccc1	797726505	HTTWLMNOZYCVDR-MRXNPFEDSA-N	405.545	3.543	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCC[C@H](S(C)(=O)=O)CC3)c2C)c1	800456998	FTUOTRIKVOHFMK-NRFANRHFSA-N	416.587	3.793	10	20	HHCD	
CCN(Cc1c(F)cccc1F)C(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1	804852866	PJRAQPUKLBXBQH-UHFFFAOYSA-N	421.463	3.615	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc(Cl)c1O	806160631	JUBMGPLYSKEILY-KRWDZBQOSA-N	412.914	3.966	10	20	HHCD	
CCN(CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)Cc1ccccc1Cl	806614019	HRWUPUUAVQJTNA-SFHVURJKSA-N	415.965	3.876	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807840333	ZCTFHQOMGALNBI-YJYMSZOUSA-N	415.317	3.962	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1	811823716	YNVXRDMQZSGMQJ-UHFFFAOYSA-N	416.524	3.943	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)cc1	812008526	ACASMXCDZNEFGZ-KSSFIOAISA-N	421.588	3.701	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)C1	817642200	SWCBCAALAGVKGX-HZPDHXFCSA-N	404.507	3.597	10	20	HHCD	
CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	914907119	RAIDXDORBYATCD-INIZCTEOSA-N	420.469	3.632	10	20	HHCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(-c2ccccc2)cc1	916676734	PMLLDPHBLOBGIP-UHFFFAOYSA-N	420.534	3.518	10	20	HHCD	
O=C(CSc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	917364627	KTDSICRZCSBURU-QGZVFWFLSA-N	402.472	3.600	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Cl	918303738	FZXOSRAYLPTEPG-UHFFFAOYSA-N	403.910	3.790	10	20	HHCD	
O=C(Nc1cc(F)ccc1C(=O)Nc1cccc(N2CCOCC2)c1)c1ccoc1	918371169	GCWQRUIDMNUIOS-UHFFFAOYSA-N	409.417	3.760	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21	919565638	GVFYYZZVHDKERF-HNNXBMFYSA-N	423.494	3.686	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CCCc3c2cnn3C)cc1	919655345	VIXIWEDNOTWNKS-NRFANRHFSA-N	407.518	3.869	10	20	HHCD	
NC(=O)CCNC(=O)c1cccc(N[C@@H](CCc2ccccc2)c2ccccc2O)c1	1117749842	CJBGRRVGKYISIF-QFIPXVFZSA-N	417.509	3.783	10	20	HHCD	
C[C@H]1CCc2nc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)sc2C1	1317829762	HRMYGAJVAOPVNN-HNNXBMFYSA-N	400.548	3.768	10	20	HHCD	
Cc1cc(Br)cc(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)c1O	1319823109	YJYIERGLSRBUEY-SFHVURJKSA-N	403.320	3.858	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12	1320142548	LRIAWFMFCPSPBE-HBMCJLEFSA-N	419.477	3.645	10	20	HHCD	
CC(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1	1811263245	DEDVOUFOSFIAGF-VWNXMTODSA-N	416.525	3.829	10	20	HHCD	
COc1ccc(N2CCN(Cn3c(=S)oc4ccc([N+](=O)[O-])cc43)CC2)cc1	52569443	VALICOXDSJACHY-UHFFFAOYSA-N	400.460	3.660	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1C	105618136	VVFDZJFNJIGMMH-LJQANCHMSA-N	415.493	3.860	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3c3cccn3C)cc2F)C[C@@H](C)O1	108466016	VVDNQYNLNWHLJR-DRSNIGMVSA-N	414.525	3.825	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCCOc2ccc(F)cc21)c1ccc(N2CCOCC2)cc1	140929785	RMBOUVXEENQLST-KKSFZXQISA-N	413.493	3.936	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1	432738882	UXHANOVGWMOYIU-UHFFFAOYSA-N	401.466	3.789	10	20	HHCD	
Cc1sc2ncn(CCC(=O)NCc3c(C)c4ccccc4n3C)c(=O)c2c1C	471218607	CUCBVYZZGMQOMH-UHFFFAOYSA-N	408.527	3.581	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)ccc21	481932096	PBOCWCHZNRRLTJ-OAHLLOKOSA-N	407.470	3.876	10	20	HHCD	
CC(=O)N(C)C1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	726246165	CKZDPSICJOEOOB-UHFFFAOYSA-N	400.567	3.608	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1	726265591	HERICZBPIOKOAE-UHFFFAOYSA-N	418.582	3.931	10	20	HHCD	
COc1ccc(C2(CNC(=O)N[C@@H](C)c3cc(OC)ccc3O)CCOCC2)cc1	728950531	RSIKZRYEZXPNNA-INIZCTEOSA-N	414.502	3.518	10	20	HHCD	
COC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccc(OC)cc1	729389638	PBONPYDJBFTOSX-JOCHJYFZSA-N	422.481	3.755	10	20	HHCD	
CC[C@H](C)[C@@H](C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CC1	729545894	YVTQHSKWVWUGKH-INDMIFKZSA-N	419.585	3.955	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)c1	730029887	RFWOJRILFINQNC-AWEZNQCLSA-N	402.491	3.756	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2F)CC1	730193327	GBZOJKYYHIJHLG-SJORKVTESA-N	415.475	3.953	10	20	HHCD	
O=C(NCCCc1c[nH]c2ccccc12)NCc1ccc(N2CCC(CO)CC2)cc1	730902953	LXHFSYCTSAHIQA-UHFFFAOYSA-N	420.557	3.809	10	20	HHCD	
CCO[C@H](C)c1noc(CN(C)C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n1	742735018	FUKIPJPIRWNJGK-MRXNPFEDSA-N	412.490	3.855	10	20	HHCD	
COc1cc(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C	742799218	VNTKMFDCRJQZMI-KRWDZBQOSA-N	404.457	3.933	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(-c2ccncc2)on1	743808425	UCJXDTFUWHIUCI-UHFFFAOYSA-N	402.248	3.867	10	20	HHCD	
CC(C)c1nc2cc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)ccc2o1	743957959	FWEXQAXVSZFTDA-UHFFFAOYSA-N	407.470	3.791	10	20	HHCD	
CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	745058368	GYXJMOMZTJLSAO-UXHICEINSA-N	424.541	3.690	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCN(C(=O)C1CCC1)C1CC1	745811222	BCGGSNNMIHLECC-UHFFFAOYSA-N	414.594	3.854	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1C(F)(F)F	746220229	IWAMMXIPNKUHBI-UHFFFAOYSA-N	407.436	3.884	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc1	747308657	UQYUFSOYTCPKBH-KRWDZBQOSA-N	424.467	3.694	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1	747951974	YVVXFQJPHMTYHC-LJQANCHMSA-N	409.578	3.953	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCN(C)c4ccccc43)cc2F)C[C@@H](C)O1	750728399	JJBPGJKBCVDEKJ-FUHIMQAGSA-N	411.521	3.679	10	20	HHCD	
COc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc2c1O[C@@H](C)C2	751306377	VUKRAKCFFJRSRI-AWEZNQCLSA-N	400.438	3.981	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)ccc1F	751355770	HTOYHLUBZYMCJJ-UHFFFAOYSA-N	406.479	3.623	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCCCn3c(O)nc4ccccc43)cs2)cc1	751931720	PORSQGNMWWMLED-UHFFFAOYSA-N	408.483	3.619	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3c(C)nn(CC(C)C)c3C)CC2)cc1F	753741100	CDOWKXCBMRYDIJ-UHFFFAOYSA-N	416.541	3.585	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)c1	753978925	YOEZANOGFYZNPP-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1c(O)ccc2c1CCCC2	755823080	LBSNAWBAMVYTFG-UHFFFAOYSA-N	419.275	3.801	10	20	HHCD	
C[C@@H](NCCCCN1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1O	756432905	SWSFJZANXMOYRO-LJQANCHMSA-N	412.534	3.549	10	20	HHCD	
COCCN(CCN[C@@H](C)c1ccc(Br)cc1O)C(=O)OC(C)(C)C	756779320	JBHMSALROUIBDJ-ZDUSSCGKSA-N	417.344	3.689	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1	759402951	LXSVWXYDAGCNFR-UHFFFAOYSA-N	410.923	3.571	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(Cl)cc(OC)c1O	761199380	MPUVNMDGWXEKGH-UHFFFAOYSA-N	400.258	3.588	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)c1	761967271	JZMDLUHQFZXYFO-JXFKEZNVSA-N	412.486	3.769	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C2CC2)cc1	763626300	LULISZZDAHJSHX-UHFFFAOYSA-N	405.458	3.651	10	20	HHCD	
Cc1ccccc1-c1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)n(C)n1	764737254	WZPAPJHRBIBTSK-UHFFFAOYSA-N	405.502	3.554	10	20	HHCD	
CC(C)NC(=O)Nc1ccccc1C(=O)NCc1cccc(Br)c1O	765731572	JQYNETVNOYCVHS-UHFFFAOYSA-N	406.280	3.615	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)cc1	767690673	PKEFTQCIIURCER-UHFFFAOYSA-N	418.559	3.573	10	20	HHCD	
COc1cc(O)c(CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1OC	768438674	DLFPIYKZADABCU-UHFFFAOYSA-N	400.353	3.882	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)c2)CC1	770146827	IJQVKFRKFKKWFL-UHFFFAOYSA-N	400.504	3.711	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H](OC1CCOCC1)c1ccccc1	771854695	CWWORRCQIYJCQM-LVXARBLLSA-N	423.601	3.853	10	20	HHCD	
COc1cc(OC)cc(OCCCN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	773041066	GLGYRCYJZUILAS-QGZVFWFLSA-N	418.509	3.799	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F	773739765	JWAYVPLKYPOAPL-JTQLQIEISA-N	422.819	3.631	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1O	774982181	DEJRUGJMTGWNEX-GFCCVEGCSA-N	400.410	3.793	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1	775188948	HHQQBAFOPQOZPS-JOCHJYFZSA-N	421.928	3.928	10	20	HHCD	
CC(C)C[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	775197621	NRIJAXIPVAJIDT-FCHUYYIVSA-N	424.541	3.803	10	20	HHCD	
O=C(NC1CCOCC1)c1ccc(NCc2cccc(Br)c2O)cc1	775205515	KTHGJUZXJBHUJU-UHFFFAOYSA-N	405.292	3.676	10	20	HHCD	
C[C@H](NC[C@@H](O)CO[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	775262210	ZLFNZLUWVXBTLB-CYSDGLOUSA-N	410.558	3.629	10	20	HHCD	
C[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(N2CCCCCC2)cc1	777676137	GYVUMBMIAHZFLA-SFHVURJKSA-N	408.546	3.845	10	20	HHCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCO1	778753268	ORJZWYOHBQLKBY-UNMCSNQZSA-N	403.567	3.648	10	20	HHCD	
COCC[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(C)o1	779396087	HJENALREUWIRNO-OALUTQOASA-N	402.491	3.762	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-c2ncn(C)n2)cc1	780595486	WUODHJOGOWBOAQ-UHFFFAOYSA-N	415.291	3.613	10	20	HHCD	
Cc1ccc(C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c(O)c1O	780914387	ITQUJHYKPBETFM-QGZVFWFLSA-N	404.507	3.658	10	20	HHCD	
COc1ncc(C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1	783483183	OPTCEANOFINZGY-INIZCTEOSA-N	404.470	3.714	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1O	783507774	ADELQBCQCRJQJZ-QGZVFWFLSA-N	407.514	3.998	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1	783513227	JNUJPEBMXRDFME-QGZVFWFLSA-N	408.546	3.916	10	20	HHCD	
Cc1cc(C)nc(-n2nccc2NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1	789305753	LKEMIDMRTWAEAZ-UHFFFAOYSA-N	407.522	3.788	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H](CC(=O)O)c3cccc(C(F)(F)F)c3)cc2)CC1	789903412	JHUJOMXCSWOOSK-HXUWFJFHSA-N	421.463	3.763	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ccc(-n4nnnc4O)cc3)c2C)c1	789925306	VDLKLYOOEVCWRA-UHFFFAOYSA-N	402.458	3.645	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H]3CCC4(CCCCC4)O3)CC2)cc1	790629069	KGUJLPONUBCOAN-OAQYLSRUSA-N	401.551	3.799	10	20	HHCD	
Cc1ccc(Br)cc1NC(=O)CNCc1c(O)ccc(Cl)c1F	790955737	WZUVCXBEZGEONY-UHFFFAOYSA-N	401.663	3.984	10	20	HHCD	
CN(C)S(=O)(=O)c1cccc(NCc2ccc(OCc3ccccc3)cc2O)c1	793086830	VXTCUMVUCJIHOD-UHFFFAOYSA-N	412.511	3.834	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCn2cnccc2=O)c(C)n1-c1ccc(C(C)C)cc1	796350347	MQBRZYZJJGDEDM-UHFFFAOYSA-N	421.497	3.590	10	20	HHCD	
O=C(NC[C@H]1CCCN1C1CCCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	798120339	RAFNSGSCIAKHCH-FGZHOGPDSA-N	415.578	3.880	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cc(Br)ccc2F)SC1=S	799201184	VFUXGUQQKLASJI-WQLSENKSSA-N	418.309	3.743	10	20	HHCD	
CC(C)(C)Nc1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1O	799263826	YHEDPNQLOXWUEM-UHFFFAOYSA-N	420.307	3.620	10	20	HHCD	
CC(C)(COCc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	800508016	HAXIJUSUXQPPCB-UHFFFAOYSA-N	414.521	3.646	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1F	803664743	QGLBHOLKTZOFBZ-LJQANCHMSA-N	423.891	3.814	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)cc2)CC1	805025868	XGAKABIPJMRGEM-UXHICEINSA-N	407.558	3.848	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1	805235996	XMBBHVIKTSGBAN-AWEZNQCLSA-N	422.312	3.547	10	20	HHCD	
CSc1cccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1	807780452	PMGNIXPPVXLGEZ-UHFFFAOYSA-N	421.525	3.624	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	807912452	IABMWVWKOCFVFZ-SIKLNZKXSA-N	424.541	3.805	10	20	HHCD	
CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1	808115804	SYETYEZJLYBRFK-UHFFFAOYSA-N	400.859	3.970	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1COc2ccccc2[C@H]1O	808975446	XKKWQXHJLJPCJA-PZJWPPBQSA-N	416.437	3.651	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1	809286797	CTGKGJLNYNHGBO-GOSISDBHSA-N	419.525	3.594	10	20	HHCD	
CC1(C)CCCc2sc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)nc21	810348891	YOVVAQOELMRSMA-UHFFFAOYSA-N	412.559	3.612	10	20	HHCD	
C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Br)cc(F)c1O	812739321	BVSNMYAQZJJTDM-ZYHUDNBSSA-N	411.246	3.889	10	20	HHCD	
CCS(=O)(=O)N1CCC(CN[C@H](CCc2ccccc2)c2ccccc2O)CC1	815616787	YEFFBTMTAWSEKY-JOCHJYFZSA-N	416.587	3.717	10	20	HHCD	
COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1cc(C)n(-c3ccc(F)cc3)c1C)C2	818949837	GNKGZWFZFSILES-SFTDATJTSA-N	413.537	3.947	10	20	HHCD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	843460939	DRHMPQDGNQZBGI-PTUXOGIPSA-N	402.579	3.959	10	20	HHCD	
Cc1cc(CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(C)n1-c1ccccc1	915281701	SKHPPYNIEQZTNF-UHFFFAOYSA-N	417.469	3.711	10	20	HHCD	
COCCOc1ncccc1CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	916221369	WRFVWJGLMDUBAV-UHFFFAOYSA-N	422.529	3.556	10	20	HHCD	
C[C@H]1CCCCN1CCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	916505402	YQEZJDNNZLWENH-FPOVZHCZSA-N	403.567	3.737	10	20	HHCD	
CC(C)N(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1F	918265890	KRUMZEKTUCJGNO-UHFFFAOYSA-N	412.509	3.525	10	20	HHCD	
CN(C[C@@H]1CCCCO1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	918684504	PGPXNUMQUGTNOH-AOHITCTBSA-N	424.613	3.757	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]4CCCC[C@@H]4C3)cc2F)C[C@@H](C)O1	1317923754	IZAPOQKGGZPEJI-IZZBFERCSA-N	417.569	3.568	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(OC[C@H]4CCCO4)c3)CC2)cc1	1320023108	AFNAHXWRHDSVCL-HSZRJFAPSA-N	410.514	3.606	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)C2CCC2)CC1	1826251361	VOCSIRICLAILIJ-SFHVURJKSA-N	420.937	3.785	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3Cl)CC2)cc1	4791706	GCBDCCIKZVCEDQ-UHFFFAOYSA-N	402.926	3.682	10	20	HHCD	
Cc1ccn(C2CCN(C(=O)Cn3c4c(c5ccccc53)CN(C(C)C)CC4)CC2)n1	434025316	MNTBVWCDMMOHNT-UHFFFAOYSA-N	419.573	3.776	10	20	HHCD	
C[C@H](NC(=O)NCc1sccc1Br)c1ccc(N2CCOCC2)cc1	726248019	XMMLCLDWVUDZJC-ZDUSSCGKSA-N	424.364	3.908	10	20	HHCD	
CCn1c(C)nnc1SCC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	726433062	ZJPQDKNBNOTBIM-UHFFFAOYSA-N	412.515	3.776	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(-c4ccc(C)cc4)c3C)CC2)cc1	726562868	SNBNQWJHONMZNG-UHFFFAOYSA-N	404.514	3.897	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1	726611531	RGWLBQFOSILPAV-QFIPXVFZSA-N	422.573	3.628	10	20	HHCD	
C[C@H]1CCCCN1[C@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726612677	DFWKYCQKHFNDKZ-DLBZAZTESA-N	424.536	3.819	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(N4CCOCC4)cc3C)CC2)cc1	726695969	MIQBKKFDMAYLAX-UHFFFAOYSA-N	424.545	3.631	10	20	HHCD	
O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)NCc2ccccc2O)cc1	727593433	RHFGJJVSWNIPCT-UHFFFAOYSA-N	410.518	3.919	10	20	HHCD	
CCOc1cc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)ccc1OC	727864815	XWRGOXGVHODYLH-PDGQHHTCSA-N	400.525	3.933	10	20	HHCD	
CCN(CC(=O)NCc1ccc(F)cc1)Cc1ccc(N2CCC(OC)CC2)cc1	728052519	IERVVVZIIDEMGE-UHFFFAOYSA-N	413.537	3.579	10	20	HHCD	
O=C(CN1C(=O)NC2(CCSCC2)C1=O)Nc1ccc(N=Nc2ccccc2)cc1	728176816	ZXZDZBNLEFDMIS-UHFFFAOYSA-N	423.498	3.858	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	728222228	APMPAJQNPMJNJW-UHFFFAOYSA-N	401.463	3.730	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2nnc(Cc3ccccc3F)s2)cc1F	731115560	FROHNIHEIJTBPX-UHFFFAOYSA-N	403.458	3.795	10	20	HHCD	
Cc1cnc(-c2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)o1	731406527	NMSHKYXWLLERNI-UHFFFAOYSA-N	418.497	3.846	10	20	HHCD	
CC(C)(C)n1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cn1	731424231	WKAPMTXANGMKCI-UHFFFAOYSA-N	418.409	3.574	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1nc2ccccc2s1	734166734	DFFMJZXFJZUQOQ-CQSZACIVSA-N	414.506	3.832	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(Br)cc1	736588420	UGKNOSXHRQASSH-RZAQHMAJSA-N	423.376	3.838	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)cc2nc[nH]c12	742800319	IBIOTAWFDYWTTR-ZDUSSCGKSA-N	404.392	3.702	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)cc1	743879863	MLAPMAQZVSYMTE-UHFFFAOYSA-N	410.543	3.915	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(C)[C@H](C)c3cccnc3)cc2F)C[C@@H](C)O1	744280324	JNJYBXADHSOZAE-IXDOHACOSA-N	400.498	3.737	10	20	HHCD	
Cc1cc(NC(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)n(C(C)(C)C)n1	744692595	QMAODYWJFWNKIB-UHFFFAOYSA-N	409.490	3.545	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)cc1	746133073	CFJPEZBCQASLKP-LJQANCHMSA-N	400.567	3.513	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)o1	748091776	JIRYXXUNEZGYNM-UHFFFAOYSA-N	422.484	3.698	10	20	HHCD	
CCNc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1[N+](=O)[O-]	751301554	DLXVPRGPZWGEKY-UHFFFAOYSA-N	402.414	3.989	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1nc(C2CCCCC2)no1	752915040	RQYCAYFLGWDBSH-INIZCTEOSA-N	413.522	3.514	10	20	HHCD	
COC(=O)CCC1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	753344524	QSFLRLHCEBUYMW-UHFFFAOYSA-N	401.551	3.798	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	753736314	UYQMSNPZCQAKRL-XUZZJYLKSA-N	423.557	3.833	10	20	HHCD	
COc1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1F	754039671	BYAPXXWWAOBIOF-UHFFFAOYSA-N	419.305	3.652	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cc1F	755836611	LNZXZFHDTADMTI-UHFFFAOYSA-N	412.440	3.563	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc([S@](C)=O)cc1	756057065	NRVLMCDLNFGZLM-OLRZCDJHSA-N	417.600	3.538	10	20	HHCD	
Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(O)c1	756429063	DCYDMCMUVJBLCS-ZWKOTPCHSA-N	402.560	3.972	10	20	HHCD	
CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC1	756915540	XSMUOSWZNRMYKU-UHFFFAOYSA-N	401.551	3.988	10	20	HHCD	
Cc1cc(C(=O)Nc2c[nH]c(C(N)=O)c2)c(C)n1-c1cccc(Br)c1	756967914	HRHMYCDMDQVXQE-UHFFFAOYSA-N	401.264	3.536	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(Br)c(F)cc1O	757640656	SSJUVOHGQZKJOD-CZUORRHYSA-N	423.326	3.711	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2-n2ccc(C)n2)cc1	759495757	FJJKFNQJCQCENA-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
C[C@H](C[C@@H](O)c1ccco1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	759575931	VRPMIPPHCVOQOY-RDTXWAMCSA-N	423.460	3.661	10	20	HHCD	
O=C([C@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc2O1)N1CCCCC1	759777174	PFOPPCUQCMHEQV-ZMOVQZPESA-N	411.889	3.555	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@H](C)S(=O)(=O)CC3)c2C)c1	759987385	DSXQSQDTVMYLRN-INIZCTEOSA-N	420.600	3.508	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)O[C@H](c4ccsc4)C3)CC2)cc1	760162916	CRDHSLUZIWXBEY-IERDGZPVSA-N	415.559	3.897	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C2CC2)cc1	761796280	CUGZLIIGITVVDE-QHCPKHFHSA-N	420.557	3.618	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	763279480	LKOWDZLXCFUCQX-CYBMUJFWSA-N	415.877	3.871	10	20	HHCD	
Cc1cc(-n2c(C)cc(/C=C3/SC(=S)N(Cc4ccon4)C3=O)c2C)no1	764413181	WTZDTABIGQRORS-OVCLIPMQSA-N	400.485	3.780	10	20	HHCD	
CC(C)NC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1	767352479	JGXACEMVRDXGKK-QHCPKHFHSA-N	423.557	3.712	10	20	HHCD	
CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1	768574402	ZNXNKGSGNZRJGQ-ZRDIBKRKSA-N	412.486	3.665	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	769395452	HTXUILOJDYMHLC-MSOLQXFVSA-N	409.958	3.609	10	20	HHCD	
O=C(Cc1ccn(-c2ccccc2)n1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771060102	UGVSAXVQAPOOIT-FQEVSTJZSA-N	424.932	3.555	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCSC[C@@H]1c1nccs1	771290150	FESABERCNHUECP-QGZVFWFLSA-N	420.629	3.696	10	20	HHCD	
C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCOc2cc(N(C)C)ccc21	774750216	HRUJZXCTWCFIAP-OAHLLOKOSA-N	410.543	3.608	10	20	HHCD	
CC[C@H](NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccccc1O	775484595	GDICIQMQSNHSCI-PMACEKPBSA-N	400.519	3.524	10	20	HHCD	
C[C@@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1ccc(N(C)C)cc1	776239556	UIYWPEGGKVASSQ-LJQANCHMSA-N	409.578	3.557	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2F)C[C@H](C)O1	780609479	UFJOFAIMVMKGAM-ILXRZTDVSA-N	417.481	3.603	10	20	HHCD	
O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	782628646	XMOSOSYFEFCMHZ-UHFFFAOYSA-N	424.456	3.770	10	20	HHCD	
CN(C)Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	782897492	XSEJDGWJOYLISW-UHFFFAOYSA-N	409.530	3.754	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)C2CC2)cc1	785923216	KVZDLPZCNRAZRS-JOCHJYFZSA-N	412.578	3.750	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1	787593942	XFBZPNBNIYJPDC-UHFFFAOYSA-N	407.474	3.985	10	20	HHCD	
C[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1cccc(C(F)(F)F)c1O	788750652	OKVLDVKFHYTKPY-ZDUSSCGKSA-N	414.449	3.802	10	20	HHCD	
CCCC[C@H](CCC)NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	789825494	MHCVLUDKZPVBBL-SCTDSRPQSA-N	421.557	3.531	10	20	HHCD	
COc1ccc([C@@H](CN(C)C)NCc2cc(Br)cc(OC)c2O)cc1	790653367	RSINNPPZXCTPHR-QGZVFWFLSA-N	409.324	3.564	10	20	HHCD	
CCN1CCN(C(=O)Cc2ccc(NCc3c(O)ccc(Cl)c3F)cc2)CC1	790982291	UOFDWNMKPMQXDX-UHFFFAOYSA-N	405.901	3.503	10	20	HHCD	
CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2cc(F)cc(C(C)=O)c2O)cn1	792365356	NJJZFEZVZITDFK-QFIPXVFZSA-N	411.477	3.686	10	20	HHCD	
O=S(=O)(Nc1ccc(N2CCCCC2)c2ncccc12)c1cccc2nonc12	795653637	UXYUEABNSSHVOC-UHFFFAOYSA-N	409.471	3.562	10	20	HHCD	
Cc1cc(OCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)ccc1[N+](=O)[O-]	797463908	RMIWOOXFWUHISL-UHFFFAOYSA-N	403.398	3.630	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC(C)(C)COCc3ccccc3)CC2)cc1	798399503	GNJYBTFZEMDVLE-UHFFFAOYSA-N	411.546	3.959	10	20	HHCD	
CC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	800720288	RJXNDOMCBCZVEJ-QFBILLFUSA-N	420.985	3.634	10	20	HHCD	
CCSc1ccc([C@@H](C)NC(=O)C(=O)NCCCSc2nccs2)cc1	804587799	BMUHCYXCRCBNBI-CYBMUJFWSA-N	409.602	3.731	10	20	HHCD	
O=C(NCCOc1cccc(C(F)(F)F)n1)NCc1cc(Cl)cc(Cl)c1O	805233368	GDPGBDMEJTYXJG-UHFFFAOYSA-N	424.206	3.991	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1	806846585	UCHGKXGNJDPGOH-UHFFFAOYSA-N	418.469	3.897	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1	807179634	XGTMFZOHYIZCQO-GMAHTHKFSA-N	407.558	3.629	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCc2ccccc2OCCN2CCOCC2)c1O	808682535	UGIGHHPUCUIJET-QGZVFWFLSA-N	404.938	3.916	10	20	HHCD	
O=C(NC1CCCCC1)OC[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1	809719936	SFRBYQPFSFQRMV-HXUWFJFHSA-N	419.541	3.686	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc(N(C)C)cc1	812902842	MWXMXINYWYQYBA-IAGOWNOFSA-N	409.534	3.794	10	20	HHCD	
Cc1cnc(Br)c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	813001387	DCCKSFNNDLMTPW-AWEZNQCLSA-N	419.323	3.872	10	20	HHCD	
C[C@@H](SC1=NC(=O)/C(=C\c2csc3ccccc23)S1)C(=O)N1CCNC1=O	814772258	RMHGAQXSMRYWRB-WWNSAXIVSA-N	417.537	3.545	10	20	HHCD	
C[C@H](NCc1cccc(N2CCOCC2)c1)c1ccc(N2CCOCC2)cc1Cl	815637548	ADUSFLYBPDABNW-SFHVURJKSA-N	415.965	3.864	10	20	HHCD	
CCCNS(=O)(=O)c1ccc(NCc2cc(C)cc(Br)c2O)cc1	864043075	ILLYMBFGNOJWQK-UHFFFAOYSA-N	413.337	3.764	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)n2)cc1	914789549	HACYFVSINICUMW-UHFFFAOYSA-N	401.513	3.581	10	20	HHCD	
CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)s1	917220817	MXWPCRCIAGBCRL-UHFFFAOYSA-N	421.569	3.925	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCCOc3ccccc3)cc2F)C[C@@H](C)O1	917709249	FFLMWBJKRYTGFG-HDICACEKSA-N	400.494	3.915	10	20	HHCD	
Cc1cnn(-c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2)c1	917710042	ADOPDXKHRNHAES-QZTJIDSGSA-N	422.504	3.863	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)cc1	918206467	FIQJDHAMXOYXQZ-UHFFFAOYSA-N	406.534	3.730	10	20	HHCD	
CSc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1	920179843	CXUPIJGEXCPFCK-UHFFFAOYSA-N	423.561	3.954	10	20	HHCD	
Cc1cccc(C)c1OC[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	920411990	PCISVJPMWAENSC-HXUWFJFHSA-N	413.518	3.731	10	20	HHCD	
CCCCO[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	920917067	JNTNZGGXZPMCPQ-LSDHHAIUSA-N	423.465	3.537	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(COCC3CC3)c2)C2CC2)cc1	920922053	ACLKBLXZMQIKSE-UHFFFAOYSA-N	421.541	3.809	10	20	HHCD	
CC(C)(C)c1ccc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)cc1	1116606247	HLWKREMCGAZLJX-UHFFFAOYSA-N	401.488	3.702	10	20	HHCD	
C[C@H]1CCC2=S=C(c3nnc(-c4ccc(S(=O)(=O)C(F)F)cc4)o3)C=C2C1	1322454037	RYYREHNXKOYAIB-JTQLQIEISA-N	410.467	3.919	10	20	HHCD	
CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)n[nH]2)CC1	1821291156	UDMNHWCANVDKAM-AWEZNQCLSA-N	418.881	3.580	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)C3=CCCS3)C2)cc1	1841646351	HIFXPKHKVJIUIF-UHFFFAOYSA-N	421.566	3.932	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1	50575873	IIUMJMYYHKEHGN-UHFFFAOYSA-N	412.555	3.933	10	20	HHCD	
CCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	60106632	YATXHQMNWBWPSK-SFHVURJKSA-N	410.514	3.762	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CCNC4=O)cc3C)ccc21	441488169	HTDLQDKTKSHYOP-UHFFFAOYSA-N	420.513	3.995	10	20	HHCD	
CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1c(C)c2ccccc2n1C	473287615	MJAIBJTVZRZFSF-FQEVSTJZSA-N	423.582	3.584	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCN(c4cccc(C)c4)CC3)CC2)cc1	726716312	FSDCBOJRGFZBHQ-UHFFFAOYSA-N	408.546	3.504	10	20	HHCD	
Cc1csc(CCCCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	727173067	QBDGNWPVBNIHBH-KRWDZBQOSA-N	402.564	3.671	10	20	HHCD	
COc1cccc2c1OC[C@H](NC(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2	728398800	IFJXLUVRKIOLPW-HXUWFJFHSA-N	409.530	3.831	10	20	HHCD	
COc1ccc(-n2nnc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)c2C)cc1	731017088	VTOSIJGAGNJMJP-UHFFFAOYSA-N	419.529	3.751	10	20	HHCD	
CC1CCN(c2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cn2)CC1	735518426	VEOBDEHIZCNTKB-OAQYLSRUSA-N	409.530	3.845	10	20	HHCD	
O=C(NCCOc1ccc(Br)cc1)NCc1ccc(N2CC=CC2)cc1	740910683	SPRZYYOMXMYDGI-UHFFFAOYSA-N	416.319	3.704	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nc(-c2cccc(F)c2)no1	743701763	AOOPDBILPFACAA-GFCCVEGCSA-N	401.417	3.641	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(Oc2ccccn2)c1	743917678	LSEFFYHTSAMXRB-UHFFFAOYSA-N	414.465	3.505	10	20	HHCD	
COCCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(OC)c(OC)c1	746475498	VAISLRQGHXLRHA-UHFFFAOYSA-N	412.408	3.814	10	20	HHCD	
CCOc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OCc1ccccc1	747148473	ZGKYEYOOTZQCGR-RCCKNPSSSA-N	424.522	3.967	10	20	HHCD	
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1O)OCc1ccccc1	748345623	FUPQGZFYHKECFV-NRFANRHFSA-N	404.466	3.546	10	20	HHCD	
COc1ccc(NCc2ccc(OCc3ccccc3)cc2O)cc1-n1cnnn1	753548268	FNUMOKFSGPMGMA-UHFFFAOYSA-N	403.442	3.568	10	20	HHCD	
O=C1NCCN(Cc2ccc(OCc3ccccc3)cc2O)[C@@H]1c1ccccc1F	753588927	FLSBBOWUUPXPTH-HSZRJFAPSA-N	406.457	3.783	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)o1	753978957	ZFRIQHFTSYOJJO-UHFFFAOYSA-N	410.448	3.828	10	20	HHCD	
COc1ccc(N2CCN(Cn3c(S)nnc3CCC3CCCC3)CC2)cc1F	754013945	PEGBEUMKYLQINK-UHFFFAOYSA-N	419.570	3.617	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2csc([C@@H]3CCCO3)n2)cc1	755788126	FRHZWKQBYBXXMW-QUCCMNQESA-N	415.559	3.882	10	20	HHCD	
Cc1ccc([C@H](CN[C@H](C)c2ccc(Br)cc2O)N2CCOCC2)o1	756362864	DMRDWYGLHRQNKU-PBHICJAKSA-N	409.324	3.780	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNCC(C)(C)NC(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1	759134536	IFJUEWAUMZMGPN-HZPDHXFCSA-N	409.546	3.832	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)c1	762654033	AGRBOVZCWQZGDI-HUUCEWRRSA-N	402.491	3.657	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccnc2OCC(F)F)cc1F	763497141	WGOKQFPFVPHQLV-UHFFFAOYSA-N	410.440	3.710	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2ccccc2Cl)C1=O	764140157	ANQXAOUTYUVISM-QFIPXVFZSA-N	413.949	3.804	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cccc(Br)c1O	765757004	PNYUECDNVWWYNS-UHFFFAOYSA-N	401.054	3.553	10	20	HHCD	
CC(C)c1c(C(=O)NCc2cccc(Br)c2O)cnn1-c1ccccn1	765766206	VZBLSLFZLHTIIG-UHFFFAOYSA-N	415.291	3.789	10	20	HHCD	
COc1ccc(-c2nc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)cs2)cc1	767895549	GOZILZTUHBBVBJ-NTEUORMPSA-N	420.537	3.885	10	20	HHCD	
CC(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	767976351	ORYDGZWZKCTEGL-QGZVFWFLSA-N	402.878	3.825	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)C2)nc1	768535907	FJDOGCAIMJBQBH-CYBMUJFWSA-N	404.854	3.508	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCOc2ccccc21	768915961	OIZZTWCFTJNGMA-PKOBYXMFSA-N	400.906	3.693	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCOC2(CCCCC2)C1	769033082	JIFCBKZZDOHBOZ-NRFANRHFSA-N	415.578	3.576	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)cc1F	770264476	BKGIGIFZQOLQND-UHFFFAOYSA-N	417.456	3.607	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NCc2ccc(C(=O)NCCN3CCCC3)cc2)cc1	772995152	CODHCADZFOJKMA-FQEVSTJZSA-N	408.590	3.819	10	20	HHCD	
C[C@@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1O	774490243	GNJGFVBNJZFVQL-SNVBAGLBSA-N	418.393	3.574	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(F)cc(F)c1O	774509317	NPXKDGWCZCNYFF-MGPLVRAMSA-N	411.246	3.889	10	20	HHCD	
FC(F)(F)c1ccccc1N1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1	775372195	YFGUEJHCUUWSKO-GOSISDBHSA-N	405.464	3.911	10	20	HHCD	
COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CCC(=O)N2C)cc1	775402355	DEJNQNZLSPPWEI-JFJYTDJESA-N	409.530	3.548	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCOc4cc(F)ccc43)CC2)cc1	776938134	MEERJMXFKMFKBR-OAQYLSRUSA-N	413.493	3.970	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1	780394077	QDBAMJAKCFURPO-CVDCTZTESA-N	401.551	3.796	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC(F)F)cc1	783316190	JLZNYHGFHVGYFP-UHFFFAOYSA-N	405.445	3.730	10	20	HHCD	
COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)c2ccccc2O)c1	783509628	LILSCMTUFYATQW-ZDUSSCGKSA-N	407.308	3.634	10	20	HHCD	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	786708595	BAEHAJXNDUMRAF-KRWDZBQOSA-N	417.447	3.659	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccc(F)c(Cl)c1	786971934	GSUVDJVWVYMSIR-UHFFFAOYSA-N	417.912	3.744	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCCc2ccccc21	788484722	NULNPHAKYCHTGB-NRFANRHFSA-N	407.558	3.726	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCC2(Sc3ccccc3)CC2)cc1	788967032	NUFSBOBGDCPXSR-UHFFFAOYSA-N	411.571	3.590	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1C1CCCC1	789803028	LJWGKDFLYKMXMU-UHFFFAOYSA-N	414.525	3.591	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c(F)c1	790639058	KRDUHXICWOSWCT-UHFFFAOYSA-N	422.459	3.530	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3cnc(OC)c(Cl)c3)cc2F)CC1	793523085	CPRUTTXWGBSZER-OAHLLOKOSA-N	406.933	3.875	10	20	HHCD	
C[C@H](NC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)c1ccc(N(C)C)cc1	793855653	LDFZOTRCEAAGRR-AWEZNQCLSA-N	418.563	3.767	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)cc(OC)c1OC	795261869	WHQFJIYUBAQZQR-UHFFFAOYSA-N	424.472	3.967	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ncc(I)s2)cc1	796267078	VJBSWNNPCBPLMV-UHFFFAOYSA-N	401.317	3.884	10	20	HHCD	
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)NC(C)(C)C	796434217	JMSLAKMSAFZSMT-UHFFFAOYSA-N	417.575	3.521	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3nncn3C)cc2Cl)C1	800719121	HBXDHXBNAUICNZ-DNVCBOLYSA-N	416.957	3.752	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3nncn3C)cc2Cl)C1	800719122	HBXDHXBNAUICNZ-HNAYVOBHSA-N	416.957	3.752	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cl)c4ncccc34)cc2)C1	800854114	OAIZDIMSUJYHQI-MRXNPFEDSA-N	422.916	3.520	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O	801551981	VWZSSZPXKOMSSU-INIZCTEOSA-N	416.543	3.545	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1	801629609	KSBAUDHHVJXDIB-UHFFFAOYSA-N	405.520	3.988	10	20	HHCD	
Brc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)CCO2	802659338	KPIILZRUHJAJKQ-UHFFFAOYSA-N	403.320	3.680	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[C@H](C(C)C)CC3)CC2)cc1	804318132	AJQCXABCHZAWPM-OALUTQOASA-N	415.578	3.501	10	20	HHCD	
Cc1ccc(C)c([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1	807291885	JLCXEYBCCXIZGZ-HSZRJFAPSA-N	403.526	3.660	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-c2ccco2)cc1F	807992117	ACLVSLAKBCYOBL-UHFFFAOYSA-N	410.445	3.846	10	20	HHCD	
C[C@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc(N(C)C)cc1	810254795	JAWOVETYDFNGJO-KRWDZBQOSA-N	406.530	3.972	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c1	811822922	OJRWRSXYDQBDLB-UHFFFAOYSA-N	402.497	3.635	10	20	HHCD	
COc1ccc([C@H](O)C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)cc1	812776568	VUQLTNYEPYMTFD-IBGZPJMESA-N	406.866	3.908	10	20	HHCD	
COCCn1nnc2c1CCN(C(=O)c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)C2	817827568	PQQMKSZUDAIHNZ-UHFFFAOYSA-N	421.545	3.654	10	20	HHCD	
Cc1ncsc1CCOC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	821702675	KJRZYYPEBIZNNH-UHFFFAOYSA-N	422.418	3.535	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnc(OCC(C)C)c(Cl)c3)CC2)cc1F	857464956	XRLLMZRBOBQXHT-UHFFFAOYSA-N	421.900	3.880	10	20	HHCD	
O=C1C[C@H](c2ccc(NCc3ccc(OCc4ccccc4)cc3O)cc2)NC(=O)N1	864044607	FQWNHCYSTYJAFP-OAQYLSRUSA-N	417.465	3.854	10	20	HHCD	
Cc1ccc(/C=C\c2nc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)n[nH]2)o1	913611179	IMAQYLONWRYYOE-QXMHVHEDSA-N	411.531	3.693	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C2CC2)cc1	914440271	VJEIBZPMZPTMNH-JOCHJYFZSA-N	407.514	3.675	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)c2ccc3ccccc3c2)c(C)n1-c1ccccn1	915816035	XMKHSIWWPQROST-UHFFFAOYSA-N	405.479	3.761	10	20	HHCD	
CCCN(CC(F)(F)F)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	915861414	IXHBTLMIBSZCAS-UHFFFAOYSA-N	420.343	3.785	10	20	HHCD	
COc1ccc(NC(C)=O)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	916671088	ABHVJAFYOYTGGV-GOSISDBHSA-N	413.474	3.572	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C	917417940	OEBHMZFDQJBPMS-UHFFFAOYSA-N	400.479	3.519	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC(F)F	918207006	PQUMPPCOYKBYED-CQSZACIVSA-N	423.435	3.824	10	20	HHCD	
Cn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(-c2cccnc2)n1	920065268	VAMSQSJRZBQNMY-CXUHLZMHSA-N	422.491	3.586	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NC1CCN(S(=O)(=O)Cc2ccccc2)CC1	1116588400	FDNHPLRBOQWVBW-FXAWDEMLSA-N	414.571	3.833	10	20	HHCD	
O=C(COC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2)c1ccc(O)c(O)c1	1339308053	NVUUHPSKTHBCAO-UHFFFAOYSA-N	424.428	3.867	10	20	HHCD	
O=[N+]([O-])c1ccc(NC(=S)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	7518358	BSXYWECRVOSDSU-UHFFFAOYSA-N	401.326	3.835	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)cc1	97476963	BGEAMOLGHYVUSC-KRWDZBQOSA-N	401.938	3.738	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccccc3)cc2F)C[C@@H](C)O1	108455771	RLDVIYAWDMXGEV-HZPDHXFCSA-N	408.477	3.759	10	20	HHCD	
CC(C)Oc1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl	109180875	PFSBHNWMZRGHGI-OAHLLOKOSA-N	403.910	3.850	10	20	HHCD	
C=CCc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1	145531761	DQSUTYGJGNDQNP-GOSISDBHSA-N	410.514	3.517	10	20	HHCD	
Cc1c(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)n(C)c2ccccc12	472190579	NJQWZBIVKZDPNL-NRFANRHFSA-N	420.557	3.577	10	20	HHCD	
O=C(Nc1ccc(-c2nc([C@H]3OCCc4ccccc43)no2)cc1)C1=S=CC=C1	544928404	VXTHLGSSGYVHRD-IBGZPJMESA-N	403.463	3.615	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)cc1	727121770	OYKISTZYOCBDSU-GOSISDBHSA-N	407.580	3.801	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2sccc2-n2c(C)ccc2C)cc1	727391506	HOBNMAIKTGTQTF-HNNXBMFYSA-N	417.556	3.555	10	20	HHCD	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)NC2=S)c(C)c1	727435807	XBEDFCGYCJPSOT-AQTBWJFISA-N	411.502	3.541	10	20	HHCD	
CC(=O)Nc1c(C)cccc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1	729342791	YVVIITLFPVONIG-UHFFFAOYSA-N	406.530	3.738	10	20	HHCD	
CCN(CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(=O)OC(C)(C)C	729617928	UHJQOOKAWZXMME-UHFFFAOYSA-N	404.555	3.684	10	20	HHCD	
CCCC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	731121514	XJDOKDUAYNVIPH-NRFANRHFSA-N	414.594	3.761	10	20	HHCD	
Cc1cc(C(=O)NCCCNC(=O)c2cccc(F)c2)c(C)n1-c1ccc(F)cc1	732133481	BBZHVMVXYWKFQC-UHFFFAOYSA-N	411.452	3.922	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](c4ccco4)C3)cc2F)C[C@@H](C)O1	732241118	BIEVRYFFYRTYBI-NUJGCVRESA-N	401.482	3.731	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1cccc(O)c1	733978568	FOAYDHFQEXQGMM-WJDWOHSUSA-N	418.565	3.752	10	20	HHCD	
FC(F)(F)Oc1cccc(N2CC[C@H](NCc3ccc(N4CCOCC4)cc3)C2)c1	734005066	RRMAZZSVNJHYTR-SFHVURJKSA-N	421.463	3.790	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1	734060462	BEMZHKNVDQHXQE-UHFFFAOYSA-N	411.502	3.903	10	20	HHCD	
COc1ccc(CN2CC[C@@H](NCc3cc(-c4ccccc4)ccc3O)C2=O)cc1	734509688	PAILRWHSFFRJQP-HSZRJFAPSA-N	402.494	3.959	10	20	HHCD	
CCc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2c(O)ccc3ccncc23)CC1	736582762	KHMJNBQFWVOURL-SFHVURJKSA-N	419.525	3.615	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c(C)n1-c1cccc(Br)c1	736586328	FZBYVJKEPIXKIK-USCZKRCMSA-N	423.376	3.838	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c(F)cc1F	740610215	UCXLKZBNGJHQKM-UHFFFAOYSA-N	424.469	3.789	10	20	HHCD	
CC(C)C(=O)c1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	742278046	AHSRSBJMNSLZQC-UHFFFAOYSA-N	400.544	3.945	10	20	HHCD	
CN(c1ccc(CNC(=O)CCn2cnc3sccc3c2=O)cc1)C1CCCCC1	742417119	UVJKLKHDZKWQIE-UHFFFAOYSA-N	424.570	3.933	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H]2CN2CCOCC2)c(C)n1-c1ccc(Cl)cc1	742761658	JUQYBHKSECQSHD-FQEVSTJZSA-N	401.938	3.684	10	20	HHCD	
CN(C)c1ccc(CNC(=S)NCc2ccc(OC(F)(F)F)cc2)cc1F	742991740	YONFACBHSAFZPZ-UHFFFAOYSA-N	401.429	3.955	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1C	743046166	CSTKHKYTNRRAPN-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)c1	743702644	FSKNSOLHKRGSEN-STQMWFEESA-N	412.446	3.581	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1	745511649	FXHXKXRZQPMGEF-DEOSSOPVSA-N	424.589	3.746	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1Br	746222833	MVTUXFWRVYOOIR-UHFFFAOYSA-N	418.335	3.627	10	20	HHCD	
CC(=O)CCc1ccc(OCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	746778991	CUHWNLGHCKXUQC-FQEVSTJZSA-N	424.541	3.691	10	20	HHCD	
CN(C)c1nc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cs1	747497794	BCCIJAMLECAEHN-UHFFFAOYSA-N	401.580	3.977	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1O	750056845	KJOHNNMQUOQVCH-UHFFFAOYSA-N	418.896	3.664	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3nccn3CCc3ccccc3)ccc21	751612879	XVSBKVLNCRJGCU-UHFFFAOYSA-N	403.530	3.508	10	20	HHCD	
O=C(O)CCC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1	758163386	RCDKAUKBSQHYLK-UHFFFAOYSA-N	418.254	3.547	10	20	HHCD	
C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	760209271	SFZZXQWAPNWBPU-QGZVFWFLSA-N	423.561	3.878	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(Br)cc1	760990827	SIMAHEAIQBRQEJ-UHFFFAOYSA-N	409.667	3.773	10	20	HHCD	
Cc1cc(Br)cc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c1O	763401369	GRSWTKWJPHMQLK-UHFFFAOYSA-N	418.740	3.810	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCS(=O)(=O)CC[C@H]3C)c2C)c1	763854760	RZRXLXGCPUXYTL-OAHLLOKOSA-N	420.600	3.508	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)cc1Br	766048846	WWHOJJMIROZMDB-UHFFFAOYSA-N	414.277	3.557	10	20	HHCD	
Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	766248530	KRUQTAUZHXRXJK-UHFFFAOYSA-N	422.573	3.957	10	20	HHCD	
O=C(Cc1ccc(-n2cccn2)cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768915794	NBGMSOKIEWMAQI-HXUWFJFHSA-N	424.932	3.555	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1-c1ccccc1	768917395	YMLBQTOKJNLGGE-IBGZPJMESA-N	424.932	3.934	10	20	HHCD	
CCSc1ccc(Cl)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	769770711	YILXFONLTMVGNX-UHFFFAOYSA-N	400.909	3.781	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(N2CCOCC2)cn1	772405069	HOCIIVWSFFDXNZ-UHFFFAOYSA-N	409.534	3.572	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCC(=O)N=c2cc[nH]cc2)cc1	772695299	SZMSXSJTZUOYJO-UHFFFAOYSA-N	416.485	3.744	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O	773741920	ZQGYQPPUUVXPTB-RISCZKNCSA-N	423.296	3.505	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2cccc(F)c2F)nc1-c1ccccc1	775207863	KUTFHYUPLGRKLH-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1	775218054	IZZIKBPGZKLHBS-NRFANRHFSA-N	411.933	3.824	10	20	HHCD	
CN1CCC[C@H]2CN(Cc3cc(Br)cc(Br)c3O)CC[C@H]21	775741806	QRDWIFANZNTKBI-XHDPSFHLSA-N	418.173	3.833	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)[C@H]3CCN(C)C3=O)n2)c(C)n1-c1ccc(F)cc1	776106394	MNFDGOVIEFIFNI-MRXNPFEDSA-N	412.490	3.774	10	20	HHCD	
CC[C@H](NCc1cc(Br)cc(Br)c1O)[C@@H](O)C(F)(F)F	776253642	MXSJNKAIEQARIE-GXSJLCMTSA-N	421.051	3.709	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)cc1	776900215	QIFMTARDGNKIKN-HRAATJIYSA-N	413.493	3.936	10	20	HHCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cc(Cl)ccc1OC[C@H]1CCCCO1	777647914	INRJWPONMVVIKB-CQSZACIVSA-N	415.870	3.933	10	20	HHCD	
Cc1ccc(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c(O)c1O	780891630	YLVLMTOXFYWVEP-INIZCTEOSA-N	422.403	3.519	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3ncnc4ccc([N+](=O)[O-])cc34)cc2F)C[C@@H](C)O1	782143950	WNTMKSLJDLHXGX-ZIAGYGMSSA-N	411.437	3.903	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	782596046	ZBPJRCTUFQHNCY-UHFFFAOYSA-N	421.251	3.854	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](c3ccccc3)C3CCOCC3)cc2)C1	782759330	PWDDKBVNXYICPU-VWNXMTODSA-N	407.558	3.646	10	20	HHCD	
Fc1ccc(-c2noc(CCCNCc3ccc(N4CCOCC4)c(F)c3)n2)cc1	784622502	RADOMAPGZWRLMU-UHFFFAOYSA-N	414.456	3.574	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1	785439937	XTCUVLKXAJQZDS-UHFFFAOYSA-N	419.500	3.737	10	20	HHCD	
CCOc1ccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	785750833	VOYBYHOPSLERIE-LJQANCHMSA-N	423.557	3.911	10	20	HHCD	
O=C(c1nc(Br)ccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1	792273072	ORHNWTVDXIAKSP-CYBMUJFWSA-N	409.255	3.510	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1	793033130	QNWRTSXDLCUQOA-AWEZNQCLSA-N	412.490	3.774	10	20	HHCD	
COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1ccc(Br)cc1O	797038811	STAHGXMNRZWUCF-LLVKDONJSA-N	414.321	3.881	10	20	HHCD	
CC(=O)C(=O)COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1	808483481	NZQISESMYCZCAM-UHFFFAOYSA-N	419.462	3.772	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNCc1cnn2ccccc12	809700529	INKWKWIENXXVAU-UHFFFAOYSA-N	411.097	3.855	10	20	HHCD	
C[C@@H]1[C@@H](N2CCCC2)CCN1Cc1cc(Br)cc(Br)c1O	809724757	YJRURBMIRZXSQD-ABAIWWIYSA-N	418.173	3.976	10	20	HHCD	
C[C@@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc(N(C)C)cc1	810254796	JAWOVETYDFNGJO-QGZVFWFLSA-N	406.530	3.972	10	20	HHCD	
Cc1nnc(CCNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)s1	811588410	KCANYRAMBYYVSS-UHFFFAOYSA-N	419.348	3.989	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2ccc(N3CCCOC3=O)cc2)c1O	816627437	OABJPKGDFPOHMY-CYBMUJFWSA-N	401.419	3.507	10	20	HHCD	
C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)O1	915754518	PPPDTPISYLCHFR-QZTJIDSGSA-N	423.517	3.656	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)c([N+](=O)[O-])c1	916109865	CDQGVZSTYRSDNO-UHFFFAOYSA-N	424.391	3.566	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1	917708596	CPAAFAPZHZSGAD-KETLTQCKSA-N	413.449	3.677	10	20	HHCD	
O=C(NCCOc1cccc2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1	918091733	CNRWJXXNWZLXHL-UHFFFAOYSA-N	423.488	3.694	10	20	HHCD	
O=C(NCCOc1ccc2ccccc2c1)NCc1ccc(N2CCOCC2)c(F)c1	918198817	HNCORNBEAPAURJ-UHFFFAOYSA-N	423.488	3.694	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(c3ncnc4sccc34)CC2)cc1	918228396	JLSMKTHVGJKDAQ-UHFFFAOYSA-N	424.574	3.569	10	20	HHCD	
CCOC(=O)c1cc(COC)cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1	1117686054	CMBYGUMGWUESQX-UHFFFAOYSA-N	415.509	3.513	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cncc(OCC(F)F)c2)cc1	1322734366	RSIKDTNWNPSBFS-UHFFFAOYSA-N	417.378	3.996	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1	1323362454	FYEXFGDTJKOGIB-QFIPXVFZSA-N	422.573	3.977	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1c(F)cccc1Cl	1323894428	BDUNPFJQXUMHJD-UHFFFAOYSA-N	405.901	3.700	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1	1342289278	ONLSGGMZKQYEPR-MRXNPFEDSA-N	422.312	3.803	10	20	HHCD	
CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	27157540	SJNSTOUQAXMSRN-UHFFFAOYSA-N	400.544	3.743	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCCS(=O)(=O)c1ccccc1	195712216	JDYFDHYXKZDFKL-UHFFFAOYSA-N	402.541	3.749	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@]4(C3)C(=O)Nc3ccccc34)ccc21	681676474	GUOJIGPCVNBAJK-VWLOTQADSA-N	417.509	3.641	10	20	HHCD	
CN(CCOc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726717765	CMLCFULKRZCLTN-UHFFFAOYSA-N	419.472	3.977	10	20	HHCD	
Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1	727358195	CHZPWBIOTSEKOP-UHFFFAOYSA-N	404.923	3.760	10	20	HHCD	
C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(C(F)(F)F)cc1	728333040	HVVFGJGCUPVWLC-JTQLQIEISA-N	403.378	3.701	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3ccc4c(c3)COC4)ccc21	728639215	OHWWTGOCZLSDQG-UHFFFAOYSA-N	407.466	3.974	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cccc(C(F)F)c3)CC2)cc1	729303148	IRWPWOIYWWECSF-UHFFFAOYSA-N	403.473	3.575	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1O	729563000	MSFHAXJTOMNXDZ-UHFFFAOYSA-N	419.481	3.695	10	20	HHCD	
CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N(C)Cc1ccccc1O	732892978	LUFIQDCTTBPWJN-UHFFFAOYSA-N	418.515	3.525	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1	734515990	CASVPSKZXVBICH-UHFFFAOYSA-N	408.546	3.687	10	20	HHCD	
CN(C)c1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)c1	735509561	BEHDDUKSGPIAKQ-QHCPKHFHSA-N	408.546	3.636	10	20	HHCD	
O=C(NCC1(O)CCCCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	735579403	GQDOSUXRJOTSTL-UHFFFAOYSA-N	411.493	3.641	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(Nc4ccc(C)nn4)c3)CC2)cc1	736069379	IUNCABRDZCWMJK-UHFFFAOYSA-N	417.513	3.890	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1SCCc2sccc21	742690344	PEDQUZRFTHKPII-HXUWFJFHSA-N	402.585	3.604	10	20	HHCD	
Cc1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	743045851	BXARERGTFAPOAC-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
CC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCOCC1	746421986	SIOQNXOXJQLXPU-LPHOPBHVSA-N	411.493	3.761	10	20	HHCD	
CNC(=O)[C@H](C)CN(C)[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	747967924	YRZNRZKVQHBFDX-CZUORRHYSA-N	421.488	3.581	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1C	748867042	RDZNURQITBBIQK-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
COc1cc(C)c(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)cc1OC	751289516	BZVHBBBXYDWGSK-LDADJPATSA-N	400.525	3.851	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)Cc1ccccc1F	751465527	HKUYEDYWHBIFCX-UHFFFAOYSA-N	402.285	3.646	10	20	HHCD	
CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N(CC)Cc1ccc(N(C)C)cc1	752705217	QJEWTQZQXWBEHW-IBGZPJMESA-N	417.575	3.537	10	20	HHCD	
CC(C)(C)OCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	752725238	PEUWQZKOYZDTCJ-UHFFFAOYSA-N	409.530	3.857	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2ccc(NC(=O)OC(C)(C)C)nc2)cc1	753590988	IZTDNNBSSDZHBX-UHFFFAOYSA-N	401.463	3.617	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	753963425	KQEAFNWJRCFFMC-SOUVJXGZSA-N	403.498	3.854	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)n2)ccc1F	753978863	WZYRJBVHXJQCFR-UHFFFAOYSA-N	419.503	3.760	10	20	HHCD	
CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3cc(F)ccc3O)CC2)cc1	756495576	LNBIFIWSSQVHNU-HNNXBMFYSA-N	406.523	3.645	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(CCc3cccs3)C1=O)OCO2	758822737	WCBDWXXODJQALN-PXNMLYILSA-N	405.522	3.929	10	20	HHCD	
COCc1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)s1	759860732	CQOSEDVVAQJVLX-UHFFFAOYSA-N	401.454	3.869	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1NC(=O)OC	761753512	RUPWATCSXUBPOO-UHFFFAOYSA-N	407.264	3.995	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1-c1ncco1	766139677	VLRWZHHEBPGGPU-UHFFFAOYSA-N	410.449	3.947	10	20	HHCD	
Cc1cccc(S(=O)(=O)CCCN(Cc2ccccc2O)C[C@@H]2CCCO2)c1	766815602	WGAMUQZVNHLYMU-FQEVSTJZSA-N	403.544	3.546	10	20	HHCD	
COc1cccc(C)c1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	768671577	RACRJSVHKIOGKD-UHFFFAOYSA-N	418.496	3.824	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)c2)CC1	770147237	LYDWIEXPVCFJGT-QHCPKHFHSA-N	409.530	3.639	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN(C)C2CCN(S(C)(=O)=O)CC2)cc1	770322960	BUSBRIPJBSWHCK-UHFFFAOYSA-N	415.603	3.569	10	20	HHCD	
Cc1cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc([N+](=O)[O-])c1F	771731327	KOEXUEJDNQKMGW-UHFFFAOYSA-N	409.483	3.708	10	20	HHCD	
COc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc12	772899001	RJWMQBPYFZYYPJ-UHFFFAOYSA-N	424.472	3.519	10	20	HHCD	
CSCC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn12	773620061	UNCZWNSDIAWIEI-YJBOKZPZSA-N	412.563	3.650	10	20	HHCD	
CCOC(=O)c1oc2c(c1C)[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CCC2	774133142	WOZZSKPRGDKFOX-GOSISDBHSA-N	416.493	3.908	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1O	774911464	GQEFQEXOOMMLMQ-QUCCMNQESA-N	411.502	3.796	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1	774923375	LDHHLFMJUGRDFK-CQSZACIVSA-N	407.436	3.573	10	20	HHCD	
C[C@@H](NCC(=O)NCCc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	775258557	DVWQQKCFCCIKQR-HXUWFJFHSA-N	423.601	3.830	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c1	775371923	VIXGDGJJSVARTC-MRXNPFEDSA-N	408.498	3.872	10	20	HHCD	
CC[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cc(Br)ccc1O	775488704	RIAOJKBYJCEBFQ-SFHVURJKSA-N	419.367	3.542	10	20	HHCD	
Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1	778542262	HCAWSCUBRFRKFM-KRWDZBQOSA-N	422.554	3.683	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1	779022808	HOVINOBKSOHDKC-IFMALSPDSA-N	417.594	3.678	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3ccc(NC(C)=O)cc3)CC2)cc1	781878301	CJSVAWGNCVDTBY-IBGZPJMESA-N	410.562	3.517	10	20	HHCD	
CCn1ncc2c(=O)n(CC(=O)c3cc(C)n(-c4cccc(SC)c4)c3C)cnc21	783322956	JREZTHSOLRFRJF-UHFFFAOYSA-N	421.526	3.625	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1	784031093	WONZAVIHBASVFA-UHFFFAOYSA-N	424.476	3.711	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)cc1	785198740	ZKAMJHOHULQFMB-UHFFFAOYSA-N	405.292	3.704	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@@H](C)c3cccc(C(F)(F)F)c3O)C2=O)cc1	788647460	UOFLGOWEUXRXHX-UGSOOPFHSA-N	408.420	3.871	10	20	HHCD	
CN1CCC(Oc2ccc(CNCc3cc(Br)ccc3O)cc2)CC1	790636429	OYTCWCUSNFBQLZ-UHFFFAOYSA-N	405.336	3.918	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cnn(CCO)c2-c2ccccc2)cc1	792881788	NDIGEEFKRAIJMN-UHFFFAOYSA-N	406.530	3.661	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cnn(C)c2C)nc1-c1ccc(OC(F)F)cc1	794016203	JXTICEJFSGFDTO-UHFFFAOYSA-N	414.459	3.563	10	20	HHCD	
C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2c(c1)OCC(=O)N2	796745574	OZMKQMNEQFUPPM-CQSZACIVSA-N	417.456	3.939	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc2c1CN(c1ccccn1)C2	797638288	PYHGQRNLERTXDS-HNNXBMFYSA-N	404.470	3.766	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCCN3CCCCC3=O)cc2Cl)C1	799921985	TUDKIHXBTAVVJX-KRWDZBQOSA-N	420.985	3.778	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCC3([S@@](C)=O)CCC3)cc2Cl)C1	799986859	HYUNFFFBVCSBBO-YVORESIASA-N	411.999	3.677	10	20	HHCD	
CC[C@](O)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1	800431192	XYYUESAHXXRWPR-OAQYLSRUSA-N	404.963	3.807	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](C4OCCO4)C3)cc2Cl)C1	800719589	LPFKFIILAUECGZ-FUHWJXTLSA-N	421.969	3.871	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc([C@H]3COc4ccccc4O3)n2C)cc1	800730668	RQHDYCCAMDUOPW-OAQYLSRUSA-N	407.518	3.810	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(Br)c(OC(F)(F)F)c1	801173976	IFRQGGJKEFECJB-UHFFFAOYSA-N	406.154	3.689	10	20	HHCD	
Cc1c(NC(=O)NCc2ccc(N3CCCC3)cc2)nnn1Cc1ccccc1F	801807096	CLHZAOFTCCMJAZ-UHFFFAOYSA-N	408.481	3.696	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(c2ccc(OC)cc2)=NO1	802360470	ADDVYMUSDMNJQL-FQEVSTJZSA-N	411.502	3.906	10	20	HHCD	
Cc1ccc(-c2csc(COC(=O)c3cc(NS(C)(=O)=O)ccc3O)n2)cc1	803304424	BRPDEOGHELDBKN-UHFFFAOYSA-N	418.496	3.553	10	20	HHCD	
Cc1ccccc1[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)C	807289435	UTHJPBHLDRZBRY-JOCHJYFZSA-N	405.542	3.891	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1nc(CC)cs1	807931630	HRKOANCQFZNPRN-UHFFFAOYSA-N	403.548	3.637	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Br)nc1	810212835	FMPLUBHGKVZWMJ-ZDUSSCGKSA-N	408.315	3.795	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(F)(F)[C@H](CO)C3)cc2Cl)C1	813156533	JAORVBSOJGTCQC-ZBFHGGJFSA-N	415.912	3.735	10	20	HHCD	
Cc1cccc(Br)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	813467143	DPIHRYCQYQNDLE-UHFFFAOYSA-N	421.310	3.788	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1	817030187	ZZKYYSWQMKUECQ-BENRWUELSA-N	424.478	3.692	10	20	HHCD	
CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C	916456258	AGNBAUBRYGKVSA-UHFFFAOYSA-N	423.435	3.620	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)no1	916686949	XHOIPNJCABRQHA-QGZVFWFLSA-N	408.458	3.964	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(=O)O)c3)cc2F)C[C@H](C)O1	917086028	FOJGCBMARPTRCW-STQMWFEESA-N	403.410	3.658	10	20	HHCD	
Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c12	919969345	VXDBKVUMUWOPBE-UHFFFAOYSA-N	420.513	3.547	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H]3CC[C@@H](C)C[C@@H]3n3cncn3)cc2F)C[C@@H](C)O1	1117039581	BXIPGVYQPUUFLP-JIKKJMIASA-N	401.530	3.550	10	20	HHCD	
CCc1cc(C(=O)OC)ccc1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1	1598231894	PUSBYUZTSYZMJE-UHFFFAOYSA-N	408.479	3.504	10	20	HHCD	
Cc1cc(C(=O)COc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1cccc(F)c1	44204727	ROLHWXRVBIFHQV-UHFFFAOYSA-N	401.459	3.898	10	20	HHCD	
COc1ccc(N2CCCN(c3ccccc3S(=O)(=O)C(F)(F)F)CC2)cc1	108090096	SVQKCBUYZSNUBB-UHFFFAOYSA-N	414.449	3.705	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)CC2)cc1	109291525	DEFQPFPBFWZVCX-HXUWFJFHSA-N	417.550	3.524	10	20	HHCD	
COCc1nc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)cs1	138341454	SOTHQHAWWOSEKW-UHFFFAOYSA-N	402.447	3.876	10	20	HHCD	
COc1ccc(N2CCN(c3cc(C(F)(F)F)nc(-c4cccnc4)n3)CC2)cc1	301312734	JFCBHGBSRRTBSR-UHFFFAOYSA-N	415.419	3.893	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H]3C(=O)Nc4ccccc43)ccc21	481953329	PYXKIKUYPOIRNP-LJQANCHMSA-N	405.498	3.760	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726565519	BCGIBDBDUYICKC-UHFFFAOYSA-N	403.429	3.645	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2nc(O)oc2c1	726565608	HWSHFJGDFHTSAN-UHFFFAOYSA-N	403.385	3.534	10	20	HHCD	
Cc1ccc(S(=O)(=O)c2ccc(COC(=O)c3ccc(C)c(O)c3O)cc2)cc1	727004601	ZGIKUSBZUUXLLP-UHFFFAOYSA-N	412.463	3.904	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C	727121916	WIUKREHBLMUMBN-LJQANCHMSA-N	419.591	3.945	10	20	HHCD	
CCC[C@@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccccn1	730125382	GPFXSJBDGQUVIJ-OAQYLSRUSA-N	413.541	3.703	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(OC)c(OC)cc3F)CC2)cc1	730666725	LASDCDPSJFYBII-UHFFFAOYSA-N	403.454	3.596	10	20	HHCD	
CC(C)CCOCCOC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	733385107	BJXFXDPFUHPXCN-UHFFFAOYSA-N	411.410	3.590	10	20	HHCD	
O=C(NCCCSc1nccs1)c1nn(-c2ccccc2F)c2c1CCC2	733880197	BBUNHANHMFUBEI-UHFFFAOYSA-N	402.520	3.869	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(cnn3C(C)C)c2)cc1	737127752	WWDSBJVJHDKLKG-UHFFFAOYSA-N	407.518	3.718	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(N2CCC(C)CC2)c1	740496255	VRGJKORHZKPGIG-UHFFFAOYSA-N	408.546	3.552	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](O)c3c(F)cccc3F)ccc21	740935101	JHDHTKCLFQDZSR-FQEVSTJZSA-N	402.441	3.646	10	20	HHCD	
CCC(CC)[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCOCC1	742041389	OYCDQLTWBYQJLI-QHCPKHFHSA-N	401.595	3.772	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(Cl)c1	742334749	STPILVBXGXRVTK-CQSZACIVSA-N	416.877	3.889	10	20	HHCD	
COCCNC(=O)Cn1cc(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1	743064779	PYJOMNJARVLTRE-UHFFFAOYSA-N	421.461	3.705	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC[C@H](C)Cc3cccs3)cc2F)CC1	743648388	ZURUUAWVYNDQIT-QGZVFWFLSA-N	418.582	3.707	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)NCc1cccc(OC)c1O)c1ccccc1Cl	745293339	PRFILLAPMMSIKQ-GOSISDBHSA-N	405.926	3.937	10	20	HHCD	
Cc1ccc([C@H](C)C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1	745663819	FWHABFUPYLBROZ-AWEZNQCLSA-N	417.417	3.649	10	20	HHCD	
O=C(NCCCNC1CCCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745904564	RTVNWFGYSIMRQH-GOSISDBHSA-N	424.536	3.868	10	20	HHCD	
Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1NS(=O)(=O)c1ccccc1	751532888	FMNKPQXSZBBTLZ-UHFFFAOYSA-N	412.467	3.768	10	20	HHCD	
CCSc1nn(CN2CCN(c3ccc(OC)c(F)c3)CC2)c(=S)s1	754010672	BTURQQCSDKIEDJ-UHFFFAOYSA-N	400.570	3.713	10	20	HHCD	
COCCOc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	754545667	VKKDNDFBGLXHNI-UHFFFAOYSA-N	401.418	3.740	10	20	HHCD	
Cc1sc(Br)cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1	756160301	OAQDTWFJBVULLL-UHFFFAOYSA-N	415.378	3.898	10	20	HHCD	
C[C@@H](NCc1nnnn1-c1ccccc1)c1cc(Br)cc(Cl)c1O	756490562	PNZCPZHVLODSJF-SNVBAGLBSA-N	408.687	3.635	10	20	HHCD	
Cc1ccc([C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C2CCCC2)o1	756572735	HTJCRFVMZWXMCF-QFIPXVFZSA-N	402.560	3.844	10	20	HHCD	
CCOC(=O)c1ccnc(N(CC)Cc2cc(Br)ccc2O)c1[N+](=O)[O-]	760249087	CTUBQDZDNFPDBT-UHFFFAOYSA-N	424.251	3.661	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCNC(=O)C2)c(C)n1-c1cc(Cl)cc(Cl)c1	761212030	GOZOZYOXZFJTLO-ZDUSSCGKSA-N	423.296	3.653	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc(Cl)nc1	761771483	PLYAGHQKMMPQTA-UHFFFAOYSA-N	412.715	3.977	10	20	HHCD	
COC(=O)c1cn([C@H]2CCCN(Cc3cc4oc5ccccc5c4cc3O)C2)nn1	762462009	SODIZXYPYVYQNY-HNNXBMFYSA-N	406.442	3.507	10	20	HHCD	
Cn1cc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)nc1Cl	764526210	LUPKORCDNBYXLS-UHFFFAOYSA-N	410.864	3.851	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(N2CCOC2=O)c1	765288273	XRBMKPPAYPJJPX-INIZCTEOSA-N	413.493	3.594	10	20	HHCD	
COc1ccccc1N1CC[C@H](CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	765545591	LMVCBZMYVUYXHJ-RTBURBONSA-N	413.537	3.848	10	20	HHCD	
COc1cc(C)nc(CS(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)c1	767665558	OJJFDQGJBLMUJX-UHFFFAOYSA-N	412.511	3.604	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)c1	767957557	KALLHWRSYDGVKS-JTQLQIEISA-N	409.364	3.509	10	20	HHCD	
CC[S@](=O)c1ccccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771069625	ZXBILYMMZJEPSM-UULLZXFKSA-N	420.962	3.568	10	20	HHCD	
COC(=O)c1cccc(NC2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)c1	776236613	AASXNIGFQWMBEX-KRWDZBQOSA-N	424.545	3.886	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)OCO3)n1	778078657	QEWZKUCQXDUAET-UHFFFAOYSA-N	404.469	3.657	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(Br)cc1F	779003965	LUEPIEGGIPUEJG-LBPRGKRZSA-N	412.278	3.810	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nc1Br	781604224	JKDSQJNSUIJBGJ-UHFFFAOYSA-N	406.324	3.970	10	20	HHCD	
CCOC(=O)c1c(C)oc2nc(CN(Cc3ccccc3O)C3CCCC3)nc(N)c12	781886146	HEMHOVHCSNIFDX-UHFFFAOYSA-N	424.501	3.941	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1	782560653	WWNKXWLXYBPUMS-OALUTQOASA-N	416.566	3.922	10	20	HHCD	
O=C1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21	789652120	RYNDYAQSWOMSOU-AUUYWEPGSA-N	400.425	3.743	10	20	HHCD	
CCCOc1cc(OC)ccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	789769022	CZNWUVWAIRZWFK-UHFFFAOYSA-N	412.530	3.623	10	20	HHCD	
COc1ccccc1-c1nc(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)no1	790455565	GUTSYGAIOIMVCQ-UHFFFAOYSA-N	409.442	3.559	10	20	HHCD	
Cc1ccc([C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccn2)cc1	792050345	FWGLFRPOIKSLMH-DEOSSOPVSA-N	416.525	3.815	10	20	HHCD	
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1cc(Br)cc(OC)c1O	793607420	DOLMEWGQTKIXRT-CXAGYDPISA-N	422.319	3.673	10	20	HHCD	
C[C@@H](CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(F)cc1	793936133	DUBPNNXSEZVHLJ-INIZCTEOSA-N	410.445	3.573	10	20	HHCD	
CC(=O)N[C@H](CC1CCC1)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800049293	HIHMITZWMUTDTM-MGPUTAFESA-N	405.970	3.887	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(OC(F)F)cc1F	801860052	PSTCIHQKXKTYDP-UHFFFAOYSA-N	413.371	3.725	10	20	HHCD	
COCCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCO1	802681851	ANJLBXWQPJKDQM-FQEVSTJZSA-N	409.534	3.614	10	20	HHCD	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C2CC2)o1	803686681	OPROCGWRMWUQIR-KKSFZXQISA-N	421.541	3.593	10	20	HHCD	
COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	804368231	AWFHQHDXGNKMDW-LJQANCHMSA-N	412.383	3.801	10	20	HHCD	
CC[C@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1cccc(Cl)c1O	806131539	LJSYJGHIRCQZQK-FQEVSTJZSA-N	402.922	3.986	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)oc2ccccc12	806832073	FYHJVIPAHYCIMH-UHFFFAOYSA-N	407.514	3.861	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)c1ccccc1	807291736	MRIKSCJGTIMIOO-JOCHJYFZSA-N	405.542	3.552	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1	807652222	OOQPNLGZZQVWPJ-JKIFEVAISA-N	423.351	3.588	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cc1	808028725	UGSACSWQEWSVFK-IBGZPJMESA-N	415.456	3.558	10	20	HHCD	
Cc1nn(C)c(C)c1CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)CCC3)c1C	809204487	VOZOHJDDROLVAO-UHFFFAOYSA-N	419.525	3.902	10	20	HHCD	
COCCNC(=O)c1cccc(NCc2ccc(OCc3ccccc3)cc2O)c1	809694754	SHTIIEQIFLLSAQ-UHFFFAOYSA-N	406.482	3.960	10	20	HHCD	
O=S(=O)(CCC1Cc2ccccc2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	809818417	IEDBGVBXOTWYCK-QFIPXVFZSA-N	415.555	3.508	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1	812005529	HRZQHSNHNJZJMF-DEOSSOPVSA-N	411.521	3.563	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCO1	812442933	KHBSCOQYGAUVGC-GOSISDBHSA-N	422.485	3.585	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2(c3ccc(F)cc3F)CCCCC2)c1	857480697	LOBHUPDSLSTCEV-UHFFFAOYSA-N	424.469	3.631	10	20	HHCD	
Cc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1-c1ccccn1	914903907	UGKBMCJPOBYBRF-UHFFFAOYSA-N	419.397	3.804	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)c(C)n1-c1ccccn1	916804168	IMYAUICNKHOBRS-UHFFFAOYSA-N	423.416	3.627	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3cc(C(F)(F)F)nc4ncnn34)cc2F)C[C@@H](C)O1	917086002	DDCHGEKKQWKADH-TXEJJXNPSA-N	424.402	3.508	10	20	HHCD	
C[C@@H](OC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	1318511661	WUWOKVFVWLIPMD-OAHLLOKOSA-N	414.468	3.896	10	20	HHCD	
COc1ncc(/C=C/C(=O)N(Cc2ccccc2)c2ccc(OC)c(OC)c2)cn1	1320415590	BCWHONLFHCUBOX-FMIVXFBMSA-N	405.454	3.749	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(Cc4cccnc4)CC3)ccc21	473906669	USQSBPIVSNBLCA-UHFFFAOYSA-N	420.557	3.694	10	20	HHCD	
COc1cccc([C@@H](C)N2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)c1	729047630	KEUOZHIYXVVUOM-HXUWFJFHSA-N	422.573	3.884	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1	729174586	KYZXOLXENFCXQN-KRWDZBQOSA-N	420.550	3.881	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)cc2I)c1	729280975	XYAHONNBZJTFOJ-VIFPVBQESA-N	415.202	3.636	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	729494974	IPKSSWATKPVBNP-IBGZPJMESA-N	404.555	3.684	10	20	HHCD	
CCc1csc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)n1	729662137	OUMYFQOUZJZADN-UHFFFAOYSA-N	407.407	3.641	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(-c3cccc(Br)c3)c2)c1	730285050	GNJZMUVUQPFCSL-GFCCVEGCSA-N	416.275	3.840	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1	734060394	VTRRFDIDMJECAA-UHFFFAOYSA-N	410.499	3.742	10	20	HHCD	
O=C(Nc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2O)c1)C1CC1	735927383	QRGOBJZJVKHNPU-UHFFFAOYSA-N	420.465	3.942	10	20	HHCD	
Cc1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)nn1-c1ccc(F)cc1	735931416	ZVJXWYWMPRFJTQ-UHFFFAOYSA-N	406.417	3.856	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	741097497	SRXUBDSFFZVLPV-UHFFFAOYSA-N	409.489	3.889	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCN(c2cccc(Cl)c2)C1=O	742057962	XHSNPSXMNXLOII-OAQYLSRUSA-N	411.933	4.000	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)ccc1C	745994909	SSGJYVZGSDTMFO-UHFFFAOYSA-N	416.480	3.598	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1O	750044535	YYVLKYYYTUORQY-QGZVFWFLSA-N	405.857	3.783	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(F)c2I)c1	750537732	UHKLFFOMWOFRCK-VIFPVBQESA-N	415.202	3.636	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)OC)c(C)o3)n2)s1	751126677	BLVGMTXPAMDPIW-UHFFFAOYSA-N	412.514	3.923	10	20	HHCD	
CC(C)(C)c1ccccc1S(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	751228416	QRWUGRWXXGYMBG-UHFFFAOYSA-N	420.550	3.563	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2nccn2CCc2ccccc2)cc1	751607715	VCYRFWQIXFAJKL-UHFFFAOYSA-N	405.546	3.971	10	20	HHCD	
COC(=O)COc1c(C)cc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1C	752519681	XMAWNIRSNSYSKG-UHFFFAOYSA-N	410.514	3.776	10	20	HHCD	
CCC(=O)Nc1ccc(C)c(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	753875665	HBMQVPONBVOJCJ-UHFFFAOYSA-N	414.481	3.845	10	20	HHCD	
CCc1cccc2c1OCC[C@@H]2NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753895025	PEKLSAQZJRHUEA-FQEVSTJZSA-N	413.493	3.752	10	20	HHCD	
C[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc2ccccc2c1O	756645744	JMIAXBQEWYGRET-GFCCVEGCSA-N	402.438	3.510	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(Br)cc3O)C2=O)cc1	756710146	ATPUGHAHEKSQHB-SCLBCKFNSA-N	419.319	3.615	10	20	HHCD	
Cc1cc(=O)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)c[nH]1	762903496	YOZHCBJTSJIWFD-UHFFFAOYSA-N	404.466	3.619	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN(CCO)Cc3cccnc3)c2C)cc1	763573991	GWGDFHHKOWXNQI-UHFFFAOYSA-N	407.514	3.565	10	20	HHCD	
C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1	764816179	FSJOALWHSITBMN-KRWDZBQOSA-N	419.566	3.917	10	20	HHCD	
Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(N2CCOCC2)c1	766534178	CFIMHGASLPAEEB-LJQANCHMSA-N	413.537	3.658	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1CCC(C(F)(F)F)CC1	768181493	YNAOFKLYEQVRDQ-UHFFFAOYSA-N	407.816	3.916	10	20	HHCD	
Oc1cc2c(cc1CN1CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C1)[C@H](O)CO2	768452787	SJSBMDOOCIZYPO-IEBWSBKVSA-N	414.260	3.837	10	20	HHCD	
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCc3ccc(O)c(O)c3)c12	768900298	FBLGDDCWIAPWGK-UHFFFAOYSA-N	407.401	3.721	10	20	HHCD	
Cc1cc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)c(C)n1-c1ccccn1	769731193	TZPQROMLWAIZIM-UHFFFAOYSA-N	403.526	3.947	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1	769762361	FKFMUUVYHBUIFC-UHFFFAOYSA-N	418.421	3.961	10	20	HHCD	
CCS(=O)(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	769785547	DSCHRZHEEFGKBC-UHFFFAOYSA-N	408.951	3.787	10	20	HHCD	
Cc1nc2n(n1)C[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)CC2	772100394	RSPOTGIUSXWSCK-QGZVFWFLSA-N	403.490	3.813	10	20	HHCD	
C[C@@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1Cl	773121038	PABFHIAUNLLDRX-OAHLLOKOSA-N	409.958	3.694	10	20	HHCD	
CC(C)(C)OC(=O)CCCCNC(=O)NCc1ccc(N2CCSCC2)cc1	773507548	WATFESUDURPNEL-UHFFFAOYSA-N	407.580	3.551	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)n2)s1	775143586	CHFMOEDMNAVZRP-UHFFFAOYSA-N	408.452	3.740	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	775258652	IIDJWUOCTSRJGL-WMZHIEFXSA-N	412.574	3.911	10	20	HHCD	
COc1cc(NC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(OC)c1	775390065	BMPJLBGMAHHRPR-MRXNPFEDSA-N	419.909	3.849	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCc2c(Cl)cccc21	775931908	ZFTKHMFCKCAMHP-LJQANCHMSA-N	400.906	3.638	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1Oc1ccccc1	776116469	CHOUCFLTRVXMFV-YTFSRNRJSA-N	409.530	3.711	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@H](c3ccc(F)cc3)c3cnn(C)c3)ccc21	776128232	ZNUHNFSRJARCSX-JOCHJYFZSA-N	407.493	3.530	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(NCc2cc(Cl)cc(F)c2O)CC1	776159689	ZGHGGNMWHAUVQP-UHFFFAOYSA-N	406.885	3.517	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	777419581	QBSHQJBTQCIKHH-UHFFFAOYSA-N	414.502	3.957	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1	779365225	YQEYKDJQUJZIQA-LBPRGKRZSA-N	414.959	3.996	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCCN1CCC(Cc2ccccc2)CC1	779512516	CNSMKWBGXIBACV-PKNBQFBNSA-N	408.542	3.962	10	20	HHCD	
Cc1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1NC(=O)c1ccoc1C	783113275	VQPRUNFAUHDOEA-UHFFFAOYSA-N	409.394	3.600	10	20	HHCD	
Cc1ccc(C(=O)OCc2nnc(-c3ccccc3Br)o2)c(O)c1O	783344267	KXNZKIINLYCBAN-UHFFFAOYSA-N	405.204	3.576	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)c3c[nH]c4ccccc34)cc2)CC1	785031947	MDQIHQCKEXOBJM-SFHVURJKSA-N	418.541	3.646	10	20	HHCD	
Cc1oc2c(CN(C)[C@@H](C)CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccccc1	788376864	IZIRPMBBSPBKCP-KRWDZBQOSA-N	422.525	3.627	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2nc(Br)ccc2Br)cc1	790199506	GZPDNJWQJXTHRD-UHFFFAOYSA-N	413.113	3.603	10	20	HHCD	
Cc1ccc(CN2CC[C@@H](NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)cc1	791010095	DLWSMAMVMCTSMU-OAQYLSRUSA-N	422.529	3.784	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1CCOc2ccccc21	791249401	FYYINNPSABGETP-FQEVSTJZSA-N	410.514	3.941	10	20	HHCD	
CCOC(=O)c1csc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)c(F)c2)n1	792197053	OYNWNGIABRWKST-IBGZPJMESA-N	419.522	3.633	10	20	HHCD	
O=S1(=O)CCC[C@@H](CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)C1	792869540	CWTHFUDNISLZEI-CWWFIGIMSA-N	413.539	3.802	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccc(OC(C)(C)C)cc2)C2CC2)cc1	793819235	ZGJJNOWUIXHLQH-UHFFFAOYSA-N	423.557	3.737	10	20	HHCD	
COc1ccc(N2CCC(NCc3c(C)nn(-c4ccccn4)c3Cl)CC2)cc1	796278323	LDSNTENCGPGMST-UHFFFAOYSA-N	411.937	3.996	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCC(=O)N3CCCCC3)cc2Cl)C1	799870497	OBMIRFZCWDYABD-KRWDZBQOSA-N	420.985	3.778	10	20	HHCD	
COc1ccc(-c2nc(C)c(C(=O)NCc3cccc(OC)c3O)s2)c(F)c1	800519453	QMXXMZNEEFZLMG-UHFFFAOYSA-N	402.447	3.910	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1	801609914	DGVUVIDKRPCARK-UHFFFAOYSA-N	417.531	3.667	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2cc(F)cc(Br)c2)CC1	803090164	WDMDZWQWHKAOOW-LLVKDONJSA-N	408.267	3.778	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(Sc2ccccc2)CC1	805898162	BQVLEVNGZXLFQR-UHFFFAOYSA-N	411.571	3.542	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H]1[C@@H]1CCCO1	806878839	XOZASQHTSRLYKM-LZQZEXGQSA-N	409.477	3.610	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(N(C)C)cc1	807674502	LZOPPPVKOWOKJF-ZEYPLWLESA-N	423.557	3.556	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1	818854517	AIGHNHVTVZZACI-UHFFFAOYSA-N	422.489	3.602	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Br)cc2)cc1	918309406	GUBJKIVRKQQPNP-UHFFFAOYSA-N	418.335	3.892	10	20	HHCD	
CCN1CCC[C@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	918723380	YUEMCPYRCYKJRB-FQEVSTJZSA-N	400.592	3.707	10	20	HHCD	
CC(C)CCOc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1	919840848	ZVWOUQCHGJRCPM-UHFFFAOYSA-N	416.543	3.599	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc4c(c3)CCC(=O)N4CC3CC3)cc2F)CC1	1116677110	QGSZLFBQENQXNG-UHFFFAOYSA-N	422.548	3.879	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](O)c1c(F)cccc1Cl	1318980666	XHWXQPLPORQYTG-SZNDQCEHSA-N	409.908	3.582	10	20	HHCD	
Cc1cc(-c2noc(CCC(=O)Nc3c(Cl)ccc4nonc34)n2)ccc1F	1323706735	HKGPKZRCGXSJHW-UHFFFAOYSA-N	401.785	3.945	10	20	HHCD	
COc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1Br	1342821782	DTZDAHYHQRQEKJ-UHFFFAOYSA-N	420.307	3.616	10	20	HHCD	
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1c(Cl)ccc2nonc12	1342951984	PIIFMGPBIDNKQV-UHFFFAOYSA-N	402.882	3.537	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(OCc4ccc(F)cc4)CC3)cc2F)CC1	1351619899	RIWDELRZVKKYIL-UHFFFAOYSA-N	415.528	3.898	10	20	HHCD	
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	27074855	AVGMXSUJLDEKEY-QFIPXVFZSA-N	406.482	3.617	10	20	HHCD	
O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1ccc(N2CCCC2)cc1	106158428	SVRSVCAJZKQYJG-UHFFFAOYSA-N	409.574	3.626	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCOCCc3ccccc3)CC2)cc1	110462894	CGLATJXGXMBSJN-UHFFFAOYSA-N	411.546	3.613	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@H](O)c3cc(Cl)cc(Cl)c3)ccc21	303679157	IMLOTPATBRIITE-IBGZPJMESA-N	408.329	3.909	10	20	HHCD	
Cc1c(CNC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)n(C)c2ccccc12	473276393	BRANCLOFBCLEMR-QFIPXVFZSA-N	406.530	3.627	10	20	HHCD	
Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1C(=O)N(C)C(C)C	489582166	HSTAPQAHMJIXJC-UHFFFAOYSA-N	410.518	3.972	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](C)c2ccccc2OC(C)C)n(C)c2ccccc12	550745449	IFUSOXXQTIJUNR-QGZVFWFLSA-N	407.514	3.768	10	20	HHCD	
Cc1nn(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)c1Cl	726566737	BXSRMUYXLCRORB-UHFFFAOYSA-N	412.868	3.540	10	20	HHCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(N2CCOCC2)c(F)c1	727264889	ZGYIMXUUTZCPKH-LFIBNONCSA-N	411.502	3.995	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1	727984922	APRXDVHDWFFHJF-ZUNINTSYSA-N	403.592	3.749	10	20	HHCD	
Cc1[nH]nc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1C	728190252	ACCOCFCRJCJMMM-UKTHLTGXSA-N	406.558	3.708	10	20	HHCD	
Cc1ccccc1CC(C)(C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	728221327	YSZXAYLCVQEMNN-OAQYLSRUSA-N	422.573	3.517	10	20	HHCD	
CCc1c(C(=O)N[C@H](C)c2cc(OC)ccc2O)nnn1-c1cccc(Cl)c1	731810890	WSAPTKWNYPZGSR-GFCCVEGCSA-N	400.866	3.688	10	20	HHCD	
Oc1ccc(Br)cc1CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	734843298	ITMLEINTRIUAFA-HOCLYGCPSA-N	404.226	3.779	10	20	HHCD	
CCOC(=O)Cc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	738960373	LMTBPJSNRXMQCW-KRWDZBQOSA-N	411.502	3.512	10	20	HHCD	
CCCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(C)c1	741097367	PADINFDZFYVBPR-UHFFFAOYSA-N	407.514	3.805	10	20	HHCD	
CC(C)CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@H](O)c1ccc(F)cc1	741811682	RNYRSEGZWOGXOS-QHCPKHFHSA-N	415.553	3.542	10	20	HHCD	
O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742798980	FEKMWZFBVWVLNJ-HNNXBMFYSA-N	414.456	3.882	10	20	HHCD	
CO[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	743564518	MXAMJDGZMLQYGC-IERDGZPVSA-N	417.937	3.925	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccnc1Oc1ccccc1	743958401	VGUXJTXYZSZICF-UHFFFAOYSA-N	417.465	3.713	10	20	HHCD	
Cc1ccc(CCCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	745773402	SOORXOCIYLBTJY-JOCHJYFZSA-N	407.558	3.726	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CC[S@@](C)=O)c(C)n1-c1ccc(Br)cc1	749188801	MVSNMINZFMPUJY-OIRASMEMSA-N	411.365	3.744	10	20	HHCD	
CN1CCC(=O)Nc2cc(C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc21	749536984	ZGRXPSJNUNHPBU-UHFFFAOYSA-N	405.454	3.606	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2ccncc2)c(C)n1-c1ccccc1Br	750501661	KWDZLXAMKKQAAQ-IBGZPJMESA-N	414.303	3.715	10	20	HHCD	
CCn1nc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C1CC1	750629032	JZBRLYBCRFKIKP-GJZGRUSLSA-N	415.513	3.855	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	753644323	KRIYKQJJXXQBRY-CMJOXMDJSA-N	417.461	3.913	10	20	HHCD	
Cc1ccc([C@H](C)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)c(O)c1	756533585	FFPQOJZNNWXZDB-FQEVSTJZSA-N	417.594	3.629	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)[C@@H](O)c1c(F)cccc1Cl	759600453	FVPVBKJAMYLRNV-QMTHXVAHSA-N	403.932	3.839	10	20	HHCD	
C[C@@H](NC[C@H](CO)Cc1ccccc1Br)c1cc([N+](=O)[O-])ccc1O	760034120	LAQMFAXJOVMPRT-CHWSQXEVSA-N	409.280	3.565	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cccc4c(C)c(C)[nH]c34)CC2)cc(OC)c1OC	760084155	KZQBJQSPNYIZTI-UHFFFAOYSA-N	423.513	3.773	10	20	HHCD	
Cc1cc(C(=O)NCCOc2ncc(Cl)cc2Cl)c(C)n1-c1ccccn1	762324518	QARCIHHOXCNKEC-UHFFFAOYSA-N	405.285	4.000	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC1CC(OC(C)(C)C)C1	763512560	XJGPNNWTCHKVTL-UHFFFAOYSA-N	403.567	3.648	10	20	HHCD	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	765001268	LPJHTTSPDCOIRY-IEBWSBKVSA-N	411.502	3.878	10	20	HHCD	
CC[C@@H](NCCN1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)c(OC)c1	765403866	VOPDQLOYSQCBKW-JOCHJYFZSA-N	413.562	3.575	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@@H]1CCCN(c2ccccc2)C1	765496563	AWKIBQGGRSCSFG-OAHLLOKOSA-N	404.308	3.623	10	20	HHCD	
CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nnc2n1CCCCC2	765640200	AJLCDEJIFAQMQS-LPHOPBHVSA-N	401.530	3.782	10	20	HHCD	
O=C(COc1ccc(C(F)(F)F)cc1)NCc1cccc(Br)c1O	765734993	BHTVDYDZDIRWMB-UHFFFAOYSA-N	404.182	3.869	10	20	HHCD	
COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)on1	765957162	TZZIXKBKEUZMIS-UHFFFAOYSA-N	420.368	3.732	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	766047451	JACRBXCRKLVDGU-UHFFFAOYSA-N	405.215	3.611	10	20	HHCD	
Cc1cc(C(=O)CSc2nnc(CO)n2C2CC2)c(C)n1-c1ccc2c(c1)CCC2	767214807	MZQHPNKQICYMMW-UHFFFAOYSA-N	422.554	3.977	10	20	HHCD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1cc(Cl)ccc1O	768179546	IEXUBAQFSUSXHH-QGZVFWFLSA-N	405.878	3.725	10	20	HHCD	
C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C)c1ccc(N(C)C)cc1	773017104	SKEODSXTVAXVIO-ZDUSSCGKSA-N	401.561	3.579	10	20	HHCD	
COCc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	773058171	KWHCOMMYTPUMRO-UHFFFAOYSA-N	409.530	3.857	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](O)Cc1ccccc1Cl	773193634	LNNIAPAGJAJFDA-HNAYVOBHSA-N	424.875	3.630	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1	773766986	FNEYJZHRIUCYJH-CYBMUJFWSA-N	407.426	3.574	10	20	HHCD	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	774758756	REXRKIZMCPYPSM-KGVIQGDOSA-N	411.546	3.815	10	20	HHCD	
Cc1cc(C(=O)CN2CCc3nnc(O)cc3C2)c(C)n1-c1ccc(F)c(Cl)c1	775774974	XQHULXAGNYESHB-UHFFFAOYSA-N	414.868	3.623	10	20	HHCD	
Cc1cc(C(=O)N[C@H](c2ccccc2)c2nn[nH]n2)c(C)n1-c1ccc(Cl)cc1	779185111	NNNGXRTUAOKNBS-LJQANCHMSA-N	406.877	3.780	10	20	HHCD	
C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779490054	WNOCTKMYURMDDE-HEWZJLJBSA-N	409.511	3.626	10	20	HHCD	
C[C@](O)(CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	780919946	YQYQGCXNBCMLHS-QFIPXVFZSA-N	404.457	3.671	10	20	HHCD	
CCc1ncsc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782429231	TYTJPGXQYDTHKU-UHFFFAOYSA-N	412.515	3.532	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	782775713	NMIULQAXNRZIHY-UHFFFAOYSA-N	418.563	3.957	10	20	HHCD	
CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2ccco2)Cc2ccccc2O)s1	782966277	LGMHMDYHFQQJOX-UHFFFAOYSA-N	408.457	3.565	10	20	HHCD	
CC(C)n1nnnc1-c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1F	783092676	LDDCJBDQBIASJD-UHFFFAOYSA-N	423.496	3.982	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785434926	XNLUSTGTKASDNO-CVEARBPZSA-N	401.938	3.673	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3ncnn3CC(F)F)c2C)cc1C	786210433	KCVMHUVSJAEJCJ-UHFFFAOYSA-N	415.488	3.882	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(F)c(Cl)c1	786961158	ZDLZJYBOQHENOO-UHFFFAOYSA-N	405.901	3.599	10	20	HHCD	
Cc1cc(C)c(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)c1	787303087	FMOFUBGYTDZXOU-UHFFFAOYSA-N	406.482	3.756	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	788909817	SFTWXIKTSIECOI-RTWAWAEBSA-N	422.573	3.800	10	20	HHCD	
Cc1c(NC(=O)c2sccc2-n2c(C)ccc2C)cccc1N1C(=O)CNC1=O	794279664	KNRPZMDDKTYNNC-UHFFFAOYSA-N	408.483	3.773	10	20	HHCD	
CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1	795555129	RKJCHOVFCLXNIB-UHFFFAOYSA-N	420.487	3.856	10	20	HHCD	
COc1cccc(O)c1CNc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1	796383327	OJNVDJCRAIUJJN-UHFFFAOYSA-N	404.532	3.886	10	20	HHCD	
COc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)c1O	797744769	QYSPYKJUFFHSBD-GOSISDBHSA-N	400.475	3.591	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccccc3S(C)(=O)=O)cc2Cl)C1	800047169	HHTSPAYNDYIAEC-HNNXBMFYSA-N	420.962	3.910	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CCC(=O)c3cnn(C)c3)cc2Cl)C1	800344370	QXCHADHZJOAUBN-HNNXBMFYSA-N	402.926	3.589	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC	801640882	XMQCFRKMBXLRIG-UHFFFAOYSA-N	414.458	3.800	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc4nnc(C(C)C)n4c3)CC2)cc1	801742851	ICRIQPFCBGUVRI-UHFFFAOYSA-N	408.506	3.652	10	20	HHCD	
COc1ccccc1O[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	806633761	CWWKJRWCKCTAGX-QGZVFWFLSA-N	401.482	3.653	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	807671511	RRWGOELHJREDMA-QHCPKHFHSA-N	417.509	3.740	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc(N(C)C)cc1	807677355	NWPJAGOUOXIZFD-SFHVURJKSA-N	405.498	3.752	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807841289	XGFLEERLVSNXOW-GOSISDBHSA-N	403.306	3.962	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)OC2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	808883013	MFUGVIPILHIRGY-UHFFFAOYSA-N	417.412	3.749	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@H]2CCN(c3ccccc3F)C2)c1O	812772352	LBWYOKPGVJDWQS-ZDUSSCGKSA-N	409.299	3.919	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc4c(c3)CCCC4=O)cc2F)C[C@H](C)O1	815062153	GSTWPKNOKLNRAG-HOTGVXAUSA-N	410.489	3.888	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c(F)c1	914790489	PZLQPIJJVWXITQ-UHFFFAOYSA-N	419.459	3.601	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)N2CCc3sccc3C2)c(C)n1-c1ccccn1	914908191	XYJCKHFQPQWLHN-INIZCTEOSA-N	409.511	3.681	10	20	HHCD	
COCC(=O)NC1CCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1	915705338	FHYFWVYTKGVYMC-UHFFFAOYSA-N	411.546	3.585	10	20	HHCD	
CCNC(=O)CNC(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	915916906	WNAVGTSHNIBUJE-KRWDZBQOSA-N	422.451	3.617	10	20	HHCD	
Cn1ncc2c(O)nc(CSc3ncc(-c4ccccc4)n3Cc3ccco3)nc21	919675104	BFQGYUCHEUNNPQ-UHFFFAOYSA-N	418.482	3.866	10	20	HHCD	
COC(=O)c1cc2cc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccc2o1	920872845	XZMCVHPYRCZYTR-OAHLLOKOSA-N	423.469	3.939	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1	1116646184	ZESMXEDETUATCL-GFCCVEGCSA-N	405.376	3.663	10	20	HHCD	
Cc1ccn(-c2cccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)c2)n1	1318029810	NUMFSLHSQPULBS-UHFFFAOYSA-N	415.541	3.965	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnc(-c4ccccc4)nc3C)CC2)cc1	1319734376	YYNUZCLXWCZLTA-UHFFFAOYSA-N	402.498	3.813	10	20	HHCD	
COc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)c(OCCOC(C)C)c1	1323418537	LPEXFWNKVREKRF-UHFFFAOYSA-N	405.838	3.941	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccnc1OC1CCCC1	71928558	UCXMQIXNDKNOGV-UHFFFAOYSA-N	424.545	3.581	10	20	HHCD	
COc1cc(N2CCN(c3cc(C)c([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1OC	302154745	MCLIFFIPWZTMOD-UHFFFAOYSA-N	421.881	3.909	10	20	HHCD	
Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1	303341270	WDBNILQUMIKGIW-AWEZNQCLSA-N	406.527	3.638	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)ccc21	303507327	WFLUSWUNHJGPJP-IBGZPJMESA-N	408.329	3.909	10	20	HHCD	
Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCOc2cc(N(C)C)ccc21	531093262	NWVOOWOJUKVTBL-UHFFFAOYSA-N	400.422	3.668	10	20	HHCD	
COc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cn1	726897706	OTFYNRXLHIXPIB-IBGZPJMESA-N	400.548	3.534	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](c2ccc(F)c(F)c2)C1	727479025	ZMPPZFRGUVOYDJ-NRFANRHFSA-N	401.457	3.848	10	20	HHCD	
C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	728937881	AXOZDEVTLZJMGX-MRXNPFEDSA-N	402.489	3.619	10	20	HHCD	
COC(=O)c1ncn(CC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)n1	732717935	LTEANXNXDCZYAO-UHFFFAOYSA-N	407.257	3.662	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c1	734070280	YYYFCHVKGIDYKD-UHFFFAOYSA-N	416.481	3.798	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(C)n1-c1cccc(C(C)C)c1	736269831	GXDYMTGNJPVNFW-WMZOPIPTSA-N	402.560	3.865	10	20	HHCD	
Cc1csc(Sc2ccc(NC(=O)C(=O)NCc3ccccc3O)c(C)c2)n1	737167839	QXLIBGQXAYSPMG-UHFFFAOYSA-N	413.524	3.872	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCSCc1nc(O)c2ccccc2n1	739734398	SNICUARFLSKXGZ-UHFFFAOYSA-N	410.543	3.650	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C)cc1	740813186	WUEVEKBNNLEACF-UHFFFAOYSA-N	416.952	3.991	10	20	HHCD	
COc1cc(N(C)Cc2nnc(-c3ccc(Br)o3)o2)cc(OC)c1OC	741799269	VRXCKZMDDICDEW-UHFFFAOYSA-N	424.251	3.754	10	20	HHCD	
COCCOC[C@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	742089814	AISVVNHKRVOXJQ-ZDUSSCGKSA-N	409.324	3.638	10	20	HHCD	
O=S(=O)(CCN(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Cl)cc1	742101983	DFPRZWWMDBTAKE-SFHVURJKSA-N	409.935	3.501	10	20	HHCD	
CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)C1	743398285	GIFWOGZOWPPDMM-NHCUHLMSSA-N	406.592	3.533	10	20	HHCD	
O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccco1)Cc1ccccc1O	743429087	ZVISFKJLHWXKLZ-UHFFFAOYSA-N	418.409	3.922	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(OC(F)F)cc1	743472908	SBFYPKFHOWEEIL-MAUKXSAKSA-N	403.473	3.841	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](c3nc(C)cs3)C3CC3)CC2)cc1	745799093	GPEHZODKZRGUAY-LJQANCHMSA-N	400.548	3.879	10	20	HHCD	
CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1c(O)ccc2cc(Br)ccc12	746654357	YABSYMKZYXYKKU-BSIFCXSSSA-N	419.363	3.991	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCOCc1ccccc1	747589996	YNRHLWVYPSIGLQ-UHFFFAOYSA-N	407.308	3.903	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc2ncccc2c1	747855718	AFAIRDNYJHFHQD-UHFFFAOYSA-N	411.464	3.888	10	20	HHCD	
CN1CC[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2ccccc21	750794136	ISEFLWUVMSZWED-ICSRJNTNSA-N	413.949	3.750	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3[C@@H]3CCCCC3=O)c2C)cc1	752904037	DUIYOTIKXGGALR-UNMCSNQZSA-N	410.514	3.703	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2cc(Br)c(OC)s2)cc1	753592178	RPGPYUOCVGIFNU-UHFFFAOYSA-N	400.294	3.707	10	20	HHCD	
CC(=O)N1CC[C@H](CN(C)C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	754858326	MEEPCDHTKLQERR-GOSISDBHSA-N	401.938	3.617	10	20	HHCD	
C[C@H](c1ccco1)N(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1	754911645	UWIWNRCTSXNCEC-OAHLLOKOSA-N	401.482	3.815	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]nc1-c1ccccc1Cl	755199679	DUYAJBCPFFOLRV-UHFFFAOYSA-N	414.868	3.636	10	20	HHCD	
CCN(CC)C(=O)CCC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1	755354977	FVSYZBDVXPZYPA-UHFFFAOYSA-N	411.546	3.943	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	755482918	XXUQWMKYXKZUNY-CVDCTZTESA-N	406.530	3.834	10	20	HHCD	
C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Br)cc1O	756355597	SUYSEFPNAFDRSQ-CJNGLKHVSA-N	411.365	3.940	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)CCC1CCOCC1	757839482	LRTUCWJCHORFDR-INIZCTEOSA-N	420.509	3.538	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2Cc3ccccc3C(C)(C)C2)c1	758375915	UZCJPVNXOYSQTC-UHFFFAOYSA-N	408.542	3.720	10	20	HHCD	
COc1ccc(C[C@H](C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	758511119	MRDJWCLHKIMYED-RCCFBDPRSA-N	414.521	3.943	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1ccc(CN2C(=O)CSC2=O)cc1	758596945	RYJVZBFYIIYFDI-UHFFFAOYSA-N	422.557	3.642	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc4cccc(C)c4o3)CC2)cc(OC)c1OC	759240989	FODFGHWAAIQQPM-UHFFFAOYSA-N	410.470	3.729	10	20	HHCD	
CC1(C)Cc2cc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2O1	759538667	LLJCRLAQHONUAT-UHFFFAOYSA-N	413.493	3.822	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc3n(n2)CCCO3)cc1	761830840	LMFDQVJBGQUESH-UHFFFAOYSA-N	406.486	3.587	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCc1ccc(N2CCCC2)cc1	763547265	DOMGTGMOBJHRNP-HXUWFJFHSA-N	413.562	3.940	10	20	HHCD	
C[C@H](NC[C@H](O)COc1cccc2ccccc12)c1ccc(N2CCOCC2)cc1	765471401	DXFRRZNUJUYQCZ-CVDCTZTESA-N	406.526	3.767	10	20	HHCD	
COc1ccc(N2CCC(NCC3CCN(Cc4nc(C)c(C)o4)CC3)CC2)cc1	765924451	DXBJYBFMFSDUTH-UHFFFAOYSA-N	412.578	3.771	10	20	HHCD	
COc1ccc(N2CCN(CCC(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1	766829613	MWHYVLSZRXZNOT-UHFFFAOYSA-N	403.910	3.508	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCN(Cc2cc(Br)ccc2O)CC1	768252395	LFKAYXNGMIMKOY-UHFFFAOYSA-N	419.319	3.511	10	20	HHCD	
Cc1noc(C)c1CSCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768915512	LOGIOJIBGAFCFT-KRWDZBQOSA-N	423.966	3.664	10	20	HHCD	
COc1ccc(N2CCCN(Cc3ccccc3N(C)C3CCN(C)CC3)CC2)cc1	768999314	UWARCMKULBVZKO-UHFFFAOYSA-N	422.617	3.938	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1	769109324	NZRJALDWCQZUCI-XZOQPEGZSA-N	403.530	3.986	10	20	HHCD	
O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	769306358	SAZSLXKPMULXIQ-UHFFFAOYSA-N	415.484	3.652	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c(C(C)C)nc2sc(C)nn12	769379853	PKWUOASUOJLZPH-UHFFFAOYSA-N	422.938	3.757	10	20	HHCD	
CCOc1ccc(O)c(CN2CCN(Cc3csc([C@@H](C)OCC)n3)CC2)c1	769503279	WKDMOCNCVFUPGS-MRXNPFEDSA-N	405.564	3.663	10	20	HHCD	
CNC(=O)CCOc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	770564113	UCPMEVDFROLQTG-UHFFFAOYSA-N	412.490	3.712	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC2(CS(C)(=O)=O)CC2)cc1	772708774	RKNFAVZWYPTYEH-UHFFFAOYSA-N	414.531	3.723	10	20	HHCD	
COC(=O)C[C@@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCO1	772710070	YCTNCKQFLZWSHV-GOSISDBHSA-N	410.474	3.572	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1F	773004706	MLFQHVJTBPTTCX-GHTZIAJQSA-N	402.558	3.830	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1ccc(N2CCCCC2)cc1	773006412	XUPAUXLISDPCAN-FQEVSTJZSA-N	408.590	3.819	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(N2CCOCC2)cc1	773789501	PMXPQSXLQNAKJX-MRXNPFEDSA-N	406.461	3.610	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1	774923853	NCPPDLAMZHQZOK-OAHLLOKOSA-N	421.463	3.997	10	20	HHCD	
CC(C)(C)[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F	775981837	UYKQOQSURCAUCM-KRWDZBQOSA-N	401.473	3.672	10	20	HHCD	
Cc1ccc(-n2nc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2C)cc1	776030886	BVLJESXBYZXHEF-UHFFFAOYSA-N	419.529	3.990	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)CC1	776860676	QAFKYFBSXONWJP-GHMZBOCLSA-N	403.292	3.811	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)c3ccccc23)c1	778004169	BZFPKUPSLUKOGY-ZDUSSCGKSA-N	414.483	3.552	10	20	HHCD	
CN(C)c1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc2n1	780979471	DKJLWKGRHLLNAN-GOSISDBHSA-N	405.498	3.828	10	20	HHCD	
O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1nccs1	781999428	OGHGNCYHXGDFKP-UHFFFAOYSA-N	411.822	3.612	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1	782701285	CHHMIPNKMOWFAU-UHFFFAOYSA-N	422.529	3.844	10	20	HHCD	
Cc1cc(F)ccc1-n1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	783590185	AFYCHYXJOAYGBW-LJQANCHMSA-N	409.461	3.847	10	20	HHCD	
O=[N+]([O-])c1ccc(NNC(=S)Nc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1	783714068	DNQLOLNUZSQQTR-UHFFFAOYSA-N	417.325	3.715	10	20	HHCD	
O=C(c1cc2ccccc2s1)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	789774581	NJGUNVRDURDUMS-UHFFFAOYSA-N	421.566	3.696	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1csc(CC)n1	791249299	DLEUTQQDCNELJG-UHFFFAOYSA-N	403.548	3.637	10	20	HHCD	
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	792233794	QQZLBMNBXYGLJH-GGAORHGYSA-N	423.557	3.605	10	20	HHCD	
COc1ccc(O)c(CNCc2c(F)ccc(I)c2F)c1	792984388	TWGMJBKWVCFRIG-UHFFFAOYSA-N	405.182	3.573	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1Cc2ccc(F)cc21	793102838	PEJKQCYTGWEWEB-SFHVURJKSA-N	408.395	3.637	10	20	HHCD	
Cc1cc([C@@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n(C)n1	793547769	NBJPVKYMRQJROE-VQIMIIECSA-N	401.555	3.711	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c(O)c1	797627203	GHDCRANDNWDPCM-UHFFFAOYSA-N	410.430	3.562	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NCc3cc4c(cc3O)OCO4)cc2C1	798277016	LWNKKXYTSCHEPY-OAHLLOKOSA-N	413.474	3.510	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)cc1F	804853841	WGUDBQYEPDYWCH-INIZCTEOSA-N	415.509	3.516	10	20	HHCD	
CCN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCCCC1	807768860	PYRBDMWZQUSLEF-INIZCTEOSA-N	423.504	3.554	10	20	HHCD	
O=C(C[C@H](c1ccccc1)N1CCOC1=O)NCc1cc(Cl)cc(Cl)c1O	807838588	YLPBEZBYEUQLNT-MRXNPFEDSA-N	409.269	3.899	10	20	HHCD	
CC(C)(C)OC(=O)N(CC(=O)NCc1cc(Cl)cc(Cl)c1O)CC1CC1	807840370	AMEUZHQTJXVKMI-UHFFFAOYSA-N	403.306	3.962	10	20	HHCD	
COc1ccc(CS(C)(=O)=O)cc1NCc1cc(Br)cc(C)c1O	809695772	SJPLVFOLTZPOCC-UHFFFAOYSA-N	414.321	3.628	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1nccs1	918588867	JSFXPRZYNWHUJX-XFXZXTDPSA-N	409.583	3.502	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)COCc3ccncc3)c2C)cc1F	1258312144	YXDRQFAPZKFFMR-UHFFFAOYSA-N	410.445	3.879	10	20	HHCD	
Cn1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C(F)(F)F)c1	1320209396	JOWUSRSEHWSLIM-CQSZACIVSA-N	415.843	3.797	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(Cc2ccccc2Cl)n1C	1350503754	NFJUHIDMIIMISK-UHFFFAOYSA-N	411.937	3.532	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O)O[C@@H](C)C2	13067009	NRLWQZYIPJJSNJ-UEMWTREESA-N	421.540	3.865	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(-n2cccn2)c(F)c1)c1ccc(N2CCOCC2)cc1	65464064	CNRGJKVMQYAUAB-INIZCTEOSA-N	409.465	3.731	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1	303715486	QRUZPFZVXGKLAE-UHFFFAOYSA-N	415.490	3.535	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C(=O)N3Cc4ccccc4C3)ccc21	477539905	CMJAWZCBHMLYTR-QGZVFWFLSA-N	419.525	3.565	10	20	HHCD	
Cc1nc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cc(C(F)(F)F)n1	530536470	OEMWDXXOOKJOCY-UHFFFAOYSA-N	416.403	3.627	10	20	HHCD	
C[C@@H]1CN([C@H](CNCc2cc([N+](=O)[O-])ccc2O)c2c(F)cccc2Cl)CCO1	725845861	KLOGRUCRDYTOLG-FZKQIMNGSA-N	423.872	3.645	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(Cl)c1	726602121	ZMNOFWDZRBMYES-UHFFFAOYSA-N	416.877	3.889	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3sccc3Br)CC2)cc1	726615021	YOZSGRKDGJUXAX-UHFFFAOYSA-N	424.364	3.987	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCCCc3ccc(O)cc3)cc2)C1	729525364	LVRMCHLTEIRNLQ-NRFANRHFSA-N	423.557	3.513	10	20	HHCD	
Cc1nc(CC(C)C)sc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	731224378	SMPOIERVJURRKE-UHFFFAOYSA-N	401.576	3.789	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1NC(=O)NC(C)(C)C	740819195	KOJIGMOWRBNIAW-UHFFFAOYSA-N	424.545	3.682	10	20	HHCD	
COc1ccccc1O[C@H](C)CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	745901338	HBOJRYSBIPJWIK-MJGOQNOKSA-N	414.502	3.559	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C	752667534	AGSGXXXBZLWPCW-IRXDYDNUSA-N	404.555	3.506	10	20	HHCD	
COc1ccc(-c2cncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)cc1	757612555	IUDRYYUFVXBLDI-UHFFFAOYSA-N	421.472	3.663	10	20	HHCD	
COc1ccc(N(C)CC(=O)NCc2cccc(OCC(F)(F)F)c2)cc1F	757852743	QTPGNNXDWSEFLA-UHFFFAOYSA-N	400.372	3.528	10	20	HHCD	
C[C@@H](NC(=O)CCc1cccc(OC(C)(C)C)n1)c1ccc(N2CCOCC2)cc1	758453984	VUNAYWSMMBWGLT-GOSISDBHSA-N	411.546	3.906	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3ccc(C)c(C)c3)CC2)cc(OC)c1OC	758917422	LPLRQPMLIKGZAO-UHFFFAOYSA-N	415.559	3.848	10	20	HHCD	
CC1CCN(c2cccc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)c2)CC1	760317509	GTNOAGQSOMCDNB-UHFFFAOYSA-N	413.543	3.953	10	20	HHCD	
CCO[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)C	760376461	URRWODRGCXRMAI-GOSISDBHSA-N	402.457	3.609	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2sc(C)nc2CC(C)C)cc1F	761110421	LZPWZGWRHDEVTL-UHFFFAOYSA-N	420.554	3.890	10	20	HHCD	
COCCOCc1cccc(NC(=O)NCc2cccc(Br)c2O)c1	765250997	HWMWJNXLBBYMDL-UHFFFAOYSA-N	409.280	3.639	10	20	HHCD	
COC(=O)Nc1cc(NC(=O)NCc2cccc(Br)c2O)ccc1F	765275735	DHEPWCSXRDZETB-UHFFFAOYSA-N	412.215	3.794	10	20	HHCD	
Cc1cccc(C)c1OC[C@@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl	765320934	AHHJMRTXIBINNJ-ICSRJNTNSA-N	418.965	3.884	10	20	HHCD	
CCn1ncc2c(C(=O)NCCc3ccc(O)c(O)c3)cc(-c3ccccc3)nc21	767774052	JMOQOGRVBKOAAY-UHFFFAOYSA-N	402.454	3.502	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F	769110927	YBAYHUUECHDFFR-INIZCTEOSA-N	423.479	3.730	10	20	HHCD	
O=C(Nc1sc2c(c1C(=O)NCc1ccccc1O)CCCC2)c1cccnc1	769361885	BTAZKPFUGWNUAP-UHFFFAOYSA-N	407.495	3.910	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769669292	WHFXOVFKBOENLT-JTQLQIEISA-N	417.314	3.904	10	20	HHCD	
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	769741246	KDFNFRAUCXGXEL-MJGOQNOKSA-N	402.516	3.562	10	20	HHCD	
CSc1cc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccn1	772100786	JPZUTJNLFZGLMK-UHFFFAOYSA-N	422.501	3.873	10	20	HHCD	
C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCCC2)cc1	775256419	YTWSPBWGHGULTP-WOJBJXKFSA-N	422.573	3.801	10	20	HHCD	
CC[C@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)c(Cl)c1O	775524506	AULZCHGKBUBUNT-HNNXBMFYSA-N	407.363	3.696	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1	776250573	VWOUKEZAWXJXNZ-RTWAWAEBSA-N	424.589	3.746	10	20	HHCD	
O=C(O)CCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1Cl	776751126	ONDUEGFHJJHVEE-UHFFFAOYSA-N	420.270	3.743	10	20	HHCD	
CCOC(=O)[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C)c1C	779187060	YMIZKWANDULJOV-JOCHJYFZSA-N	400.494	3.673	10	20	HHCD	
Cc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1O	779523457	CKHDYNXKODSJDE-LJQANCHMSA-N	413.518	3.762	10	20	HHCD	
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1	784316896	DKQZZFNQFVBPLH-UHFFFAOYSA-N	405.564	3.995	10	20	HHCD	
CCOc1c(Cl)cccc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	785431937	MEJFRJMHADWFGB-GOSISDBHSA-N	401.938	3.730	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCc2cc(Cl)ccc2C1	790220522	XTIDVRMAHHTQPY-UHFFFAOYSA-N	403.885	3.584	10	20	HHCD	
Cc1ccn(-c2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2)n1	793034780	BICMFBGUCWEVRA-UHFFFAOYSA-N	417.513	3.925	10	20	HHCD	
Cc1c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cccc1N1C(=O)CNC1=O	794276235	QTEJTIIVKWRBOD-UHFFFAOYSA-N	402.454	3.711	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccsc2)nc1-c1ccc2c(c1)CCC(=O)N2	795588734	YWJZONLMYDDDDB-UHFFFAOYSA-N	405.526	3.866	10	20	HHCD	
COC(=O)CCSCc1cccc(NC(=O)NCc2ccc(OC)cc2O)c1	797623588	JKRLIGBGIWUGNR-UHFFFAOYSA-N	404.488	3.519	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H](CO)Cc3ccco3)cc2Cl)C1	800719795	NQJQZORCVCDKNC-FUHWJXTLSA-N	419.953	3.820	10	20	HHCD	
CC(C)CC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C	803297607	BGGVFNGVBFFTEN-NQIIRXRSSA-N	417.594	3.668	10	20	HHCD	
CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	804236542	UCYLJJHGIBEDOC-IBGZPJMESA-N	415.534	3.645	10	20	HHCD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	806509883	GZYKTPMSQKIFEX-IBGZPJMESA-N	417.553	3.939	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1	807651443	ZEYZUAFWXGGSDQ-PWRODBHTSA-N	423.557	3.959	10	20	HHCD	
O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	809709828	SIOMBEVMMUJVPN-UNMCSNQZSA-N	401.551	3.547	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)cc(F)c3F)cc2)CC1	815480316	QRVNSHRYVGQCNW-UHFFFAOYSA-N	405.420	3.595	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CCO)C(F)(F)F)c(C)n1-c1ccccc1Br	820305771	SSXAKVBRRAEATA-OAHLLOKOSA-N	419.241	3.900	10	20	HHCD	
CC(=O)NCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	914455332	WAODRGSSMKOYKW-UHFFFAOYSA-N	405.498	3.824	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N3C[C@@H](C)c4ccccc43)CC2)cc1	916196732	GLHLQAWRADVJEB-LJQANCHMSA-N	408.546	3.541	10	20	HHCD	
CCOc1ncccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916632215	RFRJXDIIZSKVIP-UHFFFAOYSA-N	424.423	3.657	10	20	HHCD	
CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2ccccc2Br)c1C	918082811	HHQHBZXKHCTNET-SFHVURJKSA-N	418.335	3.597	10	20	HHCD	
Cc1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)ccc1F	918200052	VATFSVBILJBVDG-IYBDPMFKSA-N	403.473	3.886	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC=C(c2ccc(F)cc2)CC1	918218297	UMJSMWZIVILSHF-UHFFFAOYSA-N	413.468	3.800	10	20	HHCD	
Cc1cccc(C(C)C)c1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	918309441	ZPFGFMIVKSDHLT-UHFFFAOYSA-N	409.530	3.552	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ccc(CS(C)(=O)=O)cc3)c2C)c1	918660097	ZMZBGDCOHXARFS-UHFFFAOYSA-N	410.539	3.877	10	20	HHCD	
O=C(CCc1ccc2c(c1)CCO2)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	1319292966	TUDHQMDXGWMLHB-FQEVSTJZSA-N	414.933	3.694	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(OC4CCOCC4)cc3)CC2)cc1	1323194353	ZNAYNHGDXWOERD-UHFFFAOYSA-N	410.514	3.606	10	20	HHCD	
COc1ccc(OC)c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	48745147	ISXGBUVZECZVDX-UHFFFAOYSA-N	410.436	3.849	10	20	HHCD	
COc1ccc2nc(C)c(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2c1	145611741	ZURCGYKFSIMOPY-MRXNPFEDSA-N	405.498	3.879	10	20	HHCD	
CCc1ccc(N2C[C@@H](C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)CC2=O)cc1	252019006	XHGOVJKCDBBZFY-UNMCSNQZSA-N	422.525	3.515	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)cc1F	303619204	CVVRKKHOHVTQDH-QFIPXVFZSA-N	417.525	3.992	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(-c4nc(O)n[nH]4)c3)ccc21	552261993	ZVICYFQMWIXFPU-UHFFFAOYSA-N	405.458	3.648	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCCC1	725868917	FYPVLTRJEZAVGX-FPOVZHCZSA-N	400.567	3.546	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	726604176	XOYODBRPTVELIK-UHFFFAOYSA-N	402.488	3.605	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(C(=O)c4ccc(F)cc4F)CC3)c2c1	726966277	JVDZIAAWCSJPQB-UHFFFAOYSA-N	412.436	3.790	10	20	HHCD	
Cc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nn1-c1ccc(F)cc1	731017056	SXPZDFSIPLOQOL-UHFFFAOYSA-N	407.493	3.881	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1F	731363355	FGJSNUYZNKQOLF-UHFFFAOYSA-N	413.541	3.531	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)c1	731366464	SGPVFHVREJPWON-CQSZACIVSA-N	410.474	3.568	10	20	HHCD	
Cc1cc(C(=O)NCc2nncn2C2CC2)c(C)n1-c1ccccc1Br	732078437	DZNGUUHPDJBJFB-UHFFFAOYSA-N	414.307	3.713	10	20	HHCD	
Cc1cc(CC(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	733226834	CQBVXOYKZWTLGX-OAHLLOKOSA-N	422.978	3.714	10	20	HHCD	
CCCNC(=O)c1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1	742423201	GGORVAOKZZIRSG-INIZCTEOSA-N	404.461	3.904	10	20	HHCD	
CC[C@]1(C)CCCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1	743860526	KJZPDDFOCCGLJX-PMAPCBKXSA-N	405.558	3.568	10	20	HHCD	
O=C(CSCc1nc(O)c2c3c(sc2n1)CCCC3)NCc1ccccc1O	748355181	UXLFGXAENOLXIK-UHFFFAOYSA-N	415.540	3.531	10	20	HHCD	
CCO[C@H](CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(C)C	749136999	BJHOTYXRQPDYSP-GOSISDBHSA-N	424.453	3.551	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1	749628804	NTLVFQQOFMDUGN-UHFFFAOYSA-N	409.530	3.969	10	20	HHCD	
CC[C@H](C)Oc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OC	749673074	ANLKKBZEIABXMO-IEMQHYRPSA-N	409.529	3.939	10	20	HHCD	
Cc1cc(C(=O)N2CCC(OC[C@H]3CCOC3)CC2)c(C)n1-c1ccc(F)cc1	751908231	DHDAGYKIKBREGY-SFHVURJKSA-N	400.494	3.891	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Cc2c[nH]c3cccc(Br)c23)cc1F	753981928	LZLBIKLLUJABOJ-UHFFFAOYSA-N	404.283	3.994	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCN(c4ncccc4F)C3)cc2)CC1	755156837	SJIAVYNGHYKDSD-IBGZPJMESA-N	411.525	3.535	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c1	755803802	MJIMOBFQSRNZHF-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)c(C)n1-c1cccc(Cl)c1	757958472	HQGACJQNVIRUKE-DENIHFKCSA-N	412.917	3.962	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCCCSc1nccs1	759546288	OJUPOHZERNRYQD-UHFFFAOYSA-N	401.561	3.927	10	20	HHCD	
COc1ccc(Br)cc1CNC(=O)NCCCSc1nccs1	759574814	KUUVRMJIHMNHOK-UHFFFAOYSA-N	416.366	3.896	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(=O)c1ccc(Cl)s1	760455511	TYYWHHOTYPUORO-CYBMUJFWSA-N	413.326	3.724	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(I)c(O)c1	760849647	NNWJVEOAHKZBFA-UHFFFAOYSA-N	408.239	3.849	10	20	HHCD	
Cc1c(NC(=O)C(=O)NCCCSc2nccs2)cccc1C(F)(F)F	761157168	JHCFRHOWAUUVDB-UHFFFAOYSA-N	403.451	3.707	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(COC)n3)c2C)cc1	761868642	ZCJIEGZVOBOHBW-UHFFFAOYSA-N	400.504	3.732	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(Br)c1	761998976	DRZHKAXOZWGURG-UHFFFAOYSA-N	404.257	3.882	10	20	HHCD	
C[C@@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCS(=O)(=O)C1	762670083	CUTFRBHQXUYUKJ-MRXNPFEDSA-N	414.531	3.675	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)c1	763158430	ICJTXEYCUXFTPM-RNODOKPDSA-N	414.893	3.938	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCC3CC(OC(C)(C)C)C3)CC2)cc1	763474966	BDRFLKMBMQRIBG-UHFFFAOYSA-N	403.567	3.947	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	765326768	UAGLWLOGZYQJRQ-UZLBHIALSA-N	424.463	3.633	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1NC(=O)NCc1cccc(Br)c1O	765340899	YNZVJNDNDZWADX-UHFFFAOYSA-N	401.264	3.971	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(Br)n3)cc2F)C[C@@H](C)O1	765472447	QWQKBSHJVBNNMP-BETUJISGSA-N	422.298	3.527	10	20	HHCD	
Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765979454	UGECZGQQNQGTDR-HNNXBMFYSA-N	407.605	3.661	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1-c1ncco1	766364341	GTXOGIYGAFEKDE-UHFFFAOYSA-N	418.497	3.846	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cccc4cccnc34)cc2F)C[C@@H](C)O1	768516578	VUBRKZCEZYVKGZ-CALCHBBNSA-N	423.488	3.683	10	20	HHCD	
COCCOc1ccccc1N1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	768552781	QIPQSLPEZZMHJY-UHFFFAOYSA-N	418.921	3.596	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)OCc3ccccc3)cc2F)C[C@H](C)O1	768977844	GKEAORZWAHMDSN-BZSNNMDCSA-N	400.494	3.661	10	20	HHCD	
CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccc(F)cc1	769705335	JGBZOEJERRMGDV-UHFFFAOYSA-N	406.460	3.670	10	20	HHCD	
CCSCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)no1	771289995	MTFJCBSTLFKPRD-SFHVURJKSA-N	403.548	3.815	10	20	HHCD	
C[C@H](NCCCNC(=O)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl	772981490	QBKORYXTHMOPHC-INIZCTEOSA-N	419.928	3.786	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(Br)nc3C)CC2)cc1	774062827	UQNDANSEACMZMD-UHFFFAOYSA-N	419.323	3.905	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1	774486115	VWPMWDBOIAEGHB-ZWKOTPCHSA-N	410.562	3.912	10	20	HHCD	
COC(=O)N1CCC([C@H](C)NC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	777254289	HENDVXKWGBPDIN-INIZCTEOSA-N	415.490	3.564	10	20	HHCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCO1	778753265	ORJZWYOHBQLKBY-RBBKRZOGSA-N	403.567	3.648	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1	778927991	YFKYIOPZDMYPNV-KRWDZBQOSA-N	406.866	3.633	10	20	HHCD	
CC1(NC(=O)OC(C)(C)C)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	780298077	NNTVICSGJIWYNR-UHFFFAOYSA-N	416.566	3.876	10	20	HHCD	
Cc1cc(CN(CC(C)C)C(=O)c2ccc(C)c(O)c2O)nc(N2CCCCC2)n1	781002361	TVLMEGIHHWGVEC-UHFFFAOYSA-N	412.534	3.793	10	20	HHCD	
COC(=O)c1sc2nc(/C(Cl)=C/C3=S=CC(Cl)=C3)nc(O)c2c1C	782304200	RPTJLUHYMWUIHL-WTKPLQERSA-N	401.296	3.916	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1	782703552	CVMOOMVIZXAHQS-UHFFFAOYSA-N	412.534	3.662	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccnc1N1CCCCC1	783316780	MORFNWYMNKWGSY-UHFFFAOYSA-N	423.561	3.514	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(C)cc1F	785192407	LPSMYHXPPKLTJJ-UHFFFAOYSA-N	409.255	3.589	10	20	HHCD	
Cc1ccc([C@H]2C[C@@H](C)N(C(=O)C(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1	788935052	AMWNWTVESDMKGW-KNQAVFIVSA-N	405.542	3.616	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccn(CC(F)F)n2)c(C)n1-c1cccc(F)c1	789151872	XVWPDSYKONEJGI-UHFFFAOYSA-N	405.376	3.735	10	20	HHCD	
CCOCCOc1c(Cl)cccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	789836504	VFPGJZKCGQUQBJ-ZDUSSCGKSA-N	408.882	3.919	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nc(-c2ccc(Cl)cc2)no1	792178836	GIQONTLUAFKXAA-MRXNPFEDSA-N	411.937	3.993	10	20	HHCD	
C[C@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	796544946	GJBKVBOQPZZTOU-LJQANCHMSA-N	405.542	3.803	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2)cc1	798363130	TWVVOGAVYZGNNE-HSZRJFAPSA-N	423.557	3.805	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3cn(Cc4ccccn4)nn3)cc2Cl)C1	800048062	VHDIHTUBCMBPDI-MRXNPFEDSA-N	424.936	3.541	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3cccs3)cc2Cl)C1	800344246	OXUVRWAQMWQGQY-AWEZNQCLSA-N	405.951	3.684	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1	802263576	GOPUOOGQGMIPQE-HXUWFJFHSA-N	409.530	3.753	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)ccc1OC(F)F	802609426	BKJLOXOKDQIPRU-UHFFFAOYSA-N	422.428	3.770	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N(CC(C)(C)C)CC(C)(C)C)CC2)cc1	804318036	WXLRGRBBLDRUAM-UHFFFAOYSA-N	417.594	3.701	10	20	HHCD	
CC[C@@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805023242	RDDKMGWBCHZOFV-QFIPXVFZSA-N	408.546	3.544	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(Cl)s1	806227337	LGSIJZHEDKCWIP-SNVBAGLBSA-N	403.982	3.724	10	20	HHCD	
COc1ccc(CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)[C@@H](C)C2CC2)cc1	807097642	PTSRZNXDQVZHMP-SFHVURJKSA-N	423.557	3.513	10	20	HHCD	
CCN(CC)Cc1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	807169044	FGIFECBJUNEBIZ-UHFFFAOYSA-N	424.589	3.707	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCC1(c2ccc(F)cc2Cl)CC1)c1ccc(N(C)C)cc1	807669962	AMRFIMGRFDOHTH-AWEZNQCLSA-N	417.912	3.570	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(N(C)C)cc1	807674500	LZOPPPVKOWOKJF-HARLFGEKSA-N	423.557	3.556	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)Cc1cccc(Cl)c1	807905562	SSJRZPNIDMTMIX-UHFFFAOYSA-N	415.965	3.750	10	20	HHCD	
Cc1cnc([C@H](C)CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)s1	808823772	VCXHYCCNXPYLLA-OAHLLOKOSA-N	415.559	3.738	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c[nH]c(C(F)(F)F)c1	815835386	RFGBMNJLMPMIQK-AWEZNQCLSA-N	401.816	3.787	10	20	HHCD	
OCC1([C@@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)C2CC2)CCOCC1	816656971	HPWZTHZHVOGIFO-VWLOTQADSA-N	406.570	3.907	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(C)c(Br)c3)CC2)cc1	897197126	ULZPYZFPUXPUSM-UHFFFAOYSA-N	418.335	3.527	10	20	HHCD	
C[C@@H]1CN(c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2)C[C@@H](C)O1	914866295	FLZGOHCVSCNVIM-QZTJIDSGSA-N	408.546	3.566	10	20	HHCD	
O=C(NCCc1cnn(-c2ccccc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916243251	SJDAIIZMGANZGI-QFIPXVFZSA-N	420.513	3.511	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCCOc3ccc(C(C)=O)cc3)CC2)cc1	917821707	UGQBHNUREJUKCC-UHFFFAOYSA-N	410.514	3.796	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)c2C)cc1	918675634	DVUQNYFTOUNNBG-QFIPXVFZSA-N	421.497	3.617	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)COCc1ccccc1	919800090	VZDPUEYKRQNYQX-LJQANCHMSA-N	413.587	3.892	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)c(C)n1-c1ccccn1	920960684	SDJAQHGGTBCKKL-INIZCTEOSA-N	404.470	3.937	10	20	HHCD	
C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C(=O)OC(C)(C)C	1319290191	MTXPGFCNXYPOLG-IRXDYDNUSA-N	409.546	3.816	10	20	HHCD	
Cc1cc(NC(=O)NCc2cccc(Br)c2O)ccc1N1CCCC1=O	1324640867	BHQXXVLCFZJVEW-UHFFFAOYSA-N	418.291	3.912	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H](C)CC3CCCCC3)CC2)cc(OC)c1OC	1337858095	ZZMBKSXGVOIEKO-QGZVFWFLSA-N	404.551	3.968	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC1CCCC1)c1cc(O)c(O)c(Cl)c1	1795419546	DFJKPSDETGBQGJ-BJWYYQGGSA-N	420.937	3.973	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1	7184937	KOEYSWFBOWTGLP-UHFFFAOYSA-N	402.501	3.679	10	20	HHCD	
C[C@H](NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1cccs1	10876723	JFQIRELNPMSDNF-ZDUSSCGKSA-N	419.458	3.558	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCCCCc2ccc(F)c(F)c2)n(C)c2ccccc12	512330933	WEDQWGOHRVHUDL-UHFFFAOYSA-N	413.468	3.520	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(C(=O)NC(C)C)cc3C)CC2)cc1	726697882	URBHLVUKTXXHFE-UHFFFAOYSA-N	424.545	3.932	10	20	HHCD	
Cc1cccc(NC(=O)N2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)c1	728523819	XSJLTZOKNQFVCX-UHFFFAOYSA-N	417.513	3.787	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)N[C@H](C)c3cc(OC)ccc3O)cc2)n1	728953828	CTOLMIMADAJXKH-CQSZACIVSA-N	410.474	3.616	10	20	HHCD	
COc1ccc([C@H](CNC(=O)N[C@H](C)c2cc(OC)ccc2O)N2CCCC2)cc1	729041417	RBEVQLJJFLOIFQ-IERDGZPVSA-N	413.518	3.607	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@H](c2cccc(F)c2)C1	729495914	AYUXFZQFHKLJKV-SFHVURJKSA-N	401.457	3.501	10	20	HHCD	
COCCOc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc1	730593983	XRGFMSCXTKFKLU-JXAWBTAJSA-N	400.525	3.551	10	20	HHCD	
CC1CCN(C(=O)CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)CC1	731035503	ZDMLTBXHVXSGKH-UHFFFAOYSA-N	401.551	3.722	10	20	HHCD	
Cc1cc(O)c(CN2CCN(CCNC(=O)c3ccccc3F)CC2)cc1C(C)C	731206800	GQYNFILCBMUEBW-UHFFFAOYSA-N	413.537	3.511	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1F	731399893	ZPZWRVXQKUKDJF-UHFFFAOYSA-N	407.511	3.538	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1ccc(F)cc1Br	733900163	VGTXFYUHDJQMPJ-UHFFFAOYSA-N	411.343	3.505	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1	734662606	BSKWQKUIHCCMIC-UHFFFAOYSA-N	417.513	3.708	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(CSc3ccccn3)c2)cc1	737079924	VFRJKJSDPUBQMD-UHFFFAOYSA-N	420.538	3.695	10	20	HHCD	
COc1ccccc1[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	738459878	IBQOGEADWCMBKD-ICSRJNTNSA-N	409.530	3.792	10	20	HHCD	
CCOC(=O)Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	738959871	JPKJDJXWPGKFRE-FQEVSTJZSA-N	412.486	3.711	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(Oc4ccncc4)c3)c2)CC1	739768975	YNHWLLAVOGTKTP-UHFFFAOYSA-N	416.481	3.828	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)c1O	741403691	KFENGKFPRWFVRB-UHFFFAOYSA-N	400.475	3.836	10	20	HHCD	
CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(N2CCOCC2)cc1	741729672	CFOGIHUFZHVXSH-UHFFFAOYSA-N	407.436	3.613	10	20	HHCD	
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805297	IQZRNIOFIFBEEF-VQIMIIECSA-N	423.504	3.554	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)n1	743705344	RRQSMWUDQSMIPD-AWEZNQCLSA-N	422.485	3.890	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)NCc3ccc(N(C)C)cc3C)n2)c1	743705629	UOQGOEJSUHQNIC-OAHLLOKOSA-N	409.490	3.680	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)C(F)(F)F)c2C)cc1	745619639	MZGCDYDRFDJYEF-GFCCVEGCSA-N	411.376	3.805	10	20	HHCD	
COCCN(Cc1cccc(C(=O)N2CCCCC2)c1)c1ccc(OC)c(OC)c1	746474601	IIBZNLVRURVEIW-UHFFFAOYSA-N	412.530	3.983	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	747212829	GUTPNWLBIBESNP-UHFFFAOYSA-N	422.464	3.771	10	20	HHCD	
COc1ccc(-n2c(C)cc(CN(C)C(=S)NCC(C)(C)CN(C)C)c2C)cc1	749833418	ODRJIARGEWYEFC-UHFFFAOYSA-N	416.635	3.997	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](Oc2ccccc2Cl)C1	752157013	UHEQTFVUEXBUFH-IBGZPJMESA-N	415.921	3.540	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)cc1	752895843	SCHPSCKUPDDKNE-LJQANCHMSA-N	402.926	3.602	10	20	HHCD	
CCc1noc(CC)c1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755356206	FNRPGZXKAHIYLF-CQSZACIVSA-N	407.461	3.729	10	20	HHCD	
COc1cc(OC)c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F	755833524	NHVHJCQRWKHEKS-CQSZACIVSA-N	403.454	3.562	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)c1	756106341	ONHVQGULNSOCPK-LBPRGKRZSA-N	403.504	3.721	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cccc(NC(=O)c3ccccn3)c2)c1	756434185	JJNYPGFUZBDVLN-HNNXBMFYSA-N	405.454	3.677	10	20	HHCD	
C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc(Br)c(F)cc1O	756435319	ZKETWTOWQDJSTI-NSHDSACASA-N	416.312	3.689	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncc(Br)s1	756926438	GZZOJJXJZBUZGG-NSHDSACASA-N	414.344	3.857	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCc3n[nH]cc3C2)cc1	756987481	ICNHNUVHUDKZSI-SFHVURJKSA-N	404.514	3.823	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1[N+](=O)[O-]	759155868	AJYPRLGPLMYXEZ-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(Cl)n1	761696536	LIEFJUTVSAFILK-BETUJISGSA-N	422.888	3.818	10	20	HHCD	
CSc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)c(Cl)c1	762281121	IGTPWQQCNDTMGW-UHFFFAOYSA-N	411.892	3.856	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1cncc2ccccc12	765638536	LTAKISBCQLQLCY-UHFFFAOYSA-N	412.873	3.728	10	20	HHCD	
Cn1ccnc1SCc1ccc(C(=O)NCc2cccc(Br)c2O)o1	765727378	NCYGYXACHBQHIR-UHFFFAOYSA-N	422.304	3.704	10	20	HHCD	
COCCOc1cc(C)ccc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	766560364	RKNQANUDANREGR-GOSISDBHSA-N	402.510	3.847	10	20	HHCD	
CC(C)(CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccncc1	768950279	OOIYUJLHFWUMRQ-QGZVFWFLSA-N	418.488	3.929	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)c1	769928256	KWQAVMXJPBUOTB-NRFANRHFSA-N	422.506	3.704	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@@]4(C3)OCc3ccccc34)CC2)cc1	771313965	AKOUTPRRAQSKLR-DEOSSOPVSA-N	407.514	3.505	10	20	HHCD	
Cc1ccc(-n2cc(C)cn2)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	772456873	GCBKMNOCGQSAQA-UHFFFAOYSA-N	423.492	3.787	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)n(-c4ccccc4)n3)CC2)cc1F	772574126	BYSSASLSCIYJOK-UHFFFAOYSA-N	409.465	3.683	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(N(C)C)cc1	773623557	KUZTXGCSKRDQIK-GOSISDBHSA-N	410.562	3.522	10	20	HHCD	
COc1ccc(O)c(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1	775670190	VXBBABNFOBXOBC-UHFFFAOYSA-N	412.511	3.834	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)c1ccc(N(C)C)cc1	775693207	QWXKBCXCAYMCFJ-HNNXBMFYSA-N	409.490	3.613	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCc1ccc(OC)cc1	777829399	VZCOHPNORPZROA-UHFFFAOYSA-N	405.878	3.579	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	778674167	KOOWKAKETHLOHA-IEBWSBKVSA-N	414.550	3.508	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c1O	779493616	FYCKBTFJAUSMDX-UHFFFAOYSA-N	401.463	3.747	10	20	HHCD	
CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779523699	DSHOIBBISFNNOY-AMGQUURNSA-N	402.441	3.685	10	20	HHCD	
O=C(Nc1ccc(-n2cccn2)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1	782897182	VOPCFCJTCKOKSC-UHFFFAOYSA-N	418.497	3.878	10	20	HHCD	
COc1ccc([C@@H](CCn2cncn2)NCc2ccc(N3CCSCC3)cc2)cc1	783224183	OXEMYNANEZWNKN-HSZRJFAPSA-N	423.586	3.761	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(c3ncccc3F)CC2)cc1F	784079891	RGGJEMOVTIWOKW-UHFFFAOYSA-N	417.504	3.628	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc(C)ccc1C	785196517	SIGFQSDQVGZSCW-UHFFFAOYSA-N	405.292	3.759	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc4cc[nH]c34)cc2F)C[C@@H](C)O1	786110556	ANADDDVXJZFLMR-IYBDPMFKSA-N	410.493	3.920	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnn(C(C)(C)C)c1	791249938	MUHUEVBHZPKGQW-UHFFFAOYSA-N	400.523	3.640	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)c1ccc(N(C)C)cc1	792274881	ZTRHICSBWFSMQB-LLVKDONJSA-N	424.726	3.984	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1	793690961	ZDHWYVUXKCIKOR-QMHKHESXSA-N	412.486	3.627	10	20	HHCD	
C[C@H](NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1	798408843	KHSHJMXHTAJKRU-KRWDZBQOSA-N	406.530	3.846	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1	801545195	JORHSOXGVHGYSG-MRXNPFEDSA-N	407.507	3.770	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N(Cc2cccnc2)C2CC2)cc1)C1CCCCC1	803676763	PZVXWKIQQCOORK-UHFFFAOYSA-N	420.557	3.658	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N3C[C@@H](C)C[C@H]3c3cccnc3)cc2)CC1	805023152	PHTPNRSSQIGFDF-CVDCTZTESA-N	420.557	3.544	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)CC3(c4ccccc4)CC3)cc2)CC1	805025333	PWRXKHQLCSZVCF-UHFFFAOYSA-N	419.569	3.729	10	20	HHCD	
C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)NCCCSc1nccs1	806276229	LMTNXMAPIICQRF-YOEHRIQHSA-N	403.573	3.571	10	20	HHCD	
COCCCOc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1OC	806622917	BLMPFGJXYXDNLY-UHFFFAOYSA-N	401.507	3.807	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c(C)c1	807387575	OMBFNIDOCKIUNZ-UHFFFAOYSA-N	421.291	3.507	10	20	HHCD	
CS[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	807763137	PQNROMOMGPBSQC-BHYGNILZSA-N	424.010	3.593	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	807837125	CBBLPQNXVRQJDL-UHFFFAOYSA-N	407.213	3.723	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(C4CCCC4)cc3)cc2)C1	810182360	CAZPEPAHQXWPMZ-QFIPXVFZSA-N	405.542	3.976	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3ccc4ccccc4n3)cc2F)CC1	813444244	OKURLCKXZUOXOE-UHFFFAOYSA-N	420.532	3.765	10	20	HHCD	
Cc1nc(CN2CCC(C(=O)NCc3cc(Cl)cc(Cl)c3O)CC2)cs1	813684326	HQXPJCNRLGYFHI-UHFFFAOYSA-N	414.358	3.992	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)cc1	916504843	GIYSRSWJHXDKPN-UHFFFAOYSA-N	423.561	3.689	10	20	HHCD	
O=C(NCc1cccc(Cn2cccn2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	918131495	IKJIDWPJKSIEFH-JOCHJYFZSA-N	420.513	3.528	10	20	HHCD	
CC1CCN([C@@H](CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(C)C)CC1	920921231	AOGUFRRQDIJHDK-REWPJTCUSA-N	416.610	3.640	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3C)n2)cc1	1115966585	XJZZGUPDYXHBQG-UHFFFAOYSA-N	415.540	3.864	10	20	HHCD	
CCc1ccccc1NC(=O)CN1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1319925231	RYZLOLRPQVJTOI-UHFFFAOYSA-N	406.574	3.606	10	20	HHCD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	57376894	GWOUXTYZCQSZIO-GASCZTMLSA-N	416.541	3.938	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1	108702914	LFWBNMVDWQPPAN-HSZRJFAPSA-N	416.525	3.796	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(I)cc2Cl)c1	303537690	HFMZOFORAFJSJE-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)c3ccccc3S(C)(=O)=O)ccc21	443961300	LHMLRCMXBYKYFI-UHFFFAOYSA-N	414.527	3.585	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCc2cccc(COC(C)(C)C)c2)n(C)c2ccccc12	557393017	AQFOJWIKOFNJKL-UHFFFAOYSA-N	421.541	3.734	10	20	HHCD	
CCN(CC)C(=O)[C@H](Cc1ccccc1)NCc1cccc(Br)c1O	725841405	FHKAIOJVPPKGSV-SFHVURJKSA-N	405.336	3.724	10	20	HHCD	
COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(CCc2ccccn2)C1=O	726196831	CZAFRHLPTVITGL-WOJGMQOQSA-N	416.524	3.551	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1Br	732049001	GVSDNBPAVKZWIA-SECBINFHSA-N	412.196	3.861	10	20	HHCD	
CCc1ccc2c(c1)[C@H](CCNC(=O)c1cc(C)n(-c3ccccn3)c1C)C(=O)N2	732114200	NFCAKGMSNPPJOU-SFHVURJKSA-N	402.498	3.907	10	20	HHCD	
Cc1cc(C(=O)N(C)CCN(C)C2CCN(C)CC2)c(C)n1-c1cccc(Cl)c1	733164260	NVLXHTUCZGXEAN-UHFFFAOYSA-N	416.997	3.846	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1ccc(N(CC)CC)c(F)c1	736077780	NEONDWJATCYATN-JXFKEZNVSA-N	406.546	3.508	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3cc(-c4ccccc4)on3)CC2)cc1	736348811	YNUOYTRFEGMMPD-UHFFFAOYSA-N	423.538	3.932	10	20	HHCD	
O=C(Nc1ccccc1)C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	740919627	DSLBIYSDUZGUNO-UHFFFAOYSA-N	404.514	3.623	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1	741088850	DMOHFVIZBNAVIY-QFBILLFUSA-N	404.555	3.506	10	20	HHCD	
COc1ccc(S(=O)(=O)NCCCSc2nccs2)c(Cl)c1Cl	742297683	ZVNRIWPJHITBHY-UHFFFAOYSA-N	413.373	3.919	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCc3cccs3)cc2F)C[C@@H](C)O1	743554446	FEADUPYWQONTOE-HZPDHXFCSA-N	405.539	3.885	10	20	HHCD	
Cc1csc(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	745562818	ARDURDHXPSBMER-CQSZACIVSA-N	410.490	3.564	10	20	HHCD	
C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)CN1CCCCC1	745681789	VTKZGSUTHJPZQA-ZWKOTPCHSA-N	424.536	3.678	10	20	HHCD	
CC(C)CCOc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1	746038189	KXRLACKFAKGJPC-UHFFFAOYSA-N	409.530	3.749	10	20	HHCD	
CCC(=O)N1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)C1	746175085	VUMMZDRRWPXOCN-IBGZPJMESA-N	409.530	3.553	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F	746799053	YQCIZYYTKSQMJF-UHFFFAOYSA-N	424.442	3.838	10	20	HHCD	
Cc1ccc(C)c(-n2ncc(NC(=O)NCc3ccc(N4CCOCC4)cc3)c2C)c1	747365497	OFPGPMFYVURMLN-UHFFFAOYSA-N	419.529	3.956	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cnn(Cc4ccncc4)c3)c2C)cc1	749632607	OUUOPLRPGXMBMK-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(-c2nccs2)cc1	749730772	VJTXJOGFRUGBQP-UHFFFAOYSA-N	404.542	3.504	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1	751060903	LHIAYUHYQUAUCH-UHFFFAOYSA-N	417.347	3.880	10	20	HHCD	
COc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)Cc1ccccc1O	751236427	VDWZRWZWPQYOKE-UHFFFAOYSA-N	420.712	3.637	10	20	HHCD	
COC(=O)COc1ccc(N(C)C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	753287905	RLHATCZXSGAISW-UHFFFAOYSA-N	422.481	3.931	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CC2)cc1F	753732522	UYFBQTPLHYSXTC-UHFFFAOYSA-N	412.505	3.540	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(SC)cc3)CC2)cc1F	753860993	KYJBBXKPXWNRHY-HNNXBMFYSA-N	403.523	3.705	10	20	HHCD	
COc1ccccc1C(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761182039	WFDPJRKWCMKGIC-UHFFFAOYSA-N	402.878	3.796	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)NC1Cc2ccccc2C1	762583013	UZKFPKZMPSIWOI-UHFFFAOYSA-N	401.457	3.723	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCS(=O)(=O)CC[C@@H]3C)c2C)c1	763854757	RZRXLXGCPUXYTL-HNNXBMFYSA-N	420.600	3.508	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1nnc(-c2ccccc2)s1	765214782	QRPUATHQTGWBGC-UHFFFAOYSA-N	405.277	3.995	10	20	HHCD	
COc1ccc(N2CCC(NCCc3ccc(OC)c(OC)c3OC)CC2)cc1	765678864	BXBCAUAQZIXZNH-UHFFFAOYSA-N	400.519	3.522	10	20	HHCD	
C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2cnnn2)cc1	766238721	XUFOHFIZIPCSBV-WBVHZDCISA-N	414.460	3.583	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1ccccc1O	769365765	SBAMDKPAWWNCLS-WJDWOHSUSA-N	418.565	3.752	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cn(C)nc3-c3ccccc3)cc2F)C[C@H](C)O1	772240758	MMBBSYKDRZGFJM-IRXDYDNUSA-N	422.504	3.770	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1	772699558	BDZKEBKQPRXTPR-IBGZPJMESA-N	421.545	3.962	10	20	HHCD	
Cc1cc(C(=O)CN2CCCN(C(N)=O)CC2)c(C)n1-c1ccc(C(C)(C)C)cc1	772723867	UQDHCIPQYCUOCQ-UHFFFAOYSA-N	410.562	3.661	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1	773741435	ZCRSVEUZSXTNQP-HZPDHXFCSA-N	420.550	3.818	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	773744223	PZRYWRNKYDHQGW-NUJGCVRESA-N	420.550	3.818	10	20	HHCD	
C[C@]1(CCCO)CCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	776152364	DCAKDQFRLCWOFF-HRAATJIYSA-N	411.493	3.593	10	20	HHCD	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)ccc1Br	776751237	RSWIOIZXQSWPEJ-UHFFFAOYSA-N	407.629	3.517	10	20	HHCD	
Cc1cc(Br)cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1	777136864	ZDTDGYPJHXFFQW-UHFFFAOYSA-N	417.303	3.597	10	20	HHCD	
C[C@H]1CN(c2ccc(CN3C(=O)[C@@H]4c5ccccc5CCN4C3=O)cc2F)C[C@@H](C)O1	777606005	ZCZXCONGOKJYIT-DMPWYTOCSA-N	423.488	3.501	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cccc(C(F)(F)F)c1	777829379	VFQVSRRGVRNYSL-UHFFFAOYSA-N	401.768	3.880	10	20	HHCD	
CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1	778660561	FGUCCUSPWRHIOF-UHFFFAOYSA-N	410.448	3.692	10	20	HHCD	
CN(CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1ccc(N2CCOCC2)cc1	781975320	RRHFLJVLKSVKTG-UHFFFAOYSA-N	409.574	3.782	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1F	782429159	KLZHXZJKYLIQNX-UHFFFAOYSA-N	409.461	3.961	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1	784106954	BBSHUDIZAUHPNW-UHFFFAOYSA-N	421.476	3.756	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccccc1C(F)(F)F	786682542	ONABELUTGLAKFQ-UHFFFAOYSA-N	421.463	3.825	10	20	HHCD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1	787328622	RUZNRFWFEXCLDX-UTKZUKDTSA-N	409.530	3.668	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c(C(F)(F)F)c1	792870535	HURKPNPOFLUMPD-OAHLLOKOSA-N	405.420	3.589	10	20	HHCD	
COc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(-c2ccccc2)ccc1O	796403593	VPZOBLMMESFTPK-UHFFFAOYSA-N	412.511	3.930	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(-c4ccnn4C)ccc3C)CC2)cc1	799239173	UAEBBVXMDDJMGL-UHFFFAOYSA-N	405.502	3.758	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3ccc(-c4cnn(C)c4)s3)cc2F)CC1	800887708	ZJJSBMCVAGIRCA-UHFFFAOYSA-N	413.566	3.719	10	20	HHCD	
CCc1cc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(O)c(C(C)(C)C)c1	808225082	KHMFXRGNOWLHAY-KRWDZBQOSA-N	408.608	3.546	10	20	HHCD	
COc1cc(Br)cc(CNc2ccc(F)c(N3CCCNC3=O)c2)c1O	808428101	QBZXYPHIIQRENK-UHFFFAOYSA-N	424.270	3.834	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C3(c4cccc(Cl)c4)CC(=O)C3)CC2)cc1	810318242	UMMORECVCVQAFF-UHFFFAOYSA-N	412.917	3.735	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cn(C)cn2)c(C)n1-c1ccc(Br)cc1	811226489	LESJFUYGSQBQPZ-UHFFFAOYSA-N	416.275	3.630	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cn(-c2ccccc2Br)nn1	811453036	OJBUCYLLJRLRDY-UHFFFAOYSA-N	400.324	3.728	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)cc1	812496909	RLCUTXBVLZCKSP-UHFFFAOYSA-N	420.478	3.723	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(C)cnc3Br)CC2)cc1	813002471	YLRJWBDBAHKGKQ-UHFFFAOYSA-N	419.323	3.905	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)cc1F	857464792	OXYHGLKKQDLOJG-UHFFFAOYSA-N	406.885	3.996	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1	915083760	MKWHBUIOKZJETN-UHFFFAOYSA-N	424.522	3.784	10	20	HHCD	
Cc1cc(C)c(/C=C/C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1C	917833976	FIGQKLGIJCOYPH-YVWYTEFXSA-N	405.542	3.643	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2F)C[C@@H](C)O1	917917823	IIYFAHQAGILMFA-ZIAGYGMSSA-N	412.914	3.571	10	20	HHCD	
C[C@@H]1CC[C@@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H](n2cncn2)C1	1345102945	HKHWTEVWYSRJPF-YSGRDPCXSA-N	405.493	3.868	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1C	72009843	IOPSPFADEQEOSQ-XMMPIXPASA-N	416.481	3.709	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)C(C)C)CC2)cc1	110357440	DRRZHOGWROFKSE-QHCPKHFHSA-N	423.557	3.543	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(OC(F)F)cc1	302833240	MNLWLWHXIAKSHG-GOSISDBHSA-N	406.429	3.613	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)C1	435823887	BJGSIFDJOZBESN-ZJSXRUAMSA-N	419.573	3.904	10	20	HHCD	
Cc1cccc(NC2CCN(C(=O)C(=O)NCc3c(C)c4ccccc4n3C)CC2)c1	576496249	WQFKIIHJVPPEOQ-UHFFFAOYSA-N	418.541	3.514	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)n(C)c2ccccc12	579273506	PVVYFEFMMXOYBZ-OAHLLOKOSA-N	411.933	3.846	10	20	HHCD	
CC(C)N(Cc1cccs1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	726102348	IGNRHALAGKPZSH-UHFFFAOYSA-N	405.539	3.969	10	20	HHCD	
COCCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1	728838884	RWRLRBSECAOFBG-UHFFFAOYSA-N	410.436	3.983	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CNC(=O)C(C)C)C3)cc2)CC1	731120761	BMFNLTYYAWOKFP-NRFANRHFSA-N	414.594	3.617	10	20	HHCD	
CCn1c(S)nnc1CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	731227644	QZGFWMKNHVLOIR-UHFFFAOYSA-N	403.939	3.507	10	20	HHCD	
COc1cccc([C@@H](O)C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c1	731910934	MDSMHCBMOUUMQQ-JOCHJYFZSA-N	411.429	3.701	10	20	HHCD	
CC(C)[C@@H](c1ccccc1)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	732983729	ARPLASRTRIZEMV-DEOSSOPVSA-N	413.537	3.608	10	20	HHCD	
O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCCSc1nccs1	733972214	NSMXUBJGFREDRF-UHFFFAOYSA-N	418.569	3.693	10	20	HHCD	
Oc1ccc(Br)cc1CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	734843296	ITMLEINTRIUAFA-GOEBONIOSA-N	404.226	3.779	10	20	HHCD	
O=C(CCC(=O)N1CCc2sccc2C1)N(Cc1ccco1)Cc1ccccc1O	735926710	AJTSIKWQMGYEQX-UHFFFAOYSA-N	424.522	3.941	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)nc2)cc1)C1CCCCC1	737159501	SEAXHCSGVWQUPT-UHFFFAOYSA-N	400.910	3.759	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3Cn3cccn3)cc2F)C[C@@H](C)O1	741140706	VSVBNKNUOVVUEI-HDICACEKSA-N	422.504	3.614	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)CCCc3ccc(Cl)cc3)CC2)cc1	742920755	SFRMRXFVNAMPKM-UHFFFAOYSA-N	415.965	3.610	10	20	HHCD	
Cc1nc(C)c(CS(=O)(=O)CC(=O)c2cc(C)n(-c3ccccc3)c2C)s1	743042229	HCTVTBKLIXYATM-UHFFFAOYSA-N	402.541	3.965	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)NCc3c(O)ccc4c3CCCC4)n2)c1	743701734	AFTKTIHFTMHHSL-AWEZNQCLSA-N	422.485	3.890	10	20	HHCD	
Cc1cc([C@H]2CCCN2CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)no1	744386255	IHNRYOXVQKHUPR-OAQYLSRUSA-N	415.449	3.534	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1O	745812961	GCQIPQIROIYWFD-QGZVFWFLSA-N	421.900	3.657	10	20	HHCD	
CCC(CC)(CNC(=O)N(C)Cc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C	746005840	ZCOYRNMRGHIJBC-UHFFFAOYSA-N	406.571	3.978	10	20	HHCD	
CC[C@@H](c1ccccc1)N(CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	746143660	FLPDQVFDKLJWNE-QFIPXVFZSA-N	413.537	3.752	10	20	HHCD	
CC(=O)N1CC[C@](C)(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	747093673	WOEHPPWEDNNUSQ-QFIPXVFZSA-N	408.458	3.842	10	20	HHCD	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)SC2=S)cc1	748357933	KRINIAXIOZSPIQ-SXGWCWSVSA-N	400.437	3.909	10	20	HHCD	
COc1cccc(OC)c1Oc1ccc(CNC(=O)NCc2ccccc2O)cn1	748460298	NPLAIEOMWPXULB-UHFFFAOYSA-N	409.442	3.596	10	20	HHCD	
CCCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1cccnc1	750228011	JDZSKMVGBAQNNF-UHFFFAOYSA-N	415.405	3.822	10	20	HHCD	
CN1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2ccccc21	750794135	ISEFLWUVMSZWED-AZUAARDMSA-N	413.949	3.750	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](c3ccccc3)[C@@H]2C)c1	751599652	CEJXAKZXRSQWJY-UUOWRZLLSA-N	408.542	3.805	10	20	HHCD	
Cc1noc(C)c1[C@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	752225079	SBCUYMUEUGBUPK-CYBMUJFWSA-N	422.476	3.965	10	20	HHCD	
COc1ccc2c(c1)CC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C2	753286439	MWIZNXVOOCFBQE-IRLDBZIGSA-N	410.514	3.649	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C(C)C)CC2)cc1F	753647240	TYVAXSOILWREGU-UHFFFAOYSA-N	401.482	3.759	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)CCN4C(N)=O)c2C)cc1	753755572	QHPOODLGGWEBRR-UHFFFAOYSA-N	404.470	3.796	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2ccccc2o1	754039345	VGRZZFCLHWYAEO-HNNXBMFYSA-N	422.453	3.982	10	20	HHCD	
Cc1cc(C(=O)CN(CC(C)(C)O)C2CCOCC2)c(C)n1-c1cccc(F)c1	754658432	LSQXSDCCZHLUAC-UHFFFAOYSA-N	402.510	3.668	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)c3ccc(C)c(C)c3O)CC2)cc1	756394105	VDNFWGJTXFHUGB-SFHVURJKSA-N	402.560	3.821	10	20	HHCD	
C[C@@H]1CN(CCCCN[C@H](C)c2cc(Br)c(F)cc2O)C[C@@H](C)O1	756481607	DPQRZCRYPXALGY-MGPQQGTHSA-N	403.336	3.834	10	20	HHCD	
C[C@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1cc(Br)ccc1O	756535545	NKXZZANPDSCOIS-OXJNMPFZSA-N	418.379	3.794	10	20	HHCD	
C[C@H](NCCc1cccc(C(=O)N(C)C)c1)c1cc(Br)cc(F)c1O	756597729	ONBTXESRRBYXJF-LBPRGKRZSA-N	409.299	3.889	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](c1ccc(C)cc1)n1cncn1	756690942	KKZRWXYRXYCCAV-IFMALSPDSA-N	424.524	3.659	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccccc3-c3cnn(C)c3)CC2)cc1	758928415	FTLIISKYHGOTPA-UHFFFAOYSA-N	419.529	3.518	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)NCC1(c2ccccc2)CCCCC1	759597388	RUTHOLMUHPUYSI-BENRWUELSA-N	409.482	3.673	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1	760958498	MAFGXXQDWZVPJQ-UHFFFAOYSA-N	409.486	3.875	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1noc(-c2ccccc2)n1	761631744	WNWPCCMWBDSIRZ-INIZCTEOSA-N	423.542	3.850	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c(C)n1C[C@H]1CCCO1	764413196	WXJITSIMXMZJPL-BRMCRPDNSA-N	403.529	3.673	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3ccc(-n4cncn4)cc3)cc2F)C[C@@H](C)O1	765126073	HGWLZHBRMIUDBC-FGTMMUONSA-N	409.509	3.871	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)Cc3ccc(Br)cc3)CC2)cc1	765531734	XYBJSMBPQZJKKU-INIZCTEOSA-N	417.347	3.985	10	20	HHCD	
C[S@](=O)C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1	765638959	QUTRWVFQJFHQLG-VKGTZQKMSA-N	401.532	3.795	10	20	HHCD	
C[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCCCC2)c(F)c1	765836519	PFUSFFPVFPRRAP-KRWDZBQOSA-N	420.550	3.949	10	20	HHCD	
CC(C)COc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	765976826	BAVPLKQEKBRXIA-LJQANCHMSA-N	416.587	3.807	10	20	HHCD	
O=S(=O)(/C=C/c1ccccc1Cl)NCc1cccc(Br)c1O	766202310	ZVBIXZJDEDVLCG-CMDGGOBGSA-N	402.697	3.898	10	20	HHCD	
COc1ccc(-c2noc([C@@H](C)N[C@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1	768500628	UBTDGWVEDAXOJU-IAGOWNOFSA-N	408.502	3.994	10	20	HHCD	
C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	769159434	BVZXTLCQZPMSMG-HNNXBMFYSA-N	415.538	3.882	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(Br)cn2)cc1	773662952	WYXGDGUXLROQNB-UHFFFAOYSA-N	417.307	3.588	10	20	HHCD	
COC(=O)CCCN1CCC(NCc2ccc(N(C)C3CCCCC3)cc2)CC1	775621002	GVEVTODCSSDYPT-UHFFFAOYSA-N	401.595	3.963	10	20	HHCD	
COc1ccc(NC(=O)c2nnc(CN[C@H](C)c3ccc(N(C)C)cc3)s2)cc1	775834474	OWNLOUCQPDEWRC-CQSZACIVSA-N	411.531	3.716	10	20	HHCD	
COc1cc(O)c(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1OC	776102760	YRYZNLKAUBOWCE-UHFFFAOYSA-N	407.392	3.904	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1Br	777143435	KNYOSVQNMVJMAQ-AWEZNQCLSA-N	418.335	3.948	10	20	HHCD	
Cc1n[nH]c(C)c1NC(=O)CN(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2	780888257	VTRHDMOWZMUGHF-TWGQIWQCSA-N	418.497	3.956	10	20	HHCD	
CCOC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H]1CCCOC1	781377334	FFGDQRRROIDFPS-OXQOHEQNSA-N	418.921	3.836	10	20	HHCD	
C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1ccc2c(c1)CCCN2C	783507704	DRKAUPVYAQHSAM-QGZVFWFLSA-N	420.557	3.924	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc(OC)c1OC	783673590	PFRRAYTVLDPFCW-UHFFFAOYSA-N	421.881	3.596	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cc(C(F)(F)F)cnc2O)cc1	784110648	DUYKVFBYCDYLOL-UHFFFAOYSA-N	422.407	3.550	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3ccc(F)c(F)c3F)CC2)cc1	784495276	JLSPXBPRBPBQPE-UHFFFAOYSA-N	407.436	3.623	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1	785296339	DJCZMVWKGJDIMP-OAHLLOKOSA-N	422.506	3.935	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(Cl)cc1	786048252	CUUMZDRHSNCGJV-HNNXBMFYSA-N	411.980	3.908	10	20	HHCD	
CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1	788909754	RSGMTCBCXMVMAQ-TZYHBYERSA-N	411.546	3.642	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2ccco2)nn1C(C)C	789759160	XOZPTQFNNYFJQN-UHFFFAOYSA-N	410.474	3.807	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(OC(F)F)c(F)c1	790348660	ZTDYVDPSDIQFRL-UHFFFAOYSA-N	400.422	3.506	10	20	HHCD	
COc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1C(F)(F)F	790906752	DHZJPXXCIHICKZ-UHFFFAOYSA-N	421.419	3.569	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c(O)c1	792821040	SLOPVBBDLISSGI-UHFFFAOYSA-N	419.481	3.961	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Br)c(F)cc1F	797648857	RIAHQCMUGXZSFY-MRVPVSSYSA-N	401.207	3.891	10	20	HHCD	
CCc1cc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c(O)c(C(C)(C)C)c1	799957869	IHVWLNBVJXVNLY-UHFFFAOYSA-N	408.608	3.642	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(NC(C)=O)c(OC)c(OC)c1	801549738	YMIVMBWAHXFHCF-UHFFFAOYSA-N	400.475	3.810	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1F	803664742	QGLBHOLKTZOFBZ-IBGZPJMESA-N	423.891	3.814	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1Cl	807121592	FTWOBDKNPANYNA-ZDUSSCGKSA-N	408.329	3.895	10	20	HHCD	
COC[C@@]1(CNCc2cc(Br)cc(C)c2O)OCCc2ccccc21	811510211	ZCRDLJIXNBKLEF-HXUWFJFHSA-N	406.320	3.667	10	20	HHCD	
CCn1c(O)nnc1SCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	844263226	JLQAIQXZLXXMHT-UHFFFAOYSA-N	422.457	3.988	10	20	HHCD	
COC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1C	914455010	YSKOXVNCVXVGDB-UHFFFAOYSA-N	409.486	3.920	10	20	HHCD	
Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n[nH]1	915685523	AKBULMFIUXWUKL-UHFFFAOYSA-N	416.529	3.807	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1	916503146	UVIREBZQUROCSD-UHFFFAOYSA-N	407.562	3.989	10	20	HHCD	
Cc1ccc(CN2C[C@H](C(=O)N(Cc3ccco3)Cc3ccccc3O)CC2=O)cc1	917361406	LJTBNMCFOGBFOQ-OAQYLSRUSA-N	418.493	3.871	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cccc(Cl)c3)cc2F)C[C@@H](C)O1	917713014	ZHLAATJMWVTKQO-GASCZTMLSA-N	406.885	3.788	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCSCc3ccccc3F)CC2)cc1	918007329	SQSGMDXZFFNWKT-UHFFFAOYSA-N	417.550	3.989	10	20	HHCD	
CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	918993466	YNHNDQKJWOFCQC-UHFFFAOYSA-N	411.527	3.871	10	20	HHCD	
CCC1(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)CCC1	1788426885	BKDUQBZINLZHTI-UHFFFAOYSA-N	409.486	3.821	10	20	HHCD	
O=C(CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830737397	PDEPUYPNEOZQCE-SFHVURJKSA-N	420.937	3.785	10	20	HHCD	
Cc1ccoc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	16416547	DIDIYFVZMJZXHU-ZDUSSCGKSA-N	403.390	3.547	10	20	HHCD	
COc1ccc(C(=O)CCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	65599389	LOSFDYLHAFMUDF-GOSISDBHSA-N	410.514	3.762	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)c(C)n1-c1ccc(F)cc1	72053815	VDSDRXAZMVYDGB-LJQANCHMSA-N	403.523	3.615	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]1c1c(F)cccc1F	303714071	ZPNRUJGXAUWRSC-OALUTQOASA-N	400.469	3.593	10	20	HHCD	
Cc1c(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)n(C)c2ccccc12	471227021	HDTYDFKSUPVPHC-UHFFFAOYSA-N	414.509	3.853	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)ccc21	483413552	VPNJMOIVCVZHMG-INIZCTEOSA-N	411.468	3.519	10	20	HHCD	
CCN(CCc1ccccn1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	729596208	HOOVAUSVHJXKEQ-ROUUACIJSA-N	414.525	3.609	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1F	731373976	POVNEDUSUYOHRI-UHFFFAOYSA-N	424.476	3.763	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](N4CCCCC4=O)C3)cc2)CC1	732826528	CHGHFCZBROIDTB-JOCHJYFZSA-N	412.578	3.609	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2ncccn2)c(C)n1-c1ccc(OC(F)F)cc1	741035460	APMHUVKVWBIWJW-CQSZACIVSA-N	415.396	3.914	10	20	HHCD	
CCc1nnc(S)n1CCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	742187632	HIMNGOOZGVFIJS-UHFFFAOYSA-N	403.939	3.620	10	20	HHCD	
NC(=O)c1ccc(NC(=O)CCN(Cc2ccccc2O)C2CCCC2)cc1Cl	744400900	QCNPKIMLJLCMPI-UHFFFAOYSA-N	415.921	3.918	10	20	HHCD	
Cc1cc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c(C)n1-c1ccc(C(C)C)cc1	744623317	RNBRHRJESNEGPA-UHFFFAOYSA-N	404.514	3.510	10	20	HHCD	
Cc1csc([C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)n1	745863629	HXNOTZKMSWGZSH-IEBWSBKVSA-N	401.532	3.999	10	20	HHCD	
O=C(CN1CCC[C@@H]1c1ccccn1)Nc1cccc2c1C(=O)c1ccccc1C2=O	751480265	TXQIMEWUGMMHAU-OAQYLSRUSA-N	411.461	3.633	10	20	HHCD	
COc1ccc(N(C)CC(=O)N(C)Cc2ccccc2Br)c(OC)c1	752113327	RMFNBNDBDRCULX-UHFFFAOYSA-N	407.308	3.561	10	20	HHCD	
C[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)c(F)cc1O	756355729	RVAKLRRKTQDBLJ-HOCLYGCPSA-N	423.326	3.845	10	20	HHCD	
C[C@H](N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1O	756523092	AAOFLMDBTYXVED-CVEARBPZSA-N	412.490	3.969	10	20	HHCD	
C[C@H](NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1O	756763571	XHOKMDMDHXTZHW-GXTWGEPZSA-N	414.380	3.701	10	20	HHCD	
Cc1nc(COc2cccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)no1	758283998	CGBFRQRAQCGFGJ-UHFFFAOYSA-N	406.486	3.828	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCCCCC(C)(C)C)CC2)cc(OC)c1OC	759254479	OZZUWYSXCWOQLQ-UHFFFAOYSA-N	407.555	3.760	10	20	HHCD	
C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)NC(c1ccccc1)c1ccccc1	759590805	AKWAPISCNOCAPW-AKMXKPQHSA-N	417.461	3.949	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)NCc2ccccc2CN2CCCC2=O)s1	759714042	OGWRPDVSBPTJHJ-UHFFFAOYSA-N	417.600	3.972	10	20	HHCD	
C[C@H](NC1CCN(c2cccnn2)CC1)c1cc(Br)cc(Cl)c1O	760035688	CLZZEIZBRDWSFE-NSHDSACASA-N	411.731	3.918	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCOc1ncc(Cl)cc1Cl	762325204	TXCSCPNUNXKXMX-UHFFFAOYSA-N	407.348	3.705	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2sccc2Br)SC1=S	764892777	ZUNFZDYBOQUAMR-YFHOEESVSA-N	406.348	3.665	10	20	HHCD	
C[C@H](NCCCNC(=O)c1ccc(Br)cc1)c1ccc(N(C)C)cc1	765628942	UGGBKCROUCXDQQ-HNNXBMFYSA-N	404.352	3.986	10	20	HHCD	
COc1ccc(COCCCN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	765659731	AVXPWLLQFVVWMA-SFHVURJKSA-N	402.510	3.928	10	20	HHCD	
CCn1c(-c2cnccn2)nn(CN2CCCc3cc(OC(F)F)ccc32)c1=S	766353134	ZXNVBQPATGYHHR-UHFFFAOYSA-N	418.473	3.903	10	20	HHCD	
C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCC(C(F)F)CC1	767082315	HNFOXUJCFUFFBV-CYBMUJFWSA-N	412.436	3.766	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1	767880367	CIVMVWIIXGUETK-UHFFFAOYSA-N	420.494	3.984	10	20	HHCD	
COC(=O)CCc1csc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)n1	769013023	NPNXWPZTIZVCLV-UHFFFAOYSA-N	415.471	3.782	10	20	HHCD	
C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@H]1CNC(=O)OC(C)(C)C	769424526	LCAOTYITDHLZIC-NQIIRXRSSA-N	403.567	3.648	10	20	HHCD	
COc1ccc(CSCC(=O)NCc2c(O)ccc3c2CCCC3)cc1[N+](=O)[O-]	769560505	NGGUYGCAQQYPIA-UHFFFAOYSA-N	416.499	3.737	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1	772206776	IQAHSRHUFLFQPJ-UHFFFAOYSA-N	418.453	3.647	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1)c1ccc(N(C)C)cc1	773844728	FTCJBUAZOANIOO-SFHVURJKSA-N	408.546	3.949	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3cccs3)cc2Cl)C1	774785716	GGFBYFZDTJPVRZ-AWEZNQCLSA-N	405.951	3.570	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)nc1-c1ccccc1	775140017	QSOSUUCXNKSBMS-UHFFFAOYSA-N	402.423	3.678	10	20	HHCD	
CC[C@H](CSC)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	775516974	XRGNQXRCMVWLRV-XTCQQWIJSA-N	414.643	3.987	10	20	HHCD	
CCOc1ccc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)cc1OCC	777828041	GTKTXMMANWYOPC-UHFFFAOYSA-N	421.877	3.658	10	20	HHCD	
COc1ccc(SCCCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	780397599	NXOARTBNLAEEDY-UHFFFAOYSA-N	418.534	3.860	10	20	HHCD	
C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	781947279	NITXVBNBWLPWOZ-JTSKRJEESA-N	415.965	3.826	10	20	HHCD	
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1	782262088	MTOKFNBGBFBPQE-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CO[C@@H]1CCCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	783561813	CJRBOSRJADHDKK-LBFFYKKLSA-N	424.613	3.757	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCSC[C@H]3c3cnn(C)c3)c2C)cc1	791382740	ZJKCZTBJNVIROP-NRFANRHFSA-N	410.543	3.767	10	20	HHCD	
CSc1ccc(CSCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	794523506	DCYUSCYHAHEPEQ-UHFFFAOYSA-N	420.575	3.934	10	20	HHCD	
CNC(=O)COc1cccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)c1	796271637	QBEQSPFNOAPOPQ-UHFFFAOYSA-N	415.537	3.664	10	20	HHCD	
CCOc1ccc(NCc2cccc(OC)c2O)cc1S(=O)(=O)N1CCCCC1	796404849	UURIKHQHUCAVMJ-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	799034347	KOMZIERFRDSCFU-OAQYLSRUSA-N	418.497	3.659	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cn1	799636142	HXZNHKRFHXIVQC-UHFFFAOYSA-N	403.441	3.868	10	20	HHCD	
CC(=O)NCCN(Cc1ccc(C)s1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	801051478	PZGUTCDSANLPHP-MRXNPFEDSA-N	402.564	3.531	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	803772369	ICIJAVFCASRQCE-MRXNPFEDSA-N	411.527	3.774	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1CCCc2sccc21	804384340	ATYGQEIGJNUFCL-FQEVSTJZSA-N	411.571	3.891	10	20	HHCD	
O=C(NCc1ccn(C2CCCC2)n1)C(=O)N(Cc1ccccc1O)C1CCCCC1	809078431	JWKUWRBFRNOEJA-UHFFFAOYSA-N	424.545	3.682	10	20	HHCD	
CN1CCN(c2ccc(CN(CCn3ccnc3)Cc3cccc(Cl)c3)cc2)CC1	809752558	GGMLELRMNWJKNP-UHFFFAOYSA-N	423.992	3.991	10	20	HHCD	
COC(=O)c1ccc(Cl)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	810369879	YLJNYWVOKHZLEI-MRXNPFEDSA-N	403.862	3.654	10	20	HHCD	
C[C@@]1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)OCCc2sccc21	811865120	VOCSCNXDIXCCRC-NRFANRHFSA-N	417.600	3.589	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCCN(Cc2ccccc2)C1	916606429	PMSJIHZFLOOMLW-JOCHJYFZSA-N	424.614	3.704	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(OC[C@@H]2CCCO2)c1	917383799	NGHQAWYIQRFJII-QFIPXVFZSA-N	412.555	3.728	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccccc3F)cc2F)C[C@@H](C)O1	918223204	YIWZNKIMRYHEOB-HZPDHXFCSA-N	403.473	3.920	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ncc(Cc2ccccc2)s1	919772082	PUSPCLLUPDXHTM-UHFFFAOYSA-N	408.527	3.892	10	20	HHCD	
CC[C@H](C)Oc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	919910155	CJJKWNIXOFZMIF-HKUYNNGSSA-N	424.545	3.887	10	20	HHCD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1	919969725	XLBUDDULOOGZEM-KXBFYZLASA-N	400.494	3.752	10	20	HHCD	
CCOc1ccc(SCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	919971402	VYKJBXVUMMRARE-UHFFFAOYSA-N	418.534	3.594	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(c4c[nH]c5ncccc45)CC3)cc2F)CC1	1116441780	RUEJDLBFKKFCBC-UHFFFAOYSA-N	407.537	3.833	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@H]3C[C@@H](C)c4c(C)ccc(O)c43)C2=O)c(OC)c1	1322711567	WNWXXXRCIIYQGJ-MNEFBYGVSA-N	410.514	3.657	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1	46020863	YBJAEJRQNMLNFK-UHFFFAOYSA-N	403.482	3.819	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	65277678	DSPCDKIOPQGWIF-AWEZNQCLSA-N	414.449	3.582	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)/C=C\c1ccc2ccccc2n1	211579400	VWNUWXASMOQGAD-QINSGFPZSA-N	403.482	3.516	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1F	303301169	CTYUYYWLJYKMBQ-NRFANRHFSA-N	404.505	3.913	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)n(C)c2ccccc12	472221693	INAAKYRLLIPQHA-UHFFFAOYSA-N	409.505	3.905	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc4c(cc3SC)OCCO4)CC2)cc1	726078722	OHQRNRJHAWMMOR-UHFFFAOYSA-N	415.515	3.542	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(F)ccc1N1CCCCC1	727038592	ZJFCXMAWZSOQAY-UHFFFAOYSA-N	424.520	3.671	10	20	HHCD	
CN(Cc1ccc2c(c1)OCCO2)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	728193838	DJDHIPJSDVVOSR-UHFFFAOYSA-N	405.450	3.732	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)COc3ccc(Cl)cc3C)cc2F)CC1	730192627	IYWUMRVBVTTYKH-UHFFFAOYSA-N	419.928	3.625	10	20	HHCD	
COCCOc1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)cc1	730593004	FKTFFQFQJUVRTF-AQTBWJFISA-N	400.525	3.551	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3cccc(N4CCNC4=O)c3)cc2)CC1	731042355	RYCWCUJMHJIADB-UHFFFAOYSA-N	407.518	3.774	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc3c(nc2O)CC(C)(C)CC3=O)cc1F	731374653	ZZEKZCLCCHPCPK-UHFFFAOYSA-N	413.493	3.858	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)c1	732780896	BXBFSPNITPXIJY-SFHVURJKSA-N	407.436	3.638	10	20	HHCD	
CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	734228735	WQJIHPLSRYPUAF-JXFKEZNVSA-N	421.501	3.804	10	20	HHCD	
CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1O)Cc1nccn1CC(F)(F)F	738155578	FEOFMYUGUCUKML-UHFFFAOYSA-N	419.403	3.720	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(SC(F)F)cc1	741099918	NCAUGMVDDNIYQN-UHFFFAOYSA-N	403.454	3.632	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc32)NC(=O)OC(C)(C)C)cc1	742750438	NVEKNHWIRDOMFU-SFTDATJTSA-N	409.530	3.775	10	20	HHCD	
O=C(CSC[C@H]1CCCCO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805560	LQBMQCWSHWSDDZ-CRAIPNDOSA-N	414.518	3.675	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nc2c(s1)COCC2	743162038	PZVZPUFNBADWLQ-UHFFFAOYSA-N	412.309	3.738	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(-c2cccc(F)c2)no1	743624381	QYMZAYZWBGQOLF-HNNXBMFYSA-N	407.449	3.812	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(N2CCOC2=O)c1	743809380	RNLVQBMPYFPKLI-UHFFFAOYSA-N	419.275	3.774	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1ccccc1)Cc1cc[nH]n1	745592897	LVJBJPDTIWXNFZ-UHFFFAOYSA-N	421.570	3.875	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@@H](c3ccc4c(c3)OCCO4)C3CC3)ccc21	746722672	YDTLUESBKHDHBZ-HSZRJFAPSA-N	407.514	3.791	10	20	HHCD	
COC[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(C)o1	746756532	DRYROIGJXPKESC-JTDSTZFVSA-N	419.497	3.528	10	20	HHCD	
O=C(NCc1ccccc1O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1	748345258	BIXARKZJPYDLDZ-UHFFFAOYSA-N	416.886	3.776	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C	751386560	IYDUOTDEXFHZJT-KOSHJBKYSA-N	419.569	3.685	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1F	751608459	GFJFKDWNCYDIBA-LJQANCHMSA-N	407.530	3.542	10	20	HHCD	
C[C@H](NCC1(C(N)=O)CCCC1)c1cc(Br)cc(Br)c1O	756585721	MABPBXUHODVBGS-VIFPVBQESA-N	420.145	3.614	10	20	HHCD	
CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccn(C)n1	756875214	UKLHTJIWBZNHOO-AZUAARDMSA-N	401.555	3.793	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC3CCN(c4cccnn4)CC3)c2C)c1	760631149	DNSWJWHGTVOBFM-UHFFFAOYSA-N	403.530	3.900	10	20	HHCD	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761983507	SNTKILLHBOQFMG-CGYQNGNCSA-N	416.949	3.681	10	20	HHCD	
Cc1cc(F)cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1[N+](=O)[O-]	761984593	ZOELXCGQIXIUCP-INIZCTEOSA-N	421.856	3.796	10	20	HHCD	
COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2)cc1	763793191	QBYLPLAIMGVACE-UHFFFAOYSA-N	415.515	3.864	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)c1	764322097	IWCPZFVCQPUMEE-UHFFFAOYSA-N	401.875	3.925	10	20	HHCD	
CCn1c(-c2ccccn2)nn(CN2CCCN(c3ccc(OC)cc3)CC2)c1=S	764910489	OIWRYAOXJUELIB-UHFFFAOYSA-N	424.574	3.674	10	20	HHCD	
Cc1nc(-c2ccc(NCc3cccc(Br)c3O)nc2)nc(O)c1C	764935451	UMJQIQXNZKZBFE-UHFFFAOYSA-N	401.264	3.941	10	20	HHCD	
COCCCOc1ccccc1NC(=O)NCc1cccc(Br)c1O	765258692	MDXYTPJWTJFLHE-UHFFFAOYSA-N	409.280	3.892	10	20	HHCD	
CCOc1nc(C(F)(F)F)ccc1C(=O)NCc1cccc(Br)c1O	765751936	ASNWDSYTUHPUIU-UHFFFAOYSA-N	419.197	3.897	10	20	HHCD	
O=[N+]([O-])c1nn(CN2CCCc3cc(OC(F)F)ccc32)cc1Br	766352465	TYCNUAMVBVPYJR-UHFFFAOYSA-N	403.183	3.566	10	20	HHCD	
C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl	766460921	INMUOVUQCYBLDW-MRXNPFEDSA-N	422.978	3.572	10	20	HHCD	
FC(F)Oc1cccc([C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)c1	769542699	AJAQOBZHSWHZAV-NRFANRHFSA-N	404.457	3.698	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)c(C)n1-c1ccccn1	770262718	CJMYLFAXJROWJJ-KRWDZBQOSA-N	411.531	3.729	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2ccnc(O)c2Br)cc1	770821364	YVSZJASJQWELSX-UHFFFAOYSA-N	406.324	3.597	10	20	HHCD	
CC(C)[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1	772118539	DBTBTEFBJRLNRE-FCEWJHQRSA-N	411.493	3.760	10	20	HHCD	
CC(C)[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc2nc(O)oc2c1	774390596	JWRWSZKVWSRKIK-XMSQKQJNSA-N	422.529	3.722	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCC2(c3ccc4c(c3)OCCO4)CCCC2)c1O	774958530	YPLKEMRQNXMFTI-UHFFFAOYSA-N	414.458	3.682	10	20	HHCD	
C[C@H](NCCCCCn1nnc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1	775258761	ATPDVADHJRKNSV-FQEVSTJZSA-N	420.561	3.698	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2cc(OC)ccc2O)c1	775371028	LKJBXNPTBTXSRB-CVEARBPZSA-N	413.518	3.561	10	20	HHCD	
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Br)cc(Br)c1O	775736103	MFDPKIQPBJHZCE-KGLIPLIRSA-N	418.173	3.976	10	20	HHCD	
CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C\c1ccc(O)c(O)c1	779482225	RNQFFYICOVKRDE-CLFYSBASSA-N	408.420	3.720	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1	783116683	CEEPOANOYDUTEG-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
CCN(CC)C(=O)CCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	783594603	YELMIHBFESOXHB-UHFFFAOYSA-N	405.558	3.523	10	20	HHCD	
CCOc1cccc2[nH]cc(CC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c12	783638144	MFAHVUKFAPHYBB-UHFFFAOYSA-N	421.541	3.634	10	20	HHCD	
CC(C)(C)c1nnc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)s1	784060377	YCIPGQQLQVNBPX-UHFFFAOYSA-N	401.536	3.722	10	20	HHCD	
Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788930264	QCEBGNCXKKRTJX-UHFFFAOYSA-N	407.558	3.648	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCCC1)c1ccc(N(C)C)cc1	789756434	RBRRUYZNGIRGOK-KRWDZBQOSA-N	411.521	3.697	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(OC)c(OC)cc1Br	790418068	RSUISFDIYULVNC-UHFFFAOYSA-N	416.293	3.535	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@@H](C)S(=O)[C@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	792395941	WJOYZYRHIVOBMR-HUUCEWRRSA-N	424.513	3.720	10	20	HHCD	
Cc1cccc(CC2(O)CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)c1	792858452	PRENRUCFQAIWSZ-UHFFFAOYSA-N	407.558	3.874	10	20	HHCD	
Cc1ccc([C@@H](CNCc2ccc(N(C)C)cc2C(F)(F)F)N2CCOCC2)o1	792894410	WAKXTVPBPWXKEH-LJQANCHMSA-N	411.468	3.836	10	20	HHCD	
C[C@H]([C@H]1OCCc2sccc21)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	794129202	XXXVSWVXSHBORR-ADLMAVQZSA-N	406.891	3.574	10	20	HHCD	
C[C@@H](OC(=O)C(C)(C)C(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	795860646	NYWCONCBIHLQQU-LLVKDONJSA-N	415.392	3.624	10	20	HHCD	
CCOc1ccc(NCc2ccc(N(CC)CC)cc2)cc1S(=O)(=O)N(C)C	796402561	OYKFLBZGBKWTDX-UHFFFAOYSA-N	405.564	3.794	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)s1	799187258	OZKVDPKGKMMURQ-UHFFFAOYSA-N	420.541	3.958	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](c4ccccc4)C3)cc2)CC1	805024644	SSVDLRLYLUJCGP-JOCHJYFZSA-N	405.542	3.555	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@H](CC)c2cc(Cl)cc(Cl)c2O)CC1	806131065	GEVYHOYODXNSHB-MRXNPFEDSA-N	409.379	3.944	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCCCOc3ccc(F)cc3)CC2)cc1	807191623	JJXBFDVTWWZZFN-UHFFFAOYSA-N	418.534	3.685	10	20	HHCD	
C[C@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	807691929	VALUZXBQUKOTIC-GAJHUEQPSA-N	418.493	3.954	10	20	HHCD	
O=C(c1ccc(F)cc1)c1ccc(Cl)cc1NCc1nnnn1CC(F)(F)F	809195048	LFMIHBZBGIDKMC-UHFFFAOYSA-N	413.762	3.871	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2ccc(Br)s2)ccc1O	811703178	LOOKAVIIIQOYCS-UHFFFAOYSA-N	406.323	3.942	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)[C@H]3OCCc4sccc43)CC2)cc1	814107769	SVMZPRLCBSGVKQ-HRAATJIYSA-N	400.544	3.746	10	20	HHCD	
COc1ccc(Cl)cc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	916647038	FUSSIKXQNADTHF-UHFFFAOYSA-N	403.910	3.527	10	20	HHCD	
CCCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	918041040	XAHQVCODSMOANH-HXUWFJFHSA-N	411.502	3.745	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OC(F)F)c1	918211443	ANZILZGOAZYWDS-CQSZACIVSA-N	423.435	3.824	10	20	HHCD	
CC[S@](=O)c1ccccc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1	919895585	OVAVYBZVBWWLDO-LJAQVGFWSA-N	411.571	3.598	10	20	HHCD	
CC(C)OCc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	920042804	FSVOTAKBFZQANI-UHFFFAOYSA-N	401.482	3.909	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c1	1319176558	BQXAELWGDVEFQU-SFHVURJKSA-N	401.938	3.542	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C)c3)n2)cc1	1338378793	UTAWNFUDECLURM-UHFFFAOYSA-N	401.513	3.555	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)CC2CC2)CC1	1826605062	FNZDJVOVKCNWLD-GOSISDBHSA-N	420.937	3.785	10	20	HHCD	
COc1ccc(CNC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC	4541422	YVRKSPYAZRYMQP-UHFFFAOYSA-N	422.481	3.585	10	20	HHCD	
Cc1ccoc1C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	16416856	OUTJCCXTDANAOT-ZDUSSCGKSA-N	403.390	3.547	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Oc2cccnc2)cc1	109075549	YARPFXFLZKTLGO-UHFFFAOYSA-N	403.482	3.983	10	20	HHCD	
Fc1cc(CNCCCc2nc(-c3ccncc3)cs2)ccc1N1CCOCC1	237846844	LSXVIZRUPJHABC-UHFFFAOYSA-N	412.534	3.903	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCN(c4ccccc4F)C3=O)cc2)CC1	303478515	ISRQLUHTIQNRGF-NRFANRHFSA-N	424.520	3.667	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCCO4)SC2=S)cn1	726196953	HURYKZHOOIXCFZ-AUWJEWJLSA-N	407.904	3.733	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	726266351	JZHIODWBFCORSM-LJQANCHMSA-N	418.582	3.931	10	20	HHCD	
C[C@H](NC(=O)NCc1cc(-c2ccccc2)on1)c1ccc(N2CCOCC2)cc1	726849330	RBFLYBRDLSYVMS-KRWDZBQOSA-N	406.486	3.739	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](c3ccccc3)C3CCC3)cc2)C1	729233577	RSGFBCJWAWKZJI-FYYLOGMGSA-N	420.557	3.729	10	20	HHCD	
C[C@H](NC(=O)N1CCCO[C@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	729858255	WTAZLTUDXXYFRV-CVDCTZTESA-N	409.530	3.757	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cccc(C(=O)N(C)C)c3)cc2)CC1	731049983	ZGEODECZQHXEKN-UHFFFAOYSA-N	408.546	3.624	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(NC(=O)COC)cc2)cc1F	731398225	DIDWGZSDCJILPX-UHFFFAOYSA-N	402.470	3.579	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1-c1cccc2cccnc12	731454114	NSIHGNLYLXBITM-UHFFFAOYSA-N	412.497	3.654	10	20	HHCD	
Cc1cc(C(=O)NCCN2CCSCC2)c(C)n1-c1ccc(Br)cc1	732776716	CWGOEFLBUOECFC-UHFFFAOYSA-N	422.392	3.635	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N(C)C3CCN(Cc4ccccc4)CC3)ccc21	733644382	CBMVVHUIEGEHPC-UHFFFAOYSA-N	406.574	3.875	10	20	HHCD	
Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	737938196	QVIKGKNRGMJUNW-UHFFFAOYSA-N	404.514	3.882	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1N1CCNC1=O	742078639	NOXDUIVNEKAGFJ-UHFFFAOYSA-N	408.502	3.713	10	20	HHCD	
COC(=O)c1cn(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc12	742476170	ZFWKJSGRXRKJJZ-UHFFFAOYSA-N	405.498	3.735	10	20	HHCD	
CN(c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1)C1CCCCC1	742637066	HRQHFDHUJCWQIT-UHFFFAOYSA-N	414.527	3.604	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742800232	HDEJRAXETAVHGX-MRXNPFEDSA-N	419.428	3.865	10	20	HHCD	
CC(C)[C@@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCS1	743554690	KIPIBAFHIBNDGC-QINHECLXSA-N	409.571	3.722	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1	743763919	WYDSKVFMNZAZBP-UHFFFAOYSA-N	403.592	3.853	10	20	HHCD	
Cc1nc(-c2ccc(CNC(=O)NCc3ccc(N4CCOCC4)cc3)cc2)cs1	744289497	BNDPUGQSNCYCGA-UHFFFAOYSA-N	422.554	3.955	10	20	HHCD	
Cc1csc(CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	745562816	ARDURDHXPSBMER-AWEZNQCLSA-N	410.490	3.564	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1	745771605	DQWJBRAVUYXOBW-QFIPXVFZSA-N	410.562	3.892	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(C(F)(F)F)cc1	746047760	RPPDAYANLCWLDE-OAHLLOKOSA-N	412.477	3.791	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)CCn3cc([N+](=O)[O-])cn3)c2C)c1	746595832	HMLIKDVQXZOOPW-UHFFFAOYSA-N	424.457	3.632	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c(C)n1-c1ccc(Br)cc1	746652585	DMEIAHKBHKZNEH-HNNXBMFYSA-N	418.335	3.584	10	20	HHCD	
Cc1ccc2c(c1)N(C(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)CC2	746817992	VSSSEHXUDAFSOR-UHFFFAOYSA-N	412.401	3.882	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]1c1cccc(Br)c1	747414518	BKNSGHWGEDAHRM-WOJBJXKFSA-N	415.331	3.706	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cccc(F)c1F	751469381	YPNBTPVVKALEJQ-UHFFFAOYSA-N	406.248	3.644	10	20	HHCD	
COc1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1	751932912	ZHRGJRVKFBEJTQ-CYBMUJFWSA-N	411.483	3.509	10	20	HHCD	
C[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(S(C)(=O)=O)cc1	753254329	YZBARALNGGLWIP-HNNXBMFYSA-N	420.494	3.542	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC3(CCO)CCCCC3)cc2F)C[C@H](C)O1	753350316	ORSAGRFPFRFAIX-ROUUACIJSA-N	421.557	3.571	10	20	HHCD	
CN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(N5CCCC5)c4)ccc1c23	753690048	AUZFNJLFWPFRHC-UHFFFAOYSA-N	407.495	3.831	10	20	HHCD	
C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cc(Br)ccc1O	756850541	JUVQVKCRNXQKQP-FZKQIMNGSA-N	418.335	3.778	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3cc(C)ccc3OC(F)F)CC2)cc1F	756953109	BPKIVRIBUWENNX-UHFFFAOYSA-N	423.435	3.776	10	20	HHCD	
CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	757624120	QXZVMFKHFZQFQV-KBPBESRZSA-N	407.492	3.691	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3ccc(C)cc3)CC2)cc(OC)c1OC	758922507	OLZKGABPEPRDPV-UHFFFAOYSA-N	401.532	3.540	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H](C)c3ccc(Cl)s3)CC2)cc(OC)c1OC	759222896	MFWYNGFXXXHHFK-ZDUSSCGKSA-N	424.950	3.880	10	20	HHCD	
CC1CCN(c2ccc(CN3C(=O)N[C@H](c4ccc5c(c4)CCO5)C3=O)cc2)CC1	761275158	DNPGUHGTCQSQSW-JOCHJYFZSA-N	405.498	3.651	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(CSc3ccc(Cl)cc3)no2)c1	761437293	PXQBWYGSGJGRTI-UHFFFAOYSA-N	411.892	3.759	10	20	HHCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](c2ccc(Br)cc2)C1=O	761580400	SVGNFWJQCUSFSX-SJKOYZFVSA-N	402.292	3.869	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(N2CCCC2=O)cc1	765285027	AQEQMMHIKGTYDW-KRWDZBQOSA-N	411.521	3.764	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@](C)(O)c3ccccc3Cl)CC2)cc1	765878603	GAAWPLXRTRLERW-QFIPXVFZSA-N	417.937	3.524	10	20	HHCD	
CC(C)N(Cc1ccc(N2CCOCC2)c(F)c1)Cc1nc(O)c2ccccc2n1	768423182	XNMLIJMJYQMWDI-UHFFFAOYSA-N	410.493	3.722	10	20	HHCD	
Cc1cc2occ(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2cc1C	769894199	NQKWHBWPMIVUMR-SFHVURJKSA-N	405.498	3.681	10	20	HHCD	
CCSCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1	769971866	XZGWTSCAFLCLNC-CYBMUJFWSA-N	411.474	3.928	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	771066304	QWIIEFLTHKOVIP-INIZCTEOSA-N	403.866	3.657	10	20	HHCD	
Cc1cc(C)n(-c2cccc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)c2)n1	771908248	XAFOKEXLLIVHEX-UHFFFAOYSA-N	410.861	3.817	10	20	HHCD	
COCCC1(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCCC1	773724755	WQHMPAFGUNQAEW-UHFFFAOYSA-N	421.557	3.573	10	20	HHCD	
CCN(C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(F)cc1	775259657	KDLSMIQLIFYHMI-MOPGFXCFSA-N	413.537	3.923	10	20	HHCD	
C[C@@H](NC(=O)c1cc2ccccc2cc1NS(C)(=O)=O)c1ccc(N(C)C)cc1	775411056	NWUKQFFCBVRZNT-OAHLLOKOSA-N	411.527	3.768	10	20	HHCD	
CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1	775727074	HKMNLIXNRVENPA-IIBYNOLFSA-N	417.550	3.954	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(Cn4cncn4)CC3)c2C)cc1F	778219784	OOKUMHWONBOZPD-UHFFFAOYSA-N	409.509	3.728	10	20	HHCD	
CCN(C[C@@H](O)C(F)(F)F)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	779543855	IZGGKHSMJKZHMR-GOSISDBHSA-N	401.473	3.910	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OCc2cccnc2)c1	784029318	DPLPOBDDQAYYBT-UHFFFAOYSA-N	419.481	3.744	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC([C@@H]4CCCO4)CC3)cc2F)C[C@@H](C)O1	784071269	NDXZTWMAWBHWPS-JKSBSHDWSA-N	419.541	3.540	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCC3(c4ccccc4)CCC3)cc2)CC1	785833627	DXYDCMMPGSRJCA-UHFFFAOYSA-N	419.569	3.777	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1	788939480	KIPLEPPZKMFRLC-CTNGQTDRSA-N	411.521	3.741	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCCC1	789854527	IUCIVRJNOQFNPJ-NRFANRHFSA-N	417.619	3.721	10	20	HHCD	
COc1ccc(CNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(O)c1	794382629	DVPBIKLEMWQXRT-UHFFFAOYSA-N	400.438	3.579	10	20	HHCD	
CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	803662296	ARDWOIZYZDFYAC-OAHLLOKOSA-N	417.550	3.886	10	20	HHCD	
CCSc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1	803685798	LJEVESHIFVWMEM-INIZCTEOSA-N	411.571	3.675	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(C(F)F)cc2)cc1F	804852914	IHANVKKOIIYOBK-UHFFFAOYSA-N	407.436	3.542	10	20	HHCD	
COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O	804939003	GVLNBHGTCNHKPZ-UHFFFAOYSA-N	400.218	3.615	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1C[C@H]2CCC[C@@H](C2)C1	804968569	BTSQVUHRDKETBV-HOTGVXAUSA-N	411.468	3.874	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccncc2OCc2ccccc2)c1	805765897	RKSIRMCXKUKGTR-MRXNPFEDSA-N	407.470	3.935	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H](c3ccccc3)N(C)C)CC2)cc1	806683182	BETAOEBNNOYKPU-FDDCHVKYSA-N	410.562	3.655	10	20	HHCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)C(=O)Nc4ccc(N=Nc5ccccc5)cc4)[C@H]1[C@H]3C2	807321379	ZNHSOJMVRJOOKT-AUNNOQBQSA-N	404.470	3.922	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc2ncsc2c1	807563744	LBJCAJQMTOTWBE-MRXNPFEDSA-N	424.570	3.977	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(OC(F)(F)F)c1	807675581	BVEOYKPPMJUDSA-KGLIPLIRSA-N	423.435	3.706	10	20	HHCD	
COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807835935	NCVROBMBRWZZPF-KRWDZBQOSA-N	423.296	3.629	10	20	HHCD	
O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1cc(Cl)cc(Cl)c1O	807837240	IKJXQLXOJYJRHL-QGZVFWFLSA-N	409.313	3.606	10	20	HHCD	
CC(C)N1CCN(c2cccc(NS(=O)(=O)c3ccc(C(F)F)cc3)c2)CC1	808545321	WOINJGINBJKNFG-UHFFFAOYSA-N	409.502	3.955	10	20	HHCD	
Cc1nn(CC(=O)OC(C)C)c(C)c1CNCc1cc(Cl)cc(Cl)c1O	809776067	RXJONKVLJPUDAC-UHFFFAOYSA-N	400.306	3.754	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1)c1ccc(N2CCOCC2)cc1	811865872	CRCPIKDKJZOHRZ-DFBJGRDBSA-N	421.541	3.764	10	20	HHCD	
CCc1ccccc1OCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1	812387696	QFKQHIVWHDZWSV-GOSISDBHSA-N	422.529	3.798	10	20	HHCD	
CSC1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CCN(C)CC1	812548898	AVKMIKGQEUTDEQ-UHFFFAOYSA-N	403.548	3.524	10	20	HHCD	
Cc1cc(=O)cc(C)n1CCCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	812975306	HOVRRYUQGBLRPP-UHFFFAOYSA-N	423.479	3.902	10	20	HHCD	
CC(C)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(O)n1	857473321	XADOPUWUHCGUTR-QGZVFWFLSA-N	403.910	3.664	10	20	HHCD	
Cc1sc(NC(=O)c2ccc(=O)n(C)n2)c(C(=O)OC(C)C)c1-c1ccccc1	913193208	CZSHFOQFQIPGGC-UHFFFAOYSA-N	411.483	3.635	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1nc(C2CCCCC2)no1	1116752795	KYQNIBVCIHVQEX-MRXNPFEDSA-N	401.530	3.859	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)COc3ccccc3F)CC2)cc1	1251507076	JNNLKYSZCOMJPW-MRXNPFEDSA-N	401.482	3.570	10	20	HHCD	
C[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F	1319534947	MZFZSALXQGGYLJ-ZDUSSCGKSA-N	421.423	3.965	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12	1320142550	LRIAWFMFCPSPBE-HKBOAZHASA-N	419.477	3.645	10	20	HHCD	
c1ccc(-n2ncc3c(NCc4ccc(N5CCSCC5)cc4)ncnc32)cc1	52428589	QWWWFNRRXKWUKV-UHFFFAOYSA-N	402.527	3.981	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2cn(C)c3ccccc23)cc1	110148196	UHHFXMYRGSIUKR-JOCHJYFZSA-N	405.542	3.995	10	20	HHCD	
CCN(CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1cccc(C)c1	110462170	KHQTUSQMEZRMKU-UHFFFAOYSA-N	410.562	3.798	10	20	HHCD	
COc1ccc(N2CCCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2)cc1	301311935	HTVGVYITESJKOO-UHFFFAOYSA-N	401.514	3.753	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)COc3cccc(C(C)C)c3)cc2F)CC1	303293463	LJZIHJYVSVQBIW-UHFFFAOYSA-N	413.537	3.786	10	20	HHCD	
Cc1cc(C(=O)NCCc2nnc(S)n2C(C)C)c(C)n1-c1ccc(F)cc1	303310144	FLHTXWCJDLYZNP-UHFFFAOYSA-N	401.511	3.667	10	20	HHCD	
COc1ccccc1N1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1	471766181	FBWVDMZTQYDYPC-UHFFFAOYSA-N	406.530	3.964	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)n(C)c2ccccc12	472812965	VAGIORJODASVBC-UHFFFAOYSA-N	403.404	3.846	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(Cc4ccncc4)CC3)ccc21	484712748	YDHMFCILNPZUKP-UHFFFAOYSA-N	420.557	3.694	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	726249493	HWVIITUAFSAJNZ-NVXWUHKLSA-N	422.545	3.727	10	20	HHCD	
Cc1nc2ccccc2n1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566984	JNHQSWISBZVPHW-UHFFFAOYSA-N	414.456	3.731	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)cc1	727036907	ABXQQKQULBYWFV-UHFFFAOYSA-N	410.518	3.504	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1	727984918	APRXDVHDWFFHJF-HIOHBZOZSA-N	403.592	3.749	10	20	HHCD	
CN(C)c1ccc(CN(Cn2nc(-c3ccccc3)ccc2=O)CC(F)(F)F)cc1	728904355	NILUCKBFIVVRRH-UHFFFAOYSA-N	416.447	3.998	10	20	HHCD	
CCOc1ccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c(C)c1	730132311	BMZZHWMCRREVDX-UHFFFAOYSA-N	414.525	3.996	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H](C(C)C)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1	731017374	XTZQQFDJVVTXKY-VIZSFHNOSA-N	401.595	3.673	10	20	HHCD	
CCc1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1	731217640	JZRCOKHQIYNMBR-UHFFFAOYSA-N	411.550	3.856	10	20	HHCD	
CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	731977657	PBYZDAURVSRMEV-RXVVDRJESA-N	411.571	3.575	10	20	HHCD	
CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1	734942252	MGWZDTDFQRBFDL-VQTJNVASSA-N	414.594	3.746	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc2c1OCO2	735329281	JOMNPVNTFUPSCX-OMCISZLKSA-N	415.448	3.558	10	20	HHCD	
O=C(c1n[nH]c(C2CC2)c1Br)N(Cc1ccccc1O)C[C@H]1CCCO1	735517491	CNUHBMYMIJDCSD-CQSZACIVSA-N	420.307	3.577	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(O)nc2)c(C)n1-c1cccc(Br)c1	735825348	VCZSIBBVWOGNCS-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
CC(C)(NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(F)c1	737038313	ZWPZUEIWRVWKIM-UHFFFAOYSA-N	403.473	3.660	10	20	HHCD	
COc1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC	742800905	MNTPHYFXMNIMRM-MRXNPFEDSA-N	420.456	3.633	10	20	HHCD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	743313596	LXXCUQMVWBXEAU-WVBUVRCRSA-N	406.542	3.777	10	20	HHCD	
CCN(C[C@@H]1CCCO1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	743912053	QQFMXYNQBQGIKZ-AOHITCTBSA-N	424.613	3.757	10	20	HHCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	744011126	UWIYRWSMKFAHOO-GXTWGEPZSA-N	420.351	3.890	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1	746611495	NMDGEPCSVAHHDP-UHFFFAOYSA-N	417.409	3.500	10	20	HHCD	
Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	746784001	UDQBSBPZDBJBAO-UHFFFAOYSA-N	405.420	3.869	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)cc3)CC2)cc1	747541526	VGWSDCHMRRDDEX-RTBURBONSA-N	424.545	3.663	10	20	HHCD	
CCCC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	748376944	LGYGHMMEQLBSAU-NRFANRHFSA-N	410.514	3.920	10	20	HHCD	
COc1cc(Br)ccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	748631289	CQMIAMXZRWLSKH-CQSZACIVSA-N	419.319	3.785	10	20	HHCD	
CC[C@@H](C)Oc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OC	749673077	ANLKKBZEIABXMO-PILJQMSFSA-N	409.529	3.939	10	20	HHCD	
CCCCCc1nnc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)s1	753863872	NIRBRGJUTDZREV-UHFFFAOYSA-N	407.515	3.773	10	20	HHCD	
CC(C)(C)O[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	753949958	ISNUQQBMWUUAEC-UNMCSNQZSA-N	423.557	3.561	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C4(C)OCCO4)CC3)ccc21	756012816	FCDWNLFWTANSQL-UHFFFAOYSA-N	400.519	3.520	10	20	HHCD	
C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)cc(F)c1O	756355026	FWDFQVLYCXYKBF-RHSMWYFYSA-N	423.326	3.845	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COc3ccccc3S(N)(=O)=O)c2C)cc1C	763275183	LDTBFWYCHXZKKQ-UHFFFAOYSA-N	412.511	3.620	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)c2C)c1	764468629	ZNSPHTAWMSQXLP-NBGIEHNGSA-N	422.617	3.543	10	20	HHCD	
Cc1ccccc1C[C@H](C)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765280338	JWWCIBHQNRPAQV-FQEVSTJZSA-N	419.548	3.972	10	20	HHCD	
C[C@@H](NCCC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)c(F)c1	766456452	HBUAIYWSRFWESA-MRXNPFEDSA-N	417.491	3.977	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC(C(F)(F)F)CC1	767980443	OIPNNFSLNGVVDQ-UHFFFAOYSA-N	402.432	3.772	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC(C)C)c(OC)c1	768016822	QKMYBPPUKCIUPM-UHFFFAOYSA-N	413.518	3.536	10	20	HHCD	
COc1ccc(Br)cc1[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768444964	ONRZOCOLSGYMJA-FUHWJXTLSA-N	420.303	3.926	10	20	HHCD	
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1c(O)ccc2c1CCCC2	769560441	CMWHUEFUYFPISW-AWEZNQCLSA-N	416.518	3.787	10	20	HHCD	
O=C(CCSCc1nc(O)c2ccccc2n1)NCc1c(O)ccc2c1CCCC2	769561754	CIPUOMNNAZRIHO-UHFFFAOYSA-N	423.538	3.860	10	20	HHCD	
CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccncc1	769907276	JHHBWIYZDGOOKA-MRXNPFEDSA-N	417.512	3.531	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cc1F	773287501	SSSAOWWWCCWERL-UHFFFAOYSA-N	417.790	3.819	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccccc2COc2ccccc2)c1	775372740	HUONXNABAKJTSM-GOSISDBHSA-N	420.509	3.947	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccc(N(C)C)cc1	775635532	AIBGJKRJUQHGDJ-GFCCVEGCSA-N	410.927	3.660	10	20	HHCD	
Oc1ccc(CCNCc2cc(Br)cc(Br)c2O)cc1	776086285	FBMZJWPVRYDKLW-UHFFFAOYSA-N	401.098	3.955	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@H](O)[C@@H](C)C2)sc(C)c1-c1ccccc1	778255695	SFWXRFDKXBHKBE-YOEHRIQHSA-N	416.543	3.541	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1O	779039844	SAXSRZLDEOPRIR-ZWNOBZJWSA-N	409.246	3.667	10	20	HHCD	
COc1cc(Br)cc(CNC[C@](C)(Cc2ccccc2)[C@@H](C)O)c1O	791005095	WYRXHQPCPCOXPG-VLIAUNLRSA-N	408.336	3.883	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCC(F)(F)CC1	794297889	ICHYXYSBNPAOOG-QBFSEMIESA-N	416.540	3.987	10	20	HHCD	
COc1ccc(CNC(=O)CSc2nc(C)nc3sc(C)c(C)c23)c(O)c1	794369088	BPQZSVTUJGRFDV-UHFFFAOYSA-N	403.529	3.739	10	20	HHCD	
O=S1(=O)C[C@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)c2ccccc21	796317983	VIUMFTIYNRJACS-QFIPXVFZSA-N	404.535	3.868	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)c1	797745171	XGFPUCQCXXYEAF-CYBMUJFWSA-N	421.490	3.747	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cc(C)ccc2OCc2ccccc2)c1O	799835787	XVCZYSYDJHKGDD-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCc4cnn(C)c4C3)cc2Cl)C1	800051101	LGTMNHMOTDZMPR-NVXWUHKLSA-N	400.954	3.731	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nc(C)cs1	804887981	QOPGVERBDSAHMW-IBGZPJMESA-N	414.575	3.668	10	20	HHCD	
Cc1ccc(CN2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2=O)cc1	805344682	ZCMSSHHQFXNBOO-QGZVFWFLSA-N	422.312	3.608	10	20	HHCD	
COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	807677049	KXVUVSXQQHVXTI-YVHKJVDXSA-N	409.530	3.548	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@H]1CCN(c2ccccc2F)C1	812927121	ZZJQNFMEHKYTJJ-CYBMUJFWSA-N	422.298	3.620	10	20	HHCD	
Cc1nc2ccc(NC(=O)C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)cc2o1	915749059	PLJJTIDERFYBDW-UHFFFAOYSA-N	416.481	3.841	10	20	HHCD	
CCOc1ccccc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	915749410	VSKNZQZIOSKCSA-UHFFFAOYSA-N	405.498	3.790	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCCCN2C(=O)C(C)C)c(C)n1-c1ccccc1	919600607	JTXIKVAJAPZVFW-OAQYLSRUSA-N	410.514	3.857	10	20	HHCD	
CC1=CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1800717894	AWKQYPWXWNJJSN-LLLHUVSDSA-N	418.921	3.749	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@]2(C)C[C@@H]2C)C3)cc1	1845399147	VWKMBDPWPLESOI-BXKMTCNYSA-N	405.542	3.957	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1	27973567	MLDNSOJKVIVWNX-UHFFFAOYSA-N	403.482	3.819	10	20	HHCD	
CCOc1ccccc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	55529619	FFPFBFSWTAXIBS-IRXDYDNUSA-N	416.493	3.533	10	20	HHCD	
COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC(F)F	145695828	LJPMMVQBIZNGGR-CQSZACIVSA-N	406.429	3.624	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4[C@@H](CCCN4C4CC4)C3)ccc21	448195385	BYLKTSGSEKFEDK-REWPJTCUSA-N	409.574	3.993	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)n(C)c2ccccc12	472779607	UIAVLONBVIGHPY-UHFFFAOYSA-N	407.518	3.523	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCc4cc(C(=O)OC)ccc43)ccc21	482071494	ULMJTARYCCKAND-UHFFFAOYSA-N	406.482	3.894	10	20	HHCD	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)ccc1OC	726627620	PDFFVNSPTOYWHY-BOPFTXTBSA-N	414.508	3.599	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(C(=O)NC4CC4)ccc3C)CC2)cc1	726695467	FWKXQDISHGANJP-UHFFFAOYSA-N	422.529	3.686	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3F)n2)cc1	727246957	QRUXAVBZIPSTMV-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
COc1ccc(-n2cnn(CN(C)Cc3ccc(N4CCCCC4)cc3)c2=S)cn1	728896689	IGAUJRYOOCMRDE-UHFFFAOYSA-N	424.574	3.887	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1	732205851	CAAOZPMMNWVGKS-UHFFFAOYSA-N	408.521	3.869	10	20	HHCD	
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(Cl)c1Cl	735522084	SQWVYGBMTVTZBM-VIFPVBQESA-N	403.287	3.562	10	20	HHCD	
Cc1ccc(F)c(N2CCC[C@H](N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)c1	735675100	ACDRGCLCCRUAJL-GCJKJVERSA-N	411.521	3.817	10	20	HHCD	
C[C@H](CCc1cccn1C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	743554574	IFZBURHCTZDVHK-KZNAEPCWSA-N	416.541	3.598	10	20	HHCD	
CCN(CC(=O)N[C@@H]1CCOc2ccccc21)Cc1cc(Br)ccc1O	743871699	JDQLGOQVMTXESB-QGZVFWFLSA-N	419.319	3.617	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H](c3ccccc3)n3cccn3)cc2F)C[C@@H](C)O1	747643165	ZDFDOXKXECNMRO-IXFSTUDKSA-N	422.504	3.542	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F	747652738	JMEINPBOWIYPMY-UHFFFAOYSA-N	400.435	3.853	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1F	747653172	VJTXAVCVUKKSGI-UHFFFAOYSA-N	400.435	3.853	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(NC(=O)c2ccoc2)c1	748996028	YTWVXPPRAKQMDC-UHFFFAOYSA-N	420.469	3.690	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c(C)n1-c1cccc(Cl)c1	749507583	BWUDOESUPVKDOX-GOSISDBHSA-N	401.938	3.542	10	20	HHCD	
C[C@@H](Cc1ccncc1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	749579541	JGEBUIIFNAPJQC-DOTOQJQBSA-N	404.461	3.582	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1F	753863028	RIYBDTGCHDSLQW-UHFFFAOYSA-N	408.817	3.750	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cnn(-c4ccccc4F)c3)CC2)cc1	755835979	BNLOGBLZPPNUEV-UHFFFAOYSA-N	409.465	3.764	10	20	HHCD	
C[C@H](Cc1cnccn1)N[C@H](C)c1cc(Br)cc(Br)c1O	756493752	HJYFWSZUGZVUFY-NXEZZACHSA-N	415.129	3.989	10	20	HHCD	
CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756544428	IAKAPRCHXRSDRC-JKSUJKDBSA-N	416.497	3.993	10	20	HHCD	
C[C@@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc(Br)c(F)cc1O	756889940	ADZICWKFCKGDNA-SNVBAGLBSA-N	422.254	3.865	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CN1Cc1ccccc1	757624082	TTZLEVNXFWSODP-DENIHFKCSA-N	424.614	3.702	10	20	HHCD	
CCN(CC1CCN(c2ccccn2)CC1)C(=O)NCCCSc1nccs1	759589349	HMOGACQONMNQRL-UHFFFAOYSA-N	419.620	3.968	10	20	HHCD	
O=S1(=O)CC[C@@H](CCN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)C1	760858186	ZSOQYJKXNOSECN-DHBDYNCWSA-N	413.539	3.802	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCN(c2cccc(F)c2)C1	761264748	BDCXKIGFFWIDCX-SFHVURJKSA-N	417.868	3.618	10	20	HHCD	
O=C1CN(Cc2ccccc2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761635147	JXWRORQOELZSJT-GOSISDBHSA-N	415.440	3.721	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC	762650588	RSQQSXLEKUMILF-OAHLLOKOSA-N	403.498	3.587	10	20	HHCD	
Oc1c(Br)cccc1CNc1ccc2nnc(-c3ccsc3)n2n1	764934306	KWGZAUWBXIZCDQ-UHFFFAOYSA-N	402.277	3.933	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(OCCN(C)C)c1	765298550	WUAJVISSFRNZDX-HXUWFJFHSA-N	411.590	3.687	10	20	HHCD	
CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(Cl)cc([N+](=O)[O-])c1O	768169112	PHFKIMMZWCSJRC-UHFFFAOYSA-N	407.854	3.813	10	20	HHCD	
COc1ccc(C)cc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769597225	FYDARHQSRVPQCZ-UHFFFAOYSA-N	418.496	3.824	10	20	HHCD	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769669138	UPKXFFANHWMIJW-CJNGLKHVSA-N	408.545	3.905	10	20	HHCD	
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	770833876	ZTKXKEQYMDTKTC-WTOYTKOKSA-N	417.594	3.534	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](O)Cc2ccccc2Cl)cc1	772612534	RCAYEJGDNUBTSK-UNMCSNQZSA-N	416.949	3.517	10	20	HHCD	
C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)c(F)c1	772875204	KGWFNZWJAFINQF-IEBWSBKVSA-N	421.557	3.930	10	20	HHCD	
C[C@@H](NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc(N(C)C)cc1	773986546	CATZSDHIPNKHCE-CTNGQTDRSA-N	423.557	3.638	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1O	775011462	KKRKOYYQSUTFLX-INIZCTEOSA-N	423.510	3.872	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)sc2C)cc1	775144447	YGAILUUAQNYEIF-UHFFFAOYSA-N	416.450	3.987	10	20	HHCD	
CSc1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1	776038096	CQBMPGGIDBCNON-UHFFFAOYSA-N	415.584	3.525	10	20	HHCD	
C[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc2N1C(=O)/C=C/c1cccnc1	776972781	AXVRDACHVGRXFJ-OJKNTLRLSA-N	410.477	3.972	10	20	HHCD	
COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	777665571	KWWFPLCBNLPNRD-UHFFFAOYSA-N	415.905	3.507	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnn(CC(F)F)c3)n2)s1	777668377	WUYDXFYCWKGORL-UHFFFAOYSA-N	404.489	3.696	10	20	HHCD	
CCN(Cc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1)C(=O)C(F)(F)F	779515903	YDEWXCOLCIEGPB-VQHVLOKHSA-N	408.376	3.661	10	20	HHCD	
COc1cc(/C=C(\C(=O)NCCc2ccc(O)c(O)c2)c2ccccc2)ccc1O	781096053	BQZZDAPENMBKRU-UYRXBGFRSA-N	405.450	3.712	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1	782080586	AWYXJTZUQMENNN-UHFFFAOYSA-N	423.561	3.523	10	20	HHCD	
C[C@H](NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)c(F)c1	783309665	LXQZEHQGGONLDE-URLQWDBASA-N	404.448	3.797	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCOc3ccccc3C(C)C)cc2)CC1	786258415	DXBAXDWPHRHDSI-UHFFFAOYSA-N	423.557	3.564	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O	789891816	OADUYWJCEKJWKF-LWUPOJRFSA-N	421.280	3.730	10	20	HHCD	
Brc1cncc([C@@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)c1	790621991	HLQAOWPIWMDBBK-FQEVSTJZSA-N	402.336	3.922	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21	793457386	KBUZZOVWEILRFI-NRFANRHFSA-N	412.555	3.597	10	20	HHCD	
CN1CCC[C@@H](N(C)C(=O)c2ccc(NCc3cc(Cl)cc(F)c3O)cc2)C1	793604387	GHPJXXNUGYHGIN-GOSISDBHSA-N	405.901	3.963	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2-c2csc(C)n2)c1	796789934	KKYLJXVWINXMSC-LBPRGKRZSA-N	411.483	3.649	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1	802116522	HPHWPOZWODNAFQ-IBGZPJMESA-N	419.547	3.503	10	20	HHCD	
O=C(CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)OC1CCCCC1	802457201	NNCOTSBQTLUTRZ-UHFFFAOYSA-N	400.475	3.963	10	20	HHCD	
COc1ccc(CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)[C@H](C)C2CC2)cc1	807097641	PTSRZNXDQVZHMP-GOSISDBHSA-N	423.557	3.513	10	20	HHCD	
CC(C)COc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807512896	NSXICOYGNQGCEA-UHFFFAOYSA-N	411.285	3.989	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1	808095400	ZNFNMJAUWWGXRR-GOSISDBHSA-N	415.530	3.663	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ocnc2C2CC2)c(C)n1-c1ccc2c(c1)OCCO2	808681504	YZJGOFVSOCPFPI-UHFFFAOYSA-N	422.437	3.770	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@@H]3CCCc4c3[nH]c3ccccc43)cc2)CC1	808695108	JPLAUKZZWMBSFV-JOCHJYFZSA-N	409.555	3.570	10	20	HHCD	
Cc1ccc(-n2ncc(NCCc3ccc(O)c(O)c3)c(Cl)c2=O)cc1Cl	811811345	SFUPSBRJIFZKOF-UHFFFAOYSA-N	406.269	3.914	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cn(CC(C)C)nc3C(F)F)CC2)cc1	857439577	CNFUWISSLYGSSU-UHFFFAOYSA-N	406.477	3.838	10	20	HHCD	
CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)sc2C1	857483335	XWCWEEJIUYDVFX-NSHDSACASA-N	423.560	3.624	10	20	HHCD	
CN(CCCOc1ccc(F)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1	916624609	KLYLVLDOHRYYOG-UHFFFAOYSA-N	417.550	3.989	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1	919839606	KMWNCTRZRFKAFC-UHFFFAOYSA-N	423.538	3.581	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1	920921619	NMYMXFPACYBDNH-GBXCKJPGSA-N	424.589	3.967	10	20	HHCD	
CCOC(=O)C1CCC(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	921118766	XYCPBDPUILVLEP-UHFFFAOYSA-N	401.551	3.940	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1cccc(CC(C)C)c1	1117114953	XZUWCRXVNAOBOE-UZLBHIALSA-N	413.514	3.690	10	20	HHCD	
C[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C(=O)OC(C)(C)C	1319290187	MTXPGFCNXYPOLG-DLBZAZTESA-N	409.546	3.816	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNc3ccc(S(=O)(=O)N(C)C)cn3)cc2Cl)C1	1321191237	AINHVPPKGWMJFP-OAHLLOKOSA-N	422.982	3.834	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=CCCS2)cc1	1847845935	IXKXCJSKIAUBEH-SFTDATJTSA-N	421.566	3.930	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	149028099	XQPOGZYSCGXEMZ-LJQANCHMSA-N	400.592	3.868	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1	303015248	NOBKWTOJLWDFHN-LADGPHEKSA-N	423.557	3.833	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc2c(cnn2Cc2ccccc2)c1	437024461	ZXEMGWHGXOHFDT-UHFFFAOYSA-N	413.481	3.585	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CN(C)C[C@H]3c3ccccc3)ccc21	497403436	HDJIYAAXFGCXHY-GOTSBHOMSA-N	405.542	3.732	10	20	HHCD	
CCCc1noc(CCCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	726566861	GEJRIDKESGYCBJ-UHFFFAOYSA-N	422.476	3.731	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1	727037471	GSMUARLSMSUKAD-UHFFFAOYSA-N	415.493	3.552	10	20	HHCD	
CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728197234	BGYBNSOUOGKCSG-PKOBYXMFSA-N	424.541	3.846	10	20	HHCD	
CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N[C@H](C)c1cc(OC)ccc1O	729062470	BMYIVUOAYQJHNU-GFCCVEGCSA-N	404.894	3.995	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCCN1C(=O)c1ccccc1	729322277	GABMQRQATNENKR-JOCHJYFZSA-N	423.582	3.551	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)cc1	729512845	UIMHCHUORHUBRA-DEOSSOPVSA-N	409.574	3.689	10	20	HHCD	
Cc1ccc2cccc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2n1	734063217	GGDUHOQBTVUBJE-LJQANCHMSA-N	417.513	3.567	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCN1Cc1ccccc1	734167490	VHOOUFKHLHQLLQ-QHCPKHFHSA-N	424.614	3.704	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cc(Br)ccc1Cl	734500732	RXDVXKDUIKPHCT-UHFFFAOYSA-N	417.756	3.955	10	20	HHCD	
CC(=O)c1ccc(OCCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	735518237	HVTORAUNYCHQHX-QFIPXVFZSA-N	411.498	3.962	10	20	HHCD	
CO[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1	743553525	NIUBUSSZJJKBMV-HXUWFJFHSA-N	421.900	3.503	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](CSc2ccccc2)C1	743561269	ZUOUAKBIDFRXNJ-FQEVSTJZSA-N	411.571	3.847	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c2cccnc2c1C	743883656	LTHXGZYGSYDGMA-UHFFFAOYSA-N	402.498	3.707	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(C4CCCC4)CC3)cc2)C1	745690504	CHSPLMGVADNCAT-NRFANRHFSA-N	412.578	3.500	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@@]12CCCc1ccccc12	745721133	KMQYGHFCGNHRNB-WIOPSUGQSA-N	406.526	3.548	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3nnc4ccccn34)c2C)cc1F	746458091	HTZMNUCWQPXGLZ-UHFFFAOYSA-N	405.477	3.899	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)ccc21	746879947	LMBVHVDOVNIMAR-IBGZPJMESA-N	424.520	3.768	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)CC2)cc1	748447372	MFWXUENFAHDFRY-UHFFFAOYSA-N	422.529	3.594	10	20	HHCD	
CCN1CC[C@@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C[C@@H]1C	748967823	JYKUAGFXIAVNPN-QFBILLFUSA-N	424.536	3.771	10	20	HHCD	
O=C(c1nn(-c2ccc(F)cc2)cc1O)N(Cc1ccco1)Cc1ccccc1O	752807004	RLVPXCQGQWLDKI-UHFFFAOYSA-N	407.401	3.858	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1cc(Br)c(F)cc1O	756480573	SCYOUWILYAJJOX-CYBMUJFWSA-N	409.299	3.993	10	20	HHCD	
CCc1ccc(-c2csc(NC(=O)COC(=O)/C=C\c3ccc(O)c(O)c3)n2)cc1	759595353	QPIILWOWHHRYMN-POHAHGRESA-N	424.478	3.979	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(N2CCCCC2)CCCCC1	760929129	PTSGVOFAYVDBRQ-UHFFFAOYSA-N	419.953	3.999	10	20	HHCD	
COc1cc(Cl)cc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1O	761198154	MZNRWZIYBAEBRC-HUUCEWRRSA-N	418.921	3.593	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	765319960	DLSKMCUEQIGQFA-FYYLOGMGSA-N	409.530	3.585	10	20	HHCD	
CC(C)CC(=O)N1CCC(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1	765419432	IJSCDWYBQJAWHM-KRWDZBQOSA-N	407.986	3.864	10	20	HHCD	
OC[C@@H](CNCc1cc(Br)ccc1O)Cc1cc(F)c(F)c(F)c1	767710667	GTXXPGUCYMKAOB-LLVKDONJSA-N	404.226	3.513	10	20	HHCD	
COc1cc(O)c(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1OC	768447653	ROYKSURAMYIYGN-UHFFFAOYSA-N	424.541	3.813	10	20	HHCD	
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCN(C(=O)OC(C)(C)C)CC1	774846146	OAVIMMFGXHTETD-UHFFFAOYSA-N	423.510	3.921	10	20	HHCD	
COc1ccc([C@H](C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	774851557	VSKUTDHTKKBPIT-HNNXBMFYSA-N	414.461	3.760	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCCS3(=O)=O)c(F)c2)c2c(O)ccc(F)c21	775582138	ULHOZEPEPXYSOG-MLGOLLRUSA-N	408.470	3.548	10	20	HHCD	
CCCc1nc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1	777130349	QXRLUSOULRAKBV-UHFFFAOYSA-N	414.575	3.991	10	20	HHCD	
CCCc1nc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)s1	777130606	SGEGMMXJPWSGNH-UHFFFAOYSA-N	402.564	3.847	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(C)n1-c1ccc(F)cc1	779193937	VAADQNUSPBIAEE-DEOSSOPVSA-N	403.457	3.969	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1	779372194	XZLTYUMPSIKDDC-DEOSSOPVSA-N	423.582	3.865	10	20	HHCD	
CC(=O)c1cc(CN(C)CC2(c3ccccc3)CC2)c(O)c(CN2CCOCC2)c1	780472382	GLLVBUNBYOCMSN-UHFFFAOYSA-N	408.542	3.591	10	20	HHCD	
CCOc1cccc2[nH]cc(CC(=O)N3CCCN(c4ccc(OC)cc4)CC3)c12	782336819	QZRGUBBOWQWRRI-UHFFFAOYSA-N	407.514	3.857	10	20	HHCD	
COC[C@H](c1ccc(Cl)cc1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	786177213	GRHIZHXSXMAXPU-OAQYLSRUSA-N	403.954	3.684	10	20	HHCD	
CCOc1ccccc1[C@H](CC)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	787877537	OTZTYJBRHVPTFH-QFIPXVFZSA-N	423.557	3.910	10	20	HHCD	
CCN(CC)Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	787895800	ICSJJGLVLSLGJJ-UHFFFAOYSA-N	424.589	3.970	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cn1	790106422	HWOXSOLUKIEFTE-WJDWOHSUSA-N	403.504	3.709	10	20	HHCD	
Cc1ccc(CN2CC[C@H](NCc3cc(Br)cc(C)c3O)C2=O)cc1	792194850	AMCUAEMDOYJRPZ-SFHVURJKSA-N	403.320	3.662	10	20	HHCD	
Cc1cc(C(=O)N2CC([C@H]3CCOC3)C2)c(C)n1-c1ccc(Br)cc1	792608821	UUELAQMPGHXLDH-HNNXBMFYSA-N	403.320	3.965	10	20	HHCD	
Cc1ccccc1-c1noc(C)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	793581467	CQOZQXHFPMIGOQ-UHFFFAOYSA-N	423.488	3.989	10	20	HHCD	
CN(C)c1ccc([C@@H](CNCc2cn3ccccc3n2)NC(=O)OC(C)(C)C)cc1	798270818	VCAFXEOBSCLMKO-HXUWFJFHSA-N	409.534	3.756	10	20	HHCD	
CCOc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1	800030535	XDZCDIVRZFMHFT-UHFFFAOYSA-N	404.469	3.738	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CCC(=O)c3cnn(C)c3)cc2Cl)C1	800344373	QXCHADHZJOAUBN-OAHLLOKOSA-N	402.926	3.589	10	20	HHCD	
CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1	804312254	AUGOSSOLGJXHDI-SINXNMPMSA-N	424.497	3.762	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2c(C)oc3ccccc23)cc1F	804852116	ZUIJFPREZNOAGK-UHFFFAOYSA-N	411.477	3.659	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807840330	ZCTFHQOMGALNBI-BFUOFWGJSA-N	415.317	3.962	10	20	HHCD	
CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)s1	808526533	QPVVIRGYNPEBRQ-UHFFFAOYSA-N	414.921	3.679	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2c(C)oc3ccccc23)cc1	809498010	DWHLITQLRNWPIJ-UHFFFAOYSA-N	407.514	3.862	10	20	HHCD	
CC[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1O	810212998	JKFKUECZNPBQRY-XJKSGUPXSA-N	413.392	3.620	10	20	HHCD	
COCC[C@@H]1COCCN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	813159370	ZSOJQTHKSMHSOZ-SJLPKXTDSA-N	409.958	3.523	10	20	HHCD	
Cc1cc(C(=O)NCCCc2nnc(S)n2C)c(C)n1-c1cccc(Cl)c1	818236786	FXZXSEDWWKJIPY-UHFFFAOYSA-N	403.939	3.527	10	20	HHCD	
O=S(=O)(c1ccccc1C(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1	819422364	ZQWYVKQMTHKCBC-HNNXBMFYSA-N	415.433	3.781	10	20	HHCD	
C[C@@H]1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788427404	XCEISYNJXQPZAH-RDTXWAMCSA-N	409.486	3.677	10	20	HHCD	
CC(=O)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)C1	1808992206	NFOPVZJZPBHNJV-UHFFFAOYSA-N	421.541	3.528	10	20	HHCD	
CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830736808	JYYIYHBXJLLWNW-KRWDZBQOSA-N	408.926	3.785	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)C2=CCCS2)C3)cc1	1845398044	SSPAAPVXIQASQM-UHFFFAOYSA-N	421.566	3.932	10	20	HHCD	
Cc1cccc(-c2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2C)c1	18279782	GHFWZVIRKXYULS-UHFFFAOYSA-N	409.559	3.607	10	20	HHCD	
CNC(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1	24781964	SFWHRENVKNWIHS-UHFFFAOYSA-N	405.901	3.527	10	20	HHCD	
Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	109181207	AGSXGBVXXKKJHR-HNNXBMFYSA-N	411.527	3.968	10	20	HHCD	
COc1ccc(N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1	327223356	MPHUZHKKUPIZPO-UHFFFAOYSA-N	406.280	3.688	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)c2c(c1)C[C@H](C)O2	727861639	YYRJBTIMNBGFAU-UJFYRASASA-N	414.508	3.828	10	20	HHCD	
Cc1c(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-]	728836170	SQAWIAXCKPNFJH-UHFFFAOYSA-N	418.453	3.647	10	20	HHCD	
C/C=C/COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	729075355	FDSDQWNRWHWYOI-QLFLHOAISA-N	412.330	3.770	10	20	HHCD	
COCCN(CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(=O)OC(C)(C)C	733949592	ASQCFCNAKKQROA-UHFFFAOYSA-N	419.566	3.519	10	20	HHCD	
CN1CCCc2cc(CNC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])ccc21	735007057	BBAWQNSINFELGG-UHFFFAOYSA-N	403.866	3.716	10	20	HHCD	
O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)OCCCF	741446178	VQYWLMNEZMYDLW-XYOKQWHBSA-N	418.309	3.553	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1	742498266	NKBWLCRVEUBJAY-QHCPKHFHSA-N	407.558	3.991	10	20	HHCD	
COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1N1CCOC1=O	743233833	ZJTVHEAUVNTGKF-UHFFFAOYSA-N	424.501	3.914	10	20	HHCD	
Cc1cc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(C)n1-c1ccc(F)cc1	743765256	GWMUJONSAXHCAK-VWLOTQADSA-N	421.516	3.600	10	20	HHCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC	743870221	LZIZGOCXPYCEHS-IRXDYDNUSA-N	400.519	3.887	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2	745828704	SPRJVRONDKOIQE-UHFFFAOYSA-N	421.444	3.733	10	20	HHCD	
CC(C)N(CCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)C	746415655	SGSQKFICZRPUIW-RTBURBONSA-N	422.589	3.747	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1sc(N2CCCC2)nc1Cl	746856016	OPCXHBWMOUYVJV-UHFFFAOYSA-N	420.966	3.506	10	20	HHCD	
O=C(N[C@H]1CCN(c2ncccc2F)C1)N(Cc1ccco1)Cc1ccccc1O	756156539	SSHCHENWRRFTMA-KRWDZBQOSA-N	410.449	3.510	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cc1	756678942	BUPWSCIHOMXPJH-UXHICEINSA-N	417.575	3.628	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccccc3CCC(F)(F)F)ccc21	757258949	JLMGKPKVTOTXIX-UHFFFAOYSA-N	419.447	3.819	10	20	HHCD	
COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(C)c2ccc(OC)c(F)c2)c1	757851235	GGSKNJMNZJOZBQ-LJQANCHMSA-N	402.466	3.651	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1	759364077	WMGBBKFCQLJMRH-XMMPIXPASA-N	424.589	3.575	10	20	HHCD	
CCN(CC)c1ccc(CN2C(=O)CN(Cc3cc(OC)cc(OC)c3)C2=O)cc1	761089153	GJKPLQASNXXQSO-UHFFFAOYSA-N	411.502	3.514	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(I)c2C)c1	761542498	RBFBUYJZAGBUER-NSHDSACASA-N	411.239	3.805	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@@H](CO)Cc2cccc(Br)c2)c1O	763444168	NYNXKFCRMDPNDG-ZDUSSCGKSA-N	414.727	3.758	10	20	HHCD	
O=C(N[C@H]1CCCC[C@H]1N1CCOCC1)N(Cc1ccccc1O)C1CCCCC1	764373168	FAKGBKDWHWUIDN-FCHUYYIVSA-N	415.578	3.880	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(I)cc1	765281504	HDAIHEJUNPNLGU-HNNXBMFYSA-N	422.310	3.979	10	20	HHCD	
O=C(COCc1nc2ccccc2s1)NCc1cccc(Br)c1O	765751532	FWOUUBIKLFZXHG-UHFFFAOYSA-N	407.289	3.597	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)CN2CCCCc3cc(OC)ccc32)cc1	766269667	MYKNBRNUEONORC-UHFFFAOYSA-N	409.530	3.959	10	20	HHCD	
COc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc2c1O[C@@H](C)C2	767383721	QFSAKKMCJNITHJ-KRWDZBQOSA-N	409.530	3.801	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(Oc4ccncc4C)CC3)CC2)cc1	774834871	YGJDRZJDRBDVKQ-UHFFFAOYSA-N	424.545	3.620	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)nn3[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1	775390425	MVKJCDSEYVMHRH-WFXMLNOXSA-N	409.534	3.915	10	20	HHCD	
C[C@H](NC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccc(N(C)C)cc1	775476567	DIXWTUQYZVDPSY-KRWDZBQOSA-N	410.518	3.637	10	20	HHCD	
C[C@H](NC(=O)N[C@H](CCO)c1ccccc1Br)c1ccc(N(C)C)cc1	776243455	BUFDSSJIKCGTTC-IFXJQAMLSA-N	420.351	3.999	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCCOc4cc(F)ccc43)CC2)cc1F	776942232	VPYKKYIRBVPVDG-LJQANCHMSA-N	417.456	3.719	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1	777668999	CRIGGFPOMLPIEH-UHFFFAOYSA-N	403.504	3.902	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)NCc1ccco1	777823566	USRQCYCVNZOEAF-QGZVFWFLSA-N	407.470	3.574	10	20	HHCD	
O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)NC(=O)NCc1ccco1	784499549	PMPVAGAYJYZJOV-UHFFFAOYSA-N	422.397	3.583	10	20	HHCD	
C[C@@H](NCCc1cncn1C)c1cc(Br)cc(Br)c1O	788257822	RAJNJQXGFLKUCS-SECBINFHSA-N	403.118	3.544	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1	788931283	ZWTACDZTZZPOGN-UHFFFAOYSA-N	423.532	3.523	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)c1	792223750	DUDPSCUCDGJDEY-VIFPVBQESA-N	413.257	3.532	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1	796433164	WOXQIHJHQMMCTH-FQEVSTJZSA-N	424.372	3.731	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1c(F)cc(F)c(F)c1F	797430074	MYTJGVONMYLBOS-UHFFFAOYSA-N	413.440	3.796	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C(=O)O)c2cc(F)ccc2F)cc1F	797720317	VQPRRZXSGJVSKH-GOSISDBHSA-N	409.408	3.575	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cnc2ccccc2c1	800930133	WEXNUHSIAGFIDU-UHFFFAOYSA-N	422.554	3.568	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1ccc(C)cc1-c1ccnn1C	802640384	GLDPRVYKMVOTNU-UHFFFAOYSA-N	413.905	3.930	10	20	HHCD	
CCCN1C(=O)N(Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C(=O)[C@@H]1COC	804187937	HQKYFSDZCCGZFP-KXBFYZLASA-N	407.942	3.766	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c(Cl)c1	805136008	YTUWJMQPSQTJKV-UHFFFAOYSA-N	411.650	3.739	10	20	HHCD	
CC(C)SCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	805225796	NKNJRTCIFAVSJZ-KAMYIIQDSA-N	414.643	3.987	10	20	HHCD	
Cn1ncc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1-c1ccccc1	806779191	VGFBKSATSRQXLV-UHFFFAOYSA-N	423.492	3.509	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1	806885191	BXDANVPXEVCWMK-VIFPVBQESA-N	416.783	3.889	10	20	HHCD	
CC(C)Oc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)N(C)C)cc1	807591685	IEXUGKKJFOTECN-HSZRJFAPSA-N	412.578	3.984	10	20	HHCD	
COc1cc(Cl)c(C)cc1-n1c(SCC(=O)C(C)=O)nc2ccccc2c1=O	808010426	XOIYTEPNFSCYED-UHFFFAOYSA-N	416.886	3.606	10	20	HHCD	
CC(C)(C)[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1	808085016	SYNPDJIYOOMXNR-WIYYLYMNSA-N	416.562	3.763	10	20	HHCD	
COc1ccc(Sc2nsc(NC(=O)NCc3cccc(OC)c3O)n2)cc1	809920796	DDPOMHBPACSDDV-UHFFFAOYSA-N	418.500	3.734	10	20	HHCD	
CC[C@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C(F)(F)F)cc1O	810217320	AKDVAXBVNIHCJN-PBHICJAKSA-N	407.436	3.830	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN1C(=O)Nc1ccccc1	813425757	SQWYDZPVERLKQK-QFIPXVFZSA-N	406.530	3.990	10	20	HHCD	
CCOC(=O)CN1C(=O)C(F)(F)c2cc(NCc3cc(C)c(C)cc3O)ccc21	815144031	ZJRZNOZGQBYCPM-UHFFFAOYSA-N	404.413	3.623	10	20	HHCD	
O=C1/C(=C\c2ccc(OCCN3CCCC3)cc2)SC(=S)N1c1cccnc1	914702439	GVDLOEHFZNVEFJ-XMHGGMMESA-N	411.552	3.962	10	20	HHCD	
COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	914903492	MHEDFQMGDAFIHI-WMZOPIPTSA-N	421.497	3.920	10	20	HHCD	
CCOC(=O)/C=C/c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	915696668	GDXHTYQWGMEGHB-MDWZMJQESA-N	423.513	3.763	10	20	HHCD	
Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915780424	VFXSHKPCGDSQLR-LJQANCHMSA-N	402.458	3.968	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2F)C[C@@H](C)O1	917713579	SJKLDOUCNSBHCW-BETUJISGSA-N	421.856	3.931	10	20	HHCD	
CC[C@H](C)[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	917832188	MXOWOLHUBHGTGY-QTGUNEKASA-N	407.558	3.834	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1-c1cccc([N+](=O)[O-])c1	917925281	ICEUYCZKHKEQHB-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
O=C(Nc1cccc2cccnc12)C(=O)N(Cc1ccco1)Cc1ccccc1O	918293893	HLDWQLRYMPNLFV-UHFFFAOYSA-N	401.422	3.701	10	20	HHCD	
CSc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1[N+](=O)[O-]	920494328	JZJXHBVNQPLXND-INIZCTEOSA-N	402.472	3.844	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc(CS(=O)(=O)c2ccccc2)o1	1329518121	JGVFLZXZWAJPNG-UHFFFAOYSA-N	417.830	3.695	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCC(=O)N1CCN(c2ccc(F)cc2)CC1	1337786815	YWBSTHVIIQNEEE-PXNSSMCTSA-N	411.521	3.717	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CCc3nc(COC)nn3C2)cc1	236972983	HXZYSNWJYZXRTG-OAQYLSRUSA-N	405.546	3.556	10	20	HHCD	
CCc1ccc(CNC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)s1	303253221	BJYOONRMJDXVBH-UHFFFAOYSA-N	404.555	3.591	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n(C)c2ccccc12	472241218	QCMRZBPUAGHUDZ-QGZVFWFLSA-N	410.562	3.667	10	20	HHCD	
COc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)ccc1C(F)(F)F	472801101	AXQVCXAKJKKSRP-UHFFFAOYSA-N	419.403	3.769	10	20	HHCD	
CCOC(=O)C1CCC(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1	487004568	YOGRWYOQRFYJSH-UHFFFAOYSA-N	400.519	3.756	10	20	HHCD	
Cc1c(Br)cccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	727036378	DRJNNFTWXVPBMX-UHFFFAOYSA-N	416.319	3.613	10	20	HHCD	
CC(C)(CCc1ccccc1)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	727599997	FUQRJDZNYRJZDB-OAQYLSRUSA-N	422.573	3.599	10	20	HHCD	
CCN(CC)C(=O)c1ccc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	729360322	PJOLMCXAQQRJCK-UHFFFAOYSA-N	409.530	3.576	10	20	HHCD	
COC(=O)c1ncn(CC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)n1	732717282	DPUGGIXNXQZZJJ-UHFFFAOYSA-N	407.257	3.662	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1	734016752	COSRFIVZAGAMNR-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1	734218060	FNZSZFRRBHVXRD-SFHVURJKSA-N	416.566	3.826	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1O	735368727	DPJKDEHKHZITHO-UHFFFAOYSA-N	410.430	3.637	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c(C)n1-c1cccc(Cl)c1	742107503	LTQHOQLDODVPII-SFHVURJKSA-N	401.938	3.542	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cncc(Br)c1	743808888	IILCCIVBFFPIBY-UHFFFAOYSA-N	414.097	3.975	10	20	HHCD	
O=C(Nc1cnn(CC(F)F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746032038	MVDNENJWAWQXQV-GFCCVEGCSA-N	415.391	3.540	10	20	HHCD	
CCc1nc2c(s1)[C@H](N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCC2	749446068	YTWWQZCONAFDEH-LJQANCHMSA-N	400.592	3.739	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2	749581621	ACYHNPNFIARWSL-MBSDFSHPSA-N	407.558	3.981	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)c3cccc(C)c3)CC2)c1O	750036415	OHEGSWGVRBEDLP-UHFFFAOYSA-N	400.906	3.905	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(C)cc2Br)c1	751319646	ZNLXGJYKEDPIPA-NSHDSACASA-N	400.294	3.511	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1	752023382	IVYRRDFIONKLGX-MRXNPFEDSA-N	412.490	3.941	10	20	HHCD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	752310049	KGNJXRAMHAXBQL-UHFFFAOYSA-N	421.423	3.654	10	20	HHCD	
COc1ccc(CCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1	753970067	HXWKQKXEGYEGQK-GOSISDBHSA-N	412.530	3.741	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	754128500	MZTYZBAVYNQWBR-QRVBRYPASA-N	421.488	3.514	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cc(C)cc(C)c3O)C2)cc1	754730601	SZNNMPBRNDYPHV-LJQANCHMSA-N	402.560	3.508	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(Br)c(F)c1	755196987	ZFYGRALEPFRXPO-UHFFFAOYSA-N	422.342	3.745	10	20	HHCD	
C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccc(F)cc1O	756756914	AOYUVYFOPDRTMB-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)c1C	758175724	LRZQWYNMOFXVSZ-UHFFFAOYSA-N	408.523	3.662	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	759567850	BLYJWJOEYDGLNW-ZDUSSCGKSA-N	412.531	3.729	10	20	HHCD	
Cc1nc2ccccc2n1CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	760943143	KTDCACDTSNCPSS-UHFFFAOYSA-N	412.877	3.558	10	20	HHCD	
Cc1cc(C(=O)N2CCC(S(C)(=O)=O)CC2)c(C)n1-c1cccc(C(C)C)c1	760953755	JOEHEHWDUDKNIQ-UHFFFAOYSA-N	402.560	3.867	10	20	HHCD	
C[C@@H](NC1CCN(Cc2ccncc2)CC1)c1ccc(N2CCOCC2)cc1Cl	765106348	OMKHNHZFXHJFNZ-GOSISDBHSA-N	414.981	3.887	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1CCCCN1C(=O)c1cccs1	765751228	BHDFMEJDFOUPEX-AWEZNQCLSA-N	423.332	3.527	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(Br)c2O)c(C)n1-c1nccs1	765753009	LTYBXTIETJWELW-UHFFFAOYSA-N	406.305	3.949	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NC2CCN(CC(F)(F)F)CC2)C1	765992342	IQXLBWWLHOBGDO-KRWDZBQOSA-N	405.892	3.626	10	20	HHCD	
C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	766894477	UZIYZBLTYYSTND-YVHKJVDXSA-N	415.509	3.535	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc2n[nH]cc12	767124626	BOYXSRNJFXKJJC-GASCZTMLSA-N	411.481	3.946	10	20	HHCD	
O=C(NCc1ccc(F)cc1)C1CCN(Cc2cccc(Br)c2O)CC1	768346377	MCSWSPKSPUDZTI-UHFFFAOYSA-N	421.310	3.822	10	20	HHCD	
Cc1cc(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)n1-c1ccc(F)cc1	769629173	PFMLXVDXCGKSKD-UHFFFAOYSA-N	407.405	3.948	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc2cccnc2s1	773606023	WHVJETFXFJANRV-GFCCVEGCSA-N	404.442	3.692	10	20	HHCD	
COc1cc(O)c(CNCc2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1OC	776005946	FMAQDYORRHMBPL-UHFFFAOYSA-N	420.509	3.938	10	20	HHCD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	777826480	OCIFHFXIPCAUSU-MRXNPFEDSA-N	408.458	3.985	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	777828997	SKYUAEKCWXEBRN-KBPBESRZSA-N	409.816	3.629	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cncnc3-c3ccccc3)cc2F)C[C@@H](C)O1	777849418	SFIRNTYYXAUZKM-IAGOWNOFSA-N	420.488	3.826	10	20	HHCD	
CC(=O)c1cc(F)cc(CNC(C)(C)COc2ncccc2Br)c1O	779605477	FFKMFHABYXFGLP-UHFFFAOYSA-N	411.271	3.839	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cnc2ncc(Br)cc2c1	780346145	CEWUFODTSNKMLP-UHFFFAOYSA-N	411.303	3.923	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCCSc2nccs2)CC1	780537587	GMGPFBQTFYJZHM-AWEZNQCLSA-N	414.597	3.714	10	20	HHCD	
CCOc1cc(CN(C)c2ccc(OC)c(F)c2)ccc1O[C@@H](C)C(=O)N(C)C	780779812	YTLPRJLRZCPCPB-HNNXBMFYSA-N	404.482	3.725	10	20	HHCD	
COC(=O)Nc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1	784108766	LQAARLSCBDVPJP-UHFFFAOYSA-N	410.474	3.609	10	20	HHCD	
CC1(C)CC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc21	788933698	WXWCZVZUHGFVIV-FQEVSTJZSA-N	419.569	3.874	10	20	HHCD	
COc1ccc([C@@H](CN(C)C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	793574583	USQMEHBAXPJRRP-HTAPYJJXSA-N	401.526	3.624	10	20	HHCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl	794805259	PSMHDBIBMSHLCG-JTQLQIEISA-N	420.337	3.697	10	20	HHCD	
CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CCOCC1	794967084	CXGUIXFUTIFVDY-UHFFFAOYSA-N	414.468	3.611	10	20	HHCD	
CC(=O)NCCN(Cc1ccc(N(C)C)cc1)Cc1ccc(Br)s1	800499998	ONSXMCVOBWSKEJ-UHFFFAOYSA-N	410.381	3.715	10	20	HHCD	
O=C(NCc1noc2c1CCCC2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806878569	SRCVVTMZPWWAKY-AWEZNQCLSA-N	420.460	3.623	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1Br	808124115	LGEWHGFIVVOUDE-SNVBAGLBSA-N	400.229	3.901	10	20	HHCD	
CC(C)(C)c1cc(CN2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(O)c(C(C)(C)C)c1	809704664	HYHHOKPUYOPRDP-XDHUDOTRSA-N	415.578	3.940	10	20	HHCD	
COc1ccc(S(N)(=O)=O)cc1NCc1ccc2c(c1)CCN2Cc1ccccc1	864043120	ISUABHRMHXYFBA-UHFFFAOYSA-N	423.538	3.517	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCNC(=O)c1ccc(F)cc1F	914508267	YQUGSOIKSMYHHC-UHFFFAOYSA-N	417.500	3.978	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc2c(c1)OC(F)(F)O2	916673547	VFMWGESWNUPZKP-UHFFFAOYSA-N	407.442	3.883	10	20	HHCD	
CCOc1ccc(C(=O)CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	917364845	PAXRZJNWWXPJBW-NRFANRHFSA-N	411.498	3.962	10	20	HHCD	
Cc1cccc(C)c1OC[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	919923649	MGXQIYPNKJMLQT-SFHVURJKSA-N	415.509	3.546	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	920868622	HBUUNNHVAMVQEL-LJQANCHMSA-N	421.541	3.889	10	20	HHCD	
CCOC(=O)c1n[nH]c(-c2cccc(CNCc3ccc(N4CCCC4)cc3)c2)n1	1117595917	SJRGBVPUNXADME-UHFFFAOYSA-N	405.502	3.538	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12	1320142553	LRIAWFMFCPSPBE-NJYVYQBISA-N	419.477	3.645	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CCC=CO2)C3)cc1	1845398918	RPZCVYUYBRYWBQ-QFIPXVFZSA-N	419.525	3.604	10	20	HHCD	
C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N(C)Cc1ccc(N2CCOCC2)cc1	11193276	GIYDWBNRAXMVPP-MRXNPFEDSA-N	419.472	3.584	10	20	HHCD	
CN(C)C(=O)c1cccc(NC(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)c1	29924257	KFJJZNHBFXFZED-UHFFFAOYSA-N	421.419	3.678	10	20	HHCD	
COc1ccc(N(Cc2ccco2)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F	303774269	FVNWDKYKPQZQSX-KRWDZBQOSA-N	416.405	3.782	10	20	HHCD	
COc1ccc(-c2noc(CCC(=O)NCc3c(C)c4ccccc4n3C)n2)cc1	471220009	LAODHLRNFDMWBF-UHFFFAOYSA-N	404.470	3.794	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(c3nnc4ccccn34)CC2)n(C)c2ccccc12	472238885	LCOLRLGRWGFPGF-UHFFFAOYSA-N	402.502	3.619	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCSC[C@@H]3c3cnn(C)c3)ccc21	482148212	YXXSXXOPQUEJNE-OAQYLSRUSA-N	412.559	3.568	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2nc(Cc3ccccc3)cs2)n(C)c2ccccc12	501439808	NNVPZQWXHJUCPT-UHFFFAOYSA-N	418.522	3.789	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1ccc(Cl)c(Cl)c1	608259084	CKOQYPSVKGKCSU-UHFFFAOYSA-N	401.315	3.788	10	20	HHCD	
CCCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731014645	DKYQIONGYYJEDB-FQEVSTJZSA-N	403.592	3.631	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCCNC(=O)NC3CCCCC3)cc2)CC1	731016081	MIJSMIKYOIVALB-UHFFFAOYSA-N	414.594	3.951	10	20	HHCD	
CCc1cccc(NC(=O)CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731049620	GNOGJEUSOPVDCA-UHFFFAOYSA-N	408.546	3.923	10	20	HHCD	
CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(C)n(-c2ccccn2)c1C	732083847	VUCKKRLJCSABPQ-OAQYLSRUSA-N	405.498	3.736	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)c1	735383591	DMQMTHYVWBKSHT-WBVHZDCISA-N	401.482	3.878	10	20	HHCD	
CCN(CC)c1ccc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc1F	740167851	NMSUOGNCCODTQT-VBKFSLOCSA-N	410.536	3.826	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(NC(=O)C2CC2)cc1	740920131	TYDXIDPFAVTMOQ-KRWDZBQOSA-N	404.514	3.972	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccncc1	743554587	IMXHGFVWLRJXKL-FTRWYGJKSA-N	400.498	3.785	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)Oc2ccc(Br)cc2)c1	743705368	OZQMPVRLBWYSPA-STQMWFEESA-N	423.307	3.991	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1CN1CCOCC1	745332897	IIAVEXYZHNCFDQ-UHFFFAOYSA-N	424.589	3.705	10	20	HHCD	
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)n1	745837018	JDRXNEKTMVCIQP-KRWDZBQOSA-N	413.522	3.521	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H]1CCc2c(O)cccc21	745865978	XDFOZFDMHACYMZ-LIRRHRJNSA-N	417.456	3.949	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)ccc21	746880211	YUKOOYFYDQMKJT-IBGZPJMESA-N	415.946	3.842	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H]1CCCSC1	748735626	UUAPFLOYWWFYAZ-LQELWAHVSA-N	412.627	3.741	10	20	HHCD	
CCSCC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751069395	LUAMMXJBEJIWQC-GFCCVEGCSA-N	414.574	3.516	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CC(c2c(F)cccc2F)=NO1	751307568	JTNUVJVBHDSJRX-QGZVFWFLSA-N	419.391	3.806	10	20	HHCD	
C[C@H](Oc1cccc(F)c1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	751403785	FPXRIPNQFJRRHD-HTAPYJJXSA-N	400.494	3.867	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc2ccc(Cl)cc2n1	752586692	OAQJIMYGLWKILK-UHFFFAOYSA-N	411.889	3.770	10	20	HHCD	
Cc1cc(F)cc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1[N+](=O)[O-]	753094730	OAQHYUNFPOISRT-UHFFFAOYSA-N	412.465	3.827	10	20	HHCD	
CCc1cc2c(CN3CCN(c4ccc(OC)c(F)c4)CC3)cc(=O)oc2cc1O	753858606	YZJYRMKGBCUNEI-UHFFFAOYSA-N	412.461	3.531	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1	756432323	QAFXMROERMUHNH-SJORKVTESA-N	418.559	3.672	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1	758566780	ZIVAQSURDVYKHR-LJQANCHMSA-N	405.445	3.637	10	20	HHCD	
CC(C)Cn1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C(F)F	759131716	HYCHFVKOPDDVIA-UHFFFAOYSA-N	420.504	3.615	10	20	HHCD	
C[C@@H](NC[C@H](CO)Cc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O	760031806	FPZMEZKTSLDHJC-TZMCWYRMSA-N	409.280	3.565	10	20	HHCD	
COc1ccc(C[C@H](C)CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	761666353	HNMMSTYLBWCQJL-IBGZPJMESA-N	411.546	3.552	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CC4(CCC4)Oc4ccccc43)cc2)C1	765250185	BSZHPFSKUCSOAV-KNQAVFIVSA-N	405.542	3.924	10	20	HHCD	
CSc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1Cl	766502648	RIQVCXDJGXROTK-UHFFFAOYSA-N	400.938	3.720	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCc4c(F)cc(F)cc4C3)CC2)cc1	766937102	AFYIJZCSHPHZDV-UHFFFAOYSA-N	401.457	3.710	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2cncc(Br)c2)C1	767181991	UOORZTBSQFKRMC-KRWDZBQOSA-N	410.743	3.957	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cnc1Cl	767676241	PPKULAMYLLLXOA-UHFFFAOYSA-N	417.846	3.946	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NC3CCN([C@H]4CCCC[C@@H]4O)CC3)c2C)c1	769316903	PHVASWLGAFRDTG-ZEQRLZLVSA-N	409.574	3.900	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)s1	769866844	RJNVSPBFMFIXAZ-OAHLLOKOSA-N	422.597	3.877	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CCCC2)cc1	771962320	HFJOZQINJDGKRO-MJGOQNOKSA-N	416.566	3.874	10	20	HHCD	
C[C@@H](CNC(=O)OC(C)(C)C)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl	773098227	ZMWDDYUZLRTYEW-HZPDHXFCSA-N	411.974	3.988	10	20	HHCD	
C[C@H]1CN(Cc2ccc(CNC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1	773208020	FDITZAFETLIQFR-ZCNNSNEGSA-N	424.589	3.922	10	20	HHCD	
C[C@@H](NC(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	773627557	OUGLXOMXLFIGNS-VQIMIIECSA-N	404.555	3.855	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2cc(C=O)c3ccccc32)cc1	773876758	CYWDKAFYNMRTDA-QFIPXVFZSA-N	419.525	3.728	10	20	HHCD	
C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc2c(cc1O)CCCC2	775579986	GBELZFBQBRGJKB-HNNXBMFYSA-N	418.534	3.801	10	20	HHCD	
CN1CCN(c2ccc(CN(C)[C@@H](c3cccc(F)c3)c3cnn(C)c3)cc2)CC1	775671304	YUTBQKFYOZSCPB-DEOSSOPVSA-N	407.537	3.532	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(=O)[C@@H](C)C3(C)C)cc2F)C[C@@H](C)O1	780397621	NZJOHHNQWDAVAF-HPFXQQBRSA-N	404.526	3.697	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2ccc(N3CCCCC3)cc2)C1	780504163	LUWGSNMLCWBVAO-HYBUGGRVSA-N	413.562	3.940	10	20	HHCD	
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1	784290983	WFRWPENUAQJXRN-UHFFFAOYSA-N	404.580	3.625	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2oc3ccccc3c2c1	785294249	LSXSIGWLALYMTQ-ZDUSSCGKSA-N	404.422	3.683	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)c1ccco1	785550712	MXOHOTOXVWLMIB-QFIPXVFZSA-N	405.498	3.600	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc2ccccc2o1	785585972	BHYCYBNVDPWSGX-VQIMIIECSA-N	420.513	3.695	10	20	HHCD	
O=C(NCc1c(F)cccc1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O	786908776	CVMVRSQWOREQJQ-UHFFFAOYSA-N	416.836	3.623	10	20	HHCD	
CCc1csc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1	789407447	AKLGVUVGOCMAET-UHFFFAOYSA-N	400.548	3.729	10	20	HHCD	
CC(C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	789854869	FTOZNPHFKQSPFK-UXHICEINSA-N	417.619	3.577	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1F	793539744	HBKSVWBVFLIWBG-NRFANRHFSA-N	415.484	3.695	10	20	HHCD	
COc1cccc(CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1F	795359955	IMBHPJRLYYYWLK-HZPDHXFCSA-N	418.484	3.836	10	20	HHCD	
Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	796871371	ZDIGDABAFQRKAD-UHFFFAOYSA-N	415.493	3.896	10	20	HHCD	
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3)n2)c(F)c1	798155554	QYCSUJHYOFNYCX-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccsc1Br)c1ccc(N2CCOCC2)cc1	801001782	QLTNLHUAIMUJER-CYBMUJFWSA-N	424.364	3.908	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C(=O)OC)CC1	801890840	HSNQOHZVZFHWAA-UHFFFAOYSA-N	407.518	3.762	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3cccc(-n4ccnn4)c3)cc2F)C[C@@H](C)O1	806132398	VVMAJIIKHROGLH-FGTMMUONSA-N	409.509	3.871	10	20	HHCD	
CC1(C)CC(=O)c2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c(O)nc2C1	807837073	ABDXNTIBLKNRFW-UHFFFAOYSA-N	409.269	3.885	10	20	HHCD	
CN1CCCc2cc(CNCc3cn(-c4ccccc4Br)nn3)ccc21	810137565	FGBWEBMONKQUTN-UHFFFAOYSA-N	412.335	3.702	10	20	HHCD	
C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1	812716918	FBAUNKWFVQGKQF-FXAWDEMLSA-N	421.557	3.788	10	20	HHCD	
CCc1nc(C)c(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1	813661116	BDQBVSUOTVUFGJ-AWEZNQCLSA-N	408.449	3.615	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCCOC3=O)cc2)c1	814449313	JRTHPMCYLUORGI-CABCVRRESA-N	413.474	3.869	10	20	HHCD	
COc1cc(OC)cc([C@H](NCc2cc(Cl)c(F)cc2O)c2nccn2C)c1	816561609	DNTSOFNNQHAMHJ-IBGZPJMESA-N	405.857	3.815	10	20	HHCD	
COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	916591214	UVSMVUFYOUBNKS-MRXNPFEDSA-N	401.482	3.574	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCS(=O)(=O)Cc2ccccc2)c1C	918128187	FIJSFTHWCXADRP-UHFFFAOYSA-N	410.539	3.747	10	20	HHCD	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc(F)c(Cl)cc1Cl	919878091	GZOYMLURTPEVOY-UHFFFAOYSA-N	417.289	3.620	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	920866762	KVKDDECUKKZXOE-NFBKMPQASA-N	422.573	3.548	10	20	HHCD	
CC(C)c1cccc(NC(=S)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1	920995202	XERJKYRMMFZMFF-UHFFFAOYSA-N	417.600	3.531	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)CC2)cc1	1317901663	YDESUUKXBZLEAT-UHFFFAOYSA-N	422.529	3.875	10	20	HHCD	
Cc1cc(-c2nnc([C@H](C)NS(C)(=O)=O)o2)c(C)n1-c1cccc(C(C)C)c1	1322400329	CEOIBTPNYBINES-AWEZNQCLSA-N	402.520	3.878	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@H]3C[C@H](C)c4c(C)ccc(O)c43)C2=O)c(OC)c1	1322711572	WNWXXXRCIIYQGJ-SNRMKQJTSA-N	410.514	3.657	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3[nH]c4ccc(C)cc4c3Cl)cc2)CC1	1339633265	ADGJRRBWZWAXFX-UHFFFAOYSA-N	424.932	3.728	10	20	HHCD	
CN(C)CCOc1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726608161	PPWSAGUZHCVZGL-UHFFFAOYSA-N	419.516	3.987	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(N3CCCC3)nc2)cc1	727105008	ZASOEDMJIAUIPH-JOCHJYFZSA-N	408.546	3.569	10	20	HHCD	
COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1	727245135	CZTCIHAPQDBIMW-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3cccc(Br)c3)CC2)cc1	727978274	PKPSQIZLLZCEPK-UHFFFAOYSA-N	421.360	3.899	10	20	HHCD	
COc1ccccc1[C@@H](C)N(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	732202566	WXRJZMPYLFENNR-UYAOXDASSA-N	412.530	3.601	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3cccc(F)c3F)cc2F)C[C@H](C)O1	732823428	TYNXZYURCCWRIY-GJZGRUSLSA-N	421.463	3.759	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1C[C@@H]1c1c(F)cccc1F	734858325	MYPBUDCEHAYBHX-QFBILLFUSA-N	403.498	3.873	10	20	HHCD	
Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N(C)Cc1ccccc1O	735392314	FSYQJBAZWAABCQ-UHFFFAOYSA-N	404.466	3.877	10	20	HHCD	
COC(=O)[C@](C)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)C1CC1	736257263	JSBAABLRJAQSSL-HXUWFJFHSA-N	419.319	3.928	10	20	HHCD	
CC(C)c1nc2cc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)ccc2o1	737166723	PLSDESCIESBCAS-UHFFFAOYSA-N	406.486	3.589	10	20	HHCD	
CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCCCCC3)c2)c1	740846674	BZMBAKJYZHNEAI-UHFFFAOYSA-N	419.522	3.709	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](CN3CCOCC3)C2)c(C)n1-c1cccc(Cl)c1	742107502	LTQHOQLDODVPII-GOSISDBHSA-N	401.938	3.542	10	20	HHCD	
CN(C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc2ccccc2s1	744403117	WWYYRGGBWAFGNX-KRWDZBQOSA-N	411.527	3.646	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1	745832279	XKSNAMJTUQPIRY-UHFFFAOYSA-N	410.497	3.797	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903884	JPGDINVWZNZFKG-MRXNPFEDSA-N	405.445	3.804	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H]1CN1CCCC1	745905680	PTQRDPBLAKVOCO-MJGOQNOKSA-N	422.520	3.527	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccn(CC(F)(F)F)n1	746141468	YJWUIJMGPMNBRX-UHFFFAOYSA-N	421.217	3.968	10	20	HHCD	
O=C(NCCCc1ccc(Cl)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	749419297	FUMFAAARWUYQEN-UHFFFAOYSA-N	419.928	3.872	10	20	HHCD	
CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NC1CCCCC1	751930771	ITTPADBWDWHHBT-HXUWFJFHSA-N	415.559	3.946	10	20	HHCD	
Cc1ccnc(Oc2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cc2)n1	753907158	ZYCAKLNUIPDWKL-UHFFFAOYSA-N	419.485	3.736	10	20	HHCD	
O=C1N[C@@H](c2cccs2)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761634705	FCIZFVCFBSTFOC-BBRMVZONSA-N	407.442	3.611	10	20	HHCD	
CC(C)CN(CC(C)(C)C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	762272110	OZAPNXAEACSIEG-IBGZPJMESA-N	402.583	3.602	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2nnc(-c3ccco3)o2)cc1	762829412	DDGMQRCKPBFIHG-UHFFFAOYSA-N	406.398	3.533	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@H](OC)c3ccccc3Cl)CC2)cc1F	763684085	ZRYJWHQEVICIGE-FQEVSTJZSA-N	421.900	3.707	10	20	HHCD	
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1	764764370	PFYFXCRLRDCYJY-RHSMWYFYSA-N	418.335	3.789	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1CCCN(Cc2ccccc2)C1	765736570	OUDFZLGMSZHZDR-QGZVFWFLSA-N	403.320	3.683	10	20	HHCD	
C[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	766593055	AWWFMNUOIWPPAZ-NSHDSACASA-N	413.362	3.682	10	20	HHCD	
Cc1cc(F)cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1[N+](=O)[O-]	767937363	XIAHZIZOGLMKTQ-UHFFFAOYSA-N	400.454	3.825	10	20	HHCD	
COc1ccc2c(c1)OC[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C2	768103428	HIMIKGFUMQTGNH-GOSISDBHSA-N	408.454	3.709	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ncn(-c3ccccc3)n2)c(C)n1-c1ccccc1	768688763	ZXLYBHUXOZOCEF-UHFFFAOYSA-N	400.438	3.715	10	20	HHCD	
Cn1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(-c2cccs2)n1	769551499	MMVOXCFLBWMHCG-UVTDQMKNSA-N	421.569	3.995	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)cc(Br)c1	773472416	XFDXSMXPTJTTGB-UHFFFAOYSA-N	415.081	3.595	10	20	HHCD	
Cc1ccc(NC(=O)C2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)nc1	773624509	NMTWZFXXNTXHGR-QGZVFWFLSA-N	409.534	3.577	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1-c1ccc(F)c(Cl)c1	773987350	BFXTYYILIQDOFE-LBPRGKRZSA-N	401.873	3.925	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1O	775028135	BUSODBULABNPOO-CQSZACIVSA-N	423.416	3.669	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccnn3-c3ccccc3C)CC2)cc1	775361763	CWXIDCCRZSUMSR-UHFFFAOYSA-N	405.502	3.934	10	20	HHCD	
COC(=O)c1ccoc1CSc1ccccc1C(=O)NCc1ccc(O)c(O)c1	778924102	WLDKKMSYRFRERA-UHFFFAOYSA-N	413.451	3.700	10	20	HHCD	
Cc1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cnn1-c1ccccc1	783329016	WGSKIXQJLDSYEI-UHFFFAOYSA-N	419.529	3.622	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cl)c1-n1cccn1	784029732	GICJKHPZFUYNIF-UHFFFAOYSA-N	412.877	3.609	10	20	HHCD	
COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784062299	KCDBKHHWSSCLBZ-UHFFFAOYSA-N	409.486	3.668	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1	787855645	PAQZBGHPOPZPCV-HNNXBMFYSA-N	419.472	3.580	10	20	HHCD	
COc1c(F)cc(Br)cc1S(=O)(=O)Nc1ccc(O)cc1SC	792703344	VHHDPHUKNDSDND-UHFFFAOYSA-N	422.297	3.825	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)c(O)c1	793031103	BMJURFSONFPXEB-XIKOKIGWSA-N	423.307	3.739	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccoc3)n2)c(C)n1C[C@@H]1CCCO1	795546251	AVPOOKGXGZPUSG-AWEZNQCLSA-N	407.517	3.801	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)c(O)c1	797388910	FXFKIWCQBHHKJC-UHFFFAOYSA-N	412.486	3.615	10	20	HHCD	
Cc1cc(C(=O)NCc2ccncc2OCC(F)(F)F)c(C)n1-c1ccccn1	799062096	UZOJYNDMIIWEOP-UHFFFAOYSA-N	404.392	3.755	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@@H](CC3CCC3)c3ccccc3)ccc21	803688310	OLFWNYSZFVRIKX-QFIPXVFZSA-N	405.542	3.733	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)cc1F	806756000	AUBMHJZMEFMYFT-UHFFFAOYSA-N	420.872	3.978	10	20	HHCD	
Cc1cnc([C@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)s1	808484767	HEDINGPWKRUZNV-HNNXBMFYSA-N	401.532	3.696	10	20	HHCD	
CNS(=O)(=O)c1ccc(C)c(NCc2ccc(N(C)C)cc2C(F)(F)F)c1	809682607	VRYYAAMCYHMJKK-UHFFFAOYSA-N	401.454	3.600	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC(CS(C)(=O)=O)CC2)cc1	814178605	WNHJJAUNSPGIEH-UHFFFAOYSA-N	400.588	3.970	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C2CC2)cc1	914439646	MGERPLJQIZTDMU-UHFFFAOYSA-N	418.541	3.660	10	20	HHCD	
Cc1nn(C)c(C)c1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	914440083	SHTUIQOKOJKBBB-UVTDQMKNSA-N	420.585	3.719	10	20	HHCD	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	916681748	UIOITTHSYYSIST-HXUWFJFHSA-N	423.513	3.806	10	20	HHCD	
Cc1cccc(OCCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	917711109	KUPUGZNJTOYIFB-ROUUACIJSA-N	400.494	3.833	10	20	HHCD	
CC1(C)CCc2nc(O)c(C(=O)NCc3cccc(Br)c3O)cc2C1	1255877104	NKKLYDZJNUJSLI-UHFFFAOYSA-N	405.292	3.700	10	20	HHCD	
Cc1cc(C(=O)CSc2nnc(N)[nH]2)c(C)n1-c1cccc(Br)c1	5398748	TZSDIPFFWKYLQS-UHFFFAOYSA-N	406.309	3.532	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCCC2=O)cc1	143106524	GIKIZGJPRGHYAQ-GOSISDBHSA-N	406.530	3.974	10	20	HHCD	
Cc1ccc(O)c(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1	237940902	ALTCESPELLHBRX-UHFFFAOYSA-N	406.505	3.851	10	20	HHCD	
O=S(=O)(c1cc(F)ccc1NCc1ccc(N2CCOCC2)cc1)C(F)(F)F	301201142	WPKQTYAQPRLKFL-UHFFFAOYSA-N	418.412	3.568	10	20	HHCD	
CSCC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1nnc2ccccn12	471509294	VOMAUSSBGCPAPJ-QGZVFWFLSA-N	422.558	3.823	10	20	HHCD	
Cc1c(CNC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)n(C)c2ccccc12	472223837	ORDDGMJLIUPZQM-UHFFFAOYSA-N	424.932	3.808	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ncncc2-c2ccccc2)CC1	480854837	TZIKNVCCGTULSH-UHFFFAOYSA-N	410.477	3.966	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)ccc21	482011661	CIKIDBDSIFDITF-CALCHBBNSA-N	415.578	3.522	10	20	HHCD	
COCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1	732064744	DCORJFDQPBXZRZ-QHCPKHFHSA-N	412.530	3.599	10	20	HHCD	
O=C(NCCCCCN1CCCCC1)NCc1ccc(N2CCSCC2)cc1	732241114	BFKKNXWAXAUWFL-UHFFFAOYSA-N	404.624	3.695	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@](C)(c3ccccc3)C2)c1	733301037	WFBRWLNCMAOYGY-SANMLTNESA-N	422.569	3.981	10	20	HHCD	
CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCCCCC3)c2)c1	740848343	SKNVRECNNUSTBX-UHFFFAOYSA-N	419.522	3.757	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(NC2CC2)nc1	742801713	RYZIMEABTSEGBL-INIZCTEOSA-N	402.445	3.656	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(-c2ccncc2)on1	742805890	PGMPKERMEAAQSI-OAHLLOKOSA-N	414.412	3.737	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C	743665554	KMPLOYHYSKZOSN-ICSRJNTNSA-N	418.582	3.978	10	20	HHCD	
Cc1ccc(OCCCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1C	746514477	JKBDWXVFMHDFTO-UHFFFAOYSA-N	400.494	3.755	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cc(OC)c(OC)cc2Br)c1	756683274	HRUVHBDGURKBJW-LLVKDONJSA-N	424.291	3.809	10	20	HHCD	
CCc1c(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)cnn1CC(C)C	757159621	FWDUYVXLKVWQQY-UHFFFAOYSA-N	413.566	3.545	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cnc4nccnc4c3)c2C)c1	759804266	MEQZLZUSRXYSRA-UHFFFAOYSA-N	400.438	3.780	10	20	HHCD	
CC(C)n1cc2c(n1)[C@@H](N1C(=O)CN(Cc3cc(Cl)ccc3O)C1=O)CCC2	761300912	STHOOFHBFVEYCR-INIZCTEOSA-N	402.882	3.665	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)c1	761984067	VNICLFDYFFJDNO-NPQOUYBPSA-N	406.438	3.642	10	20	HHCD	
O=S(=O)(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cccc2nonc12	765102196	QWJIKXLXGYOKGA-UHFFFAOYSA-N	406.423	3.756	10	20	HHCD	
C[C@H](NCc1ccccc1N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl	765394595	CJLFRDKDSLKROS-SFHVURJKSA-N	415.965	3.864	10	20	HHCD	
CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(Br)c1O	765751992	CSTCOBCTCWGDGN-UHFFFAOYSA-N	416.275	3.669	10	20	HHCD	
O=C(c1cccc(Cl)c1)N1CCN(Cc2cccc(Br)c2O)CC1	768240021	YUJBCYAAHYEATQ-UHFFFAOYSA-N	409.711	3.766	10	20	HHCD	
C[C@H](NC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C)c1ccc(N(C)C)cc1	773611617	PYRJVEKQJSCRAU-ULQDDVLXSA-N	404.555	3.758	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C(F)(F)F)c1	773849482	VHNFJDCZCFJSJL-GFCCVEGCSA-N	409.408	3.596	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1	776039932	YSZCDXZUCWVNMT-NRFANRHFSA-N	421.607	3.564	10	20	HHCD	
CN(C)c1ccc([C@@H](CN[C@H]2CCCc3c2cnn3C)NC(=O)OC(C)(C)C)cc1	777302402	OVIXKXXTJMINGO-VQTJNVASSA-N	413.566	3.719	10	20	HHCD	
CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)nn3C)SC2=S)c1	779220520	DKAGJWQLWBJOKW-MDWZMJQESA-N	424.345	3.987	10	20	HHCD	
CCc1cnccc1CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	779363124	YZBULGFHNKIWOX-KRWDZBQOSA-N	404.461	3.714	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Br)c(C)c3)c2)CC1	781045859	TWLQOYPVOVKLFS-UHFFFAOYSA-N	416.319	3.678	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N(C)C)cc2)nnn1Cc1ccc(C(F)(F)F)cc1	782008667	QQGHRPVTABJTMN-UHFFFAOYSA-N	417.435	3.650	10	20	HHCD	
CC(C)[C@@H](COCc1ccccc1)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	783223452	PEQSAUSLRLFDEZ-ISKFKSNPSA-N	409.574	3.719	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1	783317495	VQIDENUSUQFLRC-UHFFFAOYSA-N	405.502	3.518	10	20	HHCD	
C[C@H](NC(=O)c1cnc(OCC2CC2)c(Cl)c1)c1ccc(N2CCOCC2)cc1	783932876	GOXHCPJHHMMZFP-HNNXBMFYSA-N	415.921	3.851	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)c1O	785549162	SMSACUVWIPIWEQ-MRXNPFEDSA-N	411.340	3.577	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cccc4ccn(C)c34)CC2)cc1	788314953	PFLHXMFKJVVVAI-UHFFFAOYSA-N	421.545	3.521	10	20	HHCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	792165388	POCWDENMKUAFNR-QGZVFWFLSA-N	418.944	3.614	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c(C)n1-c1ccccn1	793488581	OWDWSIRXRLVAHX-UHFFFAOYSA-N	418.541	3.892	10	20	HHCD	
CCOc1ccc(O)c(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c1	796430538	MBCIRGXITDSKQE-UHFFFAOYSA-N	405.501	3.660	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1F	796432180	ZJMHZZQJKQYERJ-UHFFFAOYSA-N	421.538	3.733	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCn4ccnc4C3)cc2Cl)C1	799976934	XZISZGHPCUHDCV-DOTOQJQBSA-N	401.942	3.587	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2Cl)C1	799994912	RLHYHJGBTJQMNQ-CZAAIQMYSA-N	421.969	3.666	10	20	HHCD	
CNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800720581	UXVQLWWQUWABMK-QAPCUYQASA-N	408.974	3.536	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1	801546736	XDKLWZWONWGOIZ-NRFANRHFSA-N	424.541	3.839	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1	801610178	JJARACXSEOBKKX-UHFFFAOYSA-N	417.531	3.766	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)C2CC2)cc1	802498812	QSIAEXXJZBWNIH-FQEVSTJZSA-N	421.545	3.733	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1Cc1ccccc1F	802609723	IBXQUZWSDBRCLG-UHFFFAOYSA-N	424.476	3.544	10	20	HHCD	
O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	802839265	IGNTVJPDCCFFLD-HKUYNNGSSA-N	409.404	3.652	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1	807103055	LGXNXCTZPGSNSY-UHFFFAOYSA-N	408.329	3.643	10	20	HHCD	
CCOc1ccc(C2=CCN(C(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1	807678802	ZWGNFDBRHZUWAJ-SFHVURJKSA-N	421.541	3.644	10	20	HHCD	
CCOc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])cc1OC	807839351	LWZUOAXBNODUBN-UHFFFAOYSA-N	415.229	3.945	10	20	HHCD	
COc1ccc(-c2ocnc2C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	808287701	WKZBRFBMEASVOS-UHFFFAOYSA-N	407.470	3.711	10	20	HHCD	
C[C@@H](NC(=O)C1(c2cccc(Br)c2)CC(=O)C1)c1ccc(N(C)C)cc1	811186045	AGIQXYZRJUXJBT-CQSZACIVSA-N	415.331	3.993	10	20	HHCD	
CCN(CC(=O)N1CCCN(c2ccc(OC)cc2)CC1)Cc1ccccc1Cl	857439499	AZKJDNBBFWJHRV-UHFFFAOYSA-N	415.965	3.909	10	20	HHCD	
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	857758544	KECOGYILNGIORG-WOJBJXKFSA-N	409.574	3.783	10	20	HHCD	
COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	914908179	XVWXQCVGEWEYIX-INIZCTEOSA-N	423.469	3.690	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCCN3CCCC[C@H]3C)cc2F)C[C@@H](C)O1	918187479	BYMHPWOWZCWAQH-GUDVDZBRSA-N	420.573	3.503	10	20	HHCD	
CN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918217387	BYDFUMWOHCQHQI-UHFFFAOYSA-N	409.864	3.796	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccnc2Oc2ccccc2)cc1	918434374	MWJZBGXPSOTEKV-UHFFFAOYSA-N	418.497	3.975	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccc(N2CCCS2(=O)=O)c(F)c1	1320409535	VCTNUKKPFYFREK-YOEHRIQHSA-N	404.507	3.718	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H]4CCCC[C@]43c3ccccc3)nc12	1324255527	NOCXXNGBLJXJPE-SBUREZEXSA-N	406.486	3.513	10	20	HHCD	
O=C(CC1CCCC1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788426458	KODQKZGWOMENRE-UHFFFAOYSA-N	409.486	3.821	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(CCC(N)=O)Cc3ccccc3)c2C)cc1	57844645	YJQWLXNPFLTQBA-UHFFFAOYSA-N	405.498	3.621	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccn(C)c(=O)c2)c(C)n1-c1ccc(C(C)C)cc1	108743384	BGYQQIKLSXKJAB-UHFFFAOYSA-N	406.482	3.956	10	20	HHCD	
CCCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)Cc1ccccc1O	112518140	OLGIRWPGLIALLK-UHFFFAOYSA-N	413.587	3.792	10	20	HHCD	
COc1ccc([C@@H](CNCc2ccc(N3CCOCC3)cc2)N2CCCCC2)cc1	237325851	JCRFAHURMNCZND-RUZDIDTESA-N	409.574	3.849	10	20	HHCD	
CCc1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1-c1ccccc1Cl	437006252	HKNVRMGKAYQMFK-UHFFFAOYSA-N	411.893	3.588	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cccc3nsnc23)ccc1NC(=O)c1ccco1	516547204	VOXYKRWNMILMIN-UHFFFAOYSA-N	414.468	3.646	10	20	HHCD	
C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NCc1ccc(N(C)C)cc1	726189102	QJRWMIRQPSTKCW-GOSISDBHSA-N	423.561	3.569	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1	726288158	BSGSBUXOXXFNSA-UHFFFAOYSA-N	415.493	3.581	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(C)nc4c3cnn4C(C)C)CC2)cc1	726561196	CWPOHYYKALDORO-UHFFFAOYSA-N	407.518	3.728	10	20	HHCD	
CC(=O)NC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	726836866	RKYOUXQULSKFNK-UHFFFAOYSA-N	424.419	3.754	10	20	HHCD	
CCCC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	727303879	XONVGJHDQITGKB-HXUWFJFHSA-N	415.559	3.576	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)cc1	729541378	VOBXYSFKMUXHAX-GOSISDBHSA-N	400.425	3.542	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccccc1I	733879825	ZXSFIABEQBJIKL-UHFFFAOYSA-N	404.298	3.660	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCCSc2nccs2)c(Br)c1	733900370	YCDDAGGBPUHQFC-UHFFFAOYSA-N	407.380	3.675	10	20	HHCD	
O=C(c1csc(Nc2ccccn2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	736673022	DEIHGTYRVWGHKW-INIZCTEOSA-N	410.499	3.809	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@@H](CC)c3ccc(C)cc3)nc12	738690681	OYBOQOAMYGMTOK-OAHLLOKOSA-N	411.458	3.547	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1	742526442	ANVMIWXMPNXFIF-UHFFFAOYSA-N	422.485	3.919	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cs1	743046304	VABBSQCESLKRKF-UHFFFAOYSA-N	420.537	3.948	10	20	HHCD	
CCc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nnn1-c1cccc(Cl)c1	743719414	YDDFKABWBMJPAN-UHFFFAOYSA-N	410.905	3.998	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)c1O	743916312	ZAPZMFAWIXVCEJ-UHFFFAOYSA-N	413.499	3.563	10	20	HHCD	
Cc1cccc2c(CCNC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c[nH]c12	745651894	GPQWOVHLKOJUNB-UHFFFAOYSA-N	420.557	3.727	10	20	HHCD	
CCc1ccc([C@@H](COC)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1	745846992	KAIABTNAOCPNIT-RTBURBONSA-N	402.491	3.626	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3ccccc3O)cc2F)C[C@H](C)O1	747808621	INHBSGOKKLVNLQ-GJZGRUSLSA-N	404.507	3.553	10	20	HHCD	
Cc1cccc(CCNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1	749144896	BTRUFPBKFUHFJH-UHFFFAOYSA-N	414.417	3.651	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)OC)c(C)o3)n2)cc1	751127583	PBPBGEPMFMOBHV-UHFFFAOYSA-N	422.484	3.698	10	20	HHCD	
Cc1cc(C(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(C)n1-c1ccccn1	751186374	GNOGEBANYSZESF-OAQYLSRUSA-N	417.509	3.737	10	20	HHCD	
CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C(C)C	753468169	KJIYHDLBWPQUMY-UHFFFAOYSA-N	401.482	3.555	10	20	HHCD	
O[C@@H](COC1CCOCC1)CSc1ncc(-c2ccccc2)n1Cc1ccco1	755737989	JPVSAOQWUZZEKZ-SFHVURJKSA-N	414.527	3.840	10	20	HHCD	
C[C@H](NCc1ccccc1N1CCOCC1)c1cc(Br)cc(F)c1O	756482717	KFHPOIAFTSATEP-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
COC(=O)COc1cccc(CN[C@@H](C)c2cc(Br)c(F)cc2O)c1	756711429	JXUTZJSCBBXAGM-NSHDSACASA-N	412.255	3.696	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1	758778918	NFFHXQHOERVJQE-PKOBYXMFSA-N	418.582	3.896	10	20	HHCD	
COc1ccccc1NC(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1	761610520	GYJZHMUMYOLDAM-UHFFFAOYSA-N	421.453	3.723	10	20	HHCD	
C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1	765669483	MDVWMIWESKRTNN-MRXNPFEDSA-N	417.347	3.781	10	20	HHCD	
CN1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC[C@@H]21	766581952	HBYBBKHWDVTUNV-UWJYYQICSA-N	405.502	3.983	10	20	HHCD	
Cc1cc(N2CCN(Cc3cccc(Br)c3O)CC2)nc(C(C)C)n1	768216983	BYSCXVCDFXMIJD-UHFFFAOYSA-N	405.340	3.699	10	20	HHCD	
C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(N(C)C)cc4)CC3)cc2NC1=O	769310404	HVLXZQXLCBWWPL-MRXNPFEDSA-N	407.514	3.567	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H](O)Cc2ccccc2Cl)cc1	772612531	RCAYEJGDNUBTSK-IFMALSPDSA-N	416.949	3.517	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H]3CC(=O)c3cnn(C)c3)c2C)cc1	772778709	RCNYQNZBRHDTSG-FQEVSTJZSA-N	420.513	3.714	10	20	HHCD	
C[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N(C)C)cc1	772953734	LSYVZSRVGVYPPR-GOSISDBHSA-N	401.576	3.504	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(N(C)C)cc1	773613306	PSPCWCATELBBSR-AUUYWEPGSA-N	400.910	3.572	10	20	HHCD	
C[C@@H](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CCN(C(=O)OC(C)(C)C)CC1	773741437	ZCRSVEUZSXTNQP-JKSUJKDBSA-N	420.550	3.818	10	20	HHCD	
COC(=O)Nc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(C(F)(F)F)c1	773755811	FURNKCHZJGSMBO-SNVBAGLBSA-N	412.364	3.656	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)c1ccc(N(C)C)cc1	773845379	IBGKHSRHQXTAJX-LLVKDONJSA-N	424.726	3.984	10	20	HHCD	
C[C@@H](NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	775404215	MAZYKGJDNARXHT-MPGAHLTBSA-N	414.509	3.796	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3COC4(CCCCC4)O3)ccc21	775802850	ZDZAPAIIGOMRRU-IBGZPJMESA-N	400.519	3.710	10	20	HHCD	
Oc1c(Cl)cc(Cl)cc1CN1CCN(c2nnc(C(F)(F)F)s2)CC1	777220955	WSPHPBTVUHNZFN-UHFFFAOYSA-N	413.252	3.892	10	20	HHCD	
Cc1cc(C)cc(-n2nc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2C)c1	777367887	XGSYJPZXZXHKFP-UHFFFAOYSA-N	404.514	3.564	10	20	HHCD	
COc1ccc(C[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	781149190	LKKNPYZYWMBVFK-ROUUACIJSA-N	412.530	3.596	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1	782728422	QRIHHASJHGYQKF-QFIPXVFZSA-N	423.561	3.947	10	20	HHCD	
C[C@H]1C[C@@H](CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1	784511135	NDLKZNACLUNFER-HOTGVXAUSA-N	411.493	3.761	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c(OC)c1	785549758	XDCVFBRHACKEAA-UHFFFAOYSA-N	422.484	3.616	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1c(OC)ccc2ccccc12	787021376	YXHHXHJPMXIAHL-UHFFFAOYSA-N	419.525	3.579	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)c(O)c1	792810992	DFZNNPXXXQNWEB-QZTJIDSGSA-N	411.546	3.878	10	20	HHCD	
COc1ccc(CNC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1	794388395	RSEXSUNSTREONR-OAHLLOKOSA-N	406.523	3.690	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(OCC(F)(F)F)cc1	796112536	YLTAYXRGSSMXJE-UHFFFAOYSA-N	423.479	3.784	10	20	HHCD	
COc1coc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1=O	798674238	GWKUJPNVOKPCTB-UHFFFAOYSA-N	407.382	3.859	10	20	HHCD	
Cc1cc(Cl)nc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	799887179	PTEUGXWVSSPXGL-HUUCEWRRSA-N	420.916	3.796	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)nc3)cc2Cl)C1	800636168	HBTMWYUNEBLHGY-ZDUSSCGKSA-N	421.328	3.880	10	20	HHCD	
COC(=O)CN(Cc1ccc(-c2cnn(C)c2)s1)Cc1cc(Cl)ccc1O	802640647	JJTRSOVXNSGLMC-UHFFFAOYSA-N	405.907	3.683	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)n2)c(C)o1	806839150	AYOXMGQMFZGIAT-UHFFFAOYSA-N	424.526	3.875	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1csc(-c2ccccc2)n1	806840758	SICDOXHDQJBMKK-UHFFFAOYSA-N	406.511	3.665	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(OC(F)F)c(F)c1	807512927	OCVIMRSLWNOMKR-UHFFFAOYSA-N	423.174	3.694	10	20	HHCD	
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807676006	BVLBDKZVKPBHSW-HTAPYJJXSA-N	413.537	3.795	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1	809367527	MAINITQBEOVLAW-LJQANCHMSA-N	423.557	3.999	10	20	HHCD	
C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1cc(Br)cc(Br)c1O	809703574	NHAGGJSSCBORSK-BXUZGUMPSA-N	418.173	3.976	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C	809986170	BECBABXNCMAQSE-UHFFFAOYSA-N	402.848	3.978	10	20	HHCD	
COc1ccc(C[C@](C)(O)CNCc2cc(C)cc(Br)c2O)cc1OC	810173307	CKKPJXLZHJAAJH-FQEVSTJZSA-N	424.335	3.564	10	20	HHCD	
COC[C@@]1(CN[C@H](C)c2ccc(Br)cc2O)OCCc2ccccc21	810241735	DIQYAJKNVVRAOW-JLTOFOAXSA-N	406.320	3.920	10	20	HHCD	
COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccccc1O	812095299	BBHPLWGFBDAHIP-OAHLLOKOSA-N	400.454	3.546	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ncc(C(F)(F)F)s1	812993343	MCTISSLHZIAXCL-UHFFFAOYSA-N	401.410	3.635	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(CC)[C@@H](C)CO)sc(C)c1-c1ccccc1	815184099	NHXLCEAVCSKEOX-AWEZNQCLSA-N	404.532	3.541	10	20	HHCD	
CC(C)n1cnnc1SCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	914492021	ZIZMJMMWIJMGGB-UHFFFAOYSA-N	413.547	3.839	10	20	HHCD	
COc1ccc2nc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)sc2c1	915300359	FUQMRWAIIGXPKC-UHFFFAOYSA-N	412.515	3.805	10	20	HHCD	
O=C(NCCCOC[C@H]1CCCO1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915743119	HZOCQDJKPSGYRC-HXUWFJFHSA-N	410.474	3.742	10	20	HHCD	
COC(=O)c1c(NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)sc(C)c1C	917417550	LQVIKNSXPRRJHD-UHFFFAOYSA-N	415.559	3.821	10	20	HHCD	
COc1cc2nc(CN(Cc3ccc(N(C)C)cc3)C(C)C)nc(O)c2cc1OC	917418021	VJZASUIZRXSQHD-UHFFFAOYSA-N	410.518	3.829	10	20	HHCD	
CCC(CC)[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCOCC1	918065907	YYLBMWDMGXMURX-HSZRJFAPSA-N	416.610	3.564	10	20	HHCD	
CC(C)C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	918118271	XSRSFEUFZXHYFJ-FYYLOGMGSA-N	422.573	3.975	10	20	HHCD	
Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	918438248	IBSHKMAWIJQVOS-INIZCTEOSA-N	417.473	3.575	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCN(Cc3cscn3)CC2)c(C)n1-c1ccccc1	919902596	SKFSNSXVOYRYSL-UHFFFAOYSA-N	423.586	3.621	10	20	HHCD	
Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(OCC(=O)N(C)C)c1	919914664	TZGTVQRCHUGRGR-UHFFFAOYSA-N	424.545	3.725	10	20	HHCD	
Fc1cc(CN[C@H]2CCc3ccccc3C2)ccc1N1CCN(c2ncccn2)CC1	920180632	RKEYJWISGAIUOQ-QFIPXVFZSA-N	417.532	3.589	10	20	HHCD	
C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(N2CCOCC2)cc1	920890112	JPJNQNARMRSYFL-SFHVURJKSA-N	406.526	3.852	10	20	HHCD	
Cc1ccc(CCS(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	1256594101	CSXWJWXDEFZMPJ-UHFFFAOYSA-N	424.513	3.727	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3cn(C)nc3C)c2C)cc1	1343970595	QVPKKICDVNHAMT-UHFFFAOYSA-N	423.513	3.893	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Cn3ccnc3[C@@H](O)c3cccnc3)c2C)c1	1347320381	PNBFTWVANFLZPM-QHCPKHFHSA-N	400.482	3.959	10	20	HHCD	
C[C@@]1(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)CC=CCC1	1788429340	ILZOORLFLKDBAR-HSZRJFAPSA-N	421.497	3.987	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	97576231	KPCWBAXITCJJEK-FYYLOGMGSA-N	420.509	3.864	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)c2c(c1)OCCO2	303037609	RJFOJOKTBSBKSA-UHFFFAOYSA-N	419.319	3.949	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cccc(Br)c2)n(C)c2ccccc12	472807938	IYFHUWKTNKWXSK-UHFFFAOYSA-N	400.276	3.504	10	20	HHCD	
COc1ccc(N(CC(=O)NCc2ccccc2Cn2cccn2)C(C)C)cc1F	725815773	ACLKZCXFWJOKAD-UHFFFAOYSA-N	410.493	3.610	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1	726560864	SZTGTWNVRGBSGW-UHFFFAOYSA-N	404.514	3.897	10	20	HHCD	
COc1cccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726609380	VTMFKAXBOHODLJ-UHFFFAOYSA-N	405.445	3.765	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H]2CCCCNC2=O)c(C)n1-c1ccc(Br)cc1	728702795	NPRNFJYECOGLCF-SFHVURJKSA-N	418.335	3.597	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC(n2ccnc2)CC1	728751956	XQNGRVBCPFLIBB-UHFFFAOYSA-N	419.476	3.500	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1F	731346608	YOYCGMNMSPUHCU-IBGZPJMESA-N	405.539	3.804	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)cc1F	731364832	OXBPWAHJGFCPKZ-UHFFFAOYSA-N	424.524	3.869	10	20	HHCD	
CCc1ccc([C@H]2COCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1	736380975	SUVINLJQYMIFOQ-DYESRHJHSA-N	413.518	3.523	10	20	HHCD	
CC(C)[C@H](CNC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1	738300636	ZQHOXIVZJMSTDN-DEOSSOPVSA-N	409.574	3.511	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3Cn3cccn3)cc2F)C[C@@H](C)O1	741140707	VSVBNKNUOVVUEI-QZTJIDSGSA-N	422.504	3.614	10	20	HHCD	
Cc1cc(C(=O)CN2CCc3nn(C)c(=O)cc3C2)c(C)n1-c1ccc(C(C)C)cc1	742428742	MASMRXORPZKBEE-UHFFFAOYSA-N	418.541	3.552	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(C(C)C)c3)n2)cc1[N+](=O)[O-]	743045817	AHAROWKRDZZEAF-UHFFFAOYSA-N	407.477	3.605	10	20	HHCD	
COc1cc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(OC)c1OC	743768043	ZRXLANLBKOFGJR-UHFFFAOYSA-N	415.490	3.901	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2CC(F)(F)F)cc1	743891207	MWTVZACVQWVCTE-UHFFFAOYSA-N	407.436	3.893	10	20	HHCD	
COc1cccc(CNC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1O	745766547	AOCPZYFTEYXVHR-UHFFFAOYSA-N	404.894	3.602	10	20	HHCD	
COCCN(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCCC1	749579561	JLRNYJUMWPWBKK-MRXNPFEDSA-N	411.493	3.857	10	20	HHCD	
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCCCSc1nccs1	749730711	SOUAGLDNGPCJIZ-UHFFFAOYSA-N	412.540	3.751	10	20	HHCD	
COCCCOc1cccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	751012172	VNCPESNRMZXPQM-UHFFFAOYSA-N	413.518	3.855	10	20	HHCD	
Cc1cc(CCNC(=O)c2ccccc2N2CCOCC2)c(C)n1-c1ccccc1	751304559	AIPAPXALRXECSD-UHFFFAOYSA-N	403.526	3.903	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccnc3SC(F)(F)F)CC2)cc1F	753741959	KVSKLGQKUUXEHD-UHFFFAOYSA-N	415.412	3.804	10	20	HHCD	
O=C(CCSc1ccccn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	755294966	ZDITWSULYNFWMY-UHFFFAOYSA-N	407.486	3.950	10	20	HHCD	
Cn1cc(-c2nc3ccccn3c2NC(=O)NCc2c(O)ccc3c2CCCC3)cn1	757251840	PXUUYFBNWDAAIH-UHFFFAOYSA-N	416.485	3.641	10	20	HHCD	
C[C@H](NC[C@@H](CO)Cc1ccccc1Br)c1cc([N+](=O)[O-])ccc1O	760034127	LAQMFAXJOVMPRT-STQMWFEESA-N	409.280	3.565	10	20	HHCD	
O=C1NC2(CCCCCC2)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761636125	OLQBFLUKIAMJDF-INIZCTEOSA-N	407.461	3.902	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1ccccc1OCC(=O)Nc1ccccc1F	761745533	JZAICDHLXQCKTA-UHFFFAOYSA-N	408.429	3.821	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CC(C)(C)OC2=O)c(C)n1-c1ccccc1Br	762039684	CBBIAQLXZRYYPT-OAHLLOKOSA-N	405.292	3.681	10	20	HHCD	
COC(=O)CCC(C)(C)NCc1cc(Br)cc(Br)c1O	762783899	AGWAKNHWBOGUST-UHFFFAOYSA-N	409.118	3.739	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cc(F)c(Cl)cc3F)CC2)cc1	763428926	FIHWEDGSZWXENF-UHFFFAOYSA-N	423.891	3.569	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(Cl)cc3C)CC2)cc1	764611146	XVMBSFYBFZYRSE-UHFFFAOYSA-N	401.938	3.599	10	20	HHCD	
COc1ccccc1[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nccn1C	764813075	BTVIIWQUQWOWSN-GAJHUEQPSA-N	424.520	3.845	10	20	HHCD	
COC(=O)[C@H](CC(F)(F)F)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	765327326	UUCWLAZRIHPAHZ-INIZCTEOSA-N	416.827	3.900	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H](c1ccccc1)N1CCSCC1	765764033	FYWXLNRAYZEGAH-KRWDZBQOSA-N	421.360	3.561	10	20	HHCD	
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1	768876624	FEFKWLMLJFENOA-UHFFFAOYSA-N	423.494	3.987	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(Sc2ccccc2Cl)nn1	768900632	KYJKBHAUXGCPTK-UHFFFAOYSA-N	401.875	3.665	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1F	768914963	HFKLNYUURCUZRH-QGZVFWFLSA-N	419.884	3.538	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	770512904	UFBQCYIQOQSSGP-UHFFFAOYSA-N	404.492	3.569	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1	775373087	MGUAALLAZAPSGV-MRXNPFEDSA-N	419.481	3.942	10	20	HHCD	
Cc1cc2c(N3CCC[C@@H]3C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ncnc2s1	775403481	JPXPAWNKJDTSSR-DNVCBOLYSA-N	409.559	3.912	10	20	HHCD	
CC[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1O	775488074	GQBQVGCZMVRXJC-IAQYHMDHSA-N	414.285	3.908	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](n3cncn3)C2)c(C)n1-c1cccc(C(F)(F)F)c1	776878317	XAANDXUOFSDLTA-GOSISDBHSA-N	417.435	3.834	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)cc(Br)c2)cc1	777128245	MTMHRDCMHQAYMA-UHFFFAOYSA-N	418.335	3.859	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2cccc(Br)c2)CCOCC1	779507295	YRCXOIPQTAFKBG-ALCCZGGFSA-N	418.287	3.696	10	20	HHCD	
Cc1cc2c(cc1NC(=O)NCc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)OCO2	781470015	GFHALXFFFULYQJ-GASCZTMLSA-N	415.465	3.798	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1	783315100	UAIYOBFQUTVNJV-UHFFFAOYSA-N	405.502	3.518	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCS2)NC(=O)OC(C)(C)C)cc1	783581332	XLYSQRRDHJLFNY-QZTJIDSGSA-N	407.580	3.720	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Cc3cc(Cl)ccc3Cl)cc2)CC1	786257481	PSRDNRUPUBSFPS-UHFFFAOYSA-N	420.340	3.521	10	20	HHCD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	788520604	IELLXJMXJWSCGG-SVFBPWRDSA-N	411.498	3.721	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3ccc(CN(C)C)cc3)sc2C)cc1	789727290	KNUJCHAFHPBSFQ-UHFFFAOYSA-N	417.556	3.990	10	20	HHCD	
Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(OC[C@@H]2CCCO2)c1	789837385	TZECCPVNCZOJJJ-WBVHZDCISA-N	400.475	3.717	10	20	HHCD	
O=C(c1cccc(O)c1O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1	790704788	JYUZPJRAGRAMTE-UHFFFAOYSA-N	422.456	3.778	10	20	HHCD	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NCc1ccc(N2CCCC2)cc1	792028997	UIHZFLMJZSZAGA-QGZVFWFLSA-N	404.555	3.732	10	20	HHCD	
CCNc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	792247743	MQEAWNKYVMWAGN-UHFFFAOYSA-N	401.938	3.911	10	20	HHCD	
CC[C@H]1c2ccsc2CCN1C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	793572037	VNLRTUCZTMPMNA-NRFANRHFSA-N	413.587	3.553	10	20	HHCD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	795856757	OBSOEYLJNGXOND-WZONZLPQSA-N	410.514	3.540	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)Cc3cnn(C)c3C)c2C)c1	795859759	NVEZPIRXMXEJPP-UHFFFAOYSA-N	411.527	3.827	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(C)=C(Br)C3)CC2)cc1	797444720	HYPONUFDNIXREL-UHFFFAOYSA-N	408.340	3.748	10	20	HHCD	
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	797619806	XXEYOGBVVLTKPQ-OAHLLOKOSA-N	411.502	3.831	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	798335898	VRTKZXLOSAHMRW-SFHVURJKSA-N	414.458	3.586	10	20	HHCD	
CCOC(=O)C(C)(C)C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	798369052	YPILUFGTGWPVDN-QGZVFWFLSA-N	416.543	3.980	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@H]3CCC[C@@H](c4ncccc4C)C3)CC2)cc1	798927414	SEMUOKFWVMBAIW-YADHBBJMSA-N	408.590	3.837	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1	799526259	CWLHUYFVLFMKJJ-GOSISDBHSA-N	404.555	3.589	10	20	HHCD	
CCOc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1O	800540634	LIKFTXAMPYADMJ-IBGZPJMESA-N	413.518	3.980	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(-c3cnn(C)c3)s2)SC1=S	800793393	QILACQDIHBKKMH-LZYBPNLTSA-N	420.629	3.938	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1cccc(CN2CCOCC2)c1	802007313	FHOSNQBNAASWOZ-UHFFFAOYSA-N	411.546	3.736	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(CCN2CCCC2)c1	802610711	MQWCMMXUCPLJIJ-UHFFFAOYSA-N	423.557	3.798	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)c1OC	804275393	QUWRRLOMAYRACL-GASCZTMLSA-N	416.493	3.695	10	20	HHCD	
CN(C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1cccc(F)c1	806308391	SMLXOFUIXRLPML-MRXNPFEDSA-N	400.281	3.940	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)c1ccc(N(C)C)cc1	807672987	LCFRTMYJJXQAMN-AWEZNQCLSA-N	422.356	3.986	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NOC3CCCCC3)cc2Cl)C1	807952889	QYWUJZLGKIRXNV-HNNXBMFYSA-N	407.942	3.573	10	20	HHCD	
CN(C)S(=O)(=O)c1ccc(NNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1	812261381	MHOHFBBLXQEDEC-UHFFFAOYSA-N	419.359	3.557	10	20	HHCD	
COCCOCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	812916124	RJZFKMIWFFPEOB-UHFFFAOYSA-N	415.445	3.877	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	914613442	QOYQWMAOYCISQI-KRWDZBQOSA-N	407.470	3.990	10	20	HHCD	
O=C(CSc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	917364626	KTDSICRZCSBURU-KRWDZBQOSA-N	402.472	3.600	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1	917512777	FMJFFJIRDCBBDG-UHFFFAOYSA-N	413.465	3.686	10	20	HHCD	
CSc1nnnn1-c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	918035277	HCGMSJTZYOVVDX-UHFFFAOYSA-N	423.546	3.647	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CCN(Cc2ccncc2)CC1	918228182	ZIOCIPZHMNBWSM-UHFFFAOYSA-N	421.589	3.878	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)Oc3ccccc3)cc2F)C[C@@H](C)O1	1318798010	UUFPSPKREXSUEF-IAGOWNOFSA-N	400.494	3.913	10	20	HHCD	
COc1cccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1Br	1320332646	PIJMOQGDNPVSMH-UHFFFAOYSA-N	408.315	3.961	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccnc(OC3CCC3)c2)cc1	1323155234	TVAYIHKOQFWKTD-JOCHJYFZSA-N	409.530	3.900	10	20	HHCD	
Cc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1787278121	KQYFVHBNGQQSPI-UHFFFAOYSA-N	423.494	3.924	10	20	HHCD	
Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	7370695	YPLCHHOMGHFHKD-INIZCTEOSA-N	412.465	3.768	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)CC2)cc1	57548051	KMYNZQFVWHVRIU-HNNXBMFYSA-N	403.910	3.506	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCNC(=O)C(C)(C)C)cc1	97076090	QHEPHVKCBFIWOY-UHFFFAOYSA-N	411.546	3.847	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccccn1	97285756	AJIULSFHKHHETG-UHFFFAOYSA-N	418.541	3.657	10	20	HHCD	
C[C@H]1c2cccn2CCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	195649102	BBSRKDMYVXGYCL-HNNXBMFYSA-N	422.451	3.630	10	20	HHCD	
O=C1NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	211368597	RAFHMCYWHCMIDR-MHWRWJLKSA-N	408.464	3.936	10	20	HHCD	
CC(C)c1nnc(CNC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)s1	435814081	PTEULHHIUFMOKP-UHFFFAOYSA-N	411.575	3.699	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	437020834	QXPJZICUHXMSAX-UHFFFAOYSA-N	409.467	3.644	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](C)c2ccc3ncsc3c2)n(C)c2ccccc12	512087451	GIZKXLLQZPVTJU-CQSZACIVSA-N	406.511	3.590	10	20	HHCD	
O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1c[nH]nc1-c1c(F)cccc1F)CC3	531760574	HOTXZWGNKLSZAQ-FLIBITNWSA-N	420.375	3.707	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726608843	FCYJSRNUVXMERU-UHFFFAOYSA-N	419.428	3.850	10	20	HHCD	
Cc1cc(C(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)c(C)n1-c1ccccn1	727410135	LDRGCEYJSDCLLK-UHFFFAOYSA-N	416.525	3.866	10	20	HHCD	
CC(C)[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	728466913	CGNNXQUANYULFI-FYYLOGMGSA-N	407.558	3.834	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	728469331	PVRMWPKIBDGLQW-GASCZTMLSA-N	415.465	3.548	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)o1	730932229	FSTXOIGYSHYPJO-UHFFFAOYSA-N	406.485	3.916	10	20	HHCD	
CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	732275129	YPPVRRPATXMXEY-OAQYLSRUSA-N	402.535	3.974	10	20	HHCD	
COCCN(C(C)=O)c1nc(CN(Cc2ccccc2O)C2CCCC2)cs1	733795909	VMIDSPYZKCTQRC-UHFFFAOYSA-N	403.548	3.793	10	20	HHCD	
CCOCCCN1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@@H](C)C1	734682926	DXDFRPFAIUZKKE-CVDCTZTESA-N	416.610	3.564	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc(OC)c1OC(F)F	742535889	CLQOPHMLBJBAPB-UHFFFAOYSA-N	406.429	3.835	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(F)c(C)c3)n2)o1	743046069	NMOLOCOLIVAHMF-UHFFFAOYSA-N	423.491	3.596	10	20	HHCD	
CC(C)(C)OC(=O)N(CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CC1CC1	743339189	OGIKDPARCBYZLR-IBGZPJMESA-N	418.534	3.547	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(SC(F)F)cc1	743958045	ISFKDEXRKLILLD-UHFFFAOYSA-N	406.454	3.841	10	20	HHCD	
COc1ncc(C)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	746736086	JAQHAGAYAANYTF-UHFFFAOYSA-N	424.423	3.576	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C	747756042	SQAMKARLKCEOIV-UHFFFAOYSA-N	411.546	3.939	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCc4nnc(C)n4C3)c2C)c1	750680457	UJNNOBMFPVBOTC-IBGZPJMESA-N	420.513	3.599	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(Br)c(O)c1	750810039	PYQKDDLIXYJTBD-UHFFFAOYSA-N	407.333	3.638	10	20	HHCD	
CN(CCc1cccs1)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751069105	AAPQMRNLZNKXRW-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
Cc1ccc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1	754051303	JYGCYZNJWOIMQA-LJQANCHMSA-N	401.507	3.579	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3ccc(OC(F)F)c(F)c3)SC2=S)CC1	754681090	WJBQOQKYARUQJQ-NTEUORMPSA-N	402.463	3.723	10	20	HHCD	
COc1ccc(C(=O)N2CCC(N[C@H](C)c3cc(F)cc(F)c3O)CC2)cc1OC	756732148	GUKXRXPFNWJCTN-CYBMUJFWSA-N	420.456	3.643	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc3c(c2)CCCN3C)c(OC[C@@H]2CCCO2)c1	757668729	XSGVIPWCGPKRFY-QFIPXVFZSA-N	423.557	3.935	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(-c2ccco2)on1	761982028	QAKQBKGSBJPXAI-HNNXBMFYSA-N	401.850	3.688	10	20	HHCD	
COc1cccc([C@@H](CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)N(C)C)c1	764460022	AZFXPDQYMGIUIF-UZUQRXQVSA-N	401.526	3.624	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1	765230039	NWJGYKKJUXBWKA-XXBNENTESA-N	424.614	3.560	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1	765402593	KRLBFQNLCLMYTH-IBGZPJMESA-N	401.576	3.614	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	769314948	RTLXPENOAFXGQL-GOSISDBHSA-N	403.567	3.648	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(-c2ccc3c(c2)CCO3)no1	771293010	ROHSWWHPZXTUSG-UHFFFAOYSA-N	421.522	3.760	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(CCOCc2ccccc2)CC1	771372745	RJGJZFFRPSRLOT-UHFFFAOYSA-N	422.569	3.899	10	20	HHCD	
CCCOc1ccc2c(c1)CCN(C(=O)NCc1ccc(N3CCOCC3)cc1)C2	771960689	UQEWCBQAWZNZOI-UHFFFAOYSA-N	409.530	3.580	10	20	HHCD	
CCNC(=O)COc1ccc(CN[C@H](CC)c2cc(Cl)ccc2O)cc1OC	775486737	FCPAENYEKMSDMV-QGZVFWFLSA-N	406.910	3.810	10	20	HHCD	
CCS(=O)(=O)c1c(Cl)cccc1CN1CCCN(c2ccc(OC)cc2)CC1	775908943	DKFWHVIFYKJEDQ-UHFFFAOYSA-N	422.978	3.855	10	20	HHCD	
NS(=O)(=O)c1ccc(CCN[C@H](CCc2ccccc2)c2ccccc2O)cc1	776264337	HNQZLVGZIIXLTG-JOCHJYFZSA-N	410.539	3.546	10	20	HHCD	
CCSc1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1	777469649	IJIVNHYDWCOPBN-INIZCTEOSA-N	400.548	3.591	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(Oc2cccc(Cl)c2Cl)nn1	778924142	AJPHUEYEYOVMDI-UHFFFAOYSA-N	406.225	3.917	10	20	HHCD	
Cc1cccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1F	781711644	ZZTBHTWIKYBQNF-UHFFFAOYSA-N	414.449	3.683	10	20	HHCD	
Oc1ccccc1CN(Cc1noc(-c2ccc(F)cc2F)n1)C[C@@H]1CCCO1	781897236	PVDUEWDAFNIWEJ-INIZCTEOSA-N	401.413	3.902	10	20	HHCD	
COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCS2	786578925	LAQQZIVVMZJFIF-UTKZUKDTSA-N	411.571	3.724	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3nc(Br)ccc3C)CC2)cc1	786618959	VLPMZEWOZFMXEB-UHFFFAOYSA-N	404.308	3.514	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3ccccc3OC(F)F)CC2)cc1	788114678	RXKAHKSPTQXPSG-UHFFFAOYSA-N	419.472	3.761	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SC[C@H]1CCS(=O)(=O)C1	788493392	KTHVECWWEDWKNM-GFCCVEGCSA-N	415.378	3.859	10	20	HHCD	
CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1Cl	788909977	JIDRYUDUARFUEP-UHFFFAOYSA-N	413.949	3.650	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(C)(C)c1ccccc1	788912570	VBQRTKFAYWNQLK-QFIPXVFZSA-N	407.558	3.776	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cc1	788956023	ZNVGZWSUGJZJQG-IBGZPJMESA-N	422.573	3.627	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cn1	790108883	XBYDBBQNHWEEGR-ADJHHVKFSA-N	403.573	3.554	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc4c3OCC[C@@H]4OC)CC2)cc1F	790575100	DWQBVIKPIFULBV-IBGZPJMESA-N	415.465	3.658	10	20	HHCD	
O=C(NCC1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1)C(F)(F)F	798956212	MNNISAKUHKOGRS-UHFFFAOYSA-N	422.447	3.862	10	20	HHCD	
CCn1ncc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C(F)(F)F	799237924	PNNFGDAXRFPIDB-CQSZACIVSA-N	412.412	3.841	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)nc1-c1ccc(F)cc1	799636272	JRXFRXGWMISUAB-UHFFFAOYSA-N	419.503	3.760	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(CS(C)(=O)=O)o3)cc2Cl)C1	800050376	UVGBKPLHYKPWHR-AWEZNQCLSA-N	424.950	3.644	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(CCNC(C)=O)Cc2ccsc2)cc1F	801016328	VPROJLQWSGSXAY-UHFFFAOYSA-N	420.554	3.581	10	20	HHCD	
Cc1nccn1-c1ncccc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O	804973651	NVSKRRDRTZMNHF-UHFFFAOYSA-N	406.273	3.588	10	20	HHCD	
CC[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(Cl)c1O	806166700	ZZKAHHITGKZSNP-OAHLLOKOSA-N	421.321	3.857	10	20	HHCD	
C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(S(C)(=O)=O)cc1	807835950	NOBRPJRQCQVKFU-SNVBAGLBSA-N	402.299	3.522	10	20	HHCD	
CCc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1S(N)(=O)=O	808442847	LPJLXNAEGQZSJS-UHFFFAOYSA-N	401.454	3.593	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc2c1OCC(=O)N2	810256540	BNMYWCACMVNYRD-UHFFFAOYSA-N	420.263	3.540	10	20	HHCD	
CCOC(=O)Nc1scnc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	813389810	WEJNPIKKOCXSMB-UHFFFAOYSA-N	402.520	3.974	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1	818666687	FXYUWQUUPNBXRF-UHFFFAOYSA-N	404.532	3.515	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1C	915220222	KQIJYANPWGHKRC-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc(Cl)c1O	915850059	SBPFMABNFDEHMX-XYOKQWHBSA-N	401.893	3.510	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cn4cccn4)cc3)cc2F)C[C@@H](C)O1	917715875	YBGIGKFFVLMVDI-HDICACEKSA-N	422.504	3.614	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2sccc2Br)cc1	917926545	GXLKTDGNGPZCGI-UHFFFAOYSA-N	415.378	3.930	10	20	HHCD	
O=C(Nc1cc(Cl)ccc1F)C(=O)N(Cc1ccco1)Cc1ccccc1O	918294652	QZOHGQPRALMEFW-UHFFFAOYSA-N	402.809	3.945	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)cc1	918303309	BWEDYDMTYCXZSH-UHFFFAOYSA-N	404.308	3.502	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cc(C(C)(C)C)nn3C)cc2F)C[C@H](C)O1	1115856500	WYRPMDSBFQPUTN-GJZGRUSLSA-N	417.529	3.792	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1F	1115959539	UBMOWYOQFYHZRM-OAQYLSRUSA-N	410.493	3.549	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc(OCC(F)(F)C(F)F)nc1	1323708644	ZYNLUDAYNCZBQV-UHFFFAOYSA-N	404.707	3.803	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@H]4CCCC[C@@H]4C3)cc2F)CC1	1326865749	IJYDOFMUQYSQIV-WOJBJXKFSA-N	402.558	3.689	10	20	HHCD	
O=C1NC2(CCCC2)C(=O)N1c1cccc(CNCc2ccc(N3CCCC3)cc2)c1	1347373622	VDRLXVWKLRFWKU-UHFFFAOYSA-N	418.541	3.946	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3ccc(F)cc3F)sc2n1	14152213	YPIVGNBFOBXOPQ-SNVBAGLBSA-N	405.426	3.958	10	20	HHCD	
CCCCN(C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@H]1CCS(=O)(=O)C1	59937160	GFPQOLZYGFNHNT-IBGZPJMESA-N	406.523	3.663	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ccn(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1	140995344	KDKZEOPXWAGHAD-LJQANCHMSA-N	419.529	3.612	10	20	HHCD	
COc1ccc(C(=O)N[C@H](C(=O)NCc2c(C)c3ccccc3n2C)C(C)C)cc1	471232162	SPSJNZDONSCLRH-QFIPXVFZSA-N	407.514	3.566	10	20	HHCD	
Cc1c(CNC(=O)N[C@H](c2ccc(F)cc2)c2ccn(C)n2)n(C)c2ccccc12	472134608	MPYKKUBFDOXVKF-JOCHJYFZSA-N	405.477	3.948	10	20	HHCD	
COCCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1c(C)c2ccccc2n1C	472287028	LOFAUQANWGPKOB-UHFFFAOYSA-N	409.486	3.574	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2Cc3ccccc3-c3ccccc3C2)c1	726196448	RBXNBJSKDWJVIF-UHFFFAOYSA-N	408.479	3.587	10	20	HHCD	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	727100752	ZOGRAZGWGZLHKH-MRXNPFEDSA-N	422.447	3.968	10	20	HHCD	
COc1ccc(N(Cc2cccs2)C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1	727139067	CICGENPYWKGUBO-OAQYLSRUSA-N	417.552	3.900	10	20	HHCD	
Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	728279033	CQMKRXRDJDVZMQ-HAVVHWLPSA-N	416.529	3.629	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N(C)C3CCCCC3)ccc21	728638647	FOYQIXMQAVOKHK-UHFFFAOYSA-N	400.519	3.852	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c1	728983068	UAZAYZGIUFGCRO-NEPJUHHUSA-N	423.296	3.938	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1	731048671	OWYQNSCAACMDBK-UHFFFAOYSA-N	416.566	3.685	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-]	731120449	ZJRXGPFLQSXCOD-UHFFFAOYSA-N	412.490	3.839	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2nnn(-c3cccc4ncccc34)c2C)cc1	731324008	WDXPLFDSPRLWNY-UHFFFAOYSA-N	414.513	3.900	10	20	HHCD	
O=C(c1ccc(OCC(F)(F)F)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1	731859114	RSERRFIRTVBCRR-MRXNPFEDSA-N	410.392	3.550	10	20	HHCD	
COC(=O)Nc1ccccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	733133051	GUGDUWRCSNACOU-GASCZTMLSA-N	415.465	3.548	10	20	HHCD	
C[C@@](CO)(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1	734845138	KUSKHPJWHXSBEF-FQEVSTJZSA-N	412.427	3.678	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(CN(C(C)=O)C(C)C)cc3)CC2)cc1	735174272	LXMFNQSCDOBWHY-UHFFFAOYSA-N	424.545	3.806	10	20	HHCD	
O=C(c1ccc(N2CCCCCC2)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1	735517463	CCZRVWDSNJGYGC-OAQYLSRUSA-N	409.530	3.989	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CNC(=O)c2sccc2-n2c(C)ccc2C)c1	735697609	XKENXVOAYXOANJ-IBGZPJMESA-N	400.500	3.636	10	20	HHCD	
O=C(NCc1ccc(O)c(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	739004004	KXADSTQZNVMZIL-UHFFFAOYSA-N	409.408	3.601	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccnc(-n3cccn3)c2)cc1	739552805	WLSNNQVGYYBJPY-UHFFFAOYSA-N	403.408	3.538	10	20	HHCD	
COCCCN(C)CCNC(=O)c1cc(C)n(-c2ccccc2Br)c1C	741725923	AKIBKVURPSUMEK-UHFFFAOYSA-N	422.367	3.555	10	20	HHCD	
CN(C)Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743736633	REDHNIKSLSMAGI-GOSISDBHSA-N	403.473	3.748	10	20	HHCD	
CCCN1CCC(N(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745907122	ZCHHYJBZAZHNOM-QGZVFWFLSA-N	424.536	3.773	10	20	HHCD	
CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	746167280	DMAXQAUTYXZXGY-AWEZNQCLSA-N	412.559	3.712	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cccc([N+](=O)[O-])c1C	747928648	JCEPDIKLJMDXFP-UHFFFAOYSA-N	407.264	3.963	10	20	HHCD	
CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	748692519	DQAONAYUINQPNM-FQEVSTJZSA-N	402.922	3.993	10	20	HHCD	
CCCCN1CCC(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1	749212687	OCTJSNMTNDYYFQ-QZTJIDSGSA-N	420.573	3.503	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1cc(F)c(I)c(F)c1	749338803	YBRFMELGDKAZMV-UHFFFAOYSA-N	404.154	3.597	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN(C)CCC2CCN(C3CCN(C)CC3)CC2)c1O	750836673	SVPAOSDKUUJKGJ-UHFFFAOYSA-N	422.013	3.876	10	20	HHCD	
CC(C)C(=O)Nc1nc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cs1	751300243	UEUUEDMWAVXVNK-UHFFFAOYSA-N	420.498	3.629	10	20	HHCD	
CCc1cccc(C)c1NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751930285	CFRHTTLIQDVOFY-UHFFFAOYSA-N	409.511	3.982	10	20	HHCD	
O=S1(=O)CCN(Cc2c(O)ccc3cc(Br)ccc23)[C@@H]2CCCC[C@H]21	754010903	JIZYPFPSWVGUBO-IEBWSBKVSA-N	424.360	3.850	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)c3cc(Br)c(F)cc3O)cn2)CCO1	756431618	OEGHLFCZMLKKLS-STQMWFEESA-N	424.314	3.765	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1O	756457857	GZFHNOMJQRQHJM-WDEREUQCSA-N	400.258	3.518	10	20	HHCD	
COCCOCCN(Cc1ccccc1)C(=O)c1cc(C)n(-c2ccccn2)c1C	757056971	ZJOSHLKTYAQXAD-UHFFFAOYSA-N	407.514	3.795	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3CCO)c(C)n1-c1cccc(Cl)c1	759703417	URTDCCJZVBGKBR-FQEVSTJZSA-N	412.921	3.744	10	20	HHCD	
CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1Cl	761996784	YPBJYXKSERIAPK-UHFFFAOYSA-N	416.858	3.731	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1	762730391	ABUOIXHYNBWDLA-PWRODBHTSA-N	403.567	3.647	10	20	HHCD	
Cc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1C(=O)NC(C)C	765282918	MCOKRKPSUSHNBC-UHFFFAOYSA-N	420.307	3.923	10	20	HHCD	
CN1CCC2(CCN(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)CC2)C1=O	770420279	WVKLESHCQIDEDA-UHFFFAOYSA-N	412.578	3.609	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C	772603648	KPSJHYSUTRWBFZ-WMZOPIPTSA-N	404.555	3.648	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1	772777472	VJRVOAZXGIKCML-QPEQYQDCSA-N	417.417	3.789	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(C2CC2)c(C)cc1=O	774043841	NPASALKJTGEWFA-UHFFFAOYSA-N	405.292	3.622	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)ccc1OCCCC(=O)O	775292189	UVBVBCCQDDTOTJ-UHFFFAOYSA-N	407.488	3.670	10	20	HHCD	
COc1ccc(CCC(=O)N2CCCN(Cc3cc(Cl)cc(F)c3O)CC2)cc1	775668163	SLFHPMPNDCXNIC-UHFFFAOYSA-N	420.912	3.860	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(N(C)C)nc4ccccc34)CC2)cc1	780982378	SIAQJMINDYGZDN-UHFFFAOYSA-N	404.514	3.662	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3Oc3cccnc3)c2)CC1	781271132	UIFQXVDSWFUNAJ-UHFFFAOYSA-N	416.481	3.795	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)ccc21	782719036	RPKVXPSBEJLKRX-QGZVFWFLSA-N	421.467	3.831	10	20	HHCD	
COc1cccc(C(=O)NCC(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1	782774140	PFNASDWHUDPMAJ-SFHVURJKSA-N	418.493	3.921	10	20	HHCD	
CCOC(=O)c1ccsc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784062138	YEZLFDJXERRXEM-UHFFFAOYSA-N	415.515	3.811	10	20	HHCD	
Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	785294159	LNOXLGFTSJLPBZ-MRXNPFEDSA-N	420.465	3.884	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)cc1	785439161	MHBRHCXOUHCCKT-HSZRJFAPSA-N	415.537	3.512	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc([C@H]4C[C@H]4C)o3)cc2)CC1	787330391	VUQJHEIOMKTDNN-UTKZUKDTSA-N	409.530	3.572	10	20	HHCD	
Cc1ccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc1	788731866	GVCTVUQHRQJGBD-UHFFFAOYSA-N	422.451	3.587	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H](c3cncc(Br)c3)C3CC3)cc2)CC1	790621606	AXVWJKWYPKIAEL-OAQYLSRUSA-N	415.379	3.837	10	20	HHCD	
O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)c1cccc(O)c1O)C2	790675539	DCMFVOZYEHTSFA-UHFFFAOYSA-N	403.438	3.940	10	20	HHCD	
CC(C)NC(=O)NC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCCC1	792097430	QHMZABCFUGXVCT-UHFFFAOYSA-N	400.567	3.704	10	20	HHCD	
C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cc1cc2c(cc1O)OC[C@@H]2O	793600718	UVNMBFFPPGCLRL-CCMJGWDWSA-N	409.404	3.799	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(F)c4ccccc34)cc2)C1	795000104	RAAWMQXTTXFINR-KRWDZBQOSA-N	405.473	3.611	10	20	HHCD	
C[C@@H](OC(=O)C(C)(C)C(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	795850953	ONEVMZUCDIPCSW-LLVKDONJSA-N	415.392	3.624	10	20	HHCD	
Cc1cc(-c2nnc(N3CCC[C@H](N4CCCC4)C3)n2C)c(C)n1-c1ccccc1	800748307	WPIHQZXNKCSQRI-NRFANRHFSA-N	404.562	3.954	10	20	HHCD	
Cc1ccc(C2=NO[C@@H](CNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2)cc1	800754203	QEBSLGSZNVVHQQ-JOCHJYFZSA-N	406.530	3.928	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N1CC=C(c2cccc(Cl)c2)CC1	806279357	LYRPDZRBXXQCHI-UHFFFAOYSA-N	421.975	3.711	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3cc(F)c(F)cc3N3CCOCC3)ccc21	806710241	QKSUDXWOHQDTBS-UHFFFAOYSA-N	416.472	3.506	10	20	HHCD	
O=C(NC1CCCCC1)OC[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1	809719418	ZKBVYTIPGIXFJY-JOCHJYFZSA-N	401.551	3.547	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CCN(c4nccs4)CC3)cc2F)C[C@@H](C)O1	812824813	MNJIDAIBZGRRGU-IYBDPMFKSA-N	404.555	3.654	10	20	HHCD	
COc1ccccc1N1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1=O	914506485	OOUUJZRSTOJUDM-IBGZPJMESA-N	409.530	3.551	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)c(C)n1-c1ccccn1	914903648	QZEKHSPZHHFWIG-PXNSSMCTSA-N	419.481	3.674	10	20	HHCD	
C[C@@H]1CCCN(CCCCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	916504107	QEBYOCBYTQDHEW-CTNGQTDRSA-N	403.567	3.595	10	20	HHCD	
Cc1ccc(N(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)c1	917084634	XOVDRDHEQSNRJT-RTBURBONSA-N	413.537	3.809	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCCN2CCC[C@@H]2CO)c1	1341391672	VUNPIWINBSWKSR-LJQANCHMSA-N	403.954	3.714	10	20	HHCD	
COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccccc12	19352668	TUASPJLOXVBZQX-UHFFFAOYSA-N	406.482	3.730	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCCC2=O)cc1	65990572	GIKIZGJPRGHYAQ-SFHVURJKSA-N	406.530	3.974	10	20	HHCD	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3O)ccc2C)cc1	116289521	OWXXYXVCUKKXEF-UHFFFAOYSA-N	410.495	3.740	10	20	HHCD	
Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1Br	323010236	GCVNAGYFHAPFRO-UHFFFAOYSA-N	420.668	3.616	10	20	HHCD	
Cc1c(CNC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)n(C)c2ccccc12	471830035	BPKFNVNDGIKMMC-NRFANRHFSA-N	404.558	3.851	10	20	HHCD	
COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(OCCOC(C)C)c1	475948365	WFBDLDNMBZIXNF-UHFFFAOYSA-N	414.502	3.604	10	20	HHCD	
Cc1cc(C(=O)NCC2CCN(C)CC2)c(C)n1-c1ccccc1Br	725728513	LNPKBUBPIZNQHW-UHFFFAOYSA-N	404.352	3.928	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c(C)n1-c1ccc(F)cc1	725904416	SAOOEMKTCIOCAL-UHFFFAOYSA-N	421.472	3.537	10	20	HHCD	
CN(CCCNC(=S)Nc1cccc(Cl)c1N1CCOCC1)c1ccccc1	726453458	GITZARBXLDVNEV-UHFFFAOYSA-N	418.994	3.990	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3nnc(Cc4ccccc4)s3)CC2)cc1	726693963	VDEMJYJKQVONQS-UHFFFAOYSA-N	423.542	3.928	10	20	HHCD	
CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1	727249825	FESYRPPIPYCIRO-UHFFFAOYSA-N	417.512	3.968	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CN3)c1C	727524128	VHORQBCBYYXVPV-UHFFFAOYSA-N	417.465	3.806	10	20	HHCD	
COCCOc1ccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1	730593992	XZUXGMIBYFCRNW-ATVHPVEESA-N	408.589	3.501	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CCCN(C)C2)c(C)n1-c1ccccc1Br	731024980	HITRURFIGLTSKU-INIZCTEOSA-N	404.352	3.928	10	20	HHCD	
CCOC(=O)c1cnc2nc(C)ccc2c1NCc1ccc(N2CCOCC2)cc1	733894026	HYAKAMKLNIFJHL-UHFFFAOYSA-N	406.486	3.564	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1F	735112754	ISAZOPXYMNBBLN-HNNXBMFYSA-N	422.451	3.571	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3cc(Cl)ccc3F)cc2F)C[C@@H](C)O1	735416785	HZBKEJCMGJTFFR-ZIAGYGMSSA-N	424.875	3.927	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cc(F)cc(Br)c3)c2)CC1	739768355	PXQDWKWQSGKALF-UHFFFAOYSA-N	420.282	3.542	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)cc1	741067986	QDZRKMDBOSJZOW-UHFFFAOYSA-N	418.563	3.958	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccs2)cs1)c1cnn(-c2ccccc2F)c1	743045803	ZODQYRMFOIADDK-UHFFFAOYSA-N	406.489	3.997	10	20	HHCD	
C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	743312053	CKKUCNFFLXXHLN-INIZCTEOSA-N	402.485	3.811	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2ccccc2)CC(F)F)c1	743398088	SJNBTZHEPMIJSG-UHFFFAOYSA-N	418.484	3.694	10	20	HHCD	
COc1cccc([C@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N(C)C)c1	743714631	JLFGNFOYWZVROF-QHCPKHFHSA-N	412.534	3.986	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1c(O)ccc2c1CCCC2	743717940	WWMXALKUBFUTMB-UHFFFAOYSA-N	403.482	3.573	10	20	HHCD	
CCN(CC(=O)N(CC(F)(F)F)C(C)C)Cc1cc(Br)ccc1O	743871275	ZUDCQCXIADCNAZ-UHFFFAOYSA-N	411.262	3.776	10	20	HHCD	
O=C(NCCNC(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccc(F)cc1	745765714	IOJXQTMWNUCYRO-UHFFFAOYSA-N	413.493	3.806	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cccc(N4CC=CC4)c3)CC2)cc1	745796715	UJAOYQHFEUZGER-UHFFFAOYSA-N	406.530	3.540	10	20	HHCD	
COc1ccccc1O[C@H](C)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	745901336	HBOJRYSBIPJWIK-IEBWSBKVSA-N	414.502	3.559	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(C)c(N4CCOC4=O)c3)CC2)cc1	746732459	TUIPIUMJURWBGV-UHFFFAOYSA-N	424.501	3.704	10	20	HHCD	
CCc1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)nn1-c1ccccc1Cl	748184550	RHQROVOIRBIWDA-UHFFFAOYSA-N	401.873	3.618	10	20	HHCD	
Cc1ccncc1/C=C\C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	752481966	UKKGGIOGLZIWRE-ZAGZISDZSA-N	424.545	3.851	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@H](Oc4cccc(F)c4)C3)CC2)cc1	753155886	XRGJFAZHIOMXQP-QFIPXVFZSA-N	413.493	3.666	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1	753642409	CTPRCTMJGBMJLX-NSHDSACASA-N	406.269	3.951	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C[C@H](C)C(=O)c3cccc(F)c3)CC2)cc1F	753738345	HXMJJEWQWAXJLK-HNNXBMFYSA-N	402.441	3.531	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1cc(Br)cc(F)c1O	756417042	OBBOERBUOZDRLK-LLVKDONJSA-N	401.320	3.982	10	20	HHCD	
C[C@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(Br)cc1O	756678813	YNZLQYRIWYZNBA-CMPLNLGQSA-N	411.246	3.889	10	20	HHCD	
COc1ccc(-c2cncc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cc1	758158777	QIEFVIXGYBQBKP-UHFFFAOYSA-N	403.482	3.524	10	20	HHCD	
CCNC(=O)N1CCc2ccc(NC(=O)NCCCSc3nccs3)cc21	758610489	BDSCITSKALJPOG-UHFFFAOYSA-N	405.549	3.539	10	20	HHCD	
O=C1C[C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1	758615669	ASHTZFHVXWFCQN-NRFANRHFSA-N	422.529	3.723	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)C2CC2)cc1	760068441	JLASMSCNYRUFAQ-UHFFFAOYSA-N	419.522	3.633	10	20	HHCD	
COc1cc(Cl)cc(CN(C)CCC2CCN(C3CCN(C)CC3)CC2)c1O	761202439	DZYGVVKFQZTTIM-UHFFFAOYSA-N	410.002	3.682	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)cc2)CC1	764234011	CIXDXSSJNNBKKO-UHFFFAOYSA-N	413.543	3.574	10	20	HHCD	
COc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cc1Cn1cccn1	765282301	LYAVYLQTSWDCJP-LJQANCHMSA-N	406.530	3.627	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccnc3C(F)(F)F)cc2F)C[C@@H](C)O1	765472388	OIKUZCVFEJTWJM-CHWSQXEVSA-N	411.399	3.783	10	20	HHCD	
Cc1nc(-c2ccc(S(=O)(=O)NCc3cccc(Br)c3O)cc2)co1	766202284	ZATTYLOVFJZDRT-UHFFFAOYSA-N	423.288	3.597	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	768165354	CYZSXIDHUJMJHJ-RTBURBONSA-N	418.459	3.733	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(F)F)c(Br)c1	768267216	ONXIQWXCPSKFHD-XYOKQWHBSA-N	409.186	3.512	10	20	HHCD	
Oc1cc2c(cc1CN1CCC[C@@H](c3nc(C(F)(F)F)cs3)C1)[C@@H](O)CO2	768461392	CCLFZEKKJDWPHI-YGRLFVJLSA-N	400.422	3.673	10	20	HHCD	
Cc1cc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c(C)n1-c1ccc(F)cc1	772569448	CCZKRONKIUNQJC-NRFANRHFSA-N	410.493	3.553	10	20	HHCD	
C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772687686	GAVCSNLLTKKLFN-SFHVURJKSA-N	408.550	3.534	10	20	HHCD	
C[C@H](NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl	772771701	XQIHJYCRDQWHBD-KTROKBFUSA-N	410.253	3.838	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c[nH]c2cccc(Br)c12	773745541	KZYOLTMHGKODCL-LLVKDONJSA-N	403.276	3.632	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)nn2[C@H]2C[C@H]3CC[C@H]2C3)cc1	775140988	NRPSFLAHTYHOQM-ZJOUEHCJSA-N	423.561	3.654	10	20	HHCD	
COc1cc(O)c(CNC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1OC	776257634	ZHSWIMUSMHQHNG-QKKBWIMNSA-N	408.901	3.985	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(c2ccsc2)CC1	777235661	CPZCJSVHBKGGOI-UHFFFAOYSA-N	417.550	3.938	10	20	HHCD	
O=C1N[C@@H](C2CCCCC2)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	777626840	LYUCUFRDRNPFIH-SFHVURJKSA-N	407.461	3.758	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCCOc2c(F)cccc21	778787217	FWZDGOFOHZAKHW-NRFANRHFSA-N	413.493	3.718	10	20	HHCD	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	779023547	SZUAGLXJBIEZPW-UZLBHIALSA-N	421.557	3.522	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](c3ccccc3)C3CCOCC3)CC2)cc1	782756140	HMKPFHGLQWOAJF-SANMLTNESA-N	423.601	3.965	10	20	HHCD	
COc1ccc(N(Cc2ccco2)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F	784192984	VRZFNNHPOUUNLB-MRXNPFEDSA-N	416.405	3.782	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(SC)c1	785191530	DQFDVGPTZDQURM-UHFFFAOYSA-N	423.332	3.864	10	20	HHCD	
CN(CCCNC(=S)Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccccc1	790332724	MUODAVIJIMRLAR-UHFFFAOYSA-N	420.586	3.628	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(CC(F)(F)F)CC1	790670420	BVSAXBWNBUJLMX-UHFFFAOYSA-N	403.420	3.536	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(I)c(C)cc2C)c1O	793688728	HQPVZBZAOQNVIN-UHFFFAOYSA-N	411.239	3.552	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H](O)c1cccc(C(F)(F)F)c1	795329818	RSFVQZHZTKSASO-SFHVURJKSA-N	410.461	3.608	10	20	HHCD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	796744121	LJSFXHSKOTYASD-NVXWUHKLSA-N	418.440	3.653	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805025193	KKDUKDWMCPYYMP-UHFFFAOYSA-N	423.557	3.684	10	20	HHCD	
C[C@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccc(N(C)C)cc1	805067014	GJDODWFYUPBJQD-NSHDSACASA-N	406.401	3.830	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C[C@H](C)S1(=O)=O	805392310	ICBAYGLKJDEUQI-KBXCAEBGSA-N	408.951	3.785	10	20	HHCD	
C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc2c(c1)CCCN2C	806634147	DSCXBSDNKJTJBU-MRXNPFEDSA-N	408.550	3.605	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1Cc2ccccc2CO1	806685190	PDRZDHIUDAORTG-UHFFFAOYSA-N	403.429	3.914	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H](C)CCC(C)(C)C	807277564	ZYHMIRVROBQNSZ-ZDUSSCGKSA-N	413.356	3.834	10	20	HHCD	
Cc1ccc(CN2C[C@@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)CC2=O)cc1	807839411	DGEPKERZXGOIEC-HNNXBMFYSA-N	407.297	3.672	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C)cc1SC	807867856	PCAFBUGXCSMSEB-UHFFFAOYSA-N	400.544	3.868	10	20	HHCD	
O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1Cc1cc(-c2ccccc2)ccc1O	809708221	AZIFDXDIPHQFOO-FGZHOGPDSA-N	410.514	3.929	10	20	HHCD	
CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc2ccccc2c1O	816502053	MCCLGYBNGSETPL-UHFFFAOYSA-N	400.276	3.773	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)cc1	912760307	WKPLONKVVLBPBS-QGZVFWFLSA-N	411.329	3.564	10	20	HHCD	
CCN(CC)c1ccc(CN(C)Cc2ccc(S(=O)(=O)N3CCCC3)o2)cc1	915677619	IHTKVQSXUMLWBJ-UHFFFAOYSA-N	405.564	3.542	10	20	HHCD	
COCc1ccccc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	915748314	FLAHXIUSIACGBA-UHFFFAOYSA-N	405.498	3.538	10	20	HHCD	
C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H](C)O1	915754519	PPPDTPISYLCHFR-ROUUACIJSA-N	423.517	3.656	10	20	HHCD	
CN(C(=O)c1ccccc1C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCCC1	916595524	ODNLXHZODWTBSZ-UHFFFAOYSA-N	411.454	3.542	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)C1	917832544	AESWTBMTEUHGRM-DLBGWLJESA-N	409.574	3.611	10	20	HHCD	
Cc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918294885	LWMHTNGPYJADQP-KRWDZBQOSA-N	402.878	3.500	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C(=O)NCc3ccccc3)c2C)cc1	919862757	PLNOIDGLKOPCEV-KRWDZBQOSA-N	405.498	3.537	10	20	HHCD	
CC(C)CCOC1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	920870425	FKABGAVJMLMREY-IBGZPJMESA-N	403.567	3.821	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1	1116646187	ZESMXEDETUATCL-LBPRGKRZSA-N	405.376	3.663	10	20	HHCD	
CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C	6329739	KUBDQHNLROZNDI-HZHRSRAPSA-N	416.477	3.997	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3nccn3-c3ccccc3C)CC2)cc1	7284163	FETRGQHPLAPOHQ-UHFFFAOYSA-N	422.554	3.630	10	20	HHCD	
CCc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc(-c2ccncc2)n1	301190390	YMCZKHXNYWAKIS-UHFFFAOYSA-N	403.530	3.922	10	20	HHCD	
OCC1CCN(c2ccc(CNc3ccc4nnc(-c5ccsc5)n4n3)cc2)CC1	302297696	MKLYILOKOUCCST-UHFFFAOYSA-N	420.542	3.674	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([S@@](C)=O)cc2)C1	435816595	HXEPPHHWKGEOEX-GDLZYMKVSA-N	409.555	3.784	10	20	HHCD	
CCO[C@@H](C)c1noc(CN(C)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1	464037586	GJLRRJLZLDYXOG-INIZCTEOSA-N	414.506	3.657	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccccc2)n(C)c2ccccc12	519839694	KIHJIOLLWWZGTO-QGZVFWFLSA-N	417.431	3.913	10	20	HHCD	
CN(C)C(=O)c1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1Cl	726475770	DCKGBAPQKHXTQB-UHFFFAOYSA-N	404.967	3.855	10	20	HHCD	
Cc1ccccc1[C@]1(C)NC(=O)N(CN(Cc2ccc(N(C)C)cc2)C(C)C)C1=O	728043730	INDSCABWGTXZSU-DEOSSOPVSA-N	408.546	3.696	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)C3CCC3)cc2)C1	729233579	RSGFBCJWAWKZJI-GMAHTHKFSA-N	420.557	3.729	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(N4CCCC4=O)CC3)c2C)cc1F	729482702	OPMXDTJUIDZVJM-UHFFFAOYSA-N	411.521	3.811	10	20	HHCD	
Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)nnn1-c1ccc(F)c(Cl)c1	731183596	LFLPGUSFCMXEFH-UHFFFAOYSA-N	401.873	3.706	10	20	HHCD	
COC(=O)CN(CC(=O)Nc1ccc(C)cc1Cl)Cc1cc(Cl)ccc1O	731844967	MFQBPAKQMGXAJL-UHFFFAOYSA-N	411.285	3.621	10	20	HHCD	
COC(=O)c1ccc2c(O)nc(CN(Cc3ccccc3O)C3CCCC3)nc2c1	731848140	ULZMZASGVCETAU-UHFFFAOYSA-N	407.470	3.772	10	20	HHCD	
Cc1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C(C)C)n1	734100481	BVZJPXGEYXJEQH-GASCZTMLSA-N	400.498	3.591	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cc1F	734171826	MPFSICLKCCXPAY-UHFFFAOYSA-N	417.872	3.637	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1	742476301	USDPAJMOWOIQRL-JOCHJYFZSA-N	407.514	3.724	10	20	HHCD	
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCc1c(O)ccc2c1CCCC2	743130113	MLPXNKUKBGTTGB-UHFFFAOYSA-N	423.513	3.837	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1	743913618	LEMQIAMGIAQNSJ-UHFFFAOYSA-N	413.493	3.776	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	745859678	CRKOMDMEGGLOLR-USXIJHARSA-N	411.340	3.890	10	20	HHCD	
O=C(NCCCNC1CCCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745904565	RTVNWFGYSIMRQH-SFHVURJKSA-N	424.536	3.868	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](CS(C)(=O)=O)c3ccccc3)c2C)c1	748067864	MBCPWEHPNVGJHP-JOCHJYFZSA-N	410.539	3.918	10	20	HHCD	
CC[C@H](C)Oc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OC	749673075	ANLKKBZEIABXMO-JASJWYONSA-N	409.529	3.939	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(O)nc3c(Br)cccc23)cc1F	749933321	GBDBALASJSJRML-UHFFFAOYSA-N	418.266	3.838	10	20	HHCD	
CC(C)c1sc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)nc1-c1ccccc1	751589320	PEDJDMCELPSIIS-HNNXBMFYSA-N	418.544	3.892	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(COC(C)(C)C)cc3)ccc21	752725831	IFWQLOAXUAEJDE-UHFFFAOYSA-N	409.530	3.639	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCO[C@H](c2ccco2)C1	753929083	AOAOECMPPKRGFO-IBGZPJMESA-N	421.444	3.633	10	20	HHCD	
Cc1c([N+](=O)[O-])cnc(N(Cc2ccccc2O)C[C@@H]2CCCO2)c1Br	754061061	RYDFFGRVQDGHAF-AWEZNQCLSA-N	422.279	3.952	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](NC2CCOCC2)C(C)C)c(C)n1-c1ccccc1	754512100	WFZBNMRVXOHXCS-QHCPKHFHSA-N	412.530	3.613	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccccc3Cn3cncn3)n2)s1	758382584	HRNYODXQPIOFIE-UHFFFAOYSA-N	417.541	3.621	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(F)ccc2OC(F)F)cc1	760093095	RSVSRLAIQLOLEQ-UHFFFAOYSA-N	423.435	3.870	10	20	HHCD	
CCCCCC[C@@]1(C)NC(=O)N(Cc2ccc(N3CCC(O)CC3)c(F)c2)C1=O	761100247	QEAHBSCIVMQOCR-JOCHJYFZSA-N	405.514	3.568	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F	762663568	YVCHZVZDUOUMGE-UHFFFAOYSA-N	411.836	3.571	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@@](=O)C[C@@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	763876969	IULQVMOFKDCRRM-MLNJSSBLSA-N	424.513	3.579	10	20	HHCD	
Cn1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)nc1Cl	764523475	HOHACKMBBLCNQN-UHFFFAOYSA-N	407.279	3.790	10	20	HHCD	
CCCS(=O)(=O)Nc1ccccc1C(=O)N(CC)Cc1ccc(N(C)C)cc1	764896678	HHRMJUIJYIHXBC-UHFFFAOYSA-N	403.548	3.567	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cccc(Br)c1O	765754876	XQXCMUCIKIJTBT-GOSISDBHSA-N	415.287	3.735	10	20	HHCD	
CC(C)Cc1ccc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	765977320	FADGAWJWBXTTGZ-LJQANCHMSA-N	400.588	3.971	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(-c2ccncc2)cc1	765978221	MLNYEYMRYTWHOT-LJQANCHMSA-N	421.566	3.834	10	20	HHCD	
O=[N+]([O-])c1cn(CN2CCCc3cc(OC(F)F)ccc32)nc1-c1ccncc1	766350803	JINNPQYYUAOBPM-UHFFFAOYSA-N	401.373	3.865	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3cccc(F)c3F)cc2F)CC1	766559337	JYMMDUHIZDLSFV-HNNXBMFYSA-N	420.479	3.806	10	20	HHCD	
COC[C@@H]1CCCCN([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1	767940285	KORPOTJAUNSVNN-IAGOWNOFSA-N	420.509	3.538	10	20	HHCD	
COc1ccc(N2CCCN(Cc3cc4c(cc3OC(F)F)OCO4)CC2)cc1	768997222	BDSLWCBOPUZCEO-UHFFFAOYSA-N	406.429	3.738	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccnc(O)c2)c(C)n1-c1ccc(OC(F)F)cc1	769056266	UBTNIDNBBMOPII-UHFFFAOYSA-N	416.380	3.836	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc(Cn2ccnc2)c1	771063973	GFLYWHZELWZTJI-NRFANRHFSA-N	424.932	3.685	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cnn(-c4ccccc4)c3C)CC2)cc1	772450559	PXTWWGDFLKDVIY-UHFFFAOYSA-N	405.502	3.980	10	20	HHCD	
Cc1ccc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c(O)c1O	772786775	UQDCPKLSSLGPIX-UHFFFAOYSA-N	411.376	3.741	10	20	HHCD	
C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl	772951592	UIWFUMUKOCGUEI-VGSWGCGISA-N	413.949	3.628	10	20	HHCD	
COCc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	772956401	WEKYKLLBMDZQDA-UHFFFAOYSA-N	421.497	3.660	10	20	HHCD	
CN(C)c1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nc2ccccc12	774066328	MWKPADDERJPNRJ-GOSISDBHSA-N	405.498	3.828	10	20	HHCD	
CCOc1cccc([C@H]2C[C@H]2NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	775726938	BXNJHQVXBULJDY-FGZHOGPDSA-N	411.571	3.994	10	20	HHCD	
COc1cccc(C(=O)c2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)c1	781004591	GYVDWMPESODBTC-HNNXBMFYSA-N	405.450	3.698	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C	784027105	GBJWTUWBZKFWCL-UHFFFAOYSA-N	406.486	3.534	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Oc3ccc(-c4ncn(C)n4)cc3)ccc21	787101856	WGJPNSLTWHYFDO-UHFFFAOYSA-N	404.470	3.919	10	20	HHCD	
CC(C)(C)[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(F)cc1	788247190	NIDYZHZORYZGFP-OAHLLOKOSA-N	409.552	3.784	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC[C@H](c2ccc(F)cc2)C1	792037841	DYVJOAHUZAHNNS-ICSRJNTNSA-N	415.484	3.937	10	20	HHCD	
CN(C)c1ccc(CN2CCS(=O)(=O)C3(CCCCC3)C2)c(C(F)(F)F)c1	792841602	BUXNAESYKIUBPC-UHFFFAOYSA-N	404.498	3.705	10	20	HHCD	
Cc1cc(C(=O)CN(C)C2C[C@@H]3CC[C@H](C2)N3C)c(C)n1-c1ccc2c(c1)OCCO2	796460986	FLUFYAQVBOWGDJ-PMSBKCLSSA-N	423.557	3.605	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC[C@@H]1CCC(F)(F)C1)c2[N+](=O)[O-]	797557182	YQUZIYURJUOHKL-LLVKDONJSA-N	414.364	3.535	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1	800998799	LNBBARYLLAOENI-HXUWFJFHSA-N	409.534	3.638	10	20	HHCD	
CCCCN(CC(=O)NCC(=O)Nc1cccc(Cl)c1C)Cc1ccccc1O	801596221	UMILDHAKXSAWKY-UHFFFAOYSA-N	417.937	3.711	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCCN(C2CCCCC2)C1=O	807160958	XUBNHBAZJFWJHW-MRXNPFEDSA-N	414.333	3.822	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)cc1	809579922	IJFFXQKPVRSFKG-RJGXRXQPSA-N	422.525	3.565	10	20	HHCD	
O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	809709826	SIOMBEVMMUJVPN-IRLDBZIGSA-N	401.551	3.547	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1	810208772	XXWGAPSCQGCLJF-LFIBNONCSA-N	401.469	3.626	10	20	HHCD	
COCc1cc(=NCc2ccc(N3CCC(O)CC3)c(F)c2)c2cc(F)ccc2[nH]1	811738565	BYSIKLGKBIKQFC-UHFFFAOYSA-N	413.468	3.655	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1	811823989	BPLJWLXSPCQOJM-UHFFFAOYSA-N	402.516	3.583	10	20	HHCD	
O=C1CSc2cc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)ccc2N1	813402437	SCJOJTUEMPPLJJ-UHFFFAOYSA-N	401.451	3.693	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(Br)nn3C)ccc21	816710819	HKJRBAOAUHJBCI-UHFFFAOYSA-N	405.296	3.653	10	20	HHCD	
O[C@@H](COCc1ccco1)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	836232416	ACPSWYNTRYXVID-OALUTQOASA-N	414.527	3.992	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCCc3nc(-c4ccc(F)cc4)no3)CC2)cc1	915274152	PKUOGDMQQIUTNE-UHFFFAOYSA-N	424.476	3.556	10	20	HHCD	
Cc1cccc(C(C)C)c1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918295568	QNEVWNOHUYIYIN-LJQANCHMSA-N	410.514	3.970	10	20	HHCD	
CCc1cccc(Oc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)cn2)c1	918444083	KJBYUCRTYDTTJE-UHFFFAOYSA-N	405.454	3.739	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1	918659339	PZCRFRZHAJIYGM-UHFFFAOYSA-N	414.502	3.708	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccoc2)c1C	919484752	JHXDQBXZRPAXBS-INIZCTEOSA-N	408.454	3.540	10	20	HHCD	
CC(C)(CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	920046356	HAGSZWPGSFAWOB-HXUWFJFHSA-N	422.573	3.555	10	20	HHCD	
CS[C@H]1CC[C@H](N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	1318806189	UBWIVWRCDUHQCL-STQMWFEESA-N	424.478	3.726	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3c(F)cccc3Br)CC2)cc1	1320025178	ZPKDATIPVVMPTQ-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc4cc(OC)ccc4nc3C)CC2)cc1	1336482351	HNAAYRIPALCHCH-UHFFFAOYSA-N	405.498	3.913	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)C3CCN(Cc4ccccc4)CC3)CC2)cc1	1340945850	PTTPNHULCYLHIA-UHFFFAOYSA-N	407.558	3.646	10	20	HHCD	
CCOc1ccc(NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N(C)C	1345400425	LOUYFADOTQBUMB-UHFFFAOYSA-N	403.548	3.548	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)OCc3cc(=O)n4ccsc4n3)c2C)cc1	7226097	MKWSZZJZVMEOJJ-UHFFFAOYSA-N	409.467	3.529	10	20	HHCD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCc1ccc(O)c(O)c1	98076912	VWBVIWPFMLKUDX-UHFFFAOYSA-N	420.296	3.930	10	20	HHCD	
COc1ccc(OC)c2c1CN(C(=O)c1sccc1-n1c(C)ccc1C)C[C@@H]2O	195685120	PJWPUZSLGLJYMO-KRWDZBQOSA-N	412.511	3.862	10	20	HHCD	
Cc1nc(-c2ccncc2)nc(NCc2ccc(N3CCC(CO)CC3)cc2)c1C	301230311	AIWDHBZWCOJXFD-UHFFFAOYSA-N	403.530	3.976	10	20	HHCD	
Cc1c(CNC(=O)N[C@@H](C)c2ncc(Br)cn2)n(C)c2ccccc12	431909574	POOUFQVFIDJWRZ-LBPRGKRZSA-N	402.296	3.600	10	20	HHCD	
Cc1c(CN[C@H](C(N)=O)c2ccc(Br)cc2F)n(C)c2ccccc12	481604948	MZXYPJFSCNISRN-SFHVURJKSA-N	404.283	3.705	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3SCC(N)=O)ccc21	481988949	DOASJIVEARLHAF-UHFFFAOYSA-N	411.527	3.734	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCNC(=O)CC2CCCCC2)cc1	726261338	UYSVWUUZPBGMSV-UHFFFAOYSA-N	402.583	3.761	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(N3CCCC3)nn2)c(C)n1-c1cccc(F)c1	726885367	NOAFAVSQQNIJBN-UHFFFAOYSA-N	422.460	3.663	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H](c2ncc[nH]2)C1	727941901	LHSHVCNCUJZKEQ-OAHLLOKOSA-N	419.476	3.569	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCc2cc(Br)ccc2F)c1	728950359	LQNHIHRZBQFXDG-NSHDSACASA-N	411.271	3.905	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1	729050123	WKUOQZAYNHBMGU-CABCVRRESA-N	407.511	3.551	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(C(=O)c2ccccc2)C1	731184471	FJVORQJXZNOOIZ-JOCHJYFZSA-N	405.542	3.846	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1	734687401	YSBLGFZBIHECNC-QGZVFWFLSA-N	404.555	3.507	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnc(-c4ccccc4)[nH]3)cc2F)C[C@@H](C)O1	736070428	VQNYRXYCTQCXNA-IYBDPMFKSA-N	408.477	3.759	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C2CC2)cc1	741428131	URDLSQGGPQUCGA-FQEVSTJZSA-N	416.566	3.730	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)N1CCCCC1)c1ccccc1	741737361	VORBACVSXVDEIL-XMMPIXPASA-N	407.558	3.709	10	20	HHCD	
Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	742245721	NLKSPIYDIDSDLL-UHFFFAOYSA-N	423.561	3.727	10	20	HHCD	
COc1cc(C(=O)NCCCSc2nccs2)cc(OC)c1OC(F)F	742669057	FQNFIORJCWJFLG-UHFFFAOYSA-N	404.460	3.674	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1C	743047545	ZLSACNGWACCHIV-UHFFFAOYSA-N	402.516	3.819	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1	744069216	MKSPLJSQRICYBH-JOCHJYFZSA-N	405.473	3.764	10	20	HHCD	
Cc1cc([C@H]2CCCN2CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)on1	744387607	CTZBDAOVRQNEIO-HXUWFJFHSA-N	415.449	3.534	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1	746495655	CBJUEUJBWMJRIE-IBGZPJMESA-N	420.469	3.515	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)on4)c3C)NC2=S)c1	747977109	JKNNIYKEBGJTBJ-ZDLGFXPLSA-N	408.483	3.661	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2ccco2)c(C)n1-c1ccc(Br)cc1	749190519	LFLLVTIBVQKYEP-KRWDZBQOSA-N	403.276	3.913	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H](CNC(C)=O)c3ccccc3)ccc21	749213058	KRZJZVDIUDREMQ-HSZRJFAPSA-N	408.498	3.939	10	20	HHCD	
O=C(COCc1nc2ccccc2s1)N(Cc1ccccc1O)C[C@H]1CCCO1	751293951	JKDPXYLLNMHZPA-QGZVFWFLSA-N	412.511	3.726	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccn(Cc2ccc(F)cc2)c1=O	755837130	MLGVTECQGAFAFP-UHFFFAOYSA-N	420.488	3.958	10	20	HHCD	
CCn1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1-c1ccccc1	756663786	GVUQHLMXUPXHLF-GOSISDBHSA-N	404.514	3.898	10	20	HHCD	
CCN(CC)C(=O)COc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)c1	756840278	KWVJFXQPHORUPA-OAHLLOKOSA-N	400.475	3.599	10	20	HHCD	
C[C@H]1CCN(C(=O)NCCCSc2nccs2)CCN1Cc1ccccc1	759589485	JDBLAYJILIZKAW-KRWDZBQOSA-N	404.605	3.931	10	20	HHCD	
Cc1c(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)cnn1C	759761946	MQKXGLXBYKNRNM-UHFFFAOYSA-N	401.308	3.829	10	20	HHCD	
C[C@@H](NCCC1(C)OCCO1)c1cc(Br)cc(Br)c1O	760883660	RBOSOZWRKRYXSA-SECBINFHSA-N	409.118	3.721	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)C2CC2)cc1	761820995	OAGVMXZGUSYJFH-NRFANRHFSA-N	424.520	3.761	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	761994696	CXEAQLKMVPXJLL-UHFFFAOYSA-N	420.365	3.907	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1	763020867	KUKNDDSOXFLXGV-XOBRGWDASA-N	421.900	3.686	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)c2C)c1	764071857	VKFOFNQKDNFQNX-DVECYGJZSA-N	408.590	3.501	10	20	HHCD	
CO[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1ccccc1Cl	764795828	ATAIGGUDKIINTJ-HNNXBMFYSA-N	413.699	3.995	10	20	HHCD	
CCOc1cccc(CN[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)c1O	764983257	WJFHQEHACGRPBW-KRWDZBQOSA-N	419.319	3.757	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1Cc2ccccc2C(F)(F)C1	771539545	DVIFUKCJTJOQHN-UHFFFAOYSA-N	419.447	3.604	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)ccc3-n3cc(C)cn3)CC2)cc1	772454440	MROGKBUOZXVQHG-UHFFFAOYSA-N	405.502	3.852	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-c2ccccc2)nn1	773276271	UJWISRRSYYYFMI-UHFFFAOYSA-N	403.486	3.644	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1NC(=O)C(C)(C)C	773844261	DFUASKZYICHWTJ-INIZCTEOSA-N	424.545	3.862	10	20	HHCD	
O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(N3CCSCC3)cc2)n1	774131834	OQGQLWMWBJKLFX-MOPGFXCFSA-N	401.536	3.618	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccnc(OC3CCC(C)CC3)c2)c1O	775047844	DXPPUWJXYIJUDS-UHFFFAOYSA-N	401.463	3.951	10	20	HHCD	
COc1ccc([C@H](NC(=O)N2CCN(c3ccc(OC)cc3)CC2)C(F)(F)F)cc1	776000013	WMPKVAUCVGIHAE-IBGZPJMESA-N	423.435	3.839	10	20	HHCD	
Cc1cc(C(=O)N(C)C[C@@H](O)C(F)(F)F)c(C)n1-c1cccc(Br)c1	777823924	RKZLCPFHUQULRC-OAHLLOKOSA-N	419.241	3.852	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cncnc3-c3ccccc3)cc2F)C[C@@H](C)O1	777849416	SFIRNTYYXAUZKM-CALCHBBNSA-N	420.488	3.826	10	20	HHCD	
Cc1c(C(=O)N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)sc2ccccc12	779519234	IWCPIYWHJSLXLN-VQHVLOKHSA-N	422.506	3.619	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)cc1	780783240	AWNTUPVIMOPNCX-GMAHTHKFSA-N	424.541	3.640	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1	781371967	LDCWVNUIJLPIMS-OAQYLSRUSA-N	411.550	3.690	10	20	HHCD	
COc1c(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)oc2ccccc12	788860990	JKCWCOFOBNDZRZ-UHFFFAOYSA-N	409.486	3.620	10	20	HHCD	
COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)[C@H]1CCCO1	790271567	QAGUUCXIQBTIRV-RTBURBONSA-N	421.335	3.780	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccccc3CC(C)C)CC2)cc(OC)c1OC	790890262	XKEPDAWCMBKKIR-UHFFFAOYSA-N	412.530	3.873	10	20	HHCD	
CCOCCCN1CC[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)C1	792976747	UGBSEWXNNJCJPW-OXJNMPFZSA-N	401.517	3.998	10	20	HHCD	
COc1cc(Cl)cc(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)c1O	793604284	DIVCPDSOFKZSPM-IBGZPJMESA-N	417.937	3.833	10	20	HHCD	
CC[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1O	796813048	VNPLSYINBSZTGV-FQEVSTJZSA-N	406.523	3.673	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(Cl)c(Cl)cc1F	799256297	ZPZHNHCDFXLSST-UHFFFAOYSA-N	411.260	3.972	10	20	HHCD	
Cc1ccc(CC[C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)o1	805025058	NSWZNYOSZVTSPC-GOSISDBHSA-N	411.546	3.578	10	20	HHCD	
CC[C@@H](N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1cccc(Cl)c1O	806170131	OPVUZZVKGSMXKO-MOPGFXCFSA-N	418.921	3.905	10	20	HHCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)cc1	806170136	OSKVJXYAPFIECM-JTSKRJEESA-N	411.546	3.612	10	20	HHCD	
O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cc(Cl)ccc1Cl	807385171	CRURAZJFVDXLQC-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
CC(C)NC(=O)NC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCCC1	813685804	SQANSGINIBAWGN-UHFFFAOYSA-N	402.322	3.726	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(C)Cc1ccc(N2CCOCC2)cc1	857759000	WNXHJBIENMIPKA-FQEVSTJZSA-N	422.573	3.582	10	20	HHCD	
Cc1cc(F)ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	874313675	MICFXBQEKKJNBY-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccc2ccccc2c1	917016750	ZMGPCXWUKDBZHN-UHFFFAOYSA-N	421.516	3.564	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCCn3cnc4ccccc43)cc2F)C[C@@H](C)O1	918139441	DHKBGEHJGUKGSU-HDICACEKSA-N	424.520	3.886	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3c[nH]c4ccccc34)cc2F)C[C@H](C)O1	918150473	JHAJMQYJPUACCT-IRXDYDNUSA-N	424.520	3.963	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1cccc(F)c1)C1CC1	918223147	FMFDGMCJPDHBAH-UHFFFAOYSA-N	401.457	3.676	10	20	HHCD	
C[C@H](OC(=O)CCC(C)(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	919290729	HTTMXBALEXXBQL-LBPRGKRZSA-N	415.392	3.768	10	20	HHCD	
CCc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1	920880313	FSWBZFXBEZJPOS-KRWDZBQOSA-N	422.504	3.901	10	20	HHCD	
O=C1NCCN(Cc2ccc(N3CCCC3)cc2)[C@H]1c1ccccc1C(F)(F)F	1325132178	DEHMVHFNJDCSHV-FQEVSTJZSA-N	403.448	3.979	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1sccc1F	1800712338	HLSXTMGPONKYSG-ZSBIGDGJSA-N	424.881	3.517	10	20	HHCD	
COc1cc(N2CCO[C@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1OC	301863931	AWAJASJQNAGSBC-SFHVURJKSA-N	423.263	3.952	10	20	HHCD	
Cc1nc(CN2CCN(C(=O)c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)CC2)no1	303330511	UEJNVFRTLPKREZ-UHFFFAOYSA-N	421.545	3.867	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)cc1)C1=S=CC=C1	445405996	VOWFWEIRBIUOEE-UHFFFAOYSA-N	415.434	3.670	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@](C)(CC(=O)OC)c3ccccn3)ccc21	486555270	HXGXJAQKXOXFEB-DEOSSOPVSA-N	423.513	3.508	10	20	HHCD	
C[C@H](NC(=O)N(C)C[C@H]1OCCc2ccccc21)c1ccc(N2CCOCC2)cc1	725865777	PCIXFXNYDKVUGE-FDDCHVKYSA-N	409.530	3.540	10	20	HHCD	
CN(C)CCOc1ccccc1CNC(=O)N(Cc1ccco1)Cc1ccccc1O	726249265	HBYAGUNSNIDRRG-UHFFFAOYSA-N	423.513	3.838	10	20	HHCD	
Cc1ccccc1CN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1	727599724	AYBLOZLVDGJAHQ-OAQYLSRUSA-N	420.557	3.571	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCCc2nnc3n2CCCCC3)cc1	727606274	FHRDQGAFRIHFRX-UHFFFAOYSA-N	412.582	3.625	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2nc(-c3ccco3)no2)cc1	728837284	PJALKUKSJGICIS-UHFFFAOYSA-N	422.407	3.919	10	20	HHCD	
CN(C)C(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1	728838123	CAGGOFWYTZTWMZ-UHFFFAOYSA-N	407.436	3.659	10	20	HHCD	
COc1cccc(CNC(=O)COc2ccc(Br)cc2Cl)c1O	729861527	QNVREEZXHPXPJM-UHFFFAOYSA-N	400.656	3.512	10	20	HHCD	
Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)nnn1-c1ccc(OC(F)F)cc1	731183762	PKOUHKXAHATGJR-UHFFFAOYSA-N	415.444	3.515	10	20	HHCD	
COC(=O)CN(Cc1nc(-c2cccc(Cl)c2)no1)Cc1cc(Cl)ccc1O	731844673	HTBSAJGPRMJNGO-UHFFFAOYSA-N	422.268	3.924	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)c1	732558555	BFXUCKLHFHQMRT-QFIPXVFZSA-N	408.590	3.643	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc3c(OC)ccc(Br)c3[nH]2)c1	734018422	QKALUDZWGPLHMZ-UHFFFAOYSA-N	405.248	3.583	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)c1	734064999	QIDVSOPSHPXVIF-HDICACEKSA-N	411.546	3.878	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1	734533775	HYKPNDNCOMXQEO-NSHDSACASA-N	402.838	3.665	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@](C)(O)C(F)(F)F)c(C)n1-c1cccc(F)c1	740752051	TUISCPPMCFPCFC-SFHVURJKSA-N	401.356	3.663	10	20	HHCD	
Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	741736961	WUUBBEFBMPDIFH-KRWDZBQOSA-N	401.938	3.944	10	20	HHCD	
CC(C)[C@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCS1	743554689	KIPIBAFHIBNDGC-JXXFODFXSA-N	409.571	3.722	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1)c1ccc(N2CCOCC2)cc1	743564413	KUKXMQDAFOYDJT-RBUKOAKNSA-N	419.529	3.830	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1OC	744391550	YSRJDWINJBJGQQ-UHFFFAOYSA-N	415.490	3.965	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCOc1ccc(F)cc1	745587108	VAVWZTPFJICBSV-UHFFFAOYSA-N	411.271	3.904	10	20	HHCD	
O=C(NCCOC1CCCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745716847	OLPYZXLCYIRVJJ-INIZCTEOSA-N	411.493	3.905	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1	747442100	ZWCUBKWNAOUTLY-RUZDIDTESA-N	406.574	3.950	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CSc3ccccc3O)cc2F)C[C@@H](C)O1	747808624	INHBSGOKKLVNLQ-HUUCEWRRSA-N	404.507	3.553	10	20	HHCD	
O=C(Cc1cccc(OC(F)(F)F)c1)NCc1ccc(N2CCC(CO)CC2)cc1	747883443	IBFFZZQJAZXZIL-UHFFFAOYSA-N	422.447	3.653	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21	751801600	XGPBNROBHNTBSD-HXUWFJFHSA-N	420.557	3.887	10	20	HHCD	
COc1cc(NC(=O)CN(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(OC)c1	752420374	WPQXKWXZMHJZOK-UHFFFAOYSA-N	421.497	3.822	10	20	HHCD	
Cc1nnccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	753517376	MZFQHRITXQLWKL-UHFFFAOYSA-N	415.396	3.834	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3cc(C)ccc3F)CC2)cc(OC)c1OC	758924230	YLFXOQGSLJNONV-UHFFFAOYSA-N	419.522	3.679	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H](C)CCC(C)(C)C)CC2)cc(OC)c1OC	759269070	VOUGUMSHCSMOIG-MRXNPFEDSA-N	407.555	3.759	10	20	HHCD	
COc1cc([C@H](C)NC(=O)NCCCSc2nccs2)cc(OC)c1OC	759559641	BKBOXDGJWUDUSE-LBPRGKRZSA-N	411.549	3.712	10	20	HHCD	
CC(C)CO[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	759584854	QLJMOZWDJZBCOR-LPHOPBHVSA-N	411.493	3.713	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccccc3SC)CC2)cc(OC)c1OC	759928197	PUZSISOJTLQNDP-UHFFFAOYSA-N	417.531	3.788	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3occc3-c3ccccc3)CC2)cc(OC)c1OC	760085726	HSVNSFSGMUXNAN-UHFFFAOYSA-N	422.481	3.935	10	20	HHCD	
Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	760890576	ZEVLCQBMRJWXKN-UHFFFAOYSA-N	414.509	3.912	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccccc1Br)c1ccc(N2CCOCC2)cc1	764565812	GOJVBEWEKLNVIL-HNNXBMFYSA-N	418.335	3.575	10	20	HHCD	
CN(C)c1nc2cc(NC(=O)NCc3cccc(Br)c3O)ccc2o1	765315892	DYANNWNVFGYPLE-UHFFFAOYSA-N	405.252	3.684	10	20	HHCD	
COc1cc(Br)ccc1C(=O)NCc1cccc(Br)c1O	765770396	QCYJNGJQRWFIOK-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	766878945	LAXSUEDQFVFMJM-JOCHJYFZSA-N	412.509	3.537	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1	768195752	BFSMJZRINVZMRC-SFHVURJKSA-N	403.567	3.648	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1	768959283	YTXITRKWOKQUGA-IBGZPJMESA-N	408.468	3.874	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc([C@H](C)CCC(C)(C)C)n3)CC2)cc1	771069486	VWBCHOVNMNZURJ-QGZVFWFLSA-N	414.550	3.899	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2nc(COc3ccccc3)n[nH]2)cc1	771379280	XUFKSZMYHPWCRR-UHFFFAOYSA-N	422.533	3.572	10	20	HHCD	
Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1ccc(N2CCN(C)CC2)cc1)N3	771521989	XSQCNNOAKIJLSC-HXUWFJFHSA-N	407.543	3.519	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cc(S(C)(=O)=O)ccc2F)cc1)C1CCCCC1	771835030	XCOBTUKSMUZJAV-UHFFFAOYSA-N	418.534	3.928	10	20	HHCD	
Cc1cc(C)c(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(Cl)c1	772901964	QQLCVUDDHNELMF-UHFFFAOYSA-N	405.901	3.661	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)c3ccc(SCC)cc3)nc12	775355029	FYBOAGFQFRQBNK-ZDUSSCGKSA-N	400.504	3.574	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1	775374761	DQOGRINVEMOVEM-HUUCEWRRSA-N	400.475	3.644	10	20	HHCD	
CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	780397781	QPBCOXMAYHPBHW-HZPDHXFCSA-N	413.493	3.636	10	20	HHCD	
CC(C)c1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)no1	782423931	QCCOBMREJPHBMC-UHFFFAOYSA-N	410.474	3.625	10	20	HHCD	
COc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782424003	UUMYZOKITXCPGE-UHFFFAOYSA-N	407.470	3.522	10	20	HHCD	
Cc1noc(C2CC2)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782429219	QYJNZVYRYWMABK-UHFFFAOYSA-N	422.485	3.687	10	20	HHCD	
C[C@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1cnccn1	782676590	KKTFBDWPPDJSRM-GQVHDAKQSA-N	419.553	3.824	10	20	HHCD	
O=C(Nc1ccn(-c2ccccc2)n1)C(=O)N(Cc1ccccc1O)C1CCCCC1	782896188	NLSYGFOEPRHOHI-UHFFFAOYSA-N	418.497	3.878	10	20	HHCD	
CC(=O)N1CCN(c2cccc(N[C@H](C)c3cc(Br)ccc3O)c2)CC1	783299197	SUNNMTKGSOIMOZ-CQSZACIVSA-N	418.335	3.996	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1csc(-c2ccccn2)n1	783315646	FICHHUHTZVSACH-UHFFFAOYSA-N	423.542	3.647	10	20	HHCD	
Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1Oc1ccncc1	787716515	IVBGDXOVIQSGDX-UHFFFAOYSA-N	413.455	3.512	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1C(F)(F)F	790069316	WYFFWAVFAMTKFF-UHFFFAOYSA-N	409.769	3.652	10	20	HHCD	
O=C1/C(=C\c2cnn(Cc3ccccc3)c2Cl)SC(=S)N1Cc1ccon1	790593152	XKALTWJUAUBUBK-OVCLIPMQSA-N	416.915	3.974	10	20	HHCD	
Cc1ccc(CN2CC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2=O)cc1	790696109	JPZZAWVPVWLZHL-HSZRJFAPSA-N	420.557	3.536	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1	793536713	USSBEKYUQDCFCL-HSZRJFAPSA-N	421.516	3.866	10	20	HHCD	
CC(C)(C)c1ncc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1	793584985	VLJLUGHIMUMMKQ-UHFFFAOYSA-N	408.468	3.919	10	20	HHCD	
COc1cc(N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	799330299	CIZWHNLINQRLGN-CQSZACIVSA-N	409.483	3.743	10	20	HHCD	
Cc1cc(NC(=O)CNc2ccc(Cl)cc2C(=O)c2ccccc2F)n(C)n1	799966870	DHNKOALPOAMKBP-UHFFFAOYSA-N	400.841	3.803	10	20	HHCD	
Cc1cc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1Cl	807579368	QTMZQYLWZMRRIL-UHFFFAOYSA-N	401.938	3.768	10	20	HHCD	
C[C@H](CCOCc1ccccc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	807607447	OYNXWJAHMHRVHZ-HXUWFJFHSA-N	411.546	3.660	10	20	HHCD	
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F	808114954	JAPFNMROQSVIQD-UHFFFAOYSA-N	414.886	3.858	10	20	HHCD	
O=C(c1cccnc1)N1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1	809538314	YAZNTYSUONSHMX-UHFFFAOYSA-N	412.537	3.602	10	20	HHCD	
Cc1nc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1-c1ccccc1	810356742	NWQOPCZCBSJQRU-UHFFFAOYSA-N	406.461	3.517	10	20	HHCD	
Cc1cc(Br)cc(CNc2ccc(C(N)=O)cc2OCC(F)F)c1O	811515979	OLGDDINRSOGQJV-UHFFFAOYSA-N	415.234	3.818	10	20	HHCD	
Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1	811702933	HXNRVZIBFCLQKA-UHFFFAOYSA-N	413.879	3.778	10	20	HHCD	
COc1ccc([C@@H](O)C2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1	812903632	VPGQBQAXGDNMKB-UZUQRXQVSA-N	411.546	3.977	10	20	HHCD	
CNC(=O)c1cc(Oc2cccc(N[C@@H](C)c3cc(C(=O)OC)ccc3O)c2)ccn1	813884759	OBLICIGQICGWST-AWEZNQCLSA-N	421.453	3.899	10	20	HHCD	
O=[S@](c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1)C(F)(F)F	864007561	KTAQOEVVPYFRBW-HHHXNRCGSA-N	402.413	3.902	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OCC(F)(F)F)nc1	915699880	AJWYIVWAHAKYCW-UHFFFAOYSA-N	424.423	3.523	10	20	HHCD	
Cn1c(-c2ccc(N3CCCCC3)cc2)nc2c1c(O)nc(=O)n2Cc1ccccc1	916369533	ITGPNIHMJFDGQQ-UHFFFAOYSA-N	415.497	3.541	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)NCc2ccc(N3CCSCC3)cc2)no1	916624551	FYJDIIOMKPTZKZ-UHFFFAOYSA-N	409.515	3.920	10	20	HHCD	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1	918199313	SZQFVVICDDBTKM-ATVHPVEESA-N	419.549	3.895	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccncc3)cc2F)C[C@@H](C)O1	918219655	DGMMGFHJSMBHIW-LZJOCLMNSA-N	412.509	3.881	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2C)cc1	919860198	PXAVNJPDOIQYRK-UHFFFAOYSA-N	419.525	3.869	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Sc1ccc(Cl)cc1	1320520292	UUQXTVRKLNAXNH-LRDDRELGSA-N	423.918	3.522	10	20	HHCD	
COC(=O)N1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	1321256347	MQMRZCHXXVTMFS-INIZCTEOSA-N	422.957	3.560	10	20	HHCD	
COc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCCCO2)cc1	1324678216	YPFXQYYXELHOMR-FQEVSTJZSA-N	408.502	3.865	10	20	HHCD	
CC(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1	1792298430	YVYANBSUFSIUAK-WUXMJOGZSA-N	424.497	3.997	10	20	HHCD	
COc1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)ccc1OCCC(=O)O	16912218	ODSFSJTYKCBTEY-LDADJPATSA-N	412.467	3.940	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccn(-c4cc(C)ccc4OC)n3)CC2)cc1	109184030	JRQLFZIIWXSUFP-UHFFFAOYSA-N	420.513	3.550	10	20	HHCD	
CS(=O)(=O)c1ccc2ncnc(N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2c1	302796165	PNKWMCPBGIQMBA-UHFFFAOYSA-N	422.485	3.947	10	20	HHCD	
Cc1cc(C(=O)NCC(=O)N2CCCCC2)c(C)n1-c1ccccc1Br	303369816	JQPNGFRMIVMNLE-UHFFFAOYSA-N	418.335	3.599	10	20	HHCD	
Cn1cc(/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)c(-c2cccs2)n1	537652883	RHSAEUXDVSLSGA-XFXZXTDPSA-N	404.451	3.501	10	20	HHCD	
O=C1/C(=C\c2cc(Cl)c3c(c2)OCO3)SC(=S)N1CCc1ccccn1	726196741	ALKAVMHLIBDRSJ-OQLLNIDSSA-N	404.900	3.908	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	726265227	CYENYSMIJYVGKD-GOSISDBHSA-N	404.555	3.541	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccccc3-c3noc(C)n3)CC2)cc1	726695589	QLJMJDBXNWHSHY-UHFFFAOYSA-N	407.474	3.844	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)CC2)cc1	726713358	MZQHOLZDQOBVGZ-JOCHJYFZSA-N	413.518	3.648	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3OCCO4)n2)cc1C	727242363	ZRYBXRIPOKTCHH-UHFFFAOYSA-N	402.497	3.999	10	20	HHCD	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	732595712	VVCJMHGAGPYRLU-UHFFFAOYSA-N	424.545	3.643	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSC[C@H](C)C(=O)OC)c2C)cc1	734368686	QVEZZCYTOOEXCC-ZDUSSCGKSA-N	403.500	3.606	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(O)nc3cc(F)ccc23)cc1	739709132	RXWLZDPBXNCLMO-IBGZPJMESA-N	423.488	3.967	10	20	HHCD	
CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1	740800899	GVELGHCOQYMNEW-UHFFFAOYSA-N	417.531	3.501	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1	741920838	MPTFCQVDEGRIJD-UHFFFAOYSA-N	418.453	3.647	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(N2CCCC2)nc1	742800863	VHUONYYGSUQHNQ-QGZVFWFLSA-N	416.472	3.682	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c[nH]1	743047090	XJYKGLSMZVNNTE-UHFFFAOYSA-N	415.855	3.518	10	20	HHCD	
COC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(C)o1	746756529	DRYROIGJXPKESC-BXWFABGCSA-N	419.497	3.528	10	20	HHCD	
COc1cc(-c2noc(CN3CCN(c4ccc(OC)c(F)c4)CC3)n2)ccc1C	747656785	JFYRVASXXNOCAC-UHFFFAOYSA-N	412.465	3.524	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc2ccc(F)cc2s1	749945188	LMNPCWCYXQGPKS-UHFFFAOYSA-N	400.475	3.922	10	20	HHCD	
O=C1C[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c2ccc(F)cc2N1	751306841	CEYHZJAMIUMDHV-HNNXBMFYSA-N	401.401	3.600	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCC[C@@H](C)N3CCCCC3)cc2F)C[C@@H](C)O1	753108952	OUVQLICOYKMYNU-GUDVDZBRSA-N	420.573	3.503	10	20	HHCD	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	753644312	KNLGRPTXMDALLJ-HNNXBMFYSA-N	413.474	3.603	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3cc(-c4ccccc4)on3)CC2)cc1F	753931354	KVOMFSUZWCXPKY-UHFFFAOYSA-N	410.449	3.521	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CNC(=O)c2ccccc2C(F)(F)F)cc1	755196007	ZWMTZHGVIFOXOC-UHFFFAOYSA-N	407.436	3.598	10	20	HHCD	
CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	757631844	AOOMMYSCNFOSDE-WMZOPIPTSA-N	409.571	3.602	10	20	HHCD	
CCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	760054171	VLAIHJWPRXUOOK-PKOBYXMFSA-N	421.335	3.780	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C	760902719	SBSBECRNDFEXGX-UHFFFAOYSA-N	421.545	3.500	10	20	HHCD	
CN(C)c1ccc(CN2C(=O)[C@H](c3cccc(Br)c3)N(C)C2=O)cc1F	761175313	ADAOZMJGPCQEKD-KRWDZBQOSA-N	420.282	3.790	10	20	HHCD	
COc1cc(Cl)cc(CN2CCN(C(=O)c3cc4occc4s3)CC2)c1O	761203474	SXTLZMTXQPDSOO-UHFFFAOYSA-N	406.891	3.820	10	20	HHCD	
COc1cc(Cl)cc(CN(C)[C@@H](CO)c2cccc(Br)c2)c1O	761206246	UQJXDCLAUYJAEC-HNNXBMFYSA-N	400.700	3.982	10	20	HHCD	
CCc1noc2ncc(S(=O)(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc12	762578652	KXCVYDFRPKCUHM-UHFFFAOYSA-N	422.438	3.988	10	20	HHCD	
C[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccc(N2CCOCC2)cc1Cl	765062863	SSUZABRCTPJGAB-SFHVURJKSA-N	414.981	3.887	10	20	HHCD	
C[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N2CCOCC2)cc1	765129424	ZFCJNIRKXBRWJS-IBGZPJMESA-N	419.525	3.897	10	20	HHCD	
COc1cc(CN(C)Cc2ccccc2O)c([N+](=O)[O-])cc1OCC(F)(F)F	768872751	IBYQZKCVPJAPIT-UHFFFAOYSA-N	400.353	3.882	10	20	HHCD	
COc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2cc3c(cc2O)OCO3)c1	769542710	AWGSWJOYLSFOQY-QFIPXVFZSA-N	407.466	3.865	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	770831382	QTFCQQFNQOCCKO-JTSKRJEESA-N	415.509	3.580	10	20	HHCD	
Cc1ccc(-c2noc(-c3cc(NS(=O)(=O)c4cccs4)ccc3O)n2)o1	771188553	SEZCWNRQKKJAEU-UHFFFAOYSA-N	403.441	3.873	10	20	HHCD	
CCCCCCNC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	773610691	KTDZXIIPMVAINH-QUCCMNQESA-N	402.583	3.932	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1	775370717	PKBCTMKLJDXQQO-LBPRGKRZSA-N	406.866	3.505	10	20	HHCD	
COC(=O)CCN1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@@H](C)C1	775561973	ZFEJYZAEPSRYNK-SFHVURJKSA-N	423.517	3.610	10	20	HHCD	
CCN(C[C@H]1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1)CC(F)(F)F	776118493	QHIIBQYRIBQJBA-GOSISDBHSA-N	414.516	3.949	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccnc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	776491618	XDVUNXMCSKDZOU-CQSZACIVSA-N	424.423	3.742	10	20	HHCD	
Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)CC3	778623543	COEGFMNCBZGENR-IBGZPJMESA-N	418.541	3.670	10	20	HHCD	
COc1ccc(C[C@H](C)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC	781351245	MANHODZFLIPRHS-FXAWDEMLSA-N	413.514	3.796	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2	783318164	VHTFWROOWKIHKC-UHFFFAOYSA-N	411.502	3.636	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cnc(O)c4ccccc34)cc2F)C[C@@H](C)O1	786795413	KXAZONOQDASBQY-HUUCEWRRSA-N	409.461	3.623	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@@H]1CN(Cc2ccccc2)CCCO1	788019619	LZIPHHOAODZRHG-ZEQRLZLVSA-N	410.558	3.664	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1	790418638	YVNVBPDTJJLUKE-CYBMUJFWSA-N	411.907	3.824	10	20	HHCD	
CN(C)c1ccc(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1F	790601310	KBNUAWCOZDIRGA-UHFFFAOYSA-N	404.429	3.604	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	793724399	AFGRKIJIXQXLOO-IEBWSBKVSA-N	418.534	3.545	10	20	HHCD	
Cc1ccc(CCNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(C)c1	793761233	LKVVPQWKOJUROG-UHFFFAOYSA-N	407.558	3.515	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)Cc3cnn(C)c3C)c2C)cc1	795852791	CHXCWYBVNBOTTE-UHFFFAOYSA-N	409.486	3.503	10	20	HHCD	
COc1ccc(CCN2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)cc1	799204326	YOVFGBGREKHXGV-UYRXBGFRSA-N	413.520	3.910	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nccn1-c1ccccc1	804970367	WUVWXWMSJWMRAN-SFHVURJKSA-N	421.570	3.986	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cc(OC)ccc1O	809679584	ISALJBXRZDWVKJ-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C(F)F)C1	812042743	LAIOPKXBSUYIHV-GOSISDBHSA-N	401.461	3.843	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(OC(C)C)nc1	819519274	RFKKCEPJJOZKIE-UHFFFAOYSA-N	413.518	3.871	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C2CC2)cc1	914438510	BQMBIJMCSNYORL-UHFFFAOYSA-N	400.906	3.911	10	20	HHCD	
COc1ccc(-c2nc(COC(=O)c3cc(C)n(-c4ccccn4)c3C)no2)cc1	914903335	KIFHNXRXZGCPSZ-UHFFFAOYSA-N	404.426	3.905	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccc(-n2ccnc2)nc1	916236663	PRWJOGMEBLUAHB-UHFFFAOYSA-N	404.518	3.599	10	20	HHCD	
CN(C)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)cc1	918090529	GYSWBOYAWZFJRR-NHCUHLMSSA-N	415.509	3.525	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1	918198816	PHKKYTVFPGMPLW-OAQYLSRUSA-N	403.473	3.998	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)c2C)c1	918583988	JCXMLVABFDSBCE-XMMPIXPASA-N	416.481	3.709	10	20	HHCD	
CCCCO[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	920918208	XMNIPYCMOOFDJK-LSDHHAIUSA-N	423.465	3.537	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(Cn4cccc4)cc3)cc2F)CC1	1116008113	PFUVKBSHBZXOHZ-UHFFFAOYSA-N	420.532	3.747	10	20	HHCD	
C[C@H](N[C@H](C)c1cc(Br)cc(Cl)c1O)C(=O)NCC(F)(F)F	1321027263	KDSIHNFQKMCZEY-RQJHMYQMSA-N	403.626	3.526	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C)C2)sc(C)c1-c1ccc(C)cc1	1321605369	MEJIJIGDGNJSII-HNNXBMFYSA-N	400.500	3.625	10	20	HHCD	
CC(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1826304768	CKDUQZHYNWQINV-KRWDZBQOSA-N	408.926	3.641	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)C(C)(F)F)C3)cc1	1845398365	FQGIHEIWMIEDFR-UHFFFAOYSA-N	401.457	3.566	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1(c2ccccc2F)CCCC1	7086406	GEZOGFJDBOIGKS-UHFFFAOYSA-N	412.505	3.905	10	20	HHCD	
C[C@H]1C(=O)N(CN(C)Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1	14215443	QSNMYVYFJCSDTA-IBGZPJMESA-N	406.530	3.924	10	20	HHCD	
Cc1cc(C(=O)COc2nnc3ccccn23)c(C)n1-c1ccc(OC(F)F)cc1	15572127	DQBSDZCARAELRR-UHFFFAOYSA-N	412.396	4.000	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(F)cc2F)cc1	104990719	YLUALPBFUPAVGD-LJQANCHMSA-N	404.457	3.617	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)cc1	301146742	BEHHLYKNFRHYBS-UHFFFAOYSA-N	412.490	3.823	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1	303015246	NOBKWTOJLWDFHN-ISKFKSNPSA-N	423.557	3.833	10	20	HHCD	
Cc1c(CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c2ccccc12	471220159	VANBKTIWHXUTPC-UHFFFAOYSA-N	407.558	3.826	10	20	HHCD	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C	472788580	NTHOBIHKCFXQOK-UHFFFAOYSA-N	420.513	3.645	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)NC(=O)C2CCCC2)cc1	733154754	IBFKIXVZJVBMCN-SFHVURJKSA-N	423.557	3.989	10	20	HHCD	
Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)nnc1C	734326147	VLQJTUCYYOWZLN-GXDHUFHOSA-N	418.569	3.775	10	20	HHCD	
CCN(CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C(=O)OC(C)(C)C	734432559	LAPRNLYWJJUARO-FQEVSTJZSA-N	419.566	3.517	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@@H]1NC(=O)OC(C)(C)C	741081923	AQCSAZVRUODRDF-APWZRJJASA-N	416.566	3.514	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](Cn1cccn1)c1ccccc1	741269892	MFMJZQSMNSQDAY-QFIPXVFZSA-N	421.570	3.677	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cc1	742240431	GLARNJNYSXVXRM-FQEVSTJZSA-N	422.356	3.749	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	743717314	LXZDJAGTIKQPND-SFHVURJKSA-N	410.489	3.579	10	20	HHCD	
CC(C)N(CC(=O)N[C@H](C)Cc1c(F)cccc1F)Cc1ccc(N(C)C)cc1	743841731	UFVBOWZRPZYHAD-QGZVFWFLSA-N	403.517	3.989	10	20	HHCD	
CCc1ccc([C@H](COC)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1	745846985	KAIABTNAOCPNIT-OALUTQOASA-N	402.491	3.626	10	20	HHCD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	746805385	YQTXDLJFELFQCP-OAHLLOKOSA-N	403.523	3.577	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1	749015397	WHGLGAIXMVJWDM-UHFFFAOYSA-N	417.513	3.742	10	20	HHCD	
CC(C)[C@@H](CCN(C)C(=O)NCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C	749311063	UYLXDPNHVNOAJZ-LJQANCHMSA-N	406.571	3.833	10	20	HHCD	
COc1cc(C)c(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)cc1OC	751290902	JZRJBEUAWINQPU-WQRHYEAKSA-N	400.525	3.851	10	20	HHCD	
COc1ccc(Oc2ccc(S(=O)(=O)NCc3cccc(OC)c3O)cc2)cc1	751305644	MUGKQXXGQNNNPP-UHFFFAOYSA-N	415.467	3.680	10	20	HHCD	
CC(C)(CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C	751503978	DPSAGGDQJMLQQQ-UHFFFAOYSA-N	406.527	3.978	10	20	HHCD	
Cc1oc2c(CN3CCC4(CC3)CNC(=O)C4)c(O)ccc2c(=O)c1-c1ccccc1	751931007	HQGRWKLHRKKNMW-UHFFFAOYSA-N	418.493	3.576	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)ccc1-n1nnnc1C(C)C	752988700	LPCJFAAKDFCUGY-UHFFFAOYSA-N	417.517	3.792	10	20	HHCD	
C[C@@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(F)c1O	756457656	JHDZZXVYBSWEHV-YPMHNXCESA-N	400.263	3.935	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)[C@@H](C)c3sc(C(C)C)nc3C)nc12	756644112	GQAAZMIEPDVIAM-ZDUSSCGKSA-N	417.535	3.693	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1cc(Cl)c2c(c1)OCCCO2	758584682	IFEFGXHBNJYCMC-UHFFFAOYSA-N	413.952	3.939	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCCC[C@@H]1C[C@@H](O)c1ccco1	759470860	BKPKDKIXDKGUSJ-FGZHOGPDSA-N	413.562	3.672	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)NCc2cccc(C(=O)NC3CC3)c2)s1	759712918	CMGIFMPJWPDIOJ-UHFFFAOYSA-N	403.573	3.741	10	20	HHCD	
CC[C@@H]1CCCN(C(C)(C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1	761273703	XURZTHJMJIEAJZ-OAHLLOKOSA-N	407.942	3.710	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cc(Cl)ccc1N1CCSCC1	761635893	AQHWPWZTYFKJTG-UHFFFAOYSA-N	407.923	3.669	10	20	HHCD	
Oc1cc2c(cc1CNC1CCN(Cc3ccc(Br)cc3)CC1)OCO2	761992643	OCEABSWDYCVQCS-UHFFFAOYSA-N	419.319	3.638	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1oc2ccccc2c1CSc1ncccn1	762267951	XLTCXDTYKORYJO-UHFFFAOYSA-N	421.478	3.899	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2Cc1csc(CNC(=O)c2ccccc2)n1	762333282	HNPWISMWTYKCRN-UHFFFAOYSA-N	408.527	3.538	10	20	HHCD	
Oc1cc2c(cc1CN1CC=C(c3cccc(Br)c3)CC1)[C@H](O)CO2	762460549	AIDAFOBMWSJZHL-LJQANCHMSA-N	402.288	3.870	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@@H]1CCCN1C(=O)OCc1ccccc1	763385995	HTTWLMNOZYCVDR-INIZCTEOSA-N	405.545	3.543	10	20	HHCD	
C[C@@H](N[C@@H](c1cccc(F)c1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764813528	FEHLMNQFRAMYCN-ZHRRBRCNSA-N	412.484	3.975	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)nc(O)n2CC(F)(F)F	764840536	JGRSIWUWVOKJRW-UHFFFAOYSA-N	418.419	3.834	10	20	HHCD	
CC(=O)c1cccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1	765416296	FZKBEQXRNOPPGB-UHFFFAOYSA-N	401.466	3.633	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(O)c(F)c2)NC(=O)OC(C)(C)C)cc1	768196322	CTVKWPWPICPYGK-SFHVURJKSA-N	417.481	3.593	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(N(C)C)cc1	773611865	AJRYOXWIWRYNGJ-ORAYPTAESA-N	418.900	3.711	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1)c1ccc(N(C)C)cc1	773846385	KYSJHBBMDFTZON-INIZCTEOSA-N	404.470	3.756	10	20	HHCD	
CCOCCCNC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775519860	SNKLAXAAIWGDQT-KRWDZBQOSA-N	412.534	3.792	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2ccc(Br)cc2O)cc1	775565050	BYJPFIJCAFXAQJ-ZIAGYGMSSA-N	412.349	3.976	10	20	HHCD	
COc1cc(O)c(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC	776222475	GMWZWYIFJGWWJV-HNNXBMFYSA-N	408.445	3.769	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H]3CCN(C(C)=O)Cc4ccccc43)cc2F)CC1	779062435	PBVBRNVDTNPDQZ-DEOSSOPVSA-N	424.564	3.551	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1	779372196	XZLTYUMPSIKDDC-XMMPIXPASA-N	423.582	3.865	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3c(F)cccc3Br)c2)CC1	781268022	DAQKMNKNMHZPHF-UHFFFAOYSA-N	420.282	3.509	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(-c2ccccc2)ns1	784638587	BQQINAGANWCBOM-UHFFFAOYSA-N	406.511	3.665	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)Nc1cccc([C@@H](O)CO)c1	785046717	OUJNXTQWYXBHFT-FQEVSTJZSA-N	404.426	3.705	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C=C\c3cc(C)c(C)cc3C)cc2)CC1	786258291	FLGAAHPBNMSLPU-YFHOEESVSA-N	405.542	3.610	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(C)c(Cl)s3)n2)c[nH]1	788842162	MZSJESZTWATTKJ-UHFFFAOYSA-N	417.921	3.749	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)cc1F	791916610	MMQOITGOJJALRI-UHFFFAOYSA-N	411.481	3.835	10	20	HHCD	
CO[C@]1(C)CCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	792882242	PVKNCXLDMYTRDS-PNLZDCPESA-N	407.530	3.540	10	20	HHCD	
C[C@]1(CNC(=O)NCCCSc2nccs2)CCN(Cc2ccccc2)C1	798437987	RLWRDZVZVQZNEP-HXUWFJFHSA-N	404.605	3.837	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1Br	799123714	DTOKIHYUTQBETD-UHFFFAOYSA-N	404.669	3.812	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1F	799254866	IZMYWKYPRPRTBR-UHFFFAOYSA-N	408.260	3.764	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3cccc4c3OCO4)sc2C)cc1	800925996	ZQUBEGJPZYTQSX-UHFFFAOYSA-N	404.469	3.657	10	20	HHCD	
CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)Cc1ccc(N(C)C)cc1	801112224	HFHQSOHZWHQRAB-GOSISDBHSA-N	407.967	3.881	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O	802224595	RKGJJZPUBAVTCI-JOCHJYFZSA-N	423.557	3.938	10	20	HHCD	
CC[C@H](NCC1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)cc(Cl)c1O	806159030	WSMASAKSENLXLI-INIZCTEOSA-N	409.379	3.801	10	20	HHCD	
COC(=O)c1c(F)ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1F	810337001	BTVSUBZSYLGEGG-CQSZACIVSA-N	420.412	3.670	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cn(C)cn2)c(C)n1-c1ccc(OC(F)(F)F)cc1	811225529	UHOJENSSZBJKGQ-UHFFFAOYSA-N	421.375	3.766	10	20	HHCD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1cc(Cl)cc(Cl)c1O	813683638	XIAXDJRKBHQPHJ-ABAIWWIYSA-N	402.322	3.535	10	20	HHCD	
COc1ccc(-c2nnc(COC(=O)c3sc4nc(C)cc(C)c4c3N)o2)cc1	834179213	OCQHHNYCMPQLRZ-UHFFFAOYSA-N	410.455	3.911	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(N)c(OC(F)(F)F)c3)CC2)cc1	857440140	JKXAOJPXTHCPCJ-UHFFFAOYSA-N	409.408	3.529	10	20	HHCD	
COc1ccc(C)cc1N1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1=O	914436946	FFMPHPYXIGWQKF-IBGZPJMESA-N	421.541	3.614	10	20	HHCD	
CC(C)c1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1	919765511	FTGUVHDYSLUEAH-UHFFFAOYSA-N	422.504	3.901	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c([N+](=O)[O-])c(C)nn3C)c2C)cc1C	920661078	OCFCQAQNPBCPFB-UHFFFAOYSA-N	424.457	3.701	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)cc1	1321229291	CVUDOQXPRCXXIR-MSOLQXFVSA-N	404.432	3.955	10	20	HHCD	
COc1ccc(N(Cc2ccccc2)Cc2ccc(OC)c(OCC(N)=O)c2)cc1	1340786262	NYBFJVLSNHEJNK-UHFFFAOYSA-N	406.482	3.775	10	20	HHCD	
COC(=O)c1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc([N+](=O)[O-])c1	10962420	BNNHQVOGFYBGBE-UHFFFAOYSA-N	411.458	3.644	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1	110461474	JGHQICXKNAJLLP-UHFFFAOYSA-N	414.449	3.661	10	20	HHCD	
CCN(C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[C@H](C)CS(=O)(=O)CC	303641927	SDYRFEMHUNVHQI-GOSISDBHSA-N	423.623	3.810	10	20	HHCD	
CCOc1ccc(NC(=O)CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	726242084	KENMOFNPKNARMX-UHFFFAOYSA-N	423.469	3.734	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)CC2)cc1	727157859	UZPFOWDLMMUYLZ-UHFFFAOYSA-N	419.566	3.816	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc2c1OCCO2	727245731	CBZKRFJRSBYLHD-UHFFFAOYSA-N	410.423	3.660	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1I	727995650	WFRITIMGKSAGFP-UHFFFAOYSA-N	412.246	3.735	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCCC1	731030846	UJCQITVWGXYEDV-QZTJIDSGSA-N	405.558	3.709	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc2)CC1	732462531	AFHXPZGIRIGBOQ-SFHVURJKSA-N	418.582	3.978	10	20	HHCD	
O=C(NCCCSc1nccs1)c1occc1CS(=O)(=O)c1ccccc1	733880895	QPVHGYMXQNOLHN-UHFFFAOYSA-N	422.553	3.622	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(CC(F)(F)C(F)F)CC2)c(C)n1-c1ccccc1	734002164	LOJLOMPTGMCQHX-UHFFFAOYSA-N	411.443	3.795	10	20	HHCD	
COC(=O)[C@@H](C)CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	734369040	XLXSEITVOXSIIB-ZDUSSCGKSA-N	403.500	3.590	10	20	HHCD	
Cc1cc(C(=O)NCC2(C(N)=O)CCCC2)c(C)n1-c1ccccc1Br	734465829	BUZGSZFXNIPWCF-UHFFFAOYSA-N	418.335	3.632	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3nc(C(C)(C)C)ns3)cc2F)C[C@H](C)O1	734932865	JRKABTRNNKIGNM-STQMWFEESA-N	421.542	3.910	10	20	HHCD	
CCOC(=O)c1sc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1C	738917337	DWUPTFMLLYVEMG-UHFFFAOYSA-N	421.494	3.531	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2c(nc1O)CCCC2	742798913	CZTQCOUEGKLRFX-HNNXBMFYSA-N	417.456	3.666	10	20	HHCD	
C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	743312054	CKKUCNFFLXXHLN-MRXNPFEDSA-N	402.485	3.811	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O	745846679	JAIJYJUCNSXJPH-LJQANCHMSA-N	414.937	3.743	10	20	HHCD	
COc1ccc(N(Cc2nnc3n(C)c(=O)c4cc(C)ccc4n23)CC(C)C)cc1	746169919	GFYNJBIPYVEAIS-UHFFFAOYSA-N	405.502	3.561	10	20	HHCD	
CN1C(=O)N[C@@]2(CCC[C@@H]2CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1=O	748098840	OXFBBLULJACHEB-VOIUYBSRSA-N	415.578	3.797	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(CNc3ccccc3)cc2)c1	748388215	MXVUWWOVDDSZJD-UHFFFAOYSA-N	411.483	3.628	10	20	HHCD	
Cc1nc2n(n1)CCN(CC(=O)c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)C2	750055448	BXOJWNKLPGFECY-UHFFFAOYSA-N	417.435	3.711	10	20	HHCD	
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)o1	750827272	AZSCXMNGOWFPAM-HSZRJFAPSA-N	423.444	3.785	10	20	HHCD	
COC(=O)c1cn(CC(=O)N(Cc2ccco2)Cc2ccccc2O)c2ccccc12	751289850	RCQIWGJLZQNENK-UHFFFAOYSA-N	418.449	3.956	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(F)cc2F)cc1	753364453	WAGIAMZDBGLMKC-UHFFFAOYSA-N	418.487	3.616	10	20	HHCD	
Cc1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cnc1Cl	754639512	JIRXLZARYJOQFS-UHFFFAOYSA-N	421.796	3.979	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccnc(Oc4ccccc4)c3)ccc21	754939330	LMRLXBUSVUHJST-UHFFFAOYSA-N	416.481	3.511	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1F	755070005	YWQMSTDGQRSVJO-CQSZACIVSA-N	403.479	3.707	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H](c1ccc(C)cc1)n1cncn1	756044589	GHEPFSOXNQKXEI-RPWUZVMVSA-N	405.546	3.581	10	20	HHCD	
C[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)ccc1O	756356130	YZHNTCJNPLSLML-YJBOKZPZSA-N	405.336	3.706	10	20	HHCD	
C[C@H](NCc1ccccc1CS(C)(=O)=O)c1cc(Br)cc(F)c1O	756634727	OKGFCTQOXIKPOA-NSHDSACASA-N	416.312	3.689	10	20	HHCD	
C[C@@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1O	756777259	HHMILQQMWOYRLB-SNVBAGLBSA-N	403.292	3.811	10	20	HHCD	
Cc1cccc(-c2nc(C)c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)[nH]2)c1	756889708	OTHNHDLVEVWRGF-UHFFFAOYSA-N	404.514	3.802	10	20	HHCD	
COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3sc(C)nc3C)n2)c1	757551409	KXNSWKRCGSZKJZ-UHFFFAOYSA-N	411.530	3.701	10	20	HHCD	
O=C(CCn1ccc2cc(Cl)ccc21)NCc1ccc(N2CCOCC2)c(F)c1	758509775	BMGYJURCFSAJOU-UHFFFAOYSA-N	415.896	3.977	10	20	HHCD	
C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	758576771	LXWNQKAZNGKHTR-APEZIOSESA-N	411.933	3.761	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O	761356802	YSHSYTMMAYMVQJ-QGZVFWFLSA-N	402.292	3.617	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCN(c2ccccc2F)C1	761679196	VKBDMYMTLHAXBV-MRXNPFEDSA-N	417.868	3.618	10	20	HHCD	
CN1CCc2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc2C1=O	761723317	DHBVBOJDQROQLA-UHFFFAOYSA-N	405.454	3.848	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N(C)Cc3ccccc3O)CCCC2)c1	761746416	UQHKCXMUHRWSBM-UHFFFAOYSA-N	401.528	3.754	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](CCSC)c3nnc4ccccn34)CC2)cc1	764723862	VEGDIOGGZBDGSZ-HXUWFJFHSA-N	411.575	3.791	10	20	HHCD	
CC(C)(C)c1ccc(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	764972399	VXZFWNXEJMPMNU-FQEVSTJZSA-N	407.558	3.545	10	20	HHCD	
CCC[C@H]1C(=O)NCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12	765699613	AEOQWMBRLBWYLW-IBGZPJMESA-N	406.482	3.575	10	20	HHCD	
CCn1nc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21	769725854	NDEVAZPMQWDCRB-FOWTUZBSSA-N	403.529	3.902	10	20	HHCD	
CCN(C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1	775258682	IYBBZKGMGLYBGB-KRWDZBQOSA-N	424.570	3.837	10	20	HHCD	
COCC[S@@](=O)Cc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775625301	VQTQECGHFIKCLB-WVDZOPJMSA-N	403.548	3.530	10	20	HHCD	
CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1nc(-c2cccnc2)no1	776133892	ZMSHTUDSKQOAHD-DNVCBOLYSA-N	408.506	3.955	10	20	HHCD	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cccc(O)c1O)CC2	776613021	KDNCWHAASSONSN-JOCHJYFZSA-N	405.450	3.903	10	20	HHCD	
C[C@H]1CN(c2ccc(N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)cn2)C[C@@H](C)O1	777704434	KERVCTXEFHTRQY-KSZLIROESA-N	414.525	3.844	10	20	HHCD	
CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	778244576	LRCIOTAAWKDAKE-ZHRRBRCNSA-N	403.954	3.730	10	20	HHCD	
Cc1cnc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(C)c1	780588342	GIEJSJRPFCJYHJ-LJQANCHMSA-N	412.534	3.760	10	20	HHCD	
CCOc1cc(N2CCOC(C)(C)C2)ccc1NCc1cc([N+](=O)[O-])ccc1O	780588896	AAPSAFMDWFKBKT-UHFFFAOYSA-N	401.463	3.926	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1NC(C)=O	784059568	NWKAFMQBXRABAF-UHFFFAOYSA-N	424.501	3.540	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1	785293978	IMNKKXLVVJHIKF-AWEZNQCLSA-N	414.527	3.818	10	20	HHCD	
CCc1ccc([C@@H](C)CC(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1	786258203	AKCQZQOBPQUISB-IBGZPJMESA-N	407.558	3.728	10	20	HHCD	
CN1C[C@@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c2ccccc2C1=O	787248976	UZBJLDBCKKQXFB-HSZRJFAPSA-N	405.542	3.941	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1	787495374	WDJLBCMZDOGFNG-UHFFFAOYSA-N	418.497	3.812	10	20	HHCD	
Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	789590563	UFKNNLGTZKNVOW-UHFFFAOYSA-N	417.513	3.925	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C)nc2onc(C)c12	791249102	CHUBAPZGZJICGE-UHFFFAOYSA-N	424.501	3.842	10	20	HHCD	
Cc1ccccc1C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	793682615	VWEGYYIRGMNWKM-FQEVSTJZSA-N	407.558	3.595	10	20	HHCD	
CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3ccsc3)n2)cc1	795549708	RLIYDAXLFBCCCR-UHFFFAOYSA-N	421.569	3.741	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CCN(c2nccs2)CC1	798508899	UWZGEYIGZGMDKH-UHFFFAOYSA-N	413.591	3.944	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccccc1CN1CCNC1=O	806393384	HXMSZSMBQNVMRS-UHFFFAOYSA-N	409.273	3.546	10	20	HHCD	
C[C@H](Oc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F	806986116	GUZRBMVZPDLKOH-KGLIPLIRSA-N	423.435	3.898	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C3(c4cccnc4)CCCC3)cc2F)C[C@H](C)O1	808281694	ODMZDAGVJSRDGA-ROUUACIJSA-N	411.521	3.963	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccnc(NC(=O)C3CC3)c2)cc1	808371270	POJQVBXLPRKMBR-UHFFFAOYSA-N	420.435	3.701	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1	809704360	AQZGBIQELLAIDD-RCZVLFRGSA-N	420.557	3.666	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ncc(C(F)(F)F)s1	812983352	NORPEAVHGQQWIF-UHFFFAOYSA-N	414.453	3.604	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3nsc4ccc(C)cc34)CC2)cc1	814805585	YCHXEROMKAKIFM-UHFFFAOYSA-N	424.570	3.555	10	20	HHCD	
COc1ccncc1CNCc1cc(Br)cc(Br)c1O	816619218	XJSVUQJYMCFYIS-UHFFFAOYSA-N	402.086	3.611	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1[N+](=O)[O-]	916456282	CBZDPHVQIOAVOP-UHFFFAOYSA-N	423.391	3.689	10	20	HHCD	
Cc1nc2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2nc1C	917709823	GFCUYASAJMYKTF-HUUCEWRRSA-N	422.504	3.929	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)CCCC2	917913433	AZLMSGQUXRTTCY-UHFFFAOYSA-N	402.585	3.597	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C2CC2)cc1	918066829	OUUUAFPXGCQHMI-DEOSSOPVSA-N	422.573	3.500	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NC1CCN(S(=O)(=O)Cc2ccccc2)CC1	1116588401	FDNHPLRBOQWVBW-PXNSSMCTSA-N	414.571	3.833	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)cc2F)CC1	1116590478	WKVYXEJZWXRGAY-NZQKXSOJSA-N	401.501	3.727	10	20	HHCD	
Cc1sc(NC(=O)[C@@H]2CC(=O)N(C)C2)c(C(=O)OC(C)C)c1-c1ccccc1	1317825206	YQGSWRWCYVWRSK-OAHLLOKOSA-N	400.500	3.706	10	20	HHCD	
CCN1CCN(c2ccc(CNc3ccc(C(C)=O)cc3[N+](=O)[O-])cc2F)CC1	301214548	ZEHPZMQPOPFGKC-UHFFFAOYSA-N	400.454	3.691	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	437008759	VOMWSWHWELGKTL-UHFFFAOYSA-N	410.455	3.824	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ccc(O)cc4)CC3)ccc21	489803603	CZARZDLHPIVEIK-UHFFFAOYSA-N	407.514	3.573	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](C)c2cc3cccc(F)c3o2)n(C)c2ccccc12	570595915	YIOZVEHFYOXZPM-CQSZACIVSA-N	407.445	3.866	10	20	HHCD	
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2=O	728280783	YGNVQHZPCDKRDL-SFHVURJKSA-N	419.525	3.628	10	20	HHCD	
O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cn(-c2ccccc2)nn1	728700746	VJROQWGAYLORAU-JLHYYAGUSA-N	409.371	3.940	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)cc2)CC1	731016163	FGSUXFUKNPUWBK-NRFANRHFSA-N	409.530	3.827	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H](O)c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	731499287	XJUSZALBLONGRW-HOYKHHGWSA-N	419.525	3.770	10	20	HHCD	
COC(=O)c1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1	731623232	ZBHXELKMOFYPLH-HSZRJFAPSA-N	424.541	3.680	10	20	HHCD	
O=C(c1cc(O)cs1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1	732283999	FLWWGLDFMAUYBJ-UHFFFAOYSA-N	403.504	3.674	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)c2C)c1	732563821	OFROWVCWGZPTQA-IBGZPJMESA-N	416.525	3.510	10	20	HHCD	
COC(=O)CCCc1nc(COC(=O)c2cc(C)ccc2-n2c(C)ccc2C)no1	733470126	HURDIQLJEKROFC-UHFFFAOYSA-N	411.458	3.638	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1	734646402	DLUIUYMHUXLERT-UHFFFAOYSA-N	408.546	3.938	10	20	HHCD	
O=C(c1sc(N2CCCC2)nc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1	735518310	SPIGHRPAFSGQGL-OAHLLOKOSA-N	421.950	3.924	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)ccc1F	737380654	SQQQIVBJZMEVDF-UHFFFAOYSA-N	409.464	3.918	10	20	HHCD	
Cc1cc(CC(=O)NCCCOC[C@@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1	740791429	WSQZUPFLNCHKHA-SFHVURJKSA-N	404.938	3.849	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)ccc1N1CCCC1=O	741056210	AAMBRLOTNZBQJQ-UHFFFAOYSA-N	406.486	3.520	10	20	HHCD	
CCc1c(C(=O)N[C@H](C)c2cc(OC)ccc2O)nnn1-c1ccc(OC(C)C)cc1	741283944	YMICSFCSUZUIMV-OAHLLOKOSA-N	424.501	3.822	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	741908448	APYGIIZODDITCV-GASCZTMLSA-N	401.438	3.586	10	20	HHCD	
COc1ccsc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742751348	SMTCFMWYHYAPNK-MRXNPFEDSA-N	419.547	3.819	10	20	HHCD	
CN1CCN(Cc2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)CC1	743429074	ZEKSXOVUUUKYJO-UHFFFAOYSA-N	419.525	3.575	10	20	HHCD	
CCN(CC(=O)N(C)Cc1ccc(F)cc1)Cc1cc(Br)ccc1O	743871325	BISNCNAEYOWRNB-UHFFFAOYSA-N	409.299	3.774	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CCc2ccccc2C1	743873215	KJHKLMADNKHKFR-HNNXBMFYSA-N	417.347	3.950	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3C[C@H](C)[C@H]3c3ccccc3)cc2F)CC1	745808416	LHVNWKVWSMAICP-MBSDFSHPSA-N	410.537	3.870	10	20	HHCD	
Cc1nc(C(C)C)nc(O)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	747408752	FHCPZEBDVANVIG-AWEZNQCLSA-N	420.460	3.614	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)oc1C	751127332	ZVVODTJHGGUTDZ-UHFFFAOYSA-N	412.876	3.952	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCN(c2ccccn2)C1	753467339	HDTXDQZUWKNYLH-FQEVSTJZSA-N	414.469	3.831	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl	753641045	XWGSUTZEXXMKQK-JTQLQIEISA-N	417.815	3.714	10	20	HHCD	
COC(=O)c1cc(Cl)cc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	753883531	NRJDXJIFMLHILK-UHFFFAOYSA-N	421.856	3.628	10	20	HHCD	
C[C@@H](Sc1ccccn1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754236942	AKBILIAMCORADS-HUUCEWRRSA-N	407.486	3.949	10	20	HHCD	
C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754551563	ITEGYICYIMNUOI-UHFFFAOYSA-N	408.413	3.527	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br	755017089	AFZJFLNRRLZRFV-UHFFFAOYSA-N	424.226	3.602	10	20	HHCD	
O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755359488	WCIRDRCHYARTSE-INIZCTEOSA-N	419.428	3.914	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1OC	759872078	HMPGXVCYYVFNEH-UHFFFAOYSA-N	421.881	3.596	10	20	HHCD	
COc1cccc(CNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O	764322702	VDPBIQHLMOOAPM-DOTOQJQBSA-N	406.523	3.690	10	20	HHCD	
CC(C)(C)Oc1cccc(CNC(=O)NCc2cccc(Br)c2O)n1	764798702	HMKOCNJNWVVUKU-UHFFFAOYSA-N	408.296	3.726	10	20	HHCD	
Fc1ccc2c(c1)CC[C@H]2NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765279429	FXNTXMDYEDVKLF-JOCHJYFZSA-N	421.495	3.859	10	20	HHCD	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769670724	GPUZCQUOAHYHQH-LLVKDONJSA-N	416.421	3.616	10	20	HHCD	
CSc1cccc(C)c1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	770718214	GIPYWGIFPPDVDM-QGZVFWFLSA-N	414.527	3.569	10	20	HHCD	
C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1nc(-c2ccccc2)cs1	772773783	DZGQQTNIARVDDY-AORWBKJGSA-N	410.451	3.805	10	20	HHCD	
CCn1ncc2c(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc(-c3ccccc3)nc21	773742599	XOXHWSLBXCAQLE-HNNXBMFYSA-N	416.481	3.890	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cnccc1-c1cccc(F)c1)c1ccc(N(C)C)cc1	773848325	VONVORDVRLWPEN-HNNXBMFYSA-N	406.461	3.770	10	20	HHCD	
CNC(=O)CCOc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	777681355	GSZSTSISHHFZLG-INIZCTEOSA-N	417.937	3.865	10	20	HHCD	
CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1cc(F)ccc1O	779001234	CMAPYYBCRFQKKG-UHFFFAOYSA-N	400.475	3.964	10	20	HHCD	
Cc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)c(O)c1O	780914899	GSWSDVFFNAANQW-UHFFFAOYSA-N	406.276	3.604	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)c2)CC1	781045606	MAKAIUVAJKXARA-UHFFFAOYSA-N	409.383	3.765	10	20	HHCD	
COc1ccc(/C=C\C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1O	781083931	IXVJIINGFYKXAF-DXAOBPHNSA-N	410.514	3.688	10	20	HHCD	
COc1cc(Br)cc(CNc2ccc3c(c2)N(C(N)=O)CCC3)c1O	785562818	LPWUSZRSGZUMAP-UHFFFAOYSA-N	406.280	3.607	10	20	HHCD	
CC[C@]1(C)Oc2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2O1	785870649	ZAQGLOASTIOFIM-JOCHJYFZSA-N	415.465	3.881	10	20	HHCD	
CN(Cc1ccccc1O)S(=O)(=O)c1cc(Cl)c(Br)cc1F	788059252	UMQWLVOTBCYQAT-UHFFFAOYSA-N	408.676	3.768	10	20	HHCD	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788936994	LXHXOQQYVRAJCX-FPOVZHCZSA-N	405.542	3.616	10	20	HHCD	
CCSCc1ccccc1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	789917319	PGGAZNQBOAUTHF-UHFFFAOYSA-N	413.587	3.500	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1	797627237	HHKZWDZXLNWFTA-CYBMUJFWSA-N	424.457	3.690	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])ccc21	798285601	ZACJXKLLNULDBS-UHFFFAOYSA-N	402.454	3.969	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cccc(OC)c2OC(C)C)SC1=S	799201291	WJZSURUOCSGQQC-RVDMUPIBSA-N	409.529	3.637	10	20	HHCD	
COC(=O)N1CCC(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	799914146	DVQAKTYRCLNOCL-HNNXBMFYSA-N	422.957	3.606	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C(=O)NC(C)(C)C	800720671	VNDIPUZXNIQOTN-CABCVRRESA-N	408.974	3.679	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1nccn2c(Br)cnc12	801547822	APSPXSMYUTZECP-UHFFFAOYSA-N	403.280	3.640	10	20	HHCD	
Cc1ccccc1[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C	803301108	ZCYPPDFOUZZUNR-AUSIDOKSSA-N	423.557	3.522	10	20	HHCD	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803687963	STBIEUNRUUVFJI-GOSISDBHSA-N	405.542	3.513	10	20	HHCD	
CC[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H](C)S1(=O)=O	805772228	HGBBMKDMURMBEB-JXFKEZNVSA-N	414.531	3.938	10	20	HHCD	
CC[C@H](NCc1ccc(CS(=O)(=O)NC)cc1)c1cc(Cl)cc(Cl)c1O	806133417	MUFNFHNSSPREAI-KRWDZBQOSA-N	417.358	3.989	10	20	HHCD	
CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	806542769	YAOXOFMBBAUEBX-WFXMLNOXSA-N	414.550	3.606	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl	806843247	HZVPJXJXGYWHHQ-SFHVURJKSA-N	416.905	3.754	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1ccccc1Cl)C(C)C	806846475	PSDBSJXZVKVMOO-FQEVSTJZSA-N	401.938	3.844	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)CCOCc3ccccc3)CC2)cc1	807606595	FOKMXTFGEVFSBB-FQEVSTJZSA-N	411.546	3.912	10	20	HHCD	
COc1ccc(CN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@H](C)C2CC2)cc1	807670926	JESYBCNMHQTPBT-ZWKOTPCHSA-N	423.557	3.766	10	20	HHCD	
O=C(NC[C@@H]1COc2ccccc21)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	808370257	OKHCVMYQVKCQTE-CVEARBPZSA-N	417.456	3.732	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(CCCCC(C)(C)C)n3)CC2)cc1	809465279	VQDYBLUZZBHNND-UHFFFAOYSA-N	414.550	3.728	10	20	HHCD	
CN1CCN(c2ccc(CNCC[C@H](O)c3ccc(Cl)c(Cl)c3)cc2)CC1	809755465	QZSGQDZKHKOOMD-NRFANRHFSA-N	408.373	3.959	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	813646734	MYUVGSVOSYIGOB-IBGZPJMESA-N	416.566	3.650	10	20	HHCD	
O=C1NC2(CCCC2)C(=O)N1CCCN[C@H](CCc1ccccc1)c1ccccc1O	815554662	FOMBPRUJCMOGOQ-OAQYLSRUSA-N	421.541	3.910	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc4cc(C)ccc4n3)CC2)cc(OC)c1OC	816100846	WCHURIVPGPTSBH-UHFFFAOYSA-N	421.497	3.531	10	20	HHCD	
COc1ccc(C)cc1CN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	914847051	LWUUYPJQLVGRHL-UHFFFAOYSA-N	418.541	3.764	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cccc(C(C)=O)c3)n2)cc1	916088714	DDWGYESNMFZPMU-UHFFFAOYSA-N	416.480	3.600	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(OCc2cccnc2)c1	916138336	GLWJIFHGCXERDK-UHFFFAOYSA-N	417.509	3.769	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)cc1	919916525	KWSCLGCUFSRMMI-UHFFFAOYSA-N	407.518	3.727	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)COc3cccc(C(F)(F)F)c3)CC2)cc1	920411659	WDRFLXASHIILDU-IBGZPJMESA-N	424.463	3.666	10	20	HHCD	
O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)NCCCSc2nccs2)CC1	1319100147	WDWFSLWQCVIXLJ-KRWDZBQOSA-N	416.572	3.783	10	20	HHCD	
COC(=O)c1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726608860	FSVPNUMRHGQLEQ-UHFFFAOYSA-N	419.428	3.865	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cccc(OCC(F)F)c3)CC2)cc1	726616106	YQELCUKSBXLAJA-UHFFFAOYSA-N	419.472	3.761	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1	726711682	HPZZODROFXEMIF-XZOQPEGZSA-N	409.530	3.585	10	20	HHCD	
O=C(NCc1cccc(OCC(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	726713748	GRKAAXYYCOVEEL-IBGZPJMESA-N	420.456	3.927	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)cc2)CC1	731017175	ZKAOJGNFQNIFAF-HSZRJFAPSA-N	406.574	3.846	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C	733341790	DMRQKEGPOVNXJC-HDICACEKSA-N	416.566	3.826	10	20	HHCD	
CCc1nc(COc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)no1	734422008	JZEFAWQKNAFTBR-UHFFFAOYSA-N	406.486	3.741	10	20	HHCD	
CSCC[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	736060099	SCOIRZBEJYRVDG-PBBNAPBQSA-N	414.643	3.987	10	20	HHCD	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCCCC2)cc1	742483648	UTCMHBBOCZBVPN-DEOSSOPVSA-N	418.541	3.522	10	20	HHCD	
COCCCOC1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	743599014	AWLZFQMZLBHIQR-UHFFFAOYSA-N	403.567	3.650	10	20	HHCD	
CSC(C)(C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	743799096	QIWDUJPCVVRLHG-RAXLEYEMSA-N	414.643	3.987	10	20	HHCD	
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCCSc1nccs1	746020434	VMKFCROCOAGJOX-CHWSQXEVSA-N	415.581	3.502	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@@]2(CCc3ccccc32)C1	753043163	QEPHBXNIMWDWSZ-DEOSSOPVSA-N	423.582	3.623	10	20	HHCD	
C[C@](O)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(C(F)(F)F)c1	754839277	UEXYWYNKMYWWQM-HXUWFJFHSA-N	424.488	3.783	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN(C)C[C@H]3CCN(C(C)=O)C3)c2C)c1	755041637	KATMKRBMWLOZKJ-LJQANCHMSA-N	413.587	3.799	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)c1	756106422	PBSDJHJNEAMIEM-LBPRGKRZSA-N	421.291	3.596	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@H](O)c2cccc(F)c2)cc1	758012150	BSWAUTGLEDMPSG-VXKWHMMOSA-N	400.494	3.523	10	20	HHCD	
CCN1C[C@@H](CN(C)C(=O)NCCCSc2nccs2)Oc2ccccc21	759601127	HSZDVOMPTIMJGE-OAHLLOKOSA-N	406.577	3.554	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1cccc([N+](=O)[O-])c1	759681307	SDVCMSYKZTYBPK-UHFFFAOYSA-N	422.279	3.837	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)c2C)c1	764071861	VKFOFNQKDNFQNX-YADARESESA-N	408.590	3.501	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H]3CCCc4nc(C)sc43)CC2)cc1	764682888	IWFWSDWVQHONQM-HXUWFJFHSA-N	400.592	3.639	10	20	HHCD	
CCS(=O)(=O)Nc1ccc([C@H](C)NC2CCN(c3ccc(OC)cc3)CC2)cc1	765637319	BRKOFEGVBKPELS-KRWDZBQOSA-N	417.575	3.776	10	20	HHCD	
COc1ccc2nc(C)c(C(=O)NCc3cccc(Br)c3O)cc2c1	765754140	RRMCCMWYCYPHII-UHFFFAOYSA-N	401.260	3.950	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCCc4cn(C(C)C)nc43)CC2)cc1F	765917342	FBVFHPSJUQJOJD-LJQANCHMSA-N	415.513	3.521	10	20	HHCD	
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCS[C@@H]2COCC[C@H]21	769346516	UDEMMSOEESVAJF-IEBWSBKVSA-N	404.557	3.930	10	20	HHCD	
CN(Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	773315298	FAFAPLQLVPKLTR-XMMPIXPASA-N	404.558	3.773	10	20	HHCD	
COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1OCC(F)(F)F	774914437	KKDAXWQBNWZJOG-UHFFFAOYSA-N	402.325	3.871	10	20	HHCD	
COc1ncc(/C=C\C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cn1	775846364	VRCTVWFGIRRQJP-NTMALXAHSA-N	424.501	3.503	10	20	HHCD	
CC[C@H](C)n1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C	777947164	OZUHLCFSWMVASH-BHYGNILZSA-N	402.514	3.845	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(OC(C)C)cc1Cl	782106210	FLWBJHTVIFMSOM-UHFFFAOYSA-N	403.910	3.757	10	20	HHCD	
Cc1cc(CC(=O)N2CCOCC3(CCOCC3)C2)c(C)n1-c1ccc(Cl)cc1	784750483	MDELPNAGFJCJLQ-UHFFFAOYSA-N	416.949	3.946	10	20	HHCD	
CCOc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	785755558	RKUHEGKKRILXIT-SFHVURJKSA-N	411.546	3.766	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H](c1cccs1)C1CC1	785793659	YPLSLYNVOATTOP-OAQYLSRUSA-N	411.571	3.964	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c1	787484574	DZPRFCSPCBCOEO-HNNXBMFYSA-N	421.453	3.712	10	20	HHCD	
C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1	790548129	UVKRESQTXUNLHC-CYBMUJFWSA-N	421.856	3.644	10	20	HHCD	
O=C(COC(=O)c1cc(Cl)cc(F)c1Br)c1ccc(O)c(O)c1	792698294	HRUMYIFNWBUEJP-UHFFFAOYSA-N	403.587	3.693	10	20	HHCD	
COc1ccc([C@H](C)[C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC	792920280	UNWMJPZIQFNBKX-IAGOWNOFSA-N	402.510	3.961	10	20	HHCD	
C[C@@H](NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccc(N(C)C)cc1	793560536	CKTGVRHEPRSMEP-GYCJOSAFSA-N	406.530	3.828	10	20	HHCD	
COc1ccc(CNC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c(O)c1	794379890	ZJXIGLMRKHZLPH-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
CC[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C)cc1O	794811904	UNCDHMLKWVFMDC-OAQYLSRUSA-N	402.560	3.842	10	20	HHCD	
Cc1ccc([C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)[C@@H](C)S(C)(=O)=O)cc1	798088115	HPNBSKJSYZHOLV-SJKOYZFVSA-N	412.895	3.526	10	20	HHCD	
Cc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccc(N4CCSCC4)cc3)C2)cc1	800701259	XRGRDDSYSGFCDB-OAQYLSRUSA-N	424.570	3.541	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CN3C(=O)NC4(CCSCC4)C3=O)cc2Cl)C1	804189473	ZGHHPFAHFSCVKR-CQSZACIVSA-N	407.967	3.894	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1	806278059	OIMKCYYEEWBKPE-HRCADAONSA-N	407.605	3.559	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1	806870333	PFWXHAFOSKDWJX-UHFFFAOYSA-N	408.951	3.583	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(c2cccc(Cl)c2)CC1	807411562	MZYPWPYSRNFWAZ-UHFFFAOYSA-N	413.949	3.603	10	20	HHCD	
COc1ccccc1[C@](N)(C(=O)NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	807838732	QKOHPNBFPROLGZ-INIZCTEOSA-N	423.218	3.740	10	20	HHCD	
C[C@H]1[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCN1C(=O)OC(C)(C)C	807840755	JABMJCSPXMHASE-GWCFXTLKSA-N	403.306	3.961	10	20	HHCD	
CCOC(=O)[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCCOC1	809652653	KCRMHPAFOJGZLU-ISKFKSNPSA-N	408.542	3.697	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@](CO)(Cc2ccccc2)C1	813080547	DOXHVIBBJXQSSN-RUZDIDTESA-N	405.542	3.590	10	20	HHCD	
CN(Cc1cc(Cl)c(F)cc1O)[C@H](C(N)=O)c1cccc(Br)c1	816570517	XLGLXOKIKHYQJA-HNNXBMFYSA-N	401.663	3.606	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(Br)c1	915301360	YQQLSWSXIZLCIR-UHFFFAOYSA-N	404.308	3.950	10	20	HHCD	
COC(=O)Cc1csc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1	915314260	ZZNWXSAFMWSMTE-UHFFFAOYSA-N	412.515	3.630	10	20	HHCD	
COc1ccc(F)cc1CN1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	917074741	NXVKTISLUHFEQK-UHFFFAOYSA-N	402.510	3.861	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H](c2nc3ccccc3o2)C1	919791680	DCPWTUNTMFAJPF-IBGZPJMESA-N	420.513	3.754	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1	920250428	FJNFVDKBSFNDSH-OUKQBFOZSA-N	407.514	3.662	10	20	HHCD	
Cc1nc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)oc1C	1123918746	QIKCTXWMDCXSOS-ZROIWOOFSA-N	421.569	3.651	10	20	HHCD	
CC(C)(C)OC(=O)Nc1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1F	1322574413	CDSCMCQCNSFXGB-UHFFFAOYSA-N	405.426	3.948	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C)c3F)n2)cc1	1323626731	PVBAVUZRAKKPIL-UHFFFAOYSA-N	419.503	3.695	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCOc1ccc(F)cc1F	109279206	HGETZDVXIRASKQ-UHFFFAOYSA-N	404.457	3.619	10	20	HHCD	
Cc1c(CNC(=O)c2nnn(-c3cccc4cnccc34)c2C)n(C)c2ccccc12	471244369	QJSBLNRKEWYLKX-UHFFFAOYSA-N	410.481	3.854	10	20	HHCD	
CCOc1ccc(CNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c(O)c1	725851564	UIDGZKCDSJSFFI-FQEVSTJZSA-N	424.463	3.973	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)ccc21	726250491	XIMAEDUEOBENOA-SFHVURJKSA-N	416.566	3.515	10	20	HHCD	
CN(CCCNC(=S)Nc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1	726457563	FLAWNIOSHDGVPW-UHFFFAOYSA-N	424.492	3.792	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2OC)nc1-c1ccccc1	727245305	HDLKSWIBVGLIHQ-UHFFFAOYSA-N	418.496	3.796	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(N2C(=O)CCC2=O)c1	728281857	ZPXUPEMOPGWUMR-UHFFFAOYSA-N	405.498	3.603	10	20	HHCD	
CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2ccc(OC)cc2)CC1	728456367	JPOHCCZWVRBEJG-UHFFFAOYSA-N	420.513	3.632	10	20	HHCD	
COc1ccccc1[C@@H](C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	728603287	TUAYXERHTMIPRB-INIZCTEOSA-N	400.494	3.605	10	20	HHCD	
CCCCCn1nc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c2ccccc2c1=O	729277589	BWGXKLUDGDZGLF-OAHLLOKOSA-N	409.486	3.792	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)cc1	729541383	VOBXYSFKMUXHAX-SFHVURJKSA-N	400.425	3.542	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c1O	729561947	JYHJVXQDKBTOGU-OAHLLOKOSA-N	406.866	3.934	10	20	HHCD	
CNC(=O)CCOc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	729581335	HXPSESQVOOOCHI-UHFFFAOYSA-N	423.469	3.734	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cnc(C(C)(C)C)s3)cc2F)CC1	730193083	DGSXLHZTUDROEX-UHFFFAOYSA-N	404.555	3.652	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCN3C(=O)[C@H](C)Oc4ccccc43)cc2)CC1	731015819	IAIGJIOGNWTZEV-IBGZPJMESA-N	421.541	3.743	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	731857440	BPMLWPNCSQHBBZ-IBGZPJMESA-N	418.534	3.547	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1	733157334	SDUFDNJDPKLTIR-JOCHJYFZSA-N	416.997	3.749	10	20	HHCD	
C[C@@H](Nc1ncccc1I)c1ccc(N2CCOCC2)cc1	740868157	SFVFTMMPAMAVTI-CYBMUJFWSA-N	409.271	3.696	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(N2CCCCCC2)nc1	740907639	NDDKYSPZPMPUSE-UHFFFAOYSA-N	405.546	3.838	10	20	HHCD	
COc1cc(N(C)Cc2cc(Br)c3c(c2)OCO3)cc(OC)c1OC	741799347	ZQZXSMSNBVYYGY-UHFFFAOYSA-N	410.264	3.840	10	20	HHCD	
Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1[N+](=O)[O-]	742798670	BNUGXFZOLHYDHA-CQSZACIVSA-N	405.401	3.903	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2ccccn2)c(C)n1-c1ccc2c(c1)OCCO2	745525212	IMBJTLMWOGQSRA-UHFFFAOYSA-N	420.465	3.619	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)CN(Cc3ccccc3O)C[C@H]3CCCO3)c2C)no1	746760615	YGHHKGVUGYQCJZ-HXUWFJFHSA-N	423.513	3.960	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccc(N2CCOCC2)cc1	748704178	XSPNTMOULXNEIM-QGZVFWFLSA-N	403.482	3.573	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3cccc(F)c3F)cc2F)C[C@@H](C)O1	749794468	NMOBJZIBFVQQPK-GASCZTMLSA-N	406.448	3.967	10	20	HHCD	
CC(C)CO[C@@H](C)c1noc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1	751946013	VPLCENGHHHSVAH-ZDUSSCGKSA-N	416.503	3.790	10	20	HHCD	
COc1ccc([C@@H]2CCCN2C(=O)CN(C)c2ccc(OC)cc2OC)c(OC)c1	752123798	WWODMYFPNBHMHP-IBGZPJMESA-N	414.502	3.521	10	20	HHCD	
C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1	752905935	ARMJSNGMAWCVMU-MRXNPFEDSA-N	412.490	3.727	10	20	HHCD	
CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756542585	BPYBXRUVUWRPKT-KDOFPFPSSA-N	406.523	3.697	10	20	HHCD	
C[C@@H](NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756688047	XRXGDPSEAOZNIR-AUUYWEPGSA-N	405.882	3.678	10	20	HHCD	
C[C@@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)cc(F)c1O	756783996	JSDNINPBUFVRAT-HIFRSBDPSA-N	421.310	3.993	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C(=O)NC2CC2)cc1	757059225	OCXSXOHCYLNOKX-UHFFFAOYSA-N	417.303	3.709	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-c2n[nH]c(C)n2)cc1	757391464	YYVKVNVXVYAJFC-UHFFFAOYSA-N	415.291	3.911	10	20	HHCD	
C[C@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1)c1ccc(N2CCOCC2)cc1	759730219	ISQYWRKLSCFZGA-WWMYMODYSA-N	415.559	3.817	10	20	HHCD	
CC[C@@H](Cc1ccccc1Br)NC(=O)NCc1cccc(OC)c1O	760193035	QWTIACFSZBQXJY-HNNXBMFYSA-N	407.308	3.984	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccn(C)n2)c(C)n1-c1ccccc1Br	760967985	UVWDHMHHJCOGOA-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
CC[C@@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)c1ccc(N(C)C)cc1	765953905	JSYOIYCRMMUOSS-HSZRJFAPSA-N	400.611	3.518	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3c4ccccc4CC[C@H]3n3ccnc3)ccc21	769089653	ZXEOBZKETBWSHY-DNQXCXABSA-N	415.541	3.994	10	20	HHCD	
COc1cccc(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1O	769245786	WYENXJIFEKYWGQ-UHFFFAOYSA-N	412.511	3.834	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)c(OC)c(OC)c1)Cc1cc(Cl)ccc1O	769381404	OBUWFHYUBBPIIB-UHFFFAOYSA-N	414.285	3.891	10	20	HHCD	
Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	771054752	WDNRAYUHBCWCON-QFBILLFUSA-N	404.942	3.591	10	20	HHCD	
CN(C)c1ccc(CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	771060693	YCGBDOVJKKTCGP-HXUWFJFHSA-N	415.965	3.825	10	20	HHCD	
Cc1cc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c(C)n1-c1ccccn1	771655054	MQATTZSTKJGADJ-UHFFFAOYSA-N	407.489	3.838	10	20	HHCD	
COCCN(CCOc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773627543	OODDSKXRVXQMMG-KRWDZBQOSA-N	403.498	3.690	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1Br	774523690	JGSDWLHEMTYFMU-SECBINFHSA-N	411.212	3.867	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C2CC2)cc1	774662955	MIGJYDFBHZUGOK-UHFFFAOYSA-N	420.340	3.867	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)c1ccc(N(C)C)cc1	774726672	VAQJBKNDXBOGEJ-ZDUSSCGKSA-N	408.329	3.596	10	20	HHCD	
COc1cc(O)c(CNC[C@H]2CCN(c3cccc(Br)c3)C2)cc1OC	776056463	QBMTYZYRXHRBKO-CQSZACIVSA-N	421.335	3.788	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCCOc4c(F)cccc43)CC2)cc1	778785282	XSPYLLUNQQEOCC-NRFANRHFSA-N	413.493	3.970	10	20	HHCD	
Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccc(O)c(O)c3)[C@@H]2c2cccs2)cc1	778925167	IHZLIQYIXWCNNE-HTAPYJJXSA-N	422.506	3.878	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(Br)cc(OC)c1O)c1ccc(F)c(C)c1	779179131	TWRFPKBOGAFDJN-INIZCTEOSA-N	412.255	3.615	10	20	HHCD	
CN(C)CCc1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782897005	WMMBQRHZXRUNAJ-UHFFFAOYSA-N	423.557	3.796	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(F)cccc1Br	784025736	JZDPMEHUBMPOMP-UHFFFAOYSA-N	409.255	3.671	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)c3c[nH]c4ccccc34)cc2)CC1	785031944	MDQIHQCKEXOBJM-GOSISDBHSA-N	418.541	3.646	10	20	HHCD	
CN(c1ccc(CNC(=O)Cc2ccccc2S(C)(=O)=O)cc1)C1CCCCC1	785979706	JSIFUGUKJHETQX-UHFFFAOYSA-N	414.571	3.718	10	20	HHCD	
Cc1ccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(-n2cc(Cl)cn2)n1	786818456	YMAIFWHHZLCYID-OAHLLOKOSA-N	412.925	3.856	10	20	HHCD	
COc1cc(OC)cc(N(C)C(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)c1	787385740	WCXZOTGBJVUNMM-UUYOSTAYSA-N	417.465	3.533	10	20	HHCD	
COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(N2CCC(CO)CC2)cc1	787897277	JFCRKFVXIVROQN-UHFFFAOYSA-N	413.474	3.511	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(Nc3cccc(Br)c3)CC1)OCO2	789770678	QIPFQCWVFSDRKR-UHFFFAOYSA-N	405.292	3.960	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(F)c(Br)cc1F	790410737	BRQNGAOBCXBSNT-UHFFFAOYSA-N	408.220	3.632	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1	793607940	GAEYPBOJORQEIY-VXKWHMMOSA-N	410.514	3.557	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)c1	794839273	ZKPWZEOHKJHSBG-OAHLLOKOSA-N	404.507	3.787	10	20	HHCD	
C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1c(O)ccc2cc(Br)ccc12	795689014	GZQDBBHZBDFKGJ-WMLDXEAASA-N	405.336	3.603	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c(O)c1	797624705	YABFKZNDNLWXAH-UHFFFAOYSA-N	405.882	3.856	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC2(c3ccccc3C)CC2)cc1	804355537	AATNHHQHGKLQHI-UHFFFAOYSA-N	407.558	3.648	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](c2ncccc2C)C(C)C)cc1F	804853622	SYDTUVTXPXSJPR-HXUWFJFHSA-N	414.525	3.505	10	20	HHCD	
Cc1cccc(C)c1CCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805019153	CJXHHAMCTPHEKX-UHFFFAOYSA-N	407.558	3.515	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1(c2cccc(F)c2)CC1	807409049	BNECHCFQJVHJEH-UHFFFAOYSA-N	423.532	3.622	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(OCC(F)F)cc1	807513008	OJIYYBJKYORODA-UHFFFAOYSA-N	419.211	3.598	10	20	HHCD	
Cc1nc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1	808525975	JOMBESVUAJZEAN-UHFFFAOYSA-N	423.903	3.739	10	20	HHCD	
CCCN(CC)C[C@@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	811971672	DIORXCMNQUAOBP-MRXNPFEDSA-N	412.525	3.676	10	20	HHCD	
CCN(Cc1ccc(N(C)C)c(C)c1)Cc1nc(O)c2cc(OC)c(OC)cc2n1	815016104	RLOYWDWRTDBGGF-UHFFFAOYSA-N	410.518	3.749	10	20	HHCD	
Cc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(F)cc1[N+](=O)[O-]	820781829	LFOAEMZXVMWSKJ-UHFFFAOYSA-N	421.494	3.853	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1	914728034	AGDVIIKFKUJCNY-FQEVSTJZSA-N	417.509	3.928	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	917906671	GUVVORACEGJRTP-UHFFFAOYSA-N	405.457	3.918	10	20	HHCD	
CN(C)CCOc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	918064508	TXPOKRBYIRUDNV-UHFFFAOYSA-N	410.562	3.567	10	20	HHCD	
CCN(CCNC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(C)c1	918185953	PWOBEKIQFQGAJG-UHFFFAOYSA-N	412.603	3.874	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2C)no1	920887264	CCIVQPODQRIVKN-QGZVFWFLSA-N	408.502	3.718	10	20	HHCD	
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	1652156373	DKLXPYLSZQVWOW-XBVDZOKYSA-N	406.598	3.890	10	20	HHCD	
O=C(Cc1cccc(Br)c1)NCc1ccc(N2CCC(CO)CC2)cc1	725887676	RCQRJQMBNVCCGZ-UHFFFAOYSA-N	417.347	3.517	10	20	HHCD	
CCCCCC(=O)NC1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1	728197925	IVVSKZGQFUOWEF-UHFFFAOYSA-N	424.541	3.990	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1	728946335	AHZDBEZUEXBWQS-CQSZACIVSA-N	419.472	3.704	10	20	HHCD	
CCC(CC)C(=O)N1CCC(NC(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1	731363356	FHEDAILTQGGPGR-UHFFFAOYSA-N	420.573	3.898	10	20	HHCD	
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731403961	CBHDPFONMMLGGT-PKOBYXMFSA-N	420.573	3.898	10	20	HHCD	
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	732632138	MSMHWRYVKFILJB-HSZRJFAPSA-N	407.558	3.771	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1	734061133	RMFQTEXTVUPALA-UHFFFAOYSA-N	419.481	3.928	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1	735696484	JNCSRTBGGCZOAR-QHCPKHFHSA-N	408.498	3.883	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c1C	740610214	UBWQZROTWJLAEH-UHFFFAOYSA-N	402.516	3.819	10	20	HHCD	
O=C(C[C@H]1OC(=O)c2ccccc21)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742804980	DFDXHSLNPMOCCC-IFXJQAMLSA-N	416.424	3.675	10	20	HHCD	
O=C(Nc1nnc(C2CC2)s1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743069843	AQYJGPNBQMMZTA-GFCCVEGCSA-N	409.462	3.807	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CSC[C@H]1CCCCO1	743807171	BRNMBZYCHOPMQF-OAHLLOKOSA-N	402.354	3.806	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CC[S@](C)=O)c(C)n1-c1cccc(Br)c1	746002468	BQSYPGVXVRCHDU-YYUOZPCZSA-N	411.365	3.744	10	20	HHCD	
COc1ccc(-c2noc(CCCC(=O)NCc3ccc(N(C)C)c(F)c3)n2)cc1	746805267	NORDPGWUMHVCEM-UHFFFAOYSA-N	412.465	3.589	10	20	HHCD	
Cc1cc(C(=O)NCC(=O)NC2CCCC2)c(C)n1-c1ccc(Br)cc1	746845455	NENZCEICRSVJFD-UHFFFAOYSA-N	418.335	3.645	10	20	HHCD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1	747805389	DSURIEDCRUGCGV-QFIPXVFZSA-N	421.607	3.797	10	20	HHCD	
COC(=O)CN(Cc1nc(Cc2ccccc2C)no1)Cc1cc(Cl)ccc1O	750826728	WXBGAVWMWIDHFD-UHFFFAOYSA-N	415.877	3.503	10	20	HHCD	
Cc1ccc2c(c1)N(C(=O)c1cc(NS(=O)(=O)c3cccs3)ccc1O)CC2	751060347	KEVPBUSXIZRXCV-UHFFFAOYSA-N	414.508	3.766	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cccc2cccnc12	751463812	ACRZYEIMXGYDJJ-UHFFFAOYSA-N	421.316	3.914	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc(C(C)=O)cc1	751468438	WDNHLPSWNPUVOK-UHFFFAOYSA-N	412.305	3.568	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c(C)n1-c1ccc(F)cc1	753709545	INWHVAYNGVQSEE-UHFFFAOYSA-N	418.534	3.807	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@H](C)COCc3ccccc3)CC2)cc1F	753861410	JDVZZXQTZOGZRW-SFHVURJKSA-N	415.509	3.519	10	20	HHCD	
CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756543723	IAKAPRCHXRSDRC-HOTGVXAUSA-N	416.497	3.993	10	20	HHCD	
C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	756590512	NSHZJJSSYYTOCM-GJZGRUSLSA-N	409.361	3.955	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	763399540	XRNQCBZBGIZLLU-IBGZPJMESA-N	401.551	3.748	10	20	HHCD	
CO[C@H](CNC(=O)NCc1cccc(Br)c1O)c1ccccc1Cl	764795829	ATAIGGUDKIINTJ-OAHLLOKOSA-N	413.699	3.995	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCCN(c2cccc(F)c2)C1	765498089	INXPYRVDHWYXPJ-HNNXBMFYSA-N	422.298	3.762	10	20	HHCD	
C[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCOCC2)cc1Cl	765582831	HIJGUNWEHUHFFD-AWEZNQCLSA-N	405.892	3.854	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3nc4c(s3)CCCC4)CC2)cc1	765762459	NGXPTQNRZSASJQ-UHFFFAOYSA-N	414.575	3.541	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)cc1	766355992	ITADBVFHDGOHDZ-ZWKOTPCHSA-N	404.432	3.955	10	20	HHCD	
Cc1noc(-c2ccccc2C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)n1	767936041	MRIBTWINHZWQDC-UHFFFAOYSA-N	405.502	3.828	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCN2CCC(O)CC2)cc1	772697507	NGKRYKSOPGWBCS-UHFFFAOYSA-N	409.534	3.745	10	20	HHCD	
C[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccc(N(C)C)cc1	773021008	QJVJZIIYMUSTCS-CYBMUJFWSA-N	419.319	3.706	10	20	HHCD	
COc1ccc(N2CCC(NCCCOc3cc(OC)cc(OC)c3)CC2)cc1	773040998	FCAZYAIUPZFWKT-UHFFFAOYSA-N	400.519	3.740	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2)CC1	773856487	ISCXMHKEJHOIDO-SFHVURJKSA-N	408.546	3.805	10	20	HHCD	
CC[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc(Br)ccc1O	775491313	IBBHQGTWAYMZGS-QGZVFWFLSA-N	412.349	3.940	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	775726939	BXNJHQVXBULJDY-VXKWHMMOSA-N	411.571	3.994	10	20	HHCD	
COC(=O)c1ccc(COc2ccc(CNCc3ccc4c(c3)CCO4)cc2OC)o1	775954521	WCCLQUDYKCJAMC-UHFFFAOYSA-N	423.465	3.879	10	20	HHCD	
CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cc(Cl)cc(F)c1O	776097553	KZJFAFLWWBXHIV-UHFFFAOYSA-N	400.903	3.551	10	20	HHCD	
O=C(NC[C@@H]1COC2(CCCCCC2)O1)N(Cc1ccccc1O)C[C@@H]1CCCO1	777764697	SNXLSBGKSVZVSJ-VQTJNVASSA-N	418.534	3.549	10	20	HHCD	
CC[C@H](C)n1c(SCC(=O)NCc2ccc(O)c(O)c2)nnc1-c1ccccc1	778924570	ACBYFRKBSJFBQQ-AWEZNQCLSA-N	412.515	3.736	10	20	HHCD	
COc1ccc(N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)cc1Cl	780778739	QTRSSRSJBYMKMX-ZDUSSCGKSA-N	418.346	3.503	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1	782781464	RJSFLIVDBHZWDC-UHFFFAOYSA-N	404.536	3.567	10	20	HHCD	
C[C@H](CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1nccs1	784586730	YLCURUQVIVSYPJ-CQSZACIVSA-N	419.506	3.593	10	20	HHCD	
Cc1nc2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)ccc2n1Cc1ccsc1	784897835	WFYYWYYCQYRSTD-UHFFFAOYSA-N	422.462	3.905	10	20	HHCD	
CN1CCN(c2ccc(CNCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)CC1	785520891	CYJXKZPZHIQICJ-UHFFFAOYSA-N	408.424	3.655	10	20	HHCD	
COc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1S(=O)(=O)N1CCCCC1	796390814	AXBKDAMXAJQALV-UHFFFAOYSA-N	421.538	3.687	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@H]2CCN3CCC[C@H]3C2)NC(=O)OC(C)(C)C)cc1	798269924	FNXHSRGNWVRCIQ-JBACZVJFSA-N	402.583	3.535	10	20	HHCD	
O=S(=O)(Nc1cccc2oc(C(F)(F)F)nc12)c1cccc2nsnc12	799185247	IQIAYVJDXWVJBE-UHFFFAOYSA-N	400.363	3.652	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3cn(Cc4ccccn4)nn3)cc2Cl)C1	800048059	VHDIHTUBCMBPDI-INIZCTEOSA-N	424.936	3.541	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1	801639280	KZQWXPSDAFPTCF-UHFFFAOYSA-N	402.495	3.721	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O	802224596	RKGJJZPUBAVTCI-QFIPXVFZSA-N	423.557	3.938	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccn(-c2ccccc2Cl)n1	804244315	AEKRWICSOBYRHC-UHFFFAOYSA-N	417.252	3.854	10	20	HHCD	
CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccccc3O)sc2C1	806880333	QWMIWOZGZNTBHE-CQSZACIVSA-N	401.532	3.645	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccc(N(C)C)cc1	807676627	HWEHMYKLRKLQEO-ZDUSSCGKSA-N	408.329	3.895	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCCCOc1ccc2ccccc2c1)c1ccc(N(C)C)cc1	807678696	YHJVDQCPVFUVIK-GOSISDBHSA-N	419.525	3.668	10	20	HHCD	
Cc1ccc(NCc2cc(Br)cc(C)c2O)cc1S(=O)(=O)N(C)C	809679779	GZUAJAGTAFPQOG-UHFFFAOYSA-N	413.337	3.634	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)[C@@H]3OCCc4sccc43)CC2)cc1	814107770	SVMZPRLCBSGVKQ-IERDGZPVSA-N	400.544	3.746	10	20	HHCD	
CC(C)c1nnc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1	823653901	HAJGNAPVNFXLDQ-UHFFFAOYSA-N	422.422	3.597	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ncc(C(=O)N(C)C)cc3Cl)cc2F)C[C@@H](C)O1	917523544	DXZHAJMIMIPFHN-OKILXGFUSA-N	420.916	3.802	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cc3c(Cl)cccc3Cl)cc2)C1	917834141	WBSGOFXJYNVYMG-OAHLLOKOSA-N	420.340	3.554	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCSc2ccc(F)cc21	918199760	CRHCIHWVXFOHMJ-GOSISDBHSA-N	419.497	3.838	10	20	HHCD	
NC(=O)NC1CCC(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	920601922	XKKREMVRTQMPGF-UHFFFAOYSA-N	423.473	3.811	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(Cl)ccc1F	920868945	GJWZYWUSASPGAB-CABCVRRESA-N	405.901	3.994	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2nn(-c3ccccc3F)cc2Br)cc1	1317844197	VHOFWJVKNIMPIX-UHFFFAOYSA-N	417.282	3.770	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(O)(Cc2ccccc2F)CC1	1326674458	PCXBSISRHNQFMN-UHFFFAOYSA-N	411.521	3.705	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1COc2ccc(F)cc2C1	1328595284	RKAPCKAFAQBZEH-WBVHZDCISA-N	420.431	3.763	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CCCc1c[nH]c2ccccc12	7894037	DUZDIDQHCYHTAY-UHFFFAOYSA-N	407.514	3.758	10	20	HHCD	
Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[nH]c2c1C(=O)CC(C)(C)C2	24192815	JSCUUQJXPLOHND-UHFFFAOYSA-N	409.530	3.587	10	20	HHCD	
COc1ccc(N2CCCN([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)cc1	226810863	PRNVGGMYKLSLPL-XMMPIXPASA-N	407.558	3.961	10	20	HHCD	
Cc1cc(-c2nc(-c3cnc4ccccn34)no2)ccc1NC(=O)C1=S=CC=C1	445581183	ZGNAEWLIMAFDDU-UHFFFAOYSA-N	401.451	3.576	10	20	HHCD	
CCOC(=O)[C@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)Cc2ccccc21	472240274	NPVMTLGZOXOJBU-FQEVSTJZSA-N	405.498	3.859	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(CC(F)(F)F)CC3)ccc21	501254808	VQMDRWGPSLDGGO-UHFFFAOYSA-N	411.468	3.661	10	20	HHCD	
CN(Cc1cccc(O)c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726721857	JVDRFODIMXJDCP-UHFFFAOYSA-N	405.445	3.804	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2ccccc2Cl)cc1	727360960	FIGLOXMGGFEPIV-QBFSEMIESA-N	414.936	3.904	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1nc(C(C)(C)C)cs1	729508316	WXCQGZLDEKSWLV-UHFFFAOYSA-N	402.564	3.619	10	20	HHCD	
CCOC(=O)Cc1csc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1	731041851	AERRXLVCBPSRAB-UHFFFAOYSA-N	416.547	3.807	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1	734064882	NSTVABFGSJSGMH-LJQANCHMSA-N	403.910	3.691	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@H](O)c3c(F)cccc3F)cc2)CC1	740915816	UAFJIBRUORREHT-FQEVSTJZSA-N	403.473	3.734	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c([N+](=O)[O-])c1	741136161	HJHXAUOBPBZXKR-UHFFFAOYSA-N	405.476	3.785	10	20	HHCD	
COCCOC[C@@H]1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	742829816	BDWNOVTVNFDDRS-GOSISDBHSA-N	404.938	3.802	10	20	HHCD	
CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1C	743046093	OXBMDHIUVBXORL-UHFFFAOYSA-N	406.533	3.761	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	743544273	TVCBOBXBIUKMLS-HSZRJFAPSA-N	408.498	3.993	10	20	HHCD	
COc1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc2n1	743564539	NLHGKOLGMSOEIL-KRWDZBQOSA-N	420.513	3.640	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C12CCCC2	743703030	RRQXAUUQIWLPSL-NHCUHLMSSA-N	401.551	3.701	10	20	HHCD	
Cc1nc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)sc1C	743711547	QGJQWCWQBNOLPJ-CQSZACIVSA-N	410.490	3.830	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(Cc2cccs2)nn1	743809509	VJKQITBUVLLHTF-UHFFFAOYSA-N	421.320	3.518	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(C)[C@H](C)c3cccnc3)cc2F)C[C@@H](C)O1	744280321	JNJYBXADHSOZAE-BRWVUGGUSA-N	400.498	3.737	10	20	HHCD	
COc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1OC	746738542	YWMWJBYJSCAGLL-INIZCTEOSA-N	408.454	3.935	10	20	HHCD	
O=C1NCCN(Cc2c(O)ccc3cc(Br)ccc23)[C@H]1c1ccccc1	748793692	CYEJQPYLGBADGB-FQEVSTJZSA-N	411.299	3.981	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1OC	748934902	ZSZSABCOKHSAGF-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(O[C@@H]2CCOC2)CC1	748985363	FPPOUKCXZHSEDG-OAQYLSRUSA-N	422.485	3.837	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccnc(Oc2ccccc2)c1	749288770	JNIBZKOYHJIXTG-UHFFFAOYSA-N	419.481	3.755	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(OC2CCCC2)CC1	749416230	PIOXJBRSCIWTEZ-UHFFFAOYSA-N	403.592	3.873	10	20	HHCD	
CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	750310802	HDNMZMGNVOZRPF-FQEVSTJZSA-N	410.474	3.695	10	20	HHCD	
CO[C@@H]1C[C@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1(C)C	753261210	NIIIBYIQYKSNCO-ZKHYDWRDSA-N	424.613	3.659	10	20	HHCD	
O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCc1ccc(N2CCOCC2)cc1	753802455	NYECLQCZYQQBBA-UHFFFAOYSA-N	411.502	3.645	10	20	HHCD	
C[C@@H](NC[C@H](CO)Cc1ccc(F)cc1)c1cc(Br)c(F)cc1O	756459952	QKEBTASFVDWXNG-DGCLKSJQSA-N	400.263	3.935	10	20	HHCD	
CC(C)N1CC[C@H](N[C@@H](C)c2cc(Br)cc(Br)c2O)C1=O	756710124	UZVQXQQQOAIBGL-ZANVPECISA-N	420.145	3.577	10	20	HHCD	
C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756832504	GMSVSNWGFCRDJP-JTSKRJEESA-N	419.481	3.879	10	20	HHCD	
COc1cc2c(cc1CN[C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)OCO2	759159377	VMAZSRNWTBXMMT-OAHLLOKOSA-N	406.429	3.784	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)CC(=O)c3ccc(Cl)cc3)CC2)cc1	759357204	KWCAXVIMPLVSCW-INIZCTEOSA-N	400.906	3.906	10	20	HHCD	
Cc1cc(C(=O)NCCSCCCO)c(C)n1-c1cccc(Br)c1	761750789	UKBWTJXEDWPKLD-UHFFFAOYSA-N	411.365	3.702	10	20	HHCD	
Cc1c(O)nc(SCC(=O)NCc2ccc(N(C)C)cc2)nc1-c1ccccc1	763178741	RZIDNTCXXSVAGI-UHFFFAOYSA-N	408.527	3.632	10	20	HHCD	
C[C@@H]1CN(c2ccc(NC(=O)NCc3cccc(Br)c3O)cc2)CCO1	765295878	VOFMFTHYLRZREZ-CYBMUJFWSA-N	420.307	3.702	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCCc2cccnc21	766421501	WYHOQDYGSFZDAI-SFHVURJKSA-N	419.447	3.673	10	20	HHCD	
NC(=O)CCC1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	768128322	OKBVWHOSOXYCBS-UHFFFAOYSA-N	407.474	3.545	10	20	HHCD	
Oc1cc2c(cc1CN(Cc1cc(Br)ccc1F)C1CC1)[C@H](O)CO2	768439378	GSZIBUFPMOHHMQ-GOSISDBHSA-N	408.267	3.884	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN[C@@H](C)[C@H]2CCOC2)sc(C)c1-c1ccccc1	771812252	LMQYEYNBKMWXLP-YOEHRIQHSA-N	416.543	3.853	10	20	HHCD	
C[C@@H]1C[C@@H](CCNCc2ccc(N3CCN(C)CC3)cc2)CN1Cc1ccccc1	771857841	DKEKRRXLXUDRFI-RCZVLFRGSA-N	406.618	3.829	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	772176007	HSGORXXGZOICEE-UHFFFAOYSA-N	405.401	3.903	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(c3cnccn3)CC2)cc1	772635668	FWFHRJBRKDITIO-UHFFFAOYSA-N	415.501	3.920	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ccccc12	773083942	MPOLRGKMYHGEAL-OAHLLOKOSA-N	411.527	3.904	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1	773742344	SYYHKTYBVMWBAF-NSHDSACASA-N	406.269	3.951	10	20	HHCD	
COC1(CO)CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1	773944111	FQQPBCBLEMMBKY-UHFFFAOYSA-N	424.463	3.769	10	20	HHCD	
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773993940	LLNKXBKPMMDUCI-NEPJUHHUSA-N	424.364	3.572	10	20	HHCD	
CC[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)c(Cl)c1O	775488989	LMFKECYZQCFOHN-YJBOKZPZSA-N	405.391	3.948	10	20	HHCD	
COc1ncc(/C=C/C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cn1	775863146	KUULKNZPERYAAS-ZHACJKMWSA-N	410.474	3.677	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(C(F)(F)F)cc1	777827396	AFMJXVWTVVCVCF-UHFFFAOYSA-N	401.768	3.880	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C(C)(C)CO)CC2)cc1	778942486	IFDCYCIIHUYGRA-UHFFFAOYSA-N	409.534	3.697	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)cc1	783394058	RZNLJVYKCGCTHU-UHFFFAOYSA-N	413.522	3.942	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1	784559890	JELCICURVZBNGH-QGZVFWFLSA-N	406.482	3.705	10	20	HHCD	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785426410	YCJVHKVGJAULGL-AWEZNQCLSA-N	407.436	3.607	10	20	HHCD	
Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C(=O)N1CCCCC1	785548797	UQXRLSJUWQEMHT-UHFFFAOYSA-N	406.574	3.985	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C2CC2)cc1	785822356	VXDMYIIIQBZRRI-HSZRJFAPSA-N	405.542	3.820	10	20	HHCD	
OCCN(Cc1cc(Br)cc(Br)c1O)c1ccccc1	789573204	ZJTRHXMCJQFMSO-UHFFFAOYSA-N	401.098	3.916	10	20	HHCD	
CCOCCOc1c(Cl)cccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	789836501	VFPGJZKCGQUQBJ-CYBMUJFWSA-N	408.882	3.919	10	20	HHCD	
CCOc1cccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	800026829	FWBZLVFVLONSCP-UHFFFAOYSA-N	405.457	3.918	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCC[C@@H](C(C)C)CC3)CC2)cc1	804318131	AJQCXABCHZAWPM-MOPGFXCFSA-N	415.578	3.501	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c(OC)c1OC	804924487	QNVTWEZLRKZAKC-UHFFFAOYSA-N	415.273	3.724	10	20	HHCD	
Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	807287635	LMNFKIYNEUHBCD-RPWUZVMVSA-N	417.553	3.782	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC[C@@H](C2CC2)C1	808239508	WVSGSWUXKBWKLC-QGZVFWFLSA-N	411.468	3.874	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1O	808677969	HGZSCYBXFRYARH-NVXWUHKLSA-N	401.938	3.907	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H](C)c3cccc(Br)c3)CC2)cc1	812446322	YJCAZCXILVSFFP-OAHLLOKOSA-N	403.320	3.910	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)c1	814449316	JRTHPMCYLUORGI-LSDHHAIUSA-N	413.474	3.869	10	20	HHCD	
CN1CCN(Cc2ccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1	916842287	YQDJXDLVOMDTSL-UHFFFAOYSA-N	423.561	3.945	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2cccc(F)c2)C(C)C)c1	919953637	MVQBKOXGZDBFAP-UHFFFAOYSA-N	414.521	3.977	10	20	HHCD	
Cc1cc(C(=O)CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)s1	919968943	RPSGVCQLASDOLP-UHFFFAOYSA-N	414.571	3.853	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)CCC(F)(F)F)c([N+](=O)[O-])c1Br	1116473603	PEZIMAKFROBRKL-UHFFFAOYSA-N	402.123	3.663	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccc(OC)cc4)n3)CC2)cc1	1341617276	CFHIKCOLBGTXDH-UHFFFAOYSA-N	420.513	3.550	10	20	HHCD	
CCCCOc1ncccc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	140918269	GJQRSTFPDWHJSD-SFHVURJKSA-N	412.534	3.658	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cnc(-c2ccccc2)nc1	303043774	QJHZGUWCSQMDHA-UHFFFAOYSA-N	403.486	3.644	10	20	HHCD	
Cc1csc(-c2cccc(S(=O)(=O)N3CCOc4cc(N(C)C)ccc43)c2)n1	410140484	AORNETNGIOVLRI-UHFFFAOYSA-N	415.540	3.772	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(CN(C)C)cc2)C1	443917130	QIZGGCZQMLXFKJ-UHFFFAOYSA-N	418.585	3.786	10	20	HHCD	
CNC(=O)CCOc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1	517836365	KEFUWDKWRAVLNO-UHFFFAOYSA-N	423.513	3.672	10	20	HHCD	
COc1ccc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)c(OC)c1	726248733	AIVWANFTTXZRPL-UHFFFAOYSA-N	410.470	3.957	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ncn(Cc2ccccc2)n1	726699767	SXZNMRHCRJXAFM-UHFFFAOYSA-N	404.518	3.981	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c(O)c1O	727006002	ZCZVYLNOIRVAIY-NRFANRHFSA-N	423.440	3.950	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1c(Cl)nc2sccn12	727757193	JSVYSPYZPKIFBG-UHFFFAOYSA-N	424.979	3.860	10	20	HHCD	
COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(CCc2cccnc2)C1=O	727863525	DANIBVJRXUXLTD-VCHYOVAHSA-N	416.524	3.551	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2CN2CCSCC2)c1	729039335	LZLQTYDOESBMME-HNNXBMFYSA-N	401.532	3.832	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCCc3ccc(Cl)s3)cc2F)CC1	730118035	DSQIEFKBWGYMSY-UHFFFAOYSA-N	424.973	3.724	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)COc3cc(C)ccc3Cl)cc2F)CC1	730193195	YXLLMGFHLCQFCN-UHFFFAOYSA-N	419.928	3.625	10	20	HHCD	
COc1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731131466	JMOGQCNUCIEHSK-UHFFFAOYSA-N	415.921	3.840	10	20	HHCD	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCCSc3nccs3)n2)n1	733975136	WOJKZQOQDWMFNG-UHFFFAOYSA-N	407.952	3.906	10	20	HHCD	
CCN(CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)C(=O)OC(C)(C)C	734321373	NGZBYBXJVICHGR-UHFFFAOYSA-N	417.472	3.901	10	20	HHCD	
COc1ccc([C@H]2[C@H](C(=O)NCc3ccc(N4CCCC4)cc3)CCC(=O)N2C)cc1	734422380	UQYDQMBLZFNWLI-VWNXMTODSA-N	421.541	3.521	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1	734688337	MMWYRFVGEMPSFD-UHFFFAOYSA-N	412.509	3.760	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1	734693269	FJDHNGZCYVMUIO-UHFFFAOYSA-N	413.433	3.988	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1	734865082	MLUXWSOVEMFXGU-YLJYHZDGSA-N	401.457	3.751	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](Cc3ccccc3)C3CC3)cc2F)CC1	736668543	WKTQWRIPXAOLQZ-QHCPKHFHSA-N	424.564	3.788	10	20	HHCD	
O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCc1ccc(N2CCCCC2)cc1	740820155	UAQOGCUFIGQDFX-UHFFFAOYSA-N	422.497	3.532	10	20	HHCD	
C[C@@H](NC(=O)NCc1nc(C(F)(F)F)cs1)c1ccc(N2CCOCC2)cc1	740909439	CXWDOLFNHGDCIV-GFCCVEGCSA-N	414.453	3.559	10	20	HHCD	
Cc1cc(C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)c(C)n1-c1ccccn1	742924148	SGTKZBIVWCYKJI-UHFFFAOYSA-N	401.426	3.860	10	20	HHCD	
C[C@H]1CN(c2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cn2)C[C@H](C)O1	743429934	BVIGVSSYYSICMG-ROUUACIJSA-N	421.497	3.836	10	20	HHCD	
Cc1cc(C)cc(C[C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	743671043	YIZKQHLPYFRKRI-SFHVURJKSA-N	413.537	3.834	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	743717313	LXZDJAGTIKQPND-GOSISDBHSA-N	410.489	3.579	10	20	HHCD	
CS(=O)(=O)c1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	745559043	UCSBBLFTCZWYSP-UHFFFAOYSA-N	416.543	3.840	10	20	HHCD	
COC[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccco1	746761316	LOCBVYYDTBWNMC-QGZVFWFLSA-N	409.433	3.537	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC[C@H](C)N(C)Cc3ccccc3)CC2)cc1	746763027	ZSUWDYFMPREOFV-FQEVSTJZSA-N	424.589	3.874	10	20	HHCD	
CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	750287504	RRTDAUPEXNTZMH-FXEKFNFISA-N	405.608	3.802	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1F	753149915	OCERXPPGUPYLRK-JOCHJYFZSA-N	422.545	3.728	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)cc(C(F)(F)F)c1	755424189	YWXYPNQPNSPZFZ-UHFFFAOYSA-N	414.374	3.875	10	20	HHCD	
COC(=O)c1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1Br	755506967	IHXDQHBVSXYCKI-UHFFFAOYSA-N	420.307	3.932	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCN(c4ncccc4F)C3)c2C)cc1	755579026	SKYOXAQMDRFPPS-QGZVFWFLSA-N	408.477	3.646	10	20	HHCD	
CN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccc2c(c1)OCO2	756655796	YOUKKKHHTKNELJ-UHFFFAOYSA-N	402.497	3.579	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(Br)ccc1O	757637631	INVZGRLDWQTBPP-KBXCAEBGSA-N	405.336	3.572	10	20	HHCD	
Cc1ccc(NC(=O)Cc2nc(COC(=O)/C=C\c3ccc(O)c(O)c3)cs2)cc1	759596956	XIMZEDKCTAIRLA-UITAMQMPSA-N	424.478	3.801	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3CCO[C@H]([C@H]4CCOC4)C3)ccc21	763091418	CJNCIHAPSLWMNH-JQVVWYNYSA-N	401.503	3.645	10	20	HHCD	
COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	764616300	NEBRYLQECUFLRY-HNNXBMFYSA-N	404.482	3.539	10	20	HHCD	
CC(C)C(=O)Nc1ccc(CNC(=O)NCc2cccc(Br)c2O)cc1	764763494	MPEZBTRZGCGMHE-UHFFFAOYSA-N	420.307	3.749	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2Cl)cc1	765647979	LFINCTJYIYFUKZ-UHFFFAOYSA-N	416.952	3.991	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	765737691	VRAPTYLGZUNWCQ-MRXNPFEDSA-N	421.310	3.822	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1Br	765976930	CNJDYEICFIDLPC-HNNXBMFYSA-N	423.376	3.535	10	20	HHCD	
Cc1ccc(CNC(=O)C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)cc1	769191850	PUBJUEJGDSGVER-UHFFFAOYSA-N	417.893	3.791	10	20	HHCD	
CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769208413	XQRLSMMWRHWLKI-IBGZPJMESA-N	402.539	3.713	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(OCc2ccncc2)cc1	771988024	WFUPWEVIGDUHIC-UHFFFAOYSA-N	423.856	3.988	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	772409857	UCBGTSTZAHCDLB-MRXNPFEDSA-N	403.866	3.657	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](COC)c3ccc(F)c(F)c3)cc2F)CC1	775385601	LZPBLOIHDMDNGA-NRFANRHFSA-N	407.480	3.723	10	20	HHCD	
CC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1O	775486798	HVQPVTVOMGOBTK-HNNXBMFYSA-N	403.331	3.630	10	20	HHCD	
CC[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(Cl)c(Cl)c1O	775489352	NOCXNXRVGNFERD-MRXNPFEDSA-N	417.358	3.859	10	20	HHCD	
CC[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)ccc1O	775551275	LPMVWFFKGWXSOG-QZTJIDSGSA-N	418.335	3.782	10	20	HHCD	
Cc1nc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Br	775779413	AIFOHIQSUWSYQN-ZDUSSCGKSA-N	419.323	3.872	10	20	HHCD	
CCS(=O)(=O)c1c(Cl)cccc1CN(C)c1ccc(OCCN(C)C)cc1	775979974	ZFZUOLXDFDKTEK-UHFFFAOYSA-N	410.967	3.710	10	20	HHCD	
CSc1ccc(C)c(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	776028035	LDNZRSRNLDCJPR-KRWDZBQOSA-N	412.559	3.740	10	20	HHCD	
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c1	782260341	CXUCFAGCOQHOLV-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
CCCCn1nccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1	783487155	VBXAPRQBQYTOMN-KRWDZBQOSA-N	405.502	3.998	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(OC4CCCC4)cc3)cc2)CC1	786263536	YPTLSHAVYVSMAP-UHFFFAOYSA-N	421.541	3.607	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CCCc3occc32)cc1)C1CCCCC1	788610861	MOFKPZGJFBCKNY-OAQYLSRUSA-N	409.530	3.859	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc(O[C@H]4CCOC4)cc3)c2)CC1	788762986	WNGXKLCDCLLILG-QHCPKHFHSA-N	409.530	3.637	10	20	HHCD	
CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O	789984412	PUTATJZIRGYNQV-CZUORRHYSA-N	411.340	3.588	10	20	HHCD	
COC(=O)CCN(Cc1cccc(Br)c1)Cc1cc(OC)ccc1O	792186459	OAGSITYICFHDLJ-UHFFFAOYSA-N	408.292	3.729	10	20	HHCD	
COC(=O)c1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)c(Br)c1	793587530	QVKBOVFJMDBRFW-UHFFFAOYSA-N	424.291	3.898	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C[C@H](C)S1(=O)=O	794162193	QRUNQPFOFCMICG-HOTGVXAUSA-N	414.531	3.816	10	20	HHCD	
CC(C)[C@@H](CNCc1ccc2c(c1)CCN2Cc1ccccc1)N1CCN(C)CC1	796263688	CPRJLNCTRLCYHG-AREMUKBSSA-N	406.618	3.611	10	20	HHCD	
Cc1cc(C(=O)NCC2([S@@](C)=O)CCC2)c(C)n1-c1ccccc1Br	798102527	VRYXHFHLAPBXJG-RUZDIDTESA-N	423.376	3.888	10	20	HHCD	
C[C@H](NC(=O)c1cn2cc(Cl)cc(Cl)c2n1)c1ccc(N2CCOCC2)cc1	799320469	BAEOHECONYFINL-ZDUSSCGKSA-N	419.312	3.969	10	20	HHCD	
CCCCC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C	806321413	DZFJPQGBJAMAJG-NRFANRHFSA-N	417.594	3.593	10	20	HHCD	
COc1cc(CN[C@H](C)c2cc(Cl)cc(C)c2O)ccc1OCC(=O)N(C)C	808681881	KGTRUHUHRQWAOA-CQSZACIVSA-N	406.910	3.680	10	20	HHCD	
Oc1c(Br)cccc1CNCc1nc2ccccn2c1Br	809654444	DFCRRELBJKXSLF-UHFFFAOYSA-N	411.097	3.855	10	20	HHCD	
COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1	811705017	NJVBYWBXEBISBN-UHFFFAOYSA-N	413.879	3.558	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCCc4occc4C3)cc2F)C[C@@H](C)O1	812010689	ZKMZMFGCTDROTH-IYBDPMFKSA-N	401.482	3.690	10	20	HHCD	
COC(=O)c1cc(Br)cc(C(=O)NCc2ccc(N3CCCC3)cc2)c1	812467576	UMDYTPSDPYEDJA-UHFFFAOYSA-N	417.303	3.766	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@]4(CCN(C)C4)C3)cc2Cl)C1	813744706	SROPUQHUYMGSTG-VGOFRKELSA-N	404.986	3.814	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCC[C@]1(O)C[C@H]2CC[C@H]1C2	813789276	OGKURFNMIUCZTQ-RFUYNDQBSA-N	411.340	3.627	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1	813844954	IGWRWTWPOGNOGV-LZCIBIBXSA-N	409.360	3.610	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1OCCc2sccc21	813869766	LJIWEULARIVWQR-HZUJVAHNSA-N	416.543	3.847	10	20	HHCD	
Cc1cccc(-c2nnc(S)n2CCC(=O)NCc2ccc(N3CCCC3)cc2)c1	915083775	PUDRRZIYINFXIN-UHFFFAOYSA-N	421.570	3.849	10	20	HHCD	
O=C(NC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1)c1ccc(F)cc1	916587106	ZMGXUMWRHWOHSW-UHFFFAOYSA-N	424.520	3.530	10	20	HHCD	
Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCSCC4)cc3)c12	917386626	IIIOLEWDUKHJBC-UHFFFAOYSA-N	408.527	3.892	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)Cc3cccs3)cc2F)C[C@H](C)O1	918207510	DQQNLMLPOAXCJH-PMPSAXMXSA-N	405.539	3.931	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1	918303866	LVNICNIWOYPIBI-UHFFFAOYSA-N	406.486	3.758	10	20	HHCD	
Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919968500	BAYUFIRBLPOHDW-UHFFFAOYSA-N	407.436	3.548	10	20	HHCD	
C[C@H]1CCC[C@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	920010038	PJOZUUKOCRIGLV-KBPBESRZSA-N	406.438	3.926	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1	920047000	DHHAFBPSBOTAFR-HNNXBMFYSA-N	418.335	3.823	10	20	HHCD	
CCOCCOc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	920351264	XSQKMPBYBUIUQQ-UHFFFAOYSA-N	418.559	3.521	10	20	HHCD	
O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c(Cl)ccc2nonc12	1117547529	KKNKBYNTYICYGN-UHFFFAOYSA-N	411.599	3.728	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3Cc3ccncc3)cc2)CC1	1318408463	LRQSVHLOURDALS-XMMPIXPASA-N	406.574	3.989	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN(c3cccnn3)CC2)c1	1320883026	ZRFSSDUGRLRZCP-UHFFFAOYSA-N	409.921	3.936	10	20	HHCD	
O=S(=O)(c1ccccc1Cl)N1CCN(Cc2c(O)ccc3ccccc23)CC1	24104719	FGHCBZUGVYEQBT-UHFFFAOYSA-N	416.930	3.705	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(-c2cccs2)n[nH]c1=S	115344113	NPDLQKBASPVHRO-UHFFFAOYSA-N	401.561	3.784	10	20	HHCD	
COc1ccc(N2CCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2)cc1F	301580803	SNIOZIFYTNYJEQ-UHFFFAOYSA-N	405.477	3.502	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1nc2ccc(F)cc2s1	302832372	HSNALLRATNIFKA-MRXNPFEDSA-N	415.490	3.761	10	20	HHCD	
Cc1c(Br)cccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	327387909	QPLHUBXXOWAFSF-UHFFFAOYSA-N	407.283	3.663	10	20	HHCD	
Cc1[nH]c2ccccc2c1C1=CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC1	569178351	QWTBTXZTBZEADW-LJQANCHMSA-N	403.530	3.911	10	20	HHCD	
Cc1noc(CCCNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1	727398712	DFIFMSQPJFMENX-UHFFFAOYSA-N	417.307	3.911	10	20	HHCD	
COc1ccc(N(CC(=O)NCC(=O)c2cccs2)Cc2cccs2)cc1	731850059	MMQQGJFAJLFNRU-UHFFFAOYSA-N	400.525	3.824	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1	732259874	ZAQFFFFWMFYFCI-UHFFFAOYSA-N	408.458	3.967	10	20	HHCD	
CCOc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1OC	734008321	CMIZDYGBNCBKTM-UHFFFAOYSA-N	415.559	3.647	10	20	HHCD	
CC(C)c1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)on1	734008598	HCTNQMIYMLOZQI-GJZGRUSLSA-N	404.486	3.550	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3ccc(OC)cc3OC(F)F)SC2=S)cn1	734178934	SXVDCIKLVCHPMC-MKMNVTDBSA-N	411.455	3.919	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c1	734694321	UURVMXJDNMIYHX-INIZCTEOSA-N	420.465	3.796	10	20	HHCD	
CC(C)[C@H]1CCCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	735311894	XYXCCDYKDKIRPO-LVCYWYKZSA-N	405.558	3.566	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C3(c4ccccc4F)CC3)cc2F)C[C@@H](C)O1	736004558	LNFAHNVVMRUYDK-HZPDHXFCSA-N	400.469	3.926	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C2CC2)cc1	739507213	JFJQDKXOUKCKOD-PMACEKPBSA-N	401.551	3.937	10	20	HHCD	
CC[C@@H](c1ccncc1)N(CC)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	739887810	LHKZCXLNMSSZGT-QHCPKHFHSA-N	411.546	3.795	10	20	HHCD	
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)ccc21	741136135	FUQHWNMLEJGMGF-UHFFFAOYSA-N	413.543	3.777	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cnn(C(C)C)c2)nc1-c1cccc([N+](=O)[O-])c1	743046757	QESZLYDVADRJKJ-UHFFFAOYSA-N	407.477	3.605	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F	743118271	SFUKZXMULOATBS-UHFFFAOYSA-N	421.494	3.515	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2ccc3nccnc3c2)cc1)C1CCCCC1	743414876	ZQFRFARQSCANHL-UHFFFAOYSA-N	417.513	3.654	10	20	HHCD	
CCc1ccc(N2CCN(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)cc1	743564568	NRLQIBKMDXDEQL-HXUWFJFHSA-N	422.573	3.678	10	20	HHCD	
Cc1ccc(CCC(=O)NCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	749162954	WBKLUZIROUXALW-UHFFFAOYSA-N	407.558	3.693	10	20	HHCD	
O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	749406826	QWBRKCOPSSCPEO-UHFFFAOYSA-N	418.896	3.720	10	20	HHCD	
Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	754660195	RPUQBBLUMRIIFU-HLLBOEOZSA-N	419.566	3.776	10	20	HHCD	
CC(C)CO[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	759584856	QLJMOZWDJZBCOR-QFBILLFUSA-N	411.493	3.713	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cnc1Cl	760104798	NHOCDVBXSNSQLR-UHFFFAOYSA-N	400.910	3.535	10	20	HHCD	
COc1ccc2c(c1)[C@H](C(=O)N[C@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CC2	762101391	WLFSLJXADAGASF-AZUAARDMSA-N	414.933	3.865	10	20	HHCD	
Cc1[nH]c2ccccc2c1CCNC(=O)NCc1cccc(Br)c1O	764768971	LJIMZQFBVDOCGL-UHFFFAOYSA-N	402.292	3.986	10	20	HHCD	
COc1ccc(Cl)cc1[C@@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	765255037	OGZBHSBSNYYBNA-NVXWUHKLSA-N	401.938	3.901	10	20	HHCD	
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1O	765826511	YUTWKJWBMQEGRR-KDOFPFPSSA-N	423.340	3.820	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCc2cccnc21	766760411	BJNFZTXBIONMJE-LPHOPBHVSA-N	401.457	3.888	10	20	HHCD	
Cc1ccc(NCc2cccc(Br)c2O)cc1NC(=O)CCN(C)C	767197232	YDKKNYFJZPQUTR-UHFFFAOYSA-N	406.324	3.965	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ncn(-c3ccccc3)n2)cc1	768316256	PRSPKPIPTOZPRT-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(Br)cc(OC)c1O	769333139	QOBVSMJSRQYISF-UHFFFAOYSA-N	421.335	3.887	10	20	HHCD	
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	770833877	ZTKXKEQYMDTKTC-YHYVQYDKSA-N	417.594	3.534	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1	771790887	IUZJTAQMPKYGNZ-UHFFFAOYSA-N	422.573	3.838	10	20	HHCD	
C[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772167659	DJCGVLPTVURPMK-OAHLLOKOSA-N	402.520	3.721	10	20	HHCD	
COc1cccc(CNCc2ccc([N+](=O)[O-])c(OC)c2O)c1OC1CCCC1	775012034	PDUJAHCAMQERBV-UHFFFAOYSA-N	402.447	3.929	10	20	HHCD	
C[C@@](O)(CNCc1cc(Br)cc(Br)c1O)c1cccs1	776208891	JOUXBEXTSDBFPS-CQSZACIVSA-N	421.154	3.976	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCCOc4c(F)cccc43)CC2)cc1F	778787172	DHPBYZCHFNDBKD-LJQANCHMSA-N	417.456	3.719	10	20	HHCD	
Cc1cccc(O)c1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	778960326	JRLMDTQVRGQVMM-UHFFFAOYSA-N	404.469	3.521	10	20	HHCD	
CCc1nc(C)c(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)s1	779309525	JPIWAHMKEKDNBX-UHFFFAOYSA-N	423.541	3.834	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc3c(c2)COC3)cc1	782429158	KLYZZDNQSCTCEJ-UHFFFAOYSA-N	419.481	3.543	10	20	HHCD	
COc1cc(OC)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1F	784058157	NANPBPAXFCXPHQ-UHFFFAOYSA-N	415.465	3.730	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1	790767379	JWRUGYOSZDJUOI-QFIPXVFZSA-N	416.587	3.708	10	20	HHCD	
COc1ccc([C@@H](C)[C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC	792920279	UNWMJPZIQFNBKX-DLBZAZTESA-N	402.510	3.961	10	20	HHCD	
Cc1ccccc1C[C@@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	793673953	MJIDFGZRRBOEIF-GOSISDBHSA-N	406.482	3.570	10	20	HHCD	
CCOc1c(Br)cc(C(=O)NCc2ccc(OC)cc2O)cc1OC	794383253	KLKQBSLBUWVLMM-UHFFFAOYSA-N	410.264	3.501	10	20	HHCD	
CCCCN(CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccccc1O	801598270	XYAHEHCGJXBFCG-QFIPXVFZSA-N	400.494	3.734	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	802610394	XNLVAYPDAIJHQC-UHFFFAOYSA-N	416.346	3.855	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CN3C(=O)N[C@H](Cc4ccncc4)C3=O)cc2Cl)C1	804189323	YTHRMCKXMZNEGL-HNAYVOBHSA-N	412.921	3.634	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c(C)c1OC	804290849	VXAALSVCTZMEBE-UHFFFAOYSA-N	409.530	3.797	10	20	HHCD	
C[C@@H](Cc1cncc2ccccc12)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	805678259	PHFQNJIUKUQISX-SFHVURJKSA-N	419.525	3.681	10	20	HHCD	
Cn1ncc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1-c1ccccc1	806781800	RQIXFMOASBZEMX-UHFFFAOYSA-N	419.529	3.618	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	806822347	XTWLAZDZQHNVHM-RUZDIDTESA-N	406.574	3.869	10	20	HHCD	
CC(C)OCc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807512029	ITLYCNPKDLXBHM-UHFFFAOYSA-N	411.285	3.879	10	20	HHCD	
COc1cc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1	811786943	ZSSVXJRMCPHGDB-ZDUSSCGKSA-N	402.457	3.589	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H]1CCSC1	812134121	HPMKHXOOYOQELM-LJQANCHMSA-N	411.575	3.941	10	20	HHCD	
O=[N+]([O-])c1cc(CNCc2cccc(N3CCOCC3)c2)ccc1N1CCCCC1	815141619	CYQPVPYOHPJSQE-UHFFFAOYSA-N	410.518	3.712	10	20	HHCD	
CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1CCOCC1	915755912	JRWSBPJAWBZDOA-NRFANRHFSA-N	423.517	3.514	10	20	HHCD	
CCN(c1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1)C(C)C	915778214	GQNUMYBXEYGVPQ-UHFFFAOYSA-N	408.546	3.776	10	20	HHCD	
CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)s1	917219657	VNWJGADXHLZHCD-UHFFFAOYSA-N	421.569	3.925	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCC(=O)N2CCc3sccc3C2)C2CC2)cc1	917642914	QUBNUIFJCXMLOZ-UHFFFAOYSA-N	411.571	3.670	10	20	HHCD	
COc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1O	919655513	RPPQHTQMQHMOHJ-UHFFFAOYSA-N	409.486	3.972	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccccn3)cc2F)C[C@@H](C)O1	919907458	GOMORTQYKFJJOR-JKSBSHDWSA-N	412.509	3.881	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)c(C)n1-c1ccc(C(C)C)cc1	1116083729	LGTZTZHYGMUMFE-HXUWFJFHSA-N	405.546	3.960	10	20	HHCD	
O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(N2CCOCC2)c(F)c1	1318848718	APKUWCZATNYVME-DHDCSXOGSA-N	403.251	3.918	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccnc(Cc2ccccc2)n1	1321978810	JVRRKDJVPWGGPH-UHFFFAOYSA-N	413.275	3.857	10	20	HHCD	
COCCCOc1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1OC	1322069186	JXUXLCFQHXSARJ-UHFFFAOYSA-N	417.525	3.614	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1	1322869284	NNNHWHFXQYXFNY-HSZRJFAPSA-N	410.514	3.606	10	20	HHCD	
Fc1ccc(N2CCN(c3cc(CNCc4ccc5c(c4)CCO5)ccn3)CC2)cc1	54175784	WDCHJBJLLHYNDH-UHFFFAOYSA-N	418.516	3.772	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3ccccc3CN3CCSCC3)ccc21	61788872	FQOLHRPHWTXIDQ-UHFFFAOYSA-N	410.587	3.940	10	20	HHCD	
CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	65598074	CPBKAANQZVMNFA-KRWDZBQOSA-N	410.518	3.544	10	20	HHCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cc2c(cc1[N+](=O)[O-])OCCO2	147623811	JIFWUGCBXCLFID-KPKJPENVSA-N	411.439	3.699	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C(=O)c2c(C)nn(C)c2C)cc1	218365824	AMHZTPSJNXZQSI-UHFFFAOYSA-N	420.513	3.528	10	20	HHCD	
COC(=O)COc1c(C)cc(CNC2CCN(c3ccc(OC)cc3)CC2)cc1C	237181441	WDQOBWNZDRXNMM-UHFFFAOYSA-N	412.530	3.622	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCCOCC3CCOCC3)c2C)cc1	303825002	KPDDBSMSGGANBA-UHFFFAOYSA-N	400.519	3.666	10	20	HHCD	
Cc1c(CNC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)n(C)c2ccccc12	460677670	LWVRYNRKIXJPQN-LRDDRELGSA-N	417.556	3.655	10	20	HHCD	
CCc1nc(COc2ccc(C(=O)NCc3c(C)c4ccccc4n3C)cc2)no1	471220424	NKAXDXSFIOBBNI-UHFFFAOYSA-N	404.470	3.941	10	20	HHCD	
Cc1c(CNC(=O)N2CCCN(C(=O)c3ccsc3)CC2)n(C)c2ccccc12	472222306	NIWSAFALDIAKFL-UHFFFAOYSA-N	410.543	3.606	10	20	HHCD	
COC(=O)C1(c2ccccc2)CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1	472224695	UGJRQAWWTSCKEJ-UHFFFAOYSA-N	419.525	3.903	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCC(=O)c3ccc(F)cc3F)CC2)cc1	726561802	SMAYROAHVOHLMH-UHFFFAOYSA-N	402.441	3.722	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1	726610540	IEOBJSJZYCFYPH-UHFFFAOYSA-N	408.546	3.764	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](c1ccccc1)[C@H]1CCCO1	726706625	OSPGYMDTPLTVJO-YADHBBJMSA-N	411.571	3.959	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H](C(C)C)N3C[C@H](C)O[C@H](C)C3)cc2)CC1	731017373	XTZQQFDJVVTXKY-MZKRTTBSSA-N	401.595	3.673	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1	732562646	GIDKFZLLIPQMBW-IBGZPJMESA-N	416.525	3.510	10	20	HHCD	
CCC[C@H](CC1CCCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	733254013	LTRWSMTVZDDWEU-HXUWFJFHSA-N	406.592	3.534	10	20	HHCD	
CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	735188003	USKPVMJYAWRRJU-SIKLNZKXSA-N	422.573	3.899	10	20	HHCD	
C[C@@H](CN1CCN(c2ccccn2)CC1)NCc1cc(-c2ccccc2)ccc1O	735509413	YQURRQUFSWJMQL-FQEVSTJZSA-N	402.542	3.755	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2ccc3nc(O)[nH]c3c2)Cc2ccco2)cc1F	739925808	AHAJGUPTOJJKPN-UHFFFAOYSA-N	410.405	3.655	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1	741271520	VBMHCZDNSJKDCA-YKSBVNFPSA-N	424.589	3.622	10	20	HHCD	
CC[C@H]1CN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CCS1	742427714	YTTRIYBHQIYPBM-QMMMGPOBSA-N	406.258	3.606	10	20	HHCD	
O=Cc1cccc(OCCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742799948	OGNISUIREQAEOP-KRWDZBQOSA-N	418.440	3.655	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc2c(c1)OCCO2	743809132	NNBCMABDYLMVNP-UHFFFAOYSA-N	406.276	3.517	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	743975692	TUWIAQOURWOPQH-INIZCTEOSA-N	417.456	3.629	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC1CC(C)(C)NC(C)(C)C1	745253113	JTXFZCLIFATCRP-UHFFFAOYSA-N	412.372	3.995	10	20	HHCD	
Cc1cc(C(=O)O[C@@H]2CCN(C3CCOCC3)C2=O)c(C)n1-c1cccc(Cl)c1	746973837	TWTLYVHKSUVBOH-HXUWFJFHSA-N	416.905	3.684	10	20	HHCD	
Cc1cc(F)cc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	747262003	JGUUETVGDGYHRI-UHFFFAOYSA-N	414.449	3.683	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cc(Cl)ccc3OC(F)F)c2)CC1	748715557	BFZJZMPZVKOXQW-UHFFFAOYSA-N	423.847	3.895	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2	749581619	ACYHNPNFIARWSL-FDDCHVKYSA-N	407.558	3.981	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1O	750817940	ZGALIRRYPQYHFZ-UHFFFAOYSA-N	416.468	3.710	10	20	HHCD	
O[C@@](CNCc1ccc(N2CCOCC2)cc1)(c1ccc(Cl)cc1)C(F)(F)F	751507666	VYQCRUBAOVRMRY-IBGZPJMESA-N	414.855	3.716	10	20	HHCD	
CC(C)OCCCC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	751742603	HOBXBUVRIRHMFB-OAHLLOKOSA-N	423.465	3.537	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N[C@@H]1CCCC[C@@H]1C	751918486	HFKZCLYNZYYHFU-GRDNDAEWSA-N	401.532	3.556	10	20	HHCD	
CCOc1ccc(-c2nc(CC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cs2)cc1	753643279	GZZIVBXOKLVFCG-AWEZNQCLSA-N	412.511	3.910	10	20	HHCD	
CC(C)Oc1cccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	756059729	XLCKFELRNFHEIQ-UHFFFAOYSA-N	415.509	3.791	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1	756076189	DSPJMUGVYZHPFC-UHFFFAOYSA-N	420.538	3.589	10	20	HHCD	
C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)cc(F)c1O	756355025	FWDFQVLYCXYKBF-PBHICJAKSA-N	423.326	3.845	10	20	HHCD	
C[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1cc(Br)c(F)cc1O	756384032	NBGDJQPDURSLTD-JTQLQIEISA-N	417.300	3.516	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc2c(cc1O)CCCC2	756442853	RARWBIXWVBVKEM-DYESRHJHSA-N	407.558	3.824	10	20	HHCD	
C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Br)cc1O	756798337	YKHSOGQNQISITF-GFCCVEGCSA-N	411.321	3.868	10	20	HHCD	
COc1ccc(N[C@H](C)c2cc(Br)ccc2O)cc1-n1nnnc1C	757600121	ZTUIKWBNCHQOTK-SNVBAGLBSA-N	404.268	3.621	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)C2Cc3ccccc3C2)NC(=O)OC(C)(C)C)cc1	761949712	CEHSLVNSKFJTKW-QFIPXVFZSA-N	423.557	3.850	10	20	HHCD	
C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(N2CCCCC2)cc1	764812542	MLNTYZMVTXWTMI-SFHVURJKSA-N	401.576	3.778	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cccc(Br)c1F	765752020	VRRZWXZPSSZUQF-UHFFFAOYSA-N	403.045	3.986	10	20	HHCD	
Cc1cc(F)ccc1-n1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)nn1	768134766	NPYXRWFMBVOUFN-UHFFFAOYSA-N	413.416	3.677	10	20	HHCD	
CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(N2CCOCC2)cc1	768208452	QHFUZYZKXDDATJ-UHFFFAOYSA-N	417.594	3.992	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(c3nc4cc(Cl)ccc4o3)CC1)[C@H](O)CO2	768441312	YFKJPVIBECDBFI-GOSISDBHSA-N	400.862	3.992	10	20	HHCD	
O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCc2ncccc21	770672499	MLWVCJBYBFKZCI-VBKFSLOCSA-N	415.565	3.714	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)c(C)n1-c1ccc(F)cc1	772776842	FQAPCMIOQXBVSK-HXUWFJFHSA-N	408.477	3.844	10	20	HHCD	
CN(C)c1ccc([C@H](CNCc2ccc3nc[nH]c3c2)NC(=O)OC(C)(C)C)cc1	773408872	JUJPCTYCVXWYIO-NRFANRHFSA-N	409.534	3.985	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@H]1Oc1ccccc1	776272129	NGXIWXYCFJQEIM-XPNTWCBSSA-N	405.498	3.844	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(C)n(-c4ccc(F)cc4)n3)CC2)cc1	776835746	CYKNELMAFOYGGG-UHFFFAOYSA-N	408.477	3.681	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CC(C)(C)OC3(C)C)cc2F)C[C@@H](C)O1	778620387	LFIRIYLSNFPNSX-KHYOSLBOSA-N	407.530	3.585	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1O	779025939	GBWIHTNTWYLXPJ-KKSFZXQISA-N	419.363	3.751	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1	779492709	JACGWYDVNAHKCK-WAPJZHGLSA-N	423.494	3.710	10	20	HHCD	
CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc2C)ccn1	780962218	KFVCLAUCNUIYGT-UHFFFAOYSA-N	407.426	3.514	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1	784109146	QVXMYEYSUWLEJT-HXUWFJFHSA-N	423.513	3.598	10	20	HHCD	
Cn1c(-c2ccc(N3CCOCC3)cc2)nc2cc(I)ccc21	786035649	DYVUXAOJUKGMPG-UHFFFAOYSA-N	419.266	3.682	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C=C\c3ccc(C(C)(C)C)cc3)cc2)CC1	786258551	ZUGJRKYWAASLSY-ZROIWOOFSA-N	419.569	3.982	10	20	HHCD	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	786710836	QLPIRWQNUKNAGH-INIZCTEOSA-N	403.420	3.535	10	20	HHCD	
COc1ccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c(O)c1	794377142	NCQXHJPHQADIRD-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
COCCCOc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	797017008	MZUXYFOYXKKBSG-GOSISDBHSA-N	402.510	3.928	10	20	HHCD	
Cc1cccnc1[C@@H]1CCC[C@@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	798926889	NNKSBRAEJKYTSX-YPAWHYETSA-N	406.574	3.908	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1OC	799183242	HBDRIDQZYXICRO-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	800865307	IVMGCGIPJTWZNJ-QGZVFWFLSA-N	408.477	3.647	10	20	HHCD	
CC(C)OC[C@@H]1C(=O)N(Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C(=O)N1C	804188239	KVNHEWDAYIBJME-DNVCBOLYSA-N	407.942	3.764	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H](C)c3ccccc3F)cc2)CC1	805025292	PKBHQMFOCIEIBT-GOSISDBHSA-N	411.521	3.898	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H]1[C@@H]1CCCO1	806683988	FAGHDLMSZVUIFO-MOPGFXCFSA-N	409.477	3.610	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)cc1	806854697	NFHPKXKOADXFSL-UHFFFAOYSA-N	423.513	3.532	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1F	807672417	ZACBNNULRFXGJF-JLTOFOAXSA-N	403.473	3.866	10	20	HHCD	
CC(C)(C)[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1	808085012	SYNPDJIYOOMXNR-GHTZIAJQSA-N	416.562	3.763	10	20	HHCD	
C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](O)c1ccccc1	812024757	RQLORGSTNYSCDT-MGPUTAFESA-N	419.472	3.678	10	20	HHCD	
CC1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H]1[C@H]1CCCO1	812066999	JCGMSPTWOVJPJJ-ATZDWAIDSA-N	423.504	3.856	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1	813242453	QIHLJQYIACAXCU-KRWDZBQOSA-N	410.518	3.995	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cn2c(Br)cnc2s1	815835943	KGNSOCABFGINFO-UHFFFAOYSA-N	406.305	3.673	10	20	HHCD	
COCCNC(=O)/C(=C/c1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1	916155094	HZAHFQIXQFRQIF-LVZFUZTISA-N	404.514	3.856	10	20	HHCD	
O=C1c2ccccc2N[C@H](c2cc(O)cc(Br)c2O)N1C[C@@H]1CCCO1	917501952	VANNNMUNTOSXBJ-SGTLLEGYSA-N	419.275	3.606	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cncn3-c3ccccc3)cc2F)C[C@@H](C)O1	917711249	MQWFGEPYDYMDLF-IAGOWNOFSA-N	408.477	3.555	10	20	HHCD	
CCc1ccc(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	917713628	SVVFOCGAOCQYBS-IAGOWNOFSA-N	400.494	3.697	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(F)cc1Br	917863668	ZPXNOKDKMAQXJA-UHFFFAOYSA-N	414.281	3.908	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c(F)cccc1F	918102240	RRZTVXRESNKLGR-ZDUSSCGKSA-N	407.436	3.625	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)n1-c1ccccn1	919969317	UPPBGIWPJWXLHO-UHFFFAOYSA-N	418.541	3.628	10	20	HHCD	
c1ccc(-c2noc(CN3CCN(Cc4ccc(N5CCCC5)cc4)CC3)n2)cc1	1324716604	OPVLSDONPOZBGR-UHFFFAOYSA-N	403.530	3.655	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccccc3C)n2)cc1	1325859301	HNMVLSMYHPZACW-UHFFFAOYSA-N	401.513	3.555	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(C)nc3Br)CC2)cc1	1336535442	WMVSLBUNSLROLW-UHFFFAOYSA-N	404.308	3.514	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Br)c(Br)[nH]1	1338738708	VAJZRZRJDQKKCG-UHFFFAOYSA-N	415.129	3.844	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCCOc1ccccc1)c2[N+](=O)[O-]	10922844	IJZIRIDYNAQVOS-UHFFFAOYSA-N	417.373	3.606	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)sc2n1	14152409	DIILEVNYQFYUCW-QGZVFWFLSA-N	413.474	3.811	10	20	HHCD	
CCn1c(SCC(=O)N2CCCN(c3ccc(OC)cc3)CC2)nc2ccccc21	108429812	HGDFPOGINUJSSH-UHFFFAOYSA-N	424.570	3.896	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3ccc(OC(C)C)cc3)CC2)cc1	110468083	IDSCXTXLVRYBJU-UHFFFAOYSA-N	411.546	3.993	10	20	HHCD	
CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	303066766	ZVAIXPLOFPIFTM-VLIAUNLRSA-N	415.559	3.533	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c([N+](=O)[O-])c1	727251251	XNHUNWAVYSOGCX-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1	728944133	MVXPIBBHQYYARU-HRAATJIYSA-N	415.534	3.853	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c1	728947507	ZRJFHNPVTMJTNF-OAHLLOKOSA-N	420.469	3.609	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	728948457	HNVXRDACPXILFN-OAHLLOKOSA-N	401.532	3.514	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	729053284	DTZMBFHJIFZTHU-PMPSAXMXSA-N	421.538	3.797	10	20	HHCD	
COc1cccc(CNC(=O)c2cc3c(OC)ccc(Br)c3[nH]2)c1O	729858879	FYOVMZJILVWCTJ-UHFFFAOYSA-N	405.248	3.583	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	730119958	VYGUBRFPONTNII-UHFFFAOYSA-N	423.492	3.603	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC3CCN(Cc4ccncc4)CC3)cc2)CC1	731049803	PJHSOYMKYWPXAS-UHFFFAOYSA-N	421.589	3.782	10	20	HHCD	
Cc1ncccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	731094185	FJTMXNCISOFKMK-UHFFFAOYSA-N	406.438	3.608	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1nnn(-c2cccc3cnccc23)c1C	731225767	PDQKXDRHWAEJAY-UHFFFAOYSA-N	401.470	3.882	10	20	HHCD	
CCc1cccc(CC)c1S(=O)(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	736332305	CBVDNHLDKXLKRG-KRWDZBQOSA-N	402.560	3.688	10	20	HHCD	
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	736375094	GZTKNLSRULOJID-KKSFZXQISA-N	417.937	3.752	10	20	HHCD	
CCOC(=O)c1sc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C	738919651	WONWOTWMOFASNA-OAHLLOKOSA-N	417.531	3.953	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CN[C@H](c3ccccc3)C(F)(F)F)CC2)cc1	740743705	ZBOYZFPKICINRI-OAQYLSRUSA-N	421.463	3.673	10	20	HHCD	
COc1ccccc1[C@@H](C)SCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	742454279	CCYZSYNEHKPCKA-MRXNPFEDSA-N	418.534	3.782	10	20	HHCD	
CCc1nsc(N2CCN(C(=O)c3cc(C)n(-c4cccc(C)c4)c3C)CC2)n1	742906444	CGHQHYIJFZSPEA-UHFFFAOYSA-N	409.559	3.779	10	20	HHCD	
COc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1N1CCOC1=O	743234679	HKSAIZXGXRQACE-UHFFFAOYSA-N	411.458	3.558	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1	743388162	NJYDYDSMBGZYME-UHFFFAOYSA-N	411.399	3.946	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@H](O)COc1cccc(C(C)=O)c1	743873301	NYBLGWJXMQMEIT-SFHVURJKSA-N	422.319	3.619	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(OC2CCCC2)c1	743956818	WJLVFAGGWBWCAG-UHFFFAOYSA-N	408.498	3.847	10	20	HHCD	
Cc1c(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cccc1[N+](=O)[O-]	747806503	OANAIIJVGWUWSP-HUUCEWRRSA-N	415.465	3.515	10	20	HHCD	
CC(=O)c1cccc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	750875494	UXUYTQSGZAVIRU-CYFREDJKSA-N	424.541	3.930	10	20	HHCD	
CC(=O)Nc1ccccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F	751272072	FBWGSZVAJDJAOD-UHFFFAOYSA-N	407.436	3.790	10	20	HHCD	
CC(C)n1nnnc1-c1ccccc1NC(=O)NCCCSc1nccs1	753053011	NPPWHOHSHTZMQA-UHFFFAOYSA-N	403.537	3.681	10	20	HHCD	
COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)CO2	754552723	RARIWKVIYSKTNZ-OAHLLOKOSA-N	413.429	3.660	10	20	HHCD	
Cn1ccc([C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccc(Cl)cc2)n1	756424842	WNUFHIGDPBTLOL-JOCHJYFZSA-N	414.912	3.928	10	20	HHCD	
COC1CCN(C(C)(C)CN[C@@H](C)c2cc(Br)cc(F)c2O)CC1	756556311	WFFQBBKYAZBBES-LBPRGKRZSA-N	403.336	3.834	10	20	HHCD	
O=S1(=O)CC[C@@H](CCN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)C1	760858189	ZSOQYJKXNOSECN-WWPOYFSUSA-N	413.539	3.802	10	20	HHCD	
Cc1coc(-c2cc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)ccc2C)n1	764261585	HKQAONZEDNGOBB-UHFFFAOYSA-N	416.481	3.590	10	20	HHCD	
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCS[C@@H]2COCC[C@@H]21	769346518	UDEMMSOEESVAJF-PKOBYXMFSA-N	404.557	3.930	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1N1CCCCC1	770379700	KNHHTQBQWSWFQQ-GOSISDBHSA-N	410.522	3.960	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	771984042	BGSCEEMTQDXXJN-IEBWSBKVSA-N	414.550	3.650	10	20	HHCD	
Cc1ncc(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	772013623	GOYXXRLFBICMJY-CQSZACIVSA-N	410.490	3.564	10	20	HHCD	
C[C@@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cn(C)c2ccccc12	772852112	SZERRLQZOJDUSC-QGZVFWFLSA-N	407.514	3.550	10	20	HHCD	
C[C@@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1	773225674	UBXSQMIUVZJVJM-OAQYLSRUSA-N	423.605	3.715	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(N(C)C)cc1	773243208	LLYLGFCGYSKISN-CVEARBPZSA-N	402.489	3.918	10	20	HHCD	
O=C(NC1CCCCCCC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	774594268	ZLXKXIRKCULZKO-UHFFFAOYSA-N	423.504	3.602	10	20	HHCD	
Cc1ccc(-c2noc(CN3CCN(Cc4cc(Cl)cc(F)c4O)CC3)n2)cc1	775646304	WRFQTFQPGSXCSC-UHFFFAOYSA-N	416.884	3.861	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(-c2ccco2)nc1C	777828920	PQGASRCSMAMWLY-UHFFFAOYSA-N	414.845	3.824	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1	779499772	OICHRZVNCVQNAO-HTUWBFOXSA-N	417.303	3.516	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](OCC2CC2)C1	779604457	KIOIIXOQEPTCNB-FXAWDEMLSA-N	423.504	3.857	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cnc(-c2ccccc2)nc1	780684488	SVVUDFQXLLGMHF-UHFFFAOYSA-N	422.554	3.955	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ncnc3ccc([N+](=O)[O-])cc23)cc1	782150568	MOJATTWGCNXICU-IBGZPJMESA-N	407.474	3.790	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(C)c1F	782927769	ZCNHTVWQPKQMKE-UHFFFAOYSA-N	422.459	3.796	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccnn2Cc2ccccc2)C2CCCCC2)cc1	784057970	IPSVWQLAJILGRB-UHFFFAOYSA-N	417.513	3.818	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(F)cc1C	785191459	BEUWQBPKLVWCCC-UHFFFAOYSA-N	409.255	3.589	10	20	HHCD	
CC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1	785438263	BIIQJGDBQJYKEK-UHFFFAOYSA-N	419.525	3.626	10	20	HHCD	
Cc1ccc(F)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1Br	787150545	RBWXOHWWZBCQTL-UHFFFAOYSA-N	407.283	3.663	10	20	HHCD	
C[C@H]1OCC[C@]12CN(C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CCO2	792057939	QZGHTWZVXGZIKS-JPYJTQIMSA-N	401.551	3.545	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1	792221623	CKESBAVBUROAPN-UHFFFAOYSA-N	423.604	3.728	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(CCS(C)(=O)=O)cc2)c(C(F)(F)F)c1	792879684	OFWUQYZXXNIUGB-UHFFFAOYSA-N	400.466	3.971	10	20	HHCD	
Cc1c([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)oc2ccccc12	793627668	PWTPMSNUFYHSSC-QGZVFWFLSA-N	403.482	3.611	10	20	HHCD	
CCOC(=O)c1cc2cc(S(=O)(=O)Nc3ccc(O)cc3C(C)=O)ccc2s1	794597511	YTGWXXGSQIZSPA-UHFFFAOYSA-N	419.480	3.787	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H](O)c1cccc(C(F)(F)F)c1	795329817	RSFVQZHZTKSASO-GOSISDBHSA-N	410.461	3.608	10	20	HHCD	
CC[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCO1	798746947	HMJIYEKMKBEGPM-QXPQOBGOSA-N	424.613	3.757	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCCNC(=O)C3CCC3)cc2Cl)C1	799937868	ITZKJORFRZDMKE-INIZCTEOSA-N	420.985	3.682	10	20	HHCD	
O=C(COC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1ccc(O)c(O)c1	803789842	GYQMYHWAGSKVMC-UHFFFAOYSA-N	409.360	3.757	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](O)c2cccnc2)c(C)n1-c1ccc(F)c(Cl)c1	803959996	MKKYHLWDMAKCBH-HXUWFJFHSA-N	416.836	3.741	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N(C)[C@H](C)c3ccc(C)cc3C)CC2)cc1	804318206	CXNRJYNMUZTXGD-LJQANCHMSA-N	423.557	3.617	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1OC(F)F	807511195	HJXSMLNDBCQYAD-UHFFFAOYSA-N	419.211	3.864	10	20	HHCD	
CC1(C)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H]1[C@H]1CCCO1	812024279	KTEOZOWOGAVSCT-MOPGFXCFSA-N	423.504	3.856	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(COCc2ccccc2)n1C[C@@H]1CCCCO1	812443110	IXGZJJIGGVGUDO-NRFANRHFSA-N	422.529	3.906	10	20	HHCD	
CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1	812479652	LPJSGSRLBIIYOM-NRFANRHFSA-N	402.922	3.896	10	20	HHCD	
COc1ccc(N2CCC(NCCCN3CCN(c4cccc(C)c4)CC3)CC2)cc1	812823652	HLWVXGFNQHZBBV-UHFFFAOYSA-N	422.617	3.774	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cc(C)nc(N3CCCC3)n2)cc1	813856345	ASHGCOABCPMZBH-UHFFFAOYSA-N	410.566	3.573	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1O	815562970	QNJBXXFPGXMPAZ-GOEBONIOSA-N	421.463	3.964	10	20	HHCD	
CNC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1	915779564	GNBXWGVIUITOOR-UHFFFAOYSA-N	415.453	3.717	10	20	HHCD	
Cc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)c1	916456584	LKLGAEQGXYHGPA-UHFFFAOYSA-N	422.447	3.854	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1	916503123	SKZDRDCPRBTLFP-UHFFFAOYSA-N	412.559	3.628	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCOc2ccccc2F)cc1	916565827	KSQPARPHVLCRBC-FQEVSTJZSA-N	400.494	3.868	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CSc2nnc(C)n2Cc2ccccc2)cc1	918112822	NQXALYLVLYOGGH-UHFFFAOYSA-N	423.586	3.890	10	20	HHCD	
O=C(NCCCSc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	918176114	NDBIODWNWHZBHQ-UHFFFAOYSA-N	403.523	3.644	10	20	HHCD	
C[C@H](NC(=O)CCOc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1	920882724	XEHVSHSJWUPZFA-HNNXBMFYSA-N	406.885	3.962	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1	1323362451	FYEXFGDTJKOGIB-JOCHJYFZSA-N	422.573	3.977	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCc3cccc(OC(C)(C)C)n3)CC2)cc1	1324626899	KXEXJEBRTLNJIE-UHFFFAOYSA-N	411.546	3.939	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)NC(=O)c2ccccc2)c(C)n1-c1cccc(F)c1	14761896	VTBOPNWTMIMIJB-INIZCTEOSA-N	422.456	3.778	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)c2C)c1	57577546	QVRZQQBMMZLOES-UHFFFAOYSA-N	411.527	3.919	10	20	HHCD	
O=C(CCCOc1ccc(F)cc1F)NCc1ccc(N2CCC(CO)CC2)cc1	303054449	KBCUUBMJXUJNAG-UHFFFAOYSA-N	418.484	3.649	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1F	303301173	CTYUYYWLJYKMBQ-OAQYLSRUSA-N	404.505	3.913	10	20	HHCD	
Cc1cccc(Br)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	328073777	RTGXPBIZRNDZBO-UHFFFAOYSA-N	403.320	3.866	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CNC(=O)CC2CCCC2)c(C)n1-c1cccc(F)c1	725990675	DBCCDDZKQCSTLO-UHFFFAOYSA-N	414.477	3.656	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1sc2nc(COC)nc(OC)c2c1C	727170693	VGRCAYOFRTYAEA-UHFFFAOYSA-N	415.515	3.913	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1	727466858	GGCPMIZMRRIWDV-LMMKCTJWSA-N	421.557	3.928	10	20	HHCD	
Cc1cccnc1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	729437658	KNMIRNHEDBJTMR-LFIBNONCSA-N	417.581	3.749	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC3CC(c4ccccc4)C3)cc2F)CC1	730128463	PEEBOLZJPYGKCG-UHFFFAOYSA-N	410.537	3.713	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1	734861463	MEIUFFUTLRWTNG-VHFSOBRXSA-N	401.457	3.718	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)c2)CC1	739603640	WYMMRWYAPLIGDQ-UHFFFAOYSA-N	413.543	3.715	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCc2nc(C3CC3)no2)cc1	739708609	NIEBOPPTZXJUOH-HXUWFJFHSA-N	412.534	3.544	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)s1	740919555	ANKRDRGYPLNIKO-UHFFFAOYSA-N	424.570	3.537	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccc(N2CCOCC2)cc1	741732016	ASFMYTUREWLAJG-HNNXBMFYSA-N	405.901	3.775	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3oc4c(C)ccc(C)c4c3C)CC2)cc1	742916499	KAXLYFQVUFYRBH-UHFFFAOYSA-N	421.541	3.919	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@@]12CCCc1ccccc12	743314429	MCORXCGOUUZKFU-PXDATVDWSA-N	408.517	3.697	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CCc3ccccc34)cc2F)C[C@@H](C)O1	743315497	WZJXAPNOIPUZOU-IZSHTCLWSA-N	408.517	3.960	10	20	HHCD	
O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N(Cc1ccco1)Cc1ccccc1O	743430099	BKGSQKWYDPDZSC-UHFFFAOYSA-N	419.393	3.990	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1	743552806	SNWBLKAMDHCBEM-UHFFFAOYSA-N	409.509	3.900	10	20	HHCD	
CCc1cnc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	743692964	BJDXXUYNZOMDBR-UHFFFAOYSA-N	410.490	3.775	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3cc(C)nn3C(C)(C)C)sc2n1	744576076	KBHJYSTUUQGWMA-UHFFFAOYSA-N	415.519	3.551	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC1CCN(CC(C)C)CC1	745424473	LHABHHYNIQPBFU-UHFFFAOYSA-N	412.372	3.807	10	20	HHCD	
CCSCC[C@@H](C)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	745809550	UMJBVSXBZNENHR-QGZVFWFLSA-N	410.603	3.641	10	20	HHCD	
Cc1ccc(N2CC[C@@H](NC(=O)N(Cc3ccco3)Cc3ccccc3O)C2=O)cc1	745859344	OIAPGOOMXZKGAO-OAQYLSRUSA-N	419.481	3.811	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H]1CN1CCCC1	745905682	PTQRDPBLAKVOCO-PKOBYXMFSA-N	422.520	3.527	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC3CCN(CCOC(C)C)CC3)c2C)cc1	747418977	GIBXGTXDMIOTLE-UHFFFAOYSA-N	413.562	3.722	10	20	HHCD	
CC(C)c1ccccc1OCCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	751663732	DHXDZUMJQSACBU-FQEVSTJZSA-N	423.557	3.597	10	20	HHCD	
CC[C@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)Oc1cccc(F)c1	753341380	ARTIMEQILUZJKG-HXUWFJFHSA-N	415.509	3.960	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1	753591747	OJVAINMSJZMPRO-UHFFFAOYSA-N	413.455	3.907	10	20	HHCD	
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c12	753639769	BWVIBRQXDRRLBZ-AWEZNQCLSA-N	416.481	3.716	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCc3ccccc3Br)CC2)cc1F	753737272	DTKSFPVIGVQMKP-UHFFFAOYSA-N	421.310	3.878	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)cc1F	753863252	XXLKIJWQKPRTSN-UHFFFAOYSA-N	408.271	3.951	10	20	HHCD	
C/C(=C/c1ccccc1Cl)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	755608657	MLDZWDMECRBRAT-AGWAZZAUSA-N	411.933	3.761	10	20	HHCD	
Cc1cccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1Br	757009630	WDUIKNMZXJSJBH-UHFFFAOYSA-N	417.347	3.896	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(Cl)c(C)c3)CC2)cc(OC)c1OC	759221635	CTTBABZELVUWEW-UHFFFAOYSA-N	404.894	3.637	10	20	HHCD	
COc1cccc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)c1O	760814763	CDLMWAZVZOGFRW-UHFFFAOYSA-N	416.433	3.965	10	20	HHCD	
C[C@H](CCc1ccc2c(c1)OCO2)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761002527	UJCSUJQZUPZVFP-CYBMUJFWSA-N	416.861	3.560	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN3C(=O)[C@@H](c4ccccc4)N(C)C3=O)cc2F)C[C@@H](C)O1	761094895	ZOYJMNPYYCOUJX-WHSLLNHNSA-N	411.477	3.575	10	20	HHCD	
CN1CCCc2cc(CN3C(=O)N[C@@H](c4ccc(Br)cc4)C3=O)ccc21	761177290	IEXGXOGNNXYJQA-SFHVURJKSA-N	414.303	3.625	10	20	HHCD	
COc1ccc([C@H](C)CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1	761220054	SQXCPMJREJBJMI-QGZVFWFLSA-N	400.519	3.647	10	20	HHCD	
CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCCc2ccc(O)c(O)c2)c1	762269150	YTEFNFXWXGWGDR-UHFFFAOYSA-N	405.882	3.644	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1nc(Br)sc1C1CC1	764426343	LARMINNNJFWAOL-UHFFFAOYSA-N	422.348	3.550	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1ccc2ccccc2c1	764865105	SWXGRESCNXMACI-XMMPIXPASA-N	406.526	3.548	10	20	HHCD	
CCC(CC)C(=O)N1CCC(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	765141138	HQCRMJUCDRZVQU-KRWDZBQOSA-N	405.558	3.740	10	20	HHCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@H](O)COc1ccccc1Br	765261013	LNUUGJAVJSEFJF-LBPRGKRZSA-N	421.118	3.991	10	20	HHCD	
O=C(c1ccc(OCC(F)(F)F)cn1)N(Cc1ccccc1O)C[C@H]1CCCO1	765465490	QZEHQNJBSQFJBF-MRXNPFEDSA-N	410.392	3.550	10	20	HHCD	
O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(Cc1ccccc1O)C1CCCC1	766816967	HXIIFFYTCFIFHU-UHFFFAOYSA-N	404.488	3.618	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c1	767002633	OZXFJIILUVMURP-LLVKDONJSA-N	411.271	3.733	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3cc(F)ccc3Br)CC2)cc1	771248810	FMNIJZRTHXIOLV-UHFFFAOYSA-N	421.310	3.878	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C(=O)OC(C)(C)C	772374630	BCWUNECMJCRQJH-MJGOQNOKSA-N	414.550	3.650	10	20	HHCD	
CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2C1	773845345	HMVOMKXIWUPGCM-ROUUACIJSA-N	422.573	3.929	10	20	HHCD	
CCOc1cccc(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1O	775037981	REOXZEBJVOTDRN-UHFFFAOYSA-N	403.422	3.503	10	20	HHCD	
CC[C@H](CSC)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	775516972	XRGNQXRCMVWLRV-HLVNSREUSA-N	414.643	3.987	10	20	HHCD	
Cc1cc(C)c2[nH]cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c(=O)c2c1	776149048	GAZZJQYLKJIDMB-SFHVURJKSA-N	406.482	3.672	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(OCc2cn3ccccc3n2)c1	779482005	BAPLFUIWKTXHKH-CSKARUKUSA-N	401.422	3.976	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	780055321	FYNBPIKRDUKQNV-UHFFFAOYSA-N	421.831	3.573	10	20	HHCD	
COc1ccc(N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1OC	780285172	HTOVTJGRBAUWDO-UHFFFAOYSA-N	412.389	3.901	10	20	HHCD	
Cc1occc1-c1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)no1	786215082	BPNZEMLVEALEMG-UHFFFAOYSA-N	414.437	3.665	10	20	HHCD	
Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	789558897	DQVUQYHHCHQQHX-UHFFFAOYSA-N	422.298	3.560	10	20	HHCD	
Fc1cc(CNCc2c(F)cccc2OC(F)(F)F)ccc1N1CCOCC1	790519849	WIWSOVWPOFBWRY-UHFFFAOYSA-N	402.363	3.990	10	20	HHCD	
Fc1cc(Br)c(CNCc2ccc(N3CCOCC3)c(F)c2)cc1F	796510264	KMDLIFXJYMUGLL-UHFFFAOYSA-N	415.253	3.993	10	20	HHCD	
CC[C@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCO1	798746942	HMJIYEKMKBEGPM-AOHITCTBSA-N	424.613	3.757	10	20	HHCD	
Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	803121029	NIFLRYJAFQHRHA-OAHLLOKOSA-N	416.529	3.770	10	20	HHCD	
Cc1cc(C(=O)NCCC2(O)CCOCC2)c(C)n1-c1ccccc1Br	804332093	VRLRGTIPYSFWHT-UHFFFAOYSA-N	421.335	3.518	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2ccccc2F)cc1F	804851435	CCXAOTOVCYRVTJ-HNNXBMFYSA-N	403.473	3.647	10	20	HHCD	
Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C	807407427	OKTAYYSFYFCJEW-YKSBVNFPSA-N	424.589	3.664	10	20	HHCD	
Cc1cccc([C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	807468789	BGEJMJQTCGNBIO-FQEVSTJZSA-N	407.558	3.864	10	20	HHCD	
COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807673091	NHTREDXUQHVVJH-DYESRHJHSA-N	411.546	3.842	10	20	HHCD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	808237773	FMZAGBXDCZUMLV-HCROLABASA-N	413.493	3.761	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(F)(F)[C@H](CO)C3)c2C)cc1	812860308	YBTCGLBYSOKMAR-KRWDZBQOSA-N	406.473	3.625	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc2c(c1)CCCCC2=O	813507623	PDMSQTTWDUHBBA-UHFFFAOYSA-N	415.873	3.770	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1	813513182	JKPNKAWOHBPGFG-GFCCVEGCSA-N	406.504	3.892	10	20	HHCD	
COCc1cc(NCc2cc(Br)cc(OC)c2O)cc(C(=O)OC)c1	814176456	PXDLFNXNZHRDGJ-UHFFFAOYSA-N	410.264	3.708	10	20	HHCD	
COC(=O)N1CCN(c2ccc(N[C@H](C)c3cccc(C(F)(F)F)c3O)cn2)CC1	815654568	QTIBURDFKOMBGZ-CYBMUJFWSA-N	424.423	3.868	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(Cn4cncn4)cc3)c2C)cc1	839237538	KREIWXZCTUQBBZ-UHFFFAOYSA-N	415.497	3.673	10	20	HHCD	
Oc1cc2c(cc1CN1CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C1)OCO2	917433257	OPAWHASRBDYGEF-GFCCVEGCSA-N	420.391	3.562	10	20	HHCD	
CCOc1c(Cl)cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OC	917707529	LKEKWMJRUHPBBY-UHFFFAOYSA-N	422.884	3.653	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)cc1	918430320	WVQJWYJGQRODJE-UHFFFAOYSA-N	408.527	3.911	10	20	HHCD	
O=C(NCCNCc1ccc(N2CCCC2)cc1)c1cccc(Br)c1	1318521832	QMPYQBJTOZGZCM-UHFFFAOYSA-N	402.336	3.569	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1	1325023239	LESZWQVGRHASIA-REWPJTCUSA-N	410.581	3.578	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccccn2)C3)cc1	1845398245	OHGVAQLVONIKKM-UHFFFAOYSA-N	414.509	3.620	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65698211	FFDPDICTUSSCIS-LJQANCHMSA-N	410.562	3.882	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccnc3N3CCOCC3)c2C)cc1	65825012	LEJHAIBUBJFJPW-UHFFFAOYSA-N	406.486	3.587	10	20	HHCD	
CCCCN1C(=O)C[C@H](C(=O)N(C)Cc2ccccc2O)[C@@H]1c1ccc(OC)cc1	71963594	APFFFGVAPCLSQX-REWPJTCUSA-N	410.514	3.749	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)NC(C4CC4)(C4CC4)C3=O)c2C)c1	72068177	BEMBMJFUIVLMNN-UHFFFAOYSA-N	405.498	3.696	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1	301186041	PLCLNTPFVJLMTM-UHFFFAOYSA-N	400.486	3.881	10	20	HHCD	
CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	303066767	ZVAIXPLOFPIFTM-XOBRGWDASA-N	415.559	3.533	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)ccc21	303094723	FIOSRKZJDGOZTI-UHFFFAOYSA-N	404.514	3.757	10	20	HHCD	
COc1ccc(SCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	303709707	PPNXKFVJMHWISF-UHFFFAOYSA-N	414.571	3.703	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCC2(c3ccccc3Cl)CC2)n(C)c2ccccc12	507108639	GXLZWZQHPSSRGI-UHFFFAOYSA-N	409.917	3.604	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCc2csc(-c3ccccc3)n2)n(C)c2ccccc12	556229203	VJLLJHRIJIPGHQ-UHFFFAOYSA-N	418.522	3.543	10	20	HHCD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/c1nc2ccccc2c(=O)n1CC(=O)O	670370236	RKSZERMSFDFBNS-VAWYXSNFSA-N	418.428	3.593	10	20	HHCD	
CC(C)COC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	726245635	LHOUFFCLONJABH-RXVVDRJESA-N	415.534	3.890	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cnc(-c4ccccc4)nc3)SC2=S)cn1	726985617	CVHWFTMFOQWBOC-CXUHLZMHSA-N	406.492	3.953	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CCC[C@H](CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	727104198	ZLXYGOTUSXAYGR-IRXDYDNUSA-N	406.473	3.971	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccccc2C)cs1	727248370	CKOGWZQHHGIOSI-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CC(C)(C)OC(=O)NC1(CNCc2ccc(N3CCOCC3)c(F)c2)CCCCC1	727471142	ZEKNYSWPODRSNG-UHFFFAOYSA-N	421.557	3.980	10	20	HHCD	
Cc1cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Cl)cc1	728868585	WNRFRSHYAQKQNE-SFHVURJKSA-N	406.935	3.539	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)c1	728946682	IMVWGSGBDMSXJN-OAHLLOKOSA-N	420.469	3.609	10	20	HHCD	
CNC(=O)C1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)CC1	730042953	ADHRCTTZRSTLIZ-UHFFFAOYSA-N	423.296	3.653	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(OCCN(C)C)c2)cc1F	731402672	DVPKGQFUBIJCQI-UHFFFAOYSA-N	402.514	3.934	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1ccc(Br)cn1	731848335	WPLOSHVWNHCXRL-UHFFFAOYSA-N	404.308	3.933	10	20	HHCD	
CN(CCNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)CC(F)(F)F	732703672	IOWDOYXUKLJMOG-UHFFFAOYSA-N	412.456	3.552	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)c1	734066167	JABSVBQSORMOLT-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
Cc1cc(NC(=O)NCCc2ccc(O)c(O)c2)n(-c2cccc(C(F)(F)F)c2)n1	734513350	KZCYFKQFNNXFNS-UHFFFAOYSA-N	420.391	3.975	10	20	HHCD	
COCCOc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1	735328453	BWOLPGMUDSHIQJ-VCHYOVAHSA-N	415.492	3.846	10	20	HHCD	
CC1CCN(c2ccc(CNc3ccc(S(N)(=O)=O)c4cccnc34)cc2)CC1	736602997	LJVAYVYNFVEOFY-UHFFFAOYSA-N	410.543	3.731	10	20	HHCD	
CC(C)c1nc2cc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)ccc2o1	741097286	NNAGNMNLHDSPDE-UHFFFAOYSA-N	404.470	3.582	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCC[C@@H]3CCC[C@@H]31)c2[N+](=O)[O-]	741984045	IVCZHPBZKGLURR-UGSOOPFHSA-N	404.422	3.775	10	20	HHCD	
O=C(NCCc1ccc(F)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743503368	VZLYCADNNOGUCL-QGZVFWFLSA-N	407.436	3.938	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)NCc3ccc(N4CC=CC4)cc3)n2)c1	743623126	GLIOJDNIAIAYJO-MRXNPFEDSA-N	419.485	3.682	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN1c1ncnc2sccc12	743716995	FVTCKSBBLDIXCH-SFHVURJKSA-N	408.527	3.561	10	20	HHCD	
Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nnn1-c1cccc2cccnc12	743719769	RNRZKEXTRDMXHE-UHFFFAOYSA-N	413.481	3.638	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)CC2)cc1	745350182	KDRAWGSNQLAMAQ-HYBUGGRVSA-N	422.573	3.610	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1F	745393789	BXJOIHIEVVZISI-NRFANRHFSA-N	408.477	3.732	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3cnn(Cc4ccccn4)c3)cc2)CC1	746728088	MKYHCWICTMOZDY-UHFFFAOYSA-N	404.518	3.884	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)C1	747210076	AXLIXEAOTZHCIJ-CQSZACIVSA-N	422.407	3.927	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCNC(=O)Cc2cccc(F)c2)c1C	748767545	QNNVTDMAIMMGRV-UHFFFAOYSA-N	407.489	3.630	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1cccc(F)n1	749111369	MVLJEXCXSXAZPZ-UVTDQMKNSA-N	421.544	3.580	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1nccn1CCCc1ccccc1	751611195	CAVOCYFTXVLYCN-UHFFFAOYSA-N	405.546	3.890	10	20	HHCD	
O=C(CSc1ccccc1C(=O)N1CCS[C@@H]2CCCC[C@@H]21)N1CCCC1	752487212	POCZYSSYVUBBLD-PKOBYXMFSA-N	404.601	3.901	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1)C1CCCCC1	753044869	BSTJYFBMPNXDSE-FQEVSTJZSA-N	407.562	3.929	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCCC4)c(F)c3)CC2)cc1F	753878708	IAMQOQSGTIVPFG-UHFFFAOYSA-N	416.472	3.928	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC(=O)Nc2cc(Cl)ccc2OC)c1	756639236	ZGDLHPCCGFPZAF-GFCCVEGCSA-N	406.866	3.520	10	20	HHCD	
Cc1cc(CN[C@@H](C)c2cc(Br)cc(Br)c2O)ncn1	756777571	ZWKHAPWBNZGJEL-VIFPVBQESA-N	401.102	3.866	10	20	HHCD	
Cc1cc(C(=O)NCCCO[C@H]2CCOC2)c(C)n1-c1cccc(Br)c1	756990163	PAYGYJLLLOXHGD-SFHVURJKSA-N	421.335	3.782	10	20	HHCD	
O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)NCc1ccccc1O	757054450	ZCHNKHQFXYLJSV-UHFFFAOYSA-N	403.788	3.728	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	757837173	PCPYCOIJSZQSGF-SFHVURJKSA-N	423.504	3.795	10	20	HHCD	
Cc1nn2cc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)cnc2c1Cl	758162294	JMAQEHXWAQPJKS-UHFFFAOYSA-N	407.666	3.504	10	20	HHCD	
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	759104222	HSKGTADRPGTUTJ-UHFFFAOYSA-N	421.494	3.853	10	20	HHCD	
O=C(NCCCSc1nccs1)NCCC1CCN(CC(F)(F)F)CC1	759583882	LJBDUFPRVWNDBS-UHFFFAOYSA-N	410.531	3.589	10	20	HHCD	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	759594962	OUICICKYJYIVLR-HYXAFXHYSA-N	410.253	3.620	10	20	HHCD	
C[C@@H](c1ccccc1)n1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1	760077476	MTULHRMGDDRSIN-IBGZPJMESA-N	419.529	3.993	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc(OCCOC)cc1	760440239	KKHALEUIPOYLNZ-UHFFFAOYSA-N	422.319	3.771	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C	760890398	YEGCNHWVXRYWFO-UHFFFAOYSA-N	421.545	3.534	10	20	HHCD	
COc1ccc([C@@H](C)CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1	761220051	SQXCPMJREJBJMI-KRWDZBQOSA-N	400.519	3.647	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](CO)COC(C)C)c(C)n1-c1cccc(Br)c1	762541876	OKXRVWKSMRXQMM-GOSISDBHSA-N	423.351	3.715	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H](C)C2)c(C)n1-c1ccc(C(C)C)cc1	762652003	LDFCPCRVPDDLFZ-MRXNPFEDSA-N	402.560	3.724	10	20	HHCD	
COc1cccc(CN[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)c1O	766086684	FOPGZKAKBZUYHF-KRWDZBQOSA-N	419.319	3.757	10	20	HHCD	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(-c2sc(C)nc2C)cs1	766743239	GNKOQLAJWZIDJV-UHFFFAOYSA-N	411.578	3.543	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCCC[C@H](S(C)(=O)=O)C2)cc1)C1CCCCC1	767781482	NPBPRGIMRHNXEG-NRFANRHFSA-N	421.607	3.564	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cnc(-c2ccccc2)s1	768970467	UWWFEQUYMSDTTB-UHFFFAOYSA-N	404.542	3.504	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC([C@@H](O)C(F)(F)F)CC2)ccc1N1CCCCC1	769516041	YAIALELTGWLYTR-GOSISDBHSA-N	401.429	3.720	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc([C@@H](C)CCC(C)(C)C)n3)CC2)cc1	771069484	VWBCHOVNMNZURJ-KRWDZBQOSA-N	414.550	3.899	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cccc(I)c2)c(C)c(C)c1O	775294996	YEMVIFZYZPQNGH-UHFFFAOYSA-N	417.268	3.723	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2c(F)cc(F)cc2Br)c1	775373778	XECKQEPIZJHJPT-SECBINFHSA-N	415.234	3.731	10	20	HHCD	
C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)c1ccc(N(C)C)cc1	775403499	JTHZOLRIPVFORK-CQSZACIVSA-N	424.526	3.587	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCS[C@H]2COCC[C@@H]21	775737068	OIOHCTFAWAMWTK-STQMWFEESA-N	423.170	3.624	10	20	HHCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1	778750737	CJDSQIQYCFHMKM-PGRDOPGGSA-N	421.557	3.570	10	20	HHCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cc2c(cc1Br)OCCO2	779498465	HATDJLJBROQNSN-JOAKQRRISA-N	420.259	3.522	10	20	HHCD	
COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1	782180334	VRIGCAVTXQTBJQ-MHWRWJLKSA-N	403.456	3.783	10	20	HHCD	
CCc1nc2cc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)ccc2o1	783316822	NOGVZUAMOBRKBH-UHFFFAOYSA-N	408.502	3.832	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1F	784704561	ZZPPBYGABIHJFD-UHFFFAOYSA-N	408.477	3.922	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc([N+](=O)[O-])ccc1O	786952633	GHSPBTLNODNOFI-TZMCWYRMSA-N	406.280	3.992	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)c(Br)cc1F	788065423	DECPLBPLKKQBBU-UHFFFAOYSA-N	422.659	3.951	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCC[C@H]1Cc1ccccc1	788933502	WMBUJDQJKHNBPA-QHCPKHFHSA-N	405.542	3.527	10	20	HHCD	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	789938191	PDFDHRJECWGZOB-FQEVSTJZSA-N	408.608	3.780	10	20	HHCD	
CN(C)c1ccc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1	790160934	WNKNFCMOYZBWBS-DEOSSOPVSA-N	409.574	3.959	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc4c3OCC[C@H]4OC)CC2)cc1	790572190	UUOXCZZCNWYOAD-OAQYLSRUSA-N	411.502	3.956	10	20	HHCD	
CN1CCC(Oc2ccc(CNCc3cc(Cl)cc([N+](=O)[O-])c3O)cc2)CC1	790637125	ULFZKPJXEXMVNR-UHFFFAOYSA-N	405.882	3.717	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	792703214	QJCHZHWASBFTAB-UHFFFAOYSA-N	419.278	3.586	10	20	HHCD	
COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(O)c1	794387744	LFKZMSBCIDDIOF-QGZVFWFLSA-N	423.296	3.629	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cs1	796831208	YSLYGPVRMIZQNJ-UHFFFAOYSA-N	408.527	3.748	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCc4cnn(C)c4C3)c2C)cc1	798763483	PGRMPSWAMGPJGZ-SFHVURJKSA-N	405.498	3.667	10	20	HHCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccc(F)cc1	800047818	QJBHFLUGJFWRRV-UHFFFAOYSA-N	421.881	3.861	10	20	HHCD	
Cc1cc(=O)n(C)cc1NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800547036	UFAWDKIXOPJZER-AWEZNQCLSA-N	402.926	3.905	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccn1	804705043	RAKJPBONOPWVTP-HXUWFJFHSA-N	407.470	3.567	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccccc2Cl)cc1F	804852139	AJIIVQTYUHWNIC-UHFFFAOYSA-N	405.901	3.600	10	20	HHCD	
CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)N(C)Cc3ccccc3O)sc2C1	806855251	DVBUSXSAMVIIGW-HNNXBMFYSA-N	415.559	3.987	10	20	HHCD	
O=C(c1ccoc1)N1CCC(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	915229143	WAJJDJMALZWIBT-UHFFFAOYSA-N	412.490	3.573	10	20	HHCD	
C[C@@H](c1ccccc1)n1cnn(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=S	917421535	XJFHNPZPQFNODX-IBGZPJMESA-N	423.586	3.949	10	20	HHCD	
COc1ccc(Cl)cc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	917709827	GGMJSXJSAQPNGR-GASCZTMLSA-N	420.912	3.960	10	20	HHCD	
CCNC(=O)COc1cccc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1	917780322	CITJDLFZENRQIH-UHFFFAOYSA-N	405.498	3.539	10	20	HHCD	
CC(C)c1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	917837212	VLQBQKQZJBXNHL-WIYYLYMNSA-N	423.557	3.595	10	20	HHCD	
C/C=C(/C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3O)CCC2)cc1	1791228044	KSNPFLONLIUNQG-DBYREVGKSA-N	422.481	3.917	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1	10962777	SZCKIQCPBNTDTB-UHFFFAOYSA-N	419.525	3.598	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)c(C)n1-c1ccc(F)cc1	72054145	IWNQRUDVDOLXAS-LJQANCHMSA-N	403.523	3.521	10	20	HHCD	
COc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	98071457	HAEATAXBXNBOTP-QHCPKHFHSA-N	424.541	3.714	10	20	HHCD	
CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)c1C	106129175	IHBFNGNNPDMGJK-UHFFFAOYSA-N	420.513	3.696	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCCOC3CCCC3)cc2F)C[C@@H](C)O1	145257068	SFYWMENIEWKKKI-IAGOWNOFSA-N	407.530	3.588	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1F	302989941	FUCWMYFTEJRJSK-UHFFFAOYSA-N	413.884	3.933	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](OCc4ccccn4)C3)ccc21	474068009	PTSLIUBZLQSBEA-OAQYLSRUSA-N	407.514	3.731	10	20	HHCD	
COCCOc1cccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)c1	544436174	HDCFUSLHSBJVBP-UHFFFAOYSA-N	421.478	3.645	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1	727225540	DVPRTYNRANEFQJ-UHFFFAOYSA-N	423.605	3.776	10	20	HHCD	
COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1	727246706	UQMSOAYGEIJEHE-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccnc2-n2ccnc2C)cc1F	731403816	XADGHQNXUBUMBY-UHFFFAOYSA-N	410.497	3.560	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cc1	732235254	QFKMNXOLCWXDKK-MRXNPFEDSA-N	417.351	3.593	10	20	HHCD	
COc1ccc(N2CCN(Cc3csc(-c4ccc(O)c(OC)c4)n3)CC2)cc1	732807198	MEDDLFPBPGUBSV-UHFFFAOYSA-N	411.527	3.855	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1	734669787	AMZFWFLDBSNQJQ-HXUWFJFHSA-N	424.589	3.760	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1nc2ccsc2s1	735577359	QDHXVKJWIZBTTO-UHFFFAOYSA-N	402.545	3.888	10	20	HHCD	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	736322292	LDWIUVFMRNEINP-HZPDHXFCSA-N	400.504	3.548	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	741543667	DRECYVMUGCQXNX-GOSISDBHSA-N	423.557	3.790	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)CCC2CCOCC2)NC(=O)OC(C)(C)C)cc1	742755090	VQSQKUCDPDNYRO-HXUWFJFHSA-N	419.566	3.641	10	20	HHCD	
COc1ccc(OC)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742799426	AHMRDKSZDMYJBW-AWEZNQCLSA-N	406.429	3.704	10	20	HHCD	
Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800919	MUYMLURQAWKFES-MRXNPFEDSA-N	414.456	3.731	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]c2c1C(=O)CCC2	742801413	YZPPVGOQEIZIHP-CQSZACIVSA-N	417.456	3.842	10	20	HHCD	
C[C@@H]1CCCCN1[C@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743535008	NCGSOGRFDLMBBQ-KURKYZTESA-N	424.536	3.819	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3nc4c(C)cccc4o3)CC2)cc1	743709038	QQOPNNYPDFUTAW-UHFFFAOYSA-N	408.502	3.656	10	20	HHCD	
CCN(CC(=O)NCc1cc(F)cc(F)c1)Cc1cc(Br)ccc1O	743872893	DWOQPMJHCQVBLA-UHFFFAOYSA-N	413.262	3.571	10	20	HHCD	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1/SC(N2CCOCC2)=NC1=O	747148158	NTFBYVCKKXTERD-WOJGMQOQSA-N	416.934	3.504	10	20	HHCD	
CC(=O)N[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	748123977	ZUSWTAMKUVLHTN-NSHDSACASA-N	411.285	3.651	10	20	HHCD	
CSc1nc2ccc(NC(=O)C(=O)NCCCSc3nccs3)cc2s1	749730394	OHVDJAQDNJCQMM-UHFFFAOYSA-N	424.598	3.712	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(Cn3ccnc3)c2)cc1	750875292	SOXZGQIPVVEYRP-XMMPIXPASA-N	418.541	3.819	10	20	HHCD	
CC1(C)CCCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1	751067500	MFHLQMZDCBYPLF-UHFFFAOYSA-N	408.545	3.907	10	20	HHCD	
COc1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c(OC)c1OC	751306260	QVWKXQOQGNCTHU-UHFFFAOYSA-N	404.426	3.674	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)c1	751325612	LAXAMAATOSOHHT-SECBINFHSA-N	406.287	3.756	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(Br)cn(C)c2=O)c(C)n1-c1ccc(F)cc1	751420018	VEIMLEMLMFRIJQ-UHFFFAOYSA-N	418.266	3.947	10	20	HHCD	
COC(=O)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1F	751930204	GILYBMPRHKEVKL-GOSISDBHSA-N	400.431	3.526	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(c3ccc(OC(C)C)cc3)C2=O)c[nH]1	753137811	KJSXCXBGWYKOLG-SXGWCWSVSA-N	402.497	3.994	10	20	HHCD	
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(C(=O)CCC(=O)O)cc1	755984480	KPLOHNHUUMQHFF-UHFFFAOYSA-N	405.472	3.672	10	20	HHCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	756918368	OMBVXNKDJKOSFH-MJGOQNOKSA-N	404.555	3.587	10	20	HHCD	
COc1cc(O)c(CNCCC(=O)Nc2ccc(Br)cc2C)cc1OC	757908832	ULRAERGVQYSKFL-UHFFFAOYSA-N	423.307	3.599	10	20	HHCD	
CCOc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1	759504883	RNVMTSGJCCIEPQ-UHFFFAOYSA-N	421.900	3.979	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N=c2cc[nH]cc2I)cc1	759635235	LKLUXAIGYBVFMH-UHFFFAOYSA-N	417.250	3.768	10	20	HHCD	
Cc1ccc(C(C)(C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1	760094395	KYIBDLNYMZVROS-IRXDYDNUSA-N	414.525	3.877	10	20	HHCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl	761994686	CPWVPPYDPYAIER-UHFFFAOYSA-N	420.270	3.985	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Cl)cc1Br	764256509	HWDNBAOAMFAEQW-UHFFFAOYSA-N	424.726	3.732	10	20	HHCD	
COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	765838091	HAHMEVOZFCWTNH-HNNXBMFYSA-N	402.800	3.971	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccn(-c2ccc(F)cc2F)n1	766630974	IQRUSSFFJCPKEG-UHFFFAOYSA-N	414.481	3.634	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](CO)c1ccc(Br)cc1	768036753	VCOZXMJKNPBWHF-LJQANCHMSA-N	418.335	3.582	10	20	HHCD	
COc1cc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(O)cc1C	768440312	QEDZRARISAPHNV-UHFFFAOYSA-N	408.420	3.686	10	20	HHCD	
C[C@@H](C1CC1)N(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CC1	769693619	QTPOPRQKAGSNCW-LBPRGKRZSA-N	406.529	3.658	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cc(C)n(-c4ccccc4)n3)CC2)cc1	772578949	OSIVLFVKFDEZLP-UHFFFAOYSA-N	405.502	3.934	10	20	HHCD	
C[C@@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cc(Cl)c(Cl)cc1O	774381408	NEQUKSIPIGRWTA-LLVKDONJSA-N	409.379	3.942	10	20	HHCD	
C[C@@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)[C@@H]1C	774758755	REXRKIZMCPYPSM-JBYIUTFZSA-N	411.546	3.815	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	777822650	JMGQBTWXZHWQDC-QAPCUYQASA-N	420.431	3.893	10	20	HHCD	
O=S(=O)([C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1)N1CCc2ccccc21	779608500	UKCBNHJILSFRBK-KRWDZBQOSA-N	424.925	3.542	10	20	HHCD	
COc1cccc(CNC(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)c1O	780983678	GAUDPOCBACRPRH-NRFANRHFSA-N	407.466	3.720	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(F)c(F)c(O)c2F)cc1	781084397	NUCKJJJKTAZCRT-HNNXBMFYSA-N	408.420	3.697	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21	783316751	LCPGSHGZRLFMNA-OAQYLSRUSA-N	420.557	3.505	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(F)ccc2OCCOC)cc1	786842292	VYIDBILIPMGZGU-UHFFFAOYSA-N	424.538	3.518	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2CSc3ccc(Br)cc32)c1O	787394078	DHSWGJVJKNBEQR-CYBMUJFWSA-N	409.305	3.810	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(F)c(Br)cc1OC	790418595	WYPWBKVOKSERLB-UHFFFAOYSA-N	404.257	3.666	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1C(F)(F)F	790537889	BBSOZXCZWDPQSW-UHFFFAOYSA-N	409.408	3.872	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1	790773515	YURMTISWYUNOOW-LIRRHRJNSA-N	407.297	3.877	10	20	HHCD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	792591559	MCWLIPAVFBYNAV-HLAWJBBLSA-N	419.569	3.994	10	20	HHCD	
CN(C)c1ccc(CNCc2ccccc2CS(C)(=O)=O)c(C(F)(F)F)c1	793003929	IKTUBVDCRCGTKL-UHFFFAOYSA-N	400.466	3.606	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(O)c1	794379863	YFZONOLBZZIKEX-CQSZACIVSA-N	422.441	3.807	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc2ccccc12	795848496	LVPCDKUNQLHYPL-UHFFFAOYSA-N	416.568	3.589	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(Br)ccc2-n2cccn2)c(O)c1	797625410	QVBRNZBAOOLFQW-UHFFFAOYSA-N	417.263	3.671	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCOC[C@H]3CCCO3)cc2Cl)C1	799929258	QSPBNMBJUIFOTP-SJLPKXTDSA-N	409.958	3.571	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	801962869	VBVZNDCZYXGIGJ-JOCHJYFZSA-N	411.546	3.605	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(-c2ccc(Br)cc2)cn1	808096865	JNKWVTKGQQZGDA-UHFFFAOYSA-N	421.291	3.756	10	20	HHCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1cccc(C2CCC2)c1	812994530	NCKYOOWMNSQPDF-UHFFFAOYSA-N	413.543	3.511	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CSC(c2ccccc2O)=N1	816826133	XMFGSENBEXEOSX-FQEVSTJZSA-N	409.555	3.903	10	20	HHCD	
CCCCn1cc(C(=O)Nc2ccc(N3CCC(O)CC3)cc2OCCC)c(C)n1	819518744	CFXBFYXPQVGQCQ-UHFFFAOYSA-N	414.550	3.994	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H]2CCC(=O)N(C)C2)c(C)n1-c1cccc(Br)c1	820402366	JZMSRMMZIXPCNV-KRWDZBQOSA-N	418.335	3.549	10	20	HHCD	
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	914439692	NCDWXGXOYNIVJO-XMMPIXPASA-N	405.542	3.780	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1	914880249	ZIWKXSKJWXWPSY-INIZCTEOSA-N	401.938	3.963	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(Cc3ccccc3)CC2)c1	915791830	KKWUDFCJRCVWNA-UHFFFAOYSA-N	422.569	3.882	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1	915895215	XCZRUFFEHBJMMM-DEOSSOPVSA-N	424.589	3.575	10	20	HHCD	
CCOc1ccc(NC(=O)CNC(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1	920343441	YQIXUHAHAIANAE-UHFFFAOYSA-N	412.534	3.712	10	20	HHCD	
CCn1cc(-c2nn(C)cc2C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cn1	1320579226	XSFPVMPWABLJBN-UHFFFAOYSA-N	418.526	3.938	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S	40006428	MDJAFUGWILULBA-SXGWCWSVSA-N	403.456	3.691	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)N(C(N)=O)CCC4)ccc21	427953767	WXWQKKLKAMFOKY-UHFFFAOYSA-N	420.513	3.988	10	20	HHCD	
COc1ccc([C@H](NCC(=O)NCc2ccc(N(C)C)cc2)c2ccccc2)cc1	727242469	UDEXFWTYIQZQMF-RUZDIDTESA-N	403.526	3.757	10	20	HHCD	
CCCOc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)cc1	727361005	AEDLEFVVNZCQDQ-UHFFFAOYSA-N	414.531	3.587	10	20	HHCD	
O=C(CCc1ccccc1OC(F)(F)F)NCc1ccc(N2CCOCC2)cc1	727374827	PKJXRGAQWKZIME-UHFFFAOYSA-N	408.420	3.671	10	20	HHCD	
COc1cccc(CNC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1O	729551630	JFEUMRXDINTEFJ-HZPDHXFCSA-N	411.502	3.841	10	20	HHCD	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	731851789	DHEQPHFLCCEQDA-INIZCTEOSA-N	404.854	3.740	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c(C)n1-c1cccc(Cl)c1	732780243	ITUNEPBERJNSOP-LJQANCHMSA-N	414.981	3.646	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cc(OC)ccc3OC(F)F)SC2=S)cn1	733001925	VCDQKWHYXIIJGU-AUWJEWJLSA-N	411.455	3.919	10	20	HHCD	
O=C(NCCCO[C@H]1CCCc2ccccc21)NCc1ccc(N2CCOCC2)cc1	733848120	LHJUVJVWJNAFMH-DEOSSOPVSA-N	423.557	3.807	10	20	HHCD	
CCCOc1c(Br)cc(C(=O)NCc2cc(OC)ccc2O)cc1OC	734017015	XCFOQUAGZHYJAE-UHFFFAOYSA-N	424.291	3.891	10	20	HHCD	
O=C(CCCc1ccc2nc(O)[nH]c2c1)N(Cc1ccccc1O)C[C@H]1CCCO1	735517456	BVPLAQQNPXSQCT-GOSISDBHSA-N	409.486	3.505	10	20	HHCD	
CC(C)CCNS(=O)(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1	736287085	ULFXUIQKFYLJDK-UHFFFAOYSA-N	402.564	3.618	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)cc1	742497395	HSVGMSJQBYAVFQ-UHFFFAOYSA-N	413.518	3.781	10	20	HHCD	
CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccc(Cl)cc1	746138190	AQCDTSYEOHJJEU-UHFFFAOYSA-N	401.938	3.519	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1	747450334	PPBVRVGQYAPIEK-QZTJIDSGSA-N	409.530	3.700	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)C[C@H](O)C2CC2)sc(C)c1-c1ccccc1	747656136	FXBUDXKUDXPLCJ-KRWDZBQOSA-N	416.543	3.541	10	20	HHCD	
CCCCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C1(C)C	752916880	VYRZXTDDFCYPRU-RTWAWAEBSA-N	403.567	3.648	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C[C@@H]3CCOC3)C3CC3)c2C)cc1	754639000	MYLBPOGXNCEFKD-SFHVURJKSA-N	410.514	3.564	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C)C3CCC(OC)CC3)c2C)cc1	754653350	QKCNQOGOYCAWSB-UHFFFAOYSA-N	412.530	3.953	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c1	756756923	AOZNISKAPHHXTQ-KGLIPLIRSA-N	411.420	3.699	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3nc4ccc(F)cc4s3)CC2)cc1	758300092	DPXUPNCHNLUARD-UHFFFAOYSA-N	414.550	3.746	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)[C@H](O)c1c(F)cccc1Cl	759600446	FVPVBKJAMYLRNV-HZMBPMFUSA-N	403.932	3.839	10	20	HHCD	
COc1ccc([C@@H](C2CC2)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	760971896	AQPVHORELXJWPZ-HXUWFJFHSA-N	400.862	3.970	10	20	HHCD	
Cc1cc(CC(=O)N[C@H](CCO)C2CCOCC2)c(C)n1-c1ccc(Cl)cc1	764404150	GDZPQWSSZBBRJX-OAQYLSRUSA-N	404.938	3.584	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(Br)c2O)c(C)n1Cc1ccccn1	765765456	RSCQGUUWZHLPNN-UHFFFAOYSA-N	414.303	3.946	10	20	HHCD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)Cc1cc(Cl)ccc1O	768163250	MFOULFKXWCKDGX-UHFFFAOYSA-N	403.866	3.734	10	20	HHCD	
Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1[N+](=O)[O-]	768911691	HCJCMRSGXPALTK-KRWDZBQOSA-N	403.866	3.657	10	20	HHCD	
OCC[C@@H](NCc1cc(Br)cc(Br)c1O)c1ccco1	769557554	SLKBGMSVZUVDGV-GFCCVEGCSA-N	405.086	3.724	10	20	HHCD	
CC(C)[C@@H](CCN(C)Cc1ccc(N2CCOCC2)cc1)NC(=O)OC(C)(C)C	770284445	QQNIBDAENKFPAK-OAQYLSRUSA-N	405.583	3.894	10	20	HHCD	
O=C(Cc1cc(F)c(F)cc1F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771055688	CKPHUZZJDRBRIY-HNNXBMFYSA-N	412.839	3.786	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1	775357824	DPUQMSMTXQEKNA-UHFFFAOYSA-N	405.539	3.502	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nn1-c1ccccc1Cl	776467526	NRMYRUYIEYRNSK-UHFFFAOYSA-N	410.905	3.601	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(CN3CCN(C(C)=O)CC3)cc2)cc1F	777440114	UIZQMJZMJUDODF-UHFFFAOYSA-N	412.553	3.948	10	20	HHCD	
COCC(=O)Nc1cccc(CN[C@@H](C)c2cc(Br)cc(C)c2O)c1	779004371	VUCJNZMGNQPLDJ-ZDUSSCGKSA-N	407.308	3.899	10	20	HHCD	
CS(=O)(=O)c1cccc([C@@H](NCc2cc(F)ccc2O)c2ccc(F)cc2)c1	779120796	MBBIKTWFMJOZHX-NRFANRHFSA-N	403.450	3.953	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2F)C[C@@H](C)O1	780609481	UFJOFAIMVMKGAM-KFWWJZLASA-N	417.481	3.603	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1F	781686581	UGDVOPOFPOCFQI-UHFFFAOYSA-N	418.425	3.737	10	20	HHCD	
Cc1cc(C(=O)CN(C)CC2(O)CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1	781965765	BWBGXIPNZWOWKI-UHFFFAOYSA-N	424.463	3.769	10	20	HHCD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1	782214366	ZZXBLUKDMGEREJ-UHFFFAOYSA-N	420.538	3.974	10	20	HHCD	
Cc1ccnc(OC2CCN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1	782505451	GQXUJYZAHIELMD-IBGZPJMESA-N	424.545	3.541	10	20	HHCD	
C[C@H]1[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCN1C(=O)OC(C)(C)C	786250440	GRBNVSVGZRYFLC-FXAWDEMLSA-N	401.551	3.939	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc3ncsc3c2)cc1	788953044	YJNSQGGCUGXPCU-HNNXBMFYSA-N	410.543	3.636	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)C2CC2)cc1	792229124	WOMAVQUGQWAAIM-QFIPXVFZSA-N	406.574	3.949	10	20	HHCD	
COc1cccc(C(=O)CCCC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	794376290	WLQVGXPIESYSBD-UHFFFAOYSA-N	414.477	3.545	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N(CCc1ccccn1)Cc1cccnc1	797463175	GHNBSHNJYMABDP-UHFFFAOYSA-N	413.525	3.807	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)c(C)n1-c1ccccn1	797699715	DYQYSEWZBXCPOM-IBGZPJMESA-N	402.498	3.614	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c(=O)n1C	799982426	DLPBKXFDJGRBRH-HNNXBMFYSA-N	416.953	3.583	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(C(=O)N(C)C)CC3)cc2Cl)C1	800048911	JXJHOMQCKOPRDT-MRXNPFEDSA-N	420.985	3.586	10	20	HHCD	
Cc1nc(C)c(CCC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c(O)n1	800049237	NHFMPTUHNHXJBJ-AWEZNQCLSA-N	416.953	3.938	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@H](C)NC(=O)c3ccoc3)cc2Cl)C1	800345024	ZWTYKVMJJQQEHC-GJZGRUSLSA-N	403.910	3.604	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1	802079175	COURFFDATZHSQF-KOSHJBKYSA-N	421.545	3.757	10	20	HHCD	
Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	804346379	SFZXJFGUTLWCQH-UHFFFAOYSA-N	417.531	3.705	10	20	HHCD	
CC[C@@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1O	806148905	ZEWYZPFDLBDMAG-MRXNPFEDSA-N	407.363	3.696	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)N(CC)Cc1cc(Br)ccc1O	806967323	BQWNNEUKYXYAQP-UHFFFAOYSA-N	400.313	3.873	10	20	HHCD	
COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	809696889	TWWRXKCNCWDYAB-SFHVURJKSA-N	415.412	3.513	10	20	HHCD	
COc1c(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)oc2ccccc12	809725560	WEGRPCVVKPHEEX-UHFFFAOYSA-N	423.513	3.561	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Br)c1	812477308	IVNMFKQBBXSVNT-CQSZACIVSA-N	421.310	3.845	10	20	HHCD	
CCOc1ccc([C@H](O)C2CCN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1	812482177	GZYWAKMURMFJTH-QFIPXVFZSA-N	416.474	3.961	10	20	HHCD	
COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1	812562356	RDAMYNDSSPWZIY-UHFFFAOYSA-N	402.497	3.863	10	20	HHCD	
CC(C)C(=O)Nc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccn1	815153706	WLZNCOAHVGOUDS-NRFANRHFSA-N	424.545	3.564	10	20	HHCD	
Cc1nc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)sc1C	822086492	UWKNEINJILPYRH-UHFFFAOYSA-N	407.407	3.696	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c(C)n1-c1ccccn1	914907244	TYDBWEZWJGAQQO-UHFFFAOYSA-N	411.889	3.658	10	20	HHCD	
Cc1cc(CC(=O)NCC(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	915183508	XDBGIRKMCBJKPB-UHFFFAOYSA-N	409.917	3.723	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2COCCO2)c(C)n1-c1cc(Cl)cc(Cl)c1	915416257	JHWCJARYQHDYOQ-SFHVURJKSA-N	412.269	3.542	10	20	HHCD	
Cc1nc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2c3c(sc2n1)CCC3	917391491	WHMHYSBJVJDDBK-INIZCTEOSA-N	421.570	3.802	10	20	HHCD	
C[C@@H](NC(=S)Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(N2CCOCC2)cc1	920864541	YSWOWHUMZTYFHZ-CYBMUJFWSA-N	421.469	3.892	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncoc1[C@@H]1CCCO1	1116143052	JWTXWDWSSIBIFK-CJNGLKHVSA-N	407.417	3.526	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1c(F)cccc1NS(C)(=O)=O	1116242640	WZEIXRRGEHSSRE-UHFFFAOYSA-N	421.519	3.596	10	20	HHCD	
CC(C)CC(=O)N1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	1318019570	MFWLPDRBOLAFMM-UHFFFAOYSA-N	414.594	3.855	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1)c1cc(O)nc(O)c1	1788426328	GQNQDZRCZKQWJY-UHFFFAOYSA-N	409.486	3.821	10	20	HHCD	
Cc1cccc2c(=O)n(CCC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cnc12	27157655	PMOMSPYIXVEWKF-UHFFFAOYSA-N	418.541	3.744	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2nc1N1CCCC1	301875272	JZNSJGAEMKDCIT-UHFFFAOYSA-N	403.530	3.703	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CN(C)C[C@@H]3c3ccccc3)ccc21	497403434	HDJIYAAXFGCXHY-DHIUTWEWSA-N	405.542	3.732	10	20	HHCD	
CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728197456	CVBRYCLFVIXTJK-PKOBYXMFSA-N	424.541	3.846	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)ccc2I)c1	729535897	WIKNOHBYBVHEIZ-SECBINFHSA-N	415.202	3.636	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1Br	730568857	ADOAUIDABQYGBS-UHFFFAOYSA-N	418.244	3.668	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C1	731206439	HPYSTRBZKYOVJO-AWEZNQCLSA-N	411.487	3.518	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	731282306	LKXKOFDOUQDCEM-KRWDZBQOSA-N	405.539	3.961	10	20	HHCD	
CC(C)OC(=O)Cc1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cs1	731844937	RUIWBKSLQBZWJZ-GOSISDBHSA-N	404.532	3.524	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)C2CC2)cc1	732269881	WTCIANCYTIMZMC-UHFFFAOYSA-N	406.442	3.719	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	734526916	XMPSVRSRJDCQLS-PZJWPPBQSA-N	408.546	3.552	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccnc(-n3cccn3)c2)cc1	739506803	GLNDSUGOKHHRIA-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
C[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)C(F)(F)F	742755853	YKBNVYQZRJZEHB-SWLSCSKDSA-N	403.445	3.633	10	20	HHCD	
C[C@@H](NC(=O)N(CCO)[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	749557315	DFDLFRCSJJTLPQ-NTKDMRAZSA-N	423.557	3.666	10	20	HHCD	
CC(C)c1nsc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1	750017767	NCDWPJZXMRGJQR-UHFFFAOYSA-N	413.526	3.529	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3nc(-c4cccc(Cl)c4)no3)cc2)C1	750604512	AIUZUUMNMGZGBA-MRXNPFEDSA-N	411.893	3.704	10	20	HHCD	
Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751930420	FCQFSHNMBXJHGJ-ZDUSSCGKSA-N	413.474	3.948	10	20	HHCD	
CC[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NCc1ccccc1	751931852	UHHQWEIFXIAXHR-LJQANCHMSA-N	409.511	3.568	10	20	HHCD	
COc1cc(CN2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(O)c(C(C)(C)C)c1	754740933	NDTWPZVZXMOLKE-DNVCBOLYSA-N	422.566	3.812	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)c1	756382195	AALWKVKJJASIMR-KSZLIROESA-N	412.530	3.639	10	20	HHCD	
C[C@H](NCc1ccccc1OCCN1CCOCC1)c1cc2c(cc1O)CCCC2	756480688	TYLKSJKTQKYLPS-IBGZPJMESA-N	410.558	3.833	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CN[C@H](C)c2cc(Br)cc(F)c2O)c1	756587492	ANRYRIYOEXXXMD-BMLIUANNSA-N	414.271	3.695	10	20	HHCD	
Cc1nc(NC2CC2)sc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	757763749	SBDAVOILQNWXCI-IBGZPJMESA-N	414.575	3.913	10	20	HHCD	
C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	758449919	OMKCYMYJTLOUGB-INIZCTEOSA-N	424.536	3.629	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCCSc1nccs1	759586191	ZUDPCPLAACQBOU-AEFFLSMTSA-N	404.605	3.835	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H](C)[S@@](=O)CC2)c(C)n1-c1ccc(F)c(Cl)c1	759871389	URUHOSWLPQUYRO-ASHKIFAZSA-N	410.942	3.912	10	20	HHCD	
C[C@H]1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCS1(=O)=O	760789215	GIRGNZOEZZNWAE-INIZCTEOSA-N	414.531	3.817	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1	761977342	SBUOWPSSYSDRMS-UHFFFAOYSA-N	404.669	3.812	10	20	HHCD	
Cc1ccc2nc([C@H]3CCCN(CC(=O)N(C)Cc4ccc(N(C)C)cc4)C3)[nH]c2c1	762357334	JWPNCIOVZZSKCU-FQEVSTJZSA-N	419.573	3.775	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccccc1N1CCCC1=O	765233302	HJQRARVRPJCZGS-UHFFFAOYSA-N	404.264	3.603	10	20	HHCD	
O=C(COc1ccccc1NCc1ccc(N2CCOCC2)cc1)Nc1cccnc1	767196334	UPGYTDLJQBNIST-UHFFFAOYSA-N	418.497	3.548	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CCCc2sccc21	768259083	YGCCZMBYHFGXOP-GOSISDBHSA-N	403.523	3.725	10	20	HHCD	
COc1ccc(Cl)cc1C[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768448690	WIGXJMBBTATEOP-VBKZILBWSA-N	403.906	3.935	10	20	HHCD	
COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	769282153	LQVMMEYINRIWNB-LJQANCHMSA-N	400.475	3.625	10	20	HHCD	
CCN(CC)CCSCC(=O)N(CC)Cc1cc(Br)ccc1O	769291147	KHLFIALONHKJEX-UHFFFAOYSA-N	403.386	3.578	10	20	HHCD	
Cc1cc(C(=O)NCCSCCCO)c(C)n1-c1ccccc1Br	769291924	PEULINVETHCVGB-UHFFFAOYSA-N	411.365	3.702	10	20	HHCD	
COc1ccc(C[C@H](C)CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1F	769542319	ZKGWVXXKMRBQHX-PXNSSMCTSA-N	413.537	3.504	10	20	HHCD	
Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(NS(C)(=O)=O)ccc2O)s1	769735662	WVODUVVIJLMGEI-UHFFFAOYSA-N	420.512	3.569	10	20	HHCD	
C[C@H]1CN(Cc2ccc(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1	773207999	FDITZAFETLIQFR-HSALFYBXSA-N	424.589	3.922	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cn3)cc2)CC1	773246134	ZHYDDHCZCPAXEL-UHFFFAOYSA-N	420.435	3.592	10	20	HHCD	
COCCC1(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCCCC1	773721259	ONHDKZXYENVICS-UHFFFAOYSA-N	403.567	3.950	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](c2cccs2)N2CCC(C)CC2)c1O	774943972	YFZWBZUYVGUMMX-KRWDZBQOSA-N	405.520	3.933	10	20	HHCD	
C[C@H](Nc1ccccc1SCCC(N)=O)c1ccc(N2CCOCC2)c(F)c1	777679068	CNHROQNKJGTIIS-HNNXBMFYSA-N	403.523	3.803	10	20	HHCD	
COc1ccc(N2CCC(N[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C)CC2)cc1	779048628	QWZCAEBGCZTWOO-UWJYYQICSA-N	403.567	3.899	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(F)cc1	782588411	ANRSITRAHNKLFU-UHFFFAOYSA-N	422.504	3.731	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccnn2CC(F)F)c(C)n1-c1cccc(F)c1	789164909	ZOMYHIOXFDXTSD-UHFFFAOYSA-N	405.376	3.735	10	20	HHCD	
CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1cccc(O)c1O	792600315	FRFUJWBZAQIEOS-UHFFFAOYSA-N	400.475	3.655	10	20	HHCD	
O[C@H]1CCC[C@H]1N1CCC(NCc2ccc3c(c2)CCN3Cc2ccccc2)CC1	796320583	PWHYRJLMQNWIPA-FTJBHMTQSA-N	405.586	3.717	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(CCC(N)=O)CC3)cc2Cl)C1	799994492	MXVJLBLDGHJBDQ-MRXNPFEDSA-N	420.985	3.763	10	20	HHCD	
CCOc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1	800540573	KCMCQANNWPYJAK-FQEVSTJZSA-N	413.518	3.980	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@](C)(O)C(F)(F)F)cc2Cl)C1	800719895	PFFCTEAAYKPPLG-PXAZEXFGSA-N	407.864	3.689	10	20	HHCD	
CC(C)c1ccc(O[C@H](C)CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	804975330	KHIYVHJHPFDSQJ-LJQANCHMSA-N	411.546	3.913	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2ccncc2)cc1	807678150	VJULUIDUVQQEGM-QZTJIDSGSA-N	416.525	3.869	10	20	HHCD	
Cc1cc(CC(=O)NC[C@H](CO)Cc2ccco2)c(C)n1-c1ccc(Cl)cc1	914537461	JRMRAVHEZMURCD-QGZVFWFLSA-N	400.906	3.850	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccnc(-n4cccn4)c3)c2C)cc1	914762244	XSDUHBBPFICCCC-UHFFFAOYSA-N	401.470	3.613	10	20	HHCD	
COc1c(C)cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1C	915219434	XANYPMFXCJXIJM-UHFFFAOYSA-N	418.496	3.965	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	919368151	VERAXQIFNSEYMM-HZPDHXFCSA-N	400.441	3.623	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cc1	919807694	AUVOHWUOMNJZBK-AWEZNQCLSA-N	406.313	3.729	10	20	HHCD	
Cc1cc(-c2nnc([C@H](C(C)C)N3CCCS3(=O)=O)o2)c(C)n1-c1ccccc1	1117203789	LOXTZLYXITVEQM-IBGZPJMESA-N	414.531	3.877	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4F)c3C)CC2)cc1	1253443039	QTLKUNPRRFEIJE-UHFFFAOYSA-N	408.477	3.681	10	20	HHCD	
C[C@H](NC(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1)c1ccc(N(C)C)cc1	1255139442	FRQIQNOAGFPKCB-KSFYIVLOSA-N	406.530	3.971	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cn(-c2ccc(Br)cc2)nn1	1322367445	JNQIIJBPJGCANT-UHFFFAOYSA-N	415.291	3.788	10	20	HHCD	
CCCCC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1	1810550462	KSGKKSLBQQRQDU-KRWDZBQOSA-N	417.550	3.554	10	20	HHCD	
C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccc(N2CCOCC2)cc1	109180967	SWTYIILJHQGDRG-LJQANCHMSA-N	404.514	3.519	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1F	303747022	ASSLGCLKFIXFHF-FUHWJXTLSA-N	407.530	3.982	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](SC)[C@H](N4CCCC4)C3)ccc21	542769339	RFHBXMMYBYGNGP-YADHBBJMSA-N	415.603	3.556	10	20	HHCD	
Cc1c(CNS(=O)(=O)Cc2ccccc2Br)n(C)c2ccccc12	553541612	UVNHNOSPARRYOC-UHFFFAOYSA-N	407.333	3.869	10	20	HHCD	
CCC[C@H]1CCc2c(sc(=O)n2CN2CCN(c3ccc(OC)cc3)CC2)C1	728039597	OVYFRWWRJWCAJS-KRWDZBQOSA-N	401.576	3.603	10	20	HHCD	
Cc1ccc(F)c(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1	735084531	NWYQGOIZNUCTEO-UHFFFAOYSA-N	409.484	3.680	10	20	HHCD	
CCOC(=O)N1[C@H](C(=O)NCc2ccc(N(C)C)cc2C)CC[C@@H]1c1ccc(C)o1	736486335	SLMAMPGVDXNHHL-UXHICEINSA-N	413.518	3.941	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC[S@](=O)C(C)(C)C)cc1	741412061	KNZMUTDDNZENJN-NDEPHWFRSA-N	405.564	3.605	10	20	HHCD	
COc1ccc(Cl)c(NC(=S)NCc2ccc(N3CCOCC3)c(F)c2)c1	742986767	FYSBPOXOONJGBG-UHFFFAOYSA-N	409.914	3.811	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl	743184152	SHUCVPROFPRWOF-UHFFFAOYSA-N	423.922	3.618	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cc(OC)nc4ccccc34)CC2)cc1	743669728	CZNLRYXFUIWVBW-UHFFFAOYSA-N	420.513	3.720	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C12CCCC2	743703364	WKPVPBRQZAXMGU-NHCUHLMSSA-N	401.551	3.655	10	20	HHCD	
CCS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	745843368	FNRRHQUQJBYWBJ-UHFFFAOYSA-N	400.544	3.743	10	20	HHCD	
CN(CCOc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745906511	QQMHSRWRUQXQAW-KRWDZBQOSA-N	419.472	3.977	10	20	HHCD	
O=C1NCCN(Cc2c(O)ccc3cc(Br)ccc23)[C@@H]1c1ccccc1	748793694	CYEJQPYLGBADGB-HXUWFJFHSA-N	411.299	3.981	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(-c3csc(Cn4ccc(O)nc4=O)n3)c2C)cc1	749844110	HOQAGXIMNGCKKF-UHFFFAOYSA-N	422.510	3.927	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)c1C	750874450	JJUKMJUKSYZHGN-UHFFFAOYSA-N	423.494	3.581	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(N(C)C)cc1	751931509	QTMNSGFGKUFTLB-CQSZACIVSA-N	424.526	3.566	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)c(C)n1-c1ccccn1	752506556	FDHNXQHEAATXKS-MRXNPFEDSA-N	401.470	3.954	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@](=O)[C@H](C)[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	754649329	CXCBLFCKZTWDQO-KSIJVBBXSA-N	424.513	3.720	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ncc(C4CCCCC4)s3)ccc21	756099557	RESMFCCATYABMP-UHFFFAOYSA-N	412.559	3.828	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)c1cc(Br)cc(F)c1O	756398145	BZBKJIMTJARSMH-LLVKDONJSA-N	411.271	3.842	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)cc1	756456736	FGTACSUIYZSGCT-KSSFIOAISA-N	406.523	3.898	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(F)c(SC)c3)CC2)cc(OC)c1OC	759240373	LHGMCIBZTUGBQY-UHFFFAOYSA-N	420.506	3.536	10	20	HHCD	
CC(C)c1nc([C@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n[nH]1	763023071	TWRCWYUHDKYYSG-ZDUSSCGKSA-N	422.480	3.559	10	20	HHCD	
C[C@@H](Cc1ccc(F)cc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765278716	ASHMVYQNNYOBTB-SFHVURJKSA-N	423.511	3.802	10	20	HHCD	
C[C@@H](NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(N2CCCCCC2)cc1	765626487	OERUYVWIYRMLSQ-NFBKMPQASA-N	400.611	3.660	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3nc(C4CC4)cs3)cc2F)C[C@@H](C)O1	765679281	QRBXQCPJGBNZRU-ZIAGYGMSSA-N	418.538	3.773	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc(Cl)c2c(c1)OCCCO2	765766794	BPCKLBIWGYBTBZ-UHFFFAOYSA-N	412.667	3.899	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccn(-c4ccc(F)cc4F)n3)CC2)cc1	766432193	LAPINROLGMTPSI-UHFFFAOYSA-N	412.440	3.512	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)Cc1c(F)cccc1F	766823905	DCGQZWWYQSFDPS-UHFFFAOYSA-N	420.275	3.785	10	20	HHCD	
CCOc1cc(CN2CCCc3cc(OC)ccc32)nc2nc(C(F)(F)F)nn12	766846976	URYGCLOLRYALAD-UHFFFAOYSA-N	407.396	3.503	10	20	HHCD	
O=S(=O)(Nc1ccc2c(c1)OCO2)c1c(Cl)cc(F)cc1Br	768035627	DTECPBNQXGJVKL-UHFFFAOYSA-N	408.632	3.771	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3CCOC4(CCCCC4)C3)CC2)cc1F	769175389	HXFJXLXNYSWUIY-KRWDZBQOSA-N	405.514	3.548	10	20	HHCD	
COc1cc(Br)cc(CN(CCc2ccccc2)[C@@H]2CCOC2)c1O	770306931	ZAOMZCNOPKXWDL-GOSISDBHSA-N	406.320	3.997	10	20	HHCD	
CC(=O)c1ccc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1	771059435	REVSDQNECAMBPA-FQEVSTJZSA-N	400.906	3.572	10	20	HHCD	
Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n(-c2ccccc2)n1	773024781	UFTGXPZDRLHWLK-LJQANCHMSA-N	415.541	3.987	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1cccc(C(=O)N(C)Cc2ccccc2O)c1	775542622	MPZLBLAGFZVIKR-UHFFFAOYSA-N	404.466	3.642	10	20	HHCD	
C[C@H](NCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccc(N(C)C)cc1	775834586	AYOJJECYOJGUBI-AWEZNQCLSA-N	403.527	3.746	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	776078163	UXVVNIMWSJDABV-ZJBJCVSYSA-N	416.493	3.998	10	20	HHCD	
CCOc1ccc(-c2nc(COC(=O)c3cccc(O)c3O)cs2)cc1OC	776280828	YDMNDGTZEFUZGC-UHFFFAOYSA-N	401.440	3.986	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2)cc1	776966985	ZOMZAIQYEZSOIO-MRXNPFEDSA-N	400.906	3.906	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CCN(C(=O)N(C)C)CC1	777823615	VQDBWNDYTUBJPH-GOSISDBHSA-N	409.530	3.876	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	777828999	SKYUAEKCWXEBRN-UONOGXRCSA-N	409.816	3.629	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(Br)cc(Br)c1	778919091	SSACXTBVTXKICL-UHFFFAOYSA-N	401.054	3.553	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)CN(C)[C@H](C)c3cc4ccccc4o3)CC2)cc1	779213834	LUJMEBJKLZQEDV-DENIHFKCSA-N	423.557	3.617	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCN(CC(F)(F)F)CC1	780632120	GZPUBZMDWBNWGU-UHFFFAOYSA-N	400.489	3.558	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1noc2c1CCCCC2	780814121	LTCAMVXPXILQCU-CQSZACIVSA-N	405.445	3.944	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C(F)(F)F)ccc3F)c2)CC1	781046059	ZBSDYDVDFVBXNU-UHFFFAOYSA-N	409.383	3.765	10	20	HHCD	
C[C@H](NCc1noc(-c2ccc(F)cc2F)n1)c1ccc(N2CCOCC2)cc1	781902669	IBERYRAWSNNGKW-AWEZNQCLSA-N	400.429	3.702	10	20	HHCD	
Cc1c([C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C(C)C)oc2ccccc12	785423650	FFAQBGMIVWOWFH-OAQYLSRUSA-N	407.514	3.937	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(OC)c(NC(N)=O)c3)c2C)cc1	787699690	DVONKDHSDGDGLO-UHFFFAOYSA-N	408.458	3.854	10	20	HHCD	
COc1cc(N2CCN(C(=O)C3(c4ccccc4C)CCC3)CC2)cc(OC)c1OC	788461466	WZZZPALQEQIHED-UHFFFAOYSA-N	424.541	3.791	10	20	HHCD	
Cn1cc([C@H]2CSCCN2Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1	792192440	OGPJRTUNSLQIJB-HXUWFJFHSA-N	401.536	3.609	10	20	HHCD	
CCOc1cccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	793833083	ZDEHEEJXLRFPKI-SFHVURJKSA-N	411.546	3.766	10	20	HHCD	
CC(C)CS(=O)(=O)N1CCC(N[C@@H](C)c2cccc(C(F)(F)F)c2O)CC1	798183351	ONWWOEQELOCQNP-ZDUSSCGKSA-N	408.486	3.512	10	20	HHCD	
COCCO[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1	800769009	JNZTZFFSWOAVPA-FQEVSTJZSA-N	409.534	3.521	10	20	HHCD	
Cc1cc(C(=O)OCc2ncnn2CCF)c(C)n1-c1cccc(Br)c1	801234028	HYOXLVVRKMMTLG-UHFFFAOYSA-N	421.270	3.775	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1cc(F)ccc1N1CCOCC1	802187346	HNKWORHHLWGNHK-UHFFFAOYSA-N	415.509	3.880	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OCC)C1	802300709	USSGFDPGNRNTMS-ROUUACIJSA-N	405.539	3.961	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1nc2ccccc2s1	804166508	DFDHKDMWCCMDEV-HNNXBMFYSA-N	410.543	3.588	10	20	HHCD	
CN(CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)OC(C)(C)C	805106047	RQPGUIFSNVWCKJ-UHFFFAOYSA-N	406.310	3.755	10	20	HHCD	
CCOCCCN1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)[C@H](C)C1	805124224	HWTIYLGOSQXLQM-DYVFJYSZSA-N	418.365	3.635	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H](CCO)c1ccc(Cl)cc1	806439876	GWBVYGLYQIIXAA-FQEVSTJZSA-N	419.978	3.816	10	20	HHCD	
COCc1cnc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)s1	807002980	RUOOIMXTCUXMRH-CQSZACIVSA-N	410.499	3.605	10	20	HHCD	
CON(C)C(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	812710300	MXOKFUABTRGRCR-UHFFFAOYSA-N	403.910	3.620	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1	812941300	HSNXEJZFWOKTPF-KRWDZBQOSA-N	409.534	3.541	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	814156241	URLYDMJGLMTHDP-AZUAARDMSA-N	424.545	3.961	10	20	HHCD	
COC(=O)c1cc2c(/C=C3/SC(=S)N(C4CCC4)C3=O)ccc(OC)c2o1	814186186	VUJKUTJHWPVXOM-OVCLIPMQSA-N	403.481	3.982	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2O)cc1	815564276	DSSBZCQSNCROAQ-VXGBXAGGSA-N	402.438	3.731	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC3(CCN(Cc4ccccc4)CC3)C2)c1O	816619703	RBPIVNVPUNLZNQ-UHFFFAOYSA-N	411.502	3.797	10	20	HHCD	
Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)/C=C/c1ccc(O)c(O)c1	818350452	YJZFDBCBZAAQLY-YCRREMRBSA-N	414.259	3.913	10	20	HHCD	
O=C(NCCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915743118	HZOCQDJKPSGYRC-FQEVSTJZSA-N	410.474	3.742	10	20	HHCD	
Cc1cnc(S[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc1	917248818	LFNVOFPUGPWQRR-ZDUSSCGKSA-N	403.463	3.680	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(-n3ccnc3C)nc2)cc1	918112727	JMLYRPUURIUDRX-UHFFFAOYSA-N	406.534	3.764	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCOC3CCCCC3)cc2F)C[C@H](C)O1	918198392	IMFYYRCDUXUKCY-ROUUACIJSA-N	421.557	3.978	10	20	HHCD	
CCCCN(C)C(=O)C1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)CC1	918229203	YTUYYYSGCDNYKH-UHFFFAOYSA-N	402.583	3.713	10	20	HHCD	
CCOc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1OC	918294612	IEPFGIVFDDWQIK-UHFFFAOYSA-N	424.453	3.560	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1OC(C)C	919968687	SUOFQOFKXVDELZ-UHFFFAOYSA-N	412.530	3.621	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CO[C@H]2CCOC2)sc(C)c1-c1ccc(C)cc1	1319364853	KNTPWSPOFKSTDK-INIZCTEOSA-N	403.500	3.953	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CSCc3cn4cc(C)ccc4n3)CC2)cc1	1319381728	SUVVFPOLOPDUAO-UHFFFAOYSA-N	424.570	3.623	10	20	HHCD	
CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1323286308	SNMVUMUTDJONNR-UHFFFAOYSA-N	412.553	3.737	10	20	HHCD	
FC(F)COc1ccnc(CNC(=S)Nc2cccc(Br)c2)c1	1324989138	QKTUSKFMXZGBHD-UHFFFAOYSA-N	402.264	3.975	10	20	HHCD	
Cc1cc(CCNC(=O)[C@H]2CC(=O)N(C)c3ccccc32)c(C)n1-c1ccccc1	1329120856	WITXRANFCOUWEJ-QFIPXVFZSA-N	401.510	3.903	10	20	HHCD	
Cc1cccc(N2N=C(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)CCC2=O)c1	1331310078	RAGCCURESLCYOD-UHFFFAOYSA-N	424.464	3.826	10	20	HHCD	
CC1=S=C(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)C=C1Br	1584155132	VPDLEROLJPNJEC-UHFFFAOYSA-N	413.362	3.909	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)SC1=S	13269133	HANCLERCPWKMME-CXUHLZMHSA-N	403.456	3.691	10	20	HHCD	
COc1ccc(C2=N/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)O2)cc1[N+](=O)[O-]	212444733	MQVJXCHAGZCSMI-QGOAFFKASA-N	407.426	3.938	10	20	HHCD	
Cc1nn(C)c(C)c1[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)C(F)(F)F	469928093	KVMSTTHOLORGGF-SFHVURJKSA-N	407.440	3.940	10	20	HHCD	
O=C(Nc1ccc(-c2nc(-c3cc(O)nc4ccccc34)no2)cc1)C1=S=CC=C1	581970101	MIQBWSNMRMHCQW-UHFFFAOYSA-N	414.446	3.874	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccn(-c4ncccc4F)n3)ccc21	677641535	SQCPYCXZLVDMER-UHFFFAOYSA-N	407.449	3.877	10	20	HHCD	
CCOc1c(OC)cc(/C=C2\SC(=S)N(c3cnn(CC)c3)C2=O)cc1OC	726196976	IUTKSPUCQLCEDU-SXGWCWSVSA-N	419.528	3.725	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)SC2=S)cn1	726986289	NGHUFAHGSRZSRY-PXNMLYILSA-N	418.496	3.522	10	20	HHCD	
CC[C@H](C)OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	729078330	IPALSEDBGFSDKF-XNFYSYIQSA-N	414.346	3.992	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(OCC2CC2)cc1	733634833	VMTGDKIKCGORNT-UHFFFAOYSA-N	413.493	3.897	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1	734016976	SYTBBERFYMLMOV-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)[C@H](C)c3cccc(Cl)c3)CC2)cc1	741891543	AIKSLDWENNQWOH-GOSISDBHSA-N	415.965	3.781	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1	743808655	BFERTKBFAPTWPN-HNNXBMFYSA-N	423.351	3.684	10	20	HHCD	
COCCOc1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cn1	745512949	MYZBUXRWTQLVRU-UHFFFAOYSA-N	413.518	3.857	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1	746147435	GRWFWKQDDJBONP-UHFFFAOYSA-N	406.364	3.667	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(NC(=O)NC2CC2)cc1	746983164	UNLYXBJYNYJREG-INIZCTEOSA-N	421.545	3.913	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)c1C	747211039	YZEBMAHTIOTSKM-IBGZPJMESA-N	403.530	3.960	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)c1ccc(N2CCOCC2)cc1	747871507	IVQLQZWYNFTAFF-HNNXBMFYSA-N	408.589	3.922	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1O	750817841	WHACVVXWKUIXBV-OAQYLSRUSA-N	412.461	3.514	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(Br)ccc2Cl)c1	751326829	UEWYLBQZOLQQHB-VIFPVBQESA-N	420.712	3.856	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NC[C@H](OC)c3ccc(Cl)cc3)CC2)cc1F	753917317	CEUYBMZQKIFJKC-FQEVSTJZSA-N	421.900	3.707	10	20	HHCD	
C[C@@H](NCCCn1ccnc1)c1cc(Br)cc(Br)c1O	756344962	VGNRFPIEQLRPPC-SNVBAGLBSA-N	403.118	3.855	10	20	HHCD	
C[C@@H]1C[C@H](NCc2cccc(OCCN3CCOCC3)c2)c2c(O)ccc(F)c21	756467306	UMURROBKFNVHGS-UZLBHIALSA-N	400.494	3.580	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)c1	756512161	WTRWOYVXOMTXLD-OAHLLOKOSA-N	405.454	3.677	10	20	HHCD	
CCc1cc(N2CCC[C@@H](N[C@@H](C)c3cc(Br)ccc3O)C2)ncn1	756710816	FBQVZELECGNDAS-XJKSGUPXSA-N	405.340	3.827	10	20	HHCD	
CSc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	756970293	GDOULLIHWTTZOE-UHFFFAOYSA-N	413.587	3.925	10	20	HHCD	
CC[C@](C)(CC(=O)OC)NCc1cc(Br)cc(Br)c1O	757920880	SMYBKIXXPQVXHU-CQSZACIVSA-N	409.118	3.739	10	20	HHCD	
C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	758576774	LXWNQKAZNGKHTR-BAILOTOSSA-N	411.933	3.761	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C\c3cc4c(cc3OC)OCO4)SC2=S)c1	758818672	HUAUNTFHNYBARZ-REZTVBANSA-N	401.465	3.838	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1	765329780	WSWOUODVTLYOGF-OFNKIYASSA-N	409.530	3.884	10	20	HHCD	
COc1ccc(N2CCC(NC3CCN(C(=O)c4ccc(C)cc4)CC3)CC2)cc1	765662677	WLRYRUJETSGHBE-UHFFFAOYSA-N	407.558	3.867	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(COc2ccc(Cl)cc2Cl)on1	767784610	DLUOAVBJKWTOJG-UHFFFAOYSA-N	423.252	3.944	10	20	HHCD	
Cc1nnc(-c2ccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)cc2)o1	767934523	WXHKEQYYGABVSU-UHFFFAOYSA-N	405.502	3.828	10	20	HHCD	
O=C(C[C@@H]1OCCc2ccccc21)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768916440	QNRFQVDMIWDDPA-KNQAVFIVSA-N	414.933	3.830	10	20	HHCD	
CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	769033101	IXTCIRPGVFRHGE-UHFFFAOYSA-N	414.638	3.593	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3(O)CCSCC3)c2C)cc1F	769810618	LAURZJDFGXLIAG-UHFFFAOYSA-N	405.491	3.526	10	20	HHCD	
Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Br)n1	771510997	QDXLVPBQCNOLNW-AWEZNQCLSA-N	419.323	3.872	10	20	HHCD	
C[C@@H](c1ccncc1)N1CCC(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	773088146	NOWVBQQSSQDXMU-MOPGFXCFSA-N	412.553	3.934	10	20	HHCD	
Cn1cc([C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)c2ccc(F)cc2)cn1	773318479	WAGLPOHYRMMFIF-JOCHJYFZSA-N	405.477	3.524	10	20	HHCD	
CC[C@@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(Br)ccc1O	775546456	IMRUAKQADPVJAS-UYAOXDASSA-N	419.363	3.962	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	775621675	UNOJVTMVVFKWJN-OAHLLOKOSA-N	404.536	3.787	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1OC	775666978	BOUFZTXJFODNAA-KRWDZBQOSA-N	413.518	3.752	10	20	HHCD	
O=C(NCCCSc1nccs1)NOCc1ccc(F)cc1Br	780539005	SWYVPULGDFVUFL-UHFFFAOYSA-N	420.329	3.958	10	20	HHCD	
O=C1/C(=C\c2cn(-c3ccc(F)c(Cl)c3)nn2)SC(=S)N1c1cccnc1	782886221	BJKLKVOLDQRIOV-GIDUJCDVSA-N	417.878	3.861	10	20	HHCD	
C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(Br)cc(Br)c1O	785989151	SMVQUECJNRNICG-ISTVAULSSA-N	407.146	3.899	10	20	HHCD	
Cc1nnc2c3ccccc3c(NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)nn12	786576046	OPMDEVFWYVLGHO-HUUCEWRRSA-N	420.492	3.951	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(-n3cccn3)ccc2C)cc1	789559847	YLOBNHRVMSAPIG-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
Cc1cc(CC(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)c(C)n1-c1ccc(Cl)cc1	791891293	ZPOFKCBZKZTMRA-VGOFRKELSA-N	402.922	3.696	10	20	HHCD	
COCC1(CN[C@@H](C)c2cc(OC)ccc2O)CCN(C(=O)OC(C)(C)C)CC1	793573806	GBCBLGNFPSRAKO-INIZCTEOSA-N	408.539	3.715	10	20	HHCD	
Cc1ccc(O)c([C@@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)c1	797037009	UZGZOUWKQHTQRH-GFCCVEGCSA-N	403.331	3.637	10	20	HHCD	
CCN(CC)CCOc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	797625134	MNLPFQJTGFYRNT-MRXNPFEDSA-N	401.507	3.571	10	20	HHCD	
COCCO[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	799995098	XYCDTMQCWYHKSQ-FUHWJXTLSA-N	409.958	3.523	10	20	HHCD	
Cc1cc(C)nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	801161737	GGQGSVWLBXPUNN-HXUWFJFHSA-N	412.534	3.760	10	20	HHCD	
O=C(NCCN1CCc2sccc2C1)NCc1cc(Cl)cc(Cl)c1O	804977118	MWQFPOLIHSCYKK-UHFFFAOYSA-N	400.331	3.618	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@H](c1ccccc1)N(C)C	807403331	YVBZGYSEGYBMEE-SUMWQHHRSA-N	406.324	3.645	10	20	HHCD	
COCc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cnn1-c1ccccc1	807839406	NCHHHWKNIFCBJE-UHFFFAOYSA-N	406.269	3.961	10	20	HHCD	
CCC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)c(S(N)(=O)=O)c1	808089905	MOYBTOPWTYRWCD-UHFFFAOYSA-N	403.287	3.551	10	20	HHCD	
CCS(=O)(=O)N1CCC([C@@H](C)N(C)Cc2cc(-c3ccccc3)ccc2O)CC1	809786284	WRNIYMGZVAZYID-GOSISDBHSA-N	416.587	3.941	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C3(Cc4cccc(F)c4)CCOCC3)CC2)cc1	814363576	NKCUSLRKXDRWGM-UHFFFAOYSA-N	412.505	3.522	10	20	HHCD	
O=S(=O)(c1ccccc1CNCc1cc(Cl)c(F)cc1O)N1CCCCC1	816533748	IPZLVTNATVVXFX-UHFFFAOYSA-N	412.914	3.649	10	20	HHCD	
CCCS(=O)(=O)c1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	915146647	WFPQIYGAQXBSNU-UHFFFAOYSA-N	400.544	3.741	10	20	HHCD	
O=C(CN1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1)NC1CC1	915303527	GSFKYAOPYZFDOS-UHFFFAOYSA-N	406.490	3.530	10	20	HHCD	
O=C(NCC1(c2ccccc2)CCOCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	916623373	OUUPMHJLBOBEGZ-JOCHJYFZSA-N	424.541	3.831	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cnn(Cc4ccccc4)c3)cc2F)C[C@@H](C)O1	918138067	GYHYIIWUOUIACW-QZTJIDSGSA-N	422.504	3.614	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3scnc3C)c2C)cc1	919165307	LWOJDUFHACRMLX-UHFFFAOYSA-N	412.467	3.685	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@H](CO)Cc2ccc(F)cc2)ccc1N1CCCCC1	920181774	FLLQLQUVSYMQKT-LJQANCHMSA-N	401.482	3.665	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1-c1nccs1	920886719	PQMPGTISYOEOMM-MRXNPFEDSA-N	410.543	3.878	10	20	HHCD	
Cc1cc(CN2CCCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)no1	1320208530	JQLAQVWFFVAEIV-UHFFFAOYSA-N	407.514	3.976	10	20	HHCD	
COc1ccc(Cl)cc1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	1322771145	KLSQIKJSQUFBOY-LJQANCHMSA-N	418.921	3.988	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C[C@H](C)S1(=O)=O	1323306122	REMVECZNIFZGJC-DOTOQJQBSA-N	408.951	3.785	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(OCC4CC4)nc3)cc2F)C[C@@H](C)O1	1338396238	PXGFKZMHJGPVEA-HZPDHXFCSA-N	413.493	3.553	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COc1ccc2ccc(=O)oc2c1	10961824	LVSKZITWKIPHEP-UHFFFAOYSA-N	406.482	3.821	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1	21958380	KEAXJGBKVRZGJO-UHFFFAOYSA-N	419.481	3.591	10	20	HHCD	
C[C@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc(N2CCOCC2)cc1	109180720	RLENQRRDAJSIOJ-MAUKXSAKSA-N	400.906	3.605	10	20	HHCD	
CCN(Cc1ccc2c(c1)OCO2)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	110422574	CAWXBAIYGKDCHV-UHFFFAOYSA-N	411.502	3.624	10	20	HHCD	
CC(C)c1nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc(N(C)C)n1	301927357	NESQPRXCDFNRKS-UHFFFAOYSA-N	424.471	3.529	10	20	HHCD	
Cc1noc(C[C@H](NC(=O)NCc2c(C)c3ccccc3n2C)c2ccccc2)n1	472188995	FUHBYOWANXFIOF-IBGZPJMESA-N	403.486	3.961	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCOc3ccc(F)c(F)c3)ccc21	518525934	XIFPKAIONRLOGU-UHFFFAOYSA-N	402.441	3.992	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3cccc(Br)c3)cs2)cn1	727241992	PWPDGWZJYHZIOG-UHFFFAOYSA-N	413.322	3.590	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCn2cccc2[C@@H]1c1ccccc1	729599562	IATFWJIAZRYITG-DEOSSOPVSA-N	416.525	3.640	10	20	HHCD	
Cc1cc(C(=O)N2CCC(c3nnc(S)n3C(C)C)CC2)c(C)n1-c1ccccn1	731639339	SFBOAOMFEDGRRC-UHFFFAOYSA-N	424.574	3.970	10	20	HHCD	
CCCc1cc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n2ncnc2n1	731903174	BKIMIUNJSUTRQZ-QGZVFWFLSA-N	400.914	3.512	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCNC(=O)c1c(F)cccc1F	732967060	GVSGOZHOVCLVIX-UHFFFAOYSA-N	403.454	3.594	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c(C)n1-c1ccc(Br)cc1	736588423	UGKNOSXHRQASSH-USCZKRCMSA-N	423.376	3.838	10	20	HHCD	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	738300269	SXABNOOGBPKOSF-IBGZPJMESA-N	421.541	3.921	10	20	HHCD	
CCOc1ccc(N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1	739927481	YIPIZCBNSFQUBF-UHFFFAOYSA-N	419.407	3.760	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C	740919570	BAYLAHFABHDZHC-HDICACEKSA-N	414.550	3.602	10	20	HHCD	
CC(C)(C)OC(=O)N(CC(=O)NCc1ccc(N2CCSCC2)cc1)CC1CC1	742553018	BTPFCYQVDNQZGZ-UHFFFAOYSA-N	419.591	3.503	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(C4CCCC4)CC3)cc2)C1	745690505	CHSPLMGVADNCAT-OAQYLSRUSA-N	412.578	3.500	10	20	HHCD	
C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	747366704	KTWBGZZQMWGJAU-WZONZLPQSA-N	411.521	3.504	10	20	HHCD	
Cc1cc(C(=O)N2CCC(OCCCN(C)C)CC2)c(C)n1-c1ccc(F)cc1	748747529	OCLRRJAPHFOKRP-UHFFFAOYSA-N	401.526	3.806	10	20	HHCD	
O=C(CCCNC(=O)c1ccsc1)Nc1c(-c2ccccn2)nc2ccccn12	751302195	KRSULASDDHZCND-UHFFFAOYSA-N	405.483	3.607	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc(Cl)cc3)cs2)cc1	751931879	UWADTZIQGINWIW-UHFFFAOYSA-N	401.875	3.765	10	20	HHCD	
Cc1cc(CC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c(C)n1-c1ccc(Cl)cc1	757001404	WAUCWGXMULSMJX-NHCUHLMSSA-N	402.922	3.696	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@H]1CSCCN1Cc1ccccc1	759000937	DUZFBZLKQWBLOT-KRWDZBQOSA-N	422.645	3.542	10	20	HHCD	
O=C(NC[C@@H]1CCCCN1C(=O)NCCCSc1nccs1)c1ccccc1	759601439	JWKDAMSDVHIUOT-KRWDZBQOSA-N	418.588	3.619	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CC2(CO)CC2)c(C)n1-c1ccc(OC(F)F)cc1	759938509	FKCCMLRAJNATFB-UHFFFAOYSA-N	407.413	3.584	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccc(I)cc12	762800835	VXSIRKCQTNNJLI-JTQLQIEISA-N	421.238	3.689	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nccn4cc(C)nc34)c2C)cc1	763569517	NCBKJIHDZYKHBZ-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
Cc1cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c(C)n1C[C@H]1CCCO1	764413199	WXJITSIMXMZJPL-KGTJKXQDSA-N	403.529	3.673	10	20	HHCD	
CCOc1ccc(-c2cn(C3CN(Cc4c(O)ccc5ccncc45)C3)nn2)cc1	764950366	JHUHVPVDWYKLHW-UHFFFAOYSA-N	401.470	3.655	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cccnc1OCC(F)F	765329663	TXAPWHCLEVRXFV-UHFFFAOYSA-N	402.195	3.515	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](NC(=O)NCc3cccc(Br)c3O)C2)cc1	765524152	AZCDAADICQGXEY-MRXNPFEDSA-N	418.335	3.931	10	20	HHCD	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	769172652	JVEKRPNESAJZJO-UXHICEINSA-N	402.535	3.965	10	20	HHCD	
COc1cc(Br)cc(CN2CCO[C@]3(CCc4ccccc43)C2)c1O	769486641	VEXGNOGYTJVJCE-HXUWFJFHSA-N	404.304	3.837	10	20	HHCD	
CCOc1ccc(CNc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c(O)c1	770563013	KMZSKKZEZDEAGD-UHFFFAOYSA-N	405.498	3.895	10	20	HHCD	
C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1ccc(N(C)C)cc1	773018057	GVBUFRGALBTWMV-LBPRGKRZSA-N	424.364	3.526	10	20	HHCD	
CCOc1c(Br)cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OC	773768044	BAACHQXQIIXMMO-LLVKDONJSA-N	424.291	3.629	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1cccc(C(F)(F)F)c1	774923847	MYEKZRDDESRGCQ-NSHDSACASA-N	417.478	3.638	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1	775256087	VHYDWTHTGSYKPK-HXUWFJFHSA-N	422.573	3.803	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	775773963	LVOLYEHWRGQQRP-ZEQRLZLVSA-N	423.557	3.649	10	20	HHCD	
COc1cc(O)c(CNC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1OC	776040332	CEYVOHYJIBIRMN-CQSZACIVSA-N	421.335	3.788	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1	777453165	MKOBGMJVWYOZFJ-UHFFFAOYSA-N	416.566	3.899	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	779380652	WTSBPQODPBEDQN-MRXNPFEDSA-N	408.285	3.646	10	20	HHCD	
CCSc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccn1	779685271	RGBFHVNAZWIHJZ-GOSISDBHSA-N	401.532	3.790	10	20	HHCD	
Cn1cc(-c2ccc(F)c(C(=O)NCc3ccc(N4CCSCC4)cc3)c2)cn1	782550573	PZAVUTURMGWUCQ-UHFFFAOYSA-N	410.518	3.709	10	20	HHCD	
CC(C)Cn1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cn1	783487634	XNVCNVNBSMXOCZ-QGZVFWFLSA-N	405.502	3.854	10	20	HHCD	
CC(C)(C)c1cnc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)s1	789371340	USODTCPZPPYJNW-UHFFFAOYSA-N	413.499	3.907	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC(F)(F)C2)NC(=O)OC(C)(C)C)cc1	795136455	INBPYXVFGIGBHP-NVXWUHKLSA-N	411.493	3.870	10	20	HHCD	
CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2ccc(OC)cc2O)CC1	797609057	RYLDZRPOGPXRRL-UHFFFAOYSA-N	418.925	3.518	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccccc3Oc3cnn(C)c3)CC2)cc1	800877489	MKTUOWOVYKHVIZ-UHFFFAOYSA-N	406.486	3.620	10	20	HHCD	
COCCO[C@H]1CCCN(Cc2cc(Br)cc(Br)c2O)C1	802651875	FSGWHBCMFOSDEX-ZDUSSCGKSA-N	423.145	3.545	10	20	HHCD	
CSCc1cccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	807738494	CEBSWDIUNMJIGN-UHFFFAOYSA-N	413.587	3.669	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cc4ccccc4n(C)c3=O)cc2)CC1	813634676	RVOBFDFEBFCSSB-UHFFFAOYSA-N	418.541	3.774	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2C(=O)OCC2(C)C)c(C)n1-c1ccccc1Br	819777428	HHHJYAXHGCBFCU-MRXNPFEDSA-N	405.292	3.538	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(C(=O)N(C)C(C)C)CC2)c(C)n1-c1cccc(F)c1	915218909	WOYAAARFAIGUNO-UHFFFAOYSA-N	413.537	3.995	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)CN1CCCC1=O	916438910	ZOVYSYVBNQWFSS-GOSISDBHSA-N	419.447	3.921	10	20	HHCD	
Cc1cc(C)n(-c2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cn2)n1	916624789	QJNNCPCLKZIMNV-UHFFFAOYSA-N	422.558	3.759	10	20	HHCD	
CNC(=O)c1ccc(Cl)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	916680207	AKPLETDAEACMNZ-INIZCTEOSA-N	417.893	3.618	10	20	HHCD	
CN(CC(F)(F)F)C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	917205886	MJNCVPNVHOVOHL-OAHLLOKOSA-N	413.465	3.842	10	20	HHCD	
C[C@H](OC(=O)Cc1ccsc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	917666921	QZRVFWFERXOHCY-ZDUSSCGKSA-N	419.458	3.636	10	20	HHCD	
Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)on1	918219897	QMZOTFMWEOSPFE-QINHECLXSA-N	416.497	3.782	10	20	HHCD	
C[C@@H](CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1	920180118	KMMRFJVTISUZRA-IBGZPJMESA-N	405.521	3.836	10	20	HHCD	
CSc1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1-c1ccccc1	920880487	BGPNUUWRBLWIPE-QGZVFWFLSA-N	422.554	3.922	10	20	HHCD	
CC[C@@]1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCN(C(=O)OC(C)(C)C)C1	1116757388	WLDSJZHRJSUQTP-JOCHJYFZSA-N	403.523	3.515	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H]2C[C@@H]2C2CC2)C3)cc1	1845397762	PUZRJOQSYYLWSZ-PKTZIBPZSA-N	417.553	3.957	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3cc(F)ccc3F)sc2n1	14152217	MBFTWJXFDOMFNE-SNVBAGLBSA-N	405.426	3.958	10	20	HHCD	
CNC(=O)c1ccc(CN(C)C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	24715145	LGIDBJXLFKYZLS-UHFFFAOYSA-N	405.498	3.735	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccco1)Cc1ccccc1O	96970891	CUILASWZTKKYSU-UHFFFAOYSA-N	407.514	3.712	10	20	HHCD	
CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	141025273	MGCGGYZZHSLJGW-IRXDYDNUSA-N	410.518	3.603	10	20	HHCD	
C[C@H]1CN(C(C)(C)CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1	725844213	LBRFMZPKDHGXHH-HDICACEKSA-N	404.555	3.563	10	20	HHCD	
CCOc1ccc(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(O)c1	725845193	RRKLEYQHZQFWGC-UHFFFAOYSA-N	400.788	3.796	10	20	HHCD	
CCOC(=O)CCN(C)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	725891599	PEDYASATZOOBPD-UHFFFAOYSA-N	407.308	3.882	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc4sc(N(C)C)nc4s3)CC2)cc1	726562442	KGJJMFVPDPQRAE-UHFFFAOYSA-N	416.572	3.831	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(-n4nc(C)cc4C)nc3)CC2)cc1	726609258	ZELSFOFRFDNZRW-UHFFFAOYSA-N	420.517	3.683	10	20	HHCD	
CCS[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)C	727306516	UBYCOEZCQSMVSU-KRWDZBQOSA-N	404.498	3.936	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=S)NCCc3cccs3)cc2F)C[C@@H](C)O1	727696690	INXQEQZTHKNGDD-HUUCEWRRSA-N	407.580	3.708	10	20	HHCD	
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N(CC)CC)cc2)C1	728750277	WFTGVYABFRDMHS-UYAOXDASSA-N	402.583	3.759	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731016083	DJILMFWDDOYQEI-XBNBKLGLSA-N	415.603	3.797	10	20	HHCD	
Cc1c(C(=O)NCCCSc2nccs2)nnn1-c1ccc(F)c(Cl)c1	733972745	VCQPOSGIPZAZQB-UHFFFAOYSA-N	411.915	3.737	10	20	HHCD	
CCOc1cc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)ccc1OC	734012320	XFCDYKNJYMVGRU-UHFFFAOYSA-N	413.518	3.524	10	20	HHCD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	735762919	SEWISXSABPHIGY-YFVAEKQCSA-N	404.551	3.924	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C2CCSCC2)c(C)n1-c1ccc2c(c1)OCCO2	735933256	WOVHOHCVZGPMMM-UHFFFAOYSA-N	415.511	3.734	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(OCc2ccccc2)ccc1O	738514566	YHUHITQLGNIPSS-UHFFFAOYSA-N	418.493	3.738	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2ccc(N3CCCCC3)cc2)C1	741211538	ICGWNQZFUDHZMY-NRFANRHFSA-N	414.594	3.761	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc32)NC(=O)OC(C)(C)C)cc1	742750435	NVEKNHWIRDOMFU-LEWJYISDSA-N	409.530	3.775	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1C	742805043	FAZUDRKQMONRNR-KRWDZBQOSA-N	417.456	3.954	10	20	HHCD	
CC(C)(C)c1cnc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	743221583	WYBGLSXKURYCFR-UHFFFAOYSA-N	406.527	3.863	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1O	745502736	CGQNHIZSAWZFJP-MRXNPFEDSA-N	407.470	3.935	10	20	HHCD	
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	745837972	QCGSQXRQHGOAIO-MJGOQNOKSA-N	408.564	3.592	10	20	HHCD	
CC(=O)c1cc(F)cc(CN(CCO)Cc2cc(Br)ccc2F)c1O	748049791	RKXQSESOYRFFEC-UHFFFAOYSA-N	414.246	3.630	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(Cl)c2ncccc12	749730723	CFNFCYSHOPUMNY-UHFFFAOYSA-N	406.920	3.582	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)c1	752727094	VUDBFCZNBSSNMA-CQSZACIVSA-N	400.475	3.532	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cc(Br)c3c(c2)OCCO3)c1	756492044	ZCKDDACKCHJWDB-LLVKDONJSA-N	422.275	3.563	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC[C@H]1Cn1cnc2ccccc21	756729326	VMXHSAKJTMYHNZ-HNNXBMFYSA-N	401.561	3.849	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cncc4ccccc34)cc2)CC1	759021050	VWESNFCVKLTYLS-UHFFFAOYSA-N	402.498	3.726	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C\Sc3ccccc3)CC2)cc(OC)c1OC	759223970	XSQBONVFVAXNNF-ZROIWOOFSA-N	414.527	3.667	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)NCCCSc1nccs1)O[C@H](C)C2	759545919	GSOLZZJRKJWPDQ-CYBMUJFWSA-N	407.561	3.847	10	20	HHCD	
CCCn1nc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	759803046	KFBGXTNZYLJAFI-MRXNPFEDSA-N	406.477	3.910	10	20	HHCD	
CCCNC(=O)CN1CCC(N[C@@H](C)c2ccc(N3CCCCCC3)cc2)CC1	764897973	LGMHBSHAMVUXHK-FQEVSTJZSA-N	400.611	3.708	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NCc1c(F)c(F)cc(F)c1F	765535470	DGQQYTWRKVKNRC-UHFFFAOYSA-N	407.161	3.711	10	20	HHCD	
Cc1ccc([C@@](O)(CC(=O)NCc2cccc(Br)c2O)C(F)(F)F)o1	765734983	BCJIXOPDGRFGCN-HNNXBMFYSA-N	422.197	3.513	10	20	HHCD	
COc1cc(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c(O)cc1C	768440008	QVZBXQVLBMVVFH-UHFFFAOYSA-N	400.494	3.685	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3c4ccccc4CC[C@@H]3n3ccnc3)ccc21	769089652	ZXEOBZKETBWSHY-BJKOFHAPSA-N	415.541	3.994	10	20	HHCD	
COc1cccc(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1O	769314015	AZMRRGFBHUGOQL-UHFFFAOYSA-N	413.518	3.981	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2c(-n3cccc3)sc3c2CCSC3)c1	769539239	GSOQGKWGVXCCML-UHFFFAOYSA-N	400.525	3.972	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(Br)c(F)c3)c2)CC1	770146943	JNQYYGAQSRVLLA-UHFFFAOYSA-N	406.299	3.982	10	20	HHCD	
C[C@H]1CN(c2ccnc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)C[C@H](C)O1	770825799	XPBZHYUPNBUJOG-ROUUACIJSA-N	408.546	3.566	10	20	HHCD	
COCCO[C@@H]1C[C@H](CO)CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	772178259	YZKGZYQLZKSHCU-LAUBAEHRSA-N	412.490	3.980	10	20	HHCD	
C[C@H](NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1ccc(N(C)C)cc1	773986547	CATZSDHIPNKHCE-FPOVZHCZSA-N	423.557	3.638	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCCCc2nc(-c3ccncc3)cs2)c1O	775010487	CNZFFMKOXNMVHF-UHFFFAOYSA-N	400.460	3.550	10	20	HHCD	
COc1cc(-c2nnc(CN[C@@H](C)c3ccc(N(C)C)cc3)o2)cc(OC)c1OC	775829973	BVTFAYUSHCMCGI-AWEZNQCLSA-N	412.490	3.679	10	20	HHCD	
C[C@@H](NC(=O)NCCC1CCN(CC(F)(F)F)CC1)c1ccc(N(C)C)cc1	776160361	YHPJBGQVIOVVEY-OAHLLOKOSA-N	400.489	3.777	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(O)c(O)c2)cc(OC)c1OCc1ccccc1	778915234	SIRLBJPVMVPYEY-UHFFFAOYSA-N	409.438	3.624	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCn3ccnc3C2)c(C)n1-c1ccc(Br)cc1	779095193	HKUVLOQPWBVHDX-INIZCTEOSA-N	413.319	3.798	10	20	HHCD	
CN(C)c1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc2n1	780979476	DKJLWKGRHLLNAN-SFHVURJKSA-N	405.498	3.828	10	20	HHCD	
Cc1ccc(Cn2nc(C)c(CCC(=O)OCC(=O)c3ccc(O)c(O)c3)c2C)cc1	783657332	TYYSIYHSFGEAAY-UHFFFAOYSA-N	422.481	3.627	10	20	HHCD	
Cc1ccc(Cn2nccc2NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)o1	784109439	RWKLOGCJFBNHTP-UHFFFAOYSA-N	421.501	3.577	10	20	HHCD	
O=C(NCCCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(N2CCCC2)cc1	784223274	OPEXFDHFFDGJBS-UHFFFAOYSA-N	423.492	3.908	10	20	HHCD	
CC(C)c1nc2ccc(NC(=O)C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2s1	785297183	MLHDPLATPDUHQR-GFCCVEGCSA-N	413.499	3.517	10	20	HHCD	
Cc1cc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)ccc1-c1ccccc1	785428459	MRBXXLTVTNBXEY-UHFFFAOYSA-N	401.510	3.661	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2Cl)C2CCCC2)cc1	785439289	NKBKONMZSRGDST-UHFFFAOYSA-N	413.949	3.994	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCCCOc3cccc(C)c3)cc2)CC1	786257522	QMXTWLLBUFZDFH-UHFFFAOYSA-N	423.557	3.529	10	20	HHCD	
COc1cc(CC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc(OC)c1O	789259187	HDJNKJWSOBPEDE-UHFFFAOYSA-N	423.465	3.786	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnc2ccccc2n1	791249930	MOECGQDTJRVHAS-UHFFFAOYSA-N	406.486	3.632	10	20	HHCD	
CN(C)c1ccc(CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC(F)(F)F)cc1	794626916	YDCKFFUZWKAVFG-UHFFFAOYSA-N	424.379	3.591	10	20	HHCD	
COC(=O)Nc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1C	798043787	SSZFFUWSAGNETE-UHFFFAOYSA-N	424.501	3.917	10	20	HHCD	
COc1cc(N2CCOc3ccc(Br)cc3C2)c([N+](=O)[O-])cc1OC	801676329	KGSQZINPTRGSPC-UHFFFAOYSA-N	409.236	3.774	10	20	HHCD	
CC[C@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)c1cccc(Cl)c1O	806139281	MRIRIKSKOXQVFA-FQEVSTJZSA-N	407.986	3.811	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cc(CS(C)(=O)=O)ccc1OC	806638402	IRAMTWHBJQNDFZ-UHFFFAOYSA-N	420.531	3.780	10	20	HHCD	
O=C(NCc1cc(Br)ccc1O)C(=O)Nc1csc2ccccc12	807387826	YYDHAIIZWKVDBK-UHFFFAOYSA-N	405.273	3.624	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1O	808682017	LMVVKOWNFLNVRQ-HNNXBMFYSA-N	408.951	3.989	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCCCC4=O)c2)CC1	811316839	SCPZOQUJPRZSIG-UHFFFAOYSA-N	405.498	3.517	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c2cccnc12	811705112	OTYPPRSUEVRTPI-UHFFFAOYSA-N	402.472	3.675	10	20	HHCD	
C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(C(=O)N(C)C)cc1	813856008	WHECAEWDJYSUNV-KURKYZTESA-N	413.537	3.992	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(C(C)(F)F)cc3)CC2)cc1	814102875	IRXBKHYLXFQZDI-UHFFFAOYSA-N	417.500	3.749	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@H](N(C)Cc3ccc4ccccc4c3O)C2=O)c1	816518997	VBDAPKAWQWVOOG-QFIPXVFZSA-N	406.482	3.800	10	20	HHCD	
C[C@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1	822141398	CIBYFRYXJSRWMA-CQSZACIVSA-N	414.417	3.904	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1	914858650	YFGNYNPSIQKZDK-UHFFFAOYSA-N	407.436	3.625	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CNC(=O)C2CC2)c(C)n1-c1ccc(Cl)c(Cl)c1	915014538	GGTMLKYAAFGQJO-UHFFFAOYSA-N	423.296	3.653	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)n2)c(C)o1	918196421	UFJAFRQXILTDTQ-UHFFFAOYSA-N	421.475	3.845	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2Br)cc1	918310641	RHIVCSPCQABCON-UHFFFAOYSA-N	418.335	3.892	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NC2CC2)c(C)n1-c1ccccc1Br	919448358	RSMSFIKYOKUSMG-ZDUSSCGKSA-N	405.292	3.681	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1Br	919773093	VBDHXLMYGUTLOR-UHFFFAOYSA-N	404.308	3.916	10	20	HHCD	
C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)o1	920179901	DWZUKGMOBYVENS-YLJYHZDGSA-N	421.520	3.949	10	20	HHCD	
CN(C)c1ccc([C@@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)cc1	920406706	YMZWWYZFSKMYQN-RUZDIDTESA-N	401.510	3.962	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCCN2C(=O)COc3ccccc32)c1O	1116675180	VCVTXTXGLRNIMJ-ZDUSSCGKSA-N	405.292	3.539	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)cc1	1324300072	UZPLRAKFOMMKDW-UHFFFAOYSA-N	401.488	3.678	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC1CCC2(CCOCC2)CC1	1331595574	IZEUHHRTGVUFLX-UHFFFAOYSA-N	403.592	3.778	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H](C(N)=O)c3ccc(Cl)cc3)cc2)CC1	1339877387	QSWIAFXASVZXTD-HXUWFJFHSA-N	414.937	3.602	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2ccnc(-c3ccccc3)n2)cc1)C1=S=CC=C1	1357803558	JPWHNAMKCQOZHW-UHFFFAOYSA-N	400.463	3.612	10	20	HHCD	
CCCN(Cc1c(O)ccc2cc(Br)ccc12)[C@H]1CCS(=O)(=O)C1	14264454	AQRABDYXTNHJRS-HNNXBMFYSA-N	412.349	3.707	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)C[C@@H](C)O1	542014873	KPOIEQCZQAGJOB-HDICACEKSA-N	424.545	3.793	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(CN2CCCCC2=O)c1	542953083	JMWGCLASXPYINM-UHFFFAOYSA-N	408.502	3.696	10	20	HHCD	
O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1c[nH]nc1-c1ccccc1F)CC3	559953315	HWWFVVORPLPXHK-XFXZXTDPSA-N	402.385	3.568	10	20	HHCD	
O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1CCc1ccccn1	726197007	JNJIKXFNQAXHJA-GDNBJRDFSA-N	421.341	3.994	10	20	HHCD	
CC(C)C[C@H](C)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	727667679	PDAOBPPWRSYCSL-SFHVURJKSA-N	413.541	3.631	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1	729039686	QBFGHQAJKYWDHO-INIZCTEOSA-N	415.559	3.875	10	20	HHCD	
CO[C@](C)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	730218013	BZUGHECMYXBNGI-QFIPXVFZSA-N	404.457	3.935	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCCNC(=O)c3ccc(F)cc3)cc2)CC1	731017147	YJYUQVNMXAOELU-UHFFFAOYSA-N	411.521	3.888	10	20	HHCD	
COc1cc(CNC(=O)CN(C)Cc2ccccc2O)ccc1OCc1ccccc1	731842868	MTNCJXFHYVUIJP-UHFFFAOYSA-N	420.509	3.728	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F	734405167	GJOHSRKWFDNPCV-UHFFFAOYSA-N	421.398	3.730	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(I)c[nH]2)cc1	734424779	KFIQKGSPJIPFSI-UHFFFAOYSA-N	411.287	3.738	10	20	HHCD	
CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	735187998	USKPVMJYAWRRJU-DENIHFKCSA-N	422.573	3.899	10	20	HHCD	
Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N(C)Cc2ccccc2O)c1	737134243	LHGKYLLNJHHJND-UHFFFAOYSA-N	412.433	3.952	10	20	HHCD	
COc1ccc(N(CC(=O)NC[C@H]2Cc3ccccc3O2)Cc2ccco2)cc1F	739926369	MAEFLWKKDQCDLR-LJQANCHMSA-N	410.445	3.554	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCCN2C(=O)COc3ccccc32)cc1	741637338	WQATYXVJRKDUDN-UHFFFAOYSA-N	403.482	3.640	10	20	HHCD	
C[C@H](c1ccc(Br)cc1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1	742173445	VQVAPWKXFQOYIO-CQSZACIVSA-N	419.319	3.762	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC2(Cl)Cl)NC(=O)OC(C)(C)C)cc1	742750186	AXVSCDARJQQNEB-GJZGRUSLSA-N	416.349	3.628	10	20	HHCD	
Cc1nc2ccnn2c(C)c1CCC(=O)N(Cc1ccco1)Cc1ccccc1O	743431094	QXAPUSZYLYSEQX-UHFFFAOYSA-N	404.470	3.806	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCOC4(CCCCC4)C3)cc2F)C[C@@H](C)O1	743555193	RWFHTTFKZLTSKN-QZTJIDSGSA-N	419.541	3.684	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Br)cc1	749132524	QYRYUIZCWTYFNX-OAHLLOKOSA-N	423.376	3.535	10	20	HHCD	
CN1CCc2cc(/C=C3/NC(=S)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccc21	751525024	SAHBYSDOSLCEDJ-LFIBNONCSA-N	419.428	3.840	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1	753369167	AVZDKQBWZZVPLY-NYHFZMIOSA-N	421.538	3.798	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	756424732	VAPJLZKHUQKLPM-OWCLPIDISA-N	416.493	3.782	10	20	HHCD	
COc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC	758175153	GWMHUJZTIXNAIA-UHFFFAOYSA-N	414.571	3.851	10	20	HHCD	
COC(=O)c1cn(C2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)nn1	758962728	ASIBLFSAFWUSJJ-UHFFFAOYSA-N	406.442	3.507	10	20	HHCD	
COCCn1cc2c(n1)[C@H](N[C@@H](C)c1cc(Br)cc(F)c1O)CCC2	760891441	ITFSWCIQMCXLGH-MEDUHNTESA-N	412.303	3.865	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O	761356798	YSHSYTMMAYMVQJ-KRWDZBQOSA-N	402.292	3.617	10	20	HHCD	
C[C@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccc(N2CCCCC2)c(F)c1	765281672	VUBTTWYDHIEGIS-SFHVURJKSA-N	419.566	3.586	10	20	HHCD	
C[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCc2sccc2C1	765376800	PBWPNHJTKZRRPT-DLBZAZTESA-N	403.567	3.821	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cccc(OC[C@@H]2CCCO2)c1	765752954	KIGMYFYIOITLIM-INIZCTEOSA-N	406.276	3.643	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	769752909	OYMRGPYCFQEVIO-UHFFFAOYSA-N	417.531	3.589	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(C(F)(F)F)nc1	771055466	CDUNNHSDODCEGM-HNNXBMFYSA-N	413.827	3.854	10	20	HHCD	
C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1	772777844	YFUUAXSTWQMCIY-CGAJTASUSA-N	410.253	3.838	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773013095	IEPXPZNUBFECQQ-LAUBAEHRSA-N	409.530	3.633	10	20	HHCD	
C[C@H](NC(=O)Cc1cccc(I)c1)c1ccc(N(C)C)cc1	773019459	LSRHPAFEFLCRBL-ZDUSSCGKSA-N	408.283	3.777	10	20	HHCD	
O=C(NCCc1ccc(OCC(F)(F)F)nc1)NCc1c(O)ccc2c1CCCC2	773615204	ZFNGDXANFNYKDG-UHFFFAOYSA-N	423.435	3.649	10	20	HHCD	
C[C@@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(N(C)C)cc1	775408682	BDWBNUNGHOTQTJ-LJQANCHMSA-N	407.558	3.801	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775701467	XXYBHPXVUJAYHP-CTNGQTDRSA-N	416.610	3.564	10	20	HHCD	
Cc1cc(CC(=O)N(CCS(C)(=O)=O)C(C)(C)C)c(C)n1-c1ccc(Cl)cc1	776374219	SMEVVBBEXRNJNJ-UHFFFAOYSA-N	424.994	3.962	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2CC[C@H](O)[C@@H](C)C2)c(C)n1-c1ccc(OC(F)F)cc1	778252051	DVLWZSGLQJARLK-RISOHXOYSA-N	406.473	3.969	10	20	HHCD	
CC(C)(C)C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F	778733637	VWUMFCLXKWUHKI-KRWDZBQOSA-N	419.463	3.953	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2ccc(Cn3cncn3)cc2)c1O	779001706	DNZKMSNSTJUCAJ-AWEZNQCLSA-N	401.308	3.954	10	20	HHCD	
COc1ccc([C@@H](NCc2cc(F)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1	779084846	BRBZQFDNRGLZMJ-JOCHJYFZSA-N	415.486	3.823	10	20	HHCD	
Oc1ccc(Br)cc1CN1CCOC[C@H]1c1noc(-c2ccccc2)n1	779615704	ICGFSHGFOLDMEZ-INIZCTEOSA-N	416.275	3.778	10	20	HHCD	
COCC[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccco1	779979462	AQOGJDJJPVWJOW-MDZRGWNJSA-N	419.497	3.609	10	20	HHCD	
C[C@@H]1C[C@@H](CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1	784511133	NDLKZNACLUNFER-CVEARBPZSA-N	411.493	3.761	10	20	HHCD	
COC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	787066917	WSVZXXREVQOJGG-IERDGZPVSA-N	417.937	3.925	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1	788964248	COLICLDGSRDZOJ-JOCHJYFZSA-N	411.521	3.946	10	20	HHCD	
CCCC[C@H](CCC)NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	789825493	MHCVLUDKZPVBBL-LNLFQRSKSA-N	421.557	3.531	10	20	HHCD	
COCc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	795775415	QGDKULIZKLHHGK-UHFFFAOYSA-N	418.559	3.653	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@@H]3O)CC2)cc1	798400196	WOVSCLNPRNRGGO-QMZRJTEUSA-N	415.578	3.635	10	20	HHCD	
Cc1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)c(C)n1-c1ccc(Cl)cc1	799744504	LPKHIWDVFOVCEC-UHFFFAOYSA-N	402.970	3.503	10	20	HHCD	
C[C@H](NC(=O)C1CCCCC1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	800833242	ZFMIQLGLLBUVCU-SFHVURJKSA-N	411.546	3.959	10	20	HHCD	
CN(Cc1ccc(F)cc1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803676768	QFAILKLXTYTSER-UHFFFAOYSA-N	411.521	3.869	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1ccccc1Cl	804525141	YYMZSOSXGWLVTI-UHFFFAOYSA-N	402.922	3.878	10	20	HHCD	
O=C(CN1CCC[C@@H]1c1cccnc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	805749324	WSEOFLSFZFFAAI-JOCHJYFZSA-N	411.461	3.633	10	20	HHCD	
CC(C)COC(=O)N1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	807838540	WMBDSEXAFNGGGA-UHFFFAOYSA-N	403.306	3.820	10	20	HHCD	
O=C(NCCC[C@H]1CCCCO1)C(=O)N(Cc1ccccc1O)C1CCCCC1	807998845	SBYNEWOCFUOTMU-HXUWFJFHSA-N	402.535	3.519	10	20	HHCD	
C[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)S1(=O)=O	810111528	OIEJXKRDIFNVQX-HZPDHXFCSA-N	400.504	3.548	10	20	HHCD	
CON(C[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	812009291	NLQUSMQHQYFVDG-AEFFLSMTSA-N	407.530	3.686	10	20	HHCD	
CC(F)(F)c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	814363664	OZPJPSOSOQDYQB-UHFFFAOYSA-N	407.436	3.773	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O	819756560	YNCNLTBSGNHPPS-SFHVURJKSA-N	401.503	3.671	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc2cnccc2s1	857455334	AZEMJIWUZUXLPW-LBPRGKRZSA-N	404.442	3.692	10	20	HHCD	
C[C@H](NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1	857758511	JACNCIWRQFDAMR-RBUKOAKNSA-N	421.541	3.967	10	20	HHCD	
Cc1cc(C(=O)NCCCCN2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1	915265907	ROTOBSHXKJMABV-UHFFFAOYSA-N	410.606	3.975	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1	915710455	JDSYRRUFDFQBOB-UHFFFAOYSA-N	424.545	3.669	10	20	HHCD	
COCC(=O)NC1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1	917183944	POVHDFWGMSSWBF-UHFFFAOYSA-N	411.546	3.585	10	20	HHCD	
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)nc1	918210123	RWZCOUARPYIUDK-FQEVSTJZSA-N	421.545	3.551	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCn2ccccc2=O)c(C)n1-c1ccc2c(c1)CCC2	919255552	QNGCJEDXQDQFHB-UHFFFAOYSA-N	418.493	3.561	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3csc(-c4ccc(C)n4C)n3)CC2)cc1	1116419330	GHCJFFNJYYINMO-UHFFFAOYSA-N	410.543	3.818	10	20	HHCD	
CN1CCN(c2ccc(CN[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2F)CC1	1255466781	BOEWIYNLZMUEEZ-RBUKOAKNSA-N	420.573	3.503	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCN2CCC(N(C)C)CC2)c1	1319364589	FSONCBXCBCRKSB-UHFFFAOYSA-N	402.970	3.503	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3nc(C)c(C)n3CC(C)C)CC2)cc1	5093816	RVCCNQSPOYVCJE-UHFFFAOYSA-N	416.591	3.605	10	20	HHCD	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1	28977826	ZMYIKPKTAVPNBY-CXUHLZMHSA-N	400.437	3.909	10	20	HHCD	
CC(C)Cn1ncc2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)cnc21	116275724	NDQAQMOTRNPKOD-UHFFFAOYSA-N	409.559	3.571	10	20	HHCD	
COc1cc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c([N+](=O)[O-])cc1OC	169942087	RJFHUFLICFLCRJ-XFFZJAGNSA-N	413.817	3.920	10	20	HHCD	
CCN(C[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1)CC(F)(F)F	472227068	ZDKYMYHGVMLQOQ-MRXNPFEDSA-N	410.484	3.902	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCc2cccc(Cl)c2Cl)n(C)c2ccccc12	576652717	PUITXSUYXBMKQV-UHFFFAOYSA-N	404.297	3.726	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCNC(=O)CC3CCCCC3)c2C)cc1	725722422	KQCDTHRLEKULOT-UHFFFAOYSA-N	411.546	3.919	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C\c2cnn(-c3ccc(F)cc3)c2)SC1=S	728200751	AXDSSEUTWVFDDN-MHWRWJLKSA-N	419.503	3.858	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Cn3cncn3)cc2)cc1	728839721	YLYGFGYVFUGUNG-UHFFFAOYSA-N	417.435	3.597	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)cc1	730106407	BMPZMJLIFUAUFR-UHFFFAOYSA-N	418.469	3.839	10	20	HHCD	
CCC(=O)N1CCC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)C1	731885321	NQBBQABVJBDYNN-FQEVSTJZSA-N	423.557	3.943	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)n1-c1ccccn1	733183585	IJRGLPXWRBHRCI-IRXDYDNUSA-N	412.534	3.959	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@@H]1NC(=O)OC(C)(C)C	741081926	AQCSAZVRUODRDF-LPHOPBHVSA-N	416.566	3.514	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(N2CCCCC2)cc1	742475823	AHBYQIDUSWAFTJ-UHFFFAOYSA-N	416.525	3.979	10	20	HHCD	
CNc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(Cl)n1	742803810	PZQTXJPCGLTGSE-ZDUSSCGKSA-N	410.852	3.777	10	20	HHCD	
COc1ccc([C@@H]2[C@H](C(=O)NCc3c(O)ccc4c3CCCC4)CCC(=O)N2C)cc1	743717750	GBFKSQOLTOBXSZ-HYBUGGRVSA-N	422.525	3.506	10	20	HHCD	
CN(Cc1ccc(I)cc1)Cc1ccc(N2CCOCC2)cc1	743839180	KEAFFARIJMLHGL-UHFFFAOYSA-N	422.310	3.760	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](Cc4ccccc4)C3)cc2F)CC1	745807626	GABQFJFAGIMTHB-QFIPXVFZSA-N	424.564	3.742	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCN(c2ccccc2Cl)C1=O	745813566	OZNHZQQIJQFILG-GOSISDBHSA-N	413.905	3.529	10	20	HHCD	
C[C@@H](NC(=O)CN[C@H](c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)cc1	746168783	QIWHMDKGHGGBCS-IIBYNOLFSA-N	421.463	3.594	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H](OC1CCOCC1)c1ccccc1	746673816	JCISXTFRYDAPGW-WZONZLPQSA-N	411.546	3.877	10	20	HHCD	
CN(C)c1ccc(CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1F	746797976	LAVGURVFYWIAED-UHFFFAOYSA-N	406.457	3.818	10	20	HHCD	
O=C(NCc1ccccc1O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	748346637	QQVLFZPJIWYGJC-UHFFFAOYSA-N	406.404	3.580	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1	749615555	WWWCYOUJHABGKP-ROUUACIJSA-N	414.619	3.786	10	20	HHCD	
Cc1ccc([C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C2CCCC2)o1	756572725	HTJCRFVMZWXMCF-JOCHJYFZSA-N	402.560	3.844	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CN[C@@H](C)c2cc(Br)cc(F)c2O)c1	756587494	ANRYRIYOEXXXMD-BTDLBPIBSA-N	414.271	3.695	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc3c(c2)CCCN3C)c(OC[C@H]2CCCO2)c1	757668727	XSGVIPWCGPKRFY-JOCHJYFZSA-N	423.557	3.935	10	20	HHCD	
COc1ccc(C[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	758511118	MRDJWCLHKIMYED-OKZBNKHCSA-N	414.521	3.943	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCN(C/C=C/c2ccccc2)CC1	759590151	MMFQQPIPWAGAAC-XBXARRHUSA-N	402.589	3.666	10	20	HHCD	
CN(Cc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C	761652894	YMOVZNVEYSOCLJ-UHFFFAOYSA-N	415.490	3.829	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](C)c3ccc(OCC(=O)NC4CC4)cc3)CC2)cc1	765073951	ACQMJOIPLFBQHQ-SFHVURJKSA-N	423.557	3.672	10	20	HHCD	
O=C1[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C1CCCCC1	765266906	KNKQVDBYBRRRQS-IBGZPJMESA-N	400.523	3.608	10	20	HHCD	
C[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(N2CCCCCC2)cc1	765332573	RGZZPGRFWPMAHC-REWPJTCUSA-N	403.636	3.926	10	20	HHCD	
CC[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N(C)C)cc1	765383501	ZCWLPPFOIKDKSZ-JOCHJYFZSA-N	401.576	3.778	10	20	HHCD	
C[C@@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	765686780	UVEYVGMXYOXPSU-FOIQADDNSA-N	412.427	3.763	10	20	HHCD	
CCN1CCN(C(=O)CC2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)CC1	769338634	SFPZZOXCVKEAJT-UHFFFAOYSA-N	421.585	3.825	10	20	HHCD	
COCc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769701739	MZUVDNJBUORZAZ-UHFFFAOYSA-N	418.496	3.653	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(F)cc1OC1CCCC1	770291664	YHHAYLGAFLFWNO-UHFFFAOYSA-N	423.535	3.841	10	20	HHCD	
CCC1(CC)[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[C@H](C)[C@H]1OC	770833254	XJCWAKDBMFKFKF-IOMROCGXSA-N	403.567	3.504	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc2nc(Cl)sc2c1	772864535	LFEHJCQUDLBXLM-UHFFFAOYSA-N	409.920	3.603	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4oc(C)c(C)c4c3)CC2)cc1	773297261	SHXJDHHQIDLAPS-UHFFFAOYSA-N	421.497	3.782	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccccc3Cl)C(C)C)nc12	775434973	SFZFSOYODPHPFL-GOSISDBHSA-N	402.882	3.752	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)cc1F	776035504	DEBNOCNRECEWOC-UHFFFAOYSA-N	415.437	3.555	10	20	HHCD	
C[C@H](Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCOCC2)c(F)c1	777675223	LBVUMEMBGZHMOZ-INIZCTEOSA-N	403.473	3.811	10	20	HHCD	
CN1CCc2cc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccc21	778672110	UIUQCWBHLRZQCO-UHFFFAOYSA-N	401.457	3.679	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCSCC1	779012368	MXYUVZBOGNTJSB-KRWDZBQOSA-N	415.582	3.564	10	20	HHCD	
CCOC(=O)c1c(NC(=O)Cc2ccn(C)n2)sc(C)c1-c1ccc(F)cc1	782216862	IUSSHKSWYNBGHB-UHFFFAOYSA-N	401.463	3.954	10	20	HHCD	
Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784110595	DFFHANQGQDYTBT-UHFFFAOYSA-N	419.485	3.789	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(Oc2ccccc2)cc1	788354170	HRLGAQMHRAMVLU-UHFFFAOYSA-N	417.509	3.820	10	20	HHCD	
COCc1ccc(OC)c(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	795828940	MWNKHCSMDZWTAS-UHFFFAOYSA-N	418.559	3.556	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c(O)c1	797620859	PXIFGICHPLOMEY-UHFFFAOYSA-N	407.923	3.929	10	20	HHCD	
Cc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)c(-c2cnn(C)c2)c1	801721234	RBNBEZDSNJQISV-UHFFFAOYSA-N	404.558	3.894	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)nc1Br	802609408	ACEIJMGOWDEQHZ-UHFFFAOYSA-N	420.307	3.626	10	20	HHCD	
O=C(CN1CC[C@H](C(=O)N2CCCC2)C1)Nc1ccc(N=Nc2ccccc2)cc1	805811829	UVQYVPTVIYMTQQ-SFHVURJKSA-N	405.502	3.985	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1)c1ccc(N(C)C)cc1	807672661	FQPXIZZIVMIOBR-MSOLQXFVSA-N	416.525	3.869	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1)c1ccc(N(C)C)cc1	807677594	QYOGEWRCXLHWJZ-PBHICJAKSA-N	411.468	3.511	10	20	HHCD	
C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	914490654	AZKHDCGQHNXWET-CHWSQXEVSA-N	406.438	3.925	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1	914508055	UGRQRXQLSSBDRL-JOCHJYFZSA-N	409.530	3.921	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3c4ccccc4C[C@@H]3C)cc2F)C[C@@H](C)O1	916967624	QVXNLLDZGFOMMA-OKZBNKHCSA-N	411.521	3.507	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCCN(C(=O)CC)CC3)c2C)cc1	917409507	DFYUVMWMAMHSPE-UHFFFAOYSA-N	411.546	3.620	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)n2)s1	917902436	LHTSADQUQZARPC-UHFFFAOYSA-N	410.502	3.901	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1	918743901	OJDIOHNGKOUXCC-UHFFFAOYSA-N	405.520	3.879	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCC(=O)Nc2ccc(Cl)cc2)C2CC2)cc1	919783537	RTHVJUFZKIAWEL-UHFFFAOYSA-N	400.910	3.719	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1cccc(Cl)c1F	1318910469	VWJZTWSTBVIZLR-UHFFFAOYSA-N	405.901	3.687	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CCNCc3ccc(N4CCN(C)CC4)c(F)c3)cc2)n1	1322599207	DSVHOZNSKIPPPX-UHFFFAOYSA-N	421.564	3.712	10	20	HHCD	
CCCN(Cc1nc(O)c2sccc2n1)C(=O)NCc1ccc(N2CC=CC2)cc1	1323120851	XFHGILIPXYDWIZ-UHFFFAOYSA-N	423.542	3.895	10	20	HHCD	
COc1cc(F)cc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	1323856539	DOGKXJBOEWOIFK-UHFFFAOYSA-N	422.459	3.655	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)Cc2ccc(Br)cc2F)cc1	1338448044	TUKDHHLSQSCTIW-UHFFFAOYSA-N	415.328	3.616	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(F)ccc3Br)CC2)cc1	1340945364	MALSHBIPBQZXQT-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCCOc3ccccc3C)cc2F)CC1	303357602	ZTZBLJPFORHVMP-UHFFFAOYSA-N	413.537	3.751	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)c1	303187295	VSYQTJAZIIFQOV-UHFFFAOYSA-N	404.457	3.632	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1	49512209	JUBJYVIZPMJHGA-UHFFFAOYSA-N	408.329	3.554	10	20	HHCD	
CC(C)[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1	97394710	DTUYXGTZTSOECD-JOCHJYFZSA-N	421.545	3.938	10	20	HHCD	
CN(C(=O)c1cccc(NS(=O)(=O)c2cccc3nsnc23)c1)c1ccccc1	614863255	GPLBJJCCJLFPQN-UHFFFAOYSA-N	424.507	3.769	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2nc(-c3ccccc3)cs2)n(C)c2ccccc12	472778546	NPQOFIUBOMFLGV-UHFFFAOYSA-N	404.495	3.865	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2cc(F)c(F)cc2Br)cc1F	805835239	LKCMTRXVOLSXDG-UHFFFAOYSA-N	416.241	3.932	10	20	HHCD	
C[C@H](O)c1ncc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1	809631260	SPXVKZAGYXPMHB-KBXCAEBGSA-N	420.579	3.618	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@]3(C)CCCS3)cc2Cl)C1	807774558	BXRFMFWSZFBQCF-BTYIYWSLSA-N	424.010	3.594	10	20	HHCD	
COc1ccc(-c2ocnc2C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	808355947	QRFJHSNXWGUNHF-UHFFFAOYSA-N	407.470	3.758	10	20	HHCD	
Cc1ccc(CN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C2CC2)cc1C	561628240	JHQYTEXFIOKPKE-UHFFFAOYSA-N	403.526	3.911	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(CC2CC2)n1C[C@H]1CCOC1	802763525	XTCZYXGZFHLICQ-OAQYLSRUSA-N	409.578	3.894	10	20	HHCD	
CN(C)c1ccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(C(F)(F)F)c1	811515210	OQNUXQXGHBFFSM-GFCCVEGCSA-N	411.390	3.662	10	20	HHCD	
CCc1nc2ccc(Cl)cn2c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	812453722	RRFCLSLLUBJRHO-UHFFFAOYSA-N	412.921	3.659	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)ccc21	484985396	RSXLTPJHLMELQE-UHFFFAOYSA-N	423.513	3.532	10	20	HHCD	
CS(=O)(=O)c1cc(CNCc2cc(Cl)c(F)cc2O)cc(C(F)(F)F)c1	816602979	UQCNDFIOIVMAKR-UHFFFAOYSA-N	411.804	3.897	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc(I)cc2Cl)cc1	727985967	MHJFFVUBUOJZDO-UHFFFAOYSA-N	414.674	3.941	10	20	HHCD	
C[C@H]1CN(C(C)(C)CNC(=O)N(Cc2ccco2)Cc2ccccc2O)C[C@H](C)O1	726091154	HGUVDHSAQGOECT-ROUUACIJSA-N	415.534	3.585	10	20	HHCD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	729633108	WIVILNXZCKJWSC-UHFFFAOYSA-N	403.548	3.907	10	20	HHCD	
CCCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1O	727830630	DXILMNUOBQBHPV-FQEVSTJZSA-N	412.530	3.985	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1F	731364797	NXFKSSPKBMDIOG-UHFFFAOYSA-N	420.916	3.555	10	20	HHCD	
O=C(C1CCC1)N(CCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1	731360477	GPVAJDLELTWMCC-UHFFFAOYSA-N	414.550	3.856	10	20	HHCD	
CN(CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)Cc1ccccc1O	731843594	RRJWUTBGGWFZMF-UHFFFAOYSA-N	424.522	3.890	10	20	HHCD	
CC1CCC(=CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1	734101928	RTORGRBYJHKHLL-UHFFFAOYSA-N	423.536	3.695	10	20	HHCD	
C[C@@H]1Cc2cc(S(=O)(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc2O1	730016494	FAFPLMODYWKDEU-QGZVFWFLSA-N	400.544	3.821	10	20	HHCD	
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	733120251	CIPJICDRFXUFNH-OAHLLOKOSA-N	410.967	3.572	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3cc(Br)cs3)cs2)cn1	733732059	VAOXKDDHSZUNJI-UHFFFAOYSA-N	419.351	3.651	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@@H](O)c1cc(OC)ccc1OC	743871312	BGAUILBYXHRUOU-GOSISDBHSA-N	410.308	3.727	10	20	HHCD	
Cc1cc(C(=O)Cn2nccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1	918161131	XMEKIZBKRNKQRO-UHFFFAOYSA-N	403.236	3.844	10	20	HHCD	
Cc1sc2ncn(CCC(=O)NCc3ccc(N4CCCCC4)cc3)c(=O)c2c1C	742475886	DBDNPNYFYGMUOU-UHFFFAOYSA-N	424.570	3.772	10	20	HHCD	
O=c1c(Cl)c(NCCCSc2nccs2)cnn1-c1ccc([N+](=O)[O-])cc1	746461356	UVXRTMYQXLFVPY-UHFFFAOYSA-N	423.907	3.845	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N2CCCCC2)cc1	918304406	PVEZRWCSAKWTOM-UHFFFAOYSA-N	408.546	3.730	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(NC(=O)OC)c1	743808180	NMALOSGLMXUSPF-UHFFFAOYSA-N	407.264	3.995	10	20	HHCD	
CNC(=O)c1cccc(CCNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1	741083143	KYCYHBKONVXLDM-UHFFFAOYSA-N	422.573	3.857	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)nc3)cc2F)C[C@H](C)O1	746514818	ZCIKBIDKUQWIPQ-STQMWFEESA-N	422.298	3.527	10	20	HHCD	
CCc1nc(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1	743580007	AZZXWQASFXCQRV-CQSZACIVSA-N	424.517	3.818	10	20	HHCD	
CNc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1[N+](=O)[O-]	916565875	MLVUERWZKYFVIQ-LJQANCHMSA-N	412.490	3.524	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOc2ccccc21	742800356	QNGHWIGYQFSZFY-KXBFYZLASA-N	402.441	3.939	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)NCc2c(O)ccc3c2CCCC3)cc1	743719395	WOPMSLCVIIPJEP-UHFFFAOYSA-N	408.527	3.569	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	749729894	DLUDIOWRTMJITF-UHFFFAOYSA-N	424.979	3.634	10	20	HHCD	
Cc1cc(CCNC(=O)N(CCC(N)=O)Cc2ccccc2)c(C)n1-c1ccccc1	916221171	SGZXIRGUIAULCB-UHFFFAOYSA-N	418.541	3.724	10	20	HHCD	
Cc1cc(=NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c[nH]1	747524380	CWQJMMNVEBIXPE-MHWRWJLKSA-N	417.581	3.802	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccccc3)ccc21	742597158	OQIADGCMQGLTJM-OAQYLSRUSA-N	423.557	3.994	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C)cc1	740811820	CLFMJNVHWOILKE-UHFFFAOYSA-N	416.952	3.991	10	20	HHCD	
COc1cc(C(=O)N(C)C)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	752707802	GQULBPZVFPUWBK-UHFFFAOYSA-N	410.518	3.660	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)c1	756529785	VREXWBHCXSEEBS-CZUORRHYSA-N	404.894	3.770	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(C)cc3Cl)CC2)cc1F	753861518	RHGHAUWMWQXXPW-HNNXBMFYSA-N	405.901	3.945	10	20	HHCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	758559315	SKUBUIXVHMZWSX-SECBINFHSA-N	420.393	3.684	10	20	HHCD	
C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(N2CCCCC2)cc1	759597354	YEVKCIAZWQYNDE-GXDWLZFVSA-N	410.470	3.672	10	20	HHCD	
CC(C)CC(=O)N1CCC(N[C@H](C)c2cc(Br)c(F)cc2O)CC1	756490655	QMOJXTBDBYWEBU-GFCCVEGCSA-N	401.320	3.982	10	20	HHCD	
CC(C)(C)c1cnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)s1	759714857	XQZUKUYUZYMXRU-UHFFFAOYSA-N	407.517	3.652	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1CCC(F)(F)F	757264682	BWDSZTUDECCESG-UHFFFAOYSA-N	417.431	3.813	10	20	HHCD	
C[C@@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1cc(Cl)ccc1O	756434468	NROOLUGIULXORP-MRXNPFEDSA-N	417.937	3.557	10	20	HHCD	
C[C@H](NC1CCN(C[C@H]2CCOC2)CC1)c1cc(Br)cc(Cl)c1O	756584990	ICXBTBKGPITFTB-QWHCGFSZSA-N	417.775	3.960	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)CN(C)C	754355567	ARZNYDQZSWLBNZ-CVEARBPZSA-N	412.525	3.532	10	20	HHCD	
Cc1ncc(S(=O)(=O)NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)s1	755875036	SMQOAXJXUONMAH-UHFFFAOYSA-N	423.947	3.560	10	20	HHCD	
CCCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccccc1O	750874684	GBZINNMVPGZRTA-UHFFFAOYSA-N	409.530	3.915	10	20	HHCD	
COc1ccc(CNCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)cc1C	756044767	HYQCQOBKIKOHMR-UHFFFAOYSA-N	416.587	3.855	10	20	HHCD	
C/C(=C\c1ccccc1)CN(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	755592825	DKXUXBPLGBVLPX-JIKIWWBOSA-N	420.557	3.633	10	20	HHCD	
CC(C)N1CC[C@@H](N[C@@H](C)c2cc(Br)cc(Br)c2O)C1=O	756710123	UZVQXQQQOAIBGL-TVQRCGJNSA-N	420.145	3.577	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cnc1Cl	767671221	JXTZKHJMYHEGGC-UHFFFAOYSA-N	409.876	3.560	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1csc(Nc2ccccn2)n1	765771008	VCPVQOVHPJSGLJ-UHFFFAOYSA-N	405.277	3.680	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	769562549	FREAVQZNKCUCDE-HXOBKFHXSA-N	420.553	3.887	10	20	HHCD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	764852315	JKPBUVZKYAMOSU-ORQYLMBXSA-N	414.521	3.529	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1	760093133	UHQIUMYMCNBMBF-GOSISDBHSA-N	419.529	3.546	10	20	HHCD	
Cc1cc(-c2nnc([C@H](C)S(=O)(=O)C3CCOCC3)o2)c(C)n1-c1ccccc1	1118129492	YPFLDTWBHAXWJK-INIZCTEOSA-N	415.515	3.799	10	20	HHCD	
C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@@H](C)c1ccc(N2CCCCC2)cc1	766070796	KIJRHNDXVYYISV-VXKWHMMOSA-N	407.606	3.933	10	20	HHCD	
COc1ccc(Cn2nccc2NC(=O)NCc2ccc(N(C)C)cc2C)c(OC)c1	779465180	BEGCUPGCLFJXSH-UHFFFAOYSA-N	423.517	3.645	10	20	HHCD	
COC(=O)[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1F	779177840	IRLXPQPQKJGGSY-HXUWFJFHSA-N	401.438	3.728	10	20	HHCD	
COc1ccc(O)c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1	775642229	IJINHKRQBOHWRP-UHFFFAOYSA-N	401.816	3.790	10	20	HHCD	
CCC(=O)c1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	771199493	DRRGDBAQGRWINL-UHFFFAOYSA-N	406.438	3.745	10	20	HHCD	
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773742374	UOHQFQMMJIKAPU-AWEZNQCLSA-N	418.497	3.591	10	20	HHCD	
C[C@H](NC(=O)N1CCSC[C@@H]1c1nccs1)c1ccc(N2CCOCC2)cc1	771310545	MSTFDFRJFDLLFC-MAUKXSAKSA-N	418.588	3.540	10	20	HHCD	
CCc1cnccc1CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	779363125	YZBULGFHNKIWOX-QGZVFWFLSA-N	404.461	3.714	10	20	HHCD	
CCOC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(OC)c(Br)c1	779179011	SFZJONSIDCIGJD-IBGZPJMESA-N	420.303	3.787	10	20	HHCD	
O=[N+]([O-])c1ccc2nc(CNCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[nH]c2c1	775178331	GJSLNOHIPBZCJX-UHFFFAOYSA-N	410.434	3.659	10	20	HHCD	
CN1C(=O)c2cc(Br)ccc2N[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	771098947	BCMDQXNFPSXGLT-CQSZACIVSA-N	412.627	3.913	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H](C)c1ccc(C)cc1	786725399	RZCOJMCELNLFNY-CQSZACIVSA-N	419.319	3.689	10	20	HHCD	
C[C@@H](NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1cc(Cl)ccc1O	788611065	FDTOBXKRSGKBFC-WBVHZDCISA-N	420.912	3.553	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)c(C)o1	799186790	HAMMZFJRKZVSJR-UHFFFAOYSA-N	418.500	3.798	10	20	HHCD	
CCOC(=O)c1csc([C@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2C)n1	790373559	CQPQEIGVIBDWHN-GOSISDBHSA-N	416.547	3.741	10	20	HHCD	
CCC1=C(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCO1	790677037	NDPIENBCTFNRGW-IBGZPJMESA-N	417.550	3.909	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1	797430052	LRPUICUNKLBBMV-UHFFFAOYSA-N	423.343	3.946	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCCc2cccc(OCC(F)(F)F)c2)c1O	793373063	IATDXVKLICSCGT-UHFFFAOYSA-N	400.353	3.582	10	20	HHCD	
Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	797750791	KUWRMWBRPAFOTA-QRWLVFNGSA-N	414.502	3.719	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@H](Cc2ccccc2)C(=O)O)cc1F	797718973	ITYLCOOFWJCDNQ-HXUWFJFHSA-N	401.482	3.509	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(F)c(F)c(O)c1F	791245629	CEXUHHGNCQTNOF-UHFFFAOYSA-N	424.419	3.812	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)c(O)c1	794382751	GTTVWBLMFXCZQZ-DQLDELGASA-N	422.525	3.801	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)cc2F)CC1	1319841802	XALBAEJTPOVWNZ-QPPBQGQZSA-N	415.528	3.805	10	20	HHCD	
C[S@@](=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	1318899068	JXJGFVXKPQWXBR-MHTXLSKPSA-N	423.485	3.816	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(C)n(CC4CC4)c3C)cc2F)CC1	1251690554	NXPHSPPYVQXLSP-UHFFFAOYSA-N	412.553	3.726	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	1337155427	FXBRBUQNKXKRPB-GHTZIAJQSA-N	411.521	3.618	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cn2ccc(C(F)(F)F)n2)c(C)n1-c1ccccc1	11432751	ZXVTWCPHMFZFON-UHFFFAOYSA-N	405.376	3.736	10	20	HHCD	
CC(=O)c1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1	12617416	GNODSUOZKQOWNM-UHFFFAOYSA-N	414.373	3.825	10	20	HHCD	
Cc1cccc(OCCCCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	57396203	VMTJEDVLMVXYPH-UHFFFAOYSA-N	400.494	3.836	10	20	HHCD	
CN(c1ccc(CNC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1)C1CCCCC1	116030438	QTUCTDBIOOMWFF-UHFFFAOYSA-N	420.513	3.589	10	20	HHCD	
O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4ccc(Cl)s4)cs3)cc21	195534922	IXXXNZWAQDNPEQ-UHFFFAOYSA-N	412.901	3.996	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccn(Cc4ccccc4)n3)CC2)cc1	195547148	LILXGISRDSUBDC-UHFFFAOYSA-N	405.502	3.684	10	20	HHCD	
COc1ccc(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)o2)c([N+](=O)[O-])c1	237420098	UPZZAFKAQBSMSV-UHFFFAOYSA-N	423.469	3.990	10	20	HHCD	
Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1	303341271	WDBNILQUMIKGIW-CQSZACIVSA-N	406.527	3.638	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ncoc3-c3ccc(C)cc3)cc2F)CC1	304046676	OLRHROWTQMQZDK-UHFFFAOYSA-N	422.504	3.861	10	20	HHCD	
COc1cccc(OC)c1Oc1ccc(CNCc2cc([N+](=O)[O-])ccc2O)cn1	725847276	XSQFCIKSNGMUSG-UHFFFAOYSA-N	411.414	3.795	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(OC)c3OC(F)F)CC2)cc1	726561232	GMBKUWYPSUHECO-UHFFFAOYSA-N	406.429	3.704	10	20	HHCD	
CN(C)c1ccc(CN(Cn2nc(-c3ccccc3)oc2=O)CC(F)(F)F)cc1	728904936	YRBIJSAKYQKNBP-UHFFFAOYSA-N	406.408	3.591	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)OCc3nn4c(=O)cc(C)nc4s3)c2C)c1	728985324	SGBBDIOIALRLGQ-UHFFFAOYSA-N	408.483	3.532	10	20	HHCD	
CC[C@@H](C)OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	729078329	IPALSEDBGFSDKF-SEEODLKFSA-N	414.346	3.992	10	20	HHCD	
CC(C)(C)c1csc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1	729506882	VBQRHUZFFPWNLF-UHFFFAOYSA-N	416.591	3.649	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccccc3Cl)cc2F)CC1	730134330	YENRGNNCDQICNB-UHFFFAOYSA-N	418.944	3.963	10	20	HHCD	
CC(=O)NCCCc1ccc(-c2csc(NS(=O)(=O)c3ccccc3)n2)cc1	731058844	CPHRBTBHWBQJNF-UHFFFAOYSA-N	415.540	3.680	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2OC)cc1F	731356373	DSNQXPPMUBHKBV-UHFFFAOYSA-N	400.903	3.812	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCNC(=O)CC2CCCCC2)cc1F	731363980	RDCRCNFMOYAZEH-UHFFFAOYSA-N	406.546	3.558	10	20	HHCD	
Cc1cc(C(=O)Nc2cccnc2N2CCC(O)CC2)c(C)n1-c1ccc(F)cc1	733361674	PWLAMYGNFIJKHN-UHFFFAOYSA-N	408.477	3.842	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1	734651118	UKTKEJRTHOBQJQ-UHFFFAOYSA-N	412.515	3.578	10	20	HHCD	
O=C(CCOc1cccc(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1	735828659	HMTWDXOSVXICLQ-UHFFFAOYSA-N	402.922	3.634	10	20	HHCD	
Cc1cc(C(=O)N2CCN(CC3CCOCC3)CC2)c(C)n1-c1ccc(Cl)cc1	736257205	HHLUXGHAWZDATL-UHFFFAOYSA-N	415.965	3.932	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)CCc3cc(Cl)cs3)CC2)cc1	736459470	SJMLYRPRTVAHMW-UHFFFAOYSA-N	421.994	3.671	10	20	HHCD	
CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1	741136081	CGJVHYNFVJLVPJ-UHFFFAOYSA-N	401.532	3.570	10	20	HHCD	
CC/C(=C/C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(C)cc1	741543294	IMTIQEOIAMAZEI-MNJKBJKMSA-N	405.542	3.807	10	20	HHCD	
CN(C)C(=O)COc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	742379684	YYXVGBNPUPRPRY-UHFFFAOYSA-N	412.490	3.664	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C	745494277	QPICRTORQLHCKV-LSDHHAIUSA-N	412.372	3.949	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)[C@H](C)Cc3ccccc3OC)CC2)cc1	745801101	VUADAFDVMCCXPT-GOSISDBHSA-N	411.546	3.945	10	20	HHCD	
C[C@H]1c2cccn2CCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745904097	LPMMOADEEHMAAD-JKSUJKDBSA-N	404.461	3.845	10	20	HHCD	
C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccc(N2CCOCC2)cc1	746169305	YQUPXANZXKQUFK-GBXCKJPGSA-N	407.558	3.755	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](COC)c1ccc(C)o1	746778092	SOTRZSSCVAOGQL-OAHLLOKOSA-N	411.296	3.975	10	20	HHCD	
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	747831649	XGXQKLZJKWFXMN-HXOBKFHXSA-N	419.566	3.641	10	20	HHCD	
Cc1cnc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)s1	751071148	SYAYEKARYCYAGS-NSHDSACASA-N	423.541	3.510	10	20	HHCD	
O=c1ccc2cc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)ccc2[nH]1	751127379	MHRKOPWQBQYKDF-UHFFFAOYSA-N	401.444	3.592	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(COC3CCOCC3)cc2)c1	752207945	XBCMLMKJBFGBRO-MRXNPFEDSA-N	414.502	3.657	10	20	HHCD	
Cn1cc(-c2nc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cs2)cn1	754539735	YLUUKKYWXWOJOA-UHFFFAOYSA-N	414.446	3.571	10	20	HHCD	
COCC(=O)Nc1cccc(CN[C@@H](C)c2cc(Br)cc(F)c2O)c1	756381068	WPWQSUHIIXEPNH-NSHDSACASA-N	411.271	3.730	10	20	HHCD	
C[C@@H](Cn1ccnc1)N[C@@H](C)c1cc(Br)cc(Br)c1O	756405374	ZSCFXOFZNCPURN-UWVGGRQHSA-N	403.118	3.853	10	20	HHCD	
C[C@@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)c1ccc2ccccc2c1O	756577614	ZBIGOIKGVYBMDS-LJQANCHMSA-N	409.574	3.921	10	20	HHCD	
C[C@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc(Br)cc(Cl)c1O	756738691	KMALZHNCBJVEKC-DLOVCJGASA-N	410.761	3.815	10	20	HHCD	
COc1ccc(C(C)(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	757613781	LPAXNWMGEHJCGI-KRWDZBQOSA-N	412.530	3.695	10	20	HHCD	
C[C@H](NC1COC(C)(C)OC1)c1cc(Br)cc(Br)c1O	757698830	UBKBIUMUTCPRAS-QMMMGPOBSA-N	409.118	3.719	10	20	HHCD	
CC1(C)Cc2cc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc2O1	759495605	BVXDVGBGRMFYCL-UHFFFAOYSA-N	420.465	3.866	10	20	HHCD	
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)c2)n1	760091016	JHCZNRRUHMTFEW-UHFFFAOYSA-N	418.497	3.814	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(I)c(O)c1	760846867	SQMLWVZODUECFW-UHFFFAOYSA-N	422.266	3.527	10	20	HHCD	
CN1C(=O)N(CCCSc2nccs2)C(=O)[C@H]1c1cc(F)c(F)c(F)c1	761300938	SZNOETXYOZAPDZ-CYBMUJFWSA-N	401.435	3.678	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)cc1Br	764253628	LGLUMCVLAYCDGB-UHFFFAOYSA-N	424.726	3.766	10	20	HHCD	
Cc1ccc([C@H](C)[C@H](O)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	764852312	JKPBUVZKYAMOSU-FXKZBUDASA-N	414.521	3.529	10	20	HHCD	
COc1cc(C)c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1OC	765288246	XLKZHOKUUONEHB-MRXNPFEDSA-N	402.510	3.963	10	20	HHCD	
O=C(NCc1cc(-c2ccccc2)on1)NCc1cccc(Br)c1O	765478709	DWQLHONKNMLCCE-UHFFFAOYSA-N	402.248	3.809	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)nc1C	768011684	PBNANHADHPUSBY-UHFFFAOYSA-N	404.473	3.989	10	20	HHCD	
C[C@H](N[C@H](C)CCCOc1ccccc1C(N)=O)c1ccc(N2CCOCC2)cc1	768686124	ICXAHEPOTXUBTK-MOPGFXCFSA-N	411.546	3.520	10	20	HHCD	
Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1	769534232	TWDOUUHMADNVCS-FQEVSTJZSA-N	408.521	3.985	10	20	HHCD	
COc1cc(Br)cc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1O	772601499	SHOIGCSHVQKTPT-ZDUSSCGKSA-N	417.307	3.937	10	20	HHCD	
CCOc1c(OC)cc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1OC	773260551	SCFRBYSVJKTBEL-OAHLLOKOSA-N	401.507	3.729	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(N(C)C)cc1	773622511	FGAYRJPCZUAWLF-MRXNPFEDSA-N	412.490	3.975	10	20	HHCD	
CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	775776005	BFYMLEHILGVVAY-VGOFRKELSA-N	415.509	3.580	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccc(O)c1O)c1ccccc1	776281587	IDGOLRLDIDTXQQ-OAQYLSRUSA-N	407.422	3.952	10	20	HHCD	
Cc1cc(C)n2nc(C(=O)N(Cc3ccccc3O)[C@@H](C)c3ccccc3)nc2n1	777822764	LGEOTBWWCWKJSC-KRWDZBQOSA-N	401.470	3.850	10	20	HHCD	
CC(C)Oc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	779152075	HAOVCGTWNSBREF-UHFFFAOYSA-N	413.493	3.809	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1	779479972	RKVRELVGCCPOBK-UGAXZCSASA-N	404.869	3.857	10	20	HHCD	
CCc1ccc([C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C(C)C)cc1	785492496	BXPFLXDDNZKVDX-QHCPKHFHSA-N	405.542	3.755	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1	786256597	GTEUUQBZTPYYBV-UHFFFAOYSA-N	413.521	3.952	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(-n4cccn4)cc3C)CC2)cc1F	789347775	OFOAPSCSPFPRNF-UHFFFAOYSA-N	409.465	3.683	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(C3CCC3)cs2)cc1F	789481239	FERDAFIVNPSLOQ-UHFFFAOYSA-N	404.511	3.651	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1OC	790478300	NYMPCBNQLWRAPM-UHFFFAOYSA-N	411.892	3.677	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](Nc2cccc(Br)c2)C1	791165842	WZOZKDLJZQJYII-LKUPDRCFSA-N	417.303	3.977	10	20	HHCD	
CN(C)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C(F)(F)F)c1	792827366	CUVYGULHMUMDAO-CQSZACIVSA-N	409.412	3.761	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1Cc2ccc(F)cc21	793102834	PEJKQCYTGWEWEB-GOSISDBHSA-N	408.395	3.637	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(CN4CC[C@@H](O)C4)c3)c2C)cc1	794566497	NPWDMKZTDUSBOZ-JOCHJYFZSA-N	419.525	3.922	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(Br)c1	794687652	UEMDZXGNZGQXCY-KPKJPENVSA-N	416.318	3.524	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c(F)c1	795612590	ONWXUZZJXCDQEO-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
COc1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1OCC(N)=O	796270364	KGHJVHCRPGZSIJ-UHFFFAOYSA-N	417.509	3.734	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)CS(=O)(=O)c1ccccc1	802260306	DHGIBSLMDNKLGM-IBGZPJMESA-N	418.559	3.956	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1	802297990	ADBFQQUQXXQKPZ-SFHVURJKSA-N	418.559	3.875	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCCOC1CCC1	805389668	KVWBASSOEAQUQE-NTCAYCPXSA-N	411.570	3.842	10	20	HHCD	
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O	805455971	INCDCYCGQLGWES-BQYQJAHWSA-N	422.312	3.718	10	20	HHCD	
Cc1cscc1CNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	807954089	IPJNRWIAJWAHAW-AWEZNQCLSA-N	419.978	3.879	10	20	HHCD	
O=C(COc1ccccc1CNCc1cc(Cl)cc(Cl)c1O)N1CCCC1	809775573	DTAWCFJPLGRPSC-UHFFFAOYSA-N	409.313	3.990	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnnc(-c2ccccc2)c1	810630809	CHZXVXUXRCZQQU-FQEVSTJZSA-N	422.916	3.897	10	20	HHCD	
CCCCN(C)C[C@@H](C)NC(=O)N(CC)Cc1cc(Br)ccc1O	812508380	YGWFNSQYQKTRPK-CQSZACIVSA-N	400.361	3.807	10	20	HHCD	
C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)NCc1ccc2c(c1)CCCN2C	813612528	ABHVVSJWHALKJQ-QGZVFWFLSA-N	418.582	3.952	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H]3OCCc4sccc43)CC2)cc1	813622874	UNUWHYRPBGZYJE-BTYIYWSLSA-N	415.559	3.727	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2C(=O)OCC2(C)C)c(C)n1-c1ccccc1Br	819777427	HHHJYAXHGCBFCU-INIZCTEOSA-N	405.292	3.538	10	20	HHCD	
Cc1ccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)c1	914488507	YTMBUAUECKEPQW-UHFFFAOYSA-N	414.417	3.917	10	20	HHCD	
COc1cc(F)ccc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	915749119	QVKRZAPPNHYMRH-UHFFFAOYSA-N	409.461	3.539	10	20	HHCD	
CN(C)CCOc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	916681356	TWJRIYJBFXFMKT-NRFANRHFSA-N	413.518	3.546	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C(=O)S/C(=C/c2cccs2)C1=O	917524563	XQBOFSPRAZCBEA-GZTJUZNOSA-N	415.540	3.509	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1ccco1)Cc1ccco1	918217774	MOIQLWUEPJLELX-UHFFFAOYSA-N	413.449	3.760	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N(Cc3ccccn3)C3CC3)cc2F)C[C@@H](C)O1	918220527	KPWSZJCWEUIPDT-IAGOWNOFSA-N	412.509	3.709	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1	918564294	BJWWCFGTGCQYBO-UHFFFAOYSA-N	424.520	3.807	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1nccs1	918588866	JSFXPRZYNWHUJX-FMIVXFBMSA-N	409.583	3.502	10	20	HHCD	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1C	918746520	SCEPMQKAFNMNCX-UHFFFAOYSA-N	403.504	3.631	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(OCC(F)(F)F)n1	1320916339	MAWJTZFOXHZROP-UHFFFAOYSA-N	410.440	3.820	10	20	HHCD	
Cc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1C	1324793521	PHXYBYDXDAVMJC-UHFFFAOYSA-N	405.498	3.733	10	20	HHCD	
COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C)c(O)c2O)c2ccccc2)c1	110524912	IECJVAIEUSBJOM-OAQYLSRUSA-N	407.422	3.952	10	20	HHCD	
C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN(C)Cc1ccc(N3CCCCC3)cc1)C2=O	24575503	LPQUXMUZTGYRDP-RTBURBONSA-N	412.578	3.813	10	20	HHCD	
CCc1cc2c(CN[C@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2cc1O	140203416	UBAYMMPYVPYEHR-MRXNPFEDSA-N	408.498	3.748	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)n(C)c2ccccc12	550761115	MSGZXTQTZZPTJB-CQSZACIVSA-N	415.440	3.582	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NCc3ncc(C4OCCO4)s3)C2)cc1	809624333	KIUXSMJNXFKAAV-CYBMUJFWSA-N	411.474	3.549	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(Cc1ccco1)Cc1cccs1)c1ccc(N(C)C)cc1	807673513	VAGGEXHEAZXDOQ-MRXNPFEDSA-N	411.527	3.813	10	20	HHCD	
Cc1cc(C(=O)N2CCC(CS(C)(=O)=O)CC2)c(C)n1-c1cccc(Cl)c1	817040485	FHOFIOMYHWPSIZ-UHFFFAOYSA-N	408.951	3.644	10	20	HHCD	
COCC1(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCOCC1	813611116	ZJZDALNABJLHFQ-UHFFFAOYSA-N	403.567	3.698	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCOC(C)(C)C1	812010054	UCCCHGGSACDBEM-LNLFQRSKSA-N	421.557	3.928	10	20	HHCD	
COC(=O)C1(CS(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCCCC1	813646984	PQPJDEIOIOEZOF-UHFFFAOYSA-N	422.591	3.562	10	20	HHCD	
CC(C)(C)c1cc(CN2CCC[C@@H](n3cc(CO)nn3)C2)c(O)c(C(C)(C)C)c1	816641983	LPCGHICTTODFAY-LJQANCHMSA-N	400.567	3.908	10	20	HHCD	
O=C1N=C(SCCN2CCCS2(=O)=O)S/C1=C\c1csc2ccccc12	814772833	GBKSYAQRPINWNX-GDNBJRDFSA-N	424.594	3.640	10	20	HHCD	
COCCOc1ccccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565663	JTDVKMLAJUWRLT-UHFFFAOYSA-N	420.456	3.712	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1ccc(F)cc1F)C1CC1	728750239	DVVCNNCLHREUOJ-UHFFFAOYSA-N	401.457	3.676	10	20	HHCD	
Cc1nnnn1-c1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1F	727938953	TWQVNZZINBZGSO-UHFFFAOYSA-N	422.420	3.643	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2c2cccc(OC)c2)c1	726797072	ZLSISGBCGCCLMC-NRFANRHFSA-N	404.422	3.959	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1cc(F)ccc1Cl	728581078	BQTOSWNMLCHTSQ-UHFFFAOYSA-N	400.928	3.511	10	20	HHCD	
O=C1OCCN1c1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	727469104	RSNSJZYXOOGBGC-UHFFFAOYSA-N	410.474	3.832	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3nccn3CC(F)(F)F)SC2=S)cc1	728696554	VZXDKOCWBRBQOC-UKTHLTGXSA-N	412.462	3.917	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCCC1	725868920	FYPVLTRJEZAVGX-PZJWPPBQSA-N	400.567	3.546	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)c1	728945626	CLIJDSXPKXUEGH-QWHCGFSZSA-N	404.463	3.548	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(Oc4nccs4)c3)c2)CC1	739768155	MABLXXZTKVYCEE-UHFFFAOYSA-N	422.510	3.889	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c1	734018289	MGKUXAVQVGPFCQ-UHFFFAOYSA-N	403.438	3.558	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccnc1Oc1ccccc1	734703617	RCHHOXLAYBXVLB-UHFFFAOYSA-N	404.470	3.503	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Oc2ccncc2)c1	732956279	CXNQFCUGUYDSKG-UHFFFAOYSA-N	407.445	3.780	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4)[nH]3)cc2F)CC1	731991441	RITDHESBPCMOCT-UHFFFAOYSA-N	406.505	3.893	10	20	HHCD	
Cc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-]	734490283	DKLWHIDZWBTRLG-UHFFFAOYSA-N	403.504	3.714	10	20	HHCD	
CCOc1cc(F)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	918308032	CPDVLZSXWWZMRP-UHFFFAOYSA-N	413.493	3.812	10	20	HHCD	
O=C(Nc1cccc2ccccc12)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918296702	ZEUHUAQWTFQDJH-LJQANCHMSA-N	404.466	3.692	10	20	HHCD	
O=C(CN1CCN(C[C@@H]2CCCO2)CC1)Nc1ccc(N=Nc2ccccc2)cc1	916150029	OATWIKROTUDFPY-QFIPXVFZSA-N	407.518	3.837	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCOCc3ccccc3)cc2F)C[C@H](C)O1	918161980	QHZYCZHSRZVGAZ-ROUUACIJSA-N	400.494	3.662	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c(C)n1-c1ccc(Cl)cc1	749513857	WMOYKHZYUVGBMN-GOSISDBHSA-N	401.938	3.542	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ccc4ccn(C)c4c3)CC2)cc1	743203669	QEIHBVDVWDHHOQ-UHFFFAOYSA-N	421.545	3.521	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)cc1	756470264	NOIHFVQXMSKPGO-KSSFIOAISA-N	406.523	3.900	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ccnc(N2CCCCC2)n1	758845765	UXYCMOFHQVXUMY-UHFFFAOYSA-N	421.467	3.934	10	20	HHCD	
CC[C@H](CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1	759223032	ZXPXNYGPOKWPSU-GOSISDBHSA-N	412.530	3.945	10	20	HHCD	
CC(C)CS(=O)(=O)N1CCC(N[C@@H](C)c2ccc(Cl)c(Cl)c2O)CC1	756865317	QHLAXTGACBAJSC-LBPRGKRZSA-N	409.379	3.800	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccc(N2CCCC2)nc1	758474408	YGTNWLMNTMCKFT-UHFFFAOYSA-N	420.479	3.827	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Br)cc1O	756373984	WMEXULJAFOHACC-QMMMGPOBSA-N	403.198	3.861	10	20	HHCD	
C[C@H](NC1CCN(C(=O)C2CC2)CC1)c1cc(Br)cc(Cl)c1O	756398105	BQRPTTRISAKYLW-JTQLQIEISA-N	401.732	3.860	10	20	HHCD	
Cc1cn(-c2ccccc2Cl)nc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	766336250	MECZTWBWGKVCBD-UHFFFAOYSA-N	424.932	3.943	10	20	HHCD	
COC(=O)[C@@H](C)Cc1ccc(NC(=O)NCc2cccc(Br)c2O)cc1	765346825	VHCQJLCLOQAKBO-LBPRGKRZSA-N	421.291	3.828	10	20	HHCD	
COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cccc3nonc23)cc1	765040687	IWEXORXMAMBSIR-UHFFFAOYSA-N	401.469	3.688	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)CC1(O)CCCC1	762276611	VGCBZXNJDCJHGD-UHFFFAOYSA-N	423.557	3.540	10	20	HHCD	
C[C@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N2CCOCC2)cc1Cl	766605193	SBWXAVVPLVRFKB-FUHWJXTLSA-N	405.970	3.618	10	20	HHCD	
CC(=O)c1ccc(N2CCN(Cc3cc(Br)ccc3O)CC2)c(F)c1	768219430	ZKOYOPWWRZNLBF-UHFFFAOYSA-N	407.283	3.819	10	20	HHCD	
C[C@H](Cc1cccs1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765280423	KOYMDNIZOCVFIE-QGZVFWFLSA-N	411.550	3.725	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnc3scc(C)n3c2=O)c(C)n1-c1ccccc1	776462851	CSDFCNMDMYYLGS-UHFFFAOYSA-N	421.478	3.512	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](c2ccc(Cl)cc2)c2noc(C)n2)c1O	775049662	BMUNGCDZZKJVOU-OAHLLOKOSA-N	404.810	3.533	10	20	HHCD	
O=C(C[C@H](O)c1cccc(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	772720787	UBEGPVPHNWTDOB-APWZRJJASA-N	408.420	3.636	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1cccc2ccccc12	775046690	YKICHWFPZMFBAB-KRWDZBQOSA-N	401.510	3.716	10	20	HHCD	
COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC	775836222	LIUDQQIFUVQPCS-UTKZUKDTSA-N	411.546	3.784	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(Br)cc1	777826984	VRYIBJZEVJJGQV-UHFFFAOYSA-N	412.667	3.624	10	20	HHCD	
CCCCNS(=O)(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775466707	YJHVXQGBJHFORM-MRXNPFEDSA-N	418.563	3.714	10	20	HHCD	
CC(=O)Nc1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1	789784361	NDNUZIRQKOSRBJ-UHFFFAOYSA-N	416.441	3.710	10	20	HHCD	
CCN(CC)C(=O)CCC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	782498179	BRPIKPYLHIFRLR-UHFFFAOYSA-N	414.594	3.857	10	20	HHCD	
C[C@H](NC[C@H](O)COc1cc(F)cc(Br)c1)c1ccc(N(C)C)cc1	784352563	VPXSUCPRWLKTLZ-UGSOOPFHSA-N	411.315	3.745	10	20	HHCD	
Cc1c(CSC(C)C)cccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	785296640	HGFUKBHVJYYRMQ-CQSZACIVSA-N	416.543	3.734	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c(Cl)c1	782105105	QTUQQJTVQOTYHC-UHFFFAOYSA-N	403.910	3.790	10	20	HHCD	
CCCOC(=O)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1	784109489	UHVYTHDSDDTZIM-UHFFFAOYSA-N	423.513	3.998	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)n2)cc1C	799636125	HFAVDTYJSPSIJE-UHFFFAOYSA-N	415.540	3.930	10	20	HHCD	
COC[C@H](NC(=O)c1cc(C)n(-c2ccccc2Br)c1C)[C@@H]1CCCO1	790274886	ONTJDSRNRGJQAZ-HKUYNNGSSA-N	421.335	3.780	10	20	HHCD	
COc1ccc(NCc2cc(Cl)ccc2O)cc1S(=O)(=O)N1CCCCC1	796395666	QZWWKZVDWTVKCL-UHFFFAOYSA-N	410.923	3.841	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	1318189595	OLCJDCXSBUVYER-SXGWCWSVSA-N	418.927	3.606	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1	1320404650	BUWARFIYLKRJIQ-HNNXBMFYSA-N	401.438	3.585	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(OCCN(C)C)CC2)c1	1251810560	ISBSGOPNYSGYFQ-UHFFFAOYSA-N	403.954	3.930	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1)c1ccc(N(C)C)cc1	1338301737	JCOVZJQSELAHME-OAHLLOKOSA-N	404.470	3.597	10	20	HHCD	
C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1=O	10963438	MHSPUGXJLCYOIR-IBGZPJMESA-N	421.541	3.840	10	20	HHCD	
Cc1c(CNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n(C)c2ccccc12	471234259	ICBBHONPQZBVCG-IBGZPJMESA-N	421.516	3.723	10	20	HHCD	
Cc1c(CNC(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)n(C)c2ccccc12	471469313	CHJIJZKVQQCCBY-UHFFFAOYSA-N	404.470	3.852	10	20	HHCD	
Cc1c(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n(C)c2ccccc12	472190589	NJQWZBIVKZDPNL-OAQYLSRUSA-N	420.557	3.577	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)ccc21	538485251	MURDLCDJGYJTJQ-QFIPXVFZSA-N	406.526	3.988	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(OC[C@@H]4CCOC4)CC3)ccc21	543328987	RGBILJBFUWNRHG-LJQANCHMSA-N	414.546	3.562	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)CC2)cc1	726562347	IBLORRBRIQMAAQ-HSZRJFAPSA-N	410.514	3.652	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C(=S)Nc1ccc2c(c1)OCCCO2	727271209	SWADBWBIGFXZQR-SFHVURJKSA-N	414.527	3.932	10	20	HHCD	
COc1cccc([C@@H](C)N2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)c1	729050786	KRIGVNIAKPCBJL-LJQANCHMSA-N	422.573	3.666	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc4scnc4c3)cc2F)CC1	730381605	KUHMFYHDBISVOU-UHFFFAOYSA-N	413.522	3.899	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CCCc4sccc4C3)cc2F)CC1	730671311	DHLVQZWKNUHPDZ-UHFFFAOYSA-N	416.566	3.687	10	20	HHCD	
Fc1cc(CNCc2cccc(F)c2F)ccc1N1CCN(c2ncccn2)CC1	730817550	UISCBUWLGIRXFF-UHFFFAOYSA-N	413.447	3.510	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)CC1	731016851	QWCLKRDCLPFCOH-UHFFFAOYSA-N	419.485	3.947	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc1F	731347357	VIDJXMSKXFDUPH-IBGZPJMESA-N	401.482	3.576	10	20	HHCD	
O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2cc(O)cs2)CC1	732280913	JKJZUDGQSGXCJJ-UHFFFAOYSA-N	409.305	3.707	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(-n2cccn2)c1	735005402	OTVQKOYRUBJSML-UHFFFAOYSA-N	401.514	3.657	10	20	HHCD	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc(N2CCCCCC2)c1	741136346	SAWMBRXRPIUZPF-UHFFFAOYSA-N	417.531	3.835	10	20	HHCD	
COCCCN(C)CCNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	741727596	SIIBHSFYBNDVJP-UHFFFAOYSA-N	422.367	3.555	10	20	HHCD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	741922316	ALKGZGQWSZIATM-CQSZACIVSA-N	410.484	3.873	10	20	HHCD	
CC(C)(C)c1ncc(/C=C/C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1	742690899	SZGVPTDTJAKORL-CMDGGOBGSA-N	413.587	3.979	10	20	HHCD	
Cn1nc(C(C)(C)C)cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799086	UURMSGSHTJRTPX-AWEZNQCLSA-N	406.477	3.718	10	20	HHCD	
CC[S@](=O)c1ccccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800223	HCINRZUMSFJTOJ-WNNBVUDTSA-N	422.497	3.814	10	20	HHCD	
CN(C)C1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCCC1	743525807	KQCQJBSJYPFFRM-QGZVFWFLSA-N	424.536	3.821	10	20	HHCD	
O=C(NCCSC(F)(F)F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743552044	PTZXGYWPYRHYNQ-NSHDSACASA-N	413.412	3.809	10	20	HHCD	
C[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1ccccc1Cl	743675664	QELGCGKHSRCVNH-QGZVFWFLSA-N	417.937	3.786	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CNC(=O)c1cc(C)cc(C)c1	743809472	UDFNIXUIXFRHOH-UHFFFAOYSA-N	419.319	3.550	10	20	HHCD	
COCCn1cc(S(=O)(=O)Nc2nc(-c3cccc4ccccc34)cs2)cn1	747751371	KVWWUQHKOKJPMA-UHFFFAOYSA-N	414.512	3.607	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)ccc1F	747856621	VQUGIHIAZKVING-UHFFFAOYSA-N	410.448	3.746	10	20	HHCD	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3O)ccc2C)c1	748350597	WXWBMWVTWJBPCU-UHFFFAOYSA-N	410.495	3.740	10	20	HHCD	
CC[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Oc1ccccc1C	752006242	YSSJIUGAUFCXAU-LJQANCHMSA-N	415.509	3.628	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC([C@H]2CCOC2)CC1	753200341	VGVHRYLLFPSUTR-ROUUACIJSA-N	423.504	3.715	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)CCc3ccc(OC)c(O)c3)cc2F)CC1	756096439	KRWRRYXSRFXXHS-SFHVURJKSA-N	415.553	3.793	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cc(Br)c3c(c2)OCO3)c1	756454230	BJLPURWJNXOWAE-SNVBAGLBSA-N	408.248	3.521	10	20	HHCD	
C[C@@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1cc(Br)ccc1O	756535552	NKXZZANPDSCOIS-UZLBHIALSA-N	418.379	3.794	10	20	HHCD	
C[C@@H](NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(Br)c(F)cc1O	756570851	BSYAINCVWYEOKQ-OCCSQVGLSA-N	401.320	3.588	10	20	HHCD	
CN(Cc1nc(Cc2cccc(Br)c2)no1)c1ccc2c(c1)OCO2	756654004	AKDFAZCCPXODNP-UHFFFAOYSA-N	402.248	3.788	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	756721002	GQZFBWLZDNGXAI-HUUCEWRRSA-N	409.490	3.884	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccc(Cl)c(Cl)c2O)s1	756758137	FPZRVJAQBNMAME-JTQLQIEISA-N	409.360	3.698	10	20	HHCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCCSc1nccs1	759586193	ZUDPCPLAACQBOU-SJLPKXTDSA-N	404.605	3.835	10	20	HHCD	
CCOC(=O)c1nc(-c2ccccc2)oc1COC(=O)/C=C/c1ccc(O)c(O)c1	759590970	YLJPDCCCJOVZJA-PKNBQFBNSA-N	409.394	3.686	10	20	HHCD	
Cc1c(I)cccc1C(=O)NCCCSc1nccs1	760583995	CXOGKCGIWNETOV-UHFFFAOYSA-N	418.325	3.968	10	20	HHCD	
COc1cc(Cl)cc(CNCc2ccccc2S(=O)(=O)N2CCCCC2)c1O	761197673	BDEJWLAQTHHGCN-UHFFFAOYSA-N	424.950	3.519	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)C[C@H](C)C2)c(C)n1-c1ccc(Br)cc1	762549301	UIUMDXOKZDZPCP-SHZVTRLKSA-N	423.376	3.697	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(Cl)cc1OC(F)F	762671333	BJSJRZCTXPNPOG-UHFFFAOYSA-N	421.878	3.635	10	20	HHCD	
Cc1cc(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccc(F)cc1	762703509	FYGPFDFPXJLLPV-UHFFFAOYSA-N	401.482	3.830	10	20	HHCD	
CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(OC)cc2)CC1	763301455	BWXXIBUHCKUARZ-UHFFFAOYSA-N	401.488	3.678	10	20	HHCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1Cc1ccccc1	765288186	VWCSDOFVCAHESL-UGKGYDQZSA-N	411.565	3.930	10	20	HHCD	
CN(C)c1nnc(-c2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cc2)o1	767877927	NVJSNZIBBGIMHI-UHFFFAOYSA-N	406.490	3.725	10	20	HHCD	
O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2cc(Br)ccc2O)CC1	769233956	VROHMQDKGBHMEN-UHFFFAOYSA-N	414.303	3.594	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(F)cc2C(F)(F)F)SC1=S	771849387	GOVARBICTWMENP-KPKJPENVSA-N	407.410	3.999	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C)c1ccc(N(C)C)cc1	773844384	AETDVHGPDSMFGA-CQSZACIVSA-N	401.482	3.885	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(C(F)(F)F)n1	775732566	NZYAGHAQOFPLEF-UHFFFAOYSA-N	412.387	3.522	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)cc1	776119052	ZXRKTJMGWJMEFS-UHFFFAOYSA-N	413.537	3.951	10	20	HHCD	
Cc1cc(C)cc(-n2nc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2C)c1	776832579	ILFORRQOFQIPSF-UHFFFAOYSA-N	422.504	3.703	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	777829419	WRZLVTGBJUPGGG-HUUCEWRRSA-N	409.816	3.629	10	20	HHCD	
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1	777940458	MFCUOPQCMJEZHT-UHFFFAOYSA-N	404.410	3.961	10	20	HHCD	
Cc1ccc(C(=O)N[C@H](CC(=O)NCc2ccc(O)c(O)c2)c2ccccc2)cc1	778920133	WZWPLYDLKMHWMG-HXUWFJFHSA-N	404.466	3.584	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H]([C@H](C)O)C2)c(C)n1-c1ccc(Br)cc1	780358941	OWNKIDRCJXBMJC-HOTGVXAUSA-N	405.336	3.742	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)c(O)c1O	780947700	NBBCBAKHIQHHOX-UHFFFAOYSA-N	413.451	3.854	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	781605126	XVIIZWZZTUBIEQ-UHFFFAOYSA-N	400.435	3.598	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1nnc(-c2ccccc2)n1C	781982324	KKTSWPNWJQLVLS-UHFFFAOYSA-N	405.527	3.924	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2	782727138	CQZJIJIGZSFPKK-ICSRJNTNSA-N	416.566	3.744	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c(N(C)C)n1	783483437	WWQKIOSEJXKTBT-QGZVFWFLSA-N	417.513	3.771	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(C)nn3-c3cc(C)ccn3)CC2)cc1	786093521	XOVBKHOTWRLRTQ-UHFFFAOYSA-N	420.517	3.683	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc2c(c1)CCC(=O)N2	791248407	OVNIYQLDBZZBBG-UHFFFAOYSA-N	423.513	3.574	10	20	HHCD	
CN(CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccc(N2CCCCC2)cc1	792198192	HGYLLKVLBHCSCX-UHFFFAOYSA-N	415.603	3.571	10	20	HHCD	
Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)O2	793119339	XFFXMWGYYDGUNV-SEPYTNNBSA-N	412.505	3.758	10	20	HHCD	
Cc1cc2c(cc1S(=O)(=O)Nc1nc(-c3ccc4c(c3)CCO4)cs1)OCO2	795604042	ATOJSAFTDVRBQJ-UHFFFAOYSA-N	416.480	3.583	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OCC)C1	802300710	USSGFDPGNRNTMS-ZWKOTPCHSA-N	405.539	3.961	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H](O)Cc1cccc(C(F)(F)F)c1	807840129	QSYPGCHUXRISDA-CQSZACIVSA-N	408.203	3.938	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccc(C3CCC3)cc2)C2CC2)cc1	809814202	CSUSLZQGTXEPJF-UHFFFAOYSA-N	405.542	3.828	10	20	HHCD	
Oc1cc2c(cc1CNCc1cccc(-c3nc(CC(F)(F)F)no3)c1)OCO2	810158553	PQFNJKCJXPTUPU-UHFFFAOYSA-N	407.348	3.566	10	20	HHCD	
C[C@H](NCc1cc2ccccc2n(C)c1=O)c1ccc(N2CCOCC2)cc1Cl	813880444	FNBSVLVCGYNGTC-INIZCTEOSA-N	411.933	3.879	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC[C@H]21	814176272	OCPIHCUAUWLWPD-SWLSCSKDSA-N	411.886	3.785	10	20	HHCD	
C[C@H](NC(=O)c1cccc(F)c1Br)c1ccc(N2CCOCC2)cc1	814627322	HUMVTBJJQGLPGQ-ZDUSSCGKSA-N	407.283	3.916	10	20	HHCD	
CC(C)NC(=O)CN1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	915304649	ZPPQHNXEXFJDBV-UHFFFAOYSA-N	408.506	3.776	10	20	HHCD	
Cc1c(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cccc1-n1cnnn1	915316848	GZBKZWREWARJPZ-UHFFFAOYSA-N	405.506	3.625	10	20	HHCD	
CCCCn1nc(C)c(/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)c1Cl	916156805	ILHHSHFJUNVNIF-RAXLEYEMSA-N	412.877	3.997	10	20	HHCD	
Cc1ccc([C@@H](CNC(=O)c2sccc2-n2c(C)ccc2C)N2CCOCC2)o1	917391665	FDPVVLWFEOYOOT-LJQANCHMSA-N	413.543	3.860	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(OC(F)F)cc3)cc2F)C[C@H](C)O1	917709277	FIALQNDFNABZTI-KBPBESRZSA-N	408.420	3.971	10	20	HHCD	
CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	917837211	VLQBQKQZJBXNHL-RXVVDRJESA-N	423.557	3.595	10	20	HHCD	
O=C1CCCc2cc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)ccc2N1	919895172	DHRLKVIRPXPYQQ-UHFFFAOYSA-N	418.541	3.746	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)c(C)n1-c1ccccn1	920962119	OYWYEJVJOHFDEL-INIZCTEOSA-N	404.470	3.937	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c1	1251420659	NKTYPLFOJBTQNQ-UHFFFAOYSA-N	417.918	3.788	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)n1	1343588679	YSDKXBBUGISQKO-UHFFFAOYSA-N	403.407	3.966	10	20	HHCD	
CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1sc2nc(C)cc(C)c2c1N	28996951	HNDQUHVERXNMCA-UHFFFAOYSA-N	415.490	3.840	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(OC4CCCC4)c3)ccc21	60750289	ZRBLTZHGFLPLNG-UHFFFAOYSA-N	407.514	3.645	10	20	HHCD	
CCc1nc(CN(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1	109100433	FAROESGPTQEOCK-UHFFFAOYSA-N	419.506	3.551	10	20	HHCD	
CC(C)(C)OC(=O)NC1CCC(NCc2ccc(N3CCOCC3)c(F)c2)CC1	236783438	XWVRFMOFNATZNH-UHFFFAOYSA-N	407.530	3.588	10	20	HHCD	
Cc1c(CNC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)n(C)c2ccccc12	473270728	QWSLPUSYFVWKQH-UHFFFAOYSA-N	403.404	3.552	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3nc(-c4cccs4)no3)ccc21	483503224	UHTMAVYESSLBMP-UHFFFAOYSA-N	410.499	3.946	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCc2ccc(F)cc2C(F)(F)F)n(C)c2ccccc12	555933835	GSMASTNQVQHYLD-UHFFFAOYSA-N	421.394	3.577	10	20	HHCD	
COc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc(Br)c1OC	670800086	HVZNYWRWEZNACS-UHFFFAOYSA-N	421.291	3.572	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)c(O)c1O	727003588	BCZRTDSGUOQSFY-UHFFFAOYSA-N	414.639	3.618	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCc1cscn1	728322566	CWPCGVZIVFRCIV-QPEQYQDCSA-N	410.567	3.929	10	20	HHCD	
COc1ccc(-n2ccnc2SCC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1	728977884	GSBPHYKFNQFRLC-CQSZACIVSA-N	413.499	3.565	10	20	HHCD	
COc1cccc(CNC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)c1O	729859437	QJPCCKAUSIJQCG-UHFFFAOYSA-N	403.276	3.812	10	20	HHCD	
O=C(NCCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccs1	733332122	NMULDCVYKYJVRU-UHFFFAOYSA-N	402.520	3.556	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)ccc21	737165193	AGVPCWDPBFHJRO-UHFFFAOYSA-N	420.513	3.763	10	20	HHCD	
O=S(=O)(Cc1ccccc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742334843	URXPXYZWSDLBJX-HNNXBMFYSA-N	414.449	3.516	10	20	HHCD	
Cc1ccc(CNC(=O)NCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	742417394	WUUSVOSEHDQORA-UHFFFAOYSA-N	422.573	3.880	10	20	HHCD	
C[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)c1cccc(F)c1	746132960	OBPGFICWOKVGRI-MRXNPFEDSA-N	400.519	3.904	10	20	HHCD	
CCS[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	748683695	FBGIHFBLDIMANJ-SJORKVTESA-N	424.478	3.774	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O	748793362	FHOXNTGJQDJRQL-RVDMUPIBSA-N	424.500	3.840	10	20	HHCD	
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccccc4)c3C)C2=O)o1	750828103	PECJSWKCUQQSOG-QHCPKHFHSA-N	405.454	3.645	10	20	HHCD	
Cc1cnc(C(C)(C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	751082306	IASRUSUOFNCVPO-KBPBESRZSA-N	420.554	3.939	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1	753369166	AVZDKQBWZZVPLY-IVZQSRNASA-N	421.538	3.798	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cnccc3-c3cccc(F)c3)ccc21	753554418	PWESHJRFKGAYCI-UHFFFAOYSA-N	418.472	3.525	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(CC(F)(F)F)c3C)CC2)cc1F	753738388	IWHJZPCNIIBTNT-UHFFFAOYSA-N	413.415	3.777	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3C)CC2)cc1F	753858530	VWGIQBXCMHHLFQ-OAHLLOKOSA-N	405.901	3.945	10	20	HHCD	
COc1ccc(OC)c(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	754538513	DYEIELOCXUNJJG-UHFFFAOYSA-N	401.418	3.660	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1	756680639	JMAVXNXDXIRNHJ-DHIUTWEWSA-N	411.546	3.567	10	20	HHCD	
Cc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)n1[C@@H]1CCC[C@@H](C)C1	758161875	DCLJVRZDPMORPF-DNVCBOLYSA-N	401.580	3.812	10	20	HHCD	
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCCCSc1nccs1	758591508	BUTCKNWEIHWZIF-UHFFFAOYSA-N	404.561	3.991	10	20	HHCD	
Cc1ccccc1CN1CCCN(C(=O)NCCCSc2nccs2)CC1	759589487	JDUFBMRRAVWIQB-UHFFFAOYSA-N	404.605	3.851	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cncnc2)c(C)n1-c1ccc(Br)cc1	760797787	AFAFEWWFRIGOQG-UHFFFAOYSA-N	414.259	3.686	10	20	HHCD	
COCCN(Cc1nc(O)c2c(C)c(C)sc2n1)c1ccc(OC)c(OC)c1	760862686	NMWICDPMBDMUPY-UHFFFAOYSA-N	403.504	3.684	10	20	HHCD	
O=C([C@@H]1CC(c2cc(F)ccc2F)=NO1)N(Cc1ccco1)Cc1ccccc1O	761745638	CVTZDRIRSZAIPC-NRFANRHFSA-N	412.392	3.985	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)CC[C@@H]2C)c(C)n1-c1cccc(C(C)C)c1	762510990	XESBYQYZMAFSTC-INIZCTEOSA-N	402.560	3.867	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1F	762625444	YHVRLIXPKUXQMO-UHFFFAOYSA-N	419.428	3.508	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCN(c2ccc(Cl)cc2)C1	764808514	YDDQTODCUVSPGI-AWEZNQCLSA-N	424.726	3.886	10	20	HHCD	
C[C@@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N2CCCCC2)cc1	764844257	KAVSYKWSGLJWET-LJQANCHMSA-N	412.578	3.972	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H](c3cccc(C)c3)N3CCOCC3)CC2)cc1	764915223	VNJAENHRKJEFQU-VWLOTQADSA-N	409.574	3.636	10	20	HHCD	
C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc(N2CCOCC2)cc1	765281545	ISRAFLSXRBBPLY-GOSISDBHSA-N	415.965	3.703	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1F	765482491	YCZMTUWWUDIKEG-UHFFFAOYSA-N	405.901	3.738	10	20	HHCD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Br)c1O	765751245	CBHTVSYTRKJNNA-JTQLQIEISA-N	411.277	3.860	10	20	HHCD	
COc1cc(OC)c(CCN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(OC)c1	765869738	HTJSHKZLQWZUQL-INIZCTEOSA-N	418.509	3.581	10	20	HHCD	
Cn1cc(/C=C2/SC(N3CCCCC3)=NC2=O)c(-c2ccc3c(c2)OCCCO3)n1	767873774	WWLCFNQVSBMGLH-CPNJWEJPSA-N	424.526	3.705	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)cc2)CC1	768527314	WRCLXVWFLXUCND-DENIHFKCSA-N	403.592	3.777	10	20	HHCD	
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	768876781	IMUABOUIHWXBIM-UHFFFAOYSA-N	416.286	3.627	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	769395461	HTXUILOJDYMHLC-ZWKOTPCHSA-N	409.958	3.609	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(Cc2ccc(F)cc2)CC1	770756573	OZRSXMRZJLYXJN-UHFFFAOYSA-N	415.484	3.624	10	20	HHCD	
CCCOc1cccc(CCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	771212917	MZVJNTHKPSJRQH-IBGZPJMESA-N	411.546	3.915	10	20	HHCD	
COc1cc(SC)ccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	772655841	MWFRLXVWNYDWHO-UHFFFAOYSA-N	419.522	3.839	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(F)c1I)c1ccc(N(C)C)cc1	772996392	DPBXNUJSQKKAIJ-LLVKDONJSA-N	412.246	3.987	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N2CCOCC2)c(F)c1	773010446	KYBGXJDWLRLNIN-QRWLVFNGSA-N	417.912	3.772	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H](O)COc2ccccc2Br)cc1	773049154	ATDDWPSRDAVDSY-CRAIPNDOSA-N	407.352	3.996	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCCN1CCCC[C@H]1C	773741750	XFWOCEPIEFXTFB-ZWKOTPCHSA-N	412.530	3.712	10	20	HHCD	
C[C@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccc(N(C)C)cc1	773994926	QDYWHCMPOYPXOI-ZDUSSCGKSA-N	414.556	3.943	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNCC1CCN(C2CC2)CC1	775199859	GTTCACZTCYRWAO-UHFFFAOYSA-N	418.173	3.881	10	20	HHCD	
C[C@@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(N(C)C)cc1	775833578	DXMQSXGARHSQIS-GCJKJVERSA-N	423.557	3.928	10	20	HHCD	
Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(O)c3O)ccc2C)c1	776597647	PPFBMTVBZLNHGJ-UHFFFAOYSA-N	412.467	3.768	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1Br	777134952	XDZKJBSWZSWFRZ-UHFFFAOYSA-N	422.298	3.526	10	20	HHCD	
Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1	777934414	ZSVLWWIEJLKBAL-UHFFFAOYSA-N	421.526	3.655	10	20	HHCD	
C[C@H]1[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C	778201999	BHJCFCHBJDSPHR-LPHOPBHVSA-N	407.530	3.540	10	20	HHCD	
COCC(=O)N1CCc2cc(N[C@@H](C)c3ccc(Br)cc3O)ccc21	779063658	HPICGWRQAMEXPJ-LBPRGKRZSA-N	405.292	3.863	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N(CCN1CCCC1)Cc1ccc(Cl)cc1	779514385	LLZIAQSCZJJTCI-POHAHGRESA-N	400.906	3.889	10	20	HHCD	
CCOc1cccc2cc([C@H](C)NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)oc12	785536596	CFHPGHLMZZCWJD-CVEARBPZSA-N	423.513	3.952	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1	789534464	NIOULIBWYUWFEA-JENIJYKNSA-N	422.554	3.678	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1cccc(NC(=O)Cc2ccccc2F)c1	790538332	HUSWKOCBJSEASH-CQSZACIVSA-N	408.429	3.909	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N(C)C)cc2C(F)(F)F)cc1	792933013	WSXMSLSPNPURJJ-CYBMUJFWSA-N	415.481	3.530	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@@]2(CCOC2)O1	799994103	JNYHEYXWHLBKSG-HYFFOGBASA-N	421.969	3.666	10	20	HHCD	
CCN(Cc1ccc(C)cc1)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805025663	SULMDJMTDLTZOM-UHFFFAOYSA-N	407.558	3.896	10	20	HHCD	
CC(=O)C(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	808024652	XASSAOPEXVHMEN-UHFFFAOYSA-N	411.197	3.691	10	20	HHCD	
O=C(Nc1cc(C2CC2)ccn1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	812358818	ITGSPAGAEKFMCY-UHFFFAOYSA-N	415.496	3.779	10	20	HHCD	
C[C@@H](NCc1cc2ccccc2n(C)c1=O)c1cc(Br)cc(F)c1O	813881818	VDNWQKVHZKQTSW-LLVKDONJSA-N	405.267	3.997	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](N[C@@H](c3nc[nH]n3)c3cccs3)C2)cc1	815584854	QRAKJFXAAYIDJZ-SUMWQHHRSA-N	405.474	3.816	10	20	HHCD	
CN(C)C(=O)COc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	916687620	MHYPQSDIXJHWDN-UHFFFAOYSA-N	423.469	3.687	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)cn3)cc2F)C[C@@H](C)O1	917709436	IPPKWHWPUIIRFJ-BETUJISGSA-N	411.399	3.783	10	20	HHCD	
Cc1ccn(-c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc2)n1	917712291	IMBFPVZXJBPIKZ-HDICACEKSA-N	422.504	3.863	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1F	917998240	DYTMSJXYFPDNLQ-HOTGVXAUSA-N	403.473	3.886	10	20	HHCD	
Cc1cc(C(=O)Cn2nccc2[N+](=O)[O-])c(C)n1-c1ccc(OC(F)(F)F)cc1	918160626	LQIVCCXWMSPNMN-UHFFFAOYSA-N	408.336	3.980	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)c2C)c1	5924915	UJKIZZUDLSZBQU-QGZVFWFLSA-N	419.481	3.685	10	20	HHCD	
CN1CCCc2cc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc21	64561516	YASMGLLNFBSMBM-UHFFFAOYSA-N	408.546	3.599	10	20	HHCD	
Cc1cccc(-n2ncc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2C)c1	145632524	STPNURGMVKZLEN-GOSISDBHSA-N	404.514	3.817	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc([N+](=O)[O-])c1	195692385	PLGDKTUBTLGQSN-UHFFFAOYSA-N	423.391	3.689	10	20	HHCD	
CNS(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c(F)c1	301909986	BDLOBEXXLVYDAU-UHFFFAOYSA-N	403.454	3.648	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(-n2nccc2C(F)(F)F)c1	437005338	DAYFKZKTNNBVHR-UHFFFAOYSA-N	416.403	3.996	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCSC4(CCOCC4)C3)ccc21	474645169	FAHKLEKBNDXBGJ-UHFFFAOYSA-N	402.560	3.643	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3cccc(OC)c3)N(C)C)ccc21	484933395	JKILVRMLJYGYTL-XMMPIXPASA-N	423.557	3.946	10	20	HHCD	
COc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1Br	543880993	ZKHHACLBIOXXIW-UHFFFAOYSA-N	406.280	3.955	10	20	HHCD	
Cc1cc(C(=O)NC(C)(C)c2noc(CN(C)C)n2)c(C)n1-c1cccc(Cl)c1	725753331	BKAIISKNUNQBHZ-UHFFFAOYSA-N	415.925	3.857	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C	727168050	ILTAHWVRWRPQFC-UHFFFAOYSA-N	410.518	3.671	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cnn(-c3ccccc3)c2)SC1=S	727177152	WVRSZOUZQMISGW-LICLKQGHSA-N	400.573	3.661	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2Cl)cc1Cl	727354638	DXFVGZFIOBUYSC-CMDGGOBGSA-N	421.327	3.778	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccnc(OCc3ccccc3)c2)c1	728949916	WFVXAQGSKDIVKG-INIZCTEOSA-N	407.470	3.935	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3nn(-c4ccccc4)cc3C)CC2)cc1	730127185	KGMGSKPWMLXPFJ-UHFFFAOYSA-N	405.502	3.980	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cccc4c(C)c(C)[nH]c34)cc2F)CC1	730235383	UWXCKWQZEMEGBK-UHFFFAOYSA-N	408.521	3.996	10	20	HHCD	
COc1cccc2c1OC[C@H](NC(=O)NCc1ccc(N3CCC(C)CC3)cc1)C2	731121186	QFGYSSFCNIOUPZ-HXUWFJFHSA-N	409.530	3.734	10	20	HHCD	
COCC1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1	732779708	ZLBDDMHVTKZVLF-VBKFSLOCSA-N	424.613	3.615	10	20	HHCD	
CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	732980426	KOVMLNOWWXVQNG-QGZVFWFLSA-N	424.541	3.703	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccc3c(c2)OCO3)cc1	735235459	SBWRRINRPCHPRE-IBGZPJMESA-N	413.543	3.859	10	20	HHCD	
CC1CCN(c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)CC1	740609136	FKNPZCKIHCVEAH-UHFFFAOYSA-N	402.516	3.885	10	20	HHCD	
COc1cccc(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1O	742382974	QBGDEERAUWJXTB-OAQYLSRUSA-N	415.486	3.823	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2n[nH]cc2c1	742798994	FTIKHIPPIUBPLV-HNNXBMFYSA-N	400.429	3.872	10	20	HHCD	
Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)C2	742804636	AADYTAHSFBDTJW-DYESRHJHSA-N	416.468	3.994	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1	743410245	JHLKCKMHIFVYCB-MGPUTAFESA-N	414.502	3.919	10	20	HHCD	
Cc1ccccc1[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1	743564387	KMBWYAPZOQTMIB-CVDCTZTESA-N	409.530	3.676	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H](C)Oc3cccc(F)c3)CC2)cc1	743671131	ZHJPMAJLQMTWKT-INIZCTEOSA-N	401.482	3.570	10	20	HHCD	
CCN(CCC(=O)N1CCc2ccccc21)Cc1cc(Br)ccc1O	743871172	UOWDKQANGNIEEM-UHFFFAOYSA-N	403.320	3.956	10	20	HHCD	
O=C(NCc1cccnc1N1CCOCC1)N(Cc1ccccc1O)C1CCCCC1	745472795	OITUBXRZNGXARF-UHFFFAOYSA-N	424.545	3.668	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)COCC(F)(F)F	745784316	SFURDZKFWXEPPS-SNVBAGLBSA-N	413.234	3.654	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCCc2nc(C)ncc21	745830155	NLANCSKQESUQDY-KRWDZBQOSA-N	419.323	3.862	10	20	HHCD	
Cc1ccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2=O)cc1	745879469	SISYSVNEFLRAJW-HSZRJFAPSA-N	420.557	3.931	10	20	HHCD	
CC[C@H]1Oc2cc([C@H](C)NC(=O)NCc3c(O)ccc4c3CCCC4)ccc2NC1=O	745929451	DZEGEEMBDVJFNI-LHSJRXKWSA-N	423.513	3.941	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)ccc1C	745994574	HCTXVUBSZWTIQV-UHFFFAOYSA-N	423.541	3.779	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(C(F)(F)F)cc1	746047759	RPPDAYANLCWLDE-HNNXBMFYSA-N	412.477	3.791	10	20	HHCD	
CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	747993967	SWOGLJAHBULURL-QGZVFWFLSA-N	421.501	3.805	10	20	HHCD	
CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	748309197	JGHLSBYMQWBVIA-OAQYLSRUSA-N	417.500	3.581	10	20	HHCD	
O=C1OCc2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc21	751138051	YAUWFHQUZZSKMH-UHFFFAOYSA-N	401.484	3.586	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2Cl)c1	751316738	AGNRBZBVWHLIQG-SECBINFHSA-N	420.712	3.856	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(C)c(Br)c2)c1	751317471	FJHYYGNVWOFMKG-NSHDSACASA-N	400.294	3.511	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1cccnc1Cl	751930219	BJXGVCSHFCIYQZ-NSHDSACASA-N	416.890	3.549	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(F)cc1F	751930807	KXYCIRKPYZSSPK-NSHDSACASA-N	417.437	3.778	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c(C)n1-c1cccc(Cl)c1	753689539	KFTOJKODQGIXMK-WOJBJXKFSA-N	420.962	3.929	10	20	HHCD	
CCOc1ccc(OCC)c(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	753862731	FVDDAZBSIINFJH-UHFFFAOYSA-N	417.481	3.986	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3nc(C(C)(C)C)cs3)CC2)cc1F	753901283	HAFUSRXUFVBVIX-UHFFFAOYSA-N	406.527	3.620	10	20	HHCD	
C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(C)(C)CN(C)C	754356944	OHGVXDLLQNDVDA-OAHLLOKOSA-N	412.525	3.532	10	20	HHCD	
Cc1ccc(CNC(=O)NCCCSc2nccs2)c(O[C@H]2CCOC2)c1	759584542	ABQGAJDBLKRWKS-INIZCTEOSA-N	407.561	3.601	10	20	HHCD	
Cc1ccc(NC(=O)[C@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)c(Br)c1	759594087	FUXXTXIJTZBEIE-JECSTDCCSA-N	420.259	3.752	10	20	HHCD	
C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[C@H]1NC(=O)OC(C)(C)C	759603060	PUHPDKURZCPNLL-UONOGXRCSA-N	414.597	3.570	10	20	HHCD	
CCCn1c(C)nnc1SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	760329845	PQODKTNJJVZJFJ-UHFFFAOYSA-N	420.494	3.503	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2CC2)cc1	765605669	WDSQNJPYFOAEKZ-QGZVFWFLSA-N	411.493	3.792	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(Cl)c(N2CCCC2=O)c1	765751102	NTYCJCYOTLBBRM-UHFFFAOYSA-N	423.694	3.865	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CC(=O)O)C2CC2)c(C)n1-c1ccc(Br)cc1	767069607	OWINLFPXXJFJEP-QGZVFWFLSA-N	405.292	3.840	10	20	HHCD	
CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C	768912125	NACKLQOPYVJRPD-KRWDZBQOSA-N	403.910	3.588	10	20	HHCD	
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1	769209917	ONEFNULIAPVNIJ-ZIAGYGMSSA-N	413.356	3.680	10	20	HHCD	
Cc1cccc(NC(=O)N2CCN(Cc3cc(Br)ccc3O)CC2)c1	769229793	RREBRUVZYKVDEH-UHFFFAOYSA-N	404.308	3.813	10	20	HHCD	
C[C@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(N(C)C)cc1	773009594	KZJNWKKOLLYQFV-SFHVURJKSA-N	409.530	3.979	10	20	HHCD	
COc1cc(OC)cc(OCCCN(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773616066	HCFUDEDSLLCWGK-KRWDZBQOSA-N	415.534	3.941	10	20	HHCD	
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1=O	773740555	QKAPLWPEGMWQGP-XYJFISCASA-N	410.514	3.712	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1-c1ccc2ncccc2c1	773991008	WPSKSPVCEJNNRR-OAHLLOKOSA-N	400.486	3.681	10	20	HHCD	
C[C@H](NCCCCN1CCN(c2ncccn2)CC1)c1cc(Cl)c(Cl)cc1O	774170123	QGRHCHGVFJDDCO-HNNXBMFYSA-N	424.376	3.742	10	20	HHCD	
Oc1cc2c(cc1CN1CCO[C@H](c3ccc(F)c(Br)c3)C1)OCO2	774600474	BZAFHODSCABBND-SFHVURJKSA-N	410.239	3.596	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1F	775054970	DJEWZYIQFGKJHI-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
Cc1nccn1C[C@H](C)CNCc1cc(Br)cc(Br)c1O	775906106	LSEKHFHKHLVRQU-SNVBAGLBSA-N	417.145	3.848	10	20	HHCD	
COc1cc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1N1CCCC1=O	777545194	QJXUYOOMEUZRIS-MRXNPFEDSA-N	413.493	3.971	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1	779516302	DSUXGWVMWCWOPR-ZRDIBKRKSA-N	415.511	3.997	10	20	HHCD	
Cc1cc(N2CCC(NC(=O)NCc3ccc(N(C)C4CCCCC4)cc3)CC2)n[nH]1	784077340	KOKCLIDGMCHASZ-UHFFFAOYSA-N	424.593	3.955	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC[C@@H]1CCCCS1	784211731	BHAMWZRDVPJOHT-INIZCTEOSA-N	417.497	3.627	10	20	HHCD	
CCOc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	785754745	OCRJANLMUFSZEE-QGZVFWFLSA-N	422.481	3.790	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3nnc(-c4cccc(F)c4)cc3C)cc2)CC1	786067720	KLAGBRPYVJFYTJ-UHFFFAOYSA-N	419.504	3.872	10	20	HHCD	
Cn1cnc2cc(NCc3ccc(Br)cc3N3CCOCC3)ccc21	788963945	BCASRAOONVIAFJ-UHFFFAOYSA-N	401.308	3.785	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cn1	790106421	HWOXSOLUKIEFTE-LFIBNONCSA-N	403.504	3.709	10	20	HHCD	
Cc1nnc(N(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1	794024812	CVALMJWILPLXCC-FMIVXFBMSA-N	424.598	3.552	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl	794803708	SGEHEJMXAPOJHN-GFCCVEGCSA-N	416.374	3.866	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2c(O)ccc(Cl)c2F)c1	796387669	FEKRJXMIVSHPGV-UHFFFAOYSA-N	416.902	3.836	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@](C)(CNCc2ccc(N3CCOCC3)cc2)C1	798275604	PZLKQKUGVBNWFC-HSZRJFAPSA-N	403.567	3.650	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c(C)n1-c1ccccn1	801157474	ZCPMLQKCHCFBOS-LJQANCHMSA-N	403.486	3.525	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)C[C@H]2CCCOC2)c(C)n1-c1ccc(C(C)C)cc1	803013613	WGEINAYOAILCIK-SFHVURJKSA-N	418.559	3.704	10	20	HHCD	
CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	804968946	LDFFNAKBNPFKDI-UHFFFAOYSA-N	414.531	3.532	10	20	HHCD	
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O	805455972	INCDCYCGQLGWES-FPLPWBNLSA-N	422.312	3.718	10	20	HHCD	
Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807672344	BSTAOUAATFYZDI-CQSZACIVSA-N	407.436	3.573	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCCc1ccc(-c2ccccc2)cc1)c1ccc(N(C)C)cc1	807674063	FONOHSXGZSSKCT-LJQANCHMSA-N	415.537	3.956	10	20	HHCD	
CC[C@@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C(F)(F)F)cc1O	810217322	AKDVAXBVNIHCJN-WMLDXEAASA-N	407.436	3.830	10	20	HHCD	
CC[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1O	810240862	HNZCUNBGOHJYLA-UKRRQHHQSA-N	400.363	3.715	10	20	HHCD	
Fc1ccc([C@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2nc[nH]n2)cc1	815584878	RNQPUUABBJWKGE-LPHOPBHVSA-N	417.435	3.893	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N=c2cc(C)n3[nH]c(C(F)(F)F)nc3n2)cc1	824059579	XKEYOXAPJZSUNI-UHFFFAOYSA-N	414.391	3.533	10	20	HHCD	
COc1ccc(OC)c(NC(=N)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	849069297	BCMWPVPVGIHTFV-HUUCEWRRSA-N	416.497	3.593	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)n2)cc1	906373125	QVBVQLOQUCWFIB-UHFFFAOYSA-N	415.496	3.618	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2nnc(O)c3ccccc23)cc1	914454718	NTFSFMFXWYINJQ-UHFFFAOYSA-N	402.454	3.837	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c(C)n1-c1ccccn1	914849443	IUANAWGEGXMYIE-UHFFFAOYSA-N	402.498	3.655	10	20	HHCD	
COCCOc1ccc(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cn1	916220946	IOBAWFWMTPCTNW-UHFFFAOYSA-N	422.529	3.556	10	20	HHCD	
CCCC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)C1	919616061	XTWOZFUTTOPEGE-LJQANCHMSA-N	410.514	3.859	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(N2CCOCC2)cc1	920880445	JEAOXNCVVJCNPY-JPYJTQIMSA-N	410.514	3.572	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1	1116405089	UAEICINESRFUNB-UHFFFAOYSA-N	414.465	3.682	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3c(C)nn(Cc4ccccc4)c3C)CC2)cc1	1253863512	JZMNISIVUYCRAJ-UHFFFAOYSA-N	418.541	3.909	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(C)n(Cc4ccccn4)c3C)CC2)cc1	1320023141	BLJRNGKTOYVMJB-UHFFFAOYSA-N	418.541	3.909	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2ccc(N3CCCC3)cc2)c1	1340979776	CDHUDFUFYYGQLE-UHFFFAOYSA-N	417.575	3.938	10	20	HHCD	
COC(=O)c1cc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OC	16074311	FIHXYHUYVXKVBY-UHFFFAOYSA-N	410.445	3.958	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3cc(-c4ccccc4)on3)CC2)cc1	726853026	SIMQQFYICAIVMK-UHFFFAOYSA-N	406.486	3.818	10	20	HHCD	
COCCCOc1cccc(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)c1	726986808	YKGVCRDFJWDARQ-SFQUDFHCSA-N	416.524	3.911	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1F	727602715	YYIWESUYRYOCDN-IBGZPJMESA-N	409.864	3.967	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nn(-c2ccccc2F)cc1O	729282315	QUGWZKYEGHHBBQ-UHFFFAOYSA-N	408.477	3.980	10	20	HHCD	
Cc1ccccc1[C@H](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)NC(N)=O	731015222	TYPWYNPWSGJYHS-QFIPXVFZSA-N	408.546	3.647	10	20	HHCD	
Cc1csc(=O)n1CCN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	731036728	NWMWZYKIXIQWIU-UHFFFAOYSA-N	403.548	3.696	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1F	731398484	DPOZJDTWIJLIGJ-UHFFFAOYSA-N	418.488	3.969	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3CCN(c4ccccc4)C3=O)ccc21	731723627	FSAICMGJKVDEER-JOCHJYFZSA-N	406.482	3.867	10	20	HHCD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNCc3ccc(N(C)C)c(F)c3)cc2)C1	733325070	VMKWRIUOTHCJFX-QGZVFWFLSA-N	419.566	3.602	10	20	HHCD	
O=C(NCCCSc1nccs1)c1nc(NCc2ccco2)ncc1Cl	733972501	SFWPTEIQDWCLFW-UHFFFAOYSA-N	409.924	3.704	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc(-n3cccn3)ccn2)cc1	736013874	YKCMQEIVFFVSAB-UHFFFAOYSA-N	403.408	3.538	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCCN(Cc2ccccc2)C1	743566951	LJYMLJNEDCRCOU-HXUWFJFHSA-N	407.558	3.982	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cc2ccccc2nc1O	743808400	RWNIOIORDXSCKH-UHFFFAOYSA-N	415.287	4.000	10	20	HHCD	
C[C@@H]1CCN(CCOc2ccc(NCc3ccc(N4CCOCC4)c(F)c3)cc2)C1	744449754	MXPWMZHIQCHKRO-LJQANCHMSA-N	413.537	3.995	10	20	HHCD	
C/C(=C/C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(C)(C)C	745595835	BISMJELIVRQROC-JWULFMQYSA-N	420.525	3.591	10	20	HHCD	
Cc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1Br	746404603	MFPDYNAETVKXPK-WQLSENKSSA-N	400.319	3.824	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCO[C@@H]4C[C@@H](N(C)C)CC[C@@H]43)c2C)cc1	749547755	ZAQYSMCYVPAJDC-UMXIMWEHSA-N	409.574	3.769	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1	749571709	ZZYCDMWNZQSIOK-UHFFFAOYSA-N	402.498	3.591	10	20	HHCD	
CCCN(CC)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	749573756	ZTTMKAPCXXECPW-NRFANRHFSA-N	422.573	3.555	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1CCC(C)C	750537552	ZESJORYZBIHBEC-IBGZPJMESA-N	418.969	3.991	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1	751274826	JYWJEVOIBDFPCK-IBGZPJMESA-N	406.530	3.579	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2nc3ccccc3[nH]2)cc1	751403687	DRIASSFLZZIWNQ-FQEVSTJZSA-N	406.530	3.769	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1	753365954	WEEAJUNQBFRAAJ-HNNXBMFYSA-N	421.538	3.798	10	20	HHCD	
Cc1cnc([C@@H](C)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	755005515	DIHLTKFABYEVDF-ZIAGYGMSSA-N	419.506	3.905	10	20	HHCD	
COc1cccc(-c2nc(C)c(C(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)[nH]2)c1	755954239	FWGSNBBZHQJJHK-UHFFFAOYSA-N	424.476	3.504	10	20	HHCD	
C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1cc(Br)c(F)cc1O	756586933	WVBDLZWHRZNQGC-QMMMGPOBSA-N	423.208	3.865	10	20	HHCD	
C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc(Br)ccc1O	756591291	FETUCZKDUMUHMY-VPWXQRGCSA-N	419.363	3.688	10	20	HHCD	
CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1	757681285	BKOJPHZWODHMPZ-RBUKOAKNSA-N	422.614	3.783	10	20	HHCD	
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1O)C[C@H]1CCCO1	759676016	OJXQIVMJRRXPIC-GOSISDBHSA-N	409.442	3.532	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(Br)s1	761093908	VYVOPXQATDLQGD-UHFFFAOYSA-N	415.696	3.834	10	20	HHCD	
COc1ccc(C[C@@H](C)CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	761666355	HNMMSTYLBWCQJL-LJQANCHMSA-N	411.546	3.552	10	20	HHCD	
CO[C@H](c1ccccc1F)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	762290627	GZTJFOZCTRRGIW-BLVKFPJESA-N	406.841	3.725	10	20	HHCD	
C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1ccc(N2CCOCC2)cc1	762743228	PVZJANZOYYXWDH-HNNXBMFYSA-N	413.568	3.930	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1CCC(F)(F)C1	763591949	UIMDXKCBRBNCDL-CYBMUJFWSA-N	407.383	3.529	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(CCO)c1-c1ccccc1	763984972	FLBNTIATSBQVOY-UHFFFAOYSA-N	418.541	3.805	10	20	HHCD	
CCN(Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	764292827	MUGMJEMOIZHVIS-INIZCTEOSA-N	413.477	3.706	10	20	HHCD	
FC(F)Oc1ccc2c(c1)CCCN2Cn1nc(N2CCOCC2)sc1=S	766351494	OUILRQKHYANOLY-UHFFFAOYSA-N	414.503	3.522	10	20	HHCD	
Oc1ccccc1CN(Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[C@H]1CCCO1	768162114	LLUJCGIIPXOZOZ-LJQANCHMSA-N	407.470	3.692	10	20	HHCD	
O=C(NC[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1)c1ccccc1	769245759	WKGJAKAORBGZHY-HNNXBMFYSA-N	403.320	3.797	10	20	HHCD	
O=C(NCCCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(F)(F)F	769306954	KNIKOJIKYWWKFW-OAHLLOKOSA-N	413.465	3.890	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1	769878065	ZPAANFUNGDVNDN-URXFXBBRSA-N	419.569	3.881	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)c2)CC1	770145838	AHHNROGURVCSEZ-UHFFFAOYSA-N	401.894	3.505	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1	771656267	CTXNKGDPSMCNME-IBGZPJMESA-N	410.606	3.973	10	20	HHCD	
CN1CCN(c2ccc(CNCCCC(=O)Nc3ccc(Cl)cc3)cc2)CC1	771825047	WBVYQNLLKMELJJ-UHFFFAOYSA-N	400.954	3.600	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1)c1ccc(N(C)C)cc1	773989176	OHORAGYKAUIZMW-DOTOQJQBSA-N	409.559	3.851	10	20	HHCD	
CC[C@@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1cc(Cl)ccc1O	775500859	LTZAIPMZQZVBCB-HXUWFJFHSA-N	401.938	3.955	10	20	HHCD	
NS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	775518462	WTWVMXZUTKZBEU-HNNXBMFYSA-N	401.492	3.634	10	20	HHCD	
COc1cc(N(C)C[C@H](O)c2ccc(F)c(Br)c2)cc(OC)c1OC	775604768	UAGFVNGPUULIHO-HNNXBMFYSA-N	414.271	3.784	10	20	HHCD	
Cc1ccc([C@H](CNCc2cc(Br)cc(C)c2O)N2CCOCC2)o1	775827750	WRDQRWLFJZJXFT-KRWDZBQOSA-N	409.324	3.528	10	20	HHCD	
C[C@H](NCC1(CN[C@@H](C)c2ccc(N(C)C)cc2)COC1)c1ccc(N(C)C)cc1	775834014	JAIYDPVREXMBIG-PMACEKPBSA-N	410.606	3.837	10	20	HHCD	
COc1cc(O)c(CNC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1OC	776257635	ZHSWIMUSMHQHNG-SPLOXXLWSA-N	408.901	3.985	10	20	HHCD	
COCC[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccc(C)o1	778753975	CTCYWGMOPUGKDD-FQEVSTJZSA-N	401.507	3.596	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C[C@@H](C)NCc2cc(OC)ccc2O)sc(C)c1C	783523562	WMEBHEILGCTJRE-GFCCVEGCSA-N	420.531	3.763	10	20	HHCD	
Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	784676998	YERQRPSUXUWLKH-OAHLLOKOSA-N	406.477	3.947	10	20	HHCD	
O=C(NCCSCc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	785387596	SHOSPINNZZIFIN-UHFFFAOYSA-N	424.522	3.564	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)c(OC)c(OC)c2)c1	786408890	JOSCZNJAPLJMES-JTQLQIEISA-N	410.264	3.672	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCC2(CCCCC2)O1	790628546	ALPBLQGYQXCIOZ-OAQYLSRUSA-N	401.551	3.547	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl)c1ccc(N2CCOCC2)cc1	790692002	VFZBCLKXWBXYBW-FNHZYXHNSA-N	412.361	3.810	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)c(O)c1	792999145	CCWVIUQRHLHVMP-NSHDSACASA-N	411.271	3.733	10	20	HHCD	
COc1ccc(CNC(=O)CCc2ccc(OCC(F)(F)F)c(OC)c2)c(O)c1	794372615	BIEXVPJQJIOCLM-UHFFFAOYSA-N	413.392	3.600	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1	795993305	NNAUMRVZUQOORM-LJQANCHMSA-N	408.420	3.533	10	20	HHCD	
COc1ncc(/C=C\C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1	800049945	KIQPKSNSQQPKLX-DDJMYBDESA-N	400.910	3.705	10	20	HHCD	
CC[C@@](O)(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1	800460787	VPROFZLEGLOLAE-AOMKIAJQSA-N	402.922	3.652	10	20	HHCD	
Cc1cc(Br)cc(CNc2cccc(N3C(=O)CCNC3=O)c2C)c1O	800535755	HDDOVSMRJVNLJL-UHFFFAOYSA-N	418.291	3.830	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2	800563645	JRFAUMNVTVBKFA-LBPRGKRZSA-N	409.408	3.728	10	20	HHCD	
COCN1C(=O)CCc2cc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc21	801785932	BNFPYCHVNZRWEI-UHFFFAOYSA-N	422.529	3.832	10	20	HHCD	
Cc1cccnc1SCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	804921883	IGWHAOTZMKIYIQ-HOTGVXAUSA-N	403.523	3.551	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H]3CCc4ccccc43)cc2)CC1	805024688	LTYGZEYOWFQZKA-HSZRJFAPSA-N	405.542	3.685	10	20	HHCD	
COc1ccc(N2CCN(Cc3nc4ccccn4c3Br)CC2)cc1F	809593603	PGXJYCVFFPBXLE-UHFFFAOYSA-N	419.298	3.567	10	20	HHCD	
CC[C@H]1[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C(=O)OC(C)(C)C	810112093	IHFGMUPWXMPUQL-UXHICEINSA-N	401.551	3.939	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cn1nc(C(F)(F)F)cc1C	810455839	CMFUUTNMAQPHJV-UHFFFAOYSA-N	420.229	3.727	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1	811823700	XNKIIHDJEQVFJP-UHFFFAOYSA-N	420.487	3.774	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@H]2C)cc1	815593536	PLFGVFNSMQEHAE-IERDGZPVSA-N	423.513	3.531	10	20	HHCD	
CCn1c(Sc2nccs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	914862763	DROGOHSMXYFNMQ-UHFFFAOYSA-N	408.574	3.839	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc([N+](=O)[O-])c1	916631898	MGVKITDNROVPNZ-UHFFFAOYSA-N	424.379	3.772	10	20	HHCD	
O=C1CSc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2N1	916673775	XCHUEYMAVOBYSQ-INIZCTEOSA-N	413.499	3.650	10	20	HHCD	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccccc3O)cc2)cc1	917307597	PMBMDKMDBYNGBG-UHFFFAOYSA-N	424.522	3.798	10	20	HHCD	
Cc1ccc(CCCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1	918191992	URBVOAGOPFIRGP-UHFFFAOYSA-N	413.537	3.836	10	20	HHCD	
COc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	918223626	GSXVPPHPSQWTCF-MRXNPFEDSA-N	401.482	3.574	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)c3ccccc3)CC2)cc1	918228587	LPXRPWNHSFOPFQ-UHFFFAOYSA-N	408.546	3.591	10	20	HHCD	
COc1ccc(C2(CNC(=O)c3cc(C)n(-c4ccccn4)c3C)CCOCC2)cc1	919894749	XWNRHSUBXCYYLT-UHFFFAOYSA-N	419.525	3.976	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cn2cccc2)cc1	1116094451	ILBIDMRKQFXOJL-UHFFFAOYSA-N	403.526	3.675	10	20	HHCD	
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1320757284	WUIYXIZAKGJCIM-IBGZPJMESA-N	405.502	3.795	10	20	HHCD	
COc1ccc(N(C)C(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1OC	1345436620	MWXNESJWPLOXSK-XSFVSMFZSA-N	417.465	3.533	10	20	HHCD	
C/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830739887	FAEYONJVPBXFTH-WAQLMLCQSA-N	420.937	3.951	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3nc4ccc(Cl)cc4[nH]3)CC2)cc1	3555710	DBFJHUUQDVSECV-UHFFFAOYSA-N	416.934	3.666	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1	7187648	JUFJUVIGARPVEX-UHFFFAOYSA-N	418.522	3.507	10	20	HHCD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	145604385	LHYVPJCOMXGOCE-UUOWRZLLSA-N	419.525	3.665	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C/c2cc(Cl)c3c(c2)OCCCO3)SC1=S	212883693	SZJFKITYIJYWFD-LCYFTJDESA-N	413.904	3.567	10	20	HHCD	
CCc1sc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1C	302900329	RGONGTIYNYQTBG-UHFFFAOYSA-N	401.576	3.570	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3cccc(OC)c3)N(C)C)ccc21	484933394	JKILVRMLJYGYTL-DEOSSOPVSA-N	423.557	3.946	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cccc2c1OCCO2	727247228	RURCVCZUQIVJKC-UHFFFAOYSA-N	414.508	3.871	10	20	HHCD	
CSc1n[nH]c(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1	729352554	RCEYQDJTBVAQJQ-UHFFFAOYSA-N	406.309	3.949	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1C	729579166	DTTSKCQDWJFRJZ-UHFFFAOYSA-N	404.536	3.534	10	20	HHCD	
CN(C)c1ccc(CN(Cn2nc(N(C)C)sc2=S)CC(F)(F)F)cc1	731207393	QOXPGGKGRVHXAJ-UHFFFAOYSA-N	405.515	3.828	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1F	731346609	YOYCGMNMSPUHCU-LJQANCHMSA-N	405.539	3.804	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCN(Cc4ccccc4)C[C@H]3C)CC2)cc1	732255314	CLNQBNXNTQZQQX-HXUWFJFHSA-N	422.573	3.580	10	20	HHCD	
CCOC(=O)c1csc(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n1	733878528	KOYKKZVVYHAGEM-UHFFFAOYSA-N	413.499	3.666	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cnn(-c3cccc(Br)c3)c2C)c1	734014895	JZIBPFSCRRVEFX-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
O=C1/C(=C/c2ccc(Br)cn2)SC(=S)N1c1ccc2c(c1)OCO2	735328919	GZMDOQICHJYMDP-RZNTYIFUSA-N	421.297	3.979	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C(C)(C)Cc3ccccc3)CC2)cc1	735424144	FYMPRRCDYRAERO-UHFFFAOYSA-N	409.574	3.592	10	20	HHCD	
Cc1cccc(O[C@H](C)C(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)c1	736584002	NTLCUJJLAIIEMI-LJQANCHMSA-N	404.510	3.966	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(N2CCOCC2)cc1	740459054	KVCUYRUQVCIUQR-HTAPYJJXSA-N	411.502	3.574	10	20	HHCD	
CN(C)[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1c(F)cccc1Cl	740750320	NLVHINWRHYLTNM-HXUWFJFHSA-N	421.969	3.951	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)cc2F)CC1	741564618	XCEFEIQHDFSLFY-ZWKOTPCHSA-N	417.475	3.666	10	20	HHCD	
Cc1ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1	742752264	FQAPIGBIAHSQSQ-INIZCTEOSA-N	404.536	3.513	10	20	HHCD	
COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC	742799267	IUASHIYVORCWIK-OAHLLOKOSA-N	406.429	3.704	10	20	HHCD	
CN(C)[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	742800034	FHBAYEXGTATCJW-FXAWDEMLSA-N	403.473	3.676	10	20	HHCD	
CN(c1ccc(CNC(=O)NC2CCC3(CC2)OCCO3)cc1)C1CCCCC1	743346738	OMVKRGKCLODUIP-UHFFFAOYSA-N	401.551	3.940	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C	743665552	KMPLOYHYSKZOSN-AZUAARDMSA-N	418.582	3.978	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)NCc3ccc4c(c3)CCCN4C)n2)c1	743706113	YLAVMRFNUCXFMD-OAHLLOKOSA-N	421.501	3.688	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2c(O)ccc3c2CCCC3)CC1	743715697	BVPMRGGPVRCFAD-UHFFFAOYSA-N	402.535	3.924	10	20	HHCD	
COc1cc(OC)c(OC)cc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	743767623	QDQNOXDJGPMTAS-UHFFFAOYSA-N	415.490	3.901	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1[nH]c(C)c(C(=O)OC)c1C	743807204	CXOCXOKLGBMHLJ-UHFFFAOYSA-N	409.280	3.549	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1N1CCOCC1	745785212	IWIOYSIOQLWZID-UHFFFAOYSA-N	410.562	3.709	10	20	HHCD	
Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1N1CCOC1=O	746733996	YJECNXWANVESAB-KRWDZBQOSA-N	424.501	3.671	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC(OCCCN(C)C)CC3)cc2)CC1	748970105	NYKWUSJUIMINJG-UHFFFAOYSA-N	416.610	3.565	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1O	750057424	MKIFJRXMYDJEBV-GOSISDBHSA-N	414.811	3.757	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3cccc(Br)c3)CC2)cc1	750732108	LSKGJFLRLFVUQF-UHFFFAOYSA-N	403.320	3.739	10	20	HHCD	
Cc1nc(Cl)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	751630182	JEEZVUMJSRLKTK-UHFFFAOYSA-N	413.827	3.829	10	20	HHCD	
CCSc1ccc(Cl)cc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1	752295674	ZMKZFEULSFUJEX-UHFFFAOYSA-N	424.975	3.939	10	20	HHCD	
CSc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nc1	752822419	LZJZHTGTAZFKLG-KBPBESRZSA-N	404.511	3.878	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1	753555977	AVEKQTJTMWGGMR-UHFFFAOYSA-N	407.436	3.811	10	20	HHCD	
COc1cc(Br)ccc1CCCNCc1cc(OC)c(OC)cc1O	753587153	NJYYTFYBQKKMEH-UHFFFAOYSA-N	410.308	3.903	10	20	HHCD	
CC(=O)C[C@H]1COCCN1C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	753706243	WLPLHAUCCCSXAH-SFHVURJKSA-N	419.319	3.677	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)CO[C@@H](C)c3ccc(Cl)cc3)CC2)cc1F	754180300	TXJPAVNHPVATEF-JXFKEZNVSA-N	422.928	3.748	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1	755411805	URFUVGDLQKRVGU-UHFFFAOYSA-N	408.886	3.591	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccccc1Br)c1cc(Cl)ccc1O	756761203	SBSLOEFHSFFAIH-DGCLKSJQSA-N	400.700	3.899	10	20	HHCD	
COc1cc(N2CCN(C(=O)C3(CC(C)C)CCCC3)CC2)cc(OC)c1OC	759222569	UGPZXGTYABDVJR-UHFFFAOYSA-N	404.551	3.968	10	20	HHCD	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	759589464	SHFPLFXBYBZYTG-HFWIMWPKSA-N	409.482	3.799	10	20	HHCD	
Cc1cc(C(=O)NCCOc2cccc(C(F)(F)F)n2)c(C)n1-c1ccccn1	759782131	YILHYCAXQGXLHC-UHFFFAOYSA-N	404.392	3.712	10	20	HHCD	
COc1cc(N2CCN(Cc3ncc(-c4cccs4)o3)CC2)cc(OC)c1OC	759873609	WRIZSEVFSWYKJS-UHFFFAOYSA-N	415.515	3.751	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	764817411	HFOOGAYWEVXWKY-IBGZPJMESA-N	415.603	3.955	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccnn2C(C)C)c(C)n1-c1ccc2c(c1)OCCO2	767467328	UVGUIXCRPBVAFW-UHFFFAOYSA-N	423.469	3.682	10	20	HHCD	
COc1cc(O)c(CN2CCN(C(=O)c3cccc4ccccc34)CC2)cc1OC	768440535	FHOAEUXBOFLECR-UHFFFAOYSA-N	406.482	3.521	10	20	HHCD	
Cc1ccccc1-n1ncc(C(=O)NCCc2ccc(O)c(O)c2)c1C(F)(F)F	768900369	HLBIBDLNYLJOBL-UHFFFAOYSA-N	405.376	3.583	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1	769293080	USIUHHFDFXMMPF-UHFFFAOYSA-N	404.488	3.981	10	20	HHCD	
Cc1ccnc(Oc2ccc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cc2)n1	772092591	AZDCGGUPFNYWPV-UHFFFAOYSA-N	424.844	3.905	10	20	HHCD	
COc1cc(Br)c(CNCc2cccc(Br)c2O)cc1O	775146869	RHJSRHAKNUUPRD-UHFFFAOYSA-N	417.097	3.921	10	20	HHCD	
COc1ccc(O)c(CNC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1	776002820	VGOAEDJVCHCRLH-IFXJQAMLSA-N	408.901	3.745	10	20	HHCD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(CNCc3cccc(Cl)c3O)cc2)C1	776025309	SCCBAVWEURBPEF-HNNXBMFYSA-N	408.951	3.756	10	20	HHCD	
CC(=O)Nc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1C	782895785	JVYBEEYUSZMEFD-UHFFFAOYSA-N	423.513	3.959	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CCN2CCCCC2)cc1	784030736	UUHOTWCHKPCBCM-UHFFFAOYSA-N	423.557	3.798	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)C2CCCCC2)cc1	784057988	JFMXDNYCZYZMCH-UHFFFAOYSA-N	403.486	3.759	10	20	HHCD	
CCOC(=O)Cc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1	784108198	KSNFXKVXQVCTQX-UHFFFAOYSA-N	423.513	3.536	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC(C)C	787472130	YELGBSLOINRRPI-UHFFFAOYSA-N	409.530	3.978	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCc3nc(N)ncc3C2)cc1	790058084	GOWKBYZGZUAMDZ-UHFFFAOYSA-N	401.474	3.739	10	20	HHCD	
O=C(Nc1c(Cl)cc(NC(=O)c2cccc(O)c2O)cc1Cl)c1cnccn1	790728522	YRJUQLXMSBGVHG-UHFFFAOYSA-N	419.224	3.699	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c(O)c1	792794240	JJEZIOQRYJPEIV-LJQANCHMSA-N	403.910	3.691	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	793106401	PYBVCYGEHUAXAV-SFHVURJKSA-N	419.591	3.502	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c(O)c1	797648604	AAWQYEWTPNRJTC-CYBMUJFWSA-N	406.866	3.791	10	20	HHCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799908264	VJCMOWZVXFKXCH-JYJNAYRXSA-N	408.974	3.679	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1c1ccccc1	799959535	PKDATEPCWRPNTG-ZWKOTPCHSA-N	412.486	3.614	10	20	HHCD	
COc1ccc(CN2CC[C@@H](N[C@H](C)c3cc4c(cc3O)CCCC4)C2=O)c(OC)c1	806170578	WLMYGUFNTKUELS-OPAMFIHVSA-N	424.541	3.740	10	20	HHCD	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	807190975	CMWSQODKUYHPPN-WAIKUNEKSA-N	423.532	3.823	10	20	HHCD	
COc1cc(CN2CCN(Cc3ccc4ccccc4c3O)CC2)cc(OC)c1OC	816516372	CVZOSTPAXKEIEY-UHFFFAOYSA-N	422.525	3.889	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C2CC2)cc1	914482269	YKZLMJDEHOZUMI-UHFFFAOYSA-N	406.935	3.614	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2	915290350	QYDHRYGUYQAMPH-UHFFFAOYSA-N	417.468	3.626	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	915707480	OMBUEEQSQYWQQA-QGZVFWFLSA-N	422.978	3.573	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	917715013	YKZAULUDQCCDAX-BETUJISGSA-N	421.856	3.931	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC[C@H](C)N3CCCC[C@@H]3C)cc2F)C[C@@H](C)O1	918212413	UEXKKJFHHWCGNT-CADBVGFASA-N	420.573	3.501	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1nnc2ccccn12	919655853	VUIBFZHCSILLSK-QGZVFWFLSA-N	418.501	3.861	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3ccc(OC[C@@H]4CCCO4)cc3)SC2=S)CC1	920471818	FPFRKDBLTSRRNW-DYGKOUCMSA-N	418.584	3.540	10	20	HHCD	
CCN(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccc(OC)c(OC)c1	921060975	GWMSKABMVGTHMI-UHFFFAOYSA-N	408.445	3.790	10	20	HHCD	
O=C(Nc1ccc(Cn2cccn2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	921117999	JDLNIRBTEGJZJV-NRFANRHFSA-N	406.486	3.850	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(Cn4nc(C)cc4C)c3)CC2)cc1	1319397084	GVELNEGZGDCHSA-UHFFFAOYSA-N	418.541	3.909	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1ccc(C(C)C)cc1	1320398114	JQWQNIPAXTXIDH-SFHVURJKSA-N	417.527	3.604	10	20	HHCD	
COc1cccc(CNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c1O	1322537619	WXSYQCSUACNJMK-UHFFFAOYSA-N	414.465	3.942	10	20	HHCD	
CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1803202012	IEMWCNKILHEBSE-UADZTWIMSA-N	423.557	3.773	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1	10961865	AHAHGKZNCDUHPG-UHFFFAOYSA-N	422.497	3.945	10	20	HHCD	
Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1	29210841	VUGFATPAUSIQRT-UHFFFAOYSA-N	403.236	3.844	10	20	HHCD	
Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccc3O)c2)c1	109677724	SOMGWJHRYYGQDB-UHFFFAOYSA-N	410.495	3.740	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1	302886309	AMESKXHXFHSYLM-UHFFFAOYSA-N	407.436	3.550	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3cccc(OC(C)C)c3)cc2F)CC1	303281398	ISIDJIVIZKDIKX-UHFFFAOYSA-N	413.537	3.614	10	20	HHCD	
Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)NCc3c(C)c4ccccc4n3C)n2)c1	472243219	WFFVCWYTAHVNJM-OAHLLOKOSA-N	403.490	3.536	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)n(C)c2ccccc12	550290765	VAAGGUGTQDCHDF-UHFFFAOYSA-N	404.297	3.726	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	726275669	YFQSQBXCGFXCJU-MJGOQNOKSA-N	418.582	3.930	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)COCc3nc4ccccc4s3)CC2)cc1	726560730	KBYYXZDHXLESQM-UHFFFAOYSA-N	411.527	3.607	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(NC(=O)NC(C)C)cc3)CC2)cc1	726562209	FXKWZLAPPDMTNK-UHFFFAOYSA-N	410.518	3.624	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)/C=C/c1ccccc1Cl	727446132	QPTOBCKRHDUEQE-XNTDXEJSSA-N	406.935	3.609	10	20	HHCD	
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728197449	CVBRYCLFVIXTJK-IEBWSBKVSA-N	424.541	3.846	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c1	729062437	ARZHWALTNCWDJJ-HNNXBMFYSA-N	421.453	3.712	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3sc(CC(C)C)nc3C)cc2F)CC1	730192910	PYCZEULOYLTVSN-UHFFFAOYSA-N	418.582	3.861	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC[C@@H]3c3cc4ccccc4[nH]3)nc12	731033270	QWXUJSQMRWWBJM-HXUWFJFHSA-N	419.485	3.820	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)cc2)CC1	731121315	RAWKVSQAKWCDNS-UHFFFAOYSA-N	422.508	3.847	10	20	HHCD	
Cc1[nH]c(-c2ccncc2)nc(=NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C	733299764	IXLMAZMUJNFAIU-HOTGVXAUSA-N	421.520	3.942	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccc(Br)cn3)SC2=S)cn1	733813175	NEPVRWLRYMZXRN-SDQBBNPISA-N	408.302	3.654	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1	734018323	NIAZHQLDOKZASV-UHFFFAOYSA-N	403.438	3.558	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1	734687533	GWHKGLSLIXKSMA-QGZVFWFLSA-N	416.516	3.928	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1	734861461	MEIUFFUTLRWTNG-NQYLQCIDSA-N	401.457	3.718	10	20	HHCD	
CCc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3c(O)ccc4ccncc34)CC2)cc1	736581527	HKHDLRPVCXUGCE-SFHVURJKSA-N	419.525	3.615	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c(C)n1-c1ccc(Br)cc1	736588422	UGKNOSXHRQASSH-UMFZYTJCSA-N	423.376	3.838	10	20	HHCD	
CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	739754769	ULTAWEGEOACLGK-UHFFFAOYSA-N	421.950	3.737	10	20	HHCD	
Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742334116	FOHVOUOUWJEYGT-AWEZNQCLSA-N	414.449	3.683	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)c[nH]1	743046480	LCDXHVGKBAFENP-UHFFFAOYSA-N	405.501	3.849	10	20	HHCD	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743057515	TVTSXEGVWXQEFU-AWEZNQCLSA-N	406.389	3.987	10	20	HHCD	
COc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)ccc1N1CCCC1=O	743084776	BJJQYTOMAXOEEK-UHFFFAOYSA-N	409.486	3.728	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cccc(F)c1	743472471	OMZLCVWCVPCLHM-QGZVFWFLSA-N	409.484	3.932	10	20	HHCD	
CC(C)(C)N1CCC(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	743557822	OCYPJQXPSOKWQG-KRWDZBQOSA-N	424.536	3.819	10	20	HHCD	
O=C(NCc1ccnc(N2CCOCC2)c1)N(Cc1ccccc1O)C1CCCCC1	745466952	CFLKLDWCTHOGIS-UHFFFAOYSA-N	424.545	3.668	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCOc1cccc(F)c1	745608300	UHBMPMCIJNNUQQ-UHFFFAOYSA-N	411.271	3.904	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1c(F)cccc1Cl	746222927	OIJRSXVRPLVNSB-UHFFFAOYSA-N	409.864	3.579	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@](C)(O)[C@@H](C)c3ccccc3)cc2F)C[C@@H](C)O1	747361404	OUJTVDDPDYJXIG-ZBLHWPFVSA-N	414.521	3.610	10	20	HHCD	
CCc1cc(N2CCC(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)ncn1	748241880	FJULTUSSXWGKNP-UHFFFAOYSA-N	424.549	3.696	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)C[C@@H](C)O1	749125363	FBVBPLJCVBQAMG-IAGOWNOFSA-N	421.557	3.928	10	20	HHCD	
Cc1cc(C)cc(N2CC[C@H](C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)C2=O)c1	752152002	RRDOBLRWVSFIJU-FGZHOGPDSA-N	422.525	3.570	10	20	HHCD	
CCOC(=O)Cc1nnc(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)s1	752453746	NCDNHGVTYJSNLZ-UHFFFAOYSA-N	412.515	3.920	10	20	HHCD	
COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)c1	753924038	QJLYTVRCULIAEG-UHFFFAOYSA-N	414.411	3.577	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1cc(Br)c(F)cc1O	756455734	KOYUKEXEIYPZCT-GFCCVEGCSA-N	416.312	3.559	10	20	HHCD	
COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1cc(Br)cc(Cl)c1O	756857373	WABFWWXVZVQUSS-NHYWBVRUSA-N	421.763	3.636	10	20	HHCD	
COC(=O)c1sc2nc(/C(Cl)=C/C3=S=C(C4CCC4)N=C3)nc(O)c2c1C	760265680	YMADANAJTRISMJ-WDZFZDKYSA-N	421.931	3.992	10	20	HHCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O	761580396	SVGNFWJQCUSFSX-PXAZEXFGSA-N	402.292	3.869	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(OC)CCN(C(=O)OC(C)(C)C)CC1	764900683	VAMZXYITYBHIDS-UHFFFAOYSA-N	419.566	3.517	10	20	HHCD	
COc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1[N+](=O)[O-]	766636653	IIOXQBQNRMOGQK-UHFFFAOYSA-N	421.400	3.604	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	770840202	NGNJWKFJRLWRSF-UGKGYDQZSA-N	412.917	3.962	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc([C@H]4[C@H](C=C(C)C)C4(C)C)n3)CC2)cc1	771057497	OOHPKOWLCZQLMF-SIKLNZKXSA-N	424.545	3.675	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1	771824255	BHEDTSUPIIABQW-UHFFFAOYSA-N	415.497	3.645	10	20	HHCD	
COC[C@](C)(CC(=O)OC)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772157414	CCIVJKGWRHEZMG-QFIPXVFZSA-N	412.490	3.866	10	20	HHCD	
C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1	772874747	GQEJIAMSMBUZCJ-RXVVDRJESA-N	403.567	3.791	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	773343503	ZENSHSXWAKUMNL-GJZGRUSLSA-N	409.490	3.933	10	20	HHCD	
Cc1sc2ncnc(SCCC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2c1C	773741137	SBOQRENLDWILNC-LLVKDONJSA-N	417.556	3.949	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c1O	774927272	DLWNAHGBSOMKEF-HUUCEWRRSA-N	401.463	3.530	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)Cc2cc(Br)ccc2F)c1O	775033680	PDODHRIGXLYRCS-JTQLQIEISA-N	413.243	3.931	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H](C1CCCC1)C(F)(F)F	775774251	JCBMDWODQCNICZ-SFHVURJKSA-N	417.447	3.707	10	20	HHCD	
C[C@H](CN(C)Cc1ccccc1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	776080402	IMULUZUMSSSEEU-KNQAVFIVSA-N	411.546	3.603	10	20	HHCD	
COCC(=O)N1CCc2cc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc21	778193141	SJZQBTTVXRQEGJ-UHFFFAOYSA-N	424.501	3.733	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1	778605831	JCNWQLVUVXOIMR-UHFFFAOYSA-N	422.529	3.677	10	20	HHCD	
COCC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccco1	780049474	XGUBMTZBYHCKDM-QAPCUYQASA-N	423.460	3.927	10	20	HHCD	
CCOc1cccc2[nH]cc(CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c12	782351150	XAJWVFVLJWPBSA-QGZVFWFLSA-N	407.514	3.823	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccccc2O[C@@H]2CCOC2)C2CCCCC2)cc1	784059246	IIRGQUUOBFAHCF-HXUWFJFHSA-N	423.513	3.741	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNCc1ccc(Br)cc1N1CCOCC1	788963875	MQLJKIDTIJPWNQ-UHFFFAOYSA-N	418.379	3.950	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1O	790787623	JXCJZPTUKJLKCV-FZKQIMNGSA-N	423.296	3.543	10	20	HHCD	
Cc1ccc(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(O)c1O	794033982	QOSXAYNHLHWDSI-MRXNPFEDSA-N	404.507	3.515	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCC(F)(F)CC1	794297868	ICHYXYSBNPAOOG-ACCUITESSA-N	416.540	3.987	10	20	HHCD	
COCc1nc(C)cc(NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)n1	795226482	HHKQBKVIFQOSFD-GOSISDBHSA-N	415.538	3.675	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)Oc1ccc(C=O)cc1	797191528	BLTMMHRAPIOQFF-ZDUSSCGKSA-N	406.276	3.783	10	20	HHCD	
Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)n1	799636742	XSBYICTZNMSILB-UHFFFAOYSA-N	401.513	3.621	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](S(C)(=O)=O)CC3)c2C)cc1C	800456758	HBAHAYYIUGIFBK-OAQYLSRUSA-N	416.587	3.793	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](C)CCOCc3ccccc3)CC2)cc1F	807606281	ANJXSVPOADSVMW-GOSISDBHSA-N	415.509	3.661	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	808118101	PXLCSOCMYHYXJR-LJQANCHMSA-N	402.535	3.519	10	20	HHCD	
O=C(NCC(F)(F)F)[C@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809645028	NTICUVMAZRJBET-FQEVSTJZSA-N	417.475	3.750	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c1	810049784	ZGGQHWMZQVUXBA-UHFFFAOYSA-N	417.527	3.631	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNS(=O)(=O)CCC3CCOCC3)cc2Cl)C1	814276042	LRBJNFWCNBWMDO-INIZCTEOSA-N	414.999	3.812	10	20	HHCD	
CCn1ccnc1S[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	821686093	MQKQHQCUNURPSA-CYBMUJFWSA-N	405.479	3.798	10	20	HHCD	
Cc1noc([C@H](C)OC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1	913362794	XXYVHUHHFNGZJL-YWEFTTLKSA-N	423.541	3.725	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	914437815	MBFNVUNBDCUJEO-UHFFFAOYSA-N	415.559	3.709	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1	914577018	AIZSCVQRKZTVTL-UHFFFAOYSA-N	404.513	3.945	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c(C)n1-c1ccccn1	914613489	AYKYNAXYISSAPP-UHFFFAOYSA-N	415.396	3.886	10	20	HHCD	
Cc1noc(C)c1CSCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	917711406	SPJOZDVBNCITDO-OKILXGFUSA-N	421.538	3.594	10	20	HHCD	
CC(C)Oc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	918204082	PQVPADOWFJDUKU-UHFFFAOYSA-N	415.509	3.573	10	20	HHCD	
COC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)cn1	919055152	CJBJVYYFVCTGSO-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
COc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2cccnc12	919911261	WLLSTJQMZIOBNC-UHFFFAOYSA-N	420.513	3.774	10	20	HHCD	
Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C2CC2)n1	1116901720	QHUQYAJZNQVXLH-OAHLLOKOSA-N	402.445	3.663	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3nc(COc4ccc(F)cc4)no3)CC2)cc1	1319396768	BFHNFRGYKRJDEV-UHFFFAOYSA-N	412.465	3.509	10	20	HHCD	
O=C(CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830737395	PDEPUYPNEOZQCE-GOSISDBHSA-N	420.937	3.785	10	20	HHCD	
C[C@H](Sc1nncn1C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	10649235	QGWGGABAZGHCGK-LBPRGKRZSA-N	418.478	3.508	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)SC2=S)cc1	43079755	GPKCCNIWAYRWSZ-XMHGGMMESA-N	412.536	3.938	10	20	HHCD	
COc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)cc1	69572808	XOXIADISWLOXQO-UHFFFAOYSA-N	407.344	3.574	10	20	HHCD	
CCc1nc2ccccc2n1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	108284568	SJRFFRIUNVBWFJ-IRXDYDNUSA-N	424.520	3.668	10	20	HHCD	
C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(N2CCOCC2)cc1	140963094	VWHZHUTXFDBPBP-VGOFRKELSA-N	413.493	3.506	10	20	HHCD	
CC(C)NC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	142109984	NHBPVSVRUZJJPM-QGZVFWFLSA-N	410.518	3.544	10	20	HHCD	
Cc1nc2ccccc2n1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	302692303	APWATVBCQHFJAL-NRFANRHFSA-N	406.530	3.619	10	20	HHCD	
CCn1ccnc1[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)C1CCOCC1	554145294	UIFRERSSBTWOTC-OAQYLSRUSA-N	409.534	3.670	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cnn(Cc3ccccc3)c2)SC1=S	727176946	UGXYQJXTXNWTFM-VCHYOVAHSA-N	414.600	3.720	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)cn3)cc2F)C[C@@H](C)O1	727307620	RDHIIZSSLYUJQK-BETUJISGSA-N	422.298	3.527	10	20	HHCD	
CC(C)C(=O)N1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	727843237	VGVXAPFJTZHXHY-UHFFFAOYSA-N	414.594	3.855	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	730123552	MABRUDBUTUFOLB-GOSISDBHSA-N	405.502	3.900	10	20	HHCD	
COc1cc(C2(C(=O)NCc3ccc(N4CCOCC4)cc3)CCCC2)ccc1C	731003352	HAJKKFLHNSCLSZ-UHFFFAOYSA-N	408.542	3.968	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)NCCOc1cccc(Cl)c1	732202265	KQSBPLLXNVLYIK-UHFFFAOYSA-N	414.889	3.836	10	20	HHCD	
O=C(NCCc1ccc(F)cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	732233524	UZIHJCIAEFTQFK-LJQANCHMSA-N	405.901	3.691	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1	732488597	VDDCRPCOBMMJAT-HXUWFJFHSA-N	419.485	3.654	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N(C)[C@H](c3ccccc3)C(C)C)CC2)cc1	733039410	SVLBUWWGASUHCZ-DEOSSOPVSA-N	424.589	3.856	10	20	HHCD	
COc1ccc(N(CC(=O)NC2CCN(C(C)C)CC2)Cc2cccs2)cc1	733996142	PRHLBGANNJQOAY-UHFFFAOYSA-N	401.576	3.752	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C	734703099	JOESSYVGXSEGOG-UHFFFAOYSA-N	424.545	3.609	10	20	HHCD	
O=C(CCc1nnc(-c2ccccc2)o1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735519260	PPVYQPXPOLCSKV-IBGZPJMESA-N	407.470	3.583	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(Nc4ccc(C)nn4)c3)CC2)cc1	736074035	OBWYOEHDOQYKBG-UHFFFAOYSA-N	417.513	3.936	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CCC4(CCCC4)CC3)cc2F)CC1	739004131	ONTWDQACPANNGM-UHFFFAOYSA-N	402.558	3.833	10	20	HHCD	
Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1c(O)ccc2c1CCCC2	743716936	BGWWFDRSWQCFCM-UHFFFAOYSA-N	406.530	3.727	10	20	HHCD	
Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)C2)cc1	745779712	QCSGGFBMSSXJSX-UNMCSNQZSA-N	422.573	3.861	10	20	HHCD	
COCCn1c(C)cc(/C=C2\NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C	747981069	ZDEXOVPTYKRSNK-ZDLGFXPLSA-N	403.935	3.975	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)CC2)cc1	748703973	DQGDHDOJTKVZOW-UHFFFAOYSA-N	403.482	3.607	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O	750820286	OHSOYGXBCQQWQV-IBGZPJMESA-N	400.450	3.654	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3cc(Cl)cc4c3OCC4)CC2)cc1	754157530	UVALPLUVMDYUTM-UHFFFAOYSA-N	400.906	3.565	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)cc2)CC1	755249287	KRFHCIOVTBMFDQ-KRWDZBQOSA-N	404.555	3.635	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CCC[C@H]1CO)c1cc(Br)ccc1O	757637569	HWFWHZSPEYJPDB-KXBFYZLASA-N	419.363	3.962	10	20	HHCD	
CCc1ccc(CCC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1	759238650	OEKWRYSVGGTYNW-UHFFFAOYSA-N	412.530	3.556	10	20	HHCD	
CC[C@H]1Oc2cc([C@H](C)NC(=O)NCCCSc3nccs3)ccc2NC1=O	759586197	ZVUGPYWOMHHJNK-SWLSCSKDSA-N	420.560	3.795	10	20	HHCD	
O[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccc2)c1	760704910	XCHPNHGMQHCKEC-SANMLTNESA-N	418.537	3.925	10	20	HHCD	
CCNC(=O)COc1ccc(CN2CCCc3cc(OC(F)F)ccc32)cc1OC	761222960	VIQRGGMZCKXYPT-UHFFFAOYSA-N	420.456	3.764	10	20	HHCD	
O=C(OCc1cn2cccnc2n1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	762816288	OPBSUFHDUONHKR-UHFFFAOYSA-N	417.808	3.515	10	20	HHCD	
CS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	763911003	JMLSWMXGCSWJBO-IBGZPJMESA-N	400.504	3.550	10	20	HHCD	
COc1cccc(CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]2CCCO2)c1	769124051	GIHRKRZPSCDHLU-QFIPXVFZSA-N	414.521	3.852	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1cn(C)nc1-c1ccncc1	769541973	XVAIWTLSTZCORW-UHFFFAOYSA-N	401.308	3.972	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](CC(F)(F)F)c3ccccc3C)nc12	769989694	KKSBPLQRTHNPBO-INIZCTEOSA-N	422.407	3.703	10	20	HHCD	
COc1ccc(N2CCN(Cc3cnc4ccc(Br)cn34)CC2)cc1F	770302920	UFAOOWLJAGNLLW-UHFFFAOYSA-N	419.298	3.567	10	20	HHCD	
C[C@@H](NC(=O)c1cn(-c2ccccc2Br)nn1)c1ccc(N(C)C)cc1	773995262	SIQIZHCPBHXNDO-CYBMUJFWSA-N	414.307	3.587	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cc(Cl)cc(F)c2O)C(C)C)cc1	775680218	DRVSPJGWOBHFBV-SFHVURJKSA-N	424.900	3.793	10	20	HHCD	
COc1cc(O)c(CN[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1OC	776176109	YWEMUSOLADQEME-KRWDZBQOSA-N	408.901	3.956	10	20	HHCD	
CCOC(=O)/C(=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1nccn1C	777468137	OYRFUSADLUHQMV-LICLKQGHSA-N	404.392	3.787	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	777898837	OKQDEUPPUJVQFV-UHFFFAOYSA-N	405.520	3.530	10	20	HHCD	
CC(C)[C@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1	778484749	BFBROIPSDDUHMQ-DFSFMLJYSA-N	424.613	3.613	10	20	HHCD	
Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3ccc(O)c(O)c3)[C@H]2c2cccs2)cc1	778925175	IHZLIQYIXWCNNE-VGSWGCGISA-N	422.506	3.878	10	20	HHCD	
CCN(Cc1cc(Br)cc(Br)c1O)C[C@H](O)C(F)(F)F	779192302	JRWSSJCJFQGYCJ-JTQLQIEISA-N	421.051	3.662	10	20	HHCD	
Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)nn1CCCOc1ccc(F)cc1	779540411	FSOUENXJAOMSOU-ONNFQVAWSA-N	411.433	3.863	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1noc2c1CCCCC2	780935413	LKIMCKHHHUGGDX-INIZCTEOSA-N	403.910	3.697	10	20	HHCD	
CC(C)Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)n(C)n1	783484357	BKZCIUKRNLEVRV-QGZVFWFLSA-N	419.529	3.934	10	20	HHCD	
COc1c(F)cc(F)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784107672	UDXSOZYPFCHMJF-UHFFFAOYSA-N	403.429	3.718	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)s1	787017777	SEIYTMSJXCWUMW-UHFFFAOYSA-N	411.527	3.561	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c(F)c1	790639093	LIRDBAGMSKCIRI-UHFFFAOYSA-N	406.460	3.694	10	20	HHCD	
CSc1ccccc1CN(C)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1O	794666784	XNJNVNHGZZBDHO-UHFFFAOYSA-N	414.571	3.781	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c(O)c1	797613909	PECOUEXGIRORMP-UHFFFAOYSA-N	410.499	3.742	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c(C)c(OC)c1	800629200	OXBSINJHJPQKMK-UHFFFAOYSA-N	411.502	3.899	10	20	HHCD	
CCc1oc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1C(=O)OC	800791343	MOICTVOOESUGEB-DHDCSXOGSA-N	417.464	3.733	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2	801596804	PKNSRXNXYPNLGA-GOSISDBHSA-N	412.530	3.513	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1nncn1C	805450156	DGYXWLLZFCSQHP-HNAYVOBHSA-N	418.973	3.901	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1	807269958	MJTYZBAAINYMQH-QGZVFWFLSA-N	417.575	3.839	10	20	HHCD	
CCc1ccccc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	807364602	UMAOOGMVQSEEMZ-UHFFFAOYSA-N	419.525	3.753	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC[C@H](CS(C)(=O)=O)C3)c2C)c1	817113444	IFGXYXRBDKPNCX-IBGZPJMESA-N	402.560	3.608	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c(C)n1-c1ccccn1	914904669	BZADPOGPVWVJBF-APWZRJJASA-N	405.498	3.954	10	20	HHCD	
COc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c1	916231128	FRSRLPOZHMDJSO-QFIPXVFZSA-N	404.422	3.943	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc2c(c1)CCC2	916458281	YRJXQCSJRQREJY-UHFFFAOYSA-N	404.432	3.961	10	20	HHCD	
Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1Cl	917763093	ZOFIJIQCMQETMH-UHFFFAOYSA-N	401.315	3.939	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CNC(=O)Cc2cccc3ccccc23)cc1	918112585	FQPCDVPRUTXTIW-UHFFFAOYSA-N	403.526	3.661	10	20	HHCD	
Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	918123314	TWVDZOFUILNGJF-OFNKIYASSA-N	420.557	3.743	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(-c3csc(CN4C(=O)CCC4=O)n3)c2C)cc1	918196577	WYXUGGIJXPDBOQ-UHFFFAOYSA-N	423.494	3.653	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCn3ccccc3=O)c2C)cc1F	919256547	LKDLOTCMQPGOIR-UHFFFAOYSA-N	410.445	3.520	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCSc2c(F)cccc21	919792330	XIAIFRKQVSUYOE-IBGZPJMESA-N	401.507	3.699	10	20	HHCD	
COC(=O)[C@](C)(NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccccc1	1318335004	OQCYLYXKMDZPFL-XMMPIXPASA-N	406.482	3.921	10	20	HHCD	
Cc1ccc2[nH]c(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c(Cl)c2c1	1319519311	ZNYDXBILNMEINJ-MRXNPFEDSA-N	424.932	3.761	10	20	HHCD	
CC(C)n1ncc2c1[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CCC2	1320383072	CQBXHPBTUBVGFY-PMACEKPBSA-N	412.534	3.938	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3cccc(F)c3F)CC2)cc(OC)c1OC	1320443430	TVMUUMHRTFJQRX-UHFFFAOYSA-N	423.485	3.510	10	20	HHCD	
CCCOc1c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cccc1OCC	13362924	GKLQNTOGIBFUMQ-QINSGFPZSA-N	409.529	3.940	10	20	HHCD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	24192816	OAPVQCCUZKMHEH-MRXNPFEDSA-N	415.515	3.571	10	20	HHCD	
CC(=O)Nc1c(C)ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C	65465389	WGFQJTLCBICYRV-KRWDZBQOSA-N	410.518	3.981	10	20	HHCD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	109351923	NCJLFGAFITXTKV-OCCSQVGLSA-N	420.351	3.890	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc3nnc(C)n3c2)c(C)n1-c1cccc(F)c1	109872822	LESSZSRQHAAXFK-UHFFFAOYSA-N	406.417	3.624	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)c1ccc(N2CCOCC2)cc1	141688849	FVFIQRVZODBWSK-QGZVFWFLSA-N	409.530	3.637	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)N3CCC(OC)CC3)ccc21	521681923	FKUFHZDMUNJRKI-UHFFFAOYSA-N	415.578	3.524	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)OCC(C)C)CC2)cc1	726103336	MVCKAQRXFJAVEJ-UHFFFAOYSA-N	404.555	3.543	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(C)c(Cl)c3)CC2)cc1	728514300	ZXLFUGAVPZXWKJ-UHFFFAOYSA-N	401.938	3.599	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCc2ccc(NC(C)=O)cc2)cc1F	731363827	MCEQHSCETAWMIO-UHFFFAOYSA-N	400.498	3.672	10	20	HHCD	
COC(=O)CN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(Cl)ccc1O	731847432	UVULLRIEOIAARG-UHFFFAOYSA-N	411.285	3.621	10	20	HHCD	
COc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(C)nn1C	732853038	RNAFNGLUYLHFRM-UHFFFAOYSA-N	409.486	3.801	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccnc(OC3CCOCC3)c2)C2CC2)cc1	733653024	BXBAXXAPDBWDTN-UHFFFAOYSA-N	424.545	3.580	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(OC(F)F)c2)cc1F	734221392	HDTGJCVRRCLHPB-UHFFFAOYSA-N	423.435	3.837	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCO4)cc2F)C[C@H](C)O1	735237624	HUJSBGXBIFZIGG-KBPBESRZSA-N	417.506	3.655	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(C[S@](=O)CCOC)c1	735868542	SELXSYREUXMAJB-MUUNZHRXSA-N	404.532	3.731	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1	741677832	COTJCIVNTKXSCS-UHFFFAOYSA-N	424.589	3.645	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cncc(-c2cnn(C)c2)c1	743808282	RTGVNKNUNFISFZ-UHFFFAOYSA-N	415.291	3.613	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	743893212	QLWQFWNRRVGVSH-UHFFFAOYSA-N	411.845	3.830	10	20	HHCD	
CC[C@H]1Oc2cc([C@H](C)NC(=O)NCc3ccc(N(C)C)cc3C)ccc2NC1=O	745932735	RSWNQJXNCLRBAF-MGPUTAFESA-N	410.518	3.731	10	20	HHCD	
CCc1ccc(NC(=O)c2nnc(CN3CCOc4cc(N(C)C)ccc43)s2)cc1	746497959	WMMXAIJCGBPEOJ-UHFFFAOYSA-N	423.542	3.818	10	20	HHCD	
C[C@@H](NC(=O)NC[C@@H]1SCCc2ccccc21)c1ccc(N2CCOCC2)cc1	749563661	ZSBGOXXKCCTCPL-VGSWGCGISA-N	411.571	3.914	10	20	HHCD	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	751303347	WPJLZWGGIJJWEI-MRXNPFEDSA-N	405.502	3.620	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1F	751405300	KYCGVONUDBUZJH-HXUWFJFHSA-N	413.493	3.672	10	20	HHCD	
C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751932627	VQSUIQVETGWLLO-OAHLLOKOSA-N	421.522	3.841	10	20	HHCD	
CCc1ccc(CC)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	752097495	SYQCOIVTLDFODC-FQEVSTJZSA-N	410.514	3.663	10	20	HHCD	
CN(C)c1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(F)c1	752626304	PZXXDZPQISHAKG-INIZCTEOSA-N	405.901	3.645	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccn(-c4ccccc4Cl)n3)CC2)cc1F	753749233	YZBGNCNIFPEUGZ-UHFFFAOYSA-N	414.868	3.636	10	20	HHCD	
Cc1ccc(Cl)c(OC[C@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1	754136008	HXICHBVYCFEYSE-YLJYHZDGSA-N	404.938	3.576	10	20	HHCD	
C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	755418772	DWAPESNRLUPACH-HNNXBMFYSA-N	420.525	3.971	10	20	HHCD	
CCOc1ccc(C2(CN[C@@H](C)c3cc(C(=O)OC)ccc3O)CCOCC2)cc1	756453314	DZUYPAYSRUELAX-KRWDZBQOSA-N	413.514	3.977	10	20	HHCD	
COc1cc([C@@H](C)N[C@H](C)c2ccc(Br)cc2O)ccc1OCCO	756462090	YVWZZRZXCNGRHP-CHWSQXEVSA-N	410.308	3.946	10	20	HHCD	
C[C@H](NC(=O)Nc1ccccc1O[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1	760061343	HUGMUXJPESBQBR-PXNSSMCTSA-N	411.502	3.574	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1noc(-c2ccccc2)n1	761799445	PJSAHAVJOWQQRU-APWZRJJASA-N	422.485	3.894	10	20	HHCD	
CCOc1ccc2c(c1)[C@H](N1C(=O)CN(Cc3cc(Cl)ccc3O)C1=O)CCO2	761858314	TXFSKYZCYSVJAA-QGZVFWFLSA-N	416.861	3.732	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Cl)cc1OC(F)F	762663698	BEIGOWKNXXHGHA-UHFFFAOYSA-N	421.831	3.573	10	20	HHCD	
COc1cccc(CNc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c1O	763495243	AKXHAVVHDMPDHJ-HNNXBMFYSA-N	401.482	3.965	10	20	HHCD	
COc1cccc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)c1O	763507246	QOEZOKILLPGJIY-UHFFFAOYSA-N	418.541	3.773	10	20	HHCD	
COc1ccc([C@@H](CO)N(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	764402277	SAQOCRQFDGQHHS-HSZRJFAPSA-N	411.546	3.807	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2	767045214	FCCQRUOZOBNTHC-UHFFFAOYSA-N	407.514	3.649	10	20	HHCD	
Cc1cc(C(=O)N(C)CCNC(=O)C(C)C)c(C)n1-c1cccc(Br)c1	768027532	DZWCNJVSRDKPCV-UHFFFAOYSA-N	420.351	3.701	10	20	HHCD	
COc1cccc(O)c1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	768162377	DHXYEUMPHKQKLB-UHFFFAOYSA-N	401.816	3.790	10	20	HHCD	
Oc1cc2c(cc1CN1CCN(C3c4ccccc4-c4ccccc43)CC1)[C@H](O)CO2	768463701	VSUOUXXUVOXHFN-XMMPIXPASA-N	414.505	3.706	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)C(C)C)c1	769845172	AFSLIXVXPLCDTQ-UHFFFAOYSA-N	402.560	3.986	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)c(C)n1-c1ccccn1	771199411	GVPRTPOSVIMFKA-SFHVURJKSA-N	414.303	3.715	10	20	HHCD	
C[C@@H](NCc1cn(-c2ccccc2Br)nn1)c1ccc(N(C)C)cc1	772962120	YCLWJHXHIWLWHJ-CQSZACIVSA-N	400.324	3.947	10	20	HHCD	
COCC1(C)CCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	773721065	GTRQRGJMXHGQQO-INIZCTEOSA-N	420.509	3.538	10	20	HHCD	
COc1ccc(Br)c2[nH]c(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc12	773741397	WNVXVEOCNLPJAW-JTQLQIEISA-N	419.275	3.711	10	20	HHCD	
CN1CCN(c2ccc(CNc3nc4ccc(Br)cc4[nH]3)cc2)CC1	775174307	ZYJBXOAVZYXGDT-UHFFFAOYSA-N	400.324	3.689	10	20	HHCD	
CCNC(=O)COc1cccc(CN[C@H](C)c2cc(Br)cc(C)c2O)c1	779002409	GIYBRGPYZSJQFA-CQSZACIVSA-N	421.335	3.829	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1	779497331	CKLSDNFAWFSEBW-CRLZUZNUSA-N	415.449	3.793	10	20	HHCD	
Cc1nc([C@H]2COCCN2C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)no1	779694401	VKXLSIDZSFTBKD-LJQANCHMSA-N	414.893	3.582	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NC3CCN(c4nccs4)CC3)C2)cc1	781516733	AXQZAMDBAYUEQY-MRXNPFEDSA-N	408.518	3.972	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCCN(C(=O)C2CC2)CC1	782122306	NCDNNXOBYZZKNM-UHFFFAOYSA-N	419.485	3.511	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1-c1ccccc1	783317081	UEOJWURZNLABRW-UHFFFAOYSA-N	419.529	3.622	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(-c3ncon3)cc2)C2CCCCC2)cc1	784058932	CNIUMCBVONCSEV-UHFFFAOYSA-N	405.458	3.623	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O	785920235	AWRGPNZKCBWADL-NRFANRHFSA-N	400.567	3.608	10	20	HHCD	
O=C(Cc1ccc(Br)c(Cl)c1)NCc1ccc(N2CCOCC2)cc1	786819335	MXPCRBRLDLUJSC-UHFFFAOYSA-N	423.738	3.798	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ncnn3-c3ccccc3)cc2)CC1	787209646	RVXYBTZBSPLFCP-UHFFFAOYSA-N	404.518	3.503	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(OC)cc3OCC3CC3)CC2)cc1	788198567	MBDAAJMVRKWTGX-UHFFFAOYSA-N	410.514	3.891	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c1	788720851	SBXKXLHDROGSJQ-NSHDSACASA-N	402.401	3.962	10	20	HHCD	
CSc1ccccc1CN(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	792038058	INNPUIGLSYPDGA-UHFFFAOYSA-N	417.550	3.850	10	20	HHCD	
C[C@H](CCc1ccc(I)cc1)NC(=O)NCc1ccccc1O	792951443	AEFBWXYIHSITDK-CYBMUJFWSA-N	424.282	3.817	10	20	HHCD	
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1	795613527	LJKWUZYWQWGVGK-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
C[C@H](OC(=O)C(C)(C)C(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	795860647	NYWCONCBIHLQQU-NSHDSACASA-N	415.392	3.624	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCC3([S@@](C)=O)CCC3)cc2Cl)C1	799986856	HYUNFFFBVCSBBO-KUNJGFBQSA-N	411.999	3.677	10	20	HHCD	
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800048823	IPRRPUWHUICZQE-CQSZACIVSA-N	419.913	3.696	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1cccc(Cl)c1	803700030	ZROKOPMXAJNVSZ-UHFFFAOYSA-N	402.922	3.878	10	20	HHCD	
Cc1ccc(Cl)c2sc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)nc12	804923411	VEHJXXLQIRCTTP-UHFFFAOYSA-N	411.892	3.588	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(N2CCOCC2)cc1	806541232	HMZOGMVBYJPXDR-YYDVJCTNSA-N	410.562	3.575	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccc(C(F)F)cc1	807175658	OREVJYPYNQPLED-UHFFFAOYSA-N	415.484	3.889	10	20	HHCD	
COc1ccc2cc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2n1	807511039	DGZGKSONEDALNJ-UHFFFAOYSA-N	420.252	3.511	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2Cc3ccccc3OC(C)(C)C2)c1	808236793	OAYDNDZHIUHVMJ-UHFFFAOYSA-N	424.541	3.600	10	20	HHCD	
O=C1NCCCN1C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1	809584558	YVISZRMLCMCCFF-UHFFFAOYSA-N	404.558	3.629	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1F	812018012	OTOZJHOGLKTQIT-ZWKOTPCHSA-N	417.485	3.563	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1[N+](=O)[O-]	812562278	OWXMZCYOJFKENJ-UHFFFAOYSA-N	417.468	3.762	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](O)c1ccc(Cl)cc1	813433512	PAPZIMPOTVFNRM-SFHVURJKSA-N	410.848	3.760	10	20	HHCD	
O=C(Cc1ccccc1)N1CCc2ccc(NCc3cc4c(cc3O)OCO4)cc21	815156815	DJRWBOPQAMECHT-UHFFFAOYSA-N	402.450	3.865	10	20	HHCD	
CC(=O)NC(C)(C)c1noc(-c2cc(C)n(-c3ccc(Br)cn3)c2C)n1	904587526	NHNDYLRLXHISIE-UHFFFAOYSA-N	418.295	3.673	10	20	HHCD	
Cc1sc(NC(=O)[C@@H]2CCS(=O)(=O)C2)c(C(=O)OC(C)C)c1-c1ccccc1	913193392	LQNAXGALYJHCCA-OAHLLOKOSA-N	421.540	3.662	10	20	HHCD	
C[C@@H](Cc1cccs1)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	914742310	CNLKBIPVKFDDRD-LBPRGKRZSA-N	420.446	3.793	10	20	HHCD	
Cc1ccn2c(CN3CCN(Cc4cc(C(C)(C)C)cc(O)c4O)CC3)c(C)nc2c1	917070278	UQNRFEDINMNRSO-UHFFFAOYSA-N	422.573	3.978	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1	917474981	AGNQOQYIIQNMGM-UHFFFAOYSA-N	421.541	3.764	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1	918119534	DJBWIILGCOGCFP-UHFFFAOYSA-N	422.573	3.997	10	20	HHCD	
CCCCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	918439133	SPVAACRWJUJEHJ-UHFFFAOYSA-N	411.571	3.837	10	20	HHCD	
Cc1ncc2c(n1)CC[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)C2	919655420	UAMNESQPEWMVBE-FQEVSTJZSA-N	419.529	3.713	10	20	HHCD	
COc1cccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1OC(F)F	920474143	WSPBKCYWOMPNAQ-GXDHUFHOSA-N	414.499	3.592	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cc1F	1251483106	VDJUMRNKAVUEKG-UHFFFAOYSA-N	418.476	3.625	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1	1317785691	SMPDSYCEGSLUHU-QGZVFWFLSA-N	406.935	3.539	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(N2CCCS2(=O)=O)c(F)c1	1320409530	VCTNUKKPFYFREK-PBHICJAKSA-N	404.507	3.718	10	20	HHCD	
Cc1nc(N2CCCCC2)sc1CN(C)Cc1ccc(N2CCOCC2)cc1	1341523679	ZIUQUSIWGJTCKQ-UHFFFAOYSA-N	400.592	3.910	10	20	HHCD	
C/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830740141	IOGMZRKQOHMXLK-RTZWDOBSSA-N	406.910	3.561	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)C23CCC(CC2)CC3)C1	1846695849	DFWFDERBKWPIEC-UHFFFAOYSA-N	418.921	3.539	10	20	HHCD	
Cc1noc(Cl)c1CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	110147585	KXCLWSDBCGYJGG-SFHVURJKSA-N	405.926	3.843	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1	237388656	MFDVJEGDVBDEDT-GOSISDBHSA-N	401.576	3.778	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCN(C3CCCC3)C2)C1	444188434	UIWYJUGVUYKVOM-IBGZPJMESA-N	408.590	3.541	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	726275667	YFQSQBXCGFXCJU-IEBWSBKVSA-N	418.582	3.930	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(F)cc4nc(C)c(C)nc34)CC2)cc1	726563107	USIYEHXJFINSRY-UHFFFAOYSA-N	408.477	3.793	10	20	HHCD	
C[C@@H](NC(=O)[C@@](C)(CC(=O)O)C1CCCCC1)c1ccc(N2CCOCC2)cc1	726604146	HFHMFXBDZOFAFM-HXOBKFHXSA-N	402.535	3.762	10	20	HHCD	
CC(C)N(CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C	727121971	ZBYDSEXIYSKVIV-UHFFFAOYSA-N	419.566	3.517	10	20	HHCD	
COc1ccc(N2CCCN(C(=S)Nc3ccc4c(c3)OCCCO4)CC2)cc1	727277179	LVHNAKULLCPHPP-UHFFFAOYSA-N	413.543	3.766	10	20	HHCD	
CN1CCN([C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c2ccccc2)CC1	727752904	FODLHLWWPJUXKD-VWLOTQADSA-N	420.601	3.624	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)n1-c1ccccc1	728914227	COOTXHVQWRRKFA-LJQANCHMSA-N	403.530	3.694	10	20	HHCD	
COc1ncnc(OC)c1C(=O)OCC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	729868856	PQEHTLWXZATQAB-UHFFFAOYSA-N	423.469	3.558	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2cccc3ncccc23)c1C	731342871	DNMSVJNIJHDMRM-UHFFFAOYSA-N	414.513	3.852	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1F	731363611	GKHOHJSEUZKANX-NRFANRHFSA-N	404.505	3.913	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2cnn(-c3ccccc3)n2)cc1F	731363922	PUUFRWXYZSVRCJ-UHFFFAOYSA-N	410.497	3.594	10	20	HHCD	
CN1C(=O)C[C@H](C(=O)NCCCSc2nccs2)[C@H]1c1cccc(Cl)c1	734436450	VGPWBMSHHVHXGZ-GOEBONIOSA-N	409.964	3.615	10	20	HHCD	
Cc1cccc(N2C[C@H](C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)CC2=O)c1C	735519676	RUZNTNPCZPHACQ-RTWAWAEBSA-N	422.525	3.570	10	20	HHCD	
Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCc1ccc(N2CC=CC2)cc1	740920428	ZDUOBCCIVXTCNU-UHFFFAOYSA-N	412.921	3.853	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1	741057392	VRKPJOKCNNAZJQ-NRFANRHFSA-N	406.486	3.502	10	20	HHCD	
COc1cc(OC)cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742802533	YVRMBFHANRXNHI-OAHLLOKOSA-N	406.429	3.704	10	20	HHCD	
O=C(NC[C@H]1Cc2ccccc2O1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743534307	RHBADAHHFSFJGS-VQIMIIECSA-N	417.456	3.560	10	20	HHCD	
Cc1cc(CC(=O)NCCC(=O)NCc2cccnc2)c(C)n1-c1ccc(Cl)cc1	743950702	XPOASTHMZWOCIK-UHFFFAOYSA-N	424.932	3.508	10	20	HHCD	
Cc1cccc2c(CCC(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c[nH]c12	745136397	FUGMIIFCOAIDRU-UHFFFAOYSA-N	407.514	3.677	10	20	HHCD	
COc1ccccc1C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C	747949476	QGQSUSPEGGQSJL-QFIPXVFZSA-N	411.546	3.598	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cc2ccc(Cl)nc2cc1F	750168111	JYOGQZOALVMSQC-UHFFFAOYSA-N	421.881	3.681	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)c(C)n1-c1ccccn1	753734173	UYCOXMLQJMPELT-UHFFFAOYSA-N	418.497	3.650	10	20	HHCD	
Cc1cc(C(=O)Nc2c[nH]c(C(N)=O)c2)c(C)n1-c1ccccc1Br	756968228	OMLCETFDIOQIJE-UHFFFAOYSA-N	401.264	3.536	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)c2cccs2)cc1	759588862	OYGCDOGTWGAHER-RRZSJFKKSA-N	423.490	3.930	10	20	HHCD	
COc1ccc2c(c1)[C@H](C(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CC2	761572806	CJXLHWMLRDLOPO-JXXFODFXSA-N	412.505	3.794	10	20	HHCD	
Cn1c(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)nc2cccc(Cl)c21	761645678	YWKAFTQUSSYUDE-UHFFFAOYSA-N	419.268	3.550	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1	762968810	RKMFXPZRGWYNMQ-SFHVURJKSA-N	422.485	3.964	10	20	HHCD	
CCc1ncc(S(=O)(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)s1	763492565	ZQRSBKWEAFDDNQ-UHFFFAOYSA-N	411.530	3.647	10	20	HHCD	
Oc1cc2c(cc1CN1CCC[C@H](c3nc(C(F)(F)F)cs3)C1)[C@@H](O)CO2	768461385	CCLFZEKKJDWPHI-HZMBPMFUSA-N	400.422	3.673	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	769865211	NBLREPYNNRPWRN-ROUUACIJSA-N	422.504	3.863	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c(Cl)nc2ccccn12	771063326	FJMRGAATAPDJRT-HNNXBMFYSA-N	419.312	3.741	10	20	HHCD	
CN1CCC2(CCN(Cc3c(O)ccc4cc(Br)ccc34)CC2)C1=O	773326927	DGSQOJDJJFJLPG-UHFFFAOYSA-N	403.320	3.752	10	20	HHCD	
C[C@H](NC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	773619105	QYBSREYDUAYGIX-INIZCTEOSA-N	404.555	3.760	10	20	HHCD	
C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccc(N(C)C)cc1	773627905	ZKFYTEJTOUXFAX-MRXNPFEDSA-N	414.937	3.635	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(C(F)(F)F)c1	774921889	DXRXRTUTLXEPDK-HNNXBMFYSA-N	417.431	3.575	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(F)cc1Cl	775631344	GEEIOZGVRMQGQS-QGZVFWFLSA-N	402.249	3.547	10	20	HHCD	
COc1cc(O)c(CNC[C@H](O)c2cccc(OCc3ccccc3)c2)cc1OC	776236290	BAFGSEZPNZTRBN-QFIPXVFZSA-N	409.482	3.812	10	20	HHCD	
C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1	776238319	IWWYOJMEKSEVIA-MRXNPFEDSA-N	404.505	3.865	10	20	HHCD	
C[C@H](NC(=O)N1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(N(C)C)cc1	776246171	PKKOPZLGOMYQFV-INIZCTEOSA-N	407.518	3.916	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1	777229985	RDVCPCKIPJINDR-MRXNPFEDSA-N	413.518	3.699	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)/C=C\C(=O)Nc3ccc4n[nH]cc4c3)cc2)CC1	778720400	VKQLWMPWXDXMET-HJWRWDBZSA-N	417.513	3.610	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H]([C@H](C)O)C2)c(C)n1-c1ccc(OC(F)(F)F)cc1	780361126	MVWHBPMDGKYYCM-HOTGVXAUSA-N	410.436	3.878	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCCS(=O)(=O)N(C)C)cc1	781938516	FXGJQLVFRBNVPW-UHFFFAOYSA-N	418.519	3.606	10	20	HHCD	
CC(=O)Nc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1C	784109596	WMRJOEXAAAYXKI-UHFFFAOYSA-N	408.502	3.698	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1(c2ccc(F)cc2)CC1	789760327	CZSJKRDVPWOTAH-UHFFFAOYSA-N	423.532	3.622	10	20	HHCD	
CS(=O)(=O)CC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1	789916160	GJFWJNUVTDKEPZ-QFIPXVFZSA-N	414.571	3.512	10	20	HHCD	
CCOc1cccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1	793825552	FIYGDELXJOZWPQ-SFHVURJKSA-N	411.546	3.767	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2cnccn2)c(C)n1-c1ccc2c(c1)CCC2	795921418	FZAYQRYARBVNND-UHFFFAOYSA-N	403.482	3.732	10	20	HHCD	
CCOc1ccc(O)c(CNc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)c1	796399814	VRNHSHIDQOBABT-UHFFFAOYSA-N	422.547	3.832	10	20	HHCD	
CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c(O)c1	800541458	ZIBZWGYFIPLSEX-FQEVSTJZSA-N	413.518	3.980	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2cc(Cl)ccc2F)cc1F	804856430	YXEFOALDAMXJMT-UHFFFAOYSA-N	423.891	3.739	10	20	HHCD	
CCOC1CC2(CCN(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)C2)C1	804970557	XZRCDUJDHODWCS-UIRKKDGMSA-N	419.541	3.540	10	20	HHCD	
O=C(NCCCC(=O)N1CCc2ccccc21)NCc1cc(Cl)cc(Cl)c1O	806787450	HIPUSXXASOMWPL-UHFFFAOYSA-N	422.312	3.868	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	807100676	ONXJZQLCBGLYDY-GOSISDBHSA-N	416.525	3.617	10	20	HHCD	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C2CC2)o1	807290121	PZAFVXBOWQHYHJ-VGOFRKELSA-N	419.525	3.587	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1	808094425	OCKISHUXPXOTFF-UHFFFAOYSA-N	403.454	3.651	10	20	HHCD	
O=C(NCCCN1CCCC1)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	809731697	NXFLHCGZPQNPJZ-UHFFFAOYSA-N	414.377	3.513	10	20	HHCD	
CC[C@H](NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O	811505294	AITQMTQXBXMYQE-KCXAZCMYSA-N	408.486	3.560	10	20	HHCD	
O=S(=O)(Cc1ccccc1)Nc1cccc(NCc2cc3c(cc2O)OCO3)c1	813791366	AXIHBVUVERWOLY-UHFFFAOYSA-N	412.467	3.675	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(F)c(F)c(F)c3F)cc2F)C[C@@H](C)O1	917710398	IKAFNCDXIXMMNV-GHMZBOCLSA-N	414.374	3.926	10	20	HHCD	
CCCCCc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	918311983	YDHNOWIVOCSRTK-UHFFFAOYSA-N	423.557	3.853	10	20	HHCD	
CC[C@H](C)Oc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	919910158	CJJKWNIXOFZMIF-PKOBYXMFSA-N	424.545	3.887	10	20	HHCD	
O=C(CC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1)NC1CCCC1	920043229	KBHDDPRDSLDJFO-UHFFFAOYSA-N	412.578	3.657	10	20	HHCD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	921151174	JVSLRHMVIYUNSJ-XMSQKQJNSA-N	400.519	3.849	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1nc(C2CCCCC2)no1	1116752794	KYQNIBVCIHVQEX-INIZCTEOSA-N	401.530	3.859	10	20	HHCD	
Cc1ccc2ncc(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)c(=O)n2c1	303069133	OFDNQVHCIIHBGA-UHFFFAOYSA-N	404.514	3.702	10	20	HHCD	
Cc1c(CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)n(C)c2ccccc12	472225347	YHCOMWJSVGNROA-HXUWFJFHSA-N	410.905	3.523	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)ccc21	558561850	AMDFFLHEQGHMFA-GOSISDBHSA-N	400.910	3.842	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	728024669	VVRXFAYGOOFUIT-KLBHJJEPSA-N	401.576	3.551	10	20	HHCD	
CN(C)C(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	728465419	PQXBIHVOVMXTMW-UHFFFAOYSA-N	405.498	3.890	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)ccc21	728637267	CCUVCGZQQFDSST-UHFFFAOYSA-N	415.877	3.748	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)N2CC(C)(C)c3c(Cl)cccc32)c1	729062815	FMSWURIIAJFSCB-GFCCVEGCSA-N	402.878	3.556	10	20	HHCD	
COc1cccc(CNC(=O)c2cc(C)nc3ccc(Br)cc23)c1O	729858962	ISESDBYOADIWHU-UHFFFAOYSA-N	401.260	3.950	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CCc4ccc(C)cc43)CC2)cc1	730113602	UNMSENDPLSJXOD-DEOSSOPVSA-N	422.573	3.502	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(C)c(C(=O)NC(C)C)c3)CC2)cc1	731281491	LHPRUNIOMVOVLN-UHFFFAOYSA-N	424.545	3.932	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(S(=O)(=O)CC)ccc2F)cc1	732534997	LFDLWNWBXNODFR-UHFFFAOYSA-N	406.523	3.738	10	20	HHCD	
Cc1cc(C(=O)N(C)CCN2CCCC2=O)c(C)n1-c1cccc(Br)c1	732974822	NYLYOMGYPZSOJZ-UHFFFAOYSA-N	418.335	3.551	10	20	HHCD	
O=C(NCCCSc1nccs1)c1csc(-c2ccc3c(c2)OCCO3)n1	733972028	IUYMFFDNBSSGGD-UHFFFAOYSA-N	419.553	3.950	10	20	HHCD	
Cc1cc(C(=O)N2CCN(Cc3cccc(O)c3)CC2)c(C)n1-c1ccc(F)cc1	738527306	WTXWDRGUABEFME-UHFFFAOYSA-N	407.489	3.897	10	20	HHCD	
COc1cc(N(C)CC(=O)Nc2nc3ccc(F)cc3s2)cc(OC)c1OC	741795766	PHGUOTPRDFRCCS-UHFFFAOYSA-N	405.451	3.536	10	20	HHCD	
COCCOC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	742091667	YAEIEZRXOGVHCS-CYBMUJFWSA-N	409.324	3.638	10	20	HHCD	
CN(C)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742799418	ADQXZTONHXHLMB-GOSISDBHSA-N	403.473	3.748	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3ccc(SC(C)C)cc3)CC2)cc1	742921116	XXWZDFXPOKSBOS-UHFFFAOYSA-N	413.587	3.748	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H](C)Oc3cccc(F)c3)CC2)cc1	743675564	WKSFYLQTJVHKNS-KRWDZBQOSA-N	401.482	3.524	10	20	HHCD	
CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	745183264	RKRQKDVPCCQAOJ-SFHVURJKSA-N	411.546	3.854	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(F)cc1	745389823	SYFOVJLSPWYFQQ-NRFANRHFSA-N	408.477	3.732	10	20	HHCD	
C[C@H](OC(=O)[C@@H](C)C(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	745620658	BKTJVEXKSAOAAW-MNOVXSKESA-N	419.355	3.531	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC[C@@H](c4nnc5n4CCC5)C3)c2C)c1	747210383	CXHPAHHJLJHAJV-LJQANCHMSA-N	403.530	3.960	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)CC2)cc1	748525760	UUCWYGVPEMOREQ-UHFFFAOYSA-N	417.513	3.710	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3CS(=O)(=O)c4ccccc43)c2C)c1	749394730	WGDFPAFVKBSVMF-OAQYLSRUSA-N	408.523	3.969	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@H]3C[C@@H](C)c4c(F)ccc(O)c43)CC2)cc1	756393182	QCRYLYBEBVVNEO-BEFAXECRSA-N	418.534	3.831	10	20	HHCD	
C[C@@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(Br)cc1O	756803799	UNYQTGOPGQDZLI-CQSZACIVSA-N	419.319	3.729	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCCCCC2)c1)c1ccccc1Cn1cncn1	758398857	WYOGBDLYBVXADP-UHFFFAOYSA-N	411.531	3.508	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)NCCCSc1nccs1)O[C@@H](C)C2	759545921	GSOLZZJRKJWPDQ-ZDUSSCGKSA-N	407.561	3.847	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)c1	761980371	BMSFMBRINNURJO-INIZCTEOSA-N	417.527	3.673	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(C(C)C)cc1	764028116	JMTHSAJBJBWXCR-FQEVSTJZSA-N	402.560	3.867	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@@H]2NC(=O)NCc2cccc(Br)c2O)c1	764807713	UWFXMNSGCFUPIE-RDJZCZTQSA-N	405.292	3.909	10	20	HHCD	
Cc1onc(-c2ccncc2)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	764923923	GJIQJPUNHRUCMH-HUUCEWRRSA-N	424.476	3.728	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@@H](c1ccccc1)N1CCCC1	765421040	RJNULDSDEZFYQF-SFHVURJKSA-N	418.335	3.791	10	20	HHCD	
CN(C)c1nc2cc(NC(=O)NCc3ccc(N4CCSCC4)cc3)ccc2o1	766160314	CSIQVNQPGDIPEU-UHFFFAOYSA-N	411.531	3.769	10	20	HHCD	
Cc1nn2c(CN[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c(C)nc2s1	766472489	DMODTBQFGKISPK-AWEZNQCLSA-N	407.490	3.768	10	20	HHCD	
Oc1ccccc1CN(Cc1nc(-c2ccc(F)c(F)c2)no1)C[C@H]1CCCO1	767900675	SXYPDNAQRAKSTO-MRXNPFEDSA-N	401.413	3.902	10	20	HHCD	
Cc1ccc(CS(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1F	768813962	AFTWQOHUFJLAHG-HZPDHXFCSA-N	424.513	3.506	10	20	HHCD	
CC(C)(C)OC(=O)c1ccccc1OCCOC(=O)/C=C\c1ccc(O)c(O)c1	769117906	VEOIYKCNPYCYOJ-LUAWRHEFSA-N	400.427	3.689	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1	769507732	FAYMULUIJGUMPQ-QGZVFWFLSA-N	411.424	3.522	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(Cc2cccnc2)CC1)c1ccc(N2CCOCC2)cc1	770760437	GAERBWXJBNISTR-LJQANCHMSA-N	408.546	3.644	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)Cc1cc(=O)oc2cc(O)ccc12	772799198	XVNULNIULLIZBM-UHFFFAOYSA-N	404.260	3.989	10	20	HHCD	
CCOC(=O)C[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1	773615920	ZPQPUHJBSBTWTL-YWZLYKJASA-N	401.482	3.946	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1-c1cccc2ncccc12	773995846	XLOMQAOGFLZRAT-HNNXBMFYSA-N	400.486	3.681	10	20	HHCD	
Oc1c(Br)cccc1CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2	775147453	SGBFJDHWGOQRQD-UHFFFAOYSA-N	416.275	3.606	10	20	HHCD	
CC1CCN(C(=O)c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2)CC1	775183079	HCBAXDNHFCUFIG-UHFFFAOYSA-N	406.574	3.923	10	20	HHCD	
CCCNC(=O)NC(=O)COC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	775235836	UKOHJZWPWPNAEW-UHFFFAOYSA-N	411.462	3.561	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)c2ccc(Br)cc2O)cc1	775565048	BYJPFIJCAFXAQJ-KGLIPLIRSA-N	412.349	3.976	10	20	HHCD	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775834145	PXLHYTXMYZWEMO-IBGZPJMESA-N	410.562	3.589	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(C(F)(F)F)n1	786423106	DTORVSGFLMLMJL-UHFFFAOYSA-N	408.424	3.542	10	20	HHCD	
Cc1ccc(CNC(=O)NCCCSc2nccs2)c(-n2cc(Cl)cn2)n1	786787963	AVEOAHAXYGDRNF-UHFFFAOYSA-N	422.967	3.667	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3ccc4ncccc4c3)cc2F)CC1	792073504	HPFBLCGXOVOAIW-UHFFFAOYSA-N	421.520	3.515	10	20	HHCD	
COCC1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCN(C(=O)OC(C)(C)C)CC1	793573058	CALBTJAPGLEPHU-HNNXBMFYSA-N	423.510	3.615	10	20	HHCD	
CCOc1cccc(CNc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1O	796392996	WUYYISCUEHBIFS-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1cccc(Br)c1O	799002566	QJMUIQUFKJLDCU-UHFFFAOYSA-N	402.292	3.916	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccccc2Br)SC1=S	799200429	AOTFUNNVAKTNKD-XFXZXTDPSA-N	400.319	3.604	10	20	HHCD	
COCCO[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	799995101	XYCDTMQCWYHKSQ-SJLPKXTDSA-N	409.958	3.523	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCOc3ccc(Br)cc3C2)cc1	801965976	GTERGBPINLTTPL-UHFFFAOYSA-N	404.308	3.619	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-n2cccn2)ccc1C	802609588	FDESTSVWSALNBK-UHFFFAOYSA-N	406.486	3.654	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCC(C)(C)c1cccc(Cl)c1)c1ccc(N(C)C)cc1	803700034	ZUZWSNHQNTWWIT-OAHLLOKOSA-N	401.938	3.677	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1	804687168	LPWXUDTYGUYXTQ-JOCHJYFZSA-N	423.944	3.990	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N3C[C@@H](C)C[C@@H]3c3cccnc3)cc2)CC1	805023154	PHTPNRSSQIGFDF-WMZHIEFXSA-N	420.557	3.544	10	20	HHCD	
CCOC(=O)N[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)CC(C)C	805180981	NQZIHMAXCVWCBY-ZDUSSCGKSA-N	406.310	3.659	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@@H](c1ccccc1)N(C)C	807404252	JUEQQHXGXCCZRL-ZEYPLWLESA-N	411.546	3.774	10	20	HHCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CCO1	808069481	WVALHDBPOOIWQK-RBBKRZOGSA-N	417.594	3.590	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)C2CCN(S(=O)(=O)CC)CC2)cc1F	809786339	YMYBDVHYNSRHEJ-KRWDZBQOSA-N	413.603	3.554	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(C(C)C)nn1-c1ccccc1	810364730	GMACJAQSJNCUAC-UHFFFAOYSA-N	419.529	3.625	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnnc(-c2ccccc2)c1	810630810	CHZXVXUXRCZQQU-HXUWFJFHSA-N	422.916	3.897	10	20	HHCD	
Cc1ccc([C@H](O)c2ccccn2)cc1NCc1ccc(N2CCN(C)CC2)cc1	812846980	UPDAOBCDEAFQPV-VWLOTQADSA-N	402.542	3.836	10	20	HHCD	
COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)c1	914571660	WRORVAAUDSJBPA-UHFFFAOYSA-N	412.530	3.799	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(C/C=C\c2ccccc2)CC1	916588437	YIGUIDCTIKVYEV-TWGQIWQCSA-N	404.558	3.827	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(Cl)cc1C(F)(F)F	917762047	PGPLTBZAURMAQT-UHFFFAOYSA-N	420.840	3.996	10	20	HHCD	
CCOC(=O)Cc1csc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1	918000204	YYTPPDMIQIAJPN-UHFFFAOYSA-N	404.536	3.757	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C)cc1	918118384	QIYSUKQXHJRLNK-RBBKRZOGSA-N	408.546	3.647	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CCC3(CC2)OCCO3)cc1	919657078	RJEOYSDXZBKQKQ-UHFFFAOYSA-N	413.518	3.743	10	20	HHCD	
CCCCO[C@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	920918207	XMNIPYCMOOFDJK-HUUCEWRRSA-N	423.465	3.537	10	20	HHCD	
CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(N2CCN(C)CC2)c(F)c1	1317946781	SMLACVSTJYIKRA-HXUWFJFHSA-N	402.901	3.817	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccn(C4CCCCC4)n3)CC2)cc1F	1326527724	HRNGNZHIQQUWOF-UHFFFAOYSA-N	401.486	3.890	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	4297143	IOWDTBJNIQBBSI-UHFFFAOYSA-N	407.392	3.626	10	20	HHCD	
C[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1	145500231	HFVWZAHFODWVAE-MBSDFSHPSA-N	410.514	3.572	10	20	HHCD	
COCC[S@@](=O)Cc1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	303634508	GIYHOHYCNXOYGY-GDLZYMKVSA-N	411.527	3.637	10	20	HHCD	
Cc1c(CNC(=O)N(C[C@@H](O)COc2ccccc2)C(C)C)n(C)c2ccccc12	472222701	NGJWFKZQUDMDRV-LJQANCHMSA-N	409.530	3.847	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1OCC(F)F	472810475	YHKNFXTUGBIOTI-UHFFFAOYSA-N	415.440	3.694	10	20	HHCD	
Cc1c(CN[C@@H](C(N)=O)c2ccc(Br)cc2F)n(C)c2ccccc12	481604947	MZXYPJFSCNISRN-GOSISDBHSA-N	404.283	3.705	10	20	HHCD	
CO[C@@H](c1ccc(F)cc1)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1	547217597	OVMBOKNEZIQXTG-SFHVURJKSA-N	409.442	3.828	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	726244252	BSCOWCKTELLXSY-RXVVDRJESA-N	414.550	3.560	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnc(N)c(Cl)c2)c(C)n1-c1cccc(F)c1	728632561	MBXCLUOYQXSGBA-UHFFFAOYSA-N	401.825	3.904	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCCCSc3nccs3)C2)cc1	733973009	CZOMDYNMONJREH-KRWDZBQOSA-N	403.573	3.602	10	20	HHCD	
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccco1)Cc1ccccc1O	735930382	JOCKHTHSXZZVMN-UHFFFAOYSA-N	418.409	3.922	10	20	HHCD	
CCN(CC)c1ccc(CNC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1F	740002039	LBIKTHWFEVBWNJ-XMMPIXPASA-N	415.553	3.844	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)c(OCCC(C)C)c2)c1	740496303	WTRPUCSHXLVXEK-INIZCTEOSA-N	414.502	3.950	10	20	HHCD	
CS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1[N+](=O)[O-]	740801270	TXFCKNQUHRSSJX-UHFFFAOYSA-N	417.487	3.631	10	20	HHCD	
CCn1nc(C)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1Cl	741908593	HBTWGGGMVBQFPD-CHWSQXEVSA-N	408.905	3.548	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1SCCc2sccc21	742690343	PEDQUZRFTHKPII-FQEVSTJZSA-N	402.585	3.604	10	20	HHCD	
COc1ccccc1CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743504244	BPMMGVPNVGVMHH-KRWDZBQOSA-N	419.472	3.807	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(Br)cc1	748695991	XLSVIBAKTQTXCJ-UHFFFAOYSA-N	417.347	3.877	10	20	HHCD	
Cc1cc(C(=O)CN(C)CC(=O)N2CCCC2)c(C)n1-c1ccc(F)c(Cl)c1	749893907	MKWWZWJOEBYDKM-UHFFFAOYSA-N	405.901	3.624	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccn(-c3ccc(F)cc3)n2)cc1	750874747	NIHNPKKYTFNDQC-JOCHJYFZSA-N	422.504	3.899	10	20	HHCD	
COc1ccc2cccc(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2c1	753963248	GPMBMVABDQOGGR-UHFFFAOYSA-N	408.473	3.683	10	20	HHCD	
C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1O	756785543	VVWYJBOSLZPITO-KSSFIOAISA-N	403.320	3.997	10	20	HHCD	
Cc1cc(=O)n(CC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cn1	762201711	JJRPUJHYUAWTQC-UHFFFAOYSA-N	400.276	3.605	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@@](=O)C[C@H](C)C2)c(C)n1-c1ccccc1Br	762550029	YDQRCUPRDGAIIP-YMXBGEKHSA-N	423.376	3.697	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1	764156585	GDNCWWJWNCMKSN-RHSMWYFYSA-N	404.507	3.615	10	20	HHCD	
C[C@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccc(N2CCCCCC2)cc1	765279286	LIYBLBOAQPXXPY-FQEVSTJZSA-N	415.603	3.837	10	20	HHCD	
Cc1c([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)nnn1-c1ccccc1	765295026	CFEWAXSVTTYTDQ-SFHVURJKSA-N	405.546	3.635	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)Cc1ccc(O)cc1	765637606	IBZGRPWIVRKBOZ-GOSISDBHSA-N	418.493	3.547	10	20	HHCD	
CC(C)N1CCN(c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)CC1	768014903	BJMMQANUHJWCJL-UHFFFAOYSA-N	410.543	3.566	10	20	HHCD	
CCOc1ccc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(O)c1	768251766	JLKSIGWKHPYLIO-UHFFFAOYSA-N	408.420	3.768	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCCN1C(=O)C(C)C	769291322	MOLWWKYOSPQZKZ-INIZCTEOSA-N	411.340	3.540	10	20	HHCD	
CCS(=O)(=O)C1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	769786633	LWFVWTZZAMYTFI-UHFFFAOYSA-N	408.951	3.787	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC[C@H]2CCC[C@@H]21	769919739	FUNDQRRQKKZUSY-CJNGLKHVSA-N	406.529	3.659	10	20	HHCD	
COc1ccc2c(c1)nc(CNCc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)n2C	769936761	IKUCYAAIYFOJJG-UHFFFAOYSA-N	409.490	3.770	10	20	HHCD	
O=C(c1ccc(Br)cc1O)N(Cc1ccccc1O)C[C@@H]1CCCO1	770088134	WZFXGVCXZJBSIY-HNNXBMFYSA-N	406.276	3.682	10	20	HHCD	
CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772117803	MMPDYCIBRFKRRE-LJQANCHMSA-N	411.531	3.771	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C	773757466	SWZJEXDVGSHKOM-WEBUEUPWSA-N	406.523	3.619	10	20	HHCD	
CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O	775365542	WBKJPVWUTWBEBY-STQMWFEESA-N	420.531	3.879	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@@H](CC)c2ccc(Cl)c(Cl)c2O)CC1	775492457	OAXYKGAXNWVZPO-HNNXBMFYSA-N	409.379	3.944	10	20	HHCD	
OC[C@@H](Cc1ccccc1)NCc1cc(Br)cc(Br)c1O	775987694	WDYWBLXBSHYKDE-CQSZACIVSA-N	415.125	3.610	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nn1[C@H](C)C1CC1	776833291	PYWZHHYZEWLFFU-IXDOHACOSA-N	414.525	3.845	10	20	HHCD	
COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1	776862142	QVWLXNWEKKJHGM-CVEARBPZSA-N	409.958	3.694	10	20	HHCD	
CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	780397782	QPBCOXMAYHPBHW-IYBDPMFKSA-N	413.493	3.636	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCCCO2)C(=O)N(Cc1ccccc1O)C1CCCCC1	782897146	UVGPGPJVGJHYKF-UHFFFAOYSA-N	424.497	3.854	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)c2)CC1	784156847	DULBLLDRUWRLNS-UHFFFAOYSA-N	410.474	3.639	10	20	HHCD	
CC[C@@H](C)[C@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccccc1	786659509	LXNFGOHTOLPCJU-DVECYGJZSA-N	407.558	3.801	10	20	HHCD	
CCN(CCCN1CCCC1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	788324690	XTOKKBUYWFTUPY-SFHVURJKSA-N	424.536	3.774	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)cc1F	789436540	SHQFFWOIBNZDEP-AEGPPILISA-N	416.522	3.507	10	20	HHCD	
COc1c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cccc1[N+](=O)[O-]	793347079	MUEXPKOMTAIUQL-UHFFFAOYSA-N	421.400	3.604	10	20	HHCD	
CCOc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)N(C)C	796401709	JFHWBOQICVNTRR-UHFFFAOYSA-N	417.575	3.938	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc4[nH]ccc4c3)cc2F)C[C@@H](C)O1	799365104	UFTZLECXDAFWAE-CALCHBBNSA-N	424.520	3.963	10	20	HHCD	
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	799738553	DTDJYKPJZCZXOP-SFHVURJKSA-N	421.557	3.789	10	20	HHCD	
Cc1cc(Cl)nc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	799887178	PTEUGXWVSSPXGL-GJZGRUSLSA-N	420.916	3.796	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1	801961487	KHLAFMACADCIMX-IBGZPJMESA-N	417.575	3.839	10	20	HHCD	
CC[C@H]1CCc2nc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)sc2C1	804224244	YQUKKPXTQVDLRL-NSHDSACASA-N	405.907	3.986	10	20	HHCD	
Cc1ccccc1C1(CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	804353825	CJZZWWOHWYRCNA-UHFFFAOYSA-N	419.569	3.696	10	20	HHCD	
CC[C@H](N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)c1ccc(N(C)C)cc1	806169964	NCUZMBJZQWOAQD-FCHUYYIVSA-N	411.546	3.612	10	20	HHCD	
CCc1cc(N2CCC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)ncn1	806796685	MGOGKZNXMLPLRG-OAHLLOKOSA-N	424.332	3.520	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1OCC(F)F	807513062	RNZXRDRHGRIBBJ-UHFFFAOYSA-N	419.211	3.598	10	20	HHCD	
CCOC1CC(N(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1	809257648	SIJGSZXBTAMMLK-VBKFSLOCSA-N	424.613	3.755	10	20	HHCD	
CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1	811703707	ASJWFYSNQCIFKP-UHFFFAOYSA-N	420.531	3.600	10	20	HHCD	
COCCCN(C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C1CCN(C)CC1	811946233	VCPRAOVNYBUFMS-UHFFFAOYSA-N	401.526	3.806	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@@H](O)C12CCCC2	816630617	LLJSVWOQSMQMIO-CYBMUJFWSA-N	405.130	3.797	10	20	HHCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	843460945	DRHMPQDGNQZBGI-WTIAFYNJSA-N	402.579	3.959	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=N)N[C@@H]3CCOc4ccccc43)cc2F)C[C@@H](C)O1	849091177	XQAPYCCEXRIAAA-GQIGUUNPSA-N	412.509	3.577	10	20	HHCD	
Cc1ccc2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(=O)n2c1	914456370	YMGLADZESNWSSL-UHFFFAOYSA-N	416.481	3.505	10	20	HHCD	
COc1cccc([C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)c2nccn2C)c1	914849157	HGGIBZPSSLFADS-JOCHJYFZSA-N	415.497	3.751	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)c(C)n1-c1ccccc1	915012509	CDUBATICIRYLMC-FQEVSTJZSA-N	410.514	3.857	10	20	HHCD	
O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(O)c(O)c1	916591055	WYYVPMJWZIMXHO-UHFFFAOYSA-N	414.417	3.990	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc2c(cc1Cl)OCO2	916673417	PCZJNWAKAWQFSY-UHFFFAOYSA-N	417.893	3.599	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)s1	917902455	MXDMBPOABNRHHF-UHFFFAOYSA-N	410.502	3.901	10	20	HHCD	
Cc1c(Cl)cccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918296666	XMOQAWFCZFRXDC-INIZCTEOSA-N	402.878	3.500	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCS(=O)(=O)CC(C)C)c2C)cc1	919274192	GHXGGYRFCYEVMC-UHFFFAOYSA-N	419.543	3.589	10	20	HHCD	
O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	919970400	ZYJYPWXMTNWCEB-UHFFFAOYSA-N	403.526	3.545	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)Cc3ccc(OC)c(OC)c3)CC2)cc1	1337500624	NNMNXQOSDIMOBJ-SFHVURJKSA-N	412.530	3.630	10	20	HHCD	
Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(C)ccc4C)cc2)C3)on1	1842461707	NLQRQXVDVBZKQB-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
COc1ccc(-c2nc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)cs2)cc1	13269117	GOZILZTUHBBVBJ-ZROIWOOFSA-N	420.537	3.885	10	20	HHCD	
O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S	25682300	PGRBAEXONUWPGG-NTUHNPAUSA-N	406.466	3.609	10	20	HHCD	
COc1ccc(/C=C\C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1OC	206133868	YRRTVUBMCYLVGX-BOJAUSIRSA-N	424.541	3.991	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnn(-c3ccccc3F)c2)cc1	261388363	ONCYFDYMGKFPDI-NRFANRHFSA-N	422.504	3.899	10	20	HHCD	
CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)cc2O1	472778416	MREBCWVEHMXVBQ-QHCPKHFHSA-N	407.470	3.639	10	20	HHCD	
O=C(C[C@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cccc2nsnc12	518603052	XCBZXIJMQPOCLU-ZDUSSCGKSA-N	414.512	3.787	10	20	HHCD	
O=C(Nc1ccc(C(=O)Nc2ccnn2Cc2ccccc2F)cc1)C1=S=CC=C1	519269617	QSJJNVRYDSEFHE-UHFFFAOYSA-N	420.469	3.539	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2cnn(C)c2)c(C)n1-c1ccc(F)c(Cl)c1	726002224	RRKYEFUYTKYDIB-UHFFFAOYSA-N	403.841	3.589	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1F	727151391	CMHHGLGEPPDCHR-IBGZPJMESA-N	415.509	3.644	10	20	HHCD	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1	727249831	BTFYCOFBWCLPGI-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c1	729034836	ASYFWKWKOMXEQX-LLVKDONJSA-N	403.866	3.829	10	20	HHCD	
Cc1nc(C)c(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1	729654315	QQUGKBHCLJFZGU-UHFFFAOYSA-N	422.418	3.801	10	20	HHCD	
O=C(NCCCc1c[nH]c2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1	730823672	NYXPODSFHYSWIY-UHFFFAOYSA-N	410.493	3.576	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1[N+](=O)[O-]	731055534	XLFFRWPKGFJDPA-UHFFFAOYSA-N	411.486	3.898	10	20	HHCD	
COc1ccc(-c2nc(CN3CCN(C(=O)c4cc(O)cs4)CC3)cs2)cc1	731866465	IQDKGFDBLQNOLP-UHFFFAOYSA-N	415.540	3.544	10	20	HHCD	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	733311603	WLBCQCYSYFNHMM-JKSUJKDBSA-N	402.520	3.794	10	20	HHCD	
Cc1sc2nc(CCC(=O)NCCCSc3nccs3)nc(O)c2c1C	733883897	GYYAAYOLERAWOQ-UHFFFAOYSA-N	408.574	3.701	10	20	HHCD	
CCN(C(C)=O)c1nc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cs1	734509365	HOVSWWNHUOEKKF-QGZVFWFLSA-N	422.982	3.629	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1C	734649312	CLOZRCVDRINRIF-UHFFFAOYSA-N	418.563	3.843	10	20	HHCD	
O=C([C@H]1COc2ccc(Cl)cc2C1)N(Cc1ccccc1O)C[C@H]1CCCO1	735517075	HDUWMCXMKLQCLV-IEBWSBKVSA-N	401.890	3.805	10	20	HHCD	
Cc1ccc(Nc2cccc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2)nn1	736072310	GKWUEBLPKKHAOT-GOSISDBHSA-N	417.513	3.856	10	20	HHCD	
O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(N2CCCS2(=O)=O)cc1	740801353	YVDLOYYBDOSKCC-UHFFFAOYSA-N	413.543	3.859	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2OCC2CC2)cc1	741095792	RDBQTJIPUYZTNC-UHFFFAOYSA-N	409.530	3.919	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)c[nH]2)NC(=O)OC(C)(C)C)cc1	742751702	VYQYNYMZFJMRJQ-KRWDZBQOSA-N	406.914	3.730	10	20	HHCD	
O=C(CSC[C@H]1CCCCO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805561	LQBMQCWSHWSDDZ-MAUKXSAKSA-N	414.518	3.675	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Cc3coc4cc(C)c(C)cc34)CC2)cc1	742920295	ISUHXQISSUVHIF-UHFFFAOYSA-N	421.541	3.539	10	20	HHCD	
Cc1nc(-c2cnn(C)c2)sc1C(=O)N(Cc1ccco1)Cc1ccccc1O	743428596	DONXAVWGOGRMPJ-UHFFFAOYSA-N	408.483	3.993	10	20	HHCD	
COCc1ccccc1CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743530648	ZFKRWBBMFLBLMX-GOSISDBHSA-N	419.472	3.903	10	20	HHCD	
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c1	743537763	NYVMTVPNBPEBEE-MRXNPFEDSA-N	409.530	3.799	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCCn1nc(C)cc1C	745271743	IVYQVIGFJQNXGU-UHFFFAOYSA-N	409.328	3.590	10	20	HHCD	
Cc1nc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc2)n[nH]1	746018744	LGRUNCFDSFMTIU-QFIPXVFZSA-N	419.529	3.668	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3cc4ccccc4[nH]3)cc2F)C[C@H](C)O1	746724532	NDIUREHVHHVPOR-HOTGVXAUSA-N	410.493	3.920	10	20	HHCD	
Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1ccccc1O	748345059	GMNDTBKDIOVGBB-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](O)c1c(F)cccc1Cl	752916827	SGVIQLYXVFXODR-ZUOKHONESA-N	405.901	3.783	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(OCc2cn3ccccc3n2)c1	753645108	SPGOLORFXUOGKQ-INIZCTEOSA-N	417.465	3.686	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](c3ccccc3)C(F)(F)F)CC2)cc1F	753930486	ODJKGRBRUIGLHJ-GOSISDBHSA-N	411.399	3.970	10	20	HHCD	
CC1(C)C[C@@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1	754229145	MFFFULVXNDORHS-WZMONFQBSA-N	424.613	3.803	10	20	HHCD	
CC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1	754500520	XFQHIBDYWDTVDM-CQSZACIVSA-N	400.470	3.585	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1	756080837	SZEIQGNKIYAZLQ-UHFFFAOYSA-N	422.554	3.835	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)c3ccc(N4CCOCC4)nc3)c2C)c1	756314209	ASCZYEOGJACIHP-UHFFFAOYSA-N	404.514	3.911	10	20	HHCD	
COc1cc([C@H](C)N[C@H](C)c2cc(Br)ccc2O)ccc1OCCO	756460786	SXCNVCAQBJYRHJ-QWHCGFSZSA-N	410.308	3.946	10	20	HHCD	
CCc1nc(CN2CCC(CN[C@@H](C)c3cc([N+](=O)[O-])ccc3O)CC2)cs1	756569252	MLECSSHQBDEXHU-AWEZNQCLSA-N	404.536	3.882	10	20	HHCD	
COc1ccc(N[C@H](C)c2cc(Br)cc(F)c2O)cc1-n1nnnc1C	757599091	XCRNZGSVYMKOBA-SECBINFHSA-N	422.258	3.760	10	20	HHCD	
CCC[C@@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	758311970	ABWNECGSTGUVBB-CQSZACIVSA-N	408.545	3.907	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c2ccccc12	758651296	MKPVZOXIXPEXAH-UHFFFAOYSA-N	407.470	3.779	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c(O[C@@H]2CCOC2)c1	758694898	ODCIALWNPRNWIF-JOCHJYFZSA-N	409.530	3.762	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCN(C/C=C\c2ccccc2)CC1	759590160	MMFQQPIPWAGAAC-YWEYNIOJSA-N	402.589	3.666	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC)c(OC(C)C)c1	761062782	ZTLAOAYQJJAAGU-UHFFFAOYSA-N	413.518	3.536	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C1	761627638	RSUOHKOIYGGCIB-HZPDHXFCSA-N	411.502	3.580	10	20	HHCD	
CCCNC(=O)CSc1nn(CN2CCCc3cc(OC)ccc32)c(=S)s1	766341735	OGKFRMBUXOXNSW-UHFFFAOYSA-N	424.617	3.711	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnn(Cc2ccccc2)c1	768916318	PAINPUMDSAOSMC-OAQYLSRUSA-N	424.932	3.685	10	20	HHCD	
CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(N2CCCCC2)cc1	769124453	KYCXEUASDJDATK-UHFFFAOYSA-N	416.587	3.981	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1C	771067195	SDZLHGPECBABGW-IBGZPJMESA-N	415.921	3.707	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)c2)CC1	771638026	WTYZGPYBSOOHFA-UHFFFAOYSA-N	416.529	3.743	10	20	HHCD	
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	772701646	QJYWPLNZRWRUEE-ICSRJNTNSA-N	409.548	3.589	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1	772826378	DKOMJKKEDABXGL-FQEVSTJZSA-N	408.464	3.830	10	20	HHCD	
COc1cc(/C=C(\C(=O)NCc2cccc(OC)c2O)c2ccccc2)ccc1O	773407362	KTCIYELXYPECQA-UYRXBGFRSA-N	405.450	3.972	10	20	HHCD	
C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc(N(C)C)cc1	773993879	KCUAMZZVEOKCCI-CYBMUJFWSA-N	400.479	3.911	10	20	HHCD	
COC(=O)[C@@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1	775172309	APCVENQGZWXYKE-KYLNKMBASA-N	410.253	3.622	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(F)cc1Cl	775631343	GEEIOZGVRMQGQS-KRWDZBQOSA-N	402.249	3.547	10	20	HHCD	
Cc1ccc(C2=NN(C(=O)COC(=O)c3cccc(O)c3O)[C@@H](c3ccco3)C2)cc1	776284400	YBARWLDXISLMLI-GOSISDBHSA-N	420.421	3.534	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)OCO4)sc2C)cc1	778079257	WRRXPODEGGXTHG-UHFFFAOYSA-N	404.469	3.657	10	20	HHCD	
CCn1nc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1C	783485771	KTUWRRJTOSXLME-MRXNPFEDSA-N	405.502	3.835	10	20	HHCD	
O=C(Nc1ccc(-c2ccc[nH]2)cc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	784644317	WCZOCBBMQDRIJD-HXUWFJFHSA-N	419.481	3.534	10	20	HHCD	
CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	785599169	PJEIFLLLPLQOHC-MRXNPFEDSA-N	417.456	3.954	10	20	HHCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC2(CCOCC2)O1	790994019	PKHRFWDIBCTJAR-QGZVFWFLSA-N	422.485	3.837	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])c1Br	795260350	MPNPSTDHVJYLNU-OAHLLOKOSA-N	418.244	3.670	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cc3c(cc2C)OCO3)n1	795605669	IFAROZBQLNVFQI-UHFFFAOYSA-N	418.496	3.965	10	20	HHCD	
CCn1ccnc1[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC)cc2)CC1	797445425	YTORJMDERWPOGM-OAQYLSRUSA-N	411.550	3.817	10	20	HHCD	
COC(=O)c1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1OC(C)C	799246540	ICBGPQFHZADHRI-UHFFFAOYSA-N	409.486	3.958	10	20	HHCD	
Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	802569688	ZBDCQINYCPTFRJ-UHFFFAOYSA-N	422.451	3.851	10	20	HHCD	
CSCC[C@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803678606	FWABMQYVUKIKPY-KRWDZBQOSA-N	405.608	3.672	10	20	HHCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@@H](C)S1(=O)=O	805013188	ZTCJJRQFTZATQY-DYESRHJHSA-N	421.607	3.563	10	20	HHCD	
COC(=O)CCOc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	806245646	MIRKAHAQDDAIHU-UHFFFAOYSA-N	413.257	3.963	10	20	HHCD	
O=C(CSc1ccc2c(c1)OCCO2)NCc1cc(Cl)cc(Cl)c1O	807837497	RZSXTTUYRFOYGP-UHFFFAOYSA-N	400.283	3.879	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)c1	808051768	HPFJFKSWDBJGSP-UHFFFAOYSA-N	416.529	3.675	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)C2CC2)cc1	809195428	JNOZHKZAQLFPEE-PZJWPPBQSA-N	423.532	3.835	10	20	HHCD	
CC(C)(CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)[C@H]1CCCCO1	809423410	GAXVKEDWIYJLLH-OAQYLSRUSA-N	416.562	3.765	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CC1	820006057	ICODBFAALAYIHR-UHFFFAOYSA-N	421.501	3.982	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@H](c2ccccc2)N2CCOCC2)ccc1N1CCCCC1	913170418	ZRYRHJCCJSFRDS-XMMPIXPASA-N	424.545	3.748	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccn1	914847665	DPNPBBFOPQWFAN-MRXNPFEDSA-N	411.527	3.726	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)c(C)n1-c1ccccn1	916096625	PVGWCRLODZKMMN-FLIBITNWSA-N	400.526	3.960	10	20	HHCD	
O=C1CCCc2cc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)ccc2N1	917845728	FGRZDWQANALXPE-UHFFFAOYSA-N	405.526	3.947	10	20	HHCD	
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)ccc21	917898426	XMECYJPHQSEPFN-UHFFFAOYSA-N	403.485	3.503	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OC)cc1	918186572	FEAHAFLPQLEBFJ-OAQYLSRUSA-N	415.509	3.746	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	918202379	MSPGDEGZXNWPFO-IPMKNSEASA-N	403.542	3.945	10	20	HHCD	
Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919968136	APMJLWFFVUYMLH-UHFFFAOYSA-N	402.922	3.552	10	20	HHCD	
COc1ccc2cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c(C)nc2c1	919968892	OYBPBSJNPICVEM-UHFFFAOYSA-N	419.525	3.691	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C(N)=O)cc4)C3=O)cc2)cn1	1256381556	GUFKXRHXKKLUCL-ZDLGFXPLSA-N	420.519	3.592	10	20	HHCD	
COC(=O)[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccccc1	1318335002	OQCYLYXKMDZPFL-DEOSSOPVSA-N	406.482	3.921	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nnc(C)n4c3)c2C)cc1F	110434092	RRRCFTWZIZTXID-UHFFFAOYSA-N	420.444	3.932	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Cn3ccnc3)cc2)cc1	116581871	VTIWOGUTXPMGAQ-XMMPIXPASA-N	418.541	3.819	10	20	HHCD	
CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccc3c(c2)CCO3)CC1	237100653	UPTDJFLPLHDMKE-UHFFFAOYSA-N	405.464	3.682	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1F	303012493	REEBRDQHYZKVTN-UHFFFAOYSA-N	400.454	3.720	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)n(C)c2ccccc12	471177998	MFXSMFAOHBHYJN-OAQYLSRUSA-N	406.486	3.926	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCc4cn(C(C)C)nc4C3)ccc21	481894836	PNELHMIXZODQJA-FQEVSTJZSA-N	408.546	3.969	10	20	HHCD	
CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)NCc2ccccc2O)c1	728395815	YUNMKAGMHCVEDU-UHFFFAOYSA-N	401.463	3.617	10	20	HHCD	
CCN(Cc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(OC)c(OC)c1	728916575	LDEKTVDDYADEPO-UHFFFAOYSA-N	405.458	3.565	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccc(OC)cc3Cl)cc2F)CC1	730969910	RIRLQEJSEMZOHE-UHFFFAOYSA-N	405.901	3.560	10	20	HHCD	
CC[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C[C@H](C)O1	732149919	RHWLMSFTFGHMRL-IYFMVNHVSA-N	424.613	3.755	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccccc3-n3ccc(C(N)=O)n3)c2C)c1	733885796	UENOTISKKMWODU-UHFFFAOYSA-N	413.481	3.939	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccccc1OCc1cccc(Cl)c1	737166386	GNFQCPNAKXOXEY-UHFFFAOYSA-N	410.857	3.880	10	20	HHCD	
CCN(C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(F)cc1	738300041	SQMUOFPJOSGEBV-IBGZPJMESA-N	413.537	3.704	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(N2CCC(C)CC2)c1	740609042	ASLXVBRLKATOGJ-UHFFFAOYSA-N	406.479	3.649	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)cc1	741895302	QSYGOAYPIGEETA-QHCPKHFHSA-N	413.537	3.704	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)cc1	741906403	KSNXVFXUTITUGU-UHFFFAOYSA-N	407.470	3.889	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN1C(=O)Cc1ccccc1	742468302	BJPGGJJGKUDZBY-HSZRJFAPSA-N	405.542	3.527	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1	742566083	SSXCBFNLRLLGMO-IBGZPJMESA-N	417.550	3.524	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cc2)nn1	743196054	MSCYXNSCTPCCEE-UHFFFAOYSA-N	419.485	3.736	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1Cn1cccn1	746161852	JDFGIGDEMHHFJZ-UHFFFAOYSA-N	415.541	3.716	10	20	HHCD	
CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1	746172515	LZGIJFXOBLGUGZ-UHFFFAOYSA-N	404.507	3.540	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1F	746804079	RCFKVYZOHMLALS-FQEVSTJZSA-N	419.909	3.790	10	20	HHCD	
CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	748376945	LGYGHMMEQLBSAU-OAQYLSRUSA-N	410.514	3.920	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2nc(-c3ccco3)no2)cc1	751405274	KLBSGUVKOPLFKB-LJQANCHMSA-N	424.501	3.536	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](O)c1c(F)cccc1F	752909361	KCTUNMSZHPIANQ-GHTZIAJQSA-N	403.473	3.659	10	20	HHCD	
O=S(=O)(Cc1ccc(F)c(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	755951439	IXKKSUWZHBKDQM-MRXNPFEDSA-N	413.898	3.696	10	20	HHCD	
C[C@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1cc2c(cc1O)CCCC2	756548683	BYXLUTPFLIYCER-FDDCHVKYSA-N	421.585	3.819	10	20	HHCD	
C[C@@H](NCCCN1C(=O)COc2ccccc21)c1cc(Br)ccc1O	756734030	UXHNVXZLAAPTAH-CYBMUJFWSA-N	405.292	3.621	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3cc4c(cc3O)CCCC4)C2=O)c1	756736046	KXKWLAAGYVUDNW-QRQCRPRQSA-N	410.514	3.744	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCc2ccc(Br)cc2N2CCOCC2)c1	756758599	IJEBFGNZHZOBGJ-AWEZNQCLSA-N	421.335	3.851	10	20	HHCD	
O=C(COC(=O)C[C@H]1C=CS(=O)(=O)C1)Nc1ccc(N=Nc2ccccc2)cc1	756825845	ZGGUUHQTBNQOBC-OAHLLOKOSA-N	413.455	3.532	10	20	HHCD	
COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1	758161469	FVLTWZFJHZVCLA-UHFFFAOYSA-N	410.662	3.940	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1	759329406	WMRPJZAEPLIUEW-OAQYLSRUSA-N	413.587	3.931	10	20	HHCD	
COc1ccc(OC2CCN(C(=O)NCCCSc3nccs3)CC2)cc1	759585911	KVMJVJNLJJVWOG-UHFFFAOYSA-N	407.561	3.887	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	760420503	HCWVUGBTEFNZND-KDOFPFPSSA-N	408.539	3.509	10	20	HHCD	
COc1c(F)cc(F)cc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	761035117	VFFNTDCTUOOFDB-UHFFFAOYSA-N	417.456	3.561	10	20	HHCD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	763009744	LWBILBUUJKMIQJ-HCLVMJGWSA-N	420.557	3.511	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cccc2nonc12	765052623	HWEHWAYHXHHRMJ-UHFFFAOYSA-N	408.439	3.584	10	20	HHCD	
C[C@@H](NCc1cn2cc(Br)ccc2n1)c1ccc(N2CCOCC2)cc1	765258406	LIBZJWNOOXEYBE-OAHLLOKOSA-N	415.335	3.784	10	20	HHCD	
C[C@@H](NCCN1CCc2sccc2C1)c1ccc(N2CCOCC2)cc1Cl	765281102	QBDKXAKQOIJOQT-MRXNPFEDSA-N	405.995	3.947	10	20	HHCD	
CCCCCNC(=O)C1CCN(Cc2cc(Br)cc(OC)c2O)CC1	768310599	CZVRXBKTDPDJHU-UHFFFAOYSA-N	413.356	3.682	10	20	HHCD	
CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769388146	QTRREUMIAQHHBT-IBGZPJMESA-N	416.566	3.959	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)NCc2c(O)ccc3c2CCCC3)cc1C	769563365	GIRULQPELRIJNE-UHFFFAOYSA-N	422.554	3.877	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1	772149562	QBLXWUIAOLBNLQ-OALUTQOASA-N	410.562	3.812	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3c(C)cccc3OC)cc2F)CC1	772500850	XMVGUDYPCABFMG-UHFFFAOYSA-N	400.498	3.606	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nc2cccnc2s1	773602758	PHEKPAFIGAVCBN-UHFFFAOYSA-N	404.442	3.692	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCCC1=CCCCC1	774687705	OTVXACCNSCECCD-UHFFFAOYSA-N	409.324	3.510	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c1O	774912672	KCCTULYBSCQAAJ-UHFFFAOYSA-N	409.483	3.577	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(OC)ccc(SC)c3OC)CC2)cc1F	775769774	GUFGVCXAAUCQRT-UHFFFAOYSA-N	420.506	3.536	10	20	HHCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)nc(C(F)(F)F)n1	778633033	YNXWKDWCCVVKJP-KRWDZBQOSA-N	422.451	3.691	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccccc2CS(C)(=O)=O)c1O	779028166	ZXQJHNJXJZCNGS-CYBMUJFWSA-N	412.349	3.859	10	20	HHCD	
COc1cc(NC(=O)c2ccc(C)c(O)c2O)c(OC)cc1NC(=O)c1ccccc1	780852934	ABVIDTGIHBSJRO-UHFFFAOYSA-N	422.437	3.928	10	20	HHCD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCc1ccc(N(C)C)c(F)c1	782258321	WBGBIEHJNNTVJL-UHFFFAOYSA-N	408.499	3.934	10	20	HHCD	
COC(=O)CCc1csc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1	782792346	GOWLVQYBKSMBNI-UHFFFAOYSA-N	404.536	3.757	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4cccc(Cl)c4o3)cc2)CC1	786254142	BCNRYGYAEIQATH-UHFFFAOYSA-N	411.889	3.685	10	20	HHCD	
CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	789744226	PKJLRUCYEAHGMF-OAHLLOKOSA-N	409.490	3.606	10	20	HHCD	
CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1	790045740	QYGNTAAIOVHNME-UHFFFAOYSA-N	402.925	3.636	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1ccc(C)c(OC)c1	791248001	KSLVKMUCPSTGRD-UHFFFAOYSA-N	412.530	3.935	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccnn3-c3ccccc3OC)SC2=S)cn1	797399761	ZWPZVDZZHGVKDQ-GZTJUZNOSA-N	424.507	3.690	10	20	HHCD	
Cc1cc([C@H](C)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)nn1C	800488126	OMSXWXKLKIGRHK-JXFKEZNVSA-N	401.555	3.711	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)COCc3cccnc3)c2C)cc1F	805645030	VARYFMQMNZWCLI-UHFFFAOYSA-N	410.445	3.879	10	20	HHCD	
CS(=O)(=O)CCc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	806363173	XBHZTFJFWRHWBF-UHFFFAOYSA-N	417.314	3.608	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N=c3ccnc4n(C)[nH]cc3-4)cc2Cl)C1	806487023	NRFDCNGALBZRTB-AWEZNQCLSA-N	412.925	3.553	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)oc2ccccc12	806831770	FEXVATHTLCDLBJ-UHFFFAOYSA-N	418.449	3.885	10	20	HHCD	
CSCc1cccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	807743272	QQOOLWQUYADAJL-UHFFFAOYSA-N	424.522	3.693	10	20	HHCD	
COc1cccc(-c2nnc(SCC(=O)C(C)=O)n2-c2ccc(Cl)cc2)c1	808011571	YXPVURNSSYCLNP-UHFFFAOYSA-N	401.875	3.847	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)CCCC2=O	815834944	GBBBXBCJCMUJLA-LJQANCHMSA-N	412.917	3.959	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1	914759235	URCUKEGDIOHKIK-UHFFFAOYSA-N	419.441	3.973	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccc(F)c3)cc2)C1	918123506	XWGMKOADFJHWNT-KNQAVFIVSA-N	424.520	3.574	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCC3CCCC3)cc2F)C[C@@H](C)O1	918858015	BTSOXJDHPSVCAN-CALCHBBNSA-N	420.525	3.569	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	1324627300	PRUZOVPIPSFDKO-UHFFFAOYSA-N	423.391	3.975	10	20	HHCD	
Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	7731914	RDQDZDRXGRFHFL-UHFFFAOYSA-N	407.470	3.531	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1	40945620	LXDSQPRBSWFEDL-UHFFFAOYSA-N	405.457	3.918	10	20	HHCD	
O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1CCCN1CCOCC1	96930814	DVSTYNRLVLETBT-NTCAYCPXSA-N	416.490	3.629	10	20	HHCD	
COc1ccc([C@H](CNCc2ccc(N3CCOCC3)cc2)N2CCCCC2)cc1	237355989	JCRFAHURMNCZND-VWLOTQADSA-N	409.574	3.849	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCNC(=O)CC3CCCCC3)ccc21	483523509	IMVREQHMDYRJGZ-UHFFFAOYSA-N	413.562	3.721	10	20	HHCD	
COC(=O)c1ccc(OC(C)C)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1	541094712	SUBNAEHMJOGMTD-UHFFFAOYSA-N	413.474	3.757	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2)SC1=S	727176947	UGXYQJXTXNWTFM-ZDLGFXPLSA-N	414.600	3.720	10	20	HHCD	
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C/c1ccc(N2CCOCC2)c(F)c1	727264368	PPEKFCPBHQAXNT-QPEQYQDCSA-N	403.797	3.717	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)CCCC(=O)N4)CC2)cc1	728693605	BCBICMWJZQNMFB-UHFFFAOYSA-N	408.502	3.761	10	20	HHCD	
CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	728975766	MYUJPEVVOGUTEO-CYBMUJFWSA-N	408.545	3.755	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4ccc(C)cc43)cc2F)CC1	730132953	YMEXADTYTBDPEW-JOCHJYFZSA-N	410.537	3.763	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3cccc(O)c3)cc2F)CC1	731545026	UBFCMEUFYJCVRU-KRWDZBQOSA-N	414.525	3.576	10	20	HHCD	
CCc1ccc2c(CN(CC(=O)OC)Cc3cc(Cl)ccc3O)cc(=O)oc2c1	731844596	GIYASGAPGNHJTI-UHFFFAOYSA-N	415.873	3.890	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CC2)cc1	731977364	JPCKXIUJPHSGAX-UHFFFAOYSA-N	408.542	3.791	10	20	HHCD	
CN(Cc1nnc2ccccn12)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	734272643	GYGXDYYVBUPSRC-UHFFFAOYSA-N	406.534	3.840	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1	734687032	CTAMGRJFSRQENL-IRXDYDNUSA-N	404.555	3.600	10	20	HHCD	
Cn1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C2CCCCC2)n1	736196226	PHABFMVCYLPSNX-UHFFFAOYSA-N	410.562	3.607	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1)C1CCCCC1	742416557	CFQSSYBLHPJMIR-UHFFFAOYSA-N	415.559	3.757	10	20	HHCD	
CC(C)N1CCC[C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745805147	XYHDXSMQOJMJGI-ROUUACIJSA-N	424.536	3.676	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)Cc1c(C)noc1C	745833891	GBYNSJVZXDPGNS-NSHDSACASA-N	410.312	3.922	10	20	HHCD	
CC(C)(C)c1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	746222275	AHWZZCRXUXICRN-FQEVSTJZSA-N	422.573	3.685	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)CCNC(=O)NCc1ccc(N(C)C)cc1C	747582753	FTFJJIZAZGEOPN-UHFFFAOYSA-N	418.925	3.551	10	20	HHCD	
O=S(=O)(/C=C/c1ccccc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1	751229117	UBZINYPVLAPNJC-FMIVXFBMSA-N	424.925	3.531	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]21	753587914	FJLKBGUZAJUSNN-ILWGZMRPSA-N	415.578	3.648	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cnn(CCC(C)C)c2C(C)C)c1	753829628	UDQKXYQMXFYQPZ-OAHLLOKOSA-N	416.522	3.583	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(N(C)C)c(Cl)c3)CC2)cc1F	753883963	IARHNQZRMGHLLI-UHFFFAOYSA-N	406.889	3.908	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)Cc2cn[nH]c2)sc(C)c1-c1ccccc1	754657819	GNSLERHKCFBUIQ-UHFFFAOYSA-N	412.515	3.694	10	20	HHCD	
C[C@H](NC(=O)Nc1cnn(-c2ccccc2F)c1)c1ccc(N2CCOCC2)cc1	755837425	PEHURXZLBKNBJE-INIZCTEOSA-N	409.465	3.731	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Br)ccc1O	756544839	WDQMYYMLFVSNPP-ZYHUDNBSSA-N	402.235	3.523	10	20	HHCD	
COCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(N=Nc3ccccc3)cc1)CC2	757776636	OTFXMKABZVPCIM-SFHVURJKSA-N	405.462	3.976	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C/c3cc4c(cc3OC)OCO4)SC2=S)c1	758818671	HUAUNTFHNYBARZ-IDUWFGFVSA-N	401.465	3.838	10	20	HHCD	
COc1cc(N2CCN(Cc3ccccc3Br)CC2)cc(OC)c1OC	759885243	BLGMIIXDVNKUIH-UHFFFAOYSA-N	421.335	3.797	10	20	HHCD	
C[C@@H](NC[C@@H](CO)Cc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O	760033439	JPYVWMAMVLWTDZ-OCCSQVGLSA-N	409.280	3.565	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3ccc(Cl)nc3)cc2F)C[C@@H](C)O1	760744094	PZEOHFNKDDDMAM-HUUCEWRRSA-N	420.916	3.530	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H](O)c1ccc(Cl)c(F)c1	762553387	QTGZJYTVGWYZPC-LJQANCHMSA-N	423.941	3.565	10	20	HHCD	
O=C(COc1ccc(N2CCCC2)cc1)NCCc1ccc(OC(F)(F)F)cc1	762771563	JMZSZFGGBGILAS-UHFFFAOYSA-N	408.420	3.923	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1	762971404	MBNDJKKUHHGQPZ-UHFFFAOYSA-N	405.454	3.653	10	20	HHCD	
COc1cccc(CNC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O	764322705	VDPBIQHLMOOAPM-WBVHZDCISA-N	406.523	3.690	10	20	HHCD	
Cc1cc(C(=O)NC2(c3ncon3)CCOCC2)c(C)n1-c1ccc(Cl)cc1	764367783	MDTNZRODWHSLIC-UHFFFAOYSA-N	400.866	3.566	10	20	HHCD	
COc1ccccc1SCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	764854928	KIIURCUHNQAMFH-QGZVFWFLSA-N	420.962	3.927	10	20	HHCD	
O=C(COc1ccccc1Br)NCc1cccc(Br)c1O	765767865	FFRBDNRPNZBRQR-UHFFFAOYSA-N	415.081	3.612	10	20	HHCD	
C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(-n2cnnn2)cc1	766238720	XUFOHFIZIPCSBV-RDJZCZTQSA-N	414.460	3.583	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1	768898766	CCONADDPKQLOGQ-UHFFFAOYSA-N	424.457	3.519	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3cn(C)c4ccccc34)cc2F)CC1	772039013	ZOMVTQUCPSKLOL-SFHVURJKSA-N	422.548	3.879	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	773756587	KCVUKENYGSJZJJ-HNNXBMFYSA-N	421.453	3.979	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)Cc3ccc(OCC(=O)O)cc3)c2C)cc1	774063128	RAGGAFBPLOGEMD-UHFFFAOYSA-N	422.481	3.838	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(C)n1-c1ccc(C(C)C)cc1	775210530	GMIFEUXGHIHHKO-UNMCSNQZSA-N	411.546	3.583	10	20	HHCD	
Cc1nn2cc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)cnc2c1Cl	776081783	BJCVWSPQGFRNME-UHFFFAOYSA-N	419.919	3.924	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)[C@H]1Oc1ccccc1	776161356	MUONEVWGHOEXPL-GVDBMIGSSA-N	407.561	3.550	10	20	HHCD	
COC[C@@H](NCc1cc(Br)cc(Br)c1O)c1ccco1	776229733	BZHLGADVMDVNGD-GFCCVEGCSA-N	405.086	3.988	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	779017037	JQIYMQXSHFASLE-PKOBYXMFSA-N	418.534	3.547	10	20	HHCD	
CCOC(=O)[C@@H](NCc1cc(C)ccc1O)c1ccc(OC)c(Br)c1	779178005	JGZCQELUSZXEQL-SFHVURJKSA-N	408.292	3.866	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1	779511318	USEXVHXICFCXHY-QBHRLEKLSA-N	416.518	3.892	10	20	HHCD	
COCCO[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1	781699917	KDRHRZQVBZDPMA-GOSISDBHSA-N	421.335	3.734	10	20	HHCD	
Cc1ccc2c(c1)N(C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)CC2	782423759	KBBNJAKHWDWFJF-UHFFFAOYSA-N	417.509	3.772	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1F	782656878	VOVHYYMDWSKKAN-HOTGVXAUSA-N	408.518	3.527	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O	782789902	NULVLWHEKCMKGX-UHFFFAOYSA-N	421.538	3.879	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c[nH]1	783693083	IPBLDKQWPPNRKD-NTUHNPAUSA-N	423.313	3.970	10	20	HHCD	
COc1cc(O)c(CN2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1OC	784034716	WVUFUMGTYKTOOA-BHYGNILZSA-N	406.523	3.535	10	20	HHCD	
COC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1	786797060	QVUDPBURBFYWJV-GHTZIAJQSA-N	401.938	3.519	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc3ncsc3c2)cc1	788953047	YJNSQGGCUGXPCU-OAHLLOKOSA-N	410.543	3.636	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	790416436	ZDDNSOPXVKGBGE-UHFFFAOYSA-N	410.561	3.522	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(N2CCCCCC2)cc1	790757044	IXZOJYRUXPDKED-IBGZPJMESA-N	416.587	3.684	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C)cc2c[nH]nc12	791249531	HPLAVNHZLRJWPJ-UHFFFAOYSA-N	408.502	3.874	10	20	HHCD	
CCC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](O)c1ccccc1	792035596	MAGGCCYWDMJHOE-VXKWHMMOSA-N	413.587	3.941	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)nc3ccc(Br)cn23)c1	793687711	AJNWSSVRKANGTQ-SNVBAGLBSA-N	404.264	3.610	10	20	HHCD	
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	795113285	ZWSKAFHMXNEQQH-UHFFFAOYSA-N	420.487	3.833	10	20	HHCD	
OC[C@@H](C[C@@H](O)c1ccccc1)NCc1ccc2c(c1)CCN2Cc1ccccc1	796338830	PZWVKHJBFBYHJM-AOYPEHQESA-N	402.538	3.824	10	20	HHCD	
CC(=O)NC1CCC(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	799913218	HPUGLKBAYRLGNL-VNCLNFNDSA-N	420.985	3.823	10	20	HHCD	
COCCOC[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	799992975	BKWZXQHJEOXTMA-MJGOQNOKSA-N	423.985	3.771	10	20	HHCD	
COc1ccc(C2=NO[C@H](CNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2)cc1	802363808	ORRWUTJRBSIIJZ-QFIPXVFZSA-N	422.529	3.628	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1	802609923	MNERJPDQUVKBEM-UHFFFAOYSA-N	411.502	3.754	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)cc(OC)c1OC	803106058	UGLXNDKRJXYBCM-YZGWKJHDSA-N	416.562	3.968	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCc1cccc(C(F)(F)F)c1	803170138	TYTIWNVXDBDGCO-UHFFFAOYSA-N	422.447	3.899	10	20	HHCD	
Cc1nc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n[nH]1	804814424	UVSLJPGVMSXWIC-NSHDSACASA-N	402.296	3.774	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1cc(Cl)cc(Cl)c1O	804984804	NVFUQFLQKFLMQT-UHFFFAOYSA-N	410.301	3.547	10	20	HHCD	
CS[C@@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1	807202408	CUFUVHGAIULEMQ-IEBWSBKVSA-N	404.576	3.844	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@H](c3ccccc3C)N(C)C)CC2)cc1	807407119	KAXFUOVNNBYZOP-GBXCKJPGSA-N	424.589	3.917	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1	807505780	OJZYCUFBQXEIKS-QGZVFWFLSA-N	419.485	3.511	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1	807651445	ZEYZUAFWXGGSDQ-QHAWAJNXSA-N	423.557	3.959	10	20	HHCD	
O=C(CNC(=O)Cc1cccc2ccccc12)NCc1cc(Cl)cc(Cl)c1O	807833936	HPUDMHGWHYNPSF-UHFFFAOYSA-N	417.292	3.827	10	20	HHCD	
Cc1ccccc1-n1cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nn1	808382395	YFKWAKJDYOVQGM-QZTJIDSGSA-N	409.509	3.618	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc(O)ccc2Cl)c1	810347599	IMGOMTCYGGPHRB-UHFFFAOYSA-N	409.873	3.790	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(-c3nc(-c4c(O)nc(=O)n(C)c4C)no3)c2C)c1	904904728	PBGKGEPKQWQTHQ-UHFFFAOYSA-N	405.458	3.536	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCOC[C@H]3CCCO3)c2C)cc1F	915540567	AVHMMQCZNLMHQJ-LJQANCHMSA-N	417.477	3.853	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)cc3)cc2F)C[C@H](C)O1	917999005	UIBILPFGDOWREW-HOTGVXAUSA-N	403.473	3.620	10	20	HHCD	
CCCCC1CCC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1	918337580	AVAWCCMFNFGOLL-UHFFFAOYSA-N	406.592	3.534	10	20	HHCD	
Cc1nn(C(F)F)c(C)c1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	920878307	DUSDWZJNCNJWEU-BETUJISGSA-N	424.467	3.507	10	20	HHCD	
CSc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	920881535	PAYNYUQKGMXLJY-CQSZACIVSA-N	401.488	3.644	10	20	HHCD	
CCC(CC)(CNCc1ccc(N2CCN(C)CC2)c(F)c1)NC(=O)OC(C)(C)C	1252308300	DHVOMXVOFRICSM-UHFFFAOYSA-N	422.589	3.751	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ccccc3NS(C)(=O)=O)c2C)c1	1317941556	AOELTSWEKMBWPI-UHFFFAOYSA-N	411.527	3.704	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2)cc1F	1319092983	MLYMSKWTCSFBMX-ZDUSSCGKSA-N	404.511	3.770	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@H]3c3cccc(Cl)c3)nc12	1319311853	BKNKBCMNSQXCJF-QGZVFWFLSA-N	400.866	3.602	10	20	HHCD	
COc1ccc(Br)c(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c1	1322610307	DFBMNQKJGIIRGP-UHFFFAOYSA-N	422.342	3.638	10	20	HHCD	
C[C@@H]1CCCN(C(=O)CCNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	1351521155	QPGTZCHBDICZRR-LJQANCHMSA-N	414.594	3.903	10	20	HHCD	
COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC	51283582	BUOMETSLDMYCRL-NRFANRHFSA-N	411.546	3.565	10	20	HHCD	
O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	71797640	QVIGWJMQQLGHRW-GOSISDBHSA-N	404.304	3.905	10	20	HHCD	
Cc1ccc(-n2nc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)cc2C)cc1	472807591	RZWDDICBSFARIP-UHFFFAOYSA-N	415.497	3.544	10	20	HHCD	
Cc1cc(-c2nc(-c3ccccc3N(C)C)no2)ccc1NC(=O)C1=S=CC=C1	545563134	QCIVPIZAKQNFII-UHFFFAOYSA-N	404.495	3.994	10	20	HHCD	
CSc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cn1	727094187	CUIZSFIZKMEWDX-UHFFFAOYSA-N	419.418	3.739	10	20	HHCD	
Cn1nccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1	727245705	FVCZUPLTTNMRFI-UHFFFAOYSA-N	424.507	3.575	10	20	HHCD	
CCOc1cc(C(=O)NCc2cccc(OC)c2O)ccc1OCc1cccnc1	727762234	GGCRTPYEPREUGW-UHFFFAOYSA-N	408.454	3.704	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)NC3CCCCC3)ccc21	728637626	OGAHLNCRSIYWPN-KRWDZBQOSA-N	400.519	3.899	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2)CC1	731106115	SNTRPTYQZJTXFF-MRXNPFEDSA-N	408.502	3.964	10	20	HHCD	
O=C(COC(=O)c1cc(O)cs1)Nc1ccc(NC(=O)c2cccs2)cc1	732354440	MEZCJNLCQCIQNN-UHFFFAOYSA-N	402.453	3.563	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c1	734069721	NGRHOZZABGXIKY-LJQANCHMSA-N	417.937	3.908	10	20	HHCD	
CON(C)C(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	736977073	KQTVWVAAFUPZBG-UHFFFAOYSA-N	410.518	3.878	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	737924701	PEAWDUMBNMXHBS-UHFFFAOYSA-N	412.515	3.893	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C[C@H]4CCCO4)CC3)c2C)cc1C	740942470	GIODJHVNCPAGLN-HSZRJFAPSA-N	409.574	3.690	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2NC(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)O1	741061039	VDTBBZKNWRNUOB-PMACEKPBSA-N	420.557	3.994	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(N2CCCCCC2)c1	741094960	BNNAMLXKRCHQPX-UHFFFAOYSA-N	420.557	3.922	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc(-c2nnc3n2CCC3)c1	743087544	OTXLZCZYCXLYTL-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1	745492973	LXZOZJSUWNGOOU-LSDHHAIUSA-N	412.372	3.807	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(Cc2ccncc2)CC1	745649409	BZSNIGNDJSVDCV-UHFFFAOYSA-N	409.578	3.732	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C12CCCC2	745918655	NZTNBSVIYCRXON-SESVDKBCSA-N	402.535	3.821	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1Cl	749731703	YENGKBNRCWZQFA-UHFFFAOYSA-N	413.952	3.821	10	20	HHCD	
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccccc4)c3C)C2=O)o1	750828099	PECJSWKCUQQSOG-HSZRJFAPSA-N	405.454	3.645	10	20	HHCD	
COc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc(OC)c1OC	751299700	OLWARUATCCEOFA-UHFFFAOYSA-N	404.426	3.674	10	20	HHCD	
O=C1CCc2cc(S(=O)(=O)N(Cc3ccccc3O)C3CCCC3)c(F)cc2N1	751355377	DPSMDPVMMMELPF-UHFFFAOYSA-N	418.490	3.550	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@@H](c3ccccc3)[C@H]2C)c1	751599638	CEJXAKZXRSQWJY-HOYKHHGWSA-N	408.542	3.805	10	20	HHCD	
CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1	751795642	CTSWSYYRSSXQDL-IBGZPJMESA-N	416.566	3.801	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)O[C@@H]3CCCN(Cc4ccccc4)C3=O)cs2)cc1	751945442	NXLMJEZRPUFEOB-HXUWFJFHSA-N	421.522	3.664	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nc(Cc2ccccc2)no1	752866349	QXLQUDSIZSULGZ-QGZVFWFLSA-N	405.502	3.821	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3nc(-c4cccs4)oc3C)CC2)cc1F	753742957	ZAWOWLOGWYYBRN-UHFFFAOYSA-N	415.490	3.751	10	20	HHCD	
O=C1CSc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2N1	754541326	HCMPVPRJPZPTJU-UHFFFAOYSA-N	414.442	3.759	10	20	HHCD	
COc1cc(C[C@H](NCc2cc(Cl)cc(Cl)c2O)C(=O)O)cc(OC)c1	756367627	VEBLOIPGYUAURB-INIZCTEOSA-N	400.258	3.502	10	20	HHCD	
COc1ccc(OC)c([C@@H](O)CN[C@H](C)c2cc(Br)cc(F)c2O)c1	756382851	FBGDMZQHKZZSLN-HWPZZCPQSA-N	414.271	3.695	10	20	HHCD	
C[C@@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(Cl)c(Cl)c1O	756707059	KLCPZVZDYWBUIV-SECBINFHSA-N	417.305	3.614	10	20	HHCD	
Cc1ccc(N(C)[C@@H]2CCCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)cc1	758397409	PITIWDLSRHXREK-XMMPIXPASA-N	422.573	3.642	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc4[nH]c(C)cc4c3)CC2)cc(OC)c1OC	759977195	DHULKWCPCQSDTD-UHFFFAOYSA-N	424.501	3.856	10	20	HHCD	
CCN(Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	764293597	ORRDCGYKZWTYDZ-INIZCTEOSA-N	413.477	3.706	10	20	HHCD	
C[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1cc2c(cc1O)CCCC2	765808807	KMHJNCOMYMMAAZ-MRXNPFEDSA-N	400.544	3.662	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc3c(c1)COC3)c2[N+](=O)[O-]	769286590	AXJWUOJPWRCHAC-UHFFFAOYSA-N	414.373	3.653	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-]	771579662	XZSGBQPBZMCOMX-UHFFFAOYSA-N	411.256	3.572	10	20	HHCD	
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	772701647	QJYWPLNZRWRUEE-QUCCMNQESA-N	409.548	3.589	10	20	HHCD	
C[C@@H](NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1	773013086	ZZONVQQENDXXER-QGZVFWFLSA-N	418.559	3.583	10	20	HHCD	
COc1cc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F	773218452	HNHCYWRLGHGOEL-UHFFFAOYSA-N	413.493	3.730	10	20	HHCD	
Oc1cc2c(cc1CNCc1cc(Br)ccc1Br)OCO2	775365392	PEIPARMCFRSBDE-UHFFFAOYSA-N	415.081	3.936	10	20	HHCD	
C[C@@H](NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccc(N(C)C)cc1	775403516	NUCGUBRGLGKMQL-MRXNPFEDSA-N	407.470	3.854	10	20	HHCD	
Cc1cccc(NC(=O)CN2CCN(Cc3cc(Cl)cc(F)c3O)CC2)c1C	775644513	MHFDFWZRMOQCGT-UHFFFAOYSA-N	405.901	3.558	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H](C1CCCC1)C(F)(F)F	775774393	KBGNYMJUMIVIOT-LJQANCHMSA-N	413.484	3.816	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccnc(OCC(F)(F)F)c3)CC2)cc1	776490269	FQJWHRIYKOKIHP-UHFFFAOYSA-N	424.423	3.776	10	20	HHCD	
CC(=O)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)nc1C	776788929	WNYRTGWRJDWVAR-OKILXGFUSA-N	413.493	3.584	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(OCCNCc3cc(F)ccc3O)c2)cc1	779081190	MOAVMQUVKFOVPW-UHFFFAOYSA-N	410.445	3.961	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](NC(C)=O)C(C)C)c2C)c1	779377528	JEPFFWYIOWLYCL-NRFANRHFSA-N	416.543	3.703	10	20	HHCD	
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1ccc(N(C)C)c(F)c1	779597869	GKJOAVKBSQMKQH-UHFFFAOYSA-N	409.527	3.589	10	20	HHCD	
O=C(CCSc1ccccc1Br)OCC(=O)c1ccc(O)c(O)c1	782942590	QHYWZJDBASHTLP-UHFFFAOYSA-N	411.273	3.769	10	20	HHCD	
Cc1ccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Br	783526236	GVTKOSHQJGVDRE-UHFFFAOYSA-N	417.347	3.795	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C	783912522	WLHBEMVLDGFXFC-HKUYNNGSSA-N	419.447	3.919	10	20	HHCD	
CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	785294822	NWNUMGDGBADNOU-LBPRGKRZSA-N	404.894	3.562	10	20	HHCD	
C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@@H](C)c1cccc(C(F)(F)F)c1O	788603546	RHYIOVMRVARJAA-HOTGVXAUSA-N	408.468	3.667	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)cc2F)C[C@@H](C)O1	788881338	IVWRGPCUAXWMEP-VVZMZAKNSA-N	415.484	3.934	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)c(O)c1	792949502	AZGMSWYXXNVMEP-UHFFFAOYSA-N	402.454	3.739	10	20	HHCD	
COc1ccc(CNC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)c(O)c1	794378167	PYEOACFVXCSHFS-GFCCVEGCSA-N	406.276	3.689	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@H](N3CCCC3)C[C@@H]2C)c(C)n1-c1ccc2c(c1)OCCO2	796427481	IKKKAFABDBBQBX-LAUBAEHRSA-N	423.557	3.607	10	20	HHCD	
CNC(=O)CSCC(=O)c1cc(C)n(-c2ccc(OC(F)(F)F)cc2)c1C	799309049	YXCZQVUOUQRGHB-UHFFFAOYSA-N	400.422	3.655	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(-c4cc5ccccc5o4)n3C)CC2)cc1F	800739954	VVWKJVISXVBNBG-UHFFFAOYSA-N	407.449	3.703	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(N(C)C(C)=O)CC1	801969566	CAKIBNRIECZRFJ-UHFFFAOYSA-N	420.561	3.820	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCc2cn(CCOC)nc21	802294187	DRJIFUFRUYTDJK-LJQANCHMSA-N	400.523	3.624	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2nccn2C)c1	802610895	XCVPTEDYHUXYTP-UHFFFAOYSA-N	406.486	3.560	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CN3C(=O)NC4(CCSCC4)C3=O)cc2Cl)C1	804189472	ZGHHPFAHFSCVKR-AWEZNQCLSA-N	407.967	3.894	10	20	HHCD	
Cc1ccccc1[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C	805877831	UNPDLNHAMFTFLH-OFNKIYASSA-N	424.541	3.722	10	20	HHCD	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)NCCCSc2nccs2)C2CC2)o1	806279695	WXYJFUBERXJLSS-CZUORRHYSA-N	419.572	3.649	10	20	HHCD	
O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc(Cl)cc1Cl	807385983	YXUCHXZLZWTFOC-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
CC(=O)C(=O)COC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12	808484116	JWWHDSCVTPYBTN-UHFFFAOYSA-N	400.481	3.774	10	20	HHCD	
Cc1cc(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1Cl	812919444	LTZYGWPUPBCWSZ-UHFFFAOYSA-N	415.965	3.899	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1	813795166	GMGSSAZGQJQJNB-QGZVFWFLSA-N	403.523	3.856	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H](O)CC2)c(C)n1-c1cccc(Br)c1	815299358	YHQWAPYOCZZWGE-SFHVURJKSA-N	405.336	3.886	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C2CC2)cc1	914437833	KVQFJSSCFZDNJG-UHFFFAOYSA-N	423.601	3.966	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(NC(=O)C2CC2)c1	916678270	UKIXKCKNYWIJSD-UHFFFAOYSA-N	422.529	3.566	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(-n4cccn4)c3)cc2F)C[C@H](C)O1	916682050	CJXZLNNLTGHAQR-IRXDYDNUSA-N	423.492	3.947	10	20	HHCD	
O=C1c2ccccc2N[C@H](c2cc(O)cc(Br)c2O)N1C[C@H]1CCCO1	917501953	VANNNMUNTOSXBJ-XIKOKIGWSA-N	419.275	3.606	10	20	HHCD	
Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	917708116	GJTUVPPKZARWTO-UHFFFAOYSA-N	401.463	3.617	10	20	HHCD	
CC(C)(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-]	917709723	WTYDUYGCZZNDIX-UHFFFAOYSA-N	415.465	3.798	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@H]3C3CCCC3)CC2)cc1	918058797	VMTRXYJAFFDGQC-QHCPKHFHSA-N	414.594	3.572	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3cccc(F)c3)cc2)C1	918123507	XWGMKOADFJHWNT-SIKLNZKXSA-N	424.520	3.574	10	20	HHCD	
O=C(C(=O)N1CCCc2ccc(F)cc21)N(Cc1ccco1)Cc1ccccc1O	918294603	HZCRZFQSAQLTNA-UHFFFAOYSA-N	408.429	3.633	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nnc(-c2ccsc2)s1	919653710	XSTLVTKXPGQFMK-UHFFFAOYSA-N	415.544	3.767	10	20	HHCD	
C[C@H](NC(=O)NCc1cc(Br)cs1)c1ccc(N2CCOCC2)cc1	920869868	CCODOTXCSGTZMR-ZDUSSCGKSA-N	424.364	3.908	10	20	HHCD	
CCOc1ccc(N2CCN(c3nn4cc(-c5cccnc5)nc4s3)CC2)cc1	1116529847	XHFQWKJXGQIWHS-UHFFFAOYSA-N	406.515	3.578	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)C[C@H](O)COCCOC(C)C)c1	1319035690	MSZGLTNFYVHZEV-IBGZPJMESA-N	422.953	3.622	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H]2CC2(F)F)C3)cc1	1845398677	OUMISKOUTSXINL-LJQANCHMSA-N	413.468	3.566	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)c3nc4ccccc4s3)CC2)cc1	7906701	BDBVJCJZXSSSPI-KRWDZBQOSA-N	424.570	3.647	10	20	HHCD	
C[C@H](NC(=O)NCCc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)cc1	141032746	HEDWCBYCSRBUFO-INIZCTEOSA-N	419.472	3.728	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCOC2=O)cc1	143557165	SEQWSPUMPLAVBM-KRWDZBQOSA-N	408.502	3.804	10	20	HHCD	
O=C(NCCc1csc2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1	195564294	YCWQHUWAQYEJSE-UHFFFAOYSA-N	413.518	3.919	10	20	HHCD	
CN(C)C(=O)CN1CCC(NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1	237152957	SYQZDGQUEXVUER-UHFFFAOYSA-N	403.611	3.629	10	20	HHCD	
COc1ccc2[nH]cc(C3CCN(CC(=O)NCc4ccc(N(C)C)cc4)CC3)c2c1	302991594	JNKOTTCPPZYRFB-UHFFFAOYSA-N	420.557	3.738	10	20	HHCD	
O=C(Nc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)cc1)C1=S=CC=C1	463722461	PBYKLNCIAXZSJD-UHFFFAOYSA-N	424.432	3.619	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCc3c(C)c4ccccc4n3C)C2)c1	471985395	LPPUYWKKABMPHV-QGZVFWFLSA-N	422.529	3.582	10	20	HHCD	
Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)C1=S=CC(Br)=C1	542296390	GIRQGIZVJYMLEH-UHFFFAOYSA-N	404.289	3.861	10	20	HHCD	
COc1ccc(OC)c(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	726483254	UFROSSXWYMLPKK-HNNXBMFYSA-N	401.532	3.588	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)cc1	726499652	GBNVTAIBJKJNMM-OAQYLSRUSA-N	423.557	3.549	10	20	HHCD	
COc1cccc(CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726614953	YDWBXQPKTSAIQA-UHFFFAOYSA-N	419.472	3.807	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)cc1	726692334	FKCAQQPINRPRAK-UHFFFAOYSA-N	415.490	3.512	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(O)c1O	727004318	SHQIOIVHKFEXMD-HXUWFJFHSA-N	405.450	3.663	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)c1ccc(Cl)cc1	727105820	RCCJKZVICBFDND-UHFFFAOYSA-N	408.832	3.909	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](c3nc(C4CC4)no3)C(C)C)CC2)cc1	727941967	OGXZJKMGYAAJTG-IBGZPJMESA-N	413.522	3.621	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3ccc4c(c3)CCO4)ccc21	728638781	LVUSQWZTPDSSQL-UHFFFAOYSA-N	407.466	3.879	10	20	HHCD	
CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)n1nnc(-c2ccc(Cl)cc2)n1	729536975	QBHFLHSEWZNJPU-YVEFUNNKSA-N	415.881	3.536	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc(C(=O)OC)cc2)cc1F	731364962	VVACNPBEGDNPKS-UHFFFAOYSA-N	401.482	3.800	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC1(N2CCCCC2)CCOCC1	732158895	FUDSLTOSBYZGLO-UHFFFAOYSA-N	401.576	3.921	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(CNC(=O)OC)cc2)cc1F	735373306	XUFZZXQOKHCPAD-UHFFFAOYSA-N	402.470	3.850	10	20	HHCD	
Cc1ccc([C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)N(C)C)cc1	743330822	VYMGWIGJJXQOFZ-JOCHJYFZSA-N	412.603	3.650	10	20	HHCD	
CC(C)(CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCCC1	743518567	XQQDNZLXKJTEDC-KRWDZBQOSA-N	424.536	3.821	10	20	HHCD	
COc1ccccc1C[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	743564902	QRHOZVYDQQIFRG-RBUKOAKNSA-N	411.546	3.865	10	20	HHCD	
C[C@@H]1CCCN([C@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	743605744	VJACRWXLZGCLJL-KURKYZTESA-N	424.536	3.676	10	20	HHCD	
CC(C)N(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Cc1ccccn1	744388991	DHVNYKSNRJKILX-UHFFFAOYSA-N	413.477	3.706	10	20	HHCD	
Cc1cc(C)c(N2C[C@@H](C(=O)NCc3ccc4c(c3)CCCN4C)CC2=O)c(C)c1	746812722	JRRVWBZCDRKOOF-NRFANRHFSA-N	405.542	3.664	10	20	HHCD	
COc1cccc(S(=O)(=O)CCN(Cc2ccco2)c2ccc(OC)c(F)c2)c1	749334265	CSXPBRHZUAUMEJ-UHFFFAOYSA-N	419.474	3.916	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccccc1OCc1ccccc1	753644419	MITNZFDZEXIDBP-QGZVFWFLSA-N	407.466	3.803	10	20	HHCD	
COc1ccc(N2CCN(c3nc(C)nc4c3cnn4-c3ccccc3)CC2)cc1F	754026209	OFXUBXYRFDJAEF-UHFFFAOYSA-N	418.476	3.598	10	20	HHCD	
Cc1csc([C@H](C)CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1	754159039	KRZQAZGPHRPJCQ-BMFZPTHFSA-N	420.554	3.807	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1	755030154	NYMOUFXBMUBLQE-VIFPVBQESA-N	410.224	3.954	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN(C)C(=O)OCc1ccccc1	756438718	RHDHIDLPDOEXLF-UHFFFAOYSA-N	409.530	3.904	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)cc(F)c1O	756674143	IOFQMUZXDYNBGS-SJKOYZFVSA-N	407.283	3.746	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C)cc1O[C@H]1CCOC1	758901218	PCNXNXAWJIOWAK-QFIPXVFZSA-N	411.546	3.960	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cccc(-c4ccoc4)c3)CC2)cc(OC)c1OC	759242000	LEGFYZPIHDBKGJ-UHFFFAOYSA-N	422.481	3.935	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C/c2cccc(-n3cccn3)c2)SC1=S	760213194	YEAFHKXXQHWQHI-SSZFMOIBSA-N	401.513	3.719	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3nc4ccc(F)cc4s3)SC2=S)cc1	760988674	IOOZPKDPINZAPM-ZSOIEALJSA-N	415.496	3.940	10	20	HHCD	
Cc1cc(C)c(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cc1O	762696151	XCTNDYYYZYBSTC-UHFFFAOYSA-N	418.496	3.829	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2F)C[C@@H](C)O1	765119702	ZPXRBMNWAMJHPG-IXDOHACOSA-N	420.550	3.694	10	20	HHCD	
Cc1cc(OC(C)C)ccc1NC(=O)C(=O)NCc1cccc(Br)c1O	765904364	SAIYTKDNJHVURJ-UHFFFAOYSA-N	421.291	3.505	10	20	HHCD	
CC(C)[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)NC(=O)OC(C)(C)C	766028025	RZTUOZMHVWUBHG-LPHOPBHVSA-N	409.546	3.862	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(S(=O)(=O)N(C)C)cc1	766239530	JIHXFIVEIUEUIT-UHFFFAOYSA-N	401.576	3.559	10	20	HHCD	
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCc1ccccc1O	767926556	LNEBZOQXRUEMNW-UHFFFAOYSA-N	406.467	3.641	10	20	HHCD	
CN(C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C	768916681	VLIXGMKNOPUTEF-FQEVSTJZSA-N	403.567	3.602	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(N2CCOCC2)cc1	769065427	RNVOZBZNCCIJBZ-UYAOXDASSA-N	401.551	3.765	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1O	770381397	QUPOPJQCTZABQR-LBPRGKRZSA-N	407.312	3.538	10	20	HHCD	
COc1ccc(N2CCN(Cc3nc(COc4cc(C)cc(C)c4)no3)CC2)cc1	771092869	OHYFXLMJAOOAJL-UHFFFAOYSA-N	408.502	3.596	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1)c1ccc(N(C)C)cc1	773846386	KYSJHBBMDFTZON-MRXNPFEDSA-N	404.470	3.756	10	20	HHCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1-c1cccc2cnccc12	773991613	BROZHZUTPHSXHH-OAHLLOKOSA-N	400.486	3.681	10	20	HHCD	
CCCN1C(=O)CCc2cc(NC(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21	774110484	MWJNXMPWTSJQJK-UHFFFAOYSA-N	422.529	3.739	10	20	HHCD	
O=[N+]([O-])c1ccc(N2CCC(NCc3cccc(Br)c3O)CC2)cc1	775151896	JSPUGONHAISKFQ-UHFFFAOYSA-N	406.280	3.822	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC[C@@H]1CN1CCCC1	775664991	UNQCQQQSGFSSIU-CQSZACIVSA-N	418.173	3.977	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3F)SC2=S)c1	777869791	OBEWNGGSVMZOCU-VGOFMYFVSA-N	404.400	3.838	10	20	HHCD	
COC(=O)[C@@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccc(OC)cc1	779177604	CVDWFCOWFHYDRZ-QHCPKHFHSA-N	407.466	3.984	10	20	HHCD	
C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779490056	WNOCTKMYURMDDE-LOWQCSRCSA-N	409.511	3.626	10	20	HHCD	
Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c(O)c1O	780967265	FLXJSLSCZIKZSP-JTQLQIEISA-N	418.247	3.710	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2N(C)C)cc1	782429119	HZOJOYVLXIXIQA-UHFFFAOYSA-N	420.513	3.579	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](CC(F)(F)F)C(C)C)cc2F)CC1	782969486	XBEKBRVCGMTLIK-QGZVFWFLSA-N	418.479	3.744	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(C(F)(F)F)n1	786289979	NKBLNCNUETUFMD-UHFFFAOYSA-N	420.435	3.688	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1F	791246985	SLNZQCAKWHKZEX-UHFFFAOYSA-N	417.437	3.736	10	20	HHCD	
CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2cc(F)cc(C(C)=O)c2O)cn1	792365351	NJJZFEZVZITDFK-JOCHJYFZSA-N	411.477	3.686	10	20	HHCD	
CN(C)c1ccc(CN2CCC(C(N)=O)(c3ccccc3)CC2)c(C(F)(F)F)c1	792828097	RUFCJUPWLCFHDI-UHFFFAOYSA-N	405.464	3.791	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2csc3ccccc23)cc1Cl	795289706	IGGWPYBURCPBOZ-UHFFFAOYSA-N	416.933	3.727	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3ccnn3-c3ccccc3)CC2)cc1	798925770	FATFFLVAVPNMID-NRFANRHFSA-N	419.573	3.744	10	20	HHCD	
Cc1noc2ncnc(NC[C@H](NC(=O)OC(C)(C)C)c3ccc(N(C)C)cc3)c12	799960776	OTOBMMZJTRJOPJ-INIZCTEOSA-N	412.494	3.670	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1	801548536	WWJUSELORHITAD-UHFFFAOYSA-N	416.543	3.523	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1	802079174	COURFFDATZHSQF-HOYKHHGWSA-N	421.545	3.757	10	20	HHCD	
Cc1cc(C(=O)OC[C@]2(C)CNC(=O)C2)c(C)n1-c1cccc(Br)c1	802196294	LWYRPZLHTPPFDZ-IBGZPJMESA-N	405.292	3.540	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NCCc2ccncc2)c(C)n1-c1ccc(F)cc1	805981133	MDJKWJSEZBXYBJ-KRWDZBQOSA-N	409.461	3.532	10	20	HHCD	
C[C@H](NC(=O)Nc1nc(C2CCOCC2)cs1)c1ccc(N2CCOCC2)cc1	806729550	PWDZAZOSGWUNDH-HNNXBMFYSA-N	416.547	3.756	10	20	HHCD	
COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cc(Cl)c(O)cc1F	808115668	NQYXZHFRAXMOGZ-UHFFFAOYSA-N	415.851	3.987	10	20	HHCD	
CC(C)(CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)[C@@H]1CCCCO1	809423409	GAXVKEDWIYJLLH-NRFANRHFSA-N	416.562	3.765	10	20	HHCD	
COc1ccc(C[C@@](C)(O)CNCc2cc(C)cc(Br)c2O)cc1OC	810173308	CKKPJXLZHJAAJH-HXUWFJFHSA-N	424.335	3.564	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCOC1	812380551	MPVBQNJMPUPAMO-GOSISDBHSA-N	417.513	3.660	10	20	HHCD	
O=C(CCN1CCN(c2ccccc2)CC1)NCc1cc(Cl)cc(Cl)c1O	813684406	PYQBDJTZQJZMOS-UHFFFAOYSA-N	408.329	3.528	10	20	HHCD	
Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)c3c(C)cc(C)cc3O)CC2)cc1	815556927	IPWMIZCYYKAUSN-SFHVURJKSA-N	402.560	3.821	10	20	HHCD	
COc1ccc(N2CCN(CCCNc3cc(C(F)F)nc(SC)n3)CC2)cc1	820611118	UDHKHAVCQKVGQK-UHFFFAOYSA-N	423.533	3.769	10	20	HHCD	
O[C@H](COCc1ccco1)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	836232415	ACPSWYNTRYXVID-MOPGFXCFSA-N	414.527	3.992	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cn2)C[C@H](C)O1	915699087	RVJOHZKIXZCGJO-ROUUACIJSA-N	409.534	3.617	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCCOc3ccccc3Cl)CC2)cc1	916076075	MHEXOSIOEUJFJQ-UHFFFAOYSA-N	420.962	3.809	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916456831	UURLMOOBUMFJJV-UHFFFAOYSA-N	423.391	3.689	10	20	HHCD	
CCOC(=O)N[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)CC(C)C	916632600	XJIWSQIMSODAGV-HXUWFJFHSA-N	418.582	3.979	10	20	HHCD	
O=C1CSc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2N1	916673780	XCHUEYMAVOBYSQ-MRXNPFEDSA-N	413.499	3.650	10	20	HHCD	
COc1ccc(N2CCCN([C@@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc1	917088361	RQPFCDOXCDHSAC-KRWDZBQOSA-N	401.938	3.566	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3cc(Br)ccc3C)CC2)cc1	917823857	QOUDNDHZSRYFAH-UHFFFAOYSA-N	418.335	3.527	10	20	HHCD	
C[C@@H]1CN(c2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2)C[C@@H](C)O1	918036594	XMYDKNZTMLXURB-QZTJIDSGSA-N	423.561	3.958	10	20	HHCD	
Cc1cc(O[C@@H](C)C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1Cl	919472991	IOGPMCQTLAACCB-INIZCTEOSA-N	418.921	3.684	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1Br	919767499	NYTRJJOMSZFXHA-UHFFFAOYSA-N	409.711	3.869	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC(CN4CCN(C)CC4)CC3)c2C)c1	919936450	LQCQIXFOHYONNZ-UHFFFAOYSA-N	408.590	3.502	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)c1cccc(Cl)c1	921076473	XQRHMITUGFMCJU-UHFFFAOYSA-N	408.876	3.957	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccc(CS(=O)(=O)NC(C)C)cc1	1116588612	IDGNEKJAIJICSS-QFBILLFUSA-N	402.560	3.867	10	20	HHCD	
COC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n(-c2ccccc2)n1	1251602257	XTLKUVBTTCKPMP-UHFFFAOYSA-N	420.513	3.776	10	20	HHCD	
COc1ccc(Cl)cc1CCNC(=O)NCc1ccc(N2CCSCC2)cc1	1318540126	CUHQVAOBEDFCFC-UHFFFAOYSA-N	419.978	3.944	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2nccs2)C3)cc1	1845398188	JJIUQUSZYSPMIF-UHFFFAOYSA-N	420.538	3.681	10	20	HHCD	
Cc1cccc(N2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)c1	47036763	GHIGUDQBTCFWQU-UHFFFAOYSA-N	410.587	3.580	10	20	HHCD	
COC(=O)COc1c(C)cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C	63916568	RBFADONAOSBLCO-IBGZPJMESA-N	412.530	3.543	10	20	HHCD	
COc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])cc1O	237364904	AYJYZFSMNONIHC-CQSZACIVSA-N	423.416	3.669	10	20	HHCD	
CCN1CCc2nc3ccccc3c(C(=O)N3CCOc4cc(N(C)C)ccc43)c2C1	565522514	KSLTYKBDRXLKLZ-UHFFFAOYSA-N	416.525	3.718	10	20	HHCD	
C[C@H](NC(=O)[C@@](C)(CC(=O)O)C1CCCCC1)c1ccc(N2CCOCC2)cc1	726604147	HFHMFXBDZOFAFM-SBUREZEXSA-N	402.535	3.762	10	20	HHCD	
Cc1cc(CC(=O)NCCC(=O)Nc2cccnc2)c(C)n1-c1ccc(Cl)cc1	727170989	JYWPKLWRFCYYIK-UHFFFAOYSA-N	410.905	3.830	10	20	HHCD	
COc1cccc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)c1O	727762279	JNNCGYOIPLDNAL-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	728311035	XJMIQDPJUNJPNW-DYXWJJEUSA-N	400.567	3.546	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCCN2CCN(c3ccccc3)CC2)C2CC2)cc1	731970322	XPACJDBXEAXHSM-UHFFFAOYSA-N	420.601	3.846	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c(C)n1-c1cccc(Cl)c1	732780233	ITUNEPBERJNSOP-IBGZPJMESA-N	414.981	3.646	10	20	HHCD	
Cc1noc(C)c1[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	733803976	UBIPHSLZWAIFOS-MCIONIFRSA-N	404.486	3.605	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N(CC1CC1)CC1CC1)c2[N+](=O)[O-]	734398384	CNAAONKKYVPIKD-UHFFFAOYSA-N	404.422	3.632	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl	740908913	DJHORKZDOKPYMV-LPHOPBHVSA-N	403.885	3.671	10	20	HHCD	
COc1ccc(C2(NCc3cc(Br)cc(OC)c3O)CCOCC2)cc1	742373226	RZAISXIYWLYBCO-UHFFFAOYSA-N	422.319	3.967	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnc(CCc2ccccc2)o1	742460852	FKQQABJTCJCBHR-UHFFFAOYSA-N	410.543	3.672	10	20	HHCD	
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccc(N2CCCCC2)cc1	742475981	RKBMUUQPTRNRFF-XMMPIXPASA-N	405.542	3.829	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc3[nH]ncc23)NC(=O)OC(C)(C)C)cc1	742749302	FQBBIAJKTDDWFX-HXUWFJFHSA-N	423.517	3.625	10	20	HHCD	
Cn1cc(-c2csc(NS(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)n2)cn1	743049623	KJRREVAFGJPFNE-UHFFFAOYSA-N	420.850	3.599	10	20	HHCD	
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	743553708	QHACPBGAOVTYAU-OAQYLSRUSA-N	417.500	3.868	10	20	HHCD	
Cc1noc(C(F)F)c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	746131494	YZNGBFFETNQBNY-UHFFFAOYSA-N	419.350	3.706	10	20	HHCD	
COc1ccc(N(CC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC(C)C)cc1	746171239	XCGIRFGLUSWAMZ-UHFFFAOYSA-N	412.530	3.760	10	20	HHCD	
CC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCOCC1	746421988	SIOQNXOXJQLXPU-QFBILLFUSA-N	411.493	3.761	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)c(F)cc1F	746811885	QPGLDLDODHTSHM-UHFFFAOYSA-N	418.337	3.889	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cccn(Cc2ccccc2)c1=O	751301206	BCSUBALOCMOQCU-UHFFFAOYSA-N	421.460	3.859	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCOc2cccc(F)c2)cc1	751403111	CIFLWTQNZXGRRB-QFIPXVFZSA-N	400.494	3.868	10	20	HHCD	
CC[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Oc1ccccc1C	752006240	YSSJIUGAUFCXAU-IBGZPJMESA-N	415.509	3.628	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccccc3OCC3CC3)CC2)cc1F	753917323	CRBGPZNHCNDRHZ-UHFFFAOYSA-N	413.493	3.655	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCCCCC(=O)OC(C)(C)C)CC2)cc1F	753919438	SZKDGTNNRUGERC-UHFFFAOYSA-N	423.529	3.568	10	20	HHCD	
O=C(Nc1cccc(-c2ncco2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	754485129	YVFFVKNNJZUSKD-UHFFFAOYSA-N	417.421	3.808	10	20	HHCD	
COC(=O)c1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1Br	755507968	OOFYWUUYMYJNQX-UHFFFAOYSA-N	424.270	3.763	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(-c4n[nH]c(C)n4)ccc3C)CC2)cc1F	755829823	QWXBFJZQPMMSMY-UHFFFAOYSA-N	424.480	3.590	10	20	HHCD	
C[C@@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1cc(Br)ccc1O	756435009	SRSYZFIUUUABMW-MRXNPFEDSA-N	418.379	3.753	10	20	HHCD	
CCOC(=O)COc1ccc(CCN[C@H](C)c2ccc(Br)cc2O)cc1	756732955	OCTKHAXFIGEUPG-CQSZACIVSA-N	422.319	3.990	10	20	HHCD	
CC(C)Oc1cncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	764923899	FKZLMFNUASZORO-HOTGVXAUSA-N	401.482	3.552	10	20	HHCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)[C@H]1CN(Cc2ccccc2)CCO1	765077401	CAHNYMSADAKBFU-GBXCKJPGSA-N	411.615	3.619	10	20	HHCD	
COc1cc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1SC	765250696	CQQAWSYUQCJIAL-VQIMIIECSA-N	413.587	3.970	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1OC(F)F	765980077	NRWGQOKMHIIGBL-LJQANCHMSA-N	424.513	3.764	10	20	HHCD	
O=C(c1ccc(Br)cc1)N1CCN(Cc2c(O)cccc2Cl)CC1	769192158	ZVQVDLCMRQTOLK-UHFFFAOYSA-N	409.711	3.766	10	20	HHCD	
CCOc1ccc(O)c(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c1	769313738	PTEYPGQAHQUTHL-OAHLLOKOSA-N	424.497	3.605	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCS(=O)(=O)CC2CC2)cc1	772169667	MLPAFPXUFOAECT-UHFFFAOYSA-N	414.531	3.723	10	20	HHCD	
CC[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(N(C)C)cc1	773002818	YXSWFCDZJQETGW-XMMPIXPASA-N	408.590	3.819	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1O	774967794	POBXAMDQAMPYIY-ZDUSSCGKSA-N	416.905	3.756	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCO[C@@H](C(F)(F)F)C1	775714733	SCHUSDCAQIVITM-SNVBAGLBSA-N	419.035	3.680	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCOc1ncc(C(F)(F)F)cc1Cl	779541455	HFCSXGFVWJWKNH-HWKANZROSA-N	416.783	3.764	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Br)ccc3C)c2)CC1	781045864	TZYHXTMZEZXGRW-UHFFFAOYSA-N	416.319	3.678	10	20	HHCD	
C[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H]2CCCC[C@H]12	782811416	YBQGNTOAOSSWIR-UNEWFSDZSA-N	420.556	3.905	10	20	HHCD	
C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785426411	YCJVHKVGJAULGL-CQSZACIVSA-N	407.436	3.607	10	20	HHCD	
CCOc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)cc1	785743784	BMECLXKOBZQFSY-INIZCTEOSA-N	415.509	3.564	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CN(C(=O)OC(C)(C)C)C1	788609539	QGKXVQPKHRXRCH-HNAYVOBHSA-N	423.985	3.855	10	20	HHCD	
Cc1cc(C)c([C@H](C)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(O)c1	788801037	XYBOCNUQOANLNI-AZUAARDMSA-N	414.521	3.516	10	20	HHCD	
Cc1cc([C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)ccc1F	788911234	LBNLLSUGWVXGKK-JOCHJYFZSA-N	409.505	3.618	10	20	HHCD	
COc1ccc([C@H](CN(C)C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	790653334	QDCIEFZOXCAZFM-NRFANRHFSA-N	412.534	3.986	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCCCSc1nccs1	792245546	VRXLHEMVWBYULG-UHFFFAOYSA-N	420.343	3.696	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(Br)cc(F)c2O)s1	794826843	FOTOYLDTTDMXKQ-VIFPVBQESA-N	422.341	4.000	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1O	797039881	LVCHIBDRFLDLIB-GDBMZVCRSA-N	410.356	3.794	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(Br)c(F)cc1F	797648859	RIAHQCMUGXZSFY-QMMMGPOBSA-N	401.207	3.891	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O	801551984	VWZSSZPXKOMSSU-MRXNPFEDSA-N	416.543	3.545	10	20	HHCD	
Cc1cnc(COCC(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)o1	803899864	IKUDKKWIOKLKAG-UHFFFAOYSA-N	410.470	3.950	10	20	HHCD	
O=S(=O)(Cc1ccccc1Br)NCc1ccc(N2CCCC2)cc1	804948900	LNLBUOJDULGVTP-UHFFFAOYSA-N	409.349	3.669	10	20	HHCD	
CCn1c(SCC(=O)C(C)=O)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O	808017539	ZKCYUYCSFBWFDZ-UHFFFAOYSA-N	404.488	3.843	10	20	HHCD	
CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	915676163	BYLQFIXIDDWONM-GOSISDBHSA-N	401.492	3.648	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	916505730	AWCQKOMJNBNSBW-SJBKTWHCSA-N	417.594	3.841	10	20	HHCD	
COCCOc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	916691000	GHFXAHQILGLMCF-HXUWFJFHSA-N	400.475	3.631	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3nc4ccccc4o3)cc2F)C[C@@H](C)O1	917709848	GOPCEDGXORRISO-IYBDPMFKSA-N	411.477	3.830	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	917712481	PBVWIDHNNMPNFN-GASCZTMLSA-N	401.438	3.586	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1	918203305	SHZACVUWTUTGAL-NRFANRHFSA-N	409.509	3.994	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(Cc1ccc(F)cc1)C1CC1	918220425	XOVXEGDLIYKLPC-UHFFFAOYSA-N	415.484	3.800	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C	918304752	XVRPNMUAYIKOIK-UHFFFAOYSA-N	424.545	3.643	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)c1ccc(N2CCOCC2)cc1	921117770	CKJNRHIYUKQMKB-GOSISDBHSA-N	405.502	3.651	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)nn3-c3ccc(C)cc3)CC2)cc1F	1319513390	HMEYMIVSXKQCOH-UHFFFAOYSA-N	423.492	3.991	10	20	HHCD	
CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)CCCC1	1785903768	PFEKOKDCJIQNMR-UHFFFAOYSA-N	409.486	3.821	10	20	HHCD	
Cc1cscc1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1788744973	IOLUBAOGCHZSGJ-UHFFFAOYSA-N	423.494	3.924	10	20	HHCD	
C/C=C(/C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1	1792301229	OMDURKDHYUYZOO-DBYREVGKSA-N	422.481	3.917	10	20	HHCD	
Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1cccc(Br)c1	5711425	BWQGCQJTSPWRNS-UHFFFAOYSA-N	405.321	3.960	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccccc3Cl)n2C)cc1	7021998	WPQAXSQUEWWPAV-UHFFFAOYSA-N	415.950	3.610	10	20	HHCD	
CCOc1ccccc1OCCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	55522782	VNJSJIJGYYYHQZ-UHFFFAOYSA-N	416.493	3.536	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CCn1c(S)nnc1-c1cccs1	60349185	QXQXATANYGIFTJ-UHFFFAOYSA-N	402.545	3.830	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1c[nH]c2cccc(Br)c12	513938103	OMPPARHPDQDDLJ-UHFFFAOYSA-N	414.303	3.965	10	20	HHCD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1	564026264	XDKFDGDFDFSAJS-UHFFFAOYSA-N	417.531	3.507	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	726237789	MMUDHXCXESFYDC-MZKRTTBSSA-N	422.573	3.719	10	20	HHCD	
Cc1ccc(CN(CC(=O)NCC(F)(F)F)c2ccc3c(c2)OCCO3)s1	727150744	ZMDOGZXPUUPBFS-UHFFFAOYSA-N	400.422	3.513	10	20	HHCD	
Cc1cc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Cl)cc1	728868583	WNRFRSHYAQKQNE-GOSISDBHSA-N	406.935	3.539	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1	728977809	DPAIJXDWHVBMNC-VGMNTSGFSA-N	408.498	3.530	10	20	HHCD	
COC(=O)c1ccc(N2CCCC2)c(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	729032975	FPPYEWQDDXBBII-AWEZNQCLSA-N	413.474	3.670	10	20	HHCD	
COC(=O)c1ccc(N2CCCC2)c(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	729032977	FPPYEWQDDXBBII-CQSZACIVSA-N	413.474	3.670	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1F	731346384	VNCYHNYBXORUEW-JOCHJYFZSA-N	411.521	3.983	10	20	HHCD	
COc1ccc(CSCC(=O)NCc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-]	734405007	OJQNEYPOFJWCPZ-UHFFFAOYSA-N	403.504	3.527	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1	734661513	KUNLIPBKOFGQOP-INIZCTEOSA-N	409.534	3.905	10	20	HHCD	
NS(=O)(=O)CCSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1	735795063	GEBFHOIEMDUMSN-UHFFFAOYSA-N	407.948	3.632	10	20	HHCD	
Cn1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(Cl)c2ccccc21	735828133	GWWJTYLMEJTMSZ-UHFFFAOYSA-N	411.933	3.970	10	20	HHCD	
O=Cc1cccc(OCCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	742799949	OGNISUIREQAEOP-QGZVFWFLSA-N	418.440	3.655	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1	743278358	OEYUUCYLAUEBOC-UHFFFAOYSA-N	423.344	3.946	10	20	HHCD	
CCN(CC(=O)N[C@@H](C)c1ccccc1OC)Cc1cc(Br)ccc1O	743870981	KOWBQQQIPNTNSO-AWEZNQCLSA-N	421.335	3.863	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1	746775063	BRJOSUDIXWIKOD-UHFFFAOYSA-N	423.557	3.795	10	20	HHCD	
CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)C1	747086686	VENWWQXQRNQAOJ-RUZDIDTESA-N	422.525	3.567	10	20	HHCD	
CCCn1c(/C(Cl)=C\c2cccnc2)nc2cc(S(=O)(=O)N(C)C)ccc21	747190205	MTEKPNISZQFOPG-LFIBNONCSA-N	404.923	3.829	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c[nH]1	753137765	JYYQJCOQPPVOFF-NSIKDUERSA-N	408.888	3.869	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cnccc1-c1cccc(F)c1	753554253	MMDYQFCZQWQCER-UHFFFAOYSA-N	418.472	3.743	10	20	HHCD	
C[C@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)c(Cl)c1O	756527536	ZOZDZJZTXPTPCT-OVWNDWIMSA-N	408.285	3.604	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(Br)cc1O	756544764	VPEMGPRYLFKLJE-ZYHUDNBSSA-N	402.235	3.523	10	20	HHCD	
Cn1nc(C(F)(F)F)c(/C=C2/SC(=S)N(c3cccnc3)C2=O)c1Cl	758912755	YFSNTLGBLIYNDM-WEVVVXLNSA-N	404.826	3.893	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc([C@@H]2CCCO2)s1	760397891	MYAUQFJFGKSTTO-BBRMVZONSA-N	423.485	3.995	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1	763564320	OUCFENKPMUEFEZ-UHFFFAOYSA-N	405.458	3.701	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3ccc(-n4cccn4)cc3)CC2)cc1	764683597	MATJSNBZPIKBEA-OAQYLSRUSA-N	419.573	3.744	10	20	HHCD	
COc1cc2c(cc1CN[C@@H](C)c1ccc(N3CCOCC3)c(F)c1)O[C@H](C)C2	764841381	PDVAYDFLOFJZLD-CVEARBPZSA-N	400.494	3.845	10	20	HHCD	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	765033596	YRISUSISQVFDGR-SFHVURJKSA-N	411.502	3.957	10	20	HHCD	
CC(C)n1cc2c(n1)[C@H](NC(=O)NCc1cccc(Br)c1O)CCC2	765539140	XOCNDUAZEMMHME-OAHLLOKOSA-N	407.312	3.809	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCc3csc(C(C)(C)C)n3)CC2)cc1F	765758664	LCRUCOZAEOETBP-UHFFFAOYSA-N	420.554	3.663	10	20	HHCD	
O=S1(=O)CCC(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CC1	767199793	OIUZKAMLKRULFI-SFHVURJKSA-N	406.573	3.646	10	20	HHCD	
COc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnc1Cl	767670474	DTWLKVYUXNXPKG-UHFFFAOYSA-N	409.939	3.555	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	769397030	STEQLNBARYWPQU-HOTGVXAUSA-N	411.493	3.856	10	20	HHCD	
Cc1ccc(N(Cc2ccco2)C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1C	769801796	BMWJFTSEUCLNLF-UHFFFAOYSA-N	414.483	3.821	10	20	HHCD	
O=C(Nc1cccnc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1	770271530	QBSCQAMHJFFSCF-CQSZACIVSA-N	406.280	3.763	10	20	HHCD	
CC(=O)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC12CCCCC2	770292517	MCHSRVCFBZNDQF-UHFFFAOYSA-N	414.550	3.952	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nn1-c1ccccc1	772585193	KRZRKCIPGSKVFE-UHFFFAOYSA-N	419.529	3.711	10	20	HHCD	
COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775405616	SSQAZHOTHXHRAQ-AWEZNQCLSA-N	403.504	3.890	10	20	HHCD	
COc1cc(O)c(CN[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1OC	776252744	XDVFCGOLXSFBKR-HJPURHCSSA-N	401.503	3.824	10	20	HHCD	
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1	777266142	NTFSBFUHAKCNHU-IEBWSBKVSA-N	404.555	3.541	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cnn(CC(F)F)c1	777665707	PANBBMWYMPIRCZ-UHFFFAOYSA-N	424.498	3.951	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1ccccc1SCc1cn2ccccc2n1	778922676	KTVSGHCYEFJATK-UHFFFAOYSA-N	405.479	3.968	10	20	HHCD	
CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)oc12	785539862	SBPQJPXAOZDJFH-MRXNPFEDSA-N	423.513	3.733	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1OC(F)F	787873165	VEUGVFBDHITSDE-GOSISDBHSA-N	419.472	3.546	10	20	HHCD	
CC(=O)Nc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cn1	789294244	HVQGGXNEYFOHRU-UHFFFAOYSA-N	421.501	3.611	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1	789837491	XMJXDUFNDYGUSJ-CQSZACIVSA-N	418.515	3.567	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)cc1Br	792702910	IIIMIQRZGIYCPV-UHFFFAOYSA-N	404.307	3.686	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c(F)c1	795608476	CMORPPQUBAMDDP-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
C[S@@](=O)Cc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	796526394	MPVABWYDFKGXEC-MUUNZHRXSA-N	401.532	3.753	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)CNC(=O)OC(C)(C)C	797194061	OWQRPOOOUFOXAE-GFCCVEGCSA-N	415.328	3.664	10	20	HHCD	
Cn1cc(/C=C\C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)cn1	799380682	FXSJLWVBBVCOFA-DJWKRKHSSA-N	420.698	3.806	10	20	HHCD	
C[C@H](NCCCn1cc(Br)cn1)c1ccc(Br)cc1O	806658617	VPAMIGMGNUANOQ-JTQLQIEISA-N	403.118	3.855	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1nc(C2CCOCC2)cs1	806728693	QEXOWBYVMSMURG-UHFFFAOYSA-N	412.309	3.827	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1CCC(F)(F)CC1	806772114	KJDJVQNJHDKHGD-UHFFFAOYSA-N	407.505	3.577	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnn(C)c3-c3ccccc3)CC2)cc1F	806778600	MAWKFXOYTFZEIJ-UHFFFAOYSA-N	409.465	3.589	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1N1CCCCC1	809697201	DFPOOOMHXQLCEQ-HZPDHXFCSA-N	401.429	3.578	10	20	HHCD	
COCC(C)(C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	816982850	XHGFRECGHBPWIJ-UVTDQMKNSA-N	412.602	3.518	10	20	HHCD	
Cc1sc(NC(=O)CN2CCCC2=O)c(C(=O)OC(C)C)c1-c1ccccc1	913193395	LWYRQCATWLRQTJ-UHFFFAOYSA-N	400.500	3.850	10	20	HHCD	
Cc1sc2ncn(CCC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c(=O)c2c1C	914439582	JMNJGZISOGSGNL-UHFFFAOYSA-N	424.570	3.722	10	20	HHCD	
COc1ccc(N2CCCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1	917209982	IAKUAEHCLINDMX-MRXNPFEDSA-N	423.473	3.927	10	20	HHCD	
COc1cccc(NC(=O)COc2ccc(C(=O)N(C)Cc3ccccc3O)cc2)c1	917309431	WSKYTNQYCJUEEY-UHFFFAOYSA-N	420.465	3.691	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CC(=O)NCc3ccc(N4CCSCC4)cc3)cc2)n1	917386338	MHWVQNKPHAUAAS-UHFFFAOYSA-N	420.582	3.901	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cccc(Cn4ccnc4)c3)cc2F)C[C@@H](C)O1	917710664	CNGYRFIZGFBUNW-HDICACEKSA-N	422.504	3.614	10	20	HHCD	
Cc1cc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c(C)n1-c1ccccn1	918373481	APZVVQOYVGSJBW-UHFFFAOYSA-N	408.527	3.539	10	20	HHCD	
CC(C)C(=O)Nc1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	920866698	GNYWZGVEKFRFGD-SFHVURJKSA-N	424.545	3.678	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)c(C)n1-c1ccc(C(C)C)cc1	1116083715	LGTZTZHYGMUMFE-FQEVSTJZSA-N	405.546	3.960	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)NC(N)=O)c2)c1	1256720109	NBMOVCDGLXMTAO-UHFFFAOYSA-N	410.861	3.808	10	20	HHCD	
CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)s1	301919447	BZSOOVKDVFMIPX-UHFFFAOYSA-N	421.475	3.974	10	20	HHCD	
Cc1c(CNC(=O)c2cc(S(C)(=O)=O)ccc2OC(C)C)n(C)c2ccccc12	471234721	CEXAOLDOMBQOSW-UHFFFAOYSA-N	414.527	3.607	10	20	HHCD	
COc1ccccc1N(Cc1ccccc1O)C(=S)Nc1ccc(C(N)=O)cc1	726443596	IRHONDVUCJQSIN-UHFFFAOYSA-N	407.495	3.903	10	20	HHCD	
CC1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cn2)CC1	727103780	URVJQLBWAYQQJL-IBGZPJMESA-N	408.546	3.646	10	20	HHCD	
O=C1Nc2ccc(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)c3cccc1c23	727245665	AWXXJFKBGOAFPU-UHFFFAOYSA-N	408.464	3.725	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1	729880307	VKVPFJYRHANJNK-UHFFFAOYSA-N	415.362	3.662	10	20	HHCD	
CO[C@](C)(C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1	730174824	OXTAKVGGGFFVES-QZMQVMSPSA-N	400.494	3.617	10	20	HHCD	
Cc1cc(CC(=O)NCc2nnnn2-c2ccccc2)c(C)n1-c1ccc(Cl)cc1	730497764	ANZIBWFPTSQPPL-UHFFFAOYSA-N	420.904	3.582	10	20	HHCD	
Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1C(=O)NC(C)C	731281524	LZZVCJOHHWOXIO-SFHVURJKSA-N	424.545	3.853	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)c1ccccc1OCC(=O)NC	731282161	IXNVBSLSZJAAGU-LJQANCHMSA-N	413.518	3.590	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@H]3CN3CCCC3=O)ccc21	732021670	WBOQOAQUFBQYOQ-FQEVSTJZSA-N	411.546	3.522	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](c2nnc(S)n2C)C1	732077452	LJWXHUUFFIPEDR-AWEZNQCLSA-N	401.561	3.593	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1	734405635	VDYHFRHVVOUOJY-UHFFFAOYSA-N	402.494	3.987	10	20	HHCD	
Cc1ccc([C@H]2CSCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	734941212	BESCYLAJHNBYPQ-JOCHJYFZSA-N	411.571	3.831	10	20	HHCD	
CS[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)C1	735265618	KQIFMIBSVXJFID-QWHCGFSZSA-N	424.478	3.774	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cnc1Cl	735408339	VSTMVWRMOUPZAW-UHFFFAOYSA-N	407.904	3.903	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(CC4CCOCC4)CC3)c2C)cc1	736319303	YBCDTZODSPAHPV-UHFFFAOYSA-N	409.574	3.629	10	20	HHCD	
Cc1ccc(-c2nnco2)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	736986897	YXJCJDZEGSLNOW-UHFFFAOYSA-N	407.474	3.546	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccccc1CN1CCSCC1	741064767	LTICYBXIHCGVQO-UHFFFAOYSA-N	408.571	3.933	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	741077912	AWOOXOZHMQRPPX-HBMCJLEFSA-N	417.619	3.975	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCNC(=O)CC(C)C)cc1	741689706	GKSVHSHDERFBOG-UHFFFAOYSA-N	411.546	3.847	10	20	HHCD	
Cc1cc(C)nc(SCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	742800083	FOEGGRKXLIBQBQ-OAHLLOKOSA-N	422.501	3.572	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c[nH]cc1-c1ccc(F)cc1	743315226	XBFHTTYWFBDBMG-UHFFFAOYSA-N	411.452	3.851	10	20	HHCD	
Cc1cccc(F)c1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	743554824	LZNHHQGWHVLUNC-HZPDHXFCSA-N	403.473	3.886	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c(C)n1-c1ccc(F)cc1	747210270	NXQUUSIOXQTXSB-UHFFFAOYSA-N	421.472	3.537	10	20	HHCD	
COC(=O)[C@](C)(NCc1cc(F)cc(C(C)=O)c1O)c1cccc(Br)c1	750819671	GARRGXINOARKQK-LJQANCHMSA-N	424.266	3.674	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3ccc(-c4ccc[nH]4)cc3)CC2)cc1	752785464	YLVCJYNLIFVAHS-UHFFFAOYSA-N	419.529	3.634	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1	753978625	RVISXMQKPNPSEX-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
Cc1noc(C)c1[C@H](C)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	754154895	DIRYOTROCRJDHO-GXTWGEPZSA-N	417.465	3.745	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)CO[C@@H](C)c3ccc(Cl)cc3)CC2)cc1F	754180302	TXJPAVNHPVATEF-OXJNMPFZSA-N	422.928	3.748	10	20	HHCD	
C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccc(S(=O)(=O)N(C)C)cc1	756449951	PHMLKBHIEOWEJV-HOTGVXAUSA-N	402.560	3.933	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1Cl	757856817	OBWNTBFSVPQCNY-UHFFFAOYSA-N	415.921	3.662	10	20	HHCD	
CCC(CC)NC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc2O1	758960824	XWXMGHGPYYFAAO-RDELFYGPSA-N	413.905	3.847	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc3c(c2)CCC(=O)N3C)cc1	759862047	NDPGPMAGQSMPMV-UHFFFAOYSA-N	419.447	3.866	10	20	HHCD	
CC(C)CCC1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1	760159877	RESZJKXIGNWYHT-NRFANRHFSA-N	414.594	3.746	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4cc[nH]n4)s3)cc2F)C[C@@H](C)O1	761578028	UDQZWIYKBICKTB-ZIAGYGMSSA-N	414.506	3.821	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4c(F)cccc43)cc2F)C[C@@H](C)O1	764685622	RVLUXFQVWSPSRB-GASCZTMLSA-N	401.457	3.851	10	20	HHCD	
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cccc(Br)c2O)C1	769201394	HAIFEKOTZVAERK-OAHLLOKOSA-N	408.271	3.690	10	20	HHCD	
Cc1ccc(SC[C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	770344458	LLFQFJUKXNWGBB-QGZVFWFLSA-N	417.550	3.951	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	770346951	DDMXLLRJYOEYPD-JOCHJYFZSA-N	403.434	3.525	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cccc(OC[C@@H]2CCCO2)c1	771878492	KBMOKTISSMCFPT-SFHVURJKSA-N	416.861	3.572	10	20	HHCD	
Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(Br)c1	773856806	LMQCTHTYOKNLAX-CQSZACIVSA-N	418.335	3.948	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)c1O	775058035	RDNMDSGWNVLOPC-UHFFFAOYSA-N	423.510	3.778	10	20	HHCD	
CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)ccc1O	775555979	TZOKXPFNUXXQIE-UXHICEINSA-N	402.922	3.556	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc(Cl)ccc1O	775580906	NDTBYGKPKMCGHS-QGZVFWFLSA-N	412.914	3.966	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1	775620124	BARJLXHYRPWNPG-SMOSDQRPSA-N	421.557	3.975	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCCCSc2nccs2)C1	779363354	DYMALUNRUDOOJZ-KGLIPLIRSA-N	414.597	3.570	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3noc4c3CCCCC4)cc2F)C[C@@H](C)O1	780398293	WPHCZDZELNUGPI-GASCZTMLSA-N	401.482	3.626	10	20	HHCD	
COc1cc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1OC	784058129	LPBYOXLOJGNQEZ-UHFFFAOYSA-N	411.502	3.899	10	20	HHCD	
C[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(N2CCOCC2)c(F)c1	785568900	RMZKOQYZFPTYCW-DYESRHJHSA-N	403.542	3.637	10	20	HHCD	
Cc1ccnc(-c2n[nH]c([C@H](C)NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)c1	785595934	OYNZVZDTIQRKKV-INIZCTEOSA-N	421.505	3.924	10	20	HHCD	
COCCc1ccccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	786199833	XOXHYYFNKXWILV-IAGOWNOFSA-N	415.509	3.950	10	20	HHCD	
COCCc1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	786422596	NPNFWABVGLBFSZ-UHFFFAOYSA-N	410.514	3.881	10	20	HHCD	
COc1ccc(F)c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1OC	788234851	CFRVZKUKYBBLFV-UHFFFAOYSA-N	401.482	3.626	10	20	HHCD	
C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	788925420	GUCAZANXPSGFLD-HNNXBMFYSA-N	414.481	3.751	10	20	HHCD	
CC1(C)CC[C@@](NCc2ccc(N3CCOCC3)c(F)c2)(C(=O)O)c2ccccc21	789904403	VXIOLJTWXJFVCJ-DEOSSOPVSA-N	412.505	3.803	10	20	HHCD	
C[C@@H](NC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	790487122	JNUVHLLJIXXPNR-HXUWFJFHSA-N	423.557	3.975	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2nccnc2cc1F	791610998	HTGAULXGRLOBMH-CYBMUJFWSA-N	416.403	3.769	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2nccnc2cc1F	792223834	GUQVAKMNUONSNS-UHFFFAOYSA-N	404.239	3.899	10	20	HHCD	
CCOc1cc(C(=O)NCc2ccc(OC)cc2O)ccc1OCc1cccnc1	794381401	MKQBDOREUAHEMO-UHFFFAOYSA-N	408.454	3.704	10	20	HHCD	
COc1cc(O)c(CNCc2ccc(I)c(C)c2)cc1OC	798955018	ILBCWPYLFAXMAV-UHFFFAOYSA-N	413.255	3.612	10	20	HHCD	
C[C@@H](NCCCNC(=O)/C=C/c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	800507190	VBMNAANJEACEFX-UFUQCMIWSA-N	411.521	3.533	10	20	HHCD	
CSCC[C@@H]1NC(=S)N(Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1=O	800722492	XVJBMWIOTVTZLX-BBRMVZONSA-N	412.024	3.915	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cc(F)ccc3Cl)cc2F)C[C@@H](C)O1	800870812	WNDSKUGHZPLRTH-OKILXGFUSA-N	424.875	3.927	10	20	HHCD	
Cn1nnc2c(C(=O)OCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)ccnc21	801499058	ZKZKGNWAVIJQCJ-UHFFFAOYSA-N	415.413	3.574	10	20	HHCD	
Cc1ccc(C2=NO[C@H](CNC(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1C	801993614	YLFZPGCUZDJHGX-QFIPXVFZSA-N	406.530	3.896	10	20	HHCD	
COc1ccc(C2=NO[C@@H](CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)cc1C	802298548	SWBVOJBBZQFTAS-OXQOHEQNSA-N	410.518	3.623	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1	803324604	VIEOKEDSDAICRK-UHFFFAOYSA-N	406.530	3.516	10	20	HHCD	
Cc1c(C(F)(F)F)nn(C)c1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	806422746	CTQQCEXXQILNGC-AWEZNQCLSA-N	412.412	3.666	10	20	HHCD	
CCOC(=O)c1c(NC(=O)c2cc3n(n2)CCO3)sc(C)c1-c1ccc(F)cc1	812844173	NOFQTSPLNNGSBA-UHFFFAOYSA-N	415.446	3.881	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1OCCc2sccc21	813868412	GKBSXHGCYXNPTP-QFYYESIMSA-N	411.321	3.718	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3c(C(C)=O)oc4ccccc34)CC2)cc1	856896059	QIDHPIDDFKDDBC-MRXNPFEDSA-N	421.497	3.793	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2cc(OC)no2)cc1	857450453	WXMOPAGOPXILFT-UHFFFAOYSA-N	409.486	3.924	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1	915903792	DYAXWOVJDWBHTB-DEOSSOPVSA-N	416.525	3.849	10	20	HHCD	
CN(C)[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCCC1	916449035	RQWGDKNBRLKVAM-OAQYLSRUSA-N	404.624	3.550	10	20	HHCD	
O=C1CCc2cc(F)c(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2N1	916681024	VRMWFGAPQXSTOI-INIZCTEOSA-N	413.449	3.629	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1F	918250679	UFXVUQUNQVAVNO-UHFFFAOYSA-N	423.488	3.929	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	921077063	MOEULTAHBFFZTO-SFHVURJKSA-N	414.500	3.891	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](C(N)=O)c3ccc(Cl)cc3)c2C)cc1	1124082461	NISXETPPSQFYJF-FQEVSTJZSA-N	411.889	3.713	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)C(C)(C)Cc3nc4ccccc4[nH]3)CC2)cc1	1321642208	LRZYBLBYLHTHRI-UHFFFAOYSA-N	406.530	3.879	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CSc1ccc(Cl)cc1	27833566	GNRJQKASCHGRJE-UHFFFAOYSA-N	406.935	3.700	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCOc3ccccc3)cc2F)C[C@@H](C)O1	108443364	ZLZUSUWQBMIRKV-HDICACEKSA-N	415.509	3.708	10	20	HHCD	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2c(F)cc(F)cc2F)c1	303950878	ZBSOILDZVOLALN-UHFFFAOYSA-N	413.399	3.848	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n(C)c2ccccc12	510385082	RVMQMEHTODNZHF-IEBWSBKVSA-N	407.489	3.695	10	20	HHCD	
CC(=O)c1cccc(OCc2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)no2)c1	538861322	FVSIXBCAZHMTQY-UHFFFAOYSA-N	421.453	3.561	10	20	HHCD	
CC[C@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	702617198	ZUNFDRQPBWOZQS-FPOVZHCZSA-N	419.363	3.832	10	20	HHCD	
COc1ccc(N(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C(C)C)cc1F	725816558	XWNYNYNCRCIDGJ-NRFANRHFSA-N	404.457	3.788	10	20	HHCD	
COc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cn1	726897707	OTFYNRXLHIXPIB-LJQANCHMSA-N	400.548	3.534	10	20	HHCD	
COCCOc1ccc(F)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	727590648	CJOOPZWYDBJOSS-GOSISDBHSA-N	418.465	3.770	10	20	HHCD	
CN1CCCc2cc(CNS(=O)(=O)c3ccc(F)cc3C(F)(F)F)ccc21	728584501	CPOKFORUQXCYED-UHFFFAOYSA-N	402.413	3.705	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cn2ccc(C(F)(F)F)n2)cc1	728839507	GWRIGMMQRSHDEI-UHFFFAOYSA-N	408.346	3.559	10	20	HHCD	
CN(C)c1ccc(CN(CN2C(=O)CN(c3ccccc3)C2=O)CC(F)(F)F)cc1	728903960	CXGQXEXHEGCRIN-UHFFFAOYSA-N	420.435	3.543	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(I)c2)c1	729037420	WGTUUYBSIOASIM-JTQLQIEISA-N	412.227	3.888	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCN(c4cccc(O)c4)CC3)cc2)CC1	731120822	DUPGYPWYYWOZJV-UHFFFAOYSA-N	408.546	3.660	10	20	HHCD	
CCCCN1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	731221121	CBAMBCSERVYBPB-DENIHFKCSA-N	402.583	3.538	10	20	HHCD	
CCn1c(S)nnc1CCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	731443040	SMLRRZJCTBBTAI-UHFFFAOYSA-N	403.939	3.620	10	20	HHCD	
Cc1cc(C(=O)NCCCC(=O)N2CCc3ccccc32)c(C)n1-c1ccccn1	732175981	IDLSVBNIFOGQGY-UHFFFAOYSA-N	402.498	3.588	10	20	HHCD	
O=C(Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1)c1cc(O)cs1	732271869	XILILLVZLITDQX-UHFFFAOYSA-N	421.522	3.597	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(F)c1	732433494	KYQBQZUOVLFVAS-INIZCTEOSA-N	402.422	3.531	10	20	HHCD	
Cc1cc(C(=O)OCc2csc(CC(=O)OC(C)C)n2)c(C)n1-c1ccccn1	733435559	OCBLMSFZYDTDPB-UHFFFAOYSA-N	413.499	3.797	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)s1	734740480	NRPBPFZUNVYDPK-UHFFFAOYSA-N	410.502	3.901	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(C)cc2OCc2ccccc2)c1O	737286166	RPNWPEGGXIWFDN-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	739700565	SETHKBUBCLWLDE-RTBURBONSA-N	419.591	3.549	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(-c2ccccc2)o1	740029781	BOHZZGNMTMJUIF-MRXNPFEDSA-N	424.476	3.878	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	742280976	OBDVKJYUHQWNRB-MRXNPFEDSA-N	401.507	3.788	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)NC(=O)OC(C)(C)C)cc1	742749691	KENBIHFONKHQTA-LWCVALJOSA-N	401.551	3.871	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N[C@H](c3ccc(C)cc3)C3CC3)CC2)cc1	743358650	NMUIILAGFNVADC-XMMPIXPASA-N	422.573	3.576	10	20	HHCD	
C[C@H](OC(=O)[C@@H](C)c1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	745130251	YRRUXXVTQVJFNN-KBPBESRZSA-N	417.417	3.729	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1O	745662548	AMHWELJVPVBVKE-INIZCTEOSA-N	407.470	3.935	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)ccc21	746879948	LMBVHVDOVNIMAR-LJQANCHMSA-N	424.520	3.768	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1Cl	748091901	QKPMCVAJNODYJZ-UHFFFAOYSA-N	408.892	3.618	10	20	HHCD	
Cc1cc(CCNC(=O)NCCCNC(=O)c2cccs2)c(C)n1-c1ccccc1	749019170	WMLPTVAVUCFPNF-UHFFFAOYSA-N	424.570	3.817	10	20	HHCD	
CSc1ccc(Cl)cc1NC(=O)C(=O)NCCCSc1nccs1	749730486	RJLBMNYDKISJAC-UHFFFAOYSA-N	401.966	3.756	10	20	HHCD	
COc1cc(CCC(=O)NCc2ccc(N(C)C)cc2)ccc1OCC(F)(F)F	749785783	OWTJAHYVADJBTH-UHFFFAOYSA-N	410.436	3.951	10	20	HHCD	
CC[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(OC)cc1	751663388	CBFUXMHHUQJIMN-CTNGQTDRSA-N	423.557	3.597	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	752656204	FRSOZZVDHOIQJX-UHFFFAOYSA-N	410.518	3.926	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3[C@H]3CCCCC3=O)c2C)cc1	752904027	DUIYOTIKXGGALR-IRLDBZIGSA-N	410.514	3.703	10	20	HHCD	
CC(C)C1CCC(N2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)CC1	753389468	XDBNSGCNCCPVSZ-UHFFFAOYSA-N	414.638	3.543	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1	753789038	RXICJVTUEKEOFU-JTQLQIEISA-N	409.236	3.871	10	20	HHCD	
CC(C)(C)O[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	753949953	ISNUQQBMWUUAEC-IFMALSPDSA-N	423.557	3.561	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1F	755070004	YWQMSTDGQRSVJO-AWEZNQCLSA-N	403.479	3.707	10	20	HHCD	
O=C(COC(=O)c1cccc(O)c1O)Nc1cccc(CSc2ccccn2)c1	758582280	RFOUGUJAPAAERJ-UHFFFAOYSA-N	410.451	3.581	10	20	HHCD	
COc1cc(CNC(=O)NCCCSc2nccs2)ccc1OC(F)F	759545501	BZOSGKQSLZRWFH-UHFFFAOYSA-N	403.476	3.735	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NCCCSc2nccs2)C1	760333595	SXZVWXYSJPQKSK-GFCCVEGCSA-N	421.535	3.634	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)CC(F)F)c(C)n1-c1ccccc1Br	760678166	OVTXBHZAHYNPKL-LBPRGKRZSA-N	401.251	3.603	10	20	HHCD	
COCCn1cc2c(n1)[C@@H](N[C@H](C)c1cc(Br)cc(F)c1O)CCC2	760891439	ITFSWCIQMCXLGH-BZNIZROVSA-N	412.303	3.865	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCOC4(CCCCCC4)C3)CC2)cc1	764353856	QMOQUHVFNXMHKY-UHFFFAOYSA-N	401.551	3.799	10	20	HHCD	
C[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(N2CCCCC2)c(F)c1	764655947	ZWMLOJUUAHHHDT-KRWDZBQOSA-N	416.541	3.721	10	20	HHCD	
COc1cc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc(OC)c1OC	764949125	ZUSGKNKMHWKKFK-SJORKVTESA-N	400.519	3.961	10	20	HHCD	
C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1CCCN(C2CCC2)C1	765534938	FSLCLBZKCJRAGL-HIFRSBDPSA-N	410.356	3.607	10	20	HHCD	
C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	768815852	LKMDFBOYLYFCFH-KRWDZBQOSA-N	409.509	3.821	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)c2)CC1	770143149	MKMHKKMWLWVMLT-HNNXBMFYSA-N	410.543	3.514	10	20	HHCD	
CN(C)c1ccc(CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C2CC2)cc1	771790376	BLDZVKNMTWJLDR-UHFFFAOYSA-N	402.542	3.783	10	20	HHCD	
CCCCn1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C	772488993	LKWZGDVMTAKWIQ-GOSISDBHSA-N	404.942	3.745	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC2(CC1)OCCc1ccsc12	778673612	BGRNFVOTXCZIKF-UHFFFAOYSA-N	409.555	3.898	10	20	HHCD	
COc1cccc(C(=O)NCCN[C@H](C)c2cc(Br)cc(C)c2O)c1	779017521	KQEFDUWZCOTYPV-CYBMUJFWSA-N	407.308	3.552	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCn3ccnc3C2)c(C)n1-c1ccccc1Br	779213993	POGOWGCQZLXAOB-OAHLLOKOSA-N	413.319	3.798	10	20	HHCD	
Cc1ccccc1-n1nccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784105688	GYAFJUIUAXONCO-UHFFFAOYSA-N	417.513	3.925	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1	786259992	UEMNZYLUYDHVTJ-UHFFFAOYSA-N	420.340	3.521	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ccc(C)o4)s3)cc2)CC1	786660807	KLYGDFJPQFLVCD-UHFFFAOYSA-N	423.538	3.915	10	20	HHCD	
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	789036677	GVHCXSDJYQCKMK-GOSISDBHSA-N	420.513	3.922	10	20	HHCD	
CCc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CCO2)cc1	790249627	QUUGFCCCHHKAQF-CYFREDJKSA-N	423.557	3.930	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc(N(C)C)cc1F	791246992	SOSIWQMQRIRWJK-UHFFFAOYSA-N	415.509	3.894	10	20	HHCD	
CN(C)c1ccc(CN[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(C(F)(F)F)c1	792996926	JCXYPXGLUDIALQ-UGKGYDQZSA-N	421.507	3.744	10	20	HHCD	
CC(C)n1ccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1	795510901	ATWSEGDQCBIQMB-AWEZNQCLSA-N	402.454	3.679	10	20	HHCD	
O=C(c1ccccc1F)c1cc(Cl)ccc1N[C@H]1CCN(C2CCOCC2)C1=O	799967743	MPNOGBFZDSPJLS-FQEVSTJZSA-N	416.880	3.902	10	20	HHCD	
C[C@@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	800506214	QMGMFFDSZGUAJM-XXBNENTESA-N	421.516	3.916	10	20	HHCD	
COc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806332471	OAYVIHXLBJIPOT-UHFFFAOYSA-N	412.273	3.731	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3nccnc3c2Br)c1	806674423	ACPUHIRGOYAFOT-JTQLQIEISA-N	417.263	3.989	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cnn(C)c3-c3ccccc3)CC2)cc1	806776303	HVZOQEQVEGQHMN-UHFFFAOYSA-N	405.502	3.840	10	20	HHCD	
CCOc1ccc(-n2c(SCC(=O)C(C)=O)nnc2-c2ccc(OC)cc2)cc1	808013954	BXHWOWKZMXSFMC-UHFFFAOYSA-N	411.483	3.592	10	20	HHCD	
COC(=O)CCN(Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CCOCC1	809584436	PIAQZXVNSWWOFZ-UHFFFAOYSA-N	408.542	3.793	10	20	HHCD	
COc1cc(C(=O)N(C)C)ccc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	809659117	IASBFYJXZOCDTH-UHFFFAOYSA-N	412.490	3.908	10	20	HHCD	
C[C@@H](NCc1cccc(N2CCOCC2)c1)c1ccc(N2CCOCC2)cc1Cl	815637547	ADUSFLYBPDABNW-GOSISDBHSA-N	415.965	3.864	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ncccc2Cl)NC(=O)OC(C)(C)C)cc1	815710629	RBIJOCYOBRRBRA-QGZVFWFLSA-N	418.925	3.797	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Cl)c(F)cc3Cl)cc2)CC1	816379720	VBROKKZIVFVKNC-UHFFFAOYSA-N	424.303	3.731	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(NCC2CC2)nc1	857472913	PKZNIAXMOPRKKO-IBGZPJMESA-N	414.937	3.657	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)n2)c(C)c1	906471546	PASUDAJZUPLYDY-UHFFFAOYSA-N	422.553	3.631	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	916505728	AWCQKOMJNBNSBW-KCZVDYSFSA-N	417.594	3.841	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)Cc1ccccc1	916983195	ITGAGQFTOGEPAR-RTBURBONSA-N	413.537	3.578	10	20	HHCD	
CS(=O)(=O)C[C@H]1CCCN(Cc2c(O)ccc3cc(Br)ccc23)C1	917463141	PPESEUOPNCADJA-ZDUSSCGKSA-N	412.349	3.565	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Cl	918457754	XBWXSVUEIKKVIV-UHFFFAOYSA-N	415.921	3.934	10	20	HHCD	
Cc1ccc(-c2nc(CC(=O)NCc3ccc(N4CCOCC4)cc3)cs2)cc1	919766980	FGLXHYOMSQGLPK-UHFFFAOYSA-N	407.539	3.814	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1	920811504	DPVVCRUTAPTRBK-UHFFFAOYSA-N	404.536	3.534	10	20	HHCD	
C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1	920879119	GWZGALPIDHNNCJ-KRWDZBQOSA-N	424.501	3.523	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3csc(Nc4ccccn4)n3)CC2)cc1	1319624393	JMTKGNLSQCHHHU-UHFFFAOYSA-N	409.515	3.643	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C[C@@H](C)S1(=O)=O	1323306124	REMVECZNIFZGJC-NVXWUHKLSA-N	408.951	3.785	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CCCC12CN(C(=O)C13CCC(CC1)CC3)C2	1845502584	PNRZWMSKIVQGFC-UHFFFAOYSA-N	418.921	3.539	10	20	HHCD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1	21460745	QZBHYUPPKBZCIJ-ZDUSSCGKSA-N	403.390	3.547	10	20	HHCD	
O=C(CCOc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCOCC2)cc1	56199578	KTSUIZXCGLENKR-UHFFFAOYSA-N	409.313	3.915	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3noc(COC(C)C)n3)ccc21	461392171	YANKJLFHMDPBBG-HNNXBMFYSA-N	414.506	3.704	10	20	HHCD	
CC1(C)CC(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC(C)(C)N1	726610153	IRHIMKLUAKPSOQ-UHFFFAOYSA-N	424.536	3.865	10	20	HHCD	
COCCOc1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(C)c1	726696144	QPZGOACIDMMGFU-UHFFFAOYSA-N	413.518	3.819	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1	728981525	CDUQFQPQOKTWCS-ROUUACIJSA-N	410.514	3.747	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3oc(Br)cc3C)cc2F)CC1	730193200	ZABFJVHVXUTMBY-UHFFFAOYSA-N	424.314	3.562	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1	732993292	DTEMRARXRDAUCL-HXUWFJFHSA-N	419.447	3.987	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c1	734174418	GCKXPPSQBIWYDB-GFCCVEGCSA-N	416.865	3.707	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Oc2ccncc2)c1	737116647	HHSSFBSANIASFF-UHFFFAOYSA-N	404.470	3.537	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	742280975	OBDVKJYUHQWNRB-INIZCTEOSA-N	401.507	3.788	10	20	HHCD	
O=C(NCc1nc(-c2cccc(Cl)c2)no1)NCc1c(O)ccc2c1CCCC2	743617385	QUIQWEDITKDLKE-UHFFFAOYSA-N	412.877	3.974	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc(OC)ccc1OC	745434943	SDJSKUSBYGVMDQ-UHFFFAOYSA-N	423.307	3.904	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O	745881697	KYSLZSYDULYZJW-XMSQKQJNSA-N	408.546	3.867	10	20	HHCD	
COCCN(Cc1ccco1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745906159	XTLSDPAOHQMRHH-MRXNPFEDSA-N	423.460	3.708	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1	746776293	ZDUFKSJLILNXCU-UHFFFAOYSA-N	409.364	3.585	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)/C=C/c3ccc(F)cc3)cc2F)C[C@@H](C)O1	747248235	LTXGOMQEUIYVAS-WTBPUQPLSA-N	422.497	3.669	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCc2nnc(-c3ccccc3)o2)cc1	749202322	FHTREKAUSIKOEI-UHFFFAOYSA-N	407.518	3.967	10	20	HHCD	
O=C(c1ccc(Br)c(O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	750824946	FDRSFCPJHJSLJL-OAHLLOKOSA-N	406.276	3.682	10	20	HHCD	
O=C(NCc1ccco1)[C@@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1O	753536212	GFAUOHAMVIEJKJ-QFIPXVFZSA-N	406.482	3.845	10	20	HHCD	
Cc1cc(CC(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccc(Cl)cc1	754768237	SOZFGKBUGKVKFV-MRXNPFEDSA-N	400.906	3.844	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(COc2ccc3c(c2)OCO3)c1	755013472	QVSVLXSLWJJZAU-UHFFFAOYSA-N	422.437	3.770	10	20	HHCD	
COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	755738002	VZFNJOCVEQFRCF-UHFFFAOYSA-N	415.905	3.507	10	20	HHCD	
C[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)c(Cl)c1O	756647081	PVMQBIIBEQCOHV-QMMMGPOBSA-N	421.268	3.664	10	20	HHCD	
CC[C@H](C)n1ncc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1C1CC1	760688295	WRZLVAVWTTXTKZ-HNNXBMFYSA-N	400.498	3.842	10	20	HHCD	
C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	762515542	UKCXYCYSRPCEPA-MRXNPFEDSA-N	414.531	3.817	10	20	HHCD	
CC(C)(C)OC1CC(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	763482171	VPFVXQQZCRTNTP-UHFFFAOYSA-N	417.594	3.678	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc1	764858186	HEUDUUTUECQOKJ-IBGZPJMESA-N	409.313	3.774	10	20	HHCD	
O=C(CCCOc1ccc(F)cc1F)NCc1cccc(Br)c1O	765750595	JORUNMRQMFTNNV-UHFFFAOYSA-N	400.219	3.908	10	20	HHCD	
Cc1ccc(OC(F)F)c([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1	765980282	YGXAGVKUCKVWOM-INIZCTEOSA-N	424.513	3.682	10	20	HHCD	
COc1ccc(C(=O)C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1	768225233	FIQAISKAGRAUFH-UHFFFAOYSA-N	412.505	3.766	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC(C)(C)c3ccncc3)cc2F)C[C@H](C)O1	768702571	UQCMLCJJNKPOCX-IRXDYDNUSA-N	414.525	3.611	10	20	HHCD	
C[C@H](NS(=O)(=O)/C=C/c1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1	768811359	DHDOEKKYNNTMRJ-IDJPSDCMSA-N	406.935	3.828	10	20	HHCD	
O=C(CCOCc1ccccc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768911172	CXVNMRNTPQBSQT-HXUWFJFHSA-N	402.922	3.733	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(CCOCc2ccccc2)CC1	769865233	NEFMVXLJMDRLHA-UHFFFAOYSA-N	412.505	3.666	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2nc3cc(OC)ccc3n2C)cc1F	770405800	MYDLRYGJLWGCBT-UHFFFAOYSA-N	413.497	3.567	10	20	HHCD	
CC(C)N(CC(=O)NCCc1cnn(-c2ccccc2)c1)Cc1ccc(N(C)C)cc1	771796268	LPNCBGCZSAHBAT-UHFFFAOYSA-N	419.573	3.508	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CCCC2)cc1	771962318	HFJOZQINJDGKRO-HKUYNNGSSA-N	416.566	3.874	10	20	HHCD	
O=[N+]([O-])c1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(F)c1	778074337	LHMFBEJHSPYBFN-UHFFFAOYSA-N	413.371	3.879	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCN(Cc2ccccc2)C1	778799103	DOPXHTVJVHNSRA-CVDCTZTESA-N	406.574	3.779	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCN(C2CCC2)C1	781361587	AYNDZTHBGHFNGQ-AZUAARDMSA-N	416.635	3.692	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)C2CCCCC2)cc1	784060315	CPENVWJLOVLWJE-UHFFFAOYSA-N	424.526	3.617	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cccc(Cl)c1	785192723	OKKQEWYVDBNKIR-UHFFFAOYSA-N	411.683	3.795	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3cc(C)c([N+](=O)[O-])cc3Cl)cc2)CC1	786066790	HBGXOHABJBKLQH-UHFFFAOYSA-N	402.882	3.837	10	20	HHCD	
O=C(NCCc1ccccc1OC(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1	788319812	NLGDMBUCDZLHNP-SFHVURJKSA-N	420.456	3.927	10	20	HHCD	
CN(C)c1ccc(CNCc2cccc(CS(C)(=O)=O)c2)c(C(F)(F)F)c1	792950837	LXDBUAFQJHHRPW-UHFFFAOYSA-N	400.466	3.606	10	20	HHCD	
C[C@H](Cc1ccsc1)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	793792087	PVHHMYCFNCJURR-MRXNPFEDSA-N	400.544	3.862	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@@H](N3CCCC3)C[C@H]2C)c(C)n1-c1ccc2c(c1)OCCO2	796427486	IKKKAFABDBBQBX-UTKZUKDTSA-N	423.557	3.607	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1	797633136	SQQWSZZBWMMRGQ-NSHDSACASA-N	412.421	3.917	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](Cn1ccccc1=O)c1ccccc1	799885876	PKUFSAYDZNESIF-QHCPKHFHSA-N	416.525	3.689	10	20	HHCD	
CC(=O)NCCN(Cc1ccc(Br)s1)Cc1cc(C)cc(C)c1O	799959306	XVIWCFHYZPSAKW-UHFFFAOYSA-N	411.365	3.971	10	20	HHCD	
COc1ccc(C2=NO[C@H](CNC(=O)NCc3ccc(N4CCCC4)cc3)C2)cc1C	801993345	RHQZOQMGPJFRIJ-NRFANRHFSA-N	422.529	3.596	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@@H]3COC(=O)N(C)C)ccc21	804656261	AIBZEUIGJDRVDF-LJQANCHMSA-N	415.534	3.597	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC2(CCOCC2)CC1	806877888	IEEKWINOIWXZKZ-KRWDZBQOSA-N	423.504	3.859	10	20	HHCD	
C[C@H](NC[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1Cl	810245446	BWTCSAAUUDVZQB-LXBDKUERSA-N	400.950	3.993	10	20	HHCD	
CC(=O)Nc1cccc(N2C(=O)/C(=C\c3cn(C)nc3C(F)F)SC2=S)c1	812219665	KXVUZQRRVZKIKP-AWNIVKPZSA-N	408.455	3.722	10	20	HHCD	
Cc1cc(C)c(C)c(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C	819421746	MMZQOGJEWYAGFY-FQEVSTJZSA-N	403.544	3.996	10	20	HHCD	
O=C(CCOc1ccc(F)cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857473232	UTMVTOKZRDRCPT-SFHVURJKSA-N	406.885	3.734	10	20	HHCD	
COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c(OC)c1	914904861	DTUFOODOESJDQH-MRXNPFEDSA-N	408.454	3.935	10	20	HHCD	
COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCCc2cc(OC(F)F)ccc21	919803095	SAXRRLQGNRDWMU-QGZVFWFLSA-N	421.440	3.692	10	20	HHCD	
Cc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1	919969965	LVCYQBVHYMLRDR-UHFFFAOYSA-N	400.544	3.545	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C3(Sc4ccccc4)CC3)cc2F)CC1	1319432933	SCDHKRJJMPDYCI-UHFFFAOYSA-N	413.562	3.909	10	20	HHCD	
CC[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCN(C(=O)OC(C)(C)C)C1	1319567690	QMWYZUIFSVUPCE-QHCPKHFHSA-N	401.551	3.940	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3Cc4ccc(O)cc4C4(CC4)C3)CC2)cc1	1343662348	CCPYOFNBUZOSND-UHFFFAOYSA-N	407.514	3.627	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC2(CCC2)C1)c1cc(O)c(O)c(Cl)c1	1803387772	LUWYBTNVZZCTSO-MUJYYYPQSA-N	418.921	3.583	10	20	HHCD	
CC(C)C[C@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1	15571967	DZAZUXSNEDJSLV-DEOSSOPVSA-N	409.574	3.859	10	20	HHCD	
O=C1N=C(NC2CCCC2)S/C1=C\c1cc2ccccc2nc1N1CCOCC1	23779141	LDBQSXCJZQPVPX-RGEXLXHISA-N	408.527	3.574	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(OC(F)F)cc1	97120910	MGPGUHKZBYZMOV-UHFFFAOYSA-N	404.457	3.716	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCCOc3ccccc3)cc2F)C[C@@H](C)O1	108443369	ZLZUSUWQBMIRKV-QZTJIDSGSA-N	415.509	3.708	10	20	HHCD	
C[C@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccc(N2CCOCC2)cc1	145756982	SJNFOXGBLUXCHR-SFHVURJKSA-N	412.505	3.588	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n(C)c2ccccc12	471198481	GATZKSUTOSAWIO-HOTGVXAUSA-N	407.518	3.817	10	20	HHCD	
Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1ccc(C2=S=CC=C2)o1	541215154	SXBPZMSQIKZJNR-UHFFFAOYSA-N	412.536	3.655	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)n(C)c2ccccc12	575085156	BXLRQWPFFPCGCB-HXUWFJFHSA-N	404.514	3.642	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCN(C)c3ccccc3F)CC2)cc1	726612842	MICXFVNGEVIYCD-UHFFFAOYSA-N	414.525	3.629	10	20	HHCD	
COc1ccc(Cl)cc1NCC(=O)NCc1ccc(N2CCSCC2)cc1	727101010	BCTKZIMORGRSIL-UHFFFAOYSA-N	405.951	3.630	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1	730824012	SWHJLYFRVQNDAY-IBGZPJMESA-N	404.555	3.732	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)NC[C@@H]1CCN(c2ccccc2)C1	731845021	UFNDXVZNQUOTPH-FQEVSTJZSA-N	419.525	3.630	10	20	HHCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	732354424	LUDNDXGTGPCKIN-SECBINFHSA-N	419.440	3.669	10	20	HHCD	
Cc1cc(CC(=O)N(CC(N)=O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1	732769452	IXSUNWULSBWBGH-UHFFFAOYSA-N	409.917	3.804	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)NCCCSc2nccs2)cc1C	733972400	QYFZXGIDXPTVTC-UHFFFAOYSA-N	419.601	3.731	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccs1	734014710	XVBRVHGQSOTLJC-UHFFFAOYSA-N	401.576	3.734	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@@H]2CCOC2)c(C)n1-c1ccc(OC(F)F)cc1	740376769	RGAAROWLJDOOLH-HNNXBMFYSA-N	407.413	3.848	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1	741211586	ITDNYHFVRZCECH-FQEVSTJZSA-N	402.583	3.569	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCN(CCc2ccccc2)C1	743588135	RIBTZYHLLAXSJN-HXUWFJFHSA-N	407.558	3.635	10	20	HHCD	
COc1cc(F)c([C@@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)cc1OC	743611865	QVSUUIRBFWXUEY-CYBMUJFWSA-N	402.466	3.988	10	20	HHCD	
CCN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)c1ccc(OC)cc1	744392157	VPYRLJGGWWHDAF-UHFFFAOYSA-N	421.497	3.708	10	20	HHCD	
CCOc1ncccc1CNC(=O)N(CC)Cc1cc(Br)ccc1O	745473080	QWMIUNMMMAQSNA-UHFFFAOYSA-N	408.296	3.680	10	20	HHCD	
O=C(COC(=O)c1nccn2ccnc12)Nc1ccc(N=Nc2ccccc2)cc1	748464150	NTFNICVXHPURPA-UHFFFAOYSA-N	400.398	3.940	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ccc(F)c(F)c1F	751469382	YQYQBZYJZOMXTJ-UHFFFAOYSA-N	424.238	3.783	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C4CC4)nc4onc(C)c34)CC2)cc1F	753740584	SJMRSTKVQOWVON-UHFFFAOYSA-N	410.449	3.519	10	20	HHCD	
COc1ccc2cc(NC(=O)N3CCN(c4ccc(OC)c(F)c4)CC3)ccc2n1	753883893	LEBNMULEGLFUFT-UHFFFAOYSA-N	410.449	3.745	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCO4)n2)ccc1F	753978981	ZTZCFUPYPCRSFI-UHFFFAOYSA-N	406.460	3.830	10	20	HHCD	
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	754549536	YRDDURVVYMXZRG-UHFFFAOYSA-N	402.362	3.631	10	20	HHCD	
C[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)c1cc(Br)ccc1O	756357000	BFSIJULGDZJOAI-DNVCBOLYSA-N	405.336	3.879	10	20	HHCD	
C[C@@H]1C[C@H](NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c2c(O)ccc(F)c21	756689147	SALBEPFZPATHSX-BEFAXECRSA-N	418.534	3.770	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O	758839534	JHEBXHMCAXXTFK-NOZRDPDXSA-N	423.532	3.775	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@H](C)[S@](=O)CC3)c2C)cc1	759865068	BZNOLAAKGYHRCQ-YMGMXPECSA-N	402.560	3.518	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H]3CCC[C@@H](C(C)C)C3)CC2)cc(OC)c1OC	760114129	NJOJHPIWLZDOMG-MSOLQXFVSA-N	419.566	3.759	10	20	HHCD	
O=C(c1cnc(OCc2ccccc2)cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1	760472806	BSJOGXUIUDMRSI-FQEVSTJZSA-N	419.481	3.583	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1csc(Br)c1	761095949	AJHADWKERQYRQA-UHFFFAOYSA-N	415.696	3.834	10	20	HHCD	
Cc1ccc([C@@H](CNC(=O)NCc2cccc(Br)c2O)N(C)C)cc1	764782109	ZNXZHEGXPBWVNI-QGZVFWFLSA-N	406.324	3.565	10	20	HHCD	
CCn1c(-c2cnccn2)nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c1=S	764863097	BRULKUAWUXWMLX-UHFFFAOYSA-N	423.590	3.971	10	20	HHCD	
CC(C)Oc1cncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	765688782	XZJSKCDXVQMTGQ-INIZCTEOSA-N	405.445	3.869	10	20	HHCD	
COc1cc(-c2noc(COc3ccc(N4CCCC4)cc3)n2)cc(OC)c1OC	767827423	JULXZQWXROQVEL-UHFFFAOYSA-N	411.458	3.942	10	20	HHCD	
Cc1ccc(O)c(CN2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)c1	768997120	CIWSQUVDNLCDDN-UHFFFAOYSA-N	423.517	3.933	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1C	769310897	CACLJZZRJGNUCN-RPWUZVMVSA-N	409.574	3.900	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCCC[C@H]2CNC(N)=O)cc1	772694082	JZCMUIFAJFYZBL-SFHVURJKSA-N	408.506	3.831	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c[nH]c2cc(Br)ccc12	773745072	YTZZYKPPWJQHEP-NSHDSACASA-N	403.276	3.632	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(N(C)C)cc1	773845644	INZNBXQPRGEZOO-LLVKDONJSA-N	411.836	3.823	10	20	HHCD	
COc1cccc(OC)c1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	775139529	IFZCYHYJXFMYBL-UHFFFAOYSA-N	421.456	3.536	10	20	HHCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F	775286815	OMJNNXCAZHWBAG-UHFFFAOYSA-N	409.769	3.652	10	20	HHCD	
CC[C@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Br)ccc1O	775503139	BZBYVVFRZCMGIX-YOEHRIQHSA-N	418.335	3.573	10	20	HHCD	
COc1cc(O)c(CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1OC	776192542	LDURLLWTEZJFAE-HNNXBMFYSA-N	407.470	3.908	10	20	HHCD	
CN(C(=O)Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1)c1ccccc1	779499246	LKUOICSPKCSFAZ-GXDHUFHOSA-N	402.450	3.955	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)co1	781371766	UHQZXKVADDQYEL-CYBMUJFWSA-N	403.390	3.547	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cn1	781645922	GHPXQVCPEMLBMZ-UHFFFAOYSA-N	409.464	3.552	10	20	HHCD	
Cc1c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cnn1-c1ccccc1	784113973	UZMLDMYEXAHTRO-UHFFFAOYSA-N	417.513	3.925	10	20	HHCD	
CCCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(OC)cc1	788938231	QIFJRGORPCKCFX-HSZRJFAPSA-N	423.557	3.959	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	789074588	ZKMPPVCMTXHKCR-YMYNHAKTSA-N	408.237	3.767	10	20	HHCD	
COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1C	789726495	IFQFKIBGCNKBAP-UHFFFAOYSA-N	418.544	3.517	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@]2(CCN(Cc3cc(Br)ccc3O)C2)C1	793606720	XLJDOCIRHNUNON-LJQANCHMSA-N	411.340	3.988	10	20	HHCD	
COC(=O)CCCc1nnc(NCc2ccc(N(C)C)cc2C(F)(F)F)s1	794944247	SACVLRMOEMHFAQ-UHFFFAOYSA-N	402.442	3.731	10	20	HHCD	
O=C1CN(c2ccc(NCc3ccc4c(c3)CCN4Cc3ccccc3)cc2)CCN1	796269756	GNKWNESREJBGNT-UHFFFAOYSA-N	412.537	3.798	10	20	HHCD	
O=C(c1ccc(F)cc1)c1cc(Cl)ccc1N[C@@H]1CCN(C2CCOCC2)C1=O	799967143	GXQGZKNPPCKXQW-HXUWFJFHSA-N	416.880	3.902	10	20	HHCD	
C[C@H](N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	800506208	QMGMFFDSZGUAJM-CVDCTZTESA-N	421.516	3.916	10	20	HHCD	
Cc1cc(F)cc2c1CN(C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CC2	800701771	YDXPLGNVOZZECX-UHFFFAOYSA-N	415.484	3.502	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	801549845	DANFJCJODZQBLS-UHFFFAOYSA-N	416.543	3.619	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	801550659	AMOPTEOWPGXOSF-GOSISDBHSA-N	406.523	3.547	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](COC)C1	802450473	VYAQTRWDYNXMRY-FQEVSTJZSA-N	423.561	3.862	10	20	HHCD	
COCN1C(=O)CCc2cc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21	806503335	SSWCIDFYDHZBEH-UHFFFAOYSA-N	424.284	3.904	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)cc1F	806634885	NBHKDKSXHWVWBT-GOSISDBHSA-N	421.314	4.000	10	20	HHCD	
CCOc1ccc([C@@H]2CCCN2C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	807676528	HFXIWSBPKYMZGP-VGSWGCGISA-N	409.530	3.692	10	20	HHCD	
Cc1cc(Cl)cc([C@H](C)NCc2cccc(OCCN3CCOCC3)c2)c1O	808680979	SHLFHENXBZPNGA-KRWDZBQOSA-N	404.938	3.916	10	20	HHCD	
CCOC(=O)c1n[nH]c(-c2cccc(CNCc3ccc(N4CCCCC4)cc3)c2)n1	809762191	GYSHFOXIXWRPMC-UHFFFAOYSA-N	419.529	3.929	10	20	HHCD	
Brc1ccn2cc(CNCc3ccc(N4CCSCC4)cc3)nc2c1	810132131	WZTUSWNXHSERAX-UHFFFAOYSA-N	417.376	3.940	10	20	HHCD	
CC[C@@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@H]1CCOC1	812409530	RYRJHFAUODLTQS-RTBURBONSA-N	413.566	3.553	10	20	HHCD	
NC(=O)C1CCN(CCc2ccc(NCc3ccc4ccccc4c3O)cc2)CC1	816525680	FAYVEBKVLDZIBB-UHFFFAOYSA-N	403.526	3.897	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cc(Cl)ccc3F)CC2)cc1	915316009	CGFJKDVWYBXNQM-UHFFFAOYSA-N	420.916	3.822	10	20	HHCD	
COc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c1	916231127	FRSRLPOZHMDJSO-JOCHJYFZSA-N	404.422	3.943	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1	918033229	NYZVUMMIVUFHQB-UHFFFAOYSA-N	405.401	3.761	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccccc2CN2CCOCC2)C2CC2)cc1	918039755	MIONDLSONNBCHB-UHFFFAOYSA-N	408.546	3.781	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1	918439887	WJMZEZBTIOJQFJ-UHFFFAOYSA-N	424.353	3.802	10	20	HHCD	
O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)SC(=S)N1c1ccc(F)cc1	920387935	SFXKYXKCFNINII-LZYBPNLTSA-N	418.427	3.911	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2nc(Cc3ccccc3)no2)C2CC2)cc1	921123645	KVWIYQWEABQPCN-UHFFFAOYSA-N	405.502	3.601	10	20	HHCD	
C[C@H](NC(=O)c1cc2c(nc1O)CCC(C)(C)C2)c1ccc(N2CCOCC2)cc1	1253381172	QIFVFTMVLPXTCR-INIZCTEOSA-N	409.530	3.630	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H](C)c3cc(C)oc3C)CC2)cc(OC)c1OC	1321049685	XNWARWLWSGRQCC-OAHLLOKOSA-N	417.506	3.515	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1F	1321150092	JJOAMRBZIIPQRS-UHFFFAOYSA-N	419.459	3.601	10	20	HHCD	
C/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830740142	IOGMZRKQOHMXLK-WAUBUAMCSA-N	406.910	3.561	10	20	HHCD	
COc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F	65435201	ATZTXZVDFPTXCH-MRXNPFEDSA-N	401.482	3.574	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cn4ccnc4)cc3)cc2F)C[C@H](C)O1	108458392	YLNSZFSJEHDYDH-ROUUACIJSA-N	422.504	3.614	10	20	HHCD	
C[C@H](NC(=O)Nc1nc2c(s1)C[C@H](C)CC2)c1ccc(N2CCOCC2)cc1	141546638	BDSGAUYDKBLRGY-CABCVRRESA-N	400.548	3.987	10	20	HHCD	
CN(C(=O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2)c1nccs1	303424315	AESUUHIIEIVUKY-UHFFFAOYSA-N	401.513	3.645	10	20	HHCD	
Cn1cc(-c2ncc(/C=C3/CCn4c3nc3cc(C(F)(F)F)ccc3c4=O)cn2)cn1	480034644	CRZTXSMCZQHTFT-MLPAPPSSSA-N	424.386	3.550	10	20	HHCD	
Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	726231018	RAJDWROZMSKHNB-UHFFFAOYSA-N	423.538	4.000	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCN([C@H](C)c4ccccc4)C3)CC2)cc1	726612651	JBSDLUXUFIAUEZ-DENIHFKCSA-N	422.573	3.799	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)CC2)cc1	726710104	SBWHGAQRCGUETJ-PKTZIBPZSA-N	409.530	3.837	10	20	HHCD	
CC(C)N(CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C	727148497	LJWJKCXCEOODCS-GOSISDBHSA-N	419.566	3.736	10	20	HHCD	
CSCCc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	727936424	LVZKZHXWTAHNRQ-UHFFFAOYSA-N	403.523	3.890	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cnn(-c3ccc(F)cc3)c2)SC1=S	728312065	KFIOPIMFALFHRO-RQZCQDPDSA-N	418.563	3.800	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2c(s1)CCOC2	728521243	ZVKXFSDFQBPNKJ-UHFFFAOYSA-N	408.470	3.821	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1	728752533	FUGFDWOEZQQHRF-INIZCTEOSA-N	404.308	3.575	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccn1	730835750	GHWTXDPSYIIWNP-GOSISDBHSA-N	403.404	3.971	10	20	HHCD	
Cc1cc(C(=O)NCc2nncn2C2CC2)c(C)n1-c1cccc(Br)c1	732078370	AOJVKDLRCMOZOZ-UHFFFAOYSA-N	414.307	3.713	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)CCC(C)C)cc1	732114347	DNIHXTTZPPIJJH-UHFFFAOYSA-N	411.546	3.847	10	20	HHCD	
Cc1sc(NC(=O)[C@H](C)S(C)(=O)=O)c(C(=O)OC(C)C)c1-c1ccccc1	733092279	CYOZIGLNULBJJB-ZDUSSCGKSA-N	409.529	3.660	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2cc1NS(C)(=O)=O	733367605	GNVOAYZGIBCNLX-UHFFFAOYSA-N	411.527	3.550	10	20	HHCD	
CN1C(=O)CC[C@H](C(=O)NCc2ccccc2O)[C@H]1c1ccc(C(F)(F)F)cc1	734547756	NTNXWSDVYPNFES-QFBILLFUSA-N	406.404	3.637	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(O[C@H]4CCOC4)cc3)CC2)cc1	740456784	CNWDOJBCIMCKRQ-QFIPXVFZSA-N	411.502	3.607	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCN(Cc2cccs2)CC1	740911161	CUKZKDRKWYSUET-UHFFFAOYSA-N	410.587	3.836	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c1	741283959	YRADBOWWEFYMHC-SMDDNHRTSA-N	423.296	3.938	10	20	HHCD	
CCn1c(/C(Cl)=C/c2scnc2C)nc2cc(S(=O)(=O)N(C)C)ccc21	742432212	UKTWCQOREOQHIJ-LCYFTJDESA-N	410.952	3.808	10	20	HHCD	
CC(=O)NC[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)C1	742614392	HBZWYCPMXXNCRN-FQEVSTJZSA-N	407.558	3.614	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=S)Nc3cccc(C(C)C)c3)CC2)cc1	742911138	VIKWHTSZYVFRPN-UHFFFAOYSA-N	412.603	3.927	10	20	HHCD	
O=C(NCCc1ccccc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743504529	SNCSWLAOUDDDHO-MRXNPFEDSA-N	407.436	3.938	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC(OCC4CC4)CC3)cc2F)C[C@@H](C)O1	743554516	HANWJALZEGURLT-CALCHBBNSA-N	419.541	3.540	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1c(O)ccc2c1CCCC2	743555088	PPXAOEJZJIIFTF-UHFFFAOYSA-N	411.571	3.824	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1OCCN(C)C	745786430	IPKQQTUZOVDCEL-UHFFFAOYSA-N	412.578	3.813	10	20	HHCD	
CN(Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903933	KCKJKHXUMXDBCN-MRXNPFEDSA-N	405.445	3.804	10	20	HHCD	
COc1ccc(N2C(=O)C3(CCCC3)N[C@H]2c2ccc(N(C)C)c(F)c2)cc1OC	747439557	DJHAXJZMXMHNBS-OAQYLSRUSA-N	413.493	3.857	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1SCCc2ccccc21	749611152	GZTMLILPYXXJFR-JOCHJYFZSA-N	411.571	3.695	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc2cccc(Cl)c2o1	753513714	DTVFPTATWWFLHA-UHFFFAOYSA-N	400.862	3.968	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1	753645618	WWXFSKWIENNSPW-HNNXBMFYSA-N	420.444	3.574	10	20	HHCD	
CCC1(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CCCC1	757141167	UDVZWMNTMGILHD-CALCHBBNSA-N	420.525	3.569	10	20	HHCD	
COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(I)c1	760321170	RSFKDIQDFYXBRF-UHFFFAOYSA-N	424.282	3.638	10	20	HHCD	
CC(=O)Nc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cc(C(F)(F)F)c1	760475452	VQTORSVMLGDNPL-UHFFFAOYSA-N	405.420	3.976	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1	761633394	YFWYSMRHZAWEKA-OAHLLOKOSA-N	406.866	3.673	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1	763545039	APVWFCQQGHXTDW-GOSISDBHSA-N	418.538	3.978	10	20	HHCD	
O=C(Nc1cccc(NS(=O)(=O)c2cccc3nonc23)c1)C1CCCCC1	765094420	GCBIPEUXAIBBLD-UHFFFAOYSA-N	400.460	3.542	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2	765288640	ZCAJCEQHQLJDSQ-QGZVFWFLSA-N	407.558	3.976	10	20	HHCD	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)ccc21	767673139	WPUOMGZGDCXEGE-UHFFFAOYSA-N	415.496	3.847	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(Br)n1	770271243	GFAJDUYAGOBRDG-UHFFFAOYSA-N	407.223	3.872	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(NC(=O)NC(C)C)cc3)c2)CC1	770285858	GWIQVVDTTPUSJI-UHFFFAOYSA-N	409.534	3.611	10	20	HHCD	
O=C(Cc1ccc(OC(F)F)cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771056674	GFYFXKWPCABTMS-KRWDZBQOSA-N	424.875	3.970	10	20	HHCD	
CN(C)C(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(Cl)c1	772069848	JJOHVNDOLLIQQV-UHFFFAOYSA-N	400.910	3.746	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC(C(=O)C(F)(F)F)CC3)cc2)CC1	773290819	IITFZMDVSSFPTH-UHFFFAOYSA-N	411.468	3.976	10	20	HHCD	
Cc1cc(Br)cc(CN2CCN(c3ncnc4ccsc34)CC2)c1O	775691121	UZWNSWBTYMGCPQ-UHFFFAOYSA-N	419.348	3.790	10	20	HHCD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1(C)C	775770793	ICVDDSXEVKXROA-FSPWUOQZSA-N	411.493	3.616	10	20	HHCD	
COC1CCN(C2(CNCc3cc(Br)cc(C)c3O)CCCC2)CC1	776176650	AQZBNJFTFDKLKA-UHFFFAOYSA-N	411.384	3.976	10	20	HHCD	
CN1CCN(c2ccc(CN3C[C@@H](CCN4CCCC4=O)c4ccccc43)cc2)CC1	780779009	JRLBQTGOSIKJQT-JOCHJYFZSA-N	418.585	3.555	10	20	HHCD	
COC(=O)c1occc1CN(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)c1ccccn1	780921952	OJLMVUDATHYQAH-AWEZNQCLSA-N	410.426	3.584	10	20	HHCD	
COc1c(F)cc(F)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782895420	AYFQTKLEINAEFT-UHFFFAOYSA-N	418.440	3.979	10	20	HHCD	
CC(C)(C)c1nnc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)s1	782896427	NQEIBGBMQOCMQD-UHFFFAOYSA-N	416.547	3.841	10	20	HHCD	
CC(=O)Nc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C	785569088	CKVISXWLJCVQJT-UHFFFAOYSA-N	417.456	3.954	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1)c1ccc(N(C)C)cc1	787559702	RDFLNTUBEUFBGP-HNNXBMFYSA-N	422.460	3.895	10	20	HHCD	
COC(=O)c1cncc(S(=O)(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1	788547038	HUDZESJEISIAPQ-UHFFFAOYSA-N	417.512	3.718	10	20	HHCD	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788937951	PYBAKBJRONINAL-JTSKRJEESA-N	409.505	3.652	10	20	HHCD	
O=C(O)Cn1c(/C=C\c2cnn(Cc3ccccc3)c2Cl)nc2ccccc2c1=O	789129127	SIACRBVHQFBEAI-KHPPLWFESA-N	420.856	3.550	10	20	HHCD	
Cc1nc(Cl)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	789484802	FTZTULVJCXXQRZ-UHFFFAOYSA-N	400.910	3.535	10	20	HHCD	
CCO[C@H]1C[C@@](O)(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1(C)C	789621111	MIDWGDHNRRYWQX-WMZHIEFXSA-N	424.501	3.723	10	20	HHCD	
CCCC[C@@H](CCC)NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	789825495	MHCVLUDKZPVBBL-ZIFCJYIRSA-N	421.557	3.531	10	20	HHCD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	789854871	FTOZNPHFKQSPFK-WOJBJXKFSA-N	417.619	3.577	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccc(Oc2ccccc2)c1	789915082	HCXODCYDNIDLSE-UHFFFAOYSA-N	417.509	3.820	10	20	HHCD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1c(O)ccc(Cl)c1F	792156701	LJNGCXCDGMYPSE-MRXNPFEDSA-N	423.868	3.864	10	20	HHCD	
CC[C@H](C)CC[C@H](O)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	793100281	BIYPMQXTRGXKBV-YJBOKZPZSA-N	416.484	3.736	10	20	HHCD	
COC(=O)c1ccc(CNCCCSc2nccs2)c(Br)c1	793583779	INXSAYSAOCOUGA-UHFFFAOYSA-N	401.351	3.964	10	20	HHCD	
C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCO2	794357120	NAKZHKICZYIXOR-GDBMZVCRSA-N	418.440	3.905	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3c(F)cc(F)c(F)c3F)CC2)cc1	797521377	UDJBXRXKZMQZEB-UHFFFAOYSA-N	411.399	3.674	10	20	HHCD	
CCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n[nH]1	800721165	YBCVUQDOHOWMON-UONOGXRCSA-N	404.946	3.817	10	20	HHCD	
CCn1c([C@H](C)OCCOC)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	801930186	IAOJNGGKSBWETN-SFHVURJKSA-N	401.555	3.649	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)C)cc1	802674248	VUOJZFWZUXNJOF-UHFFFAOYSA-N	412.582	3.653	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](C(F)(F)F)[C@H](CO)C3)c2C)cc1	804391740	RNLIPCWVPVXJBS-KXBFYZLASA-N	410.436	3.736	10	20	HHCD	
CC[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc(Cl)c1O	806159291	FSMODNFLDDRPQK-WOJBJXKFSA-N	402.922	3.556	10	20	HHCD	
CC(=O)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2	808483469	NOHNQXKSLFBOTE-FOWTUZBSSA-N	401.418	3.742	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Oc2cccnc2)cc1	808927341	VFSCSAFYDKPNGZ-UHFFFAOYSA-N	414.465	3.505	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	810350193	AFFRDMQAJREOER-UHFFFAOYSA-N	423.425	3.623	10	20	HHCD	
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1	815135382	OBDOAKFYBXQNLZ-DEOSSOPVSA-N	423.557	3.513	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)ccc1-c1ccncc1	815447258	OWCPAAVQVDQFGI-UHFFFAOYSA-N	414.509	3.694	10	20	HHCD	
C[C@H]1CN(C(C)(C)CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1	838643036	XOTJFBAFFFXVEA-PMACEKPBSA-N	416.610	3.706	10	20	HHCD	
CC(C)c1nn(-c2ccccc2)c(Cl)c1/C=C1/SC(N2CCOCC2)=NC1=O	914557083	AIIKKTAOKAXRBH-FOWTUZBSSA-N	416.934	3.952	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CN2CCCCC2=O)c(C)n1-c1ccc(F)c(Cl)c1	915453965	YMOINSACCSQCBC-UHFFFAOYSA-N	420.868	3.625	10	20	HHCD	
CCN(CCCNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1	918198979	XEVXMORUJJQRQS-UHFFFAOYSA-N	412.603	3.956	10	20	HHCD	
Cc1cccc(CN2CCCC[C@@H]2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	1116020221	KHCZBVIJHRPDOG-RUZDIDTESA-N	421.585	3.845	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@@H](Cn2cc(Cl)cn2)C(=O)O)cc1	1116780441	OVCAXNAFRCEQQE-NRFANRHFSA-N	412.921	3.806	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)cc1	1341406477	HOGCLUISUREWBH-UHFFFAOYSA-N	403.486	3.581	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1)c1cc(O)nc(O)c1	1788424303	URMIVNPIILLMEX-UHFFFAOYSA-N	409.467	3.616	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O	38323565	WWCDRSUOPQLKAR-ZSOIEALJSA-N	406.416	3.854	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]1c1ccc(Br)cc1	109772860	OJVXTDBPRFHBNP-UXHICEINSA-N	415.331	3.706	10	20	HHCD	
c1ccc2nc(N3CCOCC3)c(NCc3ccc(N4CCSCC4)cc3)nc2c1	301706823	GPGXVKRRWMTPNE-UHFFFAOYSA-N	421.570	3.632	10	20	HHCD	
CCN(CC)Cc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1	472791583	SJWYARBLXOXKFN-UHFFFAOYSA-N	406.530	3.583	10	20	HHCD	
COc1ccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)C(C)C)cc1F	725816549	XKESPDIARNNKJG-UHFFFAOYSA-N	414.521	3.914	10	20	HHCD	
CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCc3cccc(OC)c3O)ccc21	729571323	DFGZLTMPHAUMCZ-UHFFFAOYSA-N	424.501	3.546	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@H]2CCOC2)c(C)n1-c1cccc(Br)c1	731653599	YVMTXFHWVNQYOM-INIZCTEOSA-N	421.335	3.640	10	20	HHCD	
O=C1/C(=C/c2ccc(Br)cn2)SC(=S)N1CCc1ccccn1	733813536	UHFSOYCJYAZJRD-ZROIWOOFSA-N	406.330	3.683	10	20	HHCD	
CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)NCCCSc1nccs1	733973722	UZRKRFBCWJGYIK-UHFFFAOYSA-N	421.569	3.580	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)c1	735383584	DMQMTHYVWBKSHT-NVXWUHKLSA-N	401.482	3.878	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c(C)c1	741920865	NBVCFXYVZBFRRR-UHFFFAOYSA-N	403.482	3.748	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](CN3CCOCC3)C2)c(C)n1-c1ccc(Cl)cc1	742106896	ASRKUHYDWVCQGS-GOSISDBHSA-N	401.938	3.542	10	20	HHCD	
C[C@H](c1cccc(O)c1)N(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	744402683	POBMNCUVLNKJRH-OAHLLOKOSA-N	414.461	3.799	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C12CCCC2	745918653	NZTNBSVIYCRXON-HLAWJBBLSA-N	402.535	3.821	10	20	HHCD	
COc1ncc(C)cc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	746736031	IRIDMSAMLDIEJE-UHFFFAOYSA-N	406.433	3.791	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1	747371170	UEGIDQDGRZNCOC-VQTJNVASSA-N	415.331	3.910	10	20	HHCD	
C[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	747831748	SDOPZNKZJMRUIS-OAHLLOKOSA-N	408.420	3.842	10	20	HHCD	
CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1	747861055	XHZUUIMBCAJCGM-VWNXMTODSA-N	423.557	3.833	10	20	HHCD	
CCS[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	748961314	REGAULDPJZDMPU-AEFFLSMTSA-N	409.571	3.650	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCCCOc3ccc(C)cc3)CC2)cc1F	753843373	SUTOIFWWAMPWSC-UHFFFAOYSA-N	415.509	3.834	10	20	HHCD	
COc1cc([C@@H](C)NC(=O)NCCCSc2nccs2)cc(OC)c1OC	759559640	BKBOXDGJWUDUSE-GFCCVEGCSA-N	411.549	3.712	10	20	HHCD	
COc1cc(Cl)cc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1O	761192480	NYAXAQFYHWJPIL-UHFFFAOYSA-N	407.873	3.979	10	20	HHCD	
CCOc1cc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc(Cl)c1O	762593576	PHCKXIUFHVITGR-UHFFFAOYSA-N	404.894	3.852	10	20	HHCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C	762761138	NGDSMPGHLOGYEA-BHDDXSALSA-N	417.594	3.955	10	20	HHCD	
C[C@@H](CCc1ccco1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765283184	XONLHRVAKLJGNB-SFHVURJKSA-N	409.509	3.646	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1	765325422	NRELQXKMMAZFKH-NFBKMPQASA-N	409.530	3.837	10	20	HHCD	
CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2cccc(Br)c2O)cc1	765764036	FZJLTHHYTCQPCI-LLVKDONJSA-N	423.332	3.910	10	20	HHCD	
C[C@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	765868566	PGXPWHCNCUVVLC-WMZOPIPTSA-N	407.530	3.712	10	20	HHCD	
O=S1(=O)CCC(CN(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)CC1	767426353	PFVNZIQUTODDDM-DAXSKMNVSA-N	413.539	3.802	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1	769539692	TZMUKFQKJOLNAQ-GOSISDBHSA-N	420.893	3.936	10	20	HHCD	
Cc1cc(C(=O)N(CCO)CCOCC(F)(F)F)c(C)n1-c1cccc(Cl)c1	771814380	PVJXFWDIRIOKEF-UHFFFAOYSA-N	418.843	3.761	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(C)n(-c4ccccc4)n3)CC2)cc1	772582520	ZYERIFMMBFWZSR-UHFFFAOYSA-N	405.502	3.980	10	20	HHCD	
COc1cc(Br)ccc1CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773748538	LWEWQDCMTBRRAI-LBPRGKRZSA-N	408.292	3.549	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(F)cc(F)c1O	774509319	NPXKDGWCZCNYFF-QLJPJBMISA-N	411.246	3.889	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(CCN3CCSCC3)cc2)c1O	774928946	AMRHQKIGOZVKPP-UHFFFAOYSA-N	403.504	3.512	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)ccc21	775216125	DLBVLWLYYOMPSJ-OAQYLSRUSA-N	411.933	3.606	10	20	HHCD	
CC[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(OC)cc1	775765408	OAQASHPWLNDAQA-FQEVSTJZSA-N	400.494	3.605	10	20	HHCD	
CN(C)CCOc1ccc(/C=C\C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	776677060	SMUHYNYSHNDVKA-OVTQYCMBSA-N	424.541	3.554	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(Oc4ccncc4)c3)c2)CC1	781269487	UIGBLSSVKFQGPS-UHFFFAOYSA-N	416.481	3.795	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(N(C)C)cc2)cc1	782424085	YKAGYZKBNUUHGX-UHFFFAOYSA-N	420.513	3.579	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1	782780542	GOECUFQCJIZEAM-UHFFFAOYSA-N	419.472	3.805	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)cc1	785425177	XIJCOZSQLRWFGA-LAUBAEHRSA-N	405.542	3.785	10	20	HHCD	
Cc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c(-n2cc(Cl)cn2)n1	787442417	QZAOQNVYANPULN-UHFFFAOYSA-N	420.904	3.962	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)OCC(F)(F)F)NC(=O)OC(C)(C)C)cc1	790332813	AEVMXOQMIAMLEM-AWEZNQCLSA-N	405.417	3.607	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)c3ccc4c(c3)OCO4)cc2F)C[C@@H](C)O1	794237965	GHAZXWSIMCLXSJ-XHSDSOJGSA-N	414.477	3.588	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cccc(OCc3cccc(C)c3)c2)c(O)c1	797387466	JPOQOJSCGHVHRB-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
O=C(NCc1ccncc1OCC(F)(F)F)NCc1c(O)ccc2c1CCCC2	798523514	KVTCPLMDPLVSDL-UHFFFAOYSA-N	409.408	3.607	10	20	HHCD	
CCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CCc1ccccc1	802299376	PULOCYWHGNSLFH-UHFFFAOYSA-N	409.509	3.558	10	20	HHCD	
CCOC(=O)[C@@H]1CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21	802302470	YQKQUVQGJYPEMF-IFMALSPDSA-N	412.505	3.934	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1	802610635	JDYYEDWRLUALJO-UHFFFAOYSA-N	413.493	3.899	10	20	HHCD	
CCSc1ccc([C@H](C)NC(=O)C(=O)NCCCSc2nccs2)cc1	804587800	BMUHCYXCRCBNBI-ZDUSSCGKSA-N	409.602	3.731	10	20	HHCD	
CCCC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(OC)cc1	804596036	RLIQZUGXXVLTBO-VGOFRKELSA-N	411.546	3.986	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2nccc(C(F)F)n2)cc1	807610482	XEAZMEZURLRYFP-UHFFFAOYSA-N	415.444	3.985	10	20	HHCD	
COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	809696888	TWWRXKCNCWDYAB-GOSISDBHSA-N	415.412	3.513	10	20	HHCD	
CC[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccc(C(F)(F)F)cc1O	810213100	LUHXCBFHZOUOGC-FUHWJXTLSA-N	404.498	3.660	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	810318388	YGZTUKJYXUMSGM-UHFFFAOYSA-N	416.453	3.579	10	20	HHCD	
COc1ccc(O)c(CNc2nc(C)c(C)nc2NCc2cc(OC)ccc2O)c1	811806073	IYUCCZVTLDRKPW-UHFFFAOYSA-N	410.474	3.746	10	20	HHCD	
CCOc1ccc([C@H](O)C2CCN(Cc3ccc(N4CCN(C)CC4)cc3)CC2)cc1	812777216	ZKIYRVOUTXTWGG-SANMLTNESA-N	423.601	3.783	10	20	HHCD	
CS(=O)(=O)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1Cl	813685513	JLMJDUFALHTRSI-UHFFFAOYSA-N	408.690	3.686	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@H](O)CC2)c(C)n1-c1ccc(Br)cc1	815300395	NZTLBYMWBRHHOO-SFHVURJKSA-N	405.336	3.886	10	20	HHCD	
O=S(=O)(Cc1ccccc1)NCCN[C@H](CCc1ccccc1)c1ccccc1O	815563485	DOJXRTDQKPNANI-HSZRJFAPSA-N	424.566	3.775	10	20	HHCD	
COc1ccc(C(=O)N2CCC(NCc3cc(Cl)c(F)cc3O)CC2)cc1OC	816550120	IZBMBNKDGGKETH-UHFFFAOYSA-N	422.884	3.596	10	20	HHCD	
COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c(OC)c1	914903658	RHWIFCWBUDVYHO-MRXNPFEDSA-N	423.469	3.690	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(N(C)C)cc3)cc2F)C[C@@H](C)O1	916667845	HUSIODIOGYLCRE-IYBDPMFKSA-N	400.498	3.827	10	20	HHCD	
Cc1nc(C)c2c(C)c(CNCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)sc2n1	917394253	DBIPXJPQFQVLKF-SFHVURJKSA-N	423.586	3.608	10	20	HHCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	917926816	LUFYGWHAFIFXIF-UHFFFAOYSA-N	409.895	3.668	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccn(-c4ccccc4)n3)cc2F)C[C@@H](C)O1	918029010	VPQDQWXOTDAPCV-CALCHBBNSA-N	423.492	3.947	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c([N+](=O)[O-])c1	918196411	SNMMGUHTSZMCJP-UHFFFAOYSA-N	409.445	3.738	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(Br)c2)cc1	918308919	CHPBFVWRCAPITG-UHFFFAOYSA-N	418.335	3.892	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)c2ccc(OC)c(OC)c2)sc2c1CCC2	920418851	SZRRHWNYLOMQTO-UHFFFAOYSA-N	418.515	3.506	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)nn4cccnc34)c2C)c1	920537034	CDINRADLOKDYQV-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCOCC2)cc1	920872594	UTATUEFKGKPCIW-YKSBVNFPSA-N	422.573	3.721	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1c[nH]c(C(F)(F)F)c1	1323960247	OPIGSOPIFJRPLF-UHFFFAOYSA-N	415.418	3.893	10	20	HHCD	
CC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(C)ccc2C)cc1	1800513150	AADMAZDVCZJAIG-UADZTWIMSA-N	421.541	3.715	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1	625753	SBPMMBUKAUKVSS-UHFFFAOYSA-N	402.497	3.597	10	20	HHCD	
CCOc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(Cl)c1O	216570061	UBZOTDOCPHVJGM-UHFFFAOYSA-N	404.894	3.553	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C	303161051	HRIWUIVMVWXJGE-FQEVSTJZSA-N	417.619	3.973	10	20	HHCD	
Cc1ccc(Br)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	392708379	SYHMLWXFRMJRMC-UHFFFAOYSA-N	407.283	3.663	10	20	HHCD	
Cc1ccc(C(=O)CCC(=O)CCC(=O)N2CCOc3cc(N(C)C)ccc32)s1	437004890	FJSGDFALLSKUAM-UHFFFAOYSA-N	414.527	3.860	10	20	HHCD	
Cc1c(CNC(=O)NCc2ccc(OCCN3CCCC3)cc2)n(C)c2ccccc12	471866229	RFNDLSVJGHLIFV-UHFFFAOYSA-N	420.557	3.961	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC(C(=O)Nc4ccc(F)cc4)CC3)ccc21	726250220	UKQNBBCVIZADBJ-UHFFFAOYSA-N	424.520	3.768	10	20	HHCD	
COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(CC(C)(C)CN(C)C)C1=O	727176780	OUVSVMMFECVWNN-RQZCQDPDSA-N	424.588	3.501	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccc(OC)c(OC)c1OC	727946382	XPWIYPJHRBIMNN-UHFFFAOYSA-N	415.534	3.553	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3ccc4oc(=O)ccc4c3)cc2)CC1	731039253	ZDBCGCCOBMZHIN-UHFFFAOYSA-N	412.511	3.508	10	20	HHCD	
CCOc1ccc(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1	739924684	TZCYUQDATYOAST-SFHVURJKSA-N	421.419	3.828	10	20	HHCD	
COc1cc(N(C)CC(=O)N(C)Cc2ccc(SC)cc2)cc(OC)c1OC	741806471	PRIWFWIGFHEDEZ-UHFFFAOYSA-N	404.532	3.529	10	20	HHCD	
CN(C)c1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F	742285075	LCQIGBLHJRVMAG-UHFFFAOYSA-N	422.265	3.585	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	742468543	JCWBBDDHWQZNIW-GOSISDBHSA-N	411.933	4.000	10	20	HHCD	
C[C@H](CCc1ccccc1F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	743313579	LTDCAWDGMBYYPQ-MRXNPFEDSA-N	402.485	3.811	10	20	HHCD	
O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1CCCN1CCOCC1	743374011	XLHBRQJEFLDREK-CYVLTUHYSA-N	414.552	3.870	10	20	HHCD	
Cc1c(Br)cccc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	745517934	FWCREHVEEOAVSA-UHFFFAOYSA-N	419.319	3.639	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(Cc3ccc(O)cc3)CC3CC3)CC2)cc1	745800353	PPEDHCLETVAPHG-UHFFFAOYSA-N	409.530	3.991	10	20	HHCD	
Cc1cc(CC(=O)N(C)CC(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1	747574667	YHRMACSYLZLUDF-UHFFFAOYSA-N	413.905	3.658	10	20	HHCD	
Cc1cnc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cn1	750123295	JJEDMMIRJRFCGJ-OVCLIPMQSA-N	419.553	3.571	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1F	750826336	QXIWNJPHGAKWLG-UHFFFAOYSA-N	400.347	3.750	10	20	HHCD	
Cc1cc(S(=O)(=O)NCCCSc2nccs2)sc1Br	751247704	HZXOIXVTEYAMPW-UHFFFAOYSA-N	413.409	3.736	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCc3cncc(Br)c3)cs2)cc1	751936501	ISUKCEGDFTVLJW-UHFFFAOYSA-N	404.289	3.831	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(C)(CN3CCN(C)CC3)CC2)c(C)n1-c1ccccc1	755235117	FXKMAYOWTVZTIQ-UHFFFAOYSA-N	422.617	3.626	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(F)cc1O	756430146	IEQVWSGTGUUSQL-CVEARBPZSA-N	406.523	3.803	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1	756709941	QTTVRWSESBMVMI-SJKOYZFVSA-N	422.403	3.654	10	20	HHCD	
CCn1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1-c1ccccc1	756847257	YMACJPMMAJKVLX-UHFFFAOYSA-N	418.541	3.709	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	757651734	FQBSDUVMCRQCTQ-JTAQYXEDSA-N	422.573	3.546	10	20	HHCD	
COc1ccc(Br)c(CN(C)C(=O)NCc2ccc(N(C)C)cc2)c1	758284099	YBAYVSRMWFGMHN-UHFFFAOYSA-N	406.324	3.865	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	758839542	JHEBXHMCAXXTFK-ZCYQVOJMSA-N	423.532	3.775	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C2CC2)cc1	759517977	NXEMNXNHHUNZLM-UHFFFAOYSA-N	419.522	3.633	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H](C(=O)NCc1ccccc1)c1ccccc1	759595393	RBCNNHLJYXLPJV-QSMQPCCASA-N	403.434	3.712	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cccc(SC)c3)CC2)cc(OC)c1OC	759926934	FKUQSELVCQJWKR-UHFFFAOYSA-N	417.531	3.788	10	20	HHCD	
CN1CCCc2cc(CN3C(=O)[C@H](c4cc(F)c(F)c(F)c4)N(C)C3=O)ccc21	761181334	UGVJGNHGBYWLTE-IBGZPJMESA-N	403.404	3.622	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	762610194	AETIOSROKUXCFG-UHFFFAOYSA-N	404.511	3.542	10	20	HHCD	
CC(C)Oc1cncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	764923900	FKZLMFNUASZORO-HZPDHXFCSA-N	401.482	3.552	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Br)cn1	771057447	JSCHQGWDLUVUKQ-HNNXBMFYSA-N	424.726	3.598	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc2nc(C(F)F)[nH]c2c1	772427134	PEHQJJRBSHDVCC-UHFFFAOYSA-N	401.417	3.659	10	20	HHCD	
COc1ccc(/C=C/C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1O	773406427	DHFAFSPQRFOELW-QKYXPGDISA-N	416.905	3.554	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)c1	773467793	AHERXTQPHOYNRR-UHFFFAOYSA-N	406.534	3.606	10	20	HHCD	
CCOC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccc(OC)c(F)c1	775752281	SPBNSAXMTNUVJP-GOSISDBHSA-N	409.841	3.790	10	20	HHCD	
CN(Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccc(OCc2ccccc2)cc1	781961895	ZLYJYQJLSKHTRT-UHFFFAOYSA-N	400.500	3.745	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CCC(=O)c4ccccc43)cc2F)C[C@@H](C)O1	785888833	XTIPCJOJGUFKBE-YRNRMSPPSA-N	410.489	3.816	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1	786709363	HTKALWGDFZSQTF-GASCZTMLSA-N	421.463	3.759	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2c(OC)ccc3ccccc23)cc1	787019663	QIFKVURJEOUZNV-UHFFFAOYSA-N	419.525	3.627	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3ccccc3OC(F)F)CC2)cc1	788106807	OTNIBEHZSVDVNR-UHFFFAOYSA-N	419.472	3.807	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1	788911132	OZUUIHYKCXPGPT-OAQYLSRUSA-N	411.933	3.920	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1nc(C2CCC2)cs1	789371280	WKRQHOBZXIXLJW-UHFFFAOYSA-N	412.559	3.998	10	20	HHCD	
Cc1cc(-c2noc([C@@H](C)NCc3ccc(N4CCN(C)CC4)cc3)n2)ccc1F	792182170	XQSVVBWRGBXSMN-QGZVFWFLSA-N	409.509	3.787	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C1CCC(NC(=O)C2CC2)CC1	793657693	QJIXXCKMEVRLDZ-UHFFFAOYSA-N	423.351	3.588	10	20	HHCD	
COc1ccc(CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)c(O)c1	794387530	KJJNFXSZGGIOHA-UHFFFAOYSA-N	421.222	3.887	10	20	HHCD	
Cc1cc(CC(=O)NS(=O)(=O)CCC(F)(F)F)c(C)n1-c1ccc(Cl)cc1	797270337	UCJXRTAIUZEGEP-UHFFFAOYSA-N	422.856	3.688	10	20	HHCD	
Cc1ccc([C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)[C@H](C)S(C)(=O)=O)cc1	798088114	HPNBSKJSYZHOLV-SJCJKPOMSA-N	412.895	3.526	10	20	HHCD	
CCn1ncc(NC(=O)NCc2cccc(Br)c2O)c1C(F)(F)F	799236915	ITWWRVVXXLDFEI-UHFFFAOYSA-N	407.190	3.712	10	20	HHCD	
CC(C)[C@H](NC1CCOCC1)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800696329	OVTALTOYWUEPJT-JTSKRJEESA-N	422.013	3.986	10	20	HHCD	
C[C@@H]1CC(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)C[C@@H](C)C1	806899335	DCQPHZNFKXSAGK-ROUUACIJSA-N	411.546	3.815	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](c2nc(C)cs2)C2CC2)cc1	807626573	CBBIYGFBNDCPAR-IBGZPJMESA-N	414.575	3.524	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)c(C)n1-c1ccc(Cl)cc1	807995564	HMBJYVAHFDNGPE-CQSZACIVSA-N	400.866	3.856	10	20	HHCD	
COc1cccc(CNCc2ncc(Br)cc2Br)c1O	809739734	CDKWWVGSWXRHJH-UHFFFAOYSA-N	402.086	3.611	10	20	HHCD	
CC[C@@]1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)OCCc2ccccc21	812492726	LNBVFTFNNSNRFK-BWKNWUBXSA-N	424.541	3.961	10	20	HHCD	
O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2	824026309	NQVSZUYDNBTZIY-KCCWLYFOSA-N	400.504	3.796	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1	918307551	YKNLHOWXPYDUGE-UHFFFAOYSA-N	414.525	3.724	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)C2CCCC2)c(C)n1-c1cccc(F)c1	919353376	UEJDIPPXXOLUME-OAHLLOKOSA-N	414.477	3.654	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(F)cc3OC3CCOCC3)cc2F)CC1	1261176736	BTFYQJJQPXFFPZ-UHFFFAOYSA-N	417.500	3.887	10	20	HHCD	
O=C1Nc2ccc(Br)cc2/C1=C\c1ccc(N2CCOCC2)c(F)c1	1318848729	APKUWCZATNYVME-OQLLNIDSSA-N	403.251	3.918	10	20	HHCD	
O=C(NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1)c1cc(O)nc(O)c1	1787274266	WUNHZGPZSHVPFE-UHFFFAOYSA-N	409.467	3.616	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)cc1	44944932	ZOVABJXWYNZGIK-UHFFFAOYSA-N	415.540	3.545	10	20	HHCD	
CCOC(=O)c1ccc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1	96970810	BXCGEKJQGUHBDI-UHFFFAOYSA-N	408.454	3.803	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1Cc1ccccc1	97497187	PDIHJUMBPCYPMM-UHFFFAOYSA-N	420.582	3.977	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccccc3OC(F)F)CC2)cc1	237272982	JSYNNDBDMNPIAD-UHFFFAOYSA-N	405.489	3.599	10	20	HHCD	
COc1ncc(Cl)c(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	301686852	ILZYYEZZKXNDIK-UHFFFAOYSA-N	402.804	3.606	10	20	HHCD	
COc1cc(OC)c2cc(C(=O)NCc3c(C)c4ccccc4n3C)[nH]c2c1OC	473259830	NUUNPUZGVKRDDA-UHFFFAOYSA-N	407.470	3.924	10	20	HHCD	
CC(C)N(Cc1cccs1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	726101047	AQPYICPZRYVCGE-GOSISDBHSA-N	414.575	3.570	10	20	HHCD	
Cc1[nH]c2ccccc2c1CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	726982906	DMTXYZYARNLDCJ-UHFFFAOYSA-N	406.530	3.697	10	20	HHCD	
CCOC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)nc2)nc1-c1ccccc1	727246209	QDZNHALGXTYJGO-UHFFFAOYSA-N	423.903	3.836	10	20	HHCD	
CCCC(=O)N1CSC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	727303878	XONVGJHDQITGKB-FQEVSTJZSA-N	415.559	3.576	10	20	HHCD	
COC(=O)c1cc(CN(C)Cc2c(O)ccc(C(=O)c3ccccc3)c2O)oc1C	728194295	JHMMAZDRPZGSHH-UHFFFAOYSA-N	409.438	3.649	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCN(Cc3ccsc3)CC2)c1O	728195913	UBIICAZNJCVEEV-UHFFFAOYSA-N	408.523	3.708	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc([N+](=O)[O-])c1	728833699	KGXFCPQORCSJRD-UHFFFAOYSA-N	418.453	3.647	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc(OC)cc3)cc2F)CC1	730123943	ZYPJVPCVZHVMMP-KRWDZBQOSA-N	414.525	3.537	10	20	HHCD	
COCCOc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	731991101	OATXIJDLNFKEFO-UHFFFAOYSA-N	420.456	3.712	10	20	HHCD	
CC[C@H]1c2ccsc2CCN1C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	732203588	XNCPTXFURKPHOL-ICSRJNTNSA-N	414.571	3.971	10	20	HHCD	
COc1ccc(O)c(CNCc2sc(N3CCOCC3)nc2-c2ccccc2)c1	734003524	MGSNZEUZTBWVNJ-UHFFFAOYSA-N	411.527	3.651	10	20	HHCD	
CCN(CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C(=O)OC(C)(C)C	734432560	LAPRNLYWJJUARO-HXUWFJFHSA-N	419.566	3.517	10	20	HHCD	
CN(C)c1ccc(CNc2ncnc3ccc(I)cc23)cc1	735918672	QBFDPWFQEGSYIP-UHFFFAOYSA-N	404.255	3.913	10	20	HHCD	
Cc1ccccc1C1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCOCC1	736196039	QJTARBZBUIEKHI-UHFFFAOYSA-N	422.569	3.568	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCNc2nccc(C(F)(F)F)n2)cc1	739044756	BKRPHVMRAAFIKP-UHFFFAOYSA-N	424.471	3.595	10	20	HHCD	
CCN(CC)C(=O)c1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1	740906185	BZHCAAFNUPMANC-UHFFFAOYSA-N	406.530	3.544	10	20	HHCD	
CCc1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1S(N)(=O)=O	742422339	XCPMTAJWZOFIPH-UHFFFAOYSA-N	403.529	3.618	10	20	HHCD	
CC(C)Nc1ncccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	743330089	ZTGGLSSHRJMYLT-UHFFFAOYSA-N	404.461	3.902	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Oc1cccc(Cl)c1	743555166	RIRUWBDZCLHTHD-OAHLLOKOSA-N	421.900	3.582	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1c1ccccc1	743555455	YYYBCRRKICCCJS-GHTZIAJQSA-N	411.521	3.998	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@@H](O)COc1cccc(C(C)=O)c1	743873300	NYBLGWJXMQMEIT-GOSISDBHSA-N	422.319	3.619	10	20	HHCD	
CCCn1ccc2ccc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)cc21	743900499	JJAKDGHBYPWGAN-UHFFFAOYSA-N	404.514	3.689	10	20	HHCD	
O=C(COC(=O)c1cccc2cc[nH]c12)Nc1cccc2c1C(=O)c1ccccc1C2=O	745541276	HOMWQSXEXOGVME-UHFFFAOYSA-N	424.412	3.739	10	20	HHCD	
Cc1ncc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	745903677	LSEOXLUULPFHSD-CQSZACIVSA-N	410.490	3.863	10	20	HHCD	
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	748626581	DIAWNUALOYTEHR-QHCPKHFHSA-N	411.546	3.738	10	20	HHCD	
CCCCNC(=O)[C@H]1CSCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	748752835	NXFOSORKAIVHLE-HXUWFJFHSA-N	415.559	3.534	10	20	HHCD	
Cc1cc(C(=O)Cn2cccc([N+](=O)[O-])c2=O)c(C)n1-c1ccc(OC(F)F)cc1	750554493	SDHGFESAHLMFQO-UHFFFAOYSA-N	417.368	3.648	10	20	HHCD	
O=C(CCOc1ccccc1[N+](=O)[O-])Nc1c(-c2ccccn2)nc2ccccn12	751305463	FMMQGGVJBQRRRP-UHFFFAOYSA-N	403.398	3.712	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)Cc3ccc4c(c3)NC(=O)C4)c2C)c1	752060607	XCYLZIZWXKNWJY-UHFFFAOYSA-N	416.477	3.866	10	20	HHCD	
CS(=O)(=O)N1CC[C@@H](CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	753278227	HPHLGEHPYQXOFL-HNNXBMFYSA-N	401.492	3.505	10	20	HHCD	
C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	754060885	GDJOTLBTANUQBB-OAHLLOKOSA-N	404.913	3.935	10	20	HHCD	
CC(=O)N1CC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc21	757790051	JQHBZXQBVYKCOW-TZIWHRDSSA-N	423.513	3.581	10	20	HHCD	
Oc1c(Br)cccc1CNc1nnc([C@@H]2COc3ccccc3O2)o1	758451107	XPECRRVDSHSMCY-AWEZNQCLSA-N	404.220	3.662	10	20	HHCD	
COc1cc(N2CCN(C(=O)CC[C@@H](C)c3ccccc3)CC2)cc(OC)c1OC	759238628	OAJCFDUSSBZPJM-GOSISDBHSA-N	412.530	3.945	10	20	HHCD	
Cc1ccc(CCC2CCN(C(=O)COC(=O)/C=C\c3ccc(O)c(O)c3)CC2)cc1	759594545	GWNJVKJTLFFZMV-LUAWRHEFSA-N	423.509	3.834	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCS(=O)(=O)C1	762670082	CUTFRBHQXUYUKJ-INIZCTEOSA-N	414.531	3.675	10	20	HHCD	
C[C@@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1Cl	765073107	HKBPMYMQVKTVBW-CABCVRRESA-N	405.892	3.711	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)NCc3cccc(Br)c3O)cc2)CCO1	765295881	VOFMFTHYLRZREZ-ZDUSSCGKSA-N	420.307	3.702	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(NC(C)=O)c(F)c1	765423067	BBKGPLZZZNIEHL-UHFFFAOYSA-N	409.255	3.915	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cnn1CC(C)C	766358906	ZJXLHMDEADTEKA-UHFFFAOYSA-N	424.467	3.633	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3ncco3)cc2)cc1F	766573407	JWIAYSCKIZRXBA-UHFFFAOYSA-N	410.449	3.582	10	20	HHCD	
COc1ccc(-c2nc(NS(=O)(=O)c3cc(OC)cc(OC)c3)sc2C)cc1	767713875	BJGDXSPUCQTAJY-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc3c(cc2O)CCCC3)CC1	768441560	KEMQRAJWJSLAJV-UHFFFAOYSA-N	408.498	3.850	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(C)c1Br	769264007	ZKWWTLIAKAXXJS-UHFFFAOYSA-N	418.335	3.811	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c[nH]nc1-c1ccc(OC)cc1	769380991	YWLKEKMJFWGVCZ-UHFFFAOYSA-N	415.877	3.620	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncoc1-c1ccc(F)cc1	771403807	VKQPYRHUOCTSKP-UHFFFAOYSA-N	413.424	3.511	10	20	HHCD	
C[C@H](NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(N2CCOCC2)cc1Cl	773044719	RINJRGZDWZKNOB-AWEZNQCLSA-N	415.900	3.952	10	20	HHCD	
Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)n(-c2ccccc2)n1	773047593	JGRIOUFMLKIDCS-MRXNPFEDSA-N	409.509	3.816	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CNC(C)(c3ccccc3)c3ccccc3)nc12	775365848	VOCJFDPGHOFDCS-UHFFFAOYSA-N	416.481	3.665	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](C)c2ccc(Br)cc2)c1	775370776	IEQUBBCZYYYRCP-OLZOCXBDSA-N	407.308	3.691	10	20	HHCD	
CC[C@H](NCCNC(=O)c1c(F)cccc1F)c1cc(Br)ccc1O	775521164	SCUPJGAPHKJOPQ-HNNXBMFYSA-N	413.262	3.904	10	20	HHCD	
C[C@@H]1C[C@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1Cc1ccccc1	775688523	SUNJONYWWMBCAT-ATIYNZHBSA-N	406.618	3.923	10	20	HHCD	
COc1cccc2cc([C@H](C)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)oc12	776159409	WIBSGAAXVCHCIH-QFBILLFUSA-N	407.514	3.994	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3ccccc3SC)cc2F)CC1	776900438	FRGQXUZMLKZVPC-UHFFFAOYSA-N	401.551	3.548	10	20	HHCD	
CCOC(=O)[C@@H](NCc1cccc(OC)c1O)c1ccc(OC)c(Br)c1	779178767	RKWMWUUYJZSGAJ-KRWDZBQOSA-N	424.291	3.566	10	20	HHCD	
COc1cc(O)c(CN2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)cc1OC	779611327	GPGSXIJMRVRSBJ-FQEVSTJZSA-N	423.513	3.785	10	20	HHCD	
CCOC(C)(C)CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	781765421	GEJRKJMNDDRVNU-SDNWHVSQSA-N	412.602	3.661	10	20	HHCD	
CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(C)c(O)c1O	781807811	JANYWRLUSUWVRZ-UHFFFAOYSA-N	400.475	3.672	10	20	HHCD	
Cn1ccnc1-c1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1	784107826	HQKFPGZSPSNABX-UHFFFAOYSA-N	417.513	3.831	10	20	HHCD	
CN1CCC(n2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)n2)CC1	786700346	YNWJCDFMTNPYSR-UHFFFAOYSA-N	409.490	3.683	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccccc1OC(F)F	787375119	UHYUFMJIOADDDH-OAHLLOKOSA-N	420.456	4.000	10	20	HHCD	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788936996	LXHXOQQYVRAJCX-TZIWHRDSSA-N	405.542	3.616	10	20	HHCD	
CCO[C@@H]1C[C@](O)(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1(C)C	789621112	MIDWGDHNRRYWQX-XXBNENTESA-N	424.501	3.723	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc12	790409929	XCVKAFSKVAQVRJ-UHFFFAOYSA-N	408.863	3.802	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(N3CC[C@@H](N(C)C)C3)cn2)c(C(F)(F)F)c1	793029177	YWFSNDZPHLUMLN-GOSISDBHSA-N	407.484	3.919	10	20	HHCD	
Cc1nc2cc(F)c(F)cc2n1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	793731047	PNMZLYCRVYHHAV-INIZCTEOSA-N	415.440	3.536	10	20	HHCD	
CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807675639	ZGUKGQGEBFGNSR-MSOLQXFVSA-N	411.546	3.732	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H](c1ccccc1F)N1CCOCC1	807838464	SEWRBROYHFOUTH-QGZVFWFLSA-N	413.276	3.528	10	20	HHCD	
C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N2CCOCC2)cc1Cl	812740019	KOXOPVBROMXPJT-HZPDHXFCSA-N	417.912	3.772	10	20	HHCD	
Cc1cc(CNCc2ccc(OCc3ccccc3)cc2O)nc(N2CCCC2)n1	814178244	IVLAJCIKONARJJ-UHFFFAOYSA-N	404.514	3.960	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc4c(c3)CCCC4=O)cc2F)C[C@@H](C)O1	815062154	GSTWPKNOKLNRAG-HZPDHXFCSA-N	410.489	3.888	10	20	HHCD	
O=C1COc2ccc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2N1	818785900	JYSZZMYRXLRPDP-UHFFFAOYSA-N	421.887	3.595	10	20	HHCD	
C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)Cc1ccc(N2CCOCC2)cc1	857758515	JBCBPJPATIMPIC-GHTZIAJQSA-N	413.587	3.769	10	20	HHCD	
COCCc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	914851090	VPINOIRSYMYBBR-UHFFFAOYSA-N	419.484	3.708	10	20	HHCD	
CCOc1ncccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	916681152	UZUMGYROAQEALR-GJZGRUSLSA-N	402.470	3.555	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cnc21	916681473	GXKSPKBUMJHXDJ-IBGZPJMESA-N	409.490	3.931	10	20	HHCD	
Cc1cc(C)n(-c2cccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2)n1	916684322	GOKYWPVVGDNHHP-UHFFFAOYSA-N	423.492	3.787	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccc(Cl)s2)on1	917708119	GNJIDLIVHVBHFG-UHFFFAOYSA-N	421.881	3.962	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccc(Br)s3)CC2)cc1	918007398	YUVPUKRXMFVRLU-UHFFFAOYSA-N	424.364	3.941	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)Cn2cccn2)c(C)n1-c1ccccc1Br	918110620	NGZLHZYVSPBATL-ZDUSSCGKSA-N	401.308	3.872	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccnc3)cc2F)C[C@@H](C)O1	918221033	NCNQSOJTEOQVIL-FVJLSDCUSA-N	412.509	3.881	10	20	HHCD	
CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1	918745332	ATIHYQIEIRLAQI-HNNXBMFYSA-N	423.604	3.611	10	20	HHCD	
CNC(=O)c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	919652802	OGVRYHCGWLLBRJ-UHFFFAOYSA-N	406.486	3.940	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1F	1115959538	UBMOWYOQFYHZRM-NRFANRHFSA-N	410.493	3.549	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(OC)cc3OC(F)F)CC2)cc1	1116740824	KBBKBDIORDSCLE-UHFFFAOYSA-N	406.429	3.658	10	20	HHCD	
Cc1ccc(-c2noc(CCC(=O)Nc3c(Cl)ccc4nonc34)n2)cc1F	1323484449	WIISJBRGPSYMKB-UHFFFAOYSA-N	401.785	3.945	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cc1	1326379233	FFUCQGYKPGXVTH-GOSISDBHSA-N	419.447	3.794	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1	7354541	WDTSUXRTNBKYSO-OAHLLOKOSA-N	409.446	3.537	10	20	HHCD	
O=C1N=C(NC2CCCCC2)S/C1=C\c1cc2ccccc2nc1N1CCOCC1	23779249	KKULFMYLKRIZMW-HKWRFOASSA-N	422.554	3.964	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccco4)C3=O)c2C)c1	44030682	RHZDQQRGUNJHOV-HSZRJFAPSA-N	405.454	3.645	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCc3c(C)nc(SC)nc3C)CC2)cc1	110362693	WLNWCWXZIXSTPW-UHFFFAOYSA-N	414.575	3.542	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2cccc(Cl)c2)no1	116319405	FMFUAUSEZWGLER-UHFFFAOYSA-N	415.852	3.901	10	20	HHCD	
Cc1ccc2nc([C@H]3CCCN3C(=O)NCc3ccc(N4CCOCC4)cc3)[nH]c2c1	141148517	VMDJOKVCPFVXOK-JOCHJYFZSA-N	419.529	3.755	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)n2)c(C)c1	195534214	FKPVXAOARDIMTN-UHFFFAOYSA-N	400.481	3.898	10	20	HHCD	
O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cc(O)ccc1[N+](=O)[O-]	448114604	VUEXHOGFWNFPLL-JXMROGBWSA-N	403.316	3.973	10	20	HHCD	
Cc1c(CNC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)n(C)c2ccccc12	471236744	ZWBYVZLLCKLTSQ-OAQYLSRUSA-N	413.468	3.836	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](Cc3nc[nH]n3)c3ccccc3)ccc21	506356659	OUTQNGGCZLJXMI-OAQYLSRUSA-N	417.513	3.736	10	20	HHCD	
COC(=O)[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc21	609511086	DAZGSEBYKGJGMM-FQEVSTJZSA-N	424.460	3.851	10	20	HHCD	
CCOCc1cc(CN[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)ccc1OC	725852316	XERGDYKGTYWAIS-SFHVURJKSA-N	411.546	3.949	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	725858385	PIEHNCVNNWEIFG-SJLPKXTDSA-N	404.555	3.587	10	20	HHCD	
O=C(NC1CCN(Cc2ccncc2)CC1)N(Cc1ccco1)Cc1ccccc1O	726101774	DFFFLZUXROBOFY-UHFFFAOYSA-N	420.513	3.757	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	726237785	MMUDHXCXESFYDC-JTAQYXEDSA-N	422.573	3.719	10	20	HHCD	
CCC(=O)Nc1cccc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	726704622	RFBALVUOPGQQHM-UHFFFAOYSA-N	410.518	3.512	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N(CC3CC3)C3CCCCC3)cc2)C1	727940371	HDLVCTIYGUMKNX-HXUWFJFHSA-N	412.578	3.643	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCc1cccnc1Cl)c2[N+](=O)[O-]	729695329	FPDMZENPYBDGNI-UHFFFAOYSA-N	422.780	3.776	10	20	HHCD	
CN(CCc1ccc(Br)cc1)CC(=O)N(C)Cc1ccc(N(C)C)cc1	730261528	MJORXYUFBXUTFU-UHFFFAOYSA-N	418.379	3.648	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@@H](c3ccccc3F)C2)c1	730453751	ANPIKFCXZVOAQD-GOSISDBHSA-N	412.505	3.556	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1	731281096	RRMNWCXKISWHCG-QHCPKHFHSA-N	424.589	3.693	10	20	HHCD	
C[C@H](CS(C)(=O)=O)N(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1	733310272	BTPWKCZIRKQNHV-MRXNPFEDSA-N	414.531	3.938	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCOC[C@H]1c1ccco1	735185741	NECJHXAESWPTOH-SFHVURJKSA-N	421.444	3.633	10	20	HHCD	
CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(C)ccc1-n1c(C)ccc1C)CC2	741733305	MZPQEBKDUIUVLB-UHFFFAOYSA-N	423.538	3.514	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](c1ccccc1F)N1CCOCC1	742589052	KWQLBGZDFYNWRG-QHCPKHFHSA-N	411.521	3.506	10	20	HHCD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	742689061	CUUNAHSQXDVGAD-YSZBQJHXSA-N	402.579	3.885	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C(F)(F)F)CC3)cc2F)C[C@H](C)O1	743555274	UVVODPJBMOZYMN-KBPBESRZSA-N	417.447	3.923	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)ccc1C(F)(F)F	743955930	NHVIQTRVKUOAQT-UHFFFAOYSA-N	406.404	3.853	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)c(C)n1-c1cccc(C(C)C)c1	744354346	FTTTWVVNPKWDCI-OAQYLSRUSA-N	408.546	3.847	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(NC(C)=O)cc1	745420662	NOTMCTGPDSLAEB-UHFFFAOYSA-N	420.307	3.845	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)nc2)cc1	746594628	FNPZENJNBGGNBZ-GOSISDBHSA-N	418.335	3.732	10	20	HHCD	
Oc1ccc2ccccc2c1CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	748303820	LJMMPWZAHVOTGZ-OAQYLSRUSA-N	416.569	3.975	10	20	HHCD	
COCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccc(OC)c(OC)c1	751396132	XGPOHSLSGKEQMN-UHFFFAOYSA-N	409.486	3.800	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3coc(-c4cccs4)n3)CC2)cc1F	753804085	JJUGUGIQAHWNMS-UHFFFAOYSA-N	416.478	3.583	10	20	HHCD	
CC(C)(C)O[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1	754061892	UOTIEUFXSZKUBZ-JOCHJYFZSA-N	414.521	3.959	10	20	HHCD	
COc1cc([C@@H](C)N[C@@H](C)c2ccc(Br)cc2O)ccc1OCCO	756462092	YVWZZRZXCNGRHP-OLZOCXBDSA-N	410.308	3.946	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2c(F)cc(F)cc2Br)cc1F	757851933	HNNDQTNVSCUAEP-UHFFFAOYSA-N	403.198	3.950	10	20	HHCD	
CN1CCN(CC2(C)CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)CC1	757964084	JTPNXUFSQUEDSX-UHFFFAOYSA-N	423.601	3.821	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(C)CC2(O)CCC2)sc(C)c1-c1ccccc1	759877274	OXCOROMICBVRDR-UHFFFAOYSA-N	416.543	3.686	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](c1ccccc1)C1CCOCC1	761357359	ZVSVWZLXUYSUFH-NRFANRHFSA-N	414.889	3.978	10	20	HHCD	
CCS(=O)(=O)c1cccc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	764227433	ODXUGLMNILQXGO-UHFFFAOYSA-N	413.495	3.550	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)CCOC(C)(C)C)c([N+](=O)[O-])c1Br	767819766	OGXXQGHMYGJGFZ-UHFFFAOYSA-N	406.233	3.525	10	20	HHCD	
COc1ccc(C(=O)N[C@@H](C(=O)N(C)Cc2ccccc2O)c2ccccc2)cc1	769279836	BPAPSSHBNSNNTN-JOCHJYFZSA-N	404.466	3.531	10	20	HHCD	
CN1CCN(C(=O)Cc2ccc(NCc3cc(-c4ccccc4)ccc3O)cc2)CC1	770493918	CVLMTYRPUNGOLP-UHFFFAOYSA-N	415.537	3.988	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)CC1	770543113	GWGLUQRLVUDEPF-UHFFFAOYSA-N	422.489	3.707	10	20	HHCD	
CCSCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)no1	771289993	MTFJCBSTLFKPRD-GOSISDBHSA-N	403.548	3.815	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccccc1OCC(F)(F)F)c1ccc(N(C)C)cc1	773844143	CLEVQFWGHJZLOK-ZDUSSCGKSA-N	409.408	3.510	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1ccc(N(C)C)cc1	775776160	FRXCNFKTUIBVKK-INIZCTEOSA-N	408.502	3.674	10	20	HHCD	
Cc1ccc([C@@H](CNCc2cc(Br)cc(C)c2O)N2CCOCC2)o1	775827751	WRDQRWLFJZJXFT-QGZVFWFLSA-N	409.324	3.528	10	20	HHCD	
Cc1cc(C(=O)NCCc2nnc(S)o2)c(C)n1-c1cccc(Br)c1	776535529	FXXMEKRWIMLNSN-UHFFFAOYSA-N	421.320	3.501	10	20	HHCD	
Cc1cc(F)c2nc(O)cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2c1	778935053	ULJLPYLIWTUIGA-MRXNPFEDSA-N	410.445	3.915	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn([C@@H](C)C4CC4)c3)cc2F)C[C@@H](C)O1	779506779	CUGRODOKOMPEMK-XHSDSOJGSA-N	415.513	3.929	10	20	HHCD	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785434929	XNLUSTGTKASDNO-JKSUJKDBSA-N	401.938	3.673	10	20	HHCD	
CC(C)[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	789854868	FTOZNPHFKQSPFK-PMACEKPBSA-N	417.619	3.577	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(C(=O)Nc4cccnc4)cc3)cc2)CC1	789876919	AGNWHDKRKUSZRH-UHFFFAOYSA-N	401.514	3.698	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)c(OC)c2)cc1	790911579	HWKLLPCHXILLIN-UHFFFAOYSA-N	423.435	3.815	10	20	HHCD	
CCc1oc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C(=O)OC	802643895	XCUUISGZDZXBHX-HUUCEWRRSA-N	404.482	3.671	10	20	HHCD	
C[C@@H](CCOCc1ccccc1)NC(=O)NCc1cccc(Br)c1O	807607214	MQNRVMPGWYCXKP-AWEZNQCLSA-N	407.308	3.949	10	20	HHCD	
Cc1nc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1-c1ccccc1	810388554	YUERBOXVGWKDDX-MRXNPFEDSA-N	402.498	3.939	10	20	HHCD	
O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2	824026308	NQVSZUYDNBTZIY-DTIYTBBWSA-N	400.504	3.796	10	20	HHCD	
Cc1ccc(F)c(OCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	857456950	RWTWOXLWGFFBAT-HNNXBMFYSA-N	408.420	3.900	10	20	HHCD	
CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)sc2C1	857483334	XWCWEEJIUYDVFX-LLVKDONJSA-N	423.560	3.624	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1	916502370	AUBYHHLDNGYQIQ-UHFFFAOYSA-N	408.951	3.666	10	20	HHCD	
CCNC(=O)c1ccc(C)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	916680037	CQFLTQYBXDLNSA-LJQANCHMSA-N	411.502	3.663	10	20	HHCD	
CCN(CC)Cc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1	918699579	MNCQPZIIEMHWSR-IRXDYDNUSA-N	417.525	3.804	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1	920868019	ZYJSUCIVEYOEER-CVEARBPZSA-N	417.937	3.863	10	20	HHCD	
CCCN(CC)C(=O)c1ccc(C(=O)N2CCN(c3ccc(OCC)cc3)CC2)cc1	1336532346	RKOMYDZUEGLKKA-UHFFFAOYSA-N	423.557	3.920	10	20	HHCD	
Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1ccc(Br)cc1	24997613	IKIDOKMQNDLYCC-UHFFFAOYSA-N	419.319	3.836	10	20	HHCD	
CCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1	32455131	DZCXJFIUZYCYFB-UHFFFAOYSA-N	404.514	3.544	10	20	HHCD	
COc1ccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)CCCN4C)o2)cc1	303024468	VIXFTFLBZDSCFX-UHFFFAOYSA-N	424.526	3.536	10	20	HHCD	
N#Cc1ccc(OC[C@H](O)CN(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1	303109575	BESXFYPZWULONA-LJQANCHMSA-N	422.506	3.837	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)n(C)c2ccccc12	472805279	FVPMYZFCXTUMGO-UHFFFAOYSA-N	415.440	3.807	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)SC2=S)cn1	726197770	YESKREKSYIOZLY-MLPAPPSSSA-N	410.318	3.777	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H](c1ccccc1)[C@H]1CCCO1	726707300	UREXJORBISDOKM-DNQXCXABSA-N	423.557	3.615	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2ccc(F)c(F)c2)nc1-c1ccccc1	727251433	YCLYFRWSQOOLEG-UHFFFAOYSA-N	424.450	3.605	10	20	HHCD	
CCCOC(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1	727834328	JPGXOKIFBJLJMY-UHFFFAOYSA-N	404.532	3.530	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1	728962665	WFANAMHGJYTKTH-UHFFFAOYSA-N	422.466	3.559	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)c(C)n1-c1ccc(F)cc1	730089584	GSDOGOKCEXIHJS-OAHLLOKOSA-N	413.522	3.670	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3cccc(Cl)c3)cc2F)CC1	730111374	DAOHOTVXCNQWFF-UHFFFAOYSA-N	404.917	3.620	10	20	HHCD	
CC(=O)N(CCC(=O)NCc1ccc(N2CCC(C)CC2)cc1)Cc1ccccc1	731015547	ZHNOMDDEFVOLGO-UHFFFAOYSA-N	407.558	3.978	10	20	HHCD	
COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3O)[C@H](c3ccco3)C2)cc1	731843041	OYJNQHGZHJRXKP-NRFANRHFSA-N	419.481	3.804	10	20	HHCD	
C[C@@H](CCC1CCCCC1)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	734537126	WWPXRZZEZRXBNY-RXVVDRJESA-N	414.594	3.937	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	734687313	UPMQOGKORUKOFT-HXUWFJFHSA-N	418.582	3.992	10	20	HHCD	
COc1cccc(OCCCNC(=O)NCc2ccc(N3CCSCC3)cc2)c1	738458286	CDHGWDFKKRZHKL-UHFFFAOYSA-N	415.559	3.517	10	20	HHCD	
CSc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	740656302	YMQPWQSHUHIPCJ-SJORKVTESA-N	400.544	3.890	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CN2CCN(C)CC2)cc1	742245469	KGQILBDRAUDVPC-UHFFFAOYSA-N	408.590	3.551	10	20	HHCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1	743410249	JHLKCKMHIFVYCB-YWZLYKJASA-N	414.502	3.919	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NCc1coc(-c2ccccc2)n1	743554403	CZWZFHZQPBWBCD-UHFFFAOYSA-N	408.527	3.894	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)C[C@H]3c3cccc(F)c3)CC2)cc1	743854826	OAANTFPCSMLJHS-MBSDFSHPSA-N	411.521	3.566	10	20	HHCD	
CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	745183001	KVGLGRXGIUHLMJ-MRXNPFEDSA-N	415.509	3.746	10	20	HHCD	
Cc1ccc(Br)cc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	745254480	XXZDCGZITHOPMU-UHFFFAOYSA-N	419.319	3.639	10	20	HHCD	
Cc1ccccc1[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@@H](C)CO1	745747494	VVBJRUSIMKUFRU-WMZHIEFXSA-N	409.530	3.503	10	20	HHCD	
CCN(CCc1cccs1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	746947813	VBIRTOUGFAYNAB-UHFFFAOYSA-N	405.539	3.623	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1	747387734	GYGDWPQKLMNQIP-KRWDZBQOSA-N	424.501	3.867	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1F	747658939	WRXFAWFITVCJRG-GOSISDBHSA-N	412.427	3.579	10	20	HHCD	
O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCOCC2)cc1	748035820	NRUXRQOBUAVJQP-LJQANCHMSA-N	409.313	3.570	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CCN(CC(F)(F)F)CC1	748967540	PBOULYMDFDEDHS-UHFFFAOYSA-N	414.516	3.949	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC2CCN(C3CCN(C)CC3)CC2)c1	749601998	YLFIYJVDEAORPI-UHFFFAOYSA-N	408.590	3.691	10	20	HHCD	
Cc1ccc(N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1	751216075	AMDXHHBXYIYVRI-UHFFFAOYSA-N	400.390	3.955	10	20	HHCD	
CC[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(OC)cc1	751663395	CBFUXMHHUQJIMN-PZJWPPBQSA-N	423.557	3.597	10	20	HHCD	
CC(C)N(C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCCC1	751932692	XIHYTOKCBZEIOA-UHFFFAOYSA-N	401.532	3.653	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3cccc(OCC(F)F)c3)CC2)cc1F	753893362	MOZQUHFBWHRVSX-UHFFFAOYSA-N	423.435	3.510	10	20	HHCD	
C=CC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	754554446	ZPRJBQPTPGJPSW-UHFFFAOYSA-N	410.429	3.517	10	20	HHCD	
CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754661247	JBWWMNIMYCMXOA-YJBOKZPZSA-N	413.509	3.599	10	20	HHCD	
C[C@H]1CN(CCCN[C@H](C)c2cc(Br)cc(Cl)c2O)C[C@@H](C)O1	756367504	NBXVQJWNBIFOEH-FRRDWIJNSA-N	405.764	3.958	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(Br)cc(F)c1O	756544722	VIGIBZDJHQVCEM-KOLCDFICSA-N	420.225	3.663	10	20	HHCD	
CCCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1	759476673	XSFAUWYOSIALQB-FQEVSTJZSA-N	414.531	3.940	10	20	HHCD	
CCCC(=O)Nc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	761061742	NPOBGMVMYAJZTH-UHFFFAOYSA-N	415.877	3.749	10	20	HHCD	
CCN(CC)c1ccc(CN2C(=O)N[C@@H](c3ccc(OC)c(F)c3)C2=O)cc1F	761249610	KWOQFRZKTXUIMY-IBGZPJMESA-N	403.429	3.613	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@H]1CCCN1Cc1ccccc1	764781629	ADRWMCKYCVFZDH-QGZVFWFLSA-N	418.335	3.619	10	20	HHCD	
Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)cc2)nnn1-c1cccc(Cl)c1	765283667	WHAOFTZLGILAOD-MRXNPFEDSA-N	411.937	3.917	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(OCCN(C)C)c1	765285722	FEZYJBHVWKTGPZ-GOSISDBHSA-N	415.553	3.578	10	20	HHCD	
C[S@](=O)C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1	765638957	QUTRWVFQJFHQLG-GDJIYFAZSA-N	401.532	3.795	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cnn(-c2ccc(Cl)cc2)c1	765725995	BNVNNYUHJPGUGN-UHFFFAOYSA-N	406.667	3.924	10	20	HHCD	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)ccc21	767673117	WLZZVMYNBSLVME-UHFFFAOYSA-N	407.498	3.600	10	20	HHCD	
CCCc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1	768401724	PUCTTYOEBUXAIT-GFCCVEGCSA-N	421.478	3.917	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)c1	768909661	AFPJBHJVPCURDY-OPAMFIHVSA-N	404.466	3.749	10	20	HHCD	
CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769209182	QLRZTERJPGIMIE-LJQANCHMSA-N	402.539	3.713	10	20	HHCD	
CC(C)(NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1cccs1	769871623	KRQYHBQAPQNOAX-UHFFFAOYSA-N	422.553	3.981	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc2c(c1)CCCO2	771596640	RIZIKODHZYATDU-UHFFFAOYSA-N	416.480	3.665	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(-n4ccnc4S)cc3)c2)CC1	771638039	XKBSYCIKHAJCSO-UHFFFAOYSA-N	407.543	3.555	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C(=O)OC(C)(C)C	772489816	NIAUARJYLPOXSN-APWZRJJASA-N	416.566	3.656	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1)c1ccc(N(C)C)cc1	773860511	ZXGIJLWHVGDVLK-CYBMUJFWSA-N	412.490	3.831	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1	775374757	DQOGRINVEMOVEM-CABCVRRESA-N	400.475	3.644	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1	775577445	NOISAVZCBNGGII-INIZCTEOSA-N	405.539	3.673	10	20	HHCD	
O=C(NCc1nc(CNCc2cc(Cl)cc(F)c2O)cs1)c1ccccc1	776231294	MRLYVJKYZDQKDX-UHFFFAOYSA-N	405.882	3.861	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F	779513412	GZJKTWCGZHDMDR-UXBLZVDNSA-N	408.433	3.874	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1)C1CCCCC1	780345470	IEBITQXDZJUJAU-UHFFFAOYSA-N	412.578	3.609	10	20	HHCD	
Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1O	780922679	XTNWYXGOHQJHEK-SJORKVTESA-N	404.507	3.800	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCCCn1ccnc1	782677583	VYIZBVCQRZLYDE-NTCAYCPXSA-N	421.569	3.560	10	20	HHCD	
CCN(CC)CCOc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	789834751	HLFXMJHQVITOEL-INIZCTEOSA-N	401.507	3.571	10	20	HHCD	
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	789835375	FZNPMCXKNQVNRY-CVEARBPZSA-N	411.502	3.865	10	20	HHCD	
Cc1cc(C(=O)N2CCn3cnnc3[C@H]2C)c(C)n1-c1cccc(Br)c1	791161897	OBCGKWBOKYZXBQ-CQSZACIVSA-N	414.307	3.665	10	20	HHCD	
Cc1ccc(CN(C[C@H]2CCCS(=O)(=O)C2)c2ccc3c(c2)OCCO3)s1	792873502	UBPZTWPEFCABMF-MRXNPFEDSA-N	407.557	3.659	10	20	HHCD	
CCOC1(C)CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1	794631816	HHJAWPZWUGLNGN-UHFFFAOYSA-N	412.530	3.939	10	20	HHCD	
COCc1cc([N+](=O)[O-])ccc1N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	795240766	GKPQRKINYDFLMD-UHFFFAOYSA-N	421.453	3.564	10	20	HHCD	
C[C@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1ccc(N2CCCCCC2)cc1	797087171	RECCHKDZLLYJLB-BHUCMGRMSA-N	412.622	3.801	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C	798507715	MYLBHYXOEDZIRR-IBGZPJMESA-N	409.546	3.691	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)cn1	799636068	FNHFQCLPIJXKEN-UHFFFAOYSA-N	411.892	3.677	10	20	HHCD	
CC(=O)Nc1nc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cs1	800049055	LTWIHCJVSAMIPW-GFCCVEGCSA-N	406.939	3.921	10	20	HHCD	
CCC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCCCC1	803300606	UOMDNOOJPGJXPS-AVRDEDQJSA-N	415.578	3.566	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(Cl)s1	803688075	UTMPKZCIIQWLCM-OAHLLOKOSA-N	405.951	3.668	10	20	HHCD	
CC[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CC)Cc2cc(Br)ccc2O)C1	807166978	QIZQIUUIDYDUQA-CZUORRHYSA-N	411.340	3.588	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2oc(C3CC3)nc2c1	807512646	BMOTUTSMMZXBNX-UHFFFAOYSA-N	420.252	3.973	10	20	HHCD	
Cc1nn(C)cc1S(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1	808072699	PJMVALYQDMTSQX-UHFFFAOYSA-N	400.485	3.512	10	20	HHCD	
COc1ccc(N(C)Cc2cn(-c3ccccc3Br)nn2)cc1OC	811490347	PRFUSMRYKJGOSP-UHFFFAOYSA-N	403.280	3.683	10	20	HHCD	
COc1cc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c([N+](=O)[O-])cc1OC	811763826	JSBNATMEFKRQEG-UHFFFAOYSA-N	420.535	3.688	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCOC1	812395650	FEMYKBNXHIKPNW-FQEVSTJZSA-N	406.530	3.832	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCC[C@H](O)CC2)sc(C)c1-c1ccccc1	815299928	VQLYDKVLUQORBW-KRWDZBQOSA-N	416.543	3.686	10	20	HHCD	
CCOc1nc(C)ccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857473372	XYJPQYSBJAUMKC-KRWDZBQOSA-N	403.910	3.542	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1	914438481	ALWGFDWVQHBDSL-UHFFFAOYSA-N	401.551	3.891	10	20	HHCD	
Cc1cc(CN(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)no1	915195006	QVOOCSADPCGZBC-GDNBJRDFSA-N	421.569	3.685	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1C	917758118	IKUIPDKEOALHQK-UHFFFAOYSA-N	422.450	3.576	10	20	HHCD	
O=C1NCCN(Cc2ccc(N3CCCC3)cc2)[C@@H]1c1ccccc1Br	1254018417	JMIVVGRHXWKACG-HXUWFJFHSA-N	414.347	3.722	10	20	HHCD	
CS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	1322504443	ZNWOJHPPHRNWQZ-CIRFHOKZSA-N	409.571	3.865	10	20	HHCD	
Cc1ccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1C	1322788260	RKTGGJJVTPVZJT-LFIBNONCSA-N	419.597	3.693	10	20	HHCD	
O=C(OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)c1cccc(O)c1O	1324591366	CKAIQCBKUFDGRN-UHFFFAOYSA-N	403.740	3.504	10	20	HHCD	
O=C(CCc1nc(-c2ccccc2)no1)N(Cc1ccccc1O)C[C@@H]1CCCO1	1335410119	OOIILVUVHBIQCH-IBGZPJMESA-N	407.470	3.583	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1	65451070	KLSLYIUONRYJKY-QGZVFWFLSA-N	408.502	3.533	10	20	HHCD	
O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)SC(=S)N1c1ccccc1	115884914	RVLHBAMLLKHBJJ-SXGWCWSVSA-N	400.437	3.772	10	20	HHCD	
COCCOCc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	142024281	BOQFTXRXIQQNLP-GOSISDBHSA-N	413.518	3.569	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1nc(-c2cccc(F)c2)no1	237390939	OLWKEVRMHUCETC-CQSZACIVSA-N	400.429	3.702	10	20	HHCD	
Cc1c(CNC(=O)Nc2ccc3ccn(CC(=O)N(C)C)c3c2)n(C)c2ccccc12	467943062	MOXOUIOIXWJUTC-UHFFFAOYSA-N	417.513	3.851	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1cc(-c2ccccc2)on1	726527140	IUXJDQNBDXTMKT-UHFFFAOYSA-N	420.513	3.575	10	20	HHCD	
O=C(/C=C/c1ccc2c(c1)OCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566186	JULMRQJIRCDNHZ-KRXBUXKQSA-N	416.424	3.815	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1-n1cccn1	726567834	QQTGMJYCVYSJHD-UHFFFAOYSA-N	412.440	3.873	10	20	HHCD	
Cc1nn(CCC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c(C)c1[N+](=O)[O-]	726646435	ALEOUVLZPJTHMI-UHFFFAOYSA-N	424.457	3.632	10	20	HHCD	
C[C@@H](NS(=O)(=O)/C=C\c1ccccc1Cl)c1ccc(N2CCOCC2)cc1	727458480	ZSEMEAZMUVRDAJ-DDITZMBXSA-N	406.935	3.828	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1	727670523	BZIXUWURUUWUMT-UHFFFAOYSA-N	423.463	3.971	10	20	HHCD	
Cc1ccnc(-c2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2)n1	734655949	PMEXOHLKQMKMGK-UHFFFAOYSA-N	421.476	3.749	10	20	HHCD	
COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1	741056451	FNLBQBAMENENJZ-UHFFFAOYSA-N	420.513	3.771	10	20	HHCD	
Cc1cc(Br)c(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)s1	742285594	HIULSYDODZNBBA-UHFFFAOYSA-N	415.378	3.680	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCc3cccc(C(=O)N(C)C)c3)cc2)CC1	743600611	PRKQRCOLNTXLIH-UHFFFAOYSA-N	422.573	3.667	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C	743666794	RAGWRESBNBBRND-UYAOXDASSA-N	418.582	3.944	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)c1O	745483244	RDFAUWJOZXBJKM-HDICACEKSA-N	411.546	3.878	10	20	HHCD	
Cc1c(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cccc1[N+](=O)[O-]	747823242	CWHHQJFTUUXSQR-OAQYLSRUSA-N	411.502	3.720	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	749127679	BSDHTKNIDDDHLL-IBGZPJMESA-N	423.985	3.999	10	20	HHCD	
O=C(CCN(Cc1ccccc1O)C[C@@H]1CCCO1)N[C@@H]1CCCc2ccccc21	749294997	AHEGZCHBEXCFAT-JTHBVZDNSA-N	408.542	3.957	10	20	HHCD	
O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c(-c2ccccn2)nc2ccccn12	751303735	ZORWRTYJGIXZOW-UHFFFAOYSA-N	402.414	3.745	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCC(=O)c3cc(C)sc3C)CC2)cc1F	753741483	GRJNIITWTWEIPH-UHFFFAOYSA-N	404.507	3.824	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CO[C@@H]2CCOC2)c(C)n1-c1ccc(Br)cc1	753788080	VAJIOXMGLPCVGR-SCLBCKFNSA-N	421.335	3.780	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@H](C)c3cccc4ccccc34)CC2)cc1	754104783	GQSRSSQLNXVRCT-NFBKMPQASA-N	419.569	3.682	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cc(F)cc([N+](=O)[O-])c1Br	754636345	OAQKFZZNBYLLKM-UHFFFAOYSA-N	420.285	3.865	10	20	HHCD	
C[C@@H](NCC(=O)NC1CCCC1)c1cc(Br)cc(Br)c1O	756703563	ACPRGAHJVFAAEM-SECBINFHSA-N	420.145	3.627	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1CCC(F)(F)F	757265201	GSHPRELZPAQSTN-UHFFFAOYSA-N	407.436	3.811	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cc(Br)ccc1O	757637633	INVZGRLDWQTBPP-KDOFPFPSSA-N	405.336	3.572	10	20	HHCD	
COc1ccc(C(=O)Nc2ccc(C(=O)NCc3cc(OC)ccc3O)s2)cc1	758295107	SLLKRZHGHQQSKW-UHFFFAOYSA-N	412.467	3.653	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC3CCC(O)(c4ccccc4)CC3)CC2)cc1	760992182	RMZWGDWTJZLAEA-UHFFFAOYSA-N	423.557	3.794	10	20	HHCD	
COc1cc(Cl)cc(CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1O	761194700	FBOUZBWCRNGZOW-UHFFFAOYSA-N	413.276	3.805	10	20	HHCD	
CC(C)(C)NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1	765944871	QHSCSYLZXZXPDO-UHFFFAOYSA-N	404.319	3.783	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CCc2ccccc2F)C2CCCC2)c1	769739097	QPRAATPMCTZUGS-UHFFFAOYSA-N	420.506	3.530	10	20	HHCD	
Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	769944706	WSXWDZRORGWGHG-UHFFFAOYSA-N	406.504	3.640	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(Br)cc3F)c2)CC1	770148156	PXAYLNMNQAVLKY-UHFFFAOYSA-N	406.299	3.982	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(Nc4ncccn4)c3)c2)CC1	771635835	IFVAJFKPBVFRFT-UHFFFAOYSA-N	402.502	3.614	10	20	HHCD	
CCC(=O)N1CC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1	773221747	AYXQJBSSRROLBL-IBGZPJMESA-N	410.514	3.695	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	773618403	PVNTVYAQLQAQHL-RDTXWAMCSA-N	400.910	3.572	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cccc(Cl)c3F)cc2F)C[C@H](C)O1	774792754	RUHUMUIZPWZTCL-KBPBESRZSA-N	424.875	3.927	10	20	HHCD	
C[C@@H](NCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc(N2CCOCC2)cc1	775259269	QFUPTYFTKYZLGG-WOJBJXKFSA-N	421.585	3.930	10	20	HHCD	
Cc1cc(Br)cc(CNCCCC(=O)N2CCc3ccccc32)c1O	776167077	APMOHMDWLZVGLW-UHFFFAOYSA-N	403.320	3.922	10	20	HHCD	
CC[C@@]1(CO)CCCN(Cc2cc(Br)cc(Br)c2O)C1	779210917	RVCURFCTJDCGMT-OAHLLOKOSA-N	407.146	3.902	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)C2CCCCC2)cc1	784058384	SQGNTYVQWKCPMK-UHFFFAOYSA-N	422.485	3.530	10	20	HHCD	
Cc1cc(Br)cc2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)oc12	784481037	DSUVKPCBBQTSCA-UHFFFAOYSA-N	405.200	3.955	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1-c1ccc(Cl)c(Cl)c1	785582821	DHVHVZNVERWVJQ-UHFFFAOYSA-N	419.268	3.813	10	20	HHCD	
CCCc1csc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1	789484588	DAIOXDVOMRYILF-UHFFFAOYSA-N	400.548	3.587	10	20	HHCD	
O=C1CNC(=O)N1c1cc(NCc2ccc(OCc3ccccc3)cc2O)ccc1F	793360206	SJUUOVOHTAICRU-UHFFFAOYSA-N	421.428	3.779	10	20	HHCD	
C[C@@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1O	798000054	XHEWSKQCWHUGDR-OAHLLOKOSA-N	402.491	3.656	10	20	HHCD	
CCCN1CCC(NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1	798270524	PMALKEHTDQBIMN-NRFANRHFSA-N	404.599	3.782	10	20	HHCD	
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	799238593	CGEQBHWFEVUWAG-KKSFZXQISA-N	410.518	3.553	10	20	HHCD	
CCCNC(=O)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1	800724946	JYGCDVYHJKUQMN-UHFFFAOYSA-N	420.561	3.632	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O	800895624	RLQALLDLKFLUJQ-UHFFFAOYSA-N	406.935	3.746	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(Cc3ccccn3)ccc2C)c1	802554233	STQPSEMJEPRDFR-INIZCTEOSA-N	419.481	3.511	10	20	HHCD	
CCOC(=O)N1CCC([C@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	805314984	QVYZIFWLNSBDJU-NSHDSACASA-N	418.321	3.755	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3C)SC2=S)cn1	806549719	VYHVPRYWLXWHNA-OQLLNIDSSA-N	402.497	3.822	10	20	HHCD	
COc1ccccc1O[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1	806958976	OLRITQOSDDNLRX-HNNXBMFYSA-N	407.561	3.887	10	20	HHCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CCO1	808070671	UQFDCUJERAFHSB-UNMCSNQZSA-N	417.594	3.591	10	20	HHCD	
C[C@H]1CCCN(c2cc(C(=O)NCc3cccc(Br)c3O)ccn2)C1	812558070	SXBTYUVBJCVCHS-ZDUSSCGKSA-N	404.308	3.716	10	20	HHCD	
C[C@H](NCc1cccc(N2CCOCC2)c1)c1cc(Br)cc(F)c1O	815637619	BRYGILQTFLJKGB-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(CS(C)(=O)=O)CC2)c(C)n1-c1ccc(Cl)cc1	817039709	LHITYCCPGZHQBE-UHFFFAOYSA-N	422.978	3.573	10	20	HHCD	
C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	914490655	AZKHDCGQHNXWET-STQMWFEESA-N	406.438	3.925	10	20	HHCD	
O=C(N[C@@H](CN1CCCC1)c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916468609	CBXGNZRMIDMIAH-GOTSBHOMSA-N	423.557	3.920	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cl)c4cccnc34)cc2)C1	917833970	FHGFUTQEAZLABF-MRXNPFEDSA-N	422.916	3.520	10	20	HHCD	
CCCOc1cc(C)ccc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	918037831	ZZWZRLYHNZAPKV-LJQANCHMSA-N	424.545	3.807	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccccc2CN2CCCC2=O)cc1	918206633	IZYYSBMRMYYJCR-UHFFFAOYSA-N	408.546	3.655	10	20	HHCD	
COC(=O)c1cc2cc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccc2o1	920872842	XZMCVHPYRCZYTR-HNNXBMFYSA-N	423.469	3.939	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(Nc4ccccc4)CC3)CC2)cc1	1115959572	VBMYGKVXEMTQCO-UHFFFAOYSA-N	408.546	3.950	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2nnc(C(F)F)n2c1	1116311255	RMHRWYMNLYGPTP-UHFFFAOYSA-N	418.359	3.695	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)c(C)s3)n2)cc1	1319782938	ZGRHVJGEADMTMF-UHFFFAOYSA-N	421.569	3.925	10	20	HHCD	
CC(C)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821293013	GZWBTWZVSPRHGG-CYBMUJFWSA-N	424.860	3.528	10	20	HHCD	
COC(=O)c1ccc(COc2ccc(/C=C3/SC(=S)NC3=O)cc2OC)cc1	3570213	WNEUMAGPWZQUBT-LICLKQGHSA-N	415.492	3.550	10	20	HHCD	
CCc1ccccc1-n1cnnc1SCC(=O)N(C)Cc1ccc(N(C)C)cc1	28495512	YUHHGKFERHGYMG-UHFFFAOYSA-N	409.559	3.646	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1F	50356724	AAFDLQZOMQSMFE-UHFFFAOYSA-N	404.507	3.538	10	20	HHCD	
COc1ccc(SCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	145590704	GBTFQJJNHXMYGT-KRWDZBQOSA-N	400.544	3.891	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1	482616052	FPNHXTVIHGBRRX-UHFFFAOYSA-N	420.513	3.873	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ncc(C)s4)CC3)ccc21	522866329	VSOHYXUZNPMNOQ-UHFFFAOYSA-N	412.559	3.632	10	20	HHCD	
COc1cc(Br)cc(CNCc2ccc(C(=O)N3CCCC3)cc2)c1O	725847770	IBZBANQVCQFUAN-UHFFFAOYSA-N	419.319	3.689	10	20	HHCD	
CC(C)COC(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	726140979	IYOWLMHOSUMSFO-UHFFFAOYSA-N	401.551	3.748	10	20	HHCD	
COc1ccc(N2CCCN(C(=S)Nc3cc(OC)ccc3OC)CC2)cc1	726471023	CWNVRHUCGHPZHV-UHFFFAOYSA-N	401.532	3.622	10	20	HHCD	
COc1ccc(CNC(=S)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726493066	ALDMXCJCGZANCF-UHFFFAOYSA-N	421.513	3.930	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)c(C)n1-c1ccccn1	728556381	SXXSESIJVAEXQF-JOCHJYFZSA-N	402.542	3.784	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCCN1C(=O)c1ccccc1	729346266	NLSKMKISAJLWDL-QHCPKHFHSA-N	405.542	3.988	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC(C(=O)N(C)C(C)C)CC3)cc2)CC1	731120894	GUYFIFVWNRZFRF-UHFFFAOYSA-N	414.594	3.711	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1	734702116	VCUKWMBRBVQQDV-GOSISDBHSA-N	422.573	3.548	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNC(=S)NC(C1CC1)C1CC1	734756254	KVTBGUZGINXCTE-UHFFFAOYSA-N	413.509	3.695	10	20	HHCD	
CN(CC(=O)NCCc1c(F)cccc1F)Cc1ccc(N2CCCCC2)cc1	738299840	RBOIUUYYQMQCLB-UHFFFAOYSA-N	401.501	3.746	10	20	HHCD	
CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1	740906582	GKGGKOBFDBDUIE-UHFFFAOYSA-N	407.518	3.592	10	20	HHCD	
CCN(CC)C(=O)COc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1	741058309	CAJPTCQHHSPFQY-UHFFFAOYSA-N	422.529	3.632	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1	743808340	WCQRRMRQVUWWDW-UHFFFAOYSA-N	423.263	3.663	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3c(F)cc(F)cc3F)cc2)CC1	743904997	GZVSNCRXDWMLKS-UHFFFAOYSA-N	405.420	3.595	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1O	745300395	XYYXOCUYWKPHSP-SFHVURJKSA-N	403.910	3.691	10	20	HHCD	
COc1cccc(CNC(=O)NCC(C)(C)c2ccccc2Br)c1O	746340476	ZPSXOEZPBVPCOL-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
C[C@@H]1CCCN(Cc2csc(NC(=O)NCc3ccc(N(C)C)c(F)c3)n2)C1	746708238	NEZVBKKFZZIXQP-CQSZACIVSA-N	405.543	3.902	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1	746836695	XBXLQBCOOMUCIW-JOCHJYFZSA-N	407.558	3.646	10	20	HHCD	
CC(=O)c1cc(F)cc(CN(C)CC(=O)Nc2ccc(Br)cc2C)c1O	748045892	AFINXSYHDNJGBI-UHFFFAOYSA-N	423.282	3.875	10	20	HHCD	
CCN1CC[C@H](N(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C[C@@H]1C	748967816	JYKUAGFXIAVNPN-LPHOPBHVSA-N	424.536	3.771	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1O	750038111	VLZIXLSKNKZRTD-OAHLLOKOSA-N	402.926	3.946	10	20	HHCD	
C[C@@H](NC(=O)N1CCc2c(F)ccc(F)c2C1)c1ccc(N2CCOCC2)cc1	752359671	GJYBCNIMNTVMNA-OAHLLOKOSA-N	401.457	3.630	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCOC2)cc1	752847747	YWFUCYYXCNXKBS-LJQANCHMSA-N	408.550	3.792	10	20	HHCD	
COc1cc(C)cc(CN2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1O	754726750	TYZRRWNRIIUUOK-GOSISDBHSA-N	422.529	3.946	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(Br)n1	755563630	IYPVMVPMVUHYLK-UHFFFAOYSA-N	406.349	3.636	10	20	HHCD	
COC(=O)C1CCC(NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1	756054045	PYMJTUYKLXEWFH-AFMYVXGZSA-N	419.566	3.640	10	20	HHCD	
COCCN(C)CCOc1cccc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)c1	756539045	HDPGCGOPCWNNNF-OXQOHEQNSA-N	402.510	3.826	10	20	HHCD	
Cc1c(CN[C@H](C)c2cc(Br)cc(Br)c2O)cnn1C	756774363	CAXPVDUFPRBUOF-MRVPVSSYSA-N	403.118	3.810	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1	758284695	YCVRDBBONHHKOW-UHFFFAOYSA-N	424.438	3.668	10	20	HHCD	
Cc1ccc(-n2cc(/C=C3/SC(N4CCOCC4)=NC3=O)c(C(C)(C)C)n2)cc1	759122113	WJTPOOBPXGKNBC-QGOAFFKASA-N	410.543	3.781	10	20	HHCD	
O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1CCCSc1nccs1	761300706	REHZYYPSWCXTPH-GFCCVEGCSA-N	412.334	3.681	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1F	764780301	PUQJGTNWHHXCID-UHFFFAOYSA-N	402.381	3.812	10	20	HHCD	
Cc1ccc([C@H](CNC(=O)NCc2cccc(Br)c2O)N(C)C)cc1	764782107	ZNXZHEGXPBWVNI-KRWDZBQOSA-N	406.324	3.565	10	20	HHCD	
CC(=O)N1CCCc2cc(NC(=O)NCc3cccc(Br)c3O)ccc21	765279256	ZMZHDSQXDWFOOU-UHFFFAOYSA-N	418.291	3.776	10	20	HHCD	
OCC1CCN(c2ccc(CNC3CCN(CCc4ccccc4)CC3)cc2)CC1	765288648	ZOFCTGKOPLXWPZ-UHFFFAOYSA-N	407.602	3.692	10	20	HHCD	
CCSc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2O)c1	765904214	PXAQVGXZWIZZTO-UHFFFAOYSA-N	409.305	3.522	10	20	HHCD	
COc1ccccc1S(=O)(=O)CCCN1CCCc2cc(OC(F)F)ccc21	766811358	ZSSFWOVKUIBXLY-UHFFFAOYSA-N	411.470	3.913	10	20	HHCD	
O=S1(=O)CCC(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CC1	767199792	OIUZKAMLKRULFI-GOSISDBHSA-N	406.573	3.646	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C)c2Br)cc1	769260254	KVSDQXRZRWWHDS-UHFFFAOYSA-N	418.335	3.859	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](CO)Cc2cnn(C)c2)c(C)n1-c1ccc(C(C)C)cc1	773443161	WYQOXNMFMVDOPB-HXUWFJFHSA-N	408.546	3.532	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@]1(C)CCCc2ccccc21	774767144	YDEXQDGILGLOET-VWLOTQADSA-N	407.558	3.959	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1cccc(Cl)c1	775132890	ZFKSLRUGIMCOTL-UHFFFAOYSA-N	401.938	3.502	10	20	HHCD	
CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O	775364154	OVDIELWOKULASQ-CHWSQXEVSA-N	406.504	3.625	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(Cn4cncn4)CC3)c2C)cc1	778219202	BDMFSYHKSGADPE-UHFFFAOYSA-N	421.545	3.679	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	778926943	HKTUGQZQGBYZBL-LIRRHRJNSA-N	400.475	3.616	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1	779511534	QSCBXSCTMNXJTC-CLFYSBASSA-N	419.481	3.547	10	20	HHCD	
O=C1/C(=C/c2cnn(Cc3ccc(F)cc3)c2)SC(=S)N1CCc1cccnc1	780142592	HEAOTMPOBRWOBP-GRSHGNNSSA-N	424.526	3.909	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Cl)c4cccnc34)c2)CC1	781046251	AVSRSKAPCIIESU-UHFFFAOYSA-N	408.889	3.809	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCc2ccncc2)cc1	784026619	CEDLHWFTJNJDFV-UHFFFAOYSA-N	419.481	3.744	10	20	HHCD	
COCc1noc([C@@H](C)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n1	784156073	IMMKELQXDDEFOY-CQSZACIVSA-N	402.495	3.755	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1cc(F)cc(Br)c1)c1ccc(N(C)C)cc1	784352558	VPXSUCPRWLKTLZ-FZKQIMNGSA-N	411.315	3.745	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Cc3ccc(C(C)(C)C)cc3)cc2)CC1	786258692	GDXPPXAKWLLUJR-UHFFFAOYSA-N	407.558	3.512	10	20	HHCD	
O=C1C[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21	789652122	RYNDYAQSWOMSOU-IFXJQAMLSA-N	400.425	3.743	10	20	HHCD	
Cc1cc(CC(=O)N2CCO[C@]3(CCO[C@H]3C)C2)c(C)n1-c1ccc(Cl)cc1	791891291	ZPOFKCBZKZTMRA-HTAPYJJXSA-N	402.922	3.696	10	20	HHCD	
COc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1NS(C)(=O)=O	792860186	ZDPQTBLEQXWHFL-UHFFFAOYSA-N	417.453	3.764	10	20	HHCD	
O=C(NCCc1ccc(F)cc1F)C(=O)N(Cc1ccccc1O)C1CCCCC1	793825021	UWYBUESTNDLLAU-UHFFFAOYSA-N	416.468	3.691	10	20	HHCD	
Cc1cnn(C)c1S(=O)(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1	795556992	RVUVBTYTPGUUHN-UHFFFAOYSA-N	402.423	3.672	10	20	HHCD	
Cc1cc(S(=O)(=O)N(C)C)cc(NCc2cccc(Br)c2O)c1C	796401066	DYLQKDJCGBQWET-UHFFFAOYSA-N	413.337	3.634	10	20	HHCD	
CC(C)COC(=O)N1CCC(NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	796696369	SPJPERCSGQJGLH-HDICACEKSA-N	421.557	3.786	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCN1C1CCCCC1	798057354	MZYPTUWWCJQCFY-JOCHJYFZSA-N	416.635	3.836	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(O)nc(C(C)C)c1	798248743	LJNPMWFMXZADLJ-UHFFFAOYSA-N	413.518	3.913	10	20	HHCD	
Fc1cc(CN[C@H]2CCCc3cccnc32)ccc1N1CCN(c2ncccn2)CC1	798926219	IMXWNTWWXZIKNU-NRFANRHFSA-N	418.520	3.505	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C/c2c(F)ccc(Br)c2F)SC1=S	800720646	FOFDDFIXBDLQEB-POHAHGRESA-N	422.272	3.793	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3/SC(=S)N(CCc4cccnc4)C3=O)s2)cn1	800793499	RNNQPEOURCOWPH-RQZCQDPDSA-N	412.565	3.988	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1	801548043	KJFWAPDDOQHTME-LJQANCHMSA-N	403.567	3.989	10	20	HHCD	
Cc1ccccc1C1(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	804356971	SCXSZHJYYIVEHR-UHFFFAOYSA-N	419.569	3.792	10	20	HHCD	
CCSCC[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805022840	GALPLZFEISSJCZ-GOSISDBHSA-N	405.608	3.529	10	20	HHCD	
CN(CCc1cccc2ccccc12)C(=O)C(=O)NCCCSc1nccs1	806279041	CFVHXLFJTSUZRO-UHFFFAOYSA-N	413.568	3.596	10	20	HHCD	
C[C@@H](NCCCn1cc(Br)cn1)c1cc(Br)c(F)cc1O	806660266	UMTQHYAEKFJLQG-SECBINFHSA-N	421.108	3.994	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N(C)CCCOc1ccc(Cl)cc1)c1ccc(N(C)C)cc1	807677789	SPAMVFZHPHPXSW-MRXNPFEDSA-N	417.937	3.511	10	20	HHCD	
C[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(F)(F)F	809300444	LQBXFEBUXHSSEQ-FJUNDMEASA-N	408.492	3.797	10	20	HHCD	
CCCc1nc(C)c(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)o1	813591420	WSXOOYSLTMLOBC-GASCZTMLSA-N	418.513	3.688	10	20	HHCD	
CN1CCN(c2ccc([C@H]3N(Cc4ccco4)C(=O)c4ccccc4N3C)cc2)CC1	877845099	CNCYEJPITJBMOY-XMMPIXPASA-N	416.525	3.822	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1	914491590	LXPLVQNYCVSYES-IBGZPJMESA-N	421.497	3.516	10	20	HHCD	
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C	914613318	OCGAGKWIKLTQAY-INIZCTEOSA-N	423.469	3.649	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H](c1ccccc1)N1CCCC1	915878170	LFTMYDHOGOKGBR-QHCPKHFHSA-N	424.614	3.876	10	20	HHCD	
Cc1cc(CCNC(=O)Nc2ccccc2OCCC(N)=O)c(C)n1-c1ccccc1	916702021	UDZNERPGSUIXPR-UHFFFAOYSA-N	420.513	3.713	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3ncc(C(=O)N(C)C)cc3Cl)cc2F)C[C@@H](C)O1	917523545	DXZHAJMIMIPFHN-ZIAGYGMSSA-N	420.916	3.802	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3C(F)(F)F)cc2)C1	918025311	PNPCACUMZNSDLA-HNNXBMFYSA-N	420.435	3.729	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCc2ccccc2C1	918070938	FVMRQPHJCKMDCI-LJQANCHMSA-N	406.574	3.873	10	20	HHCD	
CCC[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	918118894	VWVTYRGLKJOPQG-IFMALSPDSA-N	408.546	3.729	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	918138324	KFTHUJFPFVUWNC-CHWSQXEVSA-N	421.856	3.931	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1	918565847	UDBRRQUFISOFSU-UHFFFAOYSA-N	406.530	3.668	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(C4C[C@H]5CCC[C@H](C4)C5)n3)CC2)cc1	1261162420	RBNJONOQQRISMD-ROUUACIJSA-N	424.545	3.653	10	20	HHCD	
O=C(CN1CCN(Cc2ccc(N3CCCC3)cc2)CC1)Nc1ccccc1Cl	1319684137	QCUKFZXWJJGEOP-UHFFFAOYSA-N	412.965	3.697	10	20	HHCD	
CC(C)CN(CC(=O)NCc1cccc(Br)c1O)C(=O)OC(C)(C)C	1320799652	XWQOSMYWJCYVSF-UHFFFAOYSA-N	415.328	3.664	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)C2=COCCO2)c(C)n1-c1ccc(OC(F)F)cc1	3533445	NOSQZUKFXOTLKQ-AWEZNQCLSA-N	421.396	3.698	10	20	HHCD	
C=CCOc1ccc(/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC	8028426	QFUJKFNIEJTDDP-WUXMJOGZSA-N	408.498	3.631	10	20	HHCD	
CC(=O)CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	8066219	PVEFRYDTJUSXGH-UHFFFAOYSA-N	406.276	3.952	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1	38588978	YLTAXRCRRXJJRW-UHFFFAOYSA-N	422.451	3.658	10	20	HHCD	
C[C@@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc(N2CCOCC2)cc1	109180723	RLENQRRDAJSIOJ-CRAIPNDOSA-N	400.906	3.605	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc4nnc(C(F)F)n4n3)C2)cc1	301734026	UHZXJHLMCOKQHZ-LLVKDONJSA-N	410.375	3.744	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)cc2)CC1	303288704	AIWKNFZSWOUULB-BGYRXZFFSA-N	416.610	3.610	10	20	HHCD	
Cc1noc(C)c1COc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1	437005973	DTJJLZWJCUXRAR-UHFFFAOYSA-N	407.470	3.976	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc2c(c1)c1ccccc1n2C	608259086	CWTJREKIKFALRH-UHFFFAOYSA-N	421.522	3.985	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)N[C@H](C)c1cc(OC)ccc1O)O[C@@H](C)C2	728942468	ULNHVEKVRCFZKP-UONOGXRCSA-N	400.475	3.683	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccccc2OC(F)F)cc1F	731356881	YBFAVBVCVLARLF-UHFFFAOYSA-N	402.438	3.752	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cccc(CN4CCOCC4)c3)cc2)CC1	732094395	VLSSATBSHBPJQM-UHFFFAOYSA-N	407.558	3.685	10	20	HHCD	
C[C@H](N[C@H](C)C(=O)Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1	732918650	KAAPLKQHPXLIGE-JKSUJKDBSA-N	410.543	3.811	10	20	HHCD	
CCCNC(=O)c1ccc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nc1	732921347	UOEMJPQJLDRWNW-HZPDHXFCSA-N	400.498	3.586	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)NC(C)(C)C)c3)CC2)cc1	740813677	PZSWSMMQGSUEQG-UHFFFAOYSA-N	424.545	3.886	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1C[C@H]1c1c(F)cccc1Cl	740908912	DJHORKZDOKPYMV-APWZRJJASA-N	403.885	3.671	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1	741212512	SBFGHLKDIKEOCK-DEOSSOPVSA-N	407.558	3.536	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1F	741214964	UFMLCXSMQJNNNF-LJQANCHMSA-N	420.573	3.756	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742805079	FZTAYCHBBITEQE-KRWDZBQOSA-N	403.429	3.645	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(c3ncnc4ccsc34)CC2)cc1	743552655	QGBDPXDTSWCUOZ-UHFFFAOYSA-N	424.574	3.569	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	743808657	BFERTKBFAPTWPN-OAHLLOKOSA-N	423.351	3.684	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@@H](O)COCc1cccs1	743873214	KHGGLJFOLACDNX-OAHLLOKOSA-N	400.338	3.616	10	20	HHCD	
CSc1nc(-c2ccco2)nc(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1	747212503	DJQXPSQQMAMTLM-UHFFFAOYSA-N	424.526	3.534	10	20	HHCD	
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	748626578	DIAWNUALOYTEHR-HSZRJFAPSA-N	411.546	3.738	10	20	HHCD	
Cc1nc(O)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1-c1ccccc1	749910523	BHOWNPMVWXYYFK-UHFFFAOYSA-N	421.472	3.668	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(OC[C@@H]2CCCCO2)CC1	750279440	NIPHDBSBMAWHPL-QFIPXVFZSA-N	401.551	3.547	10	20	HHCD	
O=C(CN(CC1CCC1)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1	752354681	IEEUONAMHHNINA-UHFFFAOYSA-N	411.521	3.585	10	20	HHCD	
Cc1ccc(OCc2nc(CC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cs2)cc1	753644285	KHBSKKLXSHZUKP-HNNXBMFYSA-N	412.511	3.732	10	20	HHCD	
O=C([C@@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc2O1)N1CCCCC1	759777172	PFOPPCUQCMHEQV-JQYPEGPJSA-N	411.889	3.555	10	20	HHCD	
CCS(=O)(=O)c1cc(F)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	760016427	WNENVQFMWZJXSI-UHFFFAOYSA-N	419.522	3.882	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cncnc2)c(C)n1-c1ccc(OC(F)(F)F)cc1	760802649	ZOMLGQLHOYHEOK-UHFFFAOYSA-N	419.359	3.822	10	20	HHCD	
C[C@@H](C(=O)Nc1nc2ccccc2s1)N(C)Cc1ccc(N2CCOCC2)cc1	764141041	TYCWLDNCRQDWIO-INIZCTEOSA-N	410.543	3.592	10	20	HHCD	
COC(=O)c1cccc([C@H](C(=O)OC)N(C)Cc2ccc(N3CCCCC3)cc2)c1	764141098	VQDQEXSAHLKRGQ-JOCHJYFZSA-N	410.514	3.810	10	20	HHCD	
O=C1/C(=C/c2cc(Cl)c3c(c2)OCCCO3)SC(=S)N1Cc1ccon1	764410813	BDNVPXUAHVVITD-ZSOIEALJSA-N	408.888	3.891	10	20	HHCD	
CC(C)Oc1ccc([C@H](O)CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1	766041801	MTHAMPWFFKQISN-UZUQRXQVSA-N	402.510	3.834	10	20	HHCD	
O=S(=O)(/C=C\c1ccccc1Cl)NCc1cccc(Br)c1O	766202312	ZVBIXZJDEDVLCG-HJWRWDBZSA-N	402.697	3.898	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c(C)n1-c1cccc(F)c1	766953695	OGVHYFPXYUVRLE-OFNKIYASSA-N	424.520	3.738	10	20	HHCD	
Cc1cc(F)cc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	771090198	KGLYSXRYSINKQO-UHFFFAOYSA-N	406.460	3.954	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1)C1CCCCC1	771424644	WPMGSAVDORUFIF-XXBNENTESA-N	401.551	3.593	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNCCCc3c(F)cccc3Cl)cc2)C1	775050426	INSUGKVWRTWFDK-KRWDZBQOSA-N	403.929	3.903	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2nc3ccc(Br)cc3n2C)cc1	776801418	ZHGPCFRDRIGBLP-UHFFFAOYSA-N	418.291	3.524	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1	779494093	ROLIKBSJUOTMFV-CLFYSBASSA-N	421.522	3.579	10	20	HHCD	
COc1ccccc1COC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	779607562	CUUMUHCFQBEFNQ-UHFFFAOYSA-N	414.521	3.852	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c[nH]nc1-c1ccsc1	780935845	MJTYNHQUVVPIAZ-INIZCTEOSA-N	416.934	3.892	10	20	HHCD	
OC[C@H](Cc1ccccc1)NCc1cc(Br)cc(Br)c1O	783746134	WDYWBLXBSHYKDE-AWEZNQCLSA-N	415.125	3.610	10	20	HHCD	
C[C@H](NC(=O)c1nccnc1Sc1ccccc1)c1ccc(N2CCOCC2)cc1	783933332	MATALFIGGXTOBP-KRWDZBQOSA-N	420.538	3.955	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)no1	784059195	GMUGYKABXCFUAF-UHFFFAOYSA-N	419.485	3.932	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCOc2c(F)cccc21	785565169	GBRPMWQLEWLKCA-IBGZPJMESA-N	401.507	3.702	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1	786262983	RGCUSWUZQQUPEA-UHFFFAOYSA-N	406.313	3.592	10	20	HHCD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)o1	787323473	DNCXTXIDYUZVGD-KXBFYZLASA-N	408.454	3.547	10	20	HHCD	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)o1	788933722	XDHCVGZSNWDUMT-HTAPYJJXSA-N	421.541	3.811	10	20	HHCD	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	788938220	QFOYVSOTFNOMFD-VGSWGCGISA-N	409.505	3.652	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@]2(CCN(Cc3cc(Br)ccc3O)C2)C1	793606718	XLJDOCIRHNUNON-IBGZPJMESA-N	411.340	3.988	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@H]2CCCc3nn(C)cc32)NC(=O)OC(C)(C)C)cc1	794816212	YBSZVSJADUWEDP-FPOVZHCZSA-N	413.566	3.719	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1c(Cl)ccc2c1CCO2	797666608	ZEYSLVCMZKMQMB-UHFFFAOYSA-N	401.894	3.775	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnnn2C)c(C)n1-c1ccc(Cl)c(Cl)c1	798797402	SYNIASVMHZJUFR-UHFFFAOYSA-N	407.257	3.569	10	20	HHCD	
COCCn1cc(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1	800001744	MEZWWCYZTMEECA-HNNXBMFYSA-N	405.930	3.741	10	20	HHCD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	801691598	WRDBPOXCIZGQMK-LEWJYISDSA-N	424.541	3.727	10	20	HHCD	
COc1ccc2oc([C@H](C)NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)c(C)c2c1	804758124	SZNDQTUSYHHLIZ-INIZCTEOSA-N	423.513	3.618	10	20	HHCD	
O=C(NCc1ccc(C(=O)N2CCCC2)cc1)NCc1cc(Cl)cc(Cl)c1O	804901601	JZCCFFMSEDHVRL-UHFFFAOYSA-N	422.312	3.934	10	20	HHCD	
CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C[C@H](C)S1(=O)=O	805392312	ICBAYGLKJDEUQI-KSSFIOAISA-N	408.951	3.785	10	20	HHCD	
COCCc1ccnc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	806660729	LMAFKXWPIJMTLE-INIZCTEOSA-N	420.460	3.662	10	20	HHCD	
C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc([S@](C)=O)cc1	807024079	HNXWSOXNSZNVDS-JUTIIYIPSA-N	401.315	3.997	10	20	HHCD	
CSc1ccc([C@@H]2NC(SCC(=O)C(C)=O)=NC(C)=C2C(=O)OC(C)C)cc1	808010928	GNTTUXNMQLAHIO-SFHVURJKSA-N	420.556	3.526	10	20	HHCD	
Cc1cc(O)nc2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)ccc12	808281241	BILGYOGANQUXFJ-HOTGVXAUSA-N	423.488	3.932	10	20	HHCD	
COC[C@@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1cccc(Cl)c1	808373109	QETAQYXGAPEBHD-LJQANCHMSA-N	421.900	3.707	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)c(OC)cc1Cl	808920093	VAQHKZSTXDEVOU-UHFFFAOYSA-N	403.910	3.710	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(C4CCC4)c3)CC2)cc1	812964492	OETGHMQMSGEYOW-UHFFFAOYSA-N	407.514	3.686	10	20	HHCD	
COc1ccccc1C1=N/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)O1	912758729	YTBKZTFOIVQAEX-LGMDPLHJSA-N	407.426	3.938	10	20	HHCD	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CN4CCCNC4=O)n3)c2C)cc1	915259634	HGGMNGHAIVZHIW-UHFFFAOYSA-N	423.542	3.880	10	20	HHCD	
Cc1cnn(-c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc2)c1	917710040	ADOPDXKHRNHAES-HDICACEKSA-N	422.504	3.863	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccccc3C(F)(F)F)cc2)C1	918025312	PNPCACUMZNSDLA-OAHLLOKOSA-N	420.435	3.729	10	20	HHCD	
CCOc1ccc(N2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)cc1	1254654051	IQKLYXSSTNBGBN-UHFFFAOYSA-N	421.295	3.786	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCNS(=O)(=O)c1ccc(F)cc1Cl	1339983878	WLWVOSFWCOHABU-SWLSCSKDSA-N	412.914	3.610	10	20	HHCD	
COc1ccc(-c2csc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1OC	40945649	FXPDHOQIEJEBTR-UHFFFAOYSA-N	421.456	3.536	10	20	HHCD	
C[C@H](NC(=O)c1ccnc(OCc2ccccc2)c1)c1ccc(N2CCOCC2)cc1	109190590	VXCQRRKBCSHLTC-IBGZPJMESA-N	417.509	3.988	10	20	HHCD	
Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n(Cc2ccccc2)n1	141743888	VHRPWDXXTREESW-IBGZPJMESA-N	419.529	3.959	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(OC[C@H]4CCOC4)CC3)ccc21	543328974	RGBILJBFUWNRHG-IBGZPJMESA-N	414.546	3.562	10	20	HHCD	
CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N(C)Cc2ccccc2O)CC1	726280908	ZMPRMKSIGLNUPA-QGZVFWFLSA-N	414.525	3.576	10	20	HHCD	
C[C@@H](NC(=S)Nc1ccc2c(c1)OCCCO2)c1ccc(N2CCOCC2)cc1	727279399	OPYSOMKTFSAZRF-MRXNPFEDSA-N	413.543	3.732	10	20	HHCD	
CCOC(=O)c1c(NC(=O)c2ccc(C(N)=O)cn2)sc(C)c1-c1ccc(C)cc1	728162344	VZXQWCDZNLMKND-UHFFFAOYSA-N	423.494	3.955	10	20	HHCD	
CNC(=O)c1cc(OC)ccc1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	728476693	VPXOGTZRVOYRKH-UHFFFAOYSA-N	409.486	3.525	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)ccc21	728637910	ULHPHRGICZQQPY-UHFFFAOYSA-N	423.465	3.715	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NCc3ccccc3C)ccc21	728638213	ZDTWUGZYBCRTHF-UHFFFAOYSA-N	408.498	3.686	10	20	HHCD	
CCOC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1	728839162	FPQZGYRCPNPZEH-MRXNPFEDSA-N	415.456	3.512	10	20	HHCD	
CN(CC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1)C(=O)OC(C)(C)C	728940759	HBNRUFCORDEOJU-UHFFFAOYSA-N	404.555	3.541	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1F	731345904	LIROXHIVYZBHNJ-OAQYLSRUSA-N	413.493	3.872	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccccc2S(=O)(=O)C(C)C)cc1F	731347008	HMANLJXSFMIAJP-UHFFFAOYSA-N	406.523	3.784	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cncc(O)c2)c(C)n1-c1ccc(OC(F)F)cc1	731916628	YDKZOQGHBUNMKN-UHFFFAOYSA-N	416.380	3.836	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	734471295	LTFFSSVNNRKFDM-DEOSSOPVSA-N	415.537	3.719	10	20	HHCD	
COC(=O)c1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)c(OC(F)F)c1	734652504	YTBJBEMLGKIRDY-UHFFFAOYSA-N	407.417	3.771	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(F)c1	735679998	DATJFKTZSFZVQV-UHFFFAOYSA-N	403.473	3.578	10	20	HHCD	
CN(C)C(=O)c1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccn1	741069891	KLDBEPCVDDBBLO-UHFFFAOYSA-N	421.501	3.677	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1	741176905	ZWZICFJSFFSEQF-NRFANRHFSA-N	416.610	3.959	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C12CCCC2	743564402	KSUGZDABWRASHV-DZFGPLHGSA-N	401.551	3.621	10	20	HHCD	
CCOc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c([N+](=O)[O-])cc1OC	743717703	WVAVIHHBQJFLTL-UHFFFAOYSA-N	400.431	3.517	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)CC2)cc1	745350184	KDRAWGSNQLAMAQ-YKSBVNFPSA-N	422.573	3.610	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(C)n1-c1ccc(F)cc1	745975023	UNMLTOIJJPYEAU-UHFFFAOYSA-N	420.488	3.663	10	20	HHCD	
CC(C)N(CCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(C)C	746415654	SGSQKFICZRPUIW-OALUTQOASA-N	422.589	3.747	10	20	HHCD	
Cc1cc(-n2cncn2)ccc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	747449919	XRQWVTCFRQJAIA-UHFFFAOYSA-N	417.435	3.846	10	20	HHCD	
CCOC(=O)c1sc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nc1C	750669435	ADCXKOSSIZXWEZ-UHFFFAOYSA-N	418.563	3.814	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NCCC1=CCCCC1	751930305	HIIKICNTBHMOPI-HNNXBMFYSA-N	413.543	3.868	10	20	HHCD	
C[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(Br)cc1O	756355008	FEBFUDRIGUFYBK-YJBOKZPZSA-N	405.336	3.706	10	20	HHCD	
CC(C)[C@H](CN[C@@H](C)c1cc(Br)cc(Cl)c1O)N1CCOCC1	756368694	RARUQXMGMHICFC-LRDDRELGSA-N	405.764	3.816	10	20	HHCD	
C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1O	756483709	VSHRBANRRUZGEN-NSHDSACASA-N	418.740	3.933	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc([N+](=O)[O-])ccc1O	756539009	GXTRNOHFRGRAGX-JSGCOSHPSA-N	406.280	3.992	10	20	HHCD	
Cc1ccc([C@H](C)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)c(O)c1	756775942	NJTVPDHRRXFMDP-INIZCTEOSA-N	406.523	3.734	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1F	758882160	RMMHYOMESIOKJG-VBKZILBWSA-N	421.875	3.520	10	20	HHCD	
C[C@@H](O)C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1	759564771	QQCHXUSXQDTPKT-NQIIRXRSSA-N	413.587	3.594	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1	760031006	BBMZGTRXRXEUIX-UHFFFAOYSA-N	402.458	3.965	10	20	HHCD	
COC(=O)c1sc2nc(/C(Cl)=C\C3=S=C(C4CCC4)N=C3)nc(O)c2c1C	760265679	YMADANAJTRISMJ-IZZDOVSWSA-N	421.931	3.992	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2cncnc2)c(C)n1-c1ccc(OC(F)F)cc1	760800192	MVKQYQYEONZOCM-CQSZACIVSA-N	415.396	3.914	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1Br	761994798	HJFKMAXXYDCXSO-UHFFFAOYSA-N	416.293	3.751	10	20	HHCD	
CCN1CCN(Cc2ccccc2CNC2CCN(c3ccc(OC)cc3)CC2)CC1	765008036	IVNKYFYCKGSOBV-UHFFFAOYSA-N	422.617	3.591	10	20	HHCD	
Cc1cc(C(=O)Nc2ccccc2CN2CCC(O)CC2)c(C)n1-c1ccccn1	765453241	SEXDHNAUVDWRIO-UHFFFAOYSA-N	404.514	3.698	10	20	HHCD	
Cc1cc(CC(=O)NS(=O)(=O)c2ccsc2)c(C)n1-c1ccc(Cl)cc1	766446750	SWYCHDMGOBHRCW-UHFFFAOYSA-N	408.932	3.857	10	20	HHCD	
Cc1cc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)nn1C	767999197	FLQJIKIAFBLCNR-GDNBJRDFSA-N	421.569	3.515	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC(C)(C)c3ccncc3)cc2F)C[C@@H](C)O1	768702566	UQCMLCJJNKPOCX-CALCHBBNSA-N	414.525	3.611	10	20	HHCD	
COC(=O)c1cccc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	769010761	VKFCHCQBGKSKTH-UHFFFAOYSA-N	408.454	3.726	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/SC(=S)N(Cc4cccs4)C3=O)cc2)CC1	771512946	ISGUBZAQOLIMIP-QGOAFFKASA-N	415.609	3.901	10	20	HHCD	
CC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nn1-c1ccccc1	772436121	SQWRXYLESFMEMD-UHFFFAOYSA-N	404.514	3.762	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	772462414	JOWOHTPKXKTMNZ-AEFFLSMTSA-N	404.555	3.648	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](O)Cc2ccccc2Cl)cc1	772612533	RCAYEJGDNUBTSK-RBBKRZOGSA-N	416.949	3.517	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(SC)cc2OC)cc1	772955761	XFKXGBOJZBVLTB-UHFFFAOYSA-N	401.532	3.518	10	20	HHCD	
CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	772996833	SQYJESBICZMBPG-IIBYNOLFSA-N	414.525	3.737	10	20	HHCD	
CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	773303118	SDJRIIPOWWXKKZ-LJQANCHMSA-N	405.516	3.549	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1	775371770	ROIKGMZSUDHLBM-ACJLOTCBSA-N	406.429	3.848	10	20	HHCD	
C[C@H](NCCS(=O)(=O)c1cccc(Br)c1)c1ccc(N(C)C)cc1	775829588	ZVRIREREIIFRPW-AWEZNQCLSA-N	411.365	3.640	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CN[C@@H](C)c2cc(Br)cc(C)c2O)c1	779024560	NGPUXMQXLJPTSZ-SGTLLEGYSA-N	410.308	3.865	10	20	HHCD	
CO[C@@H]1Cc2ccc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)cc2C1	784057976	ITHWKAVAMZOBRI-JOCHJYFZSA-N	407.514	3.687	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCCSC(C)(C)C)cc1	788375446	AWTILZNHCPOCGY-UHFFFAOYSA-N	417.575	3.522	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCc2cccnc21	788913272	WTAXETZGEDDOPB-JOCHJYFZSA-N	420.557	3.614	10	20	HHCD	
COc1ccc2nc(CNCc3ccc(N4CCC(O)CC4)c(F)c3)sc2c1	788969301	WBQBGKQTQHQPIV-UHFFFAOYSA-N	401.507	3.695	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1	788979490	WYDKFRFHOOYRIK-UHFFFAOYSA-N	421.463	3.826	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1	789371440	ZVPVMQNWPYKTBO-XYJFISCASA-N	412.559	3.710	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl	792353748	XEIXGJPTFOLUMP-UHFFFAOYSA-N	410.857	3.716	10	20	HHCD	
COc1ccc2c(c1NC(=O)NCc1ccc(N3CCC(CO)CC3)cc1)CCC2	792452297	IINAEJYKCMMSQD-UHFFFAOYSA-N	409.530	3.714	10	20	HHCD	
C[C@H](Cc1ccsc1)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	793790359	LEHNLQTXMUVDHP-QGZVFWFLSA-N	413.587	3.881	10	20	HHCD	
O=S(=O)(Cc1ccc(Cl)c(F)c1)NCc1ccc(N2CCSCC2)cc1	795075193	XOUWCOVHBMZELZ-UHFFFAOYSA-N	414.955	3.652	10	20	HHCD	
CC(C)C(=O)NCCCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799962044	MJGDKOLFCCKPLL-INIZCTEOSA-N	408.974	3.538	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1	801548399	VDBOWMPHABMMHC-FQEVSTJZSA-N	410.514	3.578	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCCC[C@@H]2CCCCO2)cc1)C1CCCCC1	803677167	HKJUJLPMTFTIQI-QFIPXVFZSA-N	415.578	3.537	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCC1(c2ccc(Cl)cc2)CCC1	804344917	GUXKJJJYWCLJPH-UHFFFAOYSA-N	423.944	3.571	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2oc(O)nc2c1	805186582	MPPLQADCPIWPPJ-CYBMUJFWSA-N	403.385	3.534	10	20	HHCD	
CC[C@@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1cccc(Cl)c1O	806131540	LJSYJGHIRCQZQK-HXUWFJFHSA-N	402.922	3.986	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)C2CC2)cc1	806745070	MHTPQJAKVSYRIW-UHFFFAOYSA-N	424.476	3.742	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)cc1	809579924	IJFFXQKPVRSFKG-VABKMULXSA-N	422.525	3.565	10	20	HHCD	
COc1cc(Br)cc(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)c1O	814171977	ZNWVCZHHASZWKP-UHFFFAOYSA-N	423.282	3.566	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c(C)c1	917722764	NQVWOMJYGPUCQM-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	917844939	KNBOTKCXMWWXRE-UHFFFAOYSA-N	420.428	3.736	10	20	HHCD	
CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c1	917845325	VARZZZPYCFQNPF-UHFFFAOYSA-N	421.931	3.966	10	20	HHCD	
CCCc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c12	919766005	WBDXMUUPOLUPII-UHFFFAOYSA-N	420.513	3.819	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(OC)c3OC(F)F)CC2)cc1	1322870387	VFGYEUGRZOXRKF-UHFFFAOYSA-N	406.429	3.658	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)NC[C@@H]2CCCO2)c1	1322881769	ANTHMOFGORSBHA-RDJZCZTQSA-N	404.894	3.588	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccccn3)C2)cc1	1842387350	CNCQGENPIPYFPO-UHFFFAOYSA-N	414.509	3.620	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cscn3)C2)cc1	1842471101	YDAOSUAPNSGJQY-UHFFFAOYSA-N	420.538	3.681	10	20	HHCD	
C[C@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccc(N2CCOCC2)cc1	140405504	HPTOKRDSBFRPBG-KRWDZBQOSA-N	400.486	3.825	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H](c3ccn[nH]3)C2)c(C)n1-c1ccc2c(c1)OCCO2	303218777	REKKFNYKBSKVPN-GOSISDBHSA-N	420.513	3.651	10	20	HHCD	
CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	471436482	NMHRLWZAWCKLEJ-RTWAWAEBSA-N	413.562	3.766	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C(=O)OC)c3ccccc3F)ccc21	610692533	DEQIRLOVMLKQNP-NRFANRHFSA-N	412.461	3.688	10	20	HHCD	
COc1cc([C@@H](C)NCc2cc3c(cc2O)OCO3)ccc1OCc1ccncc1	725845552	DPBNRMURJDIACE-OAHLLOKOSA-N	408.454	3.954	10	20	HHCD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c(O)c1O	727003666	CAXNPYXFVPODQZ-INIZCTEOSA-N	405.450	3.857	10	20	HHCD	
COC(=O)Nc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1F	727593756	DKLKABJKHPISGL-INIZCTEOSA-N	417.437	3.923	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1c[nH]c2ccc(Br)cc12	728207837	UXLNYVFBFUGYAX-UHFFFAOYSA-N	414.303	3.697	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1	728520515	MNNNRYCNRVZLRY-UHFFFAOYSA-N	413.481	3.939	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)N1CCN(Cc2cccs2)CC1	733613372	PWPZIMSOBGDBBJ-UHFFFAOYSA-N	413.587	3.543	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1	734406161	PHESXIGJBUCPQJ-FMIVXFBMSA-N	405.542	3.629	10	20	HHCD	
COc1c(Cl)cc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl	741097002	IIBIQSIJJNZTPK-UHFFFAOYSA-N	420.296	3.633	10	20	HHCD	
CCO[C@H]1C[C@@H](O)C12CCN(CC(=O)c1cc(C)n(-c3cccc(F)c3)c1C)CC2	741251103	IYGWFDODQZRPSN-PKTZIBPZSA-N	414.521	3.668	10	20	HHCD	
O=S(=O)(Cc1cccc(F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742334881	VABQRSCLCDIZLC-INIZCTEOSA-N	414.449	3.516	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(-n2nccn2)cc1	743100264	BMRXKIGKLLVBCI-UHFFFAOYSA-N	416.279	3.789	10	20	HHCD	
Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1	743554372	CFRJTQIUFOYION-QFIPXVFZSA-N	411.571	3.831	10	20	HHCD	
COc1cc(F)c([C@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)cc1OC	743611867	QVSUUIRBFWXUEY-ZDUSSCGKSA-N	402.466	3.988	10	20	HHCD	
Cc1cc(C)c(N2C[C@H](C(=O)NCc3c(O)ccc4c3CCCC4)CC2=O)c(C)c1	743719304	XKZCCNBOSKYRNB-LJQANCHMSA-N	406.526	3.866	10	20	HHCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	744011127	UWIYRWSMKFAHOO-JSGCOSHPSA-N	420.351	3.890	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3c[nH]c4c(C)cccc34)CC2)cc1	745796408	QNWYSEOOWAQOKK-UHFFFAOYSA-N	406.530	3.996	10	20	HHCD	
CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(OC)cc1	746109202	MKANAQNBBKKEIV-UHFFFAOYSA-N	419.407	3.760	10	20	HHCD	
Fc1ccc(/C=C\CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1	747915093	TZXMHYQLIOEURH-IWQZZHSRSA-N	421.495	3.884	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCc2ccc(N3CCCCC3)cc2)C1	748298070	RVUJBCBNBYTJGY-QFIPXVFZSA-N	405.514	3.642	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1Cc1ccccc1	751084705	HIGCTEHWWCEJMT-CVDCTZTESA-N	406.574	3.921	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CC(Cc4ccccc4)C3)cc2F)C[C@@H](C)O1	752896718	WYNCZQGUGAEMTM-HDICACEKSA-N	411.521	3.823	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](O)c1c(F)cccc1Cl	752916814	SGVIQLYXVFXODR-RBZFPXEDSA-N	405.901	3.783	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(Br)c1	753287655	MIIIQTKJEUZNHS-UHFFFAOYSA-N	409.711	3.869	10	20	HHCD	
O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)cn1	753537870	LLBQZVMRHWOITA-UHFFFAOYSA-N	420.469	3.597	10	20	HHCD	
Cc1ccc(-n2cnc3c2CCN(C(=O)NCCCSc2nccs2)C3)cc1	753586097	AEUBTQGZJVDIMG-UHFFFAOYSA-N	413.572	3.887	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCC(Oc3ccccc3Cl)CC2)cc1	754350893	DEXNMXMPIOQJDU-UHFFFAOYSA-N	401.938	3.566	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1	756432320	QAFXMROERMUHNH-DLBZAZTESA-N	418.559	3.672	10	20	HHCD	
C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(N(C)C)cc1	758055954	KINQOERYNAZTQH-PBHICJAKSA-N	411.493	3.822	10	20	HHCD	
COCCOc1ccc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1	758635331	RCDSZJKTUXHYJK-UHFFFAOYSA-N	402.454	3.603	10	20	HHCD	
CCOC(=O)C1=C(CSc2ncc(C(C)(C)C)s2)NC(=O)N[C@H]1c1ccco1	759719779	MQAYKVYOCNBWDL-HNNXBMFYSA-N	421.544	3.997	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)cc(OC)c1OC	760123630	KQPYHFLKQLEDCG-FGTMMUONSA-N	417.550	3.513	10	20	HHCD	
O=C1N[C@@H](c2cccs2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761634706	FCIZFVCFBSTFOC-CJNGLKHVSA-N	407.442	3.611	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)c2C)c1	765356307	ZEDDZYKPPHVNEB-NLFFAJNJSA-N	422.617	3.809	10	20	HHCD	
C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1	765359743	RGYZRYKCDDLQBX-LJQANCHMSA-N	411.569	3.814	10	20	HHCD	
O=C1/C(=C\c2cncc(Br)c2)SC(=S)N1CCc1ccccn1	767359556	GZDHYXKSUWHHQZ-RIYZIHGNSA-N	406.330	3.683	10	20	HHCD	
CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2cc(OC)c(OC)cc2O)CC1	768464796	ANQIXGDPIQLODJ-LJQANCHMSA-N	406.473	3.957	10	20	HHCD	
Cc1cc(Br)cc(CN2CCN(c3nccc(C(C)C)n3)CC2)c1O	768534578	QGJOMEMWEPYRSW-UHFFFAOYSA-N	405.340	3.699	10	20	HHCD	
COc1ccc(/C=C\C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1O	773195484	TZUNTZVHTJKNAU-YLBKJFSISA-N	418.440	3.801	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccccc2CN2C[C@H](C)O[C@H](C)C2)c1O	774927262	DLWNAHGBSOMKEF-GASCZTMLSA-N	401.463	3.530	10	20	HHCD	
C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cc(Br)cc(Br)c1O	777219348	KBGDHSRGFXKVGW-VIFPVBQESA-N	422.161	3.652	10	20	HHCD	
CCC[C@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1	778222655	AFPNUJAFZNIWRK-NSFRLNINSA-N	421.541	3.558	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cnc4ncc(Br)cc4c3)ccc21	780519103	UOYDVXDMRTWQNW-UHFFFAOYSA-N	411.303	3.705	10	20	HHCD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)s1	782576780	IJNMCNCBACQLJX-UHFFFAOYSA-N	408.527	3.748	10	20	HHCD	
COc1ccc2[nH]c3c(c2c1)C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)CC3	782757960	LVRDSQLIFPNNDR-KRWDZBQOSA-N	423.532	3.924	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)C2CC2)cc1	783404215	KVWULRAFVIACSB-UHFFFAOYSA-N	411.506	3.694	10	20	HHCD	
Fc1cc(CNC[C@@H]2CCc3ccccc32)ccc1N1CCN(c2ncccn2)CC1	790049978	RWNKESQKGOZEPH-NRFANRHFSA-N	417.532	3.762	10	20	HHCD	
CSC1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	790077334	CZPLHSZYBXHZJR-JLHYYAGUSA-N	412.627	3.741	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(CCO)Cc3cccnc3Cl)cc2)CC1	792997317	KHZSKTNYMIOBOJ-UHFFFAOYSA-N	416.953	3.675	10	20	HHCD	
CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1	795552380	YUYZMJFAZURWQA-UHFFFAOYSA-N	424.525	3.858	10	20	HHCD	
CC[C@H](C)NS(=O)(=O)c1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c1	796427813	BGTQYGQFOATOID-NSHDSACASA-N	413.883	3.643	10	20	HHCD	
CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1	804312255	AUGOSSOLGJXHDI-ZMOVQZPESA-N	424.497	3.762	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)[C@H]1CCC(=O)N1C	806503010	WLHBEMVLDGFXFC-PKOBYXMFSA-N	419.447	3.919	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)ccc21	806634174	FZVKQIIYPIXJLZ-IBGZPJMESA-N	407.436	3.621	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H]1[C@H]1CCCO1	806683990	FAGHDLMSZVUIFO-RBUKOAKNSA-N	409.477	3.610	10	20	HHCD	
COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1Cl	808110826	ARCYZJQZDZHJLG-UHFFFAOYSA-N	422.286	3.534	10	20	HHCD	
CCS[C@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	809236053	WKQVCJJEKJULHD-ICSRJNTNSA-N	405.608	3.670	10	20	HHCD	
CCS[C@@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	809236055	WKQVCJJEKJULHD-UYAOXDASSA-N	405.608	3.670	10	20	HHCD	
CCS[C@H]1CCC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	809237347	VAMLSDPNLODFIZ-CTNGQTDRSA-N	417.619	3.816	10	20	HHCD	
CCCS(=O)(=O)N1CCC(N[C@@H](CC)c2ccc(C(F)(F)F)cc2O)CC1	810209225	OPCXRBQHAYPJPW-INIZCTEOSA-N	408.486	3.656	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnc3[nH]c(O)nc3c2)cc1	813448631	PSDGEQHXTCPVIH-UHFFFAOYSA-N	417.469	3.585	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O	813685667	NWMINHPRISVGDQ-QGZVFWFLSA-N	424.328	3.839	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C\c3cc(OC)c4c(c3)OCO4)SC2=S)c1	814276659	DRQZNVRGPNPTNQ-LZYBPNLTSA-N	401.465	3.838	10	20	HHCD	
Cc1ccc(F)c(OCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	857472754	NTJBGKBOEWZFDK-KRWDZBQOSA-N	406.885	3.653	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1	863994553	DEBYSGAOKQGUNE-UHFFFAOYSA-N	415.481	3.986	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CNC(=O)Cc2cccc3ccccc23)C2CC2)cc1	914440238	UPOUWNXWWJYCNR-UHFFFAOYSA-N	415.537	3.756	10	20	HHCD	
COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	914907620	UEWUBVYISVLFBQ-MRXNPFEDSA-N	407.470	3.532	10	20	HHCD	
CCC(CC)N1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1=O	918710276	WHUJBONYJFWSLA-LJQANCHMSA-N	411.546	3.912	10	20	HHCD	
CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)s1	918740446	JUYRVOJUSKUNBC-LLVKDONJSA-N	407.542	3.870	10	20	HHCD	
COc1ccc(C2(CNC(=O)NCc3ccc(N4CCCC4)cc3)CCOCC2)cc1	919925295	RPEMZQSHQNOISG-UHFFFAOYSA-N	423.557	3.843	10	20	HHCD	
Cc1cc(C(=O)OCc2nc(O)c3cnn(C)c3n2)c(C)n1-c1cccc(C(C)C)c1	920524637	VSJWLJCYJJJCLN-UHFFFAOYSA-N	419.485	3.957	10	20	HHCD	
CCN(C[C@H]1CCOC1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	920749959	VTOKZZOKRQPBGB-DSQDWWTGSA-N	424.613	3.615	10	20	HHCD	
COc1ccc(Cl)cc1CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	1116046707	LKJJKWWWBDQWFG-MRXNPFEDSA-N	417.937	3.788	10	20	HHCD	
CN1CCN(c2ccc(CNCCOc3ccc(Br)cc3)cc2F)CC1	1318348171	IVCXJHFOSALJHO-UHFFFAOYSA-N	422.342	3.509	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3nn(-c4ccccc4)c4c3CCC4)CC2)cc1	1319625129	ANOOZERANVZRAY-UHFFFAOYSA-N	416.525	3.722	10	20	HHCD	
COc1cccc(N2CCC(N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)CC2)c1	1322634335	SGWUZICBZIREEP-GOSISDBHSA-N	413.537	3.991	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1CCCN(c2ncnc3sccc23)C1	1346941612	VEAMWMWBUZUYQT-SNVBAGLBSA-N	414.878	3.736	10	20	HHCD	
CC(C)(C)c1noc(CCCC(=O)NCc2ccc(N3CCSCC3)cc2)n1	54037644	WVXZAYVGJSGQQA-UHFFFAOYSA-N	402.564	3.559	10	20	HHCD	
CCN(C)Cc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1	61865273	VQICVKMOMAEISI-UHFFFAOYSA-N	412.603	3.691	10	20	HHCD	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1	437008893	XHSPIMLXKAVGGN-UHFFFAOYSA-N	409.530	3.910	10	20	HHCD	
Cc1c(CNC(=O)NCCCC(=O)N2Cc3ccccc3C2)n(C)c2ccccc12	471849290	JUOZVUSIHGFGAI-UHFFFAOYSA-N	404.514	3.609	10	20	HHCD	
CCN(CC)CCOc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1	541092599	FNOVWFXDGBJYPR-UHFFFAOYSA-N	412.534	3.904	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)n(C)c2ccccc12	569026589	CTWAQMIBHUYLAE-GOSISDBHSA-N	418.541	3.581	10	20	HHCD	
COc1cccc2c1OC[C@@H](NC(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2	728398576	IFJXLUVRKIOLPW-FQEVSTJZSA-N	409.530	3.831	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3cnn(-c4ccccc4)n3)ccc21	728463862	CEYMDVXPLZHHAK-UHFFFAOYSA-N	417.513	3.757	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nccnc2-c2nc3ccccc3s2)c1	729536516	GWRIGRYRNKZAAN-LBPRGKRZSA-N	406.467	3.959	10	20	HHCD	
O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(N2CCCC2)cc1	732217047	NVEOXRTUDHKAQT-UHFFFAOYSA-N	414.449	3.805	10	20	HHCD	
O=C(NCCCO[C@@H]1CCCc2ccccc21)NCc1ccc(N2CCOCC2)cc1	733848122	LHJUVJVWJNAFMH-XMMPIXPASA-N	423.557	3.807	10	20	HHCD	
Cc1ccc(CCC(=O)NCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	735927044	KSXUBVVURVVBDX-UHFFFAOYSA-N	406.482	3.571	10	20	HHCD	
CCOC(=O)Cc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	738960470	OAXWQNBJPORQSE-UHFFFAOYSA-N	413.543	3.667	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1	741435415	RYMALNCHJCFZQF-LJQANCHMSA-N	404.555	3.587	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@H]1CCCN(c2ncnc3sccc23)C1	742670798	WOURDHSLOWVCFK-ZDUSSCGKSA-N	419.601	3.663	10	20	HHCD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1c(O)ccc2c1CCCC2	743076050	RHVZKUWGEQOJSD-UHFFFAOYSA-N	408.546	3.653	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)Oc1ccc(F)cc1	743555305	VKFRCGIFOOMILG-MRXNPFEDSA-N	403.523	3.646	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H](C)NC(=O)c1ccccc1	743808749	CYYWPUXIHSMJKC-CQSZACIVSA-N	419.319	3.712	10	20	HHCD	
O=C(NCCNC(=O)N(Cc1ccccc1O)C1CCCCC1)c1cccs1	745556000	BZQGFDVQKOYSGE-UHFFFAOYSA-N	401.532	3.728	10	20	HHCD	
Cc1csc([C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C2CC2)n1	745863371	JZUJYFJLQKQECS-LJQANCHMSA-N	400.548	3.581	10	20	HHCD	
CCS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	748961957	SYQKETLUVLAMBQ-PZJWPPBQSA-N	405.608	3.759	10	20	HHCD	
Cc1ccnn1-c1ccccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	753030636	SDNPIMLWTZTAQT-UHFFFAOYSA-N	419.529	3.711	10	20	HHCD	
CCOC(=O)c1ccc(N2CC(N[C@@H](C)c3ccc(N4CCCCC4)cc3)C2)nc1	753740696	GVOHVIPMIGKSDU-SFHVURJKSA-N	408.546	3.788	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(N[C@H](C)c2cc(Cl)ccc2O)CC1	756511589	PQWQMTNLQIZVGM-OAHLLOKOSA-N	402.922	3.939	10	20	HHCD	
Cc1nnc(CN[C@@H](C)c2cc(Br)cc(Br)c2O)s1	757638975	OFKOYKZYDPMEGC-LURJTMIESA-N	407.131	3.928	10	20	HHCD	
Cc1ccc(-c2cncc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c2)cc1	758090499	RLWCLGBVXPJONS-UHFFFAOYSA-N	417.509	3.938	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)c1O	758617377	LFEBNXMMNVPHNW-INIZCTEOSA-N	418.291	3.928	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](C)[S@@](=O)CC3)c2C)cc1	759865067	BZNOLAAKGYHRCQ-UULLZXFKSA-N	402.560	3.518	10	20	HHCD	
C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)NCc1ccccc1	765390120	AIKYTKDAAMTGAT-IAGOWNOFSA-N	401.938	3.532	10	20	HHCD	
COc1cccc(C)c1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	767043970	ADRHSOVTAYPTPU-UHFFFAOYSA-N	416.389	3.940	10	20	HHCD	
Cc1nc(-c2ccccc2)ncc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	767978363	YEDYSJVTKXXYRW-FQEVSTJZSA-N	403.482	3.979	10	20	HHCD	
Fc1cc(CNCc2cscc2Cl)ccc1N1CCN(c2ncccn2)CC1	771946787	JSMLPUOQPJEINB-UHFFFAOYSA-N	417.941	3.947	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C	772603647	KPSJHYSUTRWBFZ-SJLPKXTDSA-N	404.555	3.648	10	20	HHCD	
Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	773187596	SCPLBBMMOWTONQ-UHFFFAOYSA-N	404.470	3.505	10	20	HHCD	
Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1	773611655	QRHGXWBXQKQHNQ-IBGZPJMESA-N	422.573	3.860	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1COc1cccc(C=O)c1	773739829	FCGCSEWVILUYMZ-INIZCTEOSA-N	405.450	3.850	10	20	HHCD	
CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774483850	MCVUAAGPKQMYHJ-HUUCEWRRSA-N	403.548	3.977	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)c1	775373044	LLASOEXMCLMUOH-CABCVRRESA-N	406.910	3.631	10	20	HHCD	
C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1	778579191	CVNFMXGZHXHCBC-KRWDZBQOSA-N	423.561	3.878	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1	778674171	KOOZGGSGBAEUER-QGZVFWFLSA-N	414.912	3.933	10	20	HHCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cc2c(cc1Br)OCCO2	779498469	HATDJLJBROQNSN-TZNOJPMFSA-N	420.259	3.522	10	20	HHCD	
COc1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)ccc1F	782779944	FVNVOUKTHMQRBM-UHFFFAOYSA-N	420.352	3.770	10	20	HHCD	
COC(=O)c1ccsc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782896494	OWQXPBJINTYKHE-UHFFFAOYSA-N	416.499	3.540	10	20	HHCD	
COc1cc(CNC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1C	793864641	OJQCHWNYNFNSQZ-UHFFFAOYSA-N	423.557	3.705	10	20	HHCD	
CCn1ccnc1[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1	797429869	DGJCQMIUOKMMQZ-FQEVSTJZSA-N	413.591	3.893	10	20	HHCD	
COc1ccc(C2=NO[C@H](CNC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2)cc1	802359490	MDNVCDHATGFVID-QFIPXVFZSA-N	424.545	3.874	10	20	HHCD	
CC[C@@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1cccc(Cl)c1O	806137649	QHXOZKRSPDRLCA-HXUWFJFHSA-N	401.938	3.955	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)n2)c(C)o1	806878912	OYVGFBOCJUJLSK-UHFFFAOYSA-N	424.526	3.657	10	20	HHCD	
O=C(COc1ccc(N2CCCC2=O)cc1)NCc1cc(Cl)cc(Cl)c1O	807836833	QRRSDGIHMFSEDI-UHFFFAOYSA-N	409.269	3.521	10	20	HHCD	
CCc1ccc(OCc2nnc(SCC(=O)C(C)=O)n2Cc2ccccc2)cc1	808010151	MUDQCCCPKSQDQT-UHFFFAOYSA-N	409.511	3.718	10	20	HHCD	
CC(=O)C(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12	808486382	AJQRWNQKNOFOBM-UHFFFAOYSA-N	412.239	3.979	10	20	HHCD	
O=C(CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1)NC[C@H]1CCCO1	814772339	UGADDRGYGFONFK-KHAFMBKQSA-N	418.565	3.900	10	20	HHCD	
O=C(CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1)NC[C@H]1CCCO1	814772342	UGADDRGYGFONFK-WJHGTXIHSA-N	418.565	3.900	10	20	HHCD	
CCC(CC)c1nnc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1	915328228	PFZLXJFAWZLWJX-UHFFFAOYSA-N	403.552	3.942	10	20	HHCD	
Oc1ccccc1CN(C[C@H](O)COc1cccc2ccccc12)C[C@@H]1CCCO1	916633171	NRZFLFBQODARMM-VXKWHMMOSA-N	407.510	3.966	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)c3cccc(Br)c3)CC2)cc1	917017403	RDJISPHYNDQGEJ-FQEVSTJZSA-N	405.336	3.703	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	917085443	NMCIMGWTBOAGMM-UHFFFAOYSA-N	412.490	3.526	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1	918198814	PHKKYTVFPGMPLW-NRFANRHFSA-N	403.473	3.998	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCCS(=O)(=O)c2ccccc2)cc1	921199910	AFBMBBGXAMEINE-UHFFFAOYSA-N	417.575	3.538	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3[nH]c(-c4cccc(OC)c4)nc3C)CC2)cc1	1319624835	YPFIZVGXPBKGQX-UHFFFAOYSA-N	420.513	3.755	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1	1320404651	BUWARFIYLKRJIQ-OAHLLOKOSA-N	401.438	3.585	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@@H](c3ccccc3Cl)N(C)C)cc2F)CC1	1322602696	YKNZMTICEMKPAL-QFIPXVFZSA-N	404.961	3.623	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1	1322869286	NNNHWHFXQYXFNY-QHCPKHFHSA-N	410.514	3.606	10	20	HHCD	
CCOC(=O)c1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)s1	1324305311	GILHFFGAYFEBAF-UHFFFAOYSA-N	415.437	3.591	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21	1324563548	JSYBIOOXZHYATA-WDYCEAGBSA-N	411.498	3.678	10	20	HHCD	
COc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1	1330143328	WLQVPMGFXIKLFK-CQSZACIVSA-N	414.413	3.899	10	20	HHCD	
O=C(Cc1ccsc1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1788235895	JLKLLQYHYYIMOG-UHFFFAOYSA-N	423.494	3.545	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CCC2(CCCN(C(=O)C3CCCC3)C2)CC1	1808928298	PQLAVWDLBGYDAC-UHFFFAOYSA-N	420.937	3.786	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2ccc(Cl)cc2)C1	1844935248	YMDCRWRYCAWGSN-UHFFFAOYSA-N	421.280	3.535	10	20	HHCD	
C[C@@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(N2CCOCC2)cc1	109180729	RLENQRRDAJSIOJ-QAPCUYQASA-N	400.906	3.605	10	20	HHCD	
COc1cc(N2CCN(c3c(C)cc([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1OC	302838088	YEWKBPICHLJWNP-UHFFFAOYSA-N	421.881	3.909	10	20	HHCD	
Cn1cc(-c2nn(C)cc2C(=O)N2CCCCc3cc(Br)ccc32)cn1	475832303	JHHRKJKATGZVLB-UHFFFAOYSA-N	414.307	3.566	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ccnc(C(F)(F)F)c2)CC1	553224048	MBDVALLAZIMNLK-UHFFFAOYSA-N	401.388	3.923	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)cn1	728476098	JAQNYTQZGPGJGN-UKTHLTGXSA-N	407.517	3.902	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc2)CC1	731015508	VCFFQGCGSPDEFX-UHFFFAOYSA-N	422.497	3.849	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4ncccc4c3)cc2)CC1	731132221	VGUCFXYAMXADSB-UHFFFAOYSA-N	402.498	3.726	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)NC[C@H]1CCN(c2ccccc2)C1	731846311	WJUQLOVQQKYFGR-HXUWFJFHSA-N	407.558	3.780	10	20	HHCD	
CC(=O)c1cc(CN(C)CCc2ccc(Cl)cc2)c(O)c(CN2CCOCC2)c1	733298532	JOFGHSCFNOECOO-UHFFFAOYSA-N	416.949	3.755	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@](C)(O)c2ccc(F)cc2F)cc1F	734013796	SKBKXIRUNCHRAL-NRFANRHFSA-N	409.452	3.657	10	20	HHCD	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(Nc2ccccc2)c1	735652319	KGKQQBDMRJWCDP-UHFFFAOYSA-N	421.522	3.917	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1C	736324883	IZKCPMSDPNBGGR-UHFFFAOYSA-N	415.559	3.764	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H]3CCCCN3Cc3ccccc3)CC2)cc1	741144790	CFQKRRRYDHQQJO-XMMPIXPASA-N	407.558	3.835	10	20	HHCD	
CCn1c(/C(Cl)=C\c2scnc2C)nc2cc(S(=O)(=O)N(C)C)ccc21	742432218	UKTWCQOREOQHIJ-UKTHLTGXSA-N	410.952	3.808	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743612966	ZQAPSIFJRNONMA-IUODEOHRSA-N	408.449	3.922	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(OCC2CCCCC2)CC1	743854432	XANSDUGRFKQOGV-UHFFFAOYSA-N	401.595	3.772	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@H](O)COCc1ccccc1OC	743871071	OVGBMCANTFUCID-SFHVURJKSA-N	424.335	3.563	10	20	HHCD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O	744843310	GMTWSXHZNQLSPD-MHWRWJLKSA-N	419.503	3.694	10	20	HHCD	
CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc4c(c3)CCCN4C)ccc2NC1=O	745931280	IEWBNSJZNDEJHS-QVKFZJNVSA-N	422.529	3.739	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCc4c(cnn4-c4ccccc4)C3)ccc21	746982631	FMWJYWMCEJOAKP-UHFFFAOYSA-N	401.514	3.523	10	20	HHCD	
Cc1nnc(-c2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2)o1	747568889	YEZWDWVZDGYBDE-LJQANCHMSA-N	408.458	3.964	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCc3cccc(F)c3F)cc2F)C[C@H](C)O1	749794469	NMOBJZIBFVQQPK-GJZGRUSLSA-N	406.448	3.967	10	20	HHCD	
COc1cc(C)c(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc1OC	751289521	BZVHBBBXYDWGSK-PDGQHHTCSA-N	400.525	3.851	10	20	HHCD	
CCc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)OC)s2)c1	751554273	YPMQWCXEFMVHQE-UHFFFAOYSA-N	416.524	3.889	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](Oc2ccccc2Cl)C1	752157014	UHEQTFVUEXBUFH-LJQANCHMSA-N	415.921	3.540	10	20	HHCD	
CC(C)COc1cccc(OCC(=O)NCc2ccc(N3CCSCC3)cc2)c1	752814478	IAXAEDZHMIJQJJ-UHFFFAOYSA-N	414.571	3.970	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3ncc(Br)cc3Cl)cc2)C1	754976434	JYJOJAYTMGNTPZ-CYBMUJFWSA-N	423.742	3.811	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc2c1CCN2S(C)(=O)=O	756554103	MQYLOCHLVKSXDI-UHFFFAOYSA-N	415.540	3.730	10	20	HHCD	
COc1cc(N2CCN(C(=O)/C=C\c3cc(C)c(C)cc3C)CC2)cc(OC)c1OC	759241946	KDLSXAOJLDHVGX-FPLPWBNLSA-N	424.541	4.000	10	20	HHCD	
COC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccc(Cl)c(F)c1	760081022	PHSAXNXNDQVJTI-LJQANCHMSA-N	415.852	3.926	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cn1C	760602849	QSZMVOIABUYMOM-UHFFFAOYSA-N	419.528	3.743	10	20	HHCD	
CC[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CN(Cc2ccccc2)CCO1	760898347	KIBQDLCRLCMLIE-BJKOFHAPSA-N	424.589	3.574	10	20	HHCD	
CCc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1C(C)(C)C	761984001	UUTCSVCCFJORBA-QGZVFWFLSA-N	418.969	3.954	10	20	HHCD	
O=C(COc1ccccc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1	764196803	GKQSWELGCGLGBE-INIZCTEOSA-N	420.303	3.741	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(-n2cccn2)c(F)c1	765254312	VNAHEBQVVOARCK-UHFFFAOYSA-N	405.227	3.801	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)CN1Cc1ccccc1	765535124	NPUMLCOEKLFEHE-YOEHRIQHSA-N	418.335	3.617	10	20	HHCD	
CC[C@@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1ccc(N(C)C)cc1	765869194	WCPJKXCMZOCPIZ-ISKFKSNPSA-N	408.590	3.691	10	20	HHCD	
Cc1nnc(-c2ccccc2C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)o1	767930793	JVKYGLMYBLINRY-UHFFFAOYSA-N	405.502	3.828	10	20	HHCD	
COc1cc(Br)cc(CN(C)CC(=O)Nc2ccccc2Cl)c1O	768172200	NKEZMHLEBQEBCK-UHFFFAOYSA-N	413.699	3.887	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)Cc1nnnn1CC1CCOCC1	769769796	LJSDEWTUIOLBPB-SFHVURJKSA-N	407.518	3.569	10	20	HHCD	
O[C@H](C[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1	770327133	LLGILZUTVOAGRM-NFBKMPQASA-N	402.485	3.890	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(CCOCc2ccccc2)CC1	771105451	UZTMJKZMOZPOCX-UHFFFAOYSA-N	408.542	3.869	10	20	HHCD	
COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)c1ccc(OC)c(O)c1	771566855	ISSYEMUAVCOIPA-QFIPXVFZSA-N	422.481	3.761	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	772462417	JOWOHTPKXKTMNZ-WMZOPIPTSA-N	404.555	3.648	10	20	HHCD	
C[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(N(C)C)cc1	773021714	SOAAKDKHDLWFQR-ZDUSSCGKSA-N	424.282	3.613	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1N1CCCCC1	775143655	AMCBCCVZOUEIKC-QAPCUYQASA-N	401.429	3.720	10	20	HHCD	
Cc1cc(Br)cc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1O	775741841	RMIVCYGXSFFRRS-OALUTQOASA-N	406.320	3.788	10	20	HHCD	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c12	782957164	XDYNVWZTHXCDTD-UHFFFAOYSA-N	423.469	3.823	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCSc1ccc(Cl)cc1	785407794	NHYBDUODKHHDEV-UHFFFAOYSA-N	406.935	3.693	10	20	HHCD	
Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1	789012120	JUXWFOZPTZZEGA-OAHLLOKOSA-N	413.429	3.954	10	20	HHCD	
C[C@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)NC(=O)OC(C)(C)C	792250074	BROBOWJVJXOGIO-QGZVFWFLSA-N	404.555	3.732	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1c(F)ccc(C)c1Br	796830903	WVSHTZPNROYBKL-UHFFFAOYSA-N	422.298	3.526	10	20	HHCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@]2(CCOC2)O1	797385115	OFKHYSHEPGTMRW-NFBKMPQASA-N	422.485	3.837	10	20	HHCD	
Cn1cc(-c2csc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)n2)cn1	797994917	NLBBPSLNRXDJST-UHFFFAOYSA-N	407.279	3.790	10	20	HHCD	
CN(C)c1ccc(CNCCS(=O)(=O)CCc2ccccc2)c(C(F)(F)F)c1	800312290	YYGDVQFRJUMGHW-UHFFFAOYSA-N	414.493	3.519	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(C(C)C)cc1	800471236	PUPVMEOUDSGEHF-FQEVSTJZSA-N	402.560	3.519	10	20	HHCD	
CN(C)c1ccc([C@@H](CN[C@@H]2CCC23CCOCC3)NC(=O)OC(C)(C)C)cc1	800487559	HJWZHQMDZLKGTP-WOJBJXKFSA-N	403.567	3.867	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H]1CCO[C@H](C(F)(F)F)C1	806132703	YUYHRIDLLXSNAU-CJNGLKHVSA-N	412.374	3.742	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)c1cccs1	806422709	BBQBVQLQVRYRIR-UHFFFAOYSA-N	401.576	3.645	10	20	HHCD	
COC(OC)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)o1	806746684	UUXBEIDMPKZLLT-UHFFFAOYSA-N	410.417	3.571	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(-c2ccccn2)c1	807694892	LUXKAHUJZUQYMN-UHFFFAOYSA-N	403.482	3.509	10	20	HHCD	
CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)[C@H]2C1	808358019	VSKOJZRUYNWJJE-OEMFJLHTSA-N	422.573	3.583	10	20	HHCD	
CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	808358020	VSKOJZRUYNWJJE-QPTUXGOLSA-N	422.573	3.583	10	20	HHCD	
CC(C)(C)CCCS(=O)(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	809809010	OLYXVEIAJJDHJI-UHFFFAOYSA-N	422.513	3.788	10	20	HHCD	
O=C1CC(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)(c2ccccc2)C1	810449263	DKFMTNYPWGCKSZ-QGZVFWFLSA-N	414.452	3.674	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)O[C@H]3CCCN(Cc4ncccn4)C3)c2C)cc1	810737999	OEKROFWNZPRUKK-NRFANRHFSA-N	420.513	3.714	10	20	HHCD	
COc1cccc(CNC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)c1O	816610581	PWNOBDWFISQAKN-UHFFFAOYSA-N	418.921	3.650	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C(=O)O)cc1Cl	871792866	QFHJZNHKIIKKEC-UHFFFAOYSA-N	422.934	3.849	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1	914485650	XHDCROJLRAMQEZ-UHFFFAOYSA-N	420.962	3.761	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)c(C)n1-c1ccccn1	914907701	VHVLNZSSYQWXEV-QGZVFWFLSA-N	406.486	3.739	10	20	HHCD	
CCN1C[C@@H](CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)Oc2ccccc21	915287569	NLWGQNUPOCRIPE-LJQANCHMSA-N	404.514	3.849	10	20	HHCD	
CN(C)[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cccc(F)c1	915900938	LXSMUTQPKDARII-NHCUHLMSSA-N	415.509	3.525	10	20	HHCD	
CCc1cccc(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	917708693	DWUFUDIIPJBHJW-IAGOWNOFSA-N	400.494	3.697	10	20	HHCD	
CC[C@H](C)[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1	917832186	MXOWOLHUBHGTGY-AVCGJXAMSA-N	407.558	3.834	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3nnc(Cc4ccccc4)s3)CC2)cc1	918026255	DKZDZTCFQAISMX-UHFFFAOYSA-N	423.542	3.882	10	20	HHCD	
CC(C)Oc1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	918220382	CUQSURNTRDZGCD-UHFFFAOYSA-N	415.509	3.573	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1nc(-c2ccccc2F)cs1	918280431	UUTRZWNZIWSCSQ-UHFFFAOYSA-N	424.501	3.804	10	20	HHCD	
Cc1cnn(CC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)c(=O)c1	1116829485	DRPHYAQEGPIDCY-UHFFFAOYSA-N	405.376	3.741	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1327125431	XZULINCDXMHCBE-HXUWFJFHSA-N	409.530	3.536	10	20	HHCD	
Clc1ccc2nc(CN3CCN(Cc4ccc(N5CCCC5)cc4)CC3)cn2c1	1337025343	BMWGHIUBYUQTEO-UHFFFAOYSA-N	409.965	3.906	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(C(=O)N(CC)CC)cc3)CC2)cc1	1341407507	VRKRHOYYRLYTIX-UHFFFAOYSA-N	409.530	3.530	10	20	HHCD	
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1	1344378802	WAPYMWIRNQIVNP-OAHLLOKOSA-N	409.456	3.833	10	20	HHCD	
O=C(/C=C/C1CCCC1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1790515011	USMMQZAAKGTORJ-IZZDOVSWSA-N	421.497	3.987	10	20	HHCD	
Cc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)n1Cc1ccco1	7166646	KBTNYGLAFLTDGB-YBEGLDIGSA-N	404.513	3.812	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn(-c2ccccc2Cl)c1	109570075	YYCZHHKEBRIXRY-UHFFFAOYSA-N	410.905	3.635	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3cccnc3Oc3ccccc3)ccc21	138470653	GGJAIYFPJLBHSW-UHFFFAOYSA-N	416.481	3.511	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccccc2Br)n(C)c2ccccc12	472797626	ZDNNGAQFKJMAHK-UHFFFAOYSA-N	400.276	3.504	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2)cc1	726561980	BOKCASSMFUXBMO-UHFFFAOYSA-N	404.514	3.897	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(Br)ccc3F)CC2)cc1	726562114	BYOAGCCENRBNEJ-UHFFFAOYSA-N	407.283	3.996	10	20	HHCD	
COc1ccccc1CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726611803	WOQYAHRKAXRBRB-UHFFFAOYSA-N	419.472	3.807	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cc1	728754751	YOQNBIGRZHFLHK-UHFFFAOYSA-N	409.436	3.953	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1	728983394	ZIWAJSNPBHFPSO-GFCCVEGCSA-N	416.275	3.840	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC3CCN(CC(F)(F)F)CC3)cc2)CC1	731048959	JHGFUSQYGDURNF-UHFFFAOYSA-N	412.500	3.749	10	20	HHCD	
C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)c1ccc(N2CCOCC2)cc1	732243714	SIGCRGFOPVAJSJ-NHCUHLMSSA-N	422.573	3.500	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2O)n1	742390202	CKTCAWVDNDIXRK-JTQLQIEISA-N	404.810	3.863	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2c(C)n[nH]c2n1	742798984	FFLPNSWNZGZIGU-AWEZNQCLSA-N	415.444	3.575	10	20	HHCD	
COC(=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	743100001	ZCWGDUOVXVULFI-MRXNPFEDSA-N	419.428	3.865	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)Oc3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1	743632469	SFRAUAYIIKLKAW-QLFBSQMISA-N	422.447	3.801	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(C(=O)/C=C/c2ccccc2)CC1	743719180	SLGOEIWMOBEAGB-JLHYYAGUSA-N	418.537	3.839	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCc1cccc(Cl)n1)c2[N+](=O)[O-]	744474303	QAKZTPMFDLQAPE-UHFFFAOYSA-N	422.780	3.776	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(Br)c1	746046635	CLKLKLRZFYYYOM-OAHLLOKOSA-N	423.376	3.535	10	20	HHCD	
CCO[C@H](CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)C	746415626	ROEJEVYXZQZYRK-CBGDNZLLSA-N	409.546	3.690	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3c(F)cccc3OC(F)F)CC2)cc1	752020846	MGGQLMNDERPETG-UHFFFAOYSA-N	423.435	3.858	10	20	HHCD	
Cc1cc(C)c(O)c(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c1	754726776	NKHYSQVUQJOOMP-INIZCTEOSA-N	408.498	3.823	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc(C)c1Br	756095798	IOCJXXAMYWYIDC-UHFFFAOYSA-N	422.298	3.526	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1	756678941	BUPWSCIHOMXPJH-PMACEKPBSA-N	417.575	3.628	10	20	HHCD	
COc1cccc(OC)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	756919848	KRRBZKWMYDUIIQ-HXUWFJFHSA-N	412.530	3.520	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Br)o1	758989676	YHHJPCDEKGJPTQ-UHFFFAOYSA-N	413.337	3.853	10	20	HHCD	
Cc1c(Cl)cc(F)c(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1F	761974098	UAEWQESHSQKCRB-UHFFFAOYSA-N	408.832	3.766	10	20	HHCD	
Cc1ccc(C)c(-n2ccnc2SCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	763282579	ZIQKEZYBLSYCSG-INIZCTEOSA-N	411.527	3.740	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3ccc(OC)c(F)c3)CC2)cc1	764675793	KHRUZPDGIPOITD-SFHVURJKSA-N	401.526	3.706	10	20	HHCD	
CCOCCCN1CC[C@H](NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)[C@H](C)C1	765125461	FJTOUJWRDDWZDI-UGTOYMOASA-N	421.601	3.666	10	20	HHCD	
CC(C)n1nccc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	765683104	LXTHXAIMXAXKNB-SFHVURJKSA-N	415.538	3.526	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1	769289313	DKFYAJWWCJPCSZ-UHFFFAOYSA-N	411.683	3.795	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@H]1c1ccccc1	769693027	YTDXIAPFPSTBFL-KRWDZBQOSA-N	414.508	3.842	10	20	HHCD	
O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771064785	KVQRBQDEJSNFSN-SFHVURJKSA-N	417.893	3.667	10	20	HHCD	
CCCCS(=O)(=O)Cc1noc(-c2ccc3c(c2)c(C)c(C)n3CCOC)n1	771603313	RIFRYSAAABBSDM-UHFFFAOYSA-N	405.520	3.669	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN[C@@H](C)[C@@H]2CCOC2)sc(C)c1-c1ccccc1	771812251	LMQYEYNBKMWXLP-WMLDXEAASA-N	416.543	3.853	10	20	HHCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cc(F)ccc1Br	771912939	HICOCDUDFNPHBZ-UHFFFAOYSA-N	414.281	3.908	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C(=O)OC(C)(C)C	772374629	BCWUNECMJCRQJH-IEBWSBKVSA-N	414.550	3.650	10	20	HHCD	
C[C@H](NCCCC(=O)N1CCc2ccccc21)c1ccc(N2CCOCC2)c(F)c1	772982497	WLGQSTGLXMXOCY-SFHVURJKSA-N	411.521	3.682	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)C(F)(F)F)CC2)cc1F	773284366	GLQMJOGAXZZPFM-UHFFFAOYSA-N	403.420	3.725	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)c1	774218964	LMCSWAFXPMLHNT-XIKOKIGWSA-N	423.307	3.739	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN(C[C@@H]1CCOC1)C1CC1	775650009	WRDQWGNVNXPERK-JTQLQIEISA-N	405.130	3.918	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cn(-c2ccccc2)nc1-c1ccncc1	779481640	PKUFIDNKDUCSBZ-CLFYSBASSA-N	412.449	3.675	10	20	HHCD	
CSCc1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	782639745	OKUZGEZFXRIGMC-UHFFFAOYSA-N	417.550	3.649	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1F	782924581	APHSTIFMURWGOO-UHFFFAOYSA-N	423.447	3.975	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(-c2ncco2)cc1	783316220	JVROKKJOOZAEOB-UHFFFAOYSA-N	406.486	3.783	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1	784563022	CVVGZPOOSCJEAZ-MRXNPFEDSA-N	414.527	3.592	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCCC(=O)N(C)C)c2C)cc1F	785833102	BFOLLVFRAVKFGP-UHFFFAOYSA-N	402.466	3.526	10	20	HHCD	
CC(C)(C)c1cc(NC(=O)NCCCSc2nccs2)n(-c2ncccn2)n1	789269280	LCLCZEOKUZMXCR-UHFFFAOYSA-N	417.564	3.720	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H](c1ccccc1)C1CCC1	789854756	DHRXQTQFTGOOTO-QFIPXVFZSA-N	423.582	3.514	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1sc(COC)nc1C	791249949	NLCAXUPSDJWMCX-UHFFFAOYSA-N	419.547	3.600	10	20	HHCD	
Cc1c([C@@H](C)NC(=O)C(=O)NCCCSc2nccs2)oc2ccccc12	793628201	SKMKCTRINTWXLY-CYBMUJFWSA-N	403.529	3.674	10	20	HHCD	
Cc1nc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)sc1C	800636998	RZLKBKIRAGIYFZ-LBPRGKRZSA-N	420.966	3.905	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(CC(=O)NC)CC1	801976196	QSBPPQOWUBMNJO-UHFFFAOYSA-N	420.561	3.725	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2CCN(CC(F)F)CC2)cc1	806426062	WUSOFWQMAZLDET-UHFFFAOYSA-N	405.489	3.852	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCCC[C@@H]3c3cc[nH]n3)cc2F)C[C@@H](C)O1	806458407	YBMRRJALBKPOCL-VWKPWSFCSA-N	415.513	3.599	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[C@@H]1c1ccccc1Cl	807291128	GSBQXRAIQDHCJF-OAQYLSRUSA-N	409.917	3.696	10	20	HHCD	
COc1ccc(-c2ocnc2C(=O)NCc2cccc(Br)c2O)cc1	809798809	SLIJCIFBPFYAHH-UHFFFAOYSA-N	403.232	3.748	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnc(C(F)(F)F)cc3C)CC2)cc1F	810266263	YMJJPDCUUVLHIH-UHFFFAOYSA-N	412.387	3.911	10	20	HHCD	
C[C@]1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)OCCc2sccc21	812551104	AGYKMBBKZISNCM-HTAPYJJXSA-N	416.543	3.632	10	20	HHCD	
O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2	814289349	NDSUIHNCGHOZPO-NAOMJURGSA-N	400.569	3.913	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)[C@H](c2ccccc2)C(C)C)c(C)n1-c1ccccn1	816111107	PYRFGZWXCPEDDR-NRFANRHFSA-N	411.527	3.946	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	916505731	AWCQKOMJNBNSBW-VWPQPMDRSA-N	417.594	3.841	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2F)C[C@@H](C)O1	917086204	IXUUZSWGZUHOLC-VXGBXAGGSA-N	405.455	3.669	10	20	HHCD	
Cc1cc(CCNC(=O)CCn2cc(Br)cn2)c(C)n1-c1ccccc1	917627003	HLTWMAGXWRKCBQ-UHFFFAOYSA-N	415.335	3.802	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4cc(F)ccc4s3)cc2)C1	918370853	CBYRWAKTBMAJBQ-HNNXBMFYSA-N	411.502	3.672	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)COCc1ccccc1	919798627	FVQKLRFOGBUDGR-DENIHFKCSA-N	412.530	3.936	10	20	HHCD	
O=C(NCCCCOc1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1	1251156184	QBFJFMCJLHPKNR-UHFFFAOYSA-N	411.546	3.554	10	20	HHCD	
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3c(Cl)ccc4nonc34)C2)c1	1261140537	WFCRSWNAABFDGR-CQSZACIVSA-N	412.877	3.984	10	20	HHCD	
CNC(=O)[C@H]1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c2ccccc2O1	1317736366	VRZUSUKALWTVSL-OAQYLSRUSA-N	423.900	3.901	10	20	HHCD	
O=C(CCc1ccc2c(c1)CCO2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	1319044725	DRAMQBGKBWDCSK-GOSISDBHSA-N	416.468	3.941	10	20	HHCD	
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)sc2c1CCCC2	1320707577	WHBCRFLTUZWIPG-OAHLLOKOSA-N	412.511	3.892	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccn(-c4ccc(F)cc4C)n3)CC2)cc1	1323701398	NSVKBZZNNBTALX-UHFFFAOYSA-N	408.477	3.681	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Cn2ccnc2[C@H](O)c2cccnc2)c1C	1324147974	PWWSYGUQHRSSQZ-HSZRJFAPSA-N	400.482	3.959	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccn(-c3ccncc3)n2)c(C)n1-c1ccccc1	1324685476	HKVQYFRTLUXYER-UHFFFAOYSA-N	400.438	3.715	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)nc3OCC)CC2)cc1	1343686594	DVTOEMKJEDYBRF-UHFFFAOYSA-N	423.435	3.860	10	20	HHCD	
CCOC(=O)/C(=C/c1ccc(N2CCN(C)CC2)c(F)c1)c1ccncc1Cl	1347422154	JXMFTJIFETVNKN-SFQUDFHCSA-N	403.885	3.730	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CC3(F)F)C2)cc1	1843854057	NJGKGKSFFYCHOH-IBGZPJMESA-N	413.468	3.566	10	20	HHCD	
CC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	195720541	PMSBYGCHOLXNRL-HXUWFJFHSA-N	400.567	3.513	10	20	HHCD	
Cc1cc(O)c(CNCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1C	237862007	NEJHZEIWHMVULR-UHFFFAOYSA-N	412.511	3.890	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccccc3Br)CC2)cc1	303495630	XDYQMGHEVYGZEI-HNNXBMFYSA-N	419.319	3.574	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCSc1ccc2c(c1)OCCCO2	437009438	ICEFMZKIBYVSPJ-UHFFFAOYSA-N	414.527	3.822	10	20	HHCD	
Cc1nn(C)c2ncc(/C=C3\CCn4c3nc3cc(C(F)(F)F)ccc3c4=O)cc12	508586676	HFMIMRNRPXYHGQ-NTUHNPAUSA-N	411.387	3.950	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](OCc4ccncc4)C3)ccc21	509085779	YSKVKTBOGVJTPI-OAQYLSRUSA-N	407.514	3.731	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1OC	727250162	ITXLZMWXKMGMTE-UHFFFAOYSA-N	412.439	3.906	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1ccccc1F)C1CC1	727601116	MBXXLWQWUXUVJB-UHFFFAOYSA-N	401.457	3.676	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(NCCO)cc2)c(C)n1-c1cccc(F)c1	728325115	CABKDEYVQFYCGC-UHFFFAOYSA-N	410.445	3.677	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCc2sccc2C1	730674365	QJVJVIVPUSOBRJ-UHFFFAOYSA-N	403.523	3.506	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1F	730900559	TWZZZAYVLUGWDT-INIZCTEOSA-N	405.445	3.910	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(OC)ccc2Cl)cc1F	731408978	GTJCWEFJNNEVIM-UHFFFAOYSA-N	407.873	3.589	10	20	HHCD	
O=C(N[C@H]1CCOc2ccc(F)cc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	731761179	WGATXOHOCBRJSU-HKUYNNGSSA-N	400.450	3.746	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)NCc1ccccc1Cn1cccn1	732204085	CGZHHVXFZZRYBM-UHFFFAOYSA-N	418.541	3.698	10	20	HHCD	
CCS[C@H]1CCCCN(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1	732592430	KCGHWUHZTYOOKR-IBGZPJMESA-N	422.614	3.785	10	20	HHCD	
Cc1cc(C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	733275564	LJFPYUVNDNRDJD-CQSZACIVSA-N	408.951	3.785	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1	734161372	REDRRIKICCHHJT-UHFFFAOYSA-N	419.447	3.974	10	20	HHCD	
Cn1ccnc1-c1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	736974445	XTLVSBMLCBEOSL-UHFFFAOYSA-N	407.543	3.962	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cccc1[N+](=O)[O-]	742799534	LCORCICUQFEFEF-CQSZACIVSA-N	405.401	3.903	10	20	HHCD	
CCN(CC)C(=O)c1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1	743550182	HRMGRCSIFFOPGE-UHFFFAOYSA-N	409.530	3.752	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@H](O)COCc1cccc(OC)c1	743870875	FJWURKWDYXPXOG-SFHVURJKSA-N	424.335	3.563	10	20	HHCD	
Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	744664775	WJKXZYSXLFURLQ-UHFFFAOYSA-N	422.401	3.697	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@H](Cc2ccccc2)C1	745647566	LEYCEFUWLJQIKO-HXUWFJFHSA-N	411.521	3.561	10	20	HHCD	
C[C@@H](Cc1cccc(O)c1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745736966	MEQOVZJXSWSFQU-RDJZCZTQSA-N	419.472	3.893	10	20	HHCD	
COc1ccc(C(C)(C)CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	746971280	ACEDGNIUIJDPBD-UHFFFAOYSA-N	411.546	3.651	10	20	HHCD	
CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C	748376965	LOWXNXFCQDNSSZ-OAQYLSRUSA-N	410.514	3.920	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1	748825385	NJAVAIBNHVLBKB-UHFFFAOYSA-N	418.582	3.979	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1	750859976	VXRSCDYWKWTQGT-UHFFFAOYSA-N	416.468	3.961	10	20	HHCD	
CC(C)CCN1CCC(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	751087794	OTZMFSPRCDEOTK-HXUWFJFHSA-N	416.610	3.642	10	20	HHCD	
CCN(CC)c1nc2sc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2s1	753639738	AWLYIYBGJLKPJP-LLVKDONJSA-N	405.545	3.976	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](C)c3cc(F)ccc3OC)CC2)cc1F	753843593	WVDLSCNOQZHKTO-AWEZNQCLSA-N	405.445	3.575	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3cccn(Cc4ccccc4)c3=O)ccc21	755856784	RDBIEXAJAMNLLD-UHFFFAOYSA-N	402.498	3.601	10	20	HHCD	
CCc1cc2c(CN(Cc3ccccc3O)C[C@H]3CCCO3)cc(=O)oc2cc1O	756337290	RLCVZZBQTVXLMS-LJQANCHMSA-N	409.482	3.948	10	20	HHCD	
CCN(CC)c1ccc(CN[C@H](Cc2ccc3c(c2)OCCCO3)C(=O)O)cc1F	756386724	IZTVNIYMUHECDL-LJQANCHMSA-N	416.493	3.619	10	20	HHCD	
CCc1cc(N2CCC[C@@H](N[C@H](C)c3ccc(Br)cc3O)C2)ncn1	756713028	UMVDIHJEYJPCSU-CZUORRHYSA-N	405.340	3.827	10	20	HHCD	
CCNC(=O)COc1ccc(N[C@H](C)c2cc(Br)c(F)cc2O)cc1	756802445	JENOVVIDANBGDQ-LLVKDONJSA-N	411.271	3.982	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)CC)cc2)cc1	756935235	AWENQGRKNSXMKW-UHFFFAOYSA-N	402.560	3.575	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CCC[C@@H]1CO)c1ccc(Br)cc1O	757638630	MIKAOZDRNWWRSJ-DNVCBOLYSA-N	419.363	3.962	10	20	HHCD	
COc1cc(Cl)cc(CNCc2csc(CNC(=O)c3ccccc3)n2)c1O	761214256	BPIUXCHFJTWRRA-UHFFFAOYSA-N	417.918	3.731	10	20	HHCD	
O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N(Cc1ccco1)Cc1ccccc1O	761747443	XHZFZAVRERHXHC-UHFFFAOYSA-N	417.465	3.693	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4c(F)cccc43)cc2F)C[C@@H](C)O1	764685629	RVLUXFQVWSPSRB-HUUCEWRRSA-N	401.457	3.851	10	20	HHCD	
CCn1c(-c2cnccn2)nn(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1=S	764910497	OKNCNXULCSTLRK-UHFFFAOYSA-N	411.579	3.825	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)NCc1ccccc1	765390121	AIKYTKDAAMTGAT-IRXDYDNUSA-N	401.938	3.532	10	20	HHCD	
CC[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc2c(c1)OCCO2	765476178	HPIAHBXFWCLDMT-OAHLLOKOSA-N	421.291	3.876	10	20	HHCD	
COc1cc(O)c(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1OC	768465353	ZQZJUHDAQXLTHV-QGZVFWFLSA-N	410.470	3.550	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3c(-c4ccccc4)cccc32)c1	768532641	NCOOIOUHCHEEOG-UHFFFAOYSA-N	408.479	3.634	10	20	HHCD	
Cc1ccc(Oc2ccc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)cc2)nn1	772051966	ABYNHHFGLIHRPO-UHFFFAOYSA-N	424.844	3.905	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)c(C)o1	773624802	KWRFYQVQOYVYNO-INIZCTEOSA-N	412.534	3.627	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)nn1[C@@H]1C[C@H]2CC[C@H]1C2	775137088	HNTHDESFTDQKSF-IRFCIJBXSA-N	423.561	3.606	10	20	HHCD	
CC[C@@H](NCCNC(=O)c1c(F)cccc1F)c1cc(Br)ccc1O	775521165	SCUPJGAPHKJOPQ-OAHLLOKOSA-N	413.262	3.904	10	20	HHCD	
CC[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1cc(Br)ccc1O	775524545	BUAIMHUGUOIIHG-INIZCTEOSA-N	410.333	3.725	10	20	HHCD	
CCOCCO[C@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1	775740346	VGDQJXHFAFJBSB-ZDUSSCGKSA-N	423.145	3.545	10	20	HHCD	
CCN(C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1)CC(F)(F)F	776250265	TWHKLXZNKCNXMY-HOTGVXAUSA-N	400.489	3.729	10	20	HHCD	
O=C([C@H](O)Cc1cccc(C(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	779019319	RBRRATWCTLBEFS-UYAOXDASSA-N	423.431	3.522	10	20	HHCD	
COc1cc(Cl)cc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1O	779190685	DBRAYDGCTZKLMI-AWEZNQCLSA-N	424.950	3.787	10	20	HHCD	
CC(=O)N[C@H](C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C)C(C)C	779377063	DRKPLTLLHNONMC-FQEVSTJZSA-N	422.884	3.773	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1	779518099	WKWJCWYEOGKJNH-JICACKBISA-N	404.507	3.701	10	20	HHCD	
CCCN(C(=O)c1cccs1)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779537358	OOCSXUHNMREXJL-SOFGYWHQSA-N	414.527	3.716	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1	780310536	KXARVZKEQGKCHK-APWZRJJASA-N	401.473	3.816	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCN2C(=O)OC(C)(C)C)cc1	780329182	IELLNJSTMYMCRN-HXUWFJFHSA-N	413.518	3.884	10	20	HHCD	
Cc1ccc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)c(O)c1O	780981973	XIRSENLARKDXCI-UHFFFAOYSA-N	419.319	3.563	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	782648436	IQKAVSAGOPPOOO-ZWKOTPCHSA-N	404.555	3.730	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F	783138023	OBRARYCFKGWCFE-MRXNPFEDSA-N	417.437	3.923	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1	784025696	HVDOJEDIDJQAFT-UHFFFAOYSA-N	402.401	3.583	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3ncnn3CC(F)F)c2C)cc1	786216354	IURKXNSHAXGRIT-UHFFFAOYSA-N	401.461	3.574	10	20	HHCD	
CC(C)n1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1	787074188	PYISPRYJQRFAJC-IBGZPJMESA-N	415.538	3.526	10	20	HHCD	
CCOC1CC(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	788798028	LXRNMMVZKCMQJG-KOHRHEQBSA-N	411.493	3.761	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1nc2c(s1)CCCCCC2	789554609	VAOZQEHMDYIMNI-UHFFFAOYSA-N	413.543	3.641	10	20	HHCD	
O=S(=O)(NCCCNCc1cc(Cl)cc(Cl)c1O)c1ccccc1Cl	798499881	FBECUYJUCBBPSC-UHFFFAOYSA-N	423.749	3.811	10	20	HHCD	
CCOC(=O)/C(=C\c1cn(-c2ccccc2C)nn1)c1nccn1Cc1ccccc1	806572126	WIAQLSWROGMOEP-QNGOZBTKSA-N	413.481	3.924	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2	807005563	BVBSUBZLFUBTGM-UHFFFAOYSA-N	410.470	3.513	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1	808095401	ZNFNMJAUWWGXRR-SFHVURJKSA-N	415.530	3.663	10	20	HHCD	
CN(C)CCOc1ccc(/C=C\C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	808112690	IGIQWRXYBOTSNK-SXGWCWSVSA-N	407.558	3.897	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H]1CCN(c2ccccc2Cl)C1	811460113	XWCMGALOPRZOAU-ZDUSSCGKSA-N	409.711	3.951	10	20	HHCD	
CCOc1ccc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	917707995	AUTQYCKLVTZYPI-IAGOWNOFSA-N	400.494	3.697	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCOc1cccc2ccccc12	918019527	XMOJITULURTJIY-UHFFFAOYSA-N	419.525	3.897	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1	918082190	MDGMQGFVAQTFPY-UHFFFAOYSA-N	404.555	3.685	10	20	HHCD	
O=C(NCCc1ccc2ccccc2c1)NCc1ccc(N2CCOCC2)c(F)c1	918213621	IWGDQFCZDHDJAK-UHFFFAOYSA-N	407.489	3.857	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(Cl)c1	918296673	XWADAGHLVHOLFS-MRXNPFEDSA-N	402.878	3.500	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CC3CCCCC3)cc2F)C[C@@H](C)O1	918834869	WRYKQLOMJKIBKW-CALCHBBNSA-N	420.525	3.569	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)CS(=O)(=O)CC(C)C)c2C)c1	919334044	VDYNUVRXRQLMCX-UHFFFAOYSA-N	419.543	3.508	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1ccc(N2CCOCC2)cc1	919772109	QZXKBVBQUYNOQG-UHFFFAOYSA-N	405.502	3.647	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)nc3O)CC2)cc1	1116347947	GFDAOKHHDCKMNE-UHFFFAOYSA-N	403.482	3.815	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc4c(C(F)F)nn(C)c4s3)CC2)cc1	1116858885	NZCDBEXJXYOKQI-UHFFFAOYSA-N	420.485	3.934	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H](C(C)C)N2CCOCC2)c1	1248724958	OWOHIGYHSUGACJ-NRFANRHFSA-N	403.954	3.834	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1nc(C(C)(C)C)cs1	1251686753	JAQDLRMDSGVCNB-AWEZNQCLSA-N	420.554	3.977	10	20	HHCD	
CO[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)cc1	1319160134	NWDWZXHTOSUAGE-TZIWHRDSSA-N	402.466	3.610	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(Cc2ccccc2Cl)n1C[C@@H]1CCOC1	1519184453	NVZZNIFCGCPQSA-INIZCTEOSA-N	412.921	3.901	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3ncc(-c4ccccc4)o3)CC2)cc1	115676121	OAPJDCIVYMQZQL-UHFFFAOYSA-N	409.511	3.791	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cc(-c3ccccc3)ns2)n(C)c2ccccc12	472781291	BPUZSUNJHNRMCC-UHFFFAOYSA-N	404.495	3.865	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cc(Br)ccc2F)n(C)c2ccccc12	472795575	ZZPPTBDGOAOULM-UHFFFAOYSA-N	418.266	3.643	10	20	HHCD	
CN(CCCNC(=S)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccccc1	726463155	QDHUGMPVSVYRLJ-FQEVSTJZSA-N	412.559	3.617	10	20	HHCD	
CSCc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	727595354	BAOACXBAGWAGQD-SFHVURJKSA-N	412.559	3.573	10	20	HHCD	
CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)C1CCCCC1	728516192	MKRSGVZCPXBRSG-OAQYLSRUSA-N	406.592	3.675	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCSc3ccccc3F)cc2F)CC1	730193147	XDDMKYFQPYBVCG-UHFFFAOYSA-N	419.541	3.905	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2nc(O)c3ccccc3n2)cc1F	731404188	IRKBRALGMCMVPV-UHFFFAOYSA-N	411.481	3.662	10	20	HHCD	
CCOC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	733797123	QCVABIFHPGEZHM-SJORKVTESA-N	420.509	3.538	10	20	HHCD	
O=C(NCCCSc1nccs1)/C(=C/c1cccnc1)NC(=O)c1ccccc1	733971723	CSNFWMOTMHWQIH-JXAWBTAJSA-N	424.551	3.608	10	20	HHCD	
COc1ccc(Br)cc1C(=O)NCc1ccc(N2CCSCC2)cc1	741670629	HBOSGRSTZMBAGV-UHFFFAOYSA-N	421.360	3.941	10	20	HHCD	
COc1cccc(CNc2ncnc3ccc(I)cc23)c1O	742400193	QEBBNNNBAGLEKL-UHFFFAOYSA-N	407.211	3.561	10	20	HHCD	
CCOc1cccc(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)c1	743284010	HOKPJIDDCJYHQN-GZTJUZNOSA-N	419.549	3.895	10	20	HHCD	
COc1ccc(N2CCCN(Cn3c(=O)oc4cc(C(=O)C(C)C)ccc43)CC2)cc1	743349530	DNZGDCGHDDCHQD-UHFFFAOYSA-N	423.513	3.612	10	20	HHCD	
O=C(COc1ccc([N+](=O)[O-])c(F)c1)N(Cc1ccco1)Cc1ccccc1O	743430842	MCBOUKKKWAEFLX-UHFFFAOYSA-N	400.362	3.640	10	20	HHCD	
CCCC(=O)N1CCC[C@H](C(=O)N(CC)Cc2cc(Br)ccc2O)C1	743807763	FQYJRERAZBBOFD-AWEZNQCLSA-N	411.340	3.542	10	20	HHCD	
O=C(N[C@@H]1COc2ccccc2C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745614883	HSEFFJZTAXIPHZ-IRXDYDNUSA-N	417.456	3.560	10	20	HHCD	
O=C(CN1CCN(C[C@@H]2CCOC2)CC1)Nc1ccc(N=Nc2ccccc2)cc1	749853124	ULKMBRSGXJQJBR-IBGZPJMESA-N	407.518	3.695	10	20	HHCD	
Cc1cc(C(=O)CN(C)CC(=O)N2CCCC2)c(C)n1-c1cccc(C(F)(F)F)c1	749900622	YJLFTKCGPKKWKD-UHFFFAOYSA-N	421.463	3.850	10	20	HHCD	
CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	750875498	UXUYTQSGZAVIRU-DVECYGJZSA-N	424.541	3.930	10	20	HHCD	
Cc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc([N+](=O)[O-])cc1[N+](=O)[O-]	751303193	WIPWMDPWKAJXGO-UHFFFAOYSA-N	418.369	3.773	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(Br)c(Cl)c2)c1	751999986	KASJKYZRSBQNRP-SECBINFHSA-N	420.712	3.856	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(CCC(F)(F)F)CC2CC2)c1	753110354	ZSXNMTYHZYUVPI-UHFFFAOYSA-N	414.468	3.591	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc([N+](=O)[O-])ccc1O	756539012	GXTRNOHFRGRAGX-TZMCWYRMSA-N	406.280	3.992	10	20	HHCD	
COc1ccccc1N1CC[C@H](N[C@@H](C)c2cc(Br)cc(F)c2O)C1=O	756741091	BTMFEWRQQAJVPE-NHYWBVRUSA-N	423.282	3.759	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1O	757674986	IXZKYATXXTUQKD-SNVBAGLBSA-N	419.286	3.732	10	20	HHCD	
CN(C)c1ccc(CN(CN2C[C@](C)(c3ccccn3)CC2=O)CC(F)(F)F)cc1	758220434	PZUXXICHSLUHEE-OAQYLSRUSA-N	420.479	3.660	10	20	HHCD	
COC(=O)c1ccc(NC(=O)NCCCSc2nccs2)c(OC(F)F)c1	758605052	WVMGFWBOXHRKAE-UHFFFAOYSA-N	417.459	3.835	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@H]1CCCN(c2ccccc2Cl)C1=O	759583200	INUJPXPPGWCBFS-AWEZNQCLSA-N	424.979	3.774	10	20	HHCD	
C[C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCS1(=O)=O	759998910	KEMNIBAOXZITDV-INIZCTEOSA-N	400.504	3.550	10	20	HHCD	
COc1cc(Cl)cc(CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1O	761196231	YXMOITXEFYEUMH-UHFFFAOYSA-N	421.328	3.673	10	20	HHCD	
COc1cccc(CNC(=O)Nc2nc(SCc3ccccc3)ns2)c1O	762955921	CJZYLFMOZXTFQL-UHFFFAOYSA-N	402.501	3.866	10	20	HHCD	
C[C@@H](CNC(=O)NCc1cccc(Br)c1O)COCc1ccccc1	764766846	IUQGYHXOOLMVGB-AWEZNQCLSA-N	407.308	3.807	10	20	HHCD	
CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)c1	765267361	UCSUPPADJLRUDX-GOSISDBHSA-N	401.576	3.826	10	20	HHCD	
COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCCO2	765285748	FVAUXNINHJGRJS-NRFANRHFSA-N	400.494	3.799	10	20	HHCD	
CC(C)CC(=O)N[C@H](C(=O)NCc1cccc(Br)c1O)c1ccccc1	765730448	BIAKVRVSKVTTNF-SFHVURJKSA-N	419.319	3.675	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NS(=O)(=O)CCCC(F)(F)F)c2C)c1	766675009	XKWRFALQQRXKJY-UHFFFAOYSA-N	402.438	3.805	10	20	HHCD	
CC(C)[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc2nc(O)oc2c1	774390586	JWRWSZKVWSRKIK-PGRDOPGGSA-N	422.529	3.722	10	20	HHCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]1CCN(Cc2ccccc2)C1	778799966	KMGGRIWYQJTTJJ-GHTZIAJQSA-N	407.558	3.981	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NS(=O)(=O)Cc2noc3ccccc23)c1C	779194141	KOJYUINMLJXJEZ-UHFFFAOYSA-N	423.494	3.804	10	20	HHCD	
Cc1nc([C@@H]2COCCN2C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)no1	779694398	VKXLSIDZSFTBKD-IBGZPJMESA-N	414.893	3.582	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(F)cc2F)cc1	782429128	IWSIQMLIGVOHIX-UHFFFAOYSA-N	413.424	3.791	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1	782895959	IBMCQMMECSHGIR-UHFFFAOYSA-N	411.502	3.874	10	20	HHCD	
CCC1(CC)Oc2ccc(NC(=O)C(=O)NCc3c(O)ccc4c3CCCC4)cc2O1	787890848	QYIZFOCTSCFPSK-UHFFFAOYSA-N	424.497	3.813	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C(C)C)[C@H](O)c3ccccc3)CC2)cc1	788958506	YSWUCKLGOWQPAT-XZOQPEGZSA-N	411.546	3.721	10	20	HHCD	
CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	789010128	BNPGAGXJHGIACK-HOTGVXAUSA-N	419.477	3.798	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cn1	790107587	IMWKVWYERDEDME-NTEUORMPSA-N	420.947	3.618	10	20	HHCD	
Cc1noc(C)c1C(C)(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	797448609	WDPWVANKKTVIJU-UHFFFAOYSA-N	407.461	3.956	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(OC(F)F)nc3)cc2F)C[C@H](C)O1	801953308	MDBNRQKDPSLWLI-STQMWFEESA-N	424.423	3.757	10	20	HHCD	
C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nccn1-c1ccccc1	806059923	SCICZNJQTNCLEF-IBGZPJMESA-N	419.529	3.612	10	20	HHCD	
O=C(NCc1nc(Cc2ccccc2)no1)NCc1cc(Cl)cc(Cl)c1O	806547795	RHADGDXXGJNXPZ-UHFFFAOYSA-N	407.257	3.672	10	20	HHCD	
C[C@@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1	806962248	CNYDSOKTUUPYIK-UYAOXDASSA-N	411.546	3.959	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C[S@@](C)=O)cc1	807560644	UUHGHEQXENLCRJ-MUUNZHRXSA-N	401.576	3.751	10	20	HHCD	
NC(=O)c1ccc(OCC(F)F)c(NCc2cc(Br)ccc2O)c1	810180825	NJIQXOIGVNLIAB-UHFFFAOYSA-N	401.207	3.510	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SC[C@@H](O)CN(C)C1CC1	811810962	AMRXNRRYTNULCZ-INIZCTEOSA-N	410.381	3.880	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)c(C)n1-c1ccccn1	812764463	WXXKQOMHHZETFR-KRWDZBQOSA-N	417.513	3.900	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1Br	814970585	VCOXAGBZKCIFNN-GFCCVEGCSA-N	418.244	3.525	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1	815329195	XUXWDEZUTTZXNW-UHFFFAOYSA-N	415.799	3.560	10	20	HHCD	
OCC1CCN(c2ccc(CNc3ccc(I)cn3)cc2)CC1	820630616	XHIFDUZHSDBMAF-UHFFFAOYSA-N	423.298	3.507	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cc1NC(C)=O	915222463	VDJMZXBFBLRWAY-UHFFFAOYSA-N	417.512	3.886	10	20	HHCD	
COc1ccc(/C=C\C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	916456289	CEFCEGAWLNMWFF-WTKPLQERSA-N	420.431	3.880	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3cc(C(F)(F)F)nc4ncnn34)cc2F)C[C@@H](C)O1	917086003	DDCHGEKKQWKADH-VXGBXAGGSA-N	424.402	3.508	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1	918429474	JALJRQLAFCZWOX-UHFFFAOYSA-N	403.910	3.758	10	20	HHCD	
CCN(CC)C(=O)c1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	919912901	IAPWETDLNHYOTJ-UHFFFAOYSA-N	424.545	3.669	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1	920043473	JRHLYMCPVKBJTK-UHFFFAOYSA-N	414.594	3.903	10	20	HHCD	
CC(C)NS(=O)(=O)c1cccc(CNCc2ccc(N3CCCCC3)cc2)c1	920180647	SJWFUTDOEHJECA-UHFFFAOYSA-N	401.576	3.653	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)cc2)cn1	1116889474	CGBSNUKJZWMEMW-GZTJUZNOSA-N	415.540	3.933	10	20	HHCD	
CCc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C(=O)OC)c1	1253536586	VSDSVEHWNMALBN-UHFFFAOYSA-N	411.502	3.536	10	20	HHCD	
CC(C)CN(CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C	1319655588	SLOBJGQKURBTOQ-SFHVURJKSA-N	419.566	3.594	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1cccc(NC(=O)CCN2CCOCC2)c1	1320244162	BMGSJNBMCJJWPU-RXVVDRJESA-N	423.557	3.700	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@]3(C)C[C@H]3C)C2)cc1	1845088490	BKWRUBAEUZEFMW-MZNJEOGPSA-N	405.542	3.957	10	20	HHCD	
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1	28669503	NUXICEBMYSKRNV-UHFFFAOYSA-N	412.493	3.690	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1	72082405	SCZKFMUSWUXDBP-UHFFFAOYSA-N	402.560	3.876	10	20	HHCD	
C[C@@H](Nc1ccc2nnc(-c3ccsc3)n2n1)c1ccc(N2CCOCC2)cc1	302568480	OKOYKOHHIZDTJV-OAHLLOKOSA-N	406.515	3.863	10	20	HHCD	
CSc1ncc(C(=O)N2CCOc3cc(N(C)C)ccc32)n1-c1ccc(F)cc1	443997864	YIRWUSCDWPCBSO-UHFFFAOYSA-N	412.490	3.839	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccc(F)c(Cl)c1	725875307	DBCGKUDOQXIALX-UHFFFAOYSA-N	405.901	3.687	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1	728153207	LRUZTPWJBQFRKL-UHFFFAOYSA-N	402.438	3.613	10	20	HHCD	
COC(=O)CN(CCC(=O)Nc1ccccc1SC)Cc1cc(Cl)ccc1O	731845443	YECFWGCHLJVTFO-UHFFFAOYSA-N	422.934	3.771	10	20	HHCD	
Cc1ccccc1[C@@H](O)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	732890377	ZSVYZJKUCRRVQX-FQEVSTJZSA-N	419.472	3.598	10	20	HHCD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(CNCc3ccc(N(C)C)c(F)c3)cc2)C1	733325069	VMKWRIUOTHCJFX-KRWDZBQOSA-N	419.566	3.602	10	20	HHCD	
CC(C)NC(=O)CSc1ccccc1C(=O)NCCCSc1nccs1	733972040	JLDHDQXUSDOTOF-UHFFFAOYSA-N	409.602	3.672	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)c1	734017358	FTIMABCLHGJHQV-UHFFFAOYSA-N	403.438	3.558	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(Br)cc1Cl	734502973	PJJZYZVZWCDBBZ-UHFFFAOYSA-N	417.756	3.955	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	734665726	QHWCAOYENIKCSN-QGZVFWFLSA-N	404.555	3.507	10	20	HHCD	
CCOC(=O)N1[C@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)CC[C@@H]1c1ccc(C)o1	736674914	WQBKRFJOGYIECP-OLMNPRSZSA-N	416.474	3.842	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc32)NC(=O)OC(C)(C)C)cc1	742750437	NVEKNHWIRDOMFU-RTWAWAEBSA-N	409.530	3.775	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)cc1	743233243	UQWGBNUMIFAKBE-UHFFFAOYSA-N	412.490	3.820	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)c(C)n1-c1ccc(Br)cc1	743893373	OOCYTOJEBFCNHF-ZDUSSCGKSA-N	420.351	3.890	10	20	HHCD	
COc1ccc2c(C)c(CCC(=O)NCc3ccc(N(C)C)c(F)c3)c(=O)oc2c1	746805373	XIEJPFSAMWLVKG-UHFFFAOYSA-N	412.461	3.564	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(OC2CCC2)c(F)c1	748982310	JOWHTXQPEBLPKO-UHFFFAOYSA-N	412.461	3.596	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c(F)c1	751136728	LUIGBZJRJBZORN-UHFFFAOYSA-N	408.451	3.963	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc4c(Br)cccc4[nH]3)CC2)cc1	751291316	ULHJLGHJKQADOI-UHFFFAOYSA-N	414.303	3.901	10	20	HHCD	
COC(=O)Nc1cc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)ccc1F	753883972	LSDVREXJWSQEHI-UHFFFAOYSA-N	420.416	3.506	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C)ccc2Oc2ccccc2)c1	754188977	BEQIQCRQVGQHJQ-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(Br)cc(F)c1O	756355027	FWDFQVLYCXYKBF-WMLDXEAASA-N	423.326	3.845	10	20	HHCD	
C[C@@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cc(F)cc(F)c1O	756394709	ZJSFYCSIHNEKFI-CQSZACIVSA-N	410.486	3.696	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc4c3CCN4S(C)(=O)=O)c2C)c1	756541003	AITLVBVGTWBYFL-UHFFFAOYSA-N	423.538	3.977	10	20	HHCD	
CCc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1CC	756930842	HMTLEXFRTXDJFQ-UHFFFAOYSA-N	416.952	3.637	10	20	HHCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(Br)cc2c1OCC2	758164450	JLZYGXKPZJYSLZ-UHFFFAOYSA-N	404.669	3.544	10	20	HHCD	
O=C1/C(=C/c2cnn(Cc3ccccc3Cl)c2)SC(=S)N1Cc1ccon1	764412840	VQCSINWHADWXJH-APSNUPSMSA-N	416.915	3.974	10	20	HHCD	
C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1Cl	765238922	QHFMQFNBFDKHEB-INIZCTEOSA-N	422.978	3.572	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl	765696562	LPZFGTNJJJODBV-HNNXBMFYSA-N	403.910	3.746	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(OC[C@H]2CCCO2)cc1	765726409	GYMACBXMVZSXMO-MRXNPFEDSA-N	406.276	3.643	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C1(OCc2ccccc2)CCOCC1	765747511	PHOSLYSXDAXXEK-UHFFFAOYSA-N	420.303	3.537	10	20	HHCD	
O=C(Cc1cccc(OCC(F)(F)F)c1)NCc1cccc(Br)c1O	765752024	DLJYBVJJDWCIQT-UHFFFAOYSA-N	418.209	3.955	10	20	HHCD	
COc1ccc(C(=O)C2CCN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1	766929924	ATKXXGKPOMBAHN-UHFFFAOYSA-N	400.431	3.720	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)cc1	768003476	JJAPWMIWMPOKQB-UHFFFAOYSA-N	424.545	3.635	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)csc1Br	771926628	HHAKYPJDPMJCPL-UHFFFAOYSA-N	413.312	3.725	10	20	HHCD	
CCn1nc(C)c(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1C	772497630	IEAJBDLRSDWMQR-UHFFFAOYSA-N	407.465	3.912	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](O)Cc2ccccc2Cl)cc1	772612532	RCAYEJGDNUBTSK-IRLDBZIGSA-N	416.949	3.517	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)n2)c1	773338800	IQKCVPRHPVOOKQ-CABCVRRESA-N	409.490	3.933	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	774483871	PXGYIDAQGCTWAO-WAWSTRMLSA-N	412.578	3.586	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1Cl	774787206	FHPZEZCMYPURAZ-DOTOQJQBSA-N	414.937	3.602	10	20	HHCD	
COC(=O)[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1	775172314	APCVENQGZWXYKE-RRGNZLCHSA-N	410.253	3.622	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3nccn4ccnc34)c2C)c1	777094226	DYBQKHOKWYLCBQ-UHFFFAOYSA-N	420.494	3.898	10	20	HHCD	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	779557134	VCTKMDLNLAIWCC-NRFANRHFSA-N	411.546	3.647	10	20	HHCD	
CCOc1cc(CN2CCCc3cc(OC)ccc32)ccc1O[C@H](C)C(=O)N(C)C	780766680	KLDAKXUCXCTHHR-QGZVFWFLSA-N	412.530	3.902	10	20	HHCD	
COC(=O)c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1	783482849	LPVXVHSIYCQUKK-INIZCTEOSA-N	417.465	3.788	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NCc2ccc(F)c(F)c2)cc1)C1CCCCC1	786681831	FBMDLNHGJMQBFX-UHFFFAOYSA-N	415.484	3.666	10	20	HHCD	
Cc1ccnc(-c2n[nH]c([C@H](C)NCc3cc(Br)cc(C)c3O)n2)c1	787335133	SWMPGPAXICMNHW-LBPRGKRZSA-N	402.296	3.802	10	20	HHCD	
CCC1(CC)Oc2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2O1	787878194	SMUZLVQYIMTKKS-UHFFFAOYSA-N	423.513	3.829	10	20	HHCD	
CCC[C@@H]1CCc2nc(NC(=O)C(=O)NCCCSc3nccs3)sc2C1	789610610	PAHZIMCVBLCDSF-GFCCVEGCSA-N	424.617	3.742	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1	789838718	HIZVEBUAZMJYSS-CYBMUJFWSA-N	400.866	3.749	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnnn2-c2cccc(F)c2)cc1	790903036	VNQMTTCPBBTFGX-UHFFFAOYSA-N	421.398	3.677	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](Nc2cccc(Br)c2)C1	791165846	WZOZKDLJZQJYII-UGAXZCSASA-N	417.303	3.977	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnn(-c3cccnc3)c2)c(C)n1-c1ccccc1	792220184	YEMVLTQIDRZOPP-UHFFFAOYSA-N	400.438	3.715	10	20	HHCD	
CN(C)c1ccc(CNCc2ccccc2CN2CCOCC2)c(C(F)(F)F)c1	792890173	VKOKICJOQDHFMT-UHFFFAOYSA-N	407.480	3.893	10	20	HHCD	
Cc1c(NCc2ccc(OCc3ccccc3)cc2O)cccc1N1C(=O)CNC1=O	793351481	ILKYYBDYWIRWAL-UHFFFAOYSA-N	417.465	3.948	10	20	HHCD	
Cc1noc(C(C)(C)NCc2cc(Br)cc(Br)c2O)n1	793609444	KJKBJMXIDWOPHQ-UHFFFAOYSA-N	405.090	3.634	10	20	HHCD	
Cc1nccc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1	795420442	QRKFISANPPDXHI-XNTDXEJSSA-N	419.553	3.571	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnc(Cl)c(Br)c1	797645974	NGJSDISWISBFDK-QMMMGPOBSA-N	400.660	3.661	10	20	HHCD	
CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1CCc1ccccc1	802297175	XZULMVFINJCXOK-UHFFFAOYSA-N	405.546	3.556	10	20	HHCD	
Cc1cc(-c2nnc(N3CCS(=O)CC3)n2CC(C)C)c(C)n1-c1ccccc1	802665187	OHFMIQLZRIMLSJ-UHFFFAOYSA-N	411.575	3.577	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c(C)n1-c1ccc(F)cc1	804891978	UMBUPICDZSZHRO-FQEVSTJZSA-N	413.880	3.713	10	20	HHCD	
Cc1ccc(C[C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)c1	805179155	SNQRDAMFWAQNCQ-NRFANRHFSA-N	421.585	4.000	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H](C1CC1)C(F)(F)F	806878562	SHRVIIBYCIHVLJ-WFASDCNBSA-N	407.383	3.897	10	20	HHCD	
Cc1ccc(C[C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1	807278619	WGXKQKVJGYQYQX-MRXNPFEDSA-N	401.576	3.607	10	20	HHCD	
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	808502440	INIYDQVSLYDUDE-IBGZPJMESA-N	421.463	3.829	10	20	HHCD	
CNS(=O)(=O)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1	813354849	JJCGNKYDVSNKQV-UHFFFAOYSA-N	407.539	3.770	10	20	HHCD	
O=C1CC[C@]2(C(=O)NCc3cc(Cl)cc(Cl)c3O)Sc3ccccc3N12	813682493	CNLFGCNBCPFNCK-GOSISDBHSA-N	409.294	3.944	10	20	HHCD	
CCOC1CC(CN[C@H](CCc2ccccc2)c2ccccc2O)(N2CCOCC2)C1	815621033	JQMPQQPOGRYDIH-UMGQLZEVSA-N	424.585	3.926	10	20	HHCD	
C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2c(c1)OCO2	815835014	IBMUIMBUVXXNAC-RDTXWAMCSA-N	416.905	3.659	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc2c1OCCO2	914454823	BUSCNIGSXYEKAM-UHFFFAOYSA-N	422.481	3.968	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(Cc2cccs2)C2CC2)c1	914569797	RINAXGSRMCUFRX-UHFFFAOYSA-N	400.544	3.653	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2c2cccs2)c1	915840405	XOWNEAGUZQFPEZ-FQEVSTJZSA-N	400.544	3.826	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)n2)s1	917872647	NQTHRYLAKFBUQN-UHFFFAOYSA-N	407.542	3.683	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1OC	917902911	ZBIIZWGYSNPDMB-UHFFFAOYSA-N	411.530	3.701	10	20	HHCD	
CN(C)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)cc1	918090530	GYSWBOYAWZFJRR-RTWAWAEBSA-N	415.509	3.525	10	20	HHCD	
Cc1c(Cl)cccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918296667	XMOQAWFCZFRXDC-MRXNPFEDSA-N	402.878	3.500	10	20	HHCD	
CCOc1ccc(NC(=O)CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	920343292	RRCTUPNGHSLMHP-UHFFFAOYSA-N	424.545	3.856	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCN4CCC[C@H]4C3)cc2Cl)C1	1256619251	AMGVKFIQKUZGCT-MJGOQNOKSA-N	404.986	3.956	10	20	HHCD	
Cc1nc(CSCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cs1	1325424728	YLMFVNDUDOXSQS-HXUWFJFHSA-N	419.616	3.959	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)S(=O)(=O)c3ccc(F)cc3)ccc21	1338543524	RKAYBHHFXIWDIA-UHFFFAOYSA-N	418.490	3.505	10	20	HHCD	
CC1=CC[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)CC1	1788428035	TZPADQVEUNXIRU-MRXNPFEDSA-N	421.497	3.987	10	20	HHCD	
CCOC(=O)Cc1csc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n1	302819552	ZEGGABWSVHYVOZ-UHFFFAOYSA-N	413.499	3.917	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C	303312527	FZVBZRLPYAPVCJ-UHFFFAOYSA-N	401.470	3.882	10	20	HHCD	
O=C(Nc1ccnn1-c1ccc(Br)cn1)c1ccc(C2=S=CC=C2)o1	448540280	YOYTVHMAUNCAKG-UHFFFAOYSA-N	415.272	3.501	10	20	HHCD	
CCn1c(SCC(=O)NCc2c(C)c3ccccc3n2C)nnc1-c1ccco1	471238228	RSFMOFWPJJRGIK-UHFFFAOYSA-N	409.515	3.767	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cnc(Cc4ccc(F)cc4)s3)CC2)cc1	727063376	VGIGBPGFSFRUQI-UHFFFAOYSA-N	411.502	3.844	10	20	HHCD	
Cc1ccccc1-c1nc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1	727559674	IMFPLTAYHHYXBM-UHFFFAOYSA-N	423.538	4.000	10	20	HHCD	
O=C1CCCc2cc(NC(=O)NCc3ccc(N4CCSCC4)cc3)ccc2N1	728696377	XPXZOOQGHKWCCJ-UHFFFAOYSA-N	410.543	3.836	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	728697485	HHGFLPBRXGXCEY-LFIBNONCSA-N	409.785	3.970	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1	728950537	RZPIOGBTYPRQQR-KGLIPLIRSA-N	405.445	3.566	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1	729061484	FXYZLJISDVGEMC-AWEZNQCLSA-N	412.461	3.576	10	20	HHCD	
COc1cccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1O	729858798	CDPTZJMHVFUNFO-HXUWFJFHSA-N	404.466	3.578	10	20	HHCD	
COc1ccc(C(C)(C)CNC(=O)NCc2ccc3c(c2)CCCN3C)cc1OC	730029054	ACKOJFNBIIOOBF-UHFFFAOYSA-N	411.546	3.863	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cccc4cccnc34)cc2F)CC1	730110315	KNJGEYKERQCNPD-UHFFFAOYSA-N	407.493	3.838	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(CCN(C)C)Cc3cccc(C)c3)CC2)cc1	734275682	BACUOWLUYZXRDK-UHFFFAOYSA-N	424.589	3.746	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)NCc2ccc(N(C)C)cc2C)N2CCCC2)c1	734654259	RYTRVLXHGOTNIN-HSZRJFAPSA-N	410.562	3.706	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@H](O)c2ccc(F)cc2)CC1	740919269	KZQYSRZZDYLDSW-HSZRJFAPSA-N	409.505	3.857	10	20	HHCD	
C[C@@H]1CN(c2ccc(NC(=O)NCc3c(O)ccc4c3CCCC4)cn2)C[C@@H](C)O1	743098829	SUNONQMRIMBPDK-HZPDHXFCSA-N	410.518	3.601	10	20	HHCD	
CCn1nnnc1-c1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	743177640	KJYHIMWCUWBYDQ-UHFFFAOYSA-N	405.506	3.623	10	20	HHCD	
CC(=O)OCCN(C)c1ccc(/C=C2/N=C(c3cc4ccccc4[nH]3)OC2=O)cc1	743278006	CAXLMCPMHHNMGV-FYJGNVAPSA-N	403.438	3.512	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H](C)Oc3ccccc3F)CC2)cc1	743677402	CIGKFTACWHZGPD-QGZVFWFLSA-N	401.482	3.524	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3[C@H](C)C[C@@H]4CCCC[C@H]43)cc2F)C[C@@H](C)O1	743853661	BRHMKISNIBMIMG-IEATVEBOSA-N	417.569	3.709	10	20	HHCD	
Cc1nnc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc2)o1	746018828	NUMMHTKBHKHALJ-JOCHJYFZSA-N	420.513	3.932	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)cc1	751146056	HMOPCZCLUPSSGR-UHFFFAOYSA-N	412.511	3.770	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2O)c2ccccc12	751316742	AMINJNYNZYJVGW-AWEZNQCLSA-N	401.484	3.992	10	20	HHCD	
O=S(=O)(c1cncc(Br)c1)N(Cc1ccccc1O)C1CCCC1	751356865	YACHBWHDRUUPFJ-UHFFFAOYSA-N	411.321	3.683	10	20	HHCD	
COc1ccc(O)c(CNS(=O)(=O)c2ccc(OC(C)C)c3ccccc23)c1	751415229	NMXBYNFLTHSHAQ-UHFFFAOYSA-N	401.484	3.820	10	20	HHCD	
COc1ccc2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2c1	751692391	LJULCRCKXHDGPO-UHFFFAOYSA-N	417.509	3.887	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCOC1	752845747	PLMMMJFLVXNQMO-HXUWFJFHSA-N	420.561	3.936	10	20	HHCD	
C[C@@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(Br)cc1O	756366118	FGGOKXRUCZZKPK-BEFAXECRSA-N	405.336	3.879	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@H](Cn2nc(C)cc2C)C(=O)O)cc1	756391111	XXSFEZJUUHDKFK-HSZRJFAPSA-N	406.530	3.769	10	20	HHCD	
O=C1N[C@@H](c2ccccc2F)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761635154	KBQWITZAVCOQGY-KDOFPFPSSA-N	419.403	3.689	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1COc2ccc(Cl)cc21)c1ccc(N2CCOCC2)cc1	762276637	WGBZKIVZBBEWHI-LIRRHRJNSA-N	401.894	3.671	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1C	766946683	QUDAOIKBJNWJED-URXFXBBRSA-N	420.557	3.907	10	20	HHCD	
CNC(=O)Cn1nc(NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)cc1C	768002880	FKGMCXYNVSPTTI-UHFFFAOYSA-N	407.518	3.721	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Cn2cnc3c(cnn3C(C)C)c2=O)c1C	768467388	YUBAGBJYPGEQML-UHFFFAOYSA-N	403.486	3.773	10	20	HHCD	
CCCCCC(=O)NC1CCN(Cc2cc(Br)cc(OC)c2O)CC1	769223810	ROPIKOHAAHFQED-UHFFFAOYSA-N	413.356	3.824	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1O	769508458	VKJMNWBSEMBIGN-KRWDZBQOSA-N	420.893	3.936	10	20	HHCD	
Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(C)c1O	769999022	GSHLPVNYFDUTRP-UHFFFAOYSA-N	418.496	3.829	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Br)nc1	771066312	QYHTYLQCPGBHGD-OAHLLOKOSA-N	424.726	3.598	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC(C)(C)S(C)(=O)=O)cc1	772160199	STEZIMKTDOLGAB-UHFFFAOYSA-N	402.520	3.721	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1nc(-c2cccc(Br)c2)no1	772777304	UOCGCPCBKODZNT-FNORWQNLSA-N	417.215	3.667	10	20	HHCD	
C[C@@H](NCCCC(=O)N1CCc2ccccc21)c1ccc(N2CCOCC2)c(F)c1	772982495	WLGQSTGLXMXOCY-GOSISDBHSA-N	411.521	3.682	10	20	HHCD	
Cc1nc(CN2CCC(CNC(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)oc1C	773295526	YYDPXOAVRIFGAO-QGZVFWFLSA-N	413.566	3.630	10	20	HHCD	
C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)c(Cl)cc1O	774350018	QHTKJLCPNUPXOD-LIRRHRJNSA-N	423.340	3.820	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(C)CCOc2ccc(Br)cc2)c1O	774823201	QIOLAQGBCAVTNG-UHFFFAOYSA-N	411.252	3.582	10	20	HHCD	
O=C(NCC(F)(F)F)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1	775181750	WFUKXZZMDGFWOP-UHFFFAOYSA-N	411.399	3.567	10	20	HHCD	
COCc1nnc(-c2cccc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2)o1	776706149	PDYSXYWVOANVBG-UHFFFAOYSA-N	406.486	3.803	10	20	HHCD	
Cc1ccc(C(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c(O)c1O	780914385	ITQUJHYKPBETFM-KRWDZBQOSA-N	404.507	3.658	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(-n2cccc2)c1	783315497	FRAYUYOGCZHOBG-UHFFFAOYSA-N	404.514	3.919	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1	788939487	KIPLEPPZKMFRLC-TZIWHRDSSA-N	411.521	3.741	10	20	HHCD	
CN(C)c1ccc(CN[C@H](CN2CCOCC2)c2ccccc2)c(C(F)(F)F)c1	792892810	HBFTWNKRLAZZRY-OAQYLSRUSA-N	407.480	3.935	10	20	HHCD	
CN(C)c1ccc(CNc2ccc(C(=O)N3CCC(O)CC3)cc2)c(C(F)(F)F)c1	798080580	AOEUFVWNTOHWQS-UHFFFAOYSA-N	421.463	3.980	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)CC2)cc1	798400197	WOVSCLNPRNRGGO-WIQPIVSASA-N	415.578	3.635	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)c2ncccc12	801162979	KSPXLVUXHIPJGM-UHFFFAOYSA-N	413.880	3.918	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCC(=O)Nc1nnc(C(C)C)s1	801548814	RMEGODONNSFWFF-UHFFFAOYSA-N	404.536	3.915	10	20	HHCD	
CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N(C)C)cc1	806846788	XMTQPUIYHUJRNS-DEOSSOPVSA-N	422.573	3.952	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21	807101640	UREUMSAPLOSWGF-QHCPKHFHSA-N	405.542	3.746	10	20	HHCD	
CCC[C@@]1(CO)CCN(Cc2cc(Br)cc(Br)c2O)C1	809790189	BVHWEYYULNWUQW-OAHLLOKOSA-N	407.146	3.902	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(C(F)(F)F)ccc1Br	811689912	PFMMSCCOBZTYSJ-LCYFTJDESA-N	411.177	3.929	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCOC1	812396450	SSUPJGVLUCXQSU-QGZVFWFLSA-N	415.497	3.872	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(C(C)C)nc3C)CC2)cc(OC)c1OC	816100893	XYNQFUPPJZPPBK-UHFFFAOYSA-N	413.518	3.502	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccc(F)c(Cl)c1	917913596	OOLOUWMAEJXEMX-UHFFFAOYSA-N	400.928	3.511	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccccc2Br)C2CC2)cc1	918455202	HFAMGZUAWOMUCA-UHFFFAOYSA-N	416.319	3.645	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	918586964	UUAQKXHJXKXABW-INIZCTEOSA-N	408.951	3.644	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCOC2)c(C)n1-c1ccc(Br)cc1	921216132	PXQYOHUXZMJLNX-AWEZNQCLSA-N	406.276	3.619	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3F)C2=O)cn1	1320815076	USCQXYOIRZMTGJ-XNTDXEJSSA-N	421.494	3.848	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COc3cccc(CC(N)=O)c3)c2C)cc1	72048633	MXLNEKDVOLPMED-UHFFFAOYSA-N	406.482	3.782	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1	109109638	ZXSLTHBLEZSNKN-HXUWFJFHSA-N	401.938	3.684	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCOc2cc(N(C)C)ccc21	437024244	JPFVCMROAHSVPQ-GFCCVEGCSA-N	423.282	3.847	10	20	HHCD	
O=C(Nc1ccc(-c2nc([C@@H]3OCCc4ccccc43)no2)cc1)C1=S=CC=C1	544928405	VXTHLGSSGYVHRD-LJQANCHMSA-N	403.463	3.615	10	20	HHCD	
CCC1=S=C(C(=O)Nc2[nH]nc(-c3ccncc3)c2CC)C=C1Br	555834549	IFJILHJTYJRETE-UHFFFAOYSA-N	405.321	3.753	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1	729534668	APFJGKSATIOWLW-JTQLQIEISA-N	414.336	3.741	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c1	729574147	MZKQIRRAMHHUSD-JTQLQIEISA-N	417.359	3.958	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)COc3ccc(N4CCCC4=O)cc3)cc2)CC1	731015317	NAYZGWRXPCXZJV-UHFFFAOYSA-N	421.541	3.745	10	20	HHCD	
COc1ccc(OC)c(CCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731049746	MZPXFOWIBSMKQW-UHFFFAOYSA-N	411.546	3.982	10	20	HHCD	
CCOC(=O)CC1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	731120906	HPNJHOWVLDPAKY-UHFFFAOYSA-N	401.551	3.798	10	20	HHCD	
Cc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C(=O)NC(C)C	731281223	ARDZZCJEKWSXCG-GOSISDBHSA-N	424.545	3.853	10	20	HHCD	
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731403959	CBHDPFONMMLGGT-IEBWSBKVSA-N	420.573	3.898	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)c1	734074899	XTCAEJKQWVLMEF-UHFFFAOYSA-N	410.401	3.587	10	20	HHCD	
CCOCCCN1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@H](C)C1	734682928	DXDFRPFAIUZKKE-XXBNENTESA-N	416.610	3.564	10	20	HHCD	
CCCC(O)(CCC)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	738975501	LHXUVKAMMWHBLX-IAGOWNOFSA-N	409.546	3.570	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1(N(C)C)Cc2ccccc2C1	745842854	QFWOWZUZYVHYCT-UHFFFAOYSA-N	420.601	3.918	10	20	HHCD	
Cc1cc(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)c(Cl)c1	746137006	CVDQWFMCNRVQLN-UHFFFAOYSA-N	403.797	3.839	10	20	HHCD	
Cc1nc(-c2ccc(C(=O)Nc3cccc(N4CCN(CC5CC5)CC4)c3)cc2)n[nH]1	746163287	QQSGGAUHUSSTBY-UHFFFAOYSA-N	416.529	3.564	10	20	HHCD	
Cc1ccc2c(CCNC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c[nH]c2c1	749713729	ZYNFPQDDAXOZJV-GOSISDBHSA-N	406.530	3.916	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1CCC(C)C	750537554	ZESJORYZBIHBEC-LJQANCHMSA-N	418.969	3.991	10	20	HHCD	
C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCCCSc1nccs1	752687387	JTNLJKSOIJDTPY-ZIAGYGMSSA-N	414.597	3.570	10	20	HHCD	
Cc1nc(CC(C)C)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	755418327	BXWPUMVQEXHPQK-UHFFFAOYSA-N	405.539	3.680	10	20	HHCD	
Cc1cc(C(=O)O[C@H]2CCN(c3c(F)cccc3F)C2=O)c(C)n1-c1ccccn1	756374503	SVYYVHMHNVDZNL-SFHVURJKSA-N	411.408	3.730	10	20	HHCD	
C[C@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1ccc(Br)cc1O	756550820	SQDYDPPKOPEHHL-HNNXBMFYSA-N	419.363	3.962	10	20	HHCD	
CCCOc1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1	759886606	NHZIJUGZMKPWBA-UHFFFAOYSA-N	400.519	3.823	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3oc4ccc(F)cc4c3C)CC2)cc1	760561171	LDJDUXWRTCTLDP-UHFFFAOYSA-N	418.490	3.836	10	20	HHCD	
CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2cc(Cl)cc(OC)c2O)c1	761202400	VTQMCHKMCRFULI-ZDUSSCGKSA-N	412.939	3.884	10	20	HHCD	
COc1ccnc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1	762222529	MDXNJCSLOFWBHZ-SDNWHVSQSA-N	419.553	3.772	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C[S@](=O)[C@H](C)c3cccc(Cl)c3)CC2)cc1	764474740	NWOPBTWAJATQOS-HJWYETAXSA-N	420.962	3.507	10	20	HHCD	
Cc1c([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1ccc(F)cc1	765332349	WPYGXTDBSBFLCM-SJORKVTESA-N	409.509	3.963	10	20	HHCD	
C[C@H]1CN(c2ccc(CNCc3cncc(Br)c3)cc2F)C[C@@H](C)O1	767173018	VRMRSPROAQMZDB-OKILXGFUSA-N	408.315	3.887	10	20	HHCD	
CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1	767935710	JRSGYCCNGLZTFB-UHFFFAOYSA-N	423.561	3.999	10	20	HHCD	
CCCCCn1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1	768119789	VWRDDBWQXCPGNL-OAQYLSRUSA-N	414.550	3.978	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(N(C)C)cc1	773001624	VPMDGQUEJVUIFA-MRXNPFEDSA-N	400.544	3.960	10	20	HHCD	
CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1	775205533	LEOLTSDRPRMOMV-SFHVURJKSA-N	409.530	3.970	10	20	HHCD	
COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	778456252	NOHCYQUIPRBUKD-IEBWSBKVSA-N	404.894	3.540	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccc(N4CCOC4=O)cc3)cc2)CC1	783003456	OWMNKVHPZOXSCK-UHFFFAOYSA-N	422.529	3.879	10	20	HHCD	
Cc1cn2cc(NC(=O)C(=O)N(c3ccc(N)cc3)[C@H](C)c3ccccc3)ccc2n1	783482461	HQRNEBSCQQLPSF-QGZVFWFLSA-N	413.481	3.958	10	20	HHCD	
O=C1Nc2c(Br)cccc2/C1=C/c1ccc(N2CCOCC2)c(F)c1	783714382	HOPWUGYJRYSCQS-UVTDQMKNSA-N	403.251	3.918	10	20	HHCD	
CC(=O)Nc1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C	785533241	TYEMRFODHWVJRW-GJZGRUSLSA-N	413.493	3.636	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1nc(Br)ccc1Br	790773224	UMMHWONCRONLGJ-UHFFFAOYSA-N	400.070	3.584	10	20	HHCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)c1nc(-c2ccc(Br)cc2)no1	792178929	FMZFUPKZAHLCBH-SNVBAGLBSA-N	418.247	3.784	10	20	HHCD	
CN(C)c1ccc(CN2CCn3c(Cc4ccccc4)nnc3C2)c(C(F)(F)F)c1	792829428	OPNNWOOGWFZHLJ-UHFFFAOYSA-N	415.463	3.970	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc2c3cccnc3nn2c1C	797194521	UUBCBDSPWLHRLH-UHFFFAOYSA-N	417.513	3.971	10	20	HHCD	
CC(C)[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1	797943320	PPTUYEHVFWCQPD-CTNGQTDRSA-N	401.938	3.961	10	20	HHCD	
CCc1ccnc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	798108509	ADGYQQKXQHZDGU-INIZCTEOSA-N	404.461	3.714	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCC(F)(F)C3)cc2F)CC1	799989936	BFADEBRWJUHLOI-QGZVFWFLSA-N	412.500	3.592	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(N2CCOCC2)cc1	806541229	HMZOGMVBYJPXDR-SFYKDHMMSA-N	410.562	3.575	10	20	HHCD	
CC[C@H](C)N[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccco1	807442895	RHVAIQHNPURQGE-YSIASYRMSA-N	415.534	3.805	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1	807573716	COWKWRMPZPHPRZ-MRXNPFEDSA-N	415.456	3.647	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)Oc1ccc(F)cc1	807931734	WOPIQWBLBQSQKR-INIZCTEOSA-N	416.493	3.982	10	20	HHCD	
COc1ccc(O)c(CNc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1	809684226	SYTFELQTIFRCGF-UHFFFAOYSA-N	404.532	3.966	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	813719970	QIPMRYOGSMNJGW-ILZDJORESA-N	416.566	3.855	10	20	HHCD	
O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccccc1O)C1CCCCC1	819427411	MDCDUHTVQOZBHW-UHFFFAOYSA-N	403.500	3.687	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)n2)c(C)c1	906470645	BOTQUPVVGROIJN-UHFFFAOYSA-N	415.496	3.673	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1Br	916667268	NCQCRIBNXWDGMD-UHFFFAOYSA-N	422.298	3.871	10	20	HHCD	
Cc1cc(C)cc(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	917406137	GJNJZLWJQWDPDC-KDURUIRLSA-N	413.537	3.809	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	918311626	ZKSJYWKMHRAVQL-UHFFFAOYSA-N	418.881	3.692	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cc(C(C)(C)C)nn3C)cc2F)C[C@@H](C)O1	1115856497	WYRPMDSBFQPUTN-GASCZTMLSA-N	417.529	3.792	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc([S@@](C)=O)cc1	1318963979	KXGCFCXFUGAGMU-XMMPIXPASA-N	411.321	3.946	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](C)OC(C)C)C3)cc1	1845398838	JKEDRPHLUWIBPC-FQEVSTJZSA-N	423.557	3.725	10	20	HHCD	
C[C@H]1Oc2ccccc2N(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1=O	10963424	MHSPUGXJLCYOIR-LJQANCHMSA-N	421.541	3.840	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(c2ccccc2)CCCC1	303010279	WTPJJHPTPVLDSJ-UHFFFAOYSA-N	411.521	3.974	10	20	HHCD	
Cc1c(Br)cccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	303907501	MFEABQLPOQZVSA-UHFFFAOYSA-N	403.320	3.866	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ccnc(-c3ccccc3)n2)CC1	480847547	QKRXLSMCFKDFOH-UHFFFAOYSA-N	410.477	3.966	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)COC(=O)C(C)(C)O)c2C)ccc1Br	725932023	CWZHGUSWWNHZQR-UHFFFAOYSA-N	408.292	3.662	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1F	726249829	LUPYNLTWOXXQHH-UHFFFAOYSA-N	421.476	3.538	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3nn(-c4ccccc4)cc3C)CC2)cc1	730386691	XCJNMXYGWZYGJX-UHFFFAOYSA-N	405.502	3.934	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(F)c3)cc2)CC1	731132214	UVCUIOOOLKFCIX-UHFFFAOYSA-N	403.885	3.970	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1C	735582061	DRPASADMMRJKOH-OAQYLSRUSA-N	424.545	3.691	10	20	HHCD	
O=C(c1csc(Nc2ccccn2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1	736673024	DEIHGTYRVWGHKW-MRXNPFEDSA-N	410.499	3.809	10	20	HHCD	
CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)NCc3ccccc3O)cc2)c1	738956426	XIVGXDZVYUGBKB-UHFFFAOYSA-N	412.467	3.910	10	20	HHCD	
CC(C)(CC(=O)NCc1ccc(N2CCSCC2)cc1)NC(=O)OC(C)(C)C	739699849	MRXKLUYJUOCAQM-UHFFFAOYSA-N	407.580	3.549	10	20	HHCD	
CS(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc([N+](=O)[O-])c1	740800485	DUWGXUCEWHJLTO-UHFFFAOYSA-N	417.487	3.631	10	20	HHCD	
COc1cccc(O[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	745880765	ALDZDOZKXBQYFY-UWJYYQICSA-N	414.502	3.559	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNS(=O)(=O)/C=C/c3ccc(F)cc3)cc2F)C[C@@H](C)O1	747248232	LTXGOMQEUIYVAS-UETGSQEOSA-N	422.497	3.669	10	20	HHCD	
OCC1CCN(c2ccc(CNc3nc(-c4cccnc4)nc4c3CCC4)cc2)CC1	747821555	HKUZXBFCKMZLCJ-UHFFFAOYSA-N	415.541	3.848	10	20	HHCD	
CC1CCC(NS(=O)(=O)c2ccc(NCc3ccccc3O)c([N+](=O)[O-])c2)CC1	748307817	NVHGUXSSZZRBGS-UHFFFAOYSA-N	419.503	3.770	10	20	HHCD	
CN1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2ccccc21	750794137	ISEFLWUVMSZWED-QUCCMNQESA-N	413.949	3.750	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1	750861803	IFKFRDFTCRXZSZ-UHFFFAOYSA-N	404.532	3.521	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@](C)(CO)C3CCCCC3)cc2F)C[C@@H](C)O1	755910852	NJQWMPGINJGNOU-SAHWJRBASA-N	421.557	3.570	10	20	HHCD	
CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N(C)C	756432611	JSZLXMKLEZCXSM-KDOFPFPSSA-N	401.463	3.569	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H](C)c2cc(F)ccc2O)s1	756532731	GRHIKXGPJPHZBS-ZDUSSCGKSA-N	400.541	3.517	10	20	HHCD	
COc1cc(N2CCN(Cn3c(=S)oc4ccccc43)CC2)cc(OC)c1OC	758965786	VJPGGKDHMXULSY-UHFFFAOYSA-N	415.515	3.769	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)cc(OC)c1OC	759224119	ZKWKZACURKVOBI-UHFFFAOYSA-N	421.497	3.531	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cc1F	759503425	HOWBFHSOOKWWFP-UHFFFAOYSA-N	413.493	3.640	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCCCSc2nccs2)C1	759581348	UABLLWYGPWWZBV-AWEZNQCLSA-N	414.597	3.572	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)NCCCSc3nccs3)n2)c1	759585191	PWDWHJVHXXGSSV-GFCCVEGCSA-N	419.532	3.744	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)NCC1(c2ccccc2)CCCCC1	759597393	RUTHOLMUHPUYSI-ZRDIBKRKSA-N	409.482	3.673	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3nnc(-c4ccccc4)s3)CC2)cc1	760165984	NJRNCQCDDYTMIQ-UHFFFAOYSA-N	423.542	3.682	10	20	HHCD	
CC(C)n1cc2c(n1)[C@H](NC(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CCC2	765242255	PPRBLPXZLYQOLB-DYESRHJHSA-N	411.550	3.738	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCCO2	765286970	MLZAYXVASDNPTL-FQEVSTJZSA-N	400.494	3.799	10	20	HHCD	
O=C(CCCOc1ccc2c(c1)CCC2)NCc1ccc(N2CCC(CO)CC2)cc1	765595590	NFHNSHVRVLGEPL-UHFFFAOYSA-N	422.569	3.859	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	765730431	BBGZQIXFHZMAFF-UHFFFAOYSA-N	406.236	3.567	10	20	HHCD	
CCOc1cc(C(=O)NCc2cccc(Br)c2O)cc(Cl)c1O	765751942	BBFKHFMCPKPTQR-UHFFFAOYSA-N	400.656	3.842	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	765884518	PGIRMHZBYSQQNT-QHCPKHFHSA-N	416.566	3.604	10	20	HHCD	
O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1	766891640	IIYWMFNOQSXMEH-UHFFFAOYSA-N	401.271	3.627	10	20	HHCD	
C[C@H]1CCC[C@@H](N(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1	769674558	QTJMVJLEALARSC-DZGCQCFKSA-N	408.545	3.905	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1	770256959	BZVIQSSSRJNHEZ-QGZVFWFLSA-N	423.479	3.601	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc4nnc(C(C)(C)C)n4n3)cc2F)C[C@@H](C)O1	772648880	GKDWRRVJVNXCQP-GASCZTMLSA-N	412.513	3.787	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC(c2cn[nH]c2)CC1	775431164	SAGFVUJDZMKQJL-UHFFFAOYSA-N	419.476	3.569	10	20	HHCD	
CC[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1O	775509751	VBJHAXWWUSTYII-SFHVURJKSA-N	408.589	3.912	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@@H](CN2CCCC2)C1	775713069	GCMOOSDYAZYDKA-LBPRGKRZSA-N	418.173	3.835	10	20	HHCD	
COC(=O)C[C@](C)(NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccn1	777345443	GTNUNGUTTBGGCX-QHCPKHFHSA-N	409.461	3.837	10	20	HHCD	
O=C(C1CC1)N1CCN(c2ccc(NCc3ccc(N4CCCCC4)cc3)cn2)CC1	777516521	MALVWKFSZNLIOV-UHFFFAOYSA-N	419.573	3.743	10	20	HHCD	
O=C1N[C@H](C2CCCCC2)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1	777626839	LYUCUFRDRNPFIH-GOSISDBHSA-N	407.461	3.758	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H]1C1CCOCC1	777741007	KESTXDWVHGKZHC-XLIONFOSSA-N	423.504	3.857	10	20	HHCD	
CC(C)(C)OC(=O)c1cccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	778076907	IIOJPJCHGIKIQJ-NRFANRHFSA-N	423.557	3.633	10	20	HHCD	
COc1cc(O)c(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	779144611	AJKJWLZMTITSPA-HNNXBMFYSA-N	411.285	3.611	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NC(C)(C)CC(F)(F)F)cc2F)C[C@@H](C)O1	780313784	YNCUOXCBWTUNFW-CHWSQXEVSA-N	405.436	3.970	10	20	HHCD	
Cc1ccc(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)c(O)c1O	780950856	OLEQQKUMVVADMY-CQSZACIVSA-N	419.319	3.688	10	20	HHCD	
COc1cccc(C(=O)c2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)c1	781004592	GYVDWMPESODBTC-OAHLLOKOSA-N	405.450	3.698	10	20	HHCD	
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2	783945392	HGCLJVYVHBVHIC-UHFFFAOYSA-N	418.544	3.973	10	20	HHCD	
CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)c1ccc(O)c(O)c1	784103176	JLJAJIMXGGEDDE-UHFFFAOYSA-N	407.422	3.885	10	20	HHCD	
COc1cc(OC)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1F	784106772	NITGZXNFOVORDQ-UHFFFAOYSA-N	415.465	3.587	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc2cc(OC)ccc2c1	785881509	SRGSVYQATUBRCV-UHFFFAOYSA-N	406.482	3.609	10	20	HHCD	
CC1(C)C[C@H](NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2cc([N+](=O)[O-])ccc21	788581108	SFDKYGFRVIFAJC-JTSKRJEESA-N	422.529	3.809	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c(O)c1	794373291	IZGHYHAKOZEPEE-UHFFFAOYSA-N	405.882	3.904	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1	801618325	SVXLLXKQUIAEDD-UHFFFAOYSA-N	411.502	3.699	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1	801862421	QXULORVDZZKHPJ-YLJYHZDGSA-N	409.534	3.613	10	20	HHCD	
O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc(Cl)c1Cl	807386001	ZZADKBTYFGGZFV-UHFFFAOYSA-N	418.074	3.716	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)c(C)n1-c1ccccn1	807818274	HZOVBSYOIWXYLM-UHFFFAOYSA-N	407.449	3.800	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCO4)n2)cc1[N+](=O)[O-]	809723516	JINGLJTUGZMZNT-UHFFFAOYSA-N	417.468	3.762	10	20	HHCD	
COc1ccc2c(c1)CCCCN2Cc1cc(Cl)c(OCC(N)=O)c(OC)c1	811508559	WROMGQFIZSEZIM-UHFFFAOYSA-N	404.894	3.564	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccc(C(=O)N(C)C)cc3)cc2F)C[C@@H](C)O1	813856009	WHECAEWDJYSUNV-KZNAEPCWSA-N	413.537	3.992	10	20	HHCD	
COC(=O)CCC[C@H]1CCC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1	815121251	YJDPTFJRQHUKOJ-DENIHFKCSA-N	402.579	3.887	10	20	HHCD	
O=C(CCNCc1ccc(N2CCOCC2)cc1)Nc1cc(Cl)cc(Cl)c1	816659570	SRVWZVYCVDVGGR-UHFFFAOYSA-N	408.329	3.948	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(-n4nnnc4C)c3)c2C)cc1	915200632	LSBNUYKLYXCJKZ-UHFFFAOYSA-N	402.458	3.639	10	20	HHCD	
COC(=O)c1cccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	916681491	HVWBIIJTKDOKQQ-HUUCEWRRSA-N	415.465	3.548	10	20	HHCD	
CO[C@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1	918203023	UKVGDYYIYQEUEV-DRSNIGMVSA-N	415.509	3.626	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(C)n(Cc4ccccn4)c3C)CC2)cc1	918664223	RMFHNPFFKXYMSL-UHFFFAOYSA-N	418.541	3.909	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(Cc3cccc(C)c3)Cc3ccco3)nc12	918740514	KOVNRNFJAUBIID-UHFFFAOYSA-N	420.469	3.715	10	20	HHCD	
O=C(COc1ccccc1C(F)(F)F)NCc1ccc(N2CCC(CO)CC2)cc1	919969351	VYBSHDVREJSKIF-UHFFFAOYSA-N	422.447	3.609	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(Br)c(C=O)n2C)cc1	1252384127	QPNGCSOBSPITGL-UHFFFAOYSA-N	406.324	3.719	10	20	HHCD	
COc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccc(C(C)C)cc2)cc1	1324254214	AGYQUFIUUIADOM-UHFFFAOYSA-N	423.557	3.549	10	20	HHCD	
COCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccccc1O	1327610425	QTVUTLGRDIYYCZ-UHFFFAOYSA-N	417.307	3.696	10	20	HHCD	
O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CCC2)[nH]n1)c1cc(O)c(O)c(Cl)c1	1821290830	JOVAKIYDZFQRLN-OAHLLOKOSA-N	418.881	3.580	10	20	HHCD	
Cc1oc(-c2ccccc2)nc1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	45843404	FTCJLYVLHNNHMQ-UHFFFAOYSA-N	405.498	3.688	10	20	HHCD	
COc1ccc(N2CCC(Nc3ncnc4c3cnn4-c3ccccc3)CC2)cc1	301182236	NMIBQQYFHIXALF-UHFFFAOYSA-N	400.486	3.905	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1nn(-c2ccccc2F)c2c1CCC2	437009958	NGZZMOQUMKHOQD-UHFFFAOYSA-N	406.461	3.605	10	20	HHCD	
COCCS(=O)(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	725824583	XWPBIWJKLBCBKQ-KRWDZBQOSA-N	416.465	3.748	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3cccc(C(F)F)c3)CC2)cc1	726080936	URLDZCAOTYSKRI-UHFFFAOYSA-N	404.461	3.577	10	20	HHCD	
COc1cccc2c1OCC[C@H]2NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	726273713	INWSPTHPDYXDGS-IEBWSBKVSA-N	412.486	3.615	10	20	HHCD	
CC(C)N(CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C	727148500	LJWJKCXCEOODCS-SFHVURJKSA-N	419.566	3.736	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1	727466860	GGCPMIZMRRIWDV-SCTDSRPQSA-N	421.557	3.928	10	20	HHCD	
Fc1cc(CNCc2cccc3[nH]ccc23)ccc1N1CCN(c2ncccn2)CC1	727467945	BRAZYYIAKDFCEA-UHFFFAOYSA-N	416.504	3.713	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1	728979890	PUUHPKDSKHYZDT-OAHLLOKOSA-N	402.454	3.685	10	20	HHCD	
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731364844	PKNFRBFNQGRXLF-PKOBYXMFSA-N	420.573	3.898	10	20	HHCD	
COc1cccc([C@H](O)C(=O)OCC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	732344878	DEIPXXMNESFEGY-QHCPKHFHSA-N	407.466	3.871	10	20	HHCD	
Cn1ccnc1C(=O)c1ccc(NCCCSc2nccs2)c([N+](=O)[O-])c1	733895361	AFFCVBGRHGJDGF-UHFFFAOYSA-N	403.489	3.610	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N(C)C)cc2C)c([N+](=O)[O-])cc1OC(F)F	734403220	YRWHVMMTKLWORR-UHFFFAOYSA-N	409.389	3.509	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1	734861457	MEIUFFUTLRWTNG-GZRFBZBPSA-N	401.457	3.718	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCCn3ccccc3=O)c2C)cc1	735146274	VPCIHDZZFKAADH-UHFFFAOYSA-N	406.482	3.771	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cnc(Cl)c(C)c3)n2)cc1	735407037	JTYOTDKNISXUCL-UHFFFAOYSA-N	423.903	3.754	10	20	HHCD	
CCc1nc2cc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc2o1	737116379	DDAAPTMNOWIZDY-UHFFFAOYSA-N	420.513	3.978	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cc1c[nH]c2ccc(Cl)cc12	740292453	ALVDUWFNPUJRMM-UHFFFAOYSA-N	413.905	3.632	10	20	HHCD	
CS(=O)(=O)Nc1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)ccc1F	740848641	XTTGLUXXTCJLIS-UHFFFAOYSA-N	405.495	3.830	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnn(-c2ccccc2F)c1	742279017	PJPRNZBPLMHJKN-UHFFFAOYSA-N	416.522	3.677	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(F)cc1OC(F)F	743215055	RSOFPDUNLHJSFL-UHFFFAOYSA-N	423.435	3.958	10	20	HHCD	
CS[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	743554309	ATTFEVWWRFNUFS-GOEBONIOSA-N	417.497	3.625	10	20	HHCD	
O=C(NCCc1nnc2n1CCCCC2)N(Cc1ccccc1O)C1CCCCC1	745412077	CLAVFPYHLRVTFU-UHFFFAOYSA-N	411.550	3.797	10	20	HHCD	
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCc3ccc(N4CCCC4)cc3)ccc2NC1=O	745929098	BBFWVYDIAPJCKO-IERDGZPVSA-N	422.529	3.957	10	20	HHCD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	747831655	XGXQKLZJKWFXMN-UZUQRXQVSA-N	419.566	3.641	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@@H](c1ccccc1)N1CCOCC1	749126062	LHZRBDQNWRTYIB-YKSBVNFPSA-N	411.615	3.791	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC2(CCCC2)c2c(F)cccc21	750349726	LGPQSLDCMQWMQW-UHFFFAOYSA-N	409.505	3.709	10	20	HHCD	
Cc1cccc([C@H]2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)C2)c1	753109046	OXIBPEXXTNMRAO-FQEVSTJZSA-N	411.521	3.794	10	20	HHCD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	754547776	JSHPNIICYCLRJB-ZDUSSCGKSA-N	401.466	3.630	10	20	HHCD	
CC(=O)N1CC[C@H](CN(C)CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1	755041629	JMEQYOKHKGCZDS-QGZVFWFLSA-N	419.928	3.870	10	20	HHCD	
C[C@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(Cl)c(Cl)c1O	756707063	KLCPZVZDYWBUIV-VIFPVBQESA-N	417.305	3.614	10	20	HHCD	
Cc1coc(-c2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2)n1	759028893	VOATVLNNIRXAID-UHFFFAOYSA-N	418.497	3.846	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccccc3C(C)(C)C)CC2)cc(OC)c1OC	759221235	QNUNPEHBMDGROB-UHFFFAOYSA-N	412.530	3.972	10	20	HHCD	
C[C@H](O)C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1	759564773	QQCHXUSXQDTPKT-RXVVDRJESA-N	413.587	3.594	10	20	HHCD	
O=C(NCCCSc1nccs1)NCc1nc(-c2ccc(Cl)cc2)no1	759578983	HOATVIRNCMOTII-UHFFFAOYSA-N	409.924	3.828	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCOc2c(Cl)cccc21	761146765	FFEQOGAMDIEZKU-OAHLLOKOSA-N	407.253	3.987	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3cc(F)c(F)cc3F)cc2F)C[C@@H](C)O1	767883108	GMSJCYWHCSBDCY-CHWSQXEVSA-N	410.411	3.716	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(I)cc(C)c2C)c1	768056776	YRLYBESYZILXSB-UHFFFAOYSA-N	411.239	3.552	10	20	HHCD	
Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cc(Br)ccc3O)C2)nc1	768539978	YRQPESORUBANTG-CQSZACIVSA-N	404.308	3.709	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2C[C@@H](O)[C@H](C)C2)sc(C)c1-c1ccccc1	768770998	SEENDZAXOWUTKT-RHSMWYFYSA-N	416.543	3.541	10	20	HHCD	
Cc1cc(C(=O)NCCNC(=O)c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1	768899156	GOPWEJBYAJBJKF-UHFFFAOYSA-N	411.889	3.613	10	20	HHCD	
CC(=O)N1CCc2c(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cccc21	769249005	ZJGSEGPHAAARDP-GOSISDBHSA-N	409.486	3.514	10	20	HHCD	
Oc1ccccc1CN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1	770509552	OCUWGNPETBSGDI-UHFFFAOYSA-N	409.490	3.625	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2nc(CN3CCCCC3)no2)c1	773472251	NCBGYCXYBAMTKF-UHFFFAOYSA-N	407.518	3.701	10	20	HHCD	
C[C@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(N(C)C)cc1	775833575	DXMQSXGARHSQIS-AVRDEDQJSA-N	423.557	3.928	10	20	HHCD	
COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1CCCC1	776103156	PORORYQHHCVZJQ-PGRDOPGGSA-N	410.562	3.959	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cccc4ccsc34)CC2)cc1	778393802	MGVDWASHUDVFJU-KTKRTIGZSA-N	421.522	3.753	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H](OCC4CC4)C3)cc2F)C[C@@H](C)O1	779531100	WQGQIMUPEFSXJV-HLIPFELVSA-N	419.541	3.540	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)c(Br)c1	784025115	YXQYJLYHYAYYBR-UHFFFAOYSA-N	409.255	3.671	10	20	HHCD	
COc1ccccc1[C@@H](CO)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	784946328	PTHLBSGHDHLMLO-HXUWFJFHSA-N	418.453	3.899	10	20	HHCD	
Cc1coc(C)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	786240111	QHLCLJJMJYHJTP-GOSISDBHSA-N	401.507	3.958	10	20	HHCD	
CCOc1ccccc1CNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	786686399	BYUVNDDYAYJSIH-UHFFFAOYSA-N	423.557	3.787	10	20	HHCD	
COc1cccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	786765482	CVTKSZWLSQLVSD-SFHVURJKSA-N	409.530	3.521	10	20	HHCD	
COCCOc1ccc(F)cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1	786849634	FSYVGUZRZLJBRJ-UHFFFAOYSA-N	423.506	3.690	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2cc(C)sc2C)cc1F	787851391	ZFJUPWLAXFZAJV-CQSZACIVSA-N	405.539	3.844	10	20	HHCD	
CN(C)C(=O)Nc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	793495169	GLWSGSPEACQFAT-UHFFFAOYSA-N	422.485	3.991	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC(F)(F)C2)NC(=O)OC(C)(C)C)cc1	795136456	INBPYXVFGIGBHP-RDJZCZTQSA-N	411.493	3.870	10	20	HHCD	
Cc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)S(C)(=O)=O)cc1	798074305	XJWCBRVDHDISHS-LLGFUMIMSA-N	417.575	3.596	10	20	HHCD	
COC(=O)c1cc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)ccn1	800571326	ILTDCLNHLGGWST-CQSZACIVSA-N	401.894	3.688	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cnn(C)c4)s3)SC2=S)cn1	800793868	WVAAFXXOWJFHGZ-VIZOYTHASA-N	414.537	3.958	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3ccc(C)cc3-c3cnn(C)c3)cc2F)CC1	801722707	NDSKMHUIVTYSLO-UHFFFAOYSA-N	421.564	3.966	10	20	HHCD	
CCOc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2ncccc12	804250257	AZAWIVDNIQYZGI-UHFFFAOYSA-N	411.845	3.961	10	20	HHCD	
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C	807407423	OKTAYYSFYFCJEW-HYBUGGRVSA-N	424.589	3.664	10	20	HHCD	
C[C@H](N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	815653032	CAKIAGVVNNCWDQ-CKFHNAJUSA-N	401.438	3.842	10	20	HHCD	
CCOc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	916456702	OFDWFIRRPNDHGU-UHFFFAOYSA-N	422.447	3.800	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1	916672604	GWCTWEKOTMQHLT-UHFFFAOYSA-N	410.518	3.990	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1OC(F)F	917364953	SYLZAUFJHMIPQY-INIZCTEOSA-N	407.413	3.824	10	20	HHCD	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c(F)c1	917846035	JQLVFNNOTUPDCB-UHFFFAOYSA-N	415.374	3.936	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)c1ccc(Cl)cc1	1115887663	GFRAJSYJIHSYJS-UHFFFAOYSA-N	412.839	3.848	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3nc4c(s3)C[C@@H](C)CC4)CC2)cc1	1319827521	SNIMJFQJFMRUFI-SFHVURJKSA-N	414.619	3.578	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)C1CCN(C(=O)c2ccc(F)cc2F)CC1	1320947187	RUSVUTITQZOPNR-UHFFFAOYSA-N	420.803	3.645	10	20	HHCD	
CCn1nc(-c2nnc(-c3cc(C)n(-c4ccccn4)c3C)o2)c2ccccc2c1=O	1322200059	LWMLYLAJUSXFGM-UHFFFAOYSA-N	412.453	3.936	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3coc(-c4ccccc4)n3)cc2F)C[C@@H](C)O1	1337686833	ITKHBROKXXDDLT-CALCHBBNSA-N	423.488	3.953	10	20	HHCD	
CCOC(=O)c1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)s1	1351249836	ZPFOWQXIKJYPGW-UHFFFAOYSA-N	413.499	3.821	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1-c1cccc(F)c1	8760999	XMSWPRJXJZFJKG-UHFFFAOYSA-N	421.384	3.620	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)NC(=O)c1ccc(OC(F)F)cc1	22267988	RUBMHNRBJCGJAC-UHFFFAOYSA-N	417.437	3.737	10	20	HHCD	
CC(=O)Nc1ccc(NC(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)cc1	29922868	PALVZCZDSIRZHZ-UHFFFAOYSA-N	407.392	3.935	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCC3CCN(Cc4cccs4)CC3)ccc21	61020920	UMNHWJRUCVDHKK-UHFFFAOYSA-N	412.603	3.842	10	20	HHCD	
C[C@@H](NC(=O)NC1CCN(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	140928438	DCDFMYGSVXTXIZ-LJQANCHMSA-N	408.546	3.552	10	20	HHCD	
Cc1nc2cc(F)cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2nc1C	145724943	ZDSQUNJXLRNHTA-MRXNPFEDSA-N	408.477	3.713	10	20	HHCD	
Cc1cc2nc(C)c(CCC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c(C)n2n1	247944859	HQXKYKCLSVTISG-FQEVSTJZSA-N	422.529	3.501	10	20	HHCD	
Cn1ccnc1C(=O)c1ccc(NCc2c(O)ccc3c2CCCC3)c([N+](=O)[O-])c1	301441323	ISUOZOFDEYQXSN-UHFFFAOYSA-N	406.442	3.756	10	20	HHCD	
Cc1nc2sccn2c1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1	445637890	PFMMYOOVXDNRFE-UHFFFAOYSA-N	407.480	3.637	10	20	HHCD	
O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1ccc(C2=S=CC=C2)o1	543045480	BZROBZLFJZANKI-UHFFFAOYSA-N	405.479	3.542	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)CCOc3ccccc3F)CC2)cc1	726716158	CDAYUHPKTPENHZ-UHFFFAOYSA-N	401.482	3.524	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H](Cc3ccccc3)C2)c1	729985327	LGMZJVNCSNCJPU-JOCHJYFZSA-N	422.569	3.882	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C	730909863	QSDLVOGRZHFFKQ-LJQANCHMSA-N	404.555	3.684	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc(NS(C)(=O)=O)cc3)cc2)CC1	731121275	PPHAKEJXAPJEJW-UHFFFAOYSA-N	416.547	3.616	10	20	HHCD	
COc1cccc([C@H](O)C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c1	731912865	TWIMPJAFQPFZNR-QHCPKHFHSA-N	407.466	3.871	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)COC[C@H]3CCCO3)c2C)c1	733595841	IZXJTXCKAVWXMW-GOSISDBHSA-N	417.527	3.738	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCCN(c2ccccc2)C1	734526840	VTBGOICVSXKWGE-FQEVSTJZSA-N	410.587	3.708	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)c2C)c1	742201939	YDGRJOGMAVWNLL-UHFFFAOYSA-N	421.463	3.933	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C	742297852	FSUXBVIDUFQRTI-UHFFFAOYSA-N	418.950	3.687	10	20	HHCD	
COc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc1[N+](=O)[O-]	742799205	INWHOEBMXKYQPA-CQSZACIVSA-N	421.400	3.604	10	20	HHCD	
O=C(CCOc1ccc(F)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800373	JNCKVFPZAJUHIH-MRXNPFEDSA-N	408.420	3.981	10	20	HHCD	
C[C@H](c1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1)N1CCOCC1	743150854	VEYLZJWSBORATR-QGZVFWFLSA-N	409.530	3.986	10	20	HHCD	
O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N(Cc1ccco1)Cc1ccccc1O	743429939	BYSOVRDQOMQXBW-QGZVFWFLSA-N	408.429	3.706	10	20	HHCD	
O=C(NC1CC1)[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	743485506	PKIYFHQWDKFHQU-GHTZIAJQSA-N	415.484	3.866	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)Oc2ccccc2OC)cc1F	743598102	IBNJTWZQDHRWNG-MRXNPFEDSA-N	403.498	3.947	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cn(-c2ccccc2C(F)(F)F)nn1	743717465	NCEZCPABBGFRHB-UHFFFAOYSA-N	416.403	3.801	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2ccccc2oc1=O	743808100	QBXHDMDLKCCXOW-UHFFFAOYSA-N	402.244	3.923	10	20	HHCD	
O=C(Nc1cnn(CC(F)F)c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746032040	MVDNENJWAWQXQV-LBPRGKRZSA-N	415.391	3.540	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3nc(-c4cccs4)cs3)ccc21	746792934	JQLPYJVBSXXMQE-UHFFFAOYSA-N	412.540	3.509	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN(C3CC3)[C@H]3CCS(=O)(=O)C3)c2C)c1	749840906	SDKYRLMQJNPHFX-FQEVSTJZSA-N	414.571	3.545	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCc3c[nH]nc3C2)sc(C)c1-c1ccccc1	750720065	LYBZPMLFTFYIPY-UHFFFAOYSA-N	424.526	3.620	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)Nc1ccc(N(C)C)cc1	751931506	QTMNSGFGKUFTLB-AWEZNQCLSA-N	424.526	3.566	10	20	HHCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	752237192	CCMMVPLDHCFPIM-PDGQHHTCSA-N	411.439	3.690	10	20	HHCD	
CN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc(-c5ccco5)cs4)ccc1c23	753689913	AHJJTBSBAUGHRM-UHFFFAOYSA-N	411.464	3.947	10	20	HHCD	
CC(C)CCn1ncc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1C(C)C	753837146	IDLCGKUCOKVEPI-UHFFFAOYSA-N	423.561	3.684	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc2ccccc2c1O	756457507	RAMYPDVUPXPIOQ-MAUKXSAKSA-N	406.482	3.521	10	20	HHCD	
C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCOCC2)cc1	756933267	NGOISGGMRUHNCF-CQSZACIVSA-N	418.881	3.645	10	20	HHCD	
CC(=O)[C@@H]1C[C@H](CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1(C)C	758793853	HSEVVIZCUOOCFW-SAKMYQHLSA-N	404.526	3.697	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c(O[C@@H]2CCOC2)c1	758902891	VJFPBTKOFNTNTO-LJQANCHMSA-N	410.514	3.747	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@H](CO)c1ccc(C(F)(F)F)cc1	759561273	XOJOQCIGTFJXSI-CYBMUJFWSA-N	405.467	3.677	10	20	HHCD	
C[C@@H](c1ccc(-n2cccn2)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761619954	PBVTZNWGGIBWJN-AWEZNQCLSA-N	410.861	3.757	10	20	HHCD	
CC(C)(C)c1nc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cs1	761698377	MDRKYRZABMVBGJ-UHFFFAOYSA-N	407.923	3.807	10	20	HHCD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	763009751	LWBILBUUJKMIQJ-MONBJTKQSA-N	420.557	3.511	10	20	HHCD	
C[C@@]1(c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)CCCO1	763316966	ODIHPYMBUZHGNZ-LVWOJMJRSA-N	421.569	3.991	10	20	HHCD	
O=S(=O)(NCc1cccc(Br)c1O)c1cccc(Cl)c1Cl	766199438	CVXNOEAIINPGBZ-UHFFFAOYSA-N	411.104	3.940	10	20	HHCD	
COc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1OC(=O)C1CC1	768163150	VEJPTFCFLYPSLJ-FQEVSTJZSA-N	411.498	3.897	10	20	HHCD	
CN1CCC2(CCCN2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	768941941	WEYZCJGIQKMTNV-UHFFFAOYSA-N	422.520	3.527	10	20	HHCD	
CCC1(CC)[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[C@@H](C)[C@H]1OC	770833878	ZTKXKEQYMDTKTC-ZPMCFJSWSA-N	417.594	3.534	10	20	HHCD	
CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)cc1	771824715	ROSDQUZYJQTFGC-IBGZPJMESA-N	409.578	3.819	10	20	HHCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)ccc1Cl	772776279	PIELABHPXPODMN-QHHAFSJGSA-N	415.751	3.965	10	20	HHCD	
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	772998054	IJVCFIJZMOLRNN-IXFSTUDKSA-N	407.558	3.929	10	20	HHCD	
C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(N(C)C)cc1	773021761	BUWNOYSDYCWDRH-KPFBPEDLSA-N	417.912	3.942	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1	773635259	AUCLDFVPEXLYNY-UHFFFAOYSA-N	408.424	3.542	10	20	HHCD	
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(N(C)C)cc1	773987935	HOUHBYZXXDHLLZ-YADARESESA-N	415.537	3.971	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccnn3-c3ccccc3C)CC2)cc1F	775363732	LTAFUUDDIFORDC-UHFFFAOYSA-N	409.465	3.683	10	20	HHCD	
CC(C)N1CCCN(Cc2cc(Br)cc(Br)c2O)CC1	775638068	ZHWFBMVUJZDYHG-UHFFFAOYSA-N	406.162	3.833	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCS[C@H]2COCC[C@H]21	775737066	OIOHCTFAWAMWTK-OLZOCXBDSA-N	423.170	3.624	10	20	HHCD	
CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(N2CCOCC2)cc1	777444176	YXANTUVUULEPPE-XMGLRAKGSA-N	419.569	3.791	10	20	HHCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCO1	778750837	CSDMOMIUFQERPT-JTHBVZDNSA-N	417.594	3.678	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1	779513770	KNJYWSWZQBUTIR-NTUHNPAUSA-N	423.513	3.954	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)c2)CC1	781272358	CURWKLILOROIQH-UHFFFAOYSA-N	416.525	3.968	10	20	HHCD	
CCOC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H]1CCCOC1	781377332	FFGDQRRROIDFPS-JXFKEZNVSA-N	418.921	3.836	10	20	HHCD	
Cc1ccc(F)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	782423937	QSUOAJHBHYMNCU-UHFFFAOYSA-N	409.461	3.961	10	20	HHCD	
COc1ccc2cc([C@H](C)OC(=O)c3cc(NS(C)(=O)=O)ccc3O)ccc2c1	783152919	ROHFYTIXBAHQIU-ZDUSSCGKSA-N	415.467	3.844	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCCN(c3ncccc3F)CC2)ccc1N1CCCCC1	784674018	FAMSMUBMFHGNSW-UHFFFAOYSA-N	413.497	3.832	10	20	HHCD	
Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1	786114294	ZHELTZYBZCSIQD-UHFFFAOYSA-N	407.436	3.850	10	20	HHCD	
COc1cccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1	786760194	LRUJNWFQRGCLIY-GOSISDBHSA-N	423.557	3.958	10	20	HHCD	
CCCOc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	787208459	KBRUUUQZLWZACO-UHFFFAOYSA-N	423.557	3.644	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)ccc1Oc1ccncc1	787439397	JOCFUUQSYQWQJI-UHFFFAOYSA-N	404.470	3.503	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc2c(s1)CCCCC2	789747366	GZCIOKVKCDRESA-UHFFFAOYSA-N	414.575	3.854	10	20	HHCD	
CCCCOc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(O)c1	789777982	CUUPJVQEQPQNHS-UHFFFAOYSA-N	411.502	3.525	10	20	HHCD	
CC(C)[C@@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1	789897397	ILYXKDHLDQGNFT-HSZRJFAPSA-N	407.558	3.800	10	20	HHCD	
CC1(C)CC[C@](NCc2ccc(N3CCOCC3)c(F)c2)(C(=O)O)c2ccccc21	789904404	VXIOLJTWXJFVCJ-XMMPIXPASA-N	412.505	3.803	10	20	HHCD	
O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1CCc1ccc(F)cc1	790590067	HYHDERZCETWNMF-YBEGLDIGSA-N	404.444	3.883	10	20	HHCD	
O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1cccc(Br)c1O	790963879	IQNISFARYMYSMF-UHFFFAOYSA-N	417.618	3.714	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCCc2ccc(F)cc21	792886126	YQUWSCIJRATFNF-QHCPKHFHSA-N	411.521	3.911	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3cnc(OC)c(Cl)c3)cc2F)CC1	793523081	CPRUTTXWGBSZER-HNNXBMFYSA-N	406.933	3.875	10	20	HHCD	
CS(=O)(=O)c1cc(CNCc2cc(Cl)cc(F)c2O)cc(C(F)(F)F)c1	793604649	ABBGNDFHSWQRDC-UHFFFAOYSA-N	411.804	3.897	10	20	HHCD	
Cc1ccccc1C[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	793682579	VPLBFXBXGWLWIP-FQEVSTJZSA-N	407.558	3.691	10	20	HHCD	
COc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c(O)c1	794389967	UJKDAKDKFGUNKL-LIRRHRJNSA-N	423.296	3.543	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c2ccccc12	797634503	QHCABNFUAOPXQS-AWEZNQCLSA-N	424.453	3.556	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cc(C)ccc1OC	799778648	AVJSHAQCMRSITI-UHFFFAOYSA-N	414.321	3.683	10	20	HHCD	
CC(C)(C)OCCCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	803748551	GUCQXPSJJAMPBR-UHFFFAOYSA-N	423.465	3.539	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3ccccc3Cl)cc2)CC1	805024447	GLOXQJNGZMGFKH-UHFFFAOYSA-N	413.949	3.851	10	20	HHCD	
CC(C)CC(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	805035367	IPSRAQNNBRRSHK-UHFFFAOYSA-N	402.322	3.535	10	20	HHCD	
CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806347614	FKXSPEFXWODUQV-UHFFFAOYSA-N	421.277	3.704	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cc2ccccn2n1	806646227	NRGCDGVXNKFYKS-UHFFFAOYSA-N	419.407	3.511	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21	806846471	PSAPJVGQYLDPSK-SGNDLWITSA-N	403.526	3.777	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCN(c2ccccc2)C1	807756234	OEJRDFBSAJWQNL-HXUWFJFHSA-N	423.557	3.554	10	20	HHCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1	809154131	NRYKTSTWONLNSX-RIYZIHGNSA-N	422.076	3.673	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC3CC(NC(=O)OC(C)(C)C)C3)cc2F)C[C@H](C)O1	809607024	MTEQDMUPEXHMTQ-QEFXCSQDSA-N	407.530	3.585	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncnc1-c1ccccc1	810631551	LKUKQFXRCBXCAQ-LJQANCHMSA-N	422.916	3.897	10	20	HHCD	
COc1ccc(N2CCC(Nc3cc(C(N)=O)ccc3OCC(F)F)CC2)cc1	811520750	UMTKGHSCIAICCU-UHFFFAOYSA-N	405.445	3.519	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)[C@@H]3OCCc4sccc43)CC2)cc1	814107772	SVMZPRLCBSGVKQ-KKSFZXQISA-N	400.544	3.746	10	20	HHCD	
O=S(=O)(NCCN[C@H](CCc1ccccc1)c1ccccc1O)c1ccccc1	815569369	QHYJSFXXZKBPEU-JOCHJYFZSA-N	410.539	3.634	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CSCC2=O)sc(C)c1-c1ccc(F)cc1	830014272	UKDITXDBCAOYMK-UHFFFAOYSA-N	422.503	3.511	10	20	HHCD	
Cc1cc(CCNC(=O)N2CCN(Cc3cccnc3)CC2)c(C)n1-c1ccccc1	916221163	RSPVDFOVAKXVED-UHFFFAOYSA-N	417.557	3.559	10	20	HHCD	
O=C(Nc1ccc(OC(F)F)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	918294760	VKOMRMKHEZIVAH-UHFFFAOYSA-N	416.380	3.754	10	20	HHCD	
Cc1cc(-c2nnc([C@@H](C(C)C)N3CCCS3(=O)=O)o2)c(C)n1-c1ccccc1	1117203790	LOXTZLYXITVEQM-LJQANCHMSA-N	414.531	3.877	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)sc2c1CCC2	13255669	FSCGZGJYZXGUFX-OAQYLSRUSA-N	401.484	3.785	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	33633160	MNJJBVZBKOVVNK-RAXLEYEMSA-N	411.413	3.657	10	20	HHCD	
C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(N2CCOCC2)cc1	109180619	ZOVNYUISAWZSCH-GOSISDBHSA-N	420.513	3.773	10	20	HHCD	
C[C@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(N2CCOCC2)cc1	109557838	GCCOMEVBXHFHFN-INIZCTEOSA-N	410.905	3.853	10	20	HHCD	
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cc(F)c(Cl)cc1Cl	195617546	OMHKPLJTPDOSNT-QMMMGPOBSA-N	421.277	3.701	10	20	HHCD	
COCCOc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	237210979	BFEKZRMKGKTUQO-UHFFFAOYSA-N	424.463	3.857	10	20	HHCD	
O=C(CCCc1nc(O)c2ccccc2n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	253614579	QVXOXADMSXITSY-SFHVURJKSA-N	421.497	3.572	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2cnn(C)c2)c(C)n1-c1cccc(C(F)(F)F)c1	726002259	UBMOOVOJFWESKH-UHFFFAOYSA-N	419.403	3.815	10	20	HHCD	
O=C(Nc1ccc2c(c1)OCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726609183	NGUPHXPFMSFEMA-UHFFFAOYSA-N	405.401	3.807	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](c4ccccc4C)C3)cc2F)CC1	730134541	DTCOSAHHLLHCQV-OAQYLSRUSA-N	424.564	3.975	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)CC1	731048494	LYHMSRVIFNVGPP-HSZRJFAPSA-N	406.574	3.997	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	733359556	CRNITFSOWOENGF-CYBMUJFWSA-N	424.875	3.663	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1	734060961	NWKOTBDLOQVMLB-INIZCTEOSA-N	406.866	3.934	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1	734503611	SQYFZQRUYFEENO-UHFFFAOYSA-N	404.866	3.794	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1	740813048	PLXCWPBJRRDWFQ-UHFFFAOYSA-N	422.572	3.908	10	20	HHCD	
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1ccc(N2CCOCC2)cc1	741734552	GEFYLRCTAANJEB-INIZCTEOSA-N	423.473	3.674	10	20	HHCD	
CCO[C@H](C)c1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	742557044	PEPKCRMBTONQRH-QLFBSQMISA-N	421.538	3.923	10	20	HHCD	
O=C(COc1ccc2c(c1)CCC2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805306	ISLMRCPYYOSOOZ-SFHVURJKSA-N	416.468	3.941	10	20	HHCD	
COc1ccccc1OCCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742807275	ZCCDUYWLNMUOEN-MRXNPFEDSA-N	420.456	3.851	10	20	HHCD	
COC(C)(C)C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	743555044	OTALWEBXLFZKAL-CQSZACIVSA-N	417.472	3.545	10	20	HHCD	
COc1ccc(C[C@H]2CCCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)cc1	743559493	IMLRTRVXGPPVAH-JOCHJYFZSA-N	423.557	3.696	10	20	HHCD	
COc1csc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	746863472	XHRNRRNUKDDLKF-QGZVFWFLSA-N	419.547	3.819	10	20	HHCD	
CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1	750875518	UXUYTQSGZAVIRU-NTKDMRAZSA-N	424.541	3.930	10	20	HHCD	
COc1cccc(CNC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1O	756137889	SMVOOCGXFQUWAF-UHFFFAOYSA-N	415.490	3.790	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cccc(OCc3noc(C)n3)c2)cc1F	759044529	QVFFBGZTXLSLIK-UHFFFAOYSA-N	412.465	3.872	10	20	HHCD	
COc1ccc(C(=O)CCCCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	759357169	KBXKABHBZVYFIN-UHFFFAOYSA-N	410.514	3.796	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)CC(F)F)c(C)n1-c1ccc(Br)cc1	760676267	HLPLIFXOMNRXLO-CYBMUJFWSA-N	401.251	3.603	10	20	HHCD	
Cc1cc(C(=O)CN2CCC([C@H](O)c3nccn3C)CC2)c(C)n1-c1cccc(F)c1	760878585	IXAUSEUSXLDYID-QHCPKHFHSA-N	424.520	3.595	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cc(Br)cs1	761096766	FBQWHDXSUACXQI-UHFFFAOYSA-N	415.696	3.834	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](c1ccccc1)[C@H]1CCCO1	761116685	HGBQTOKSGAUGHE-QUCCMNQESA-N	400.862	3.730	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)c3cc(OC)cc(OC)c3)c2C)cc1	762320480	BVVUTXIPKMXKJR-QHCPKHFHSA-N	424.497	3.583	10	20	HHCD	
C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(N2CCOCC2)cc1Cl	764788507	LLFVNNISSRLTDI-QGZVFWFLSA-N	411.937	3.667	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C	765850132	AJYGXBOGXCANAJ-UHFFFAOYSA-N	401.482	3.666	10	20	HHCD	
Cc1ccc(CN(CC2(CS(C)(=O)=O)CC2)c2ccc3c(c2)OCCO3)s1	767423547	BMEBFADJSIGFEB-UHFFFAOYSA-N	407.557	3.659	10	20	HHCD	
C[C@@H](NC(=O)c1csc(-c2ncccc2F)n1)c1ccc(N2CCOCC2)cc1	768334683	OVSBUHURLBDBLU-CQSZACIVSA-N	412.490	3.672	10	20	HHCD	
Oc1cc2c(cc1CN1CCC(c3nc4cc(Cl)ccc4o3)CC1)[C@@H](O)CO2	768441317	YFKJPVIBECDBFI-SFHVURJKSA-N	400.862	3.992	10	20	HHCD	
O[C@@H](CN(Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1)c1ccco1	769538319	CUOLESYQDQHCIL-QHCPKHFHSA-N	410.489	3.991	10	20	HHCD	
C[C@@H](NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	773316891	KPVXMMZUGAMMPC-FAEJEUNOSA-N	404.555	3.949	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](C1CCCCC1)C(F)(F)F	775993811	DJOVEHZBIJBXKF-GOSISDBHSA-N	417.447	3.973	10	20	HHCD	
COc1cc(O)c(CN[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1OC	776252747	XDVFCGOLXSFBKR-WAIKUNEKSA-N	401.503	3.824	10	20	HHCD	
CC[C@H](C)Oc1cc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccn1	777737547	MKGLLSCHSLOFTE-KRWDZBQOSA-N	412.534	3.736	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1	779497338	CKLSDNFAWFSEBW-MEJUDOHFSA-N	415.449	3.793	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1cccc(Br)c1	780357300	CKXPAOCKWOOHDG-CVEARBPZSA-N	405.336	3.742	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c2cccnc12	784108497	YHWSEKQFVDMKEP-UHFFFAOYSA-N	418.497	3.988	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(-c3ccccc3)o2)cc1	788483686	UDSHIKHAYJDTJN-UHFFFAOYSA-N	405.498	3.725	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c(O)c1	794377224	PFYDPMFFOHIVEF-QFIPXVFZSA-N	403.434	3.785	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CC3CC(c4ccccc4)C3)cc2)CC1	798503752	NFAMYSXNZUNRJS-UHFFFAOYSA-N	405.542	3.555	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1	799022171	CHZQJGGUCNZFJK-UHFFFAOYSA-N	413.465	3.686	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c(Cl)n1	800926158	KNPGJGXESXLWBT-UHFFFAOYSA-N	407.904	3.903	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(Cl)c2ncccc12	801441468	FNKFFHATTKXTOQ-UHFFFAOYSA-N	411.889	3.770	10	20	HHCD	
CO[C@@H]1CCN2C(=O)N(Cc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)C(=O)[C@H]2C1	804188344	MFQBGVBRGJHZGK-ZSZQSSIHSA-N	405.926	3.518	10	20	HHCD	
CCOCCCN1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)[C@H](C)C1	805124223	HWTIYLGOSQXLQM-CXAGYDPISA-N	418.365	3.635	10	20	HHCD	
CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)NCc1ccc(N(C)C)cc1C	807102667	HCDAKAJYRYXQPU-UHFFFAOYSA-N	403.526	3.879	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCCn1cc(Br)cn1	807613417	FOKHOAQZDYWZEP-UHFFFAOYSA-N	409.328	3.753	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ncc(C)s1)C1CC1	807628941	GMRZACDBOMOXEA-SFHVURJKSA-N	401.532	3.553	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)c(N2CCNC2=O)c1	807837635	YWCMMZKTAWNGJT-UHFFFAOYSA-N	414.676	3.812	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)c2ccc(F)cc2)cn1	808574865	DHWJNMIPVNGDNW-UHFFFAOYSA-N	407.854	3.727	10	20	HHCD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cc(F)ccc1O	809679411	GFJXKTNUUKCHMF-UHFFFAOYSA-N	408.495	3.717	10	20	HHCD	
Cn1nc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C1CC1	810278118	BSJYUIUCSZSFES-UHFFFAOYSA-N	405.449	3.689	10	20	HHCD	
CCO[C@@H](C)c1nc(CN2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)cs1	815054041	FIVAXGCZZSZXLY-SFHVURJKSA-N	402.608	3.933	10	20	HHCD	
C[C@H](OCCc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857473042	RWAMKADHKSOACP-LAUBAEHRSA-N	416.949	3.774	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1	914746715	XLMMSPIAUGJXEX-UHFFFAOYSA-N	416.480	3.758	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)n1	915290580	QATFIHANACAIMN-UHFFFAOYSA-N	421.456	3.536	10	20	HHCD	
O=C(NCCc1cn2c(n1)CCCC2)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915777873	RYMCMFSXYOJOPV-UHFFFAOYSA-N	416.485	3.932	10	20	HHCD	
COc1ccc(C(=O)N2CCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2)cc1	917505687	BXIGYTKXFRLEPK-UHFFFAOYSA-N	423.538	3.762	10	20	HHCD	
CN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918220370	XGHIUYNSFZDNCF-UHFFFAOYSA-N	411.930	3.843	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(C)n(-c4nccs4)c3C)CC2)cc1	918368709	GPAOVSLMABAUKA-UHFFFAOYSA-N	410.543	3.912	10	20	HHCD	
C[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	920867090	NBPNBYSBLJBIII-FQEVSTJZSA-N	422.573	3.548	10	20	HHCD	
Cc1nc2ccccc2n1CCCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920870424	FIQDXLYTEOPOJP-GOSISDBHSA-N	421.545	3.632	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)cc1	921056232	DGNTWDDZTWKYDD-UHFFFAOYSA-N	404.514	3.539	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)S(=O)(=O)Cc3ccccc3)ccc21	1115981947	LJGGNLWJTBLMCO-UHFFFAOYSA-N	414.527	3.507	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\CCn4c3nc3cc(Cl)ccc3c4=O)cc2F)CC1	1248745945	CWURARFVKULOIB-FOWTUZBSSA-N	424.907	3.885	10	20	HHCD	
CCOc1ccc(N2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1	1319614169	LMHPTYSANDOIDJ-UHFFFAOYSA-N	408.458	3.971	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)[C@H]3OCCc4sccc43)CC2)cc1	1326311502	NOCZCSQYLQBQNI-IIBYNOLFSA-N	400.544	3.746	10	20	HHCD	
CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nnc1-c1ccccc1C	7044743	UWDJQOBJTJCIJI-UHFFFAOYSA-N	409.559	3.748	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(N3CCOC3=O)cc2)cc1	109702435	FUOZQQMMBCLATC-JOCHJYFZSA-N	423.513	3.531	10	20	HHCD	
CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1	303166417	QIIUNCSUDGFGBK-LJQANCHMSA-N	411.546	3.871	10	20	HHCD	
Cc1ccc(-n2nc(C(=O)N3CCOc4cc(N(C)C)ccc43)c3c2CCC3)c(F)c1	437009453	IFNWMDDWGLBBLD-UHFFFAOYSA-N	420.488	3.914	10	20	HHCD	
CCC(=O)Nc1cccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)c1	546272126	XOMNHJAUOPWYMY-UHFFFAOYSA-N	418.478	3.968	10	20	HHCD	
CCOc1ccc(CNCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(O)c1	725845730	KCDKJNPMSHDMGS-QGZVFWFLSA-N	418.559	3.501	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSC[C@@H]2CCCCO2)cc1	727375171	JMBNHLLOZSDZGU-RTWAWAEBSA-N	406.592	3.563	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cn(Cc3ccccc3)nn2)cc1	728839703	XLOQXSVHZUOZJL-UHFFFAOYSA-N	417.435	3.597	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(F)ccc2N2CCOCC2)cc1F	731346417	XJYVFVQVXHNFJK-UHFFFAOYSA-N	403.473	3.578	10	20	HHCD	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	731852120	LJXKJLMEFQQQHS-INIZCTEOSA-N	404.854	3.740	10	20	HHCD	
C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1	732278473	OENKOIFIRHJCLL-HXUWFJFHSA-N	424.564	3.643	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c(C)n1-c1ccc(Cl)cc1	732782319	XDPUIHJDALGSPK-LJQANCHMSA-N	414.981	3.646	10	20	HHCD	
O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNCc1ccc2c(c1)CCO2	733331363	DAZKPHNBCCBDPE-UHFFFAOYSA-N	419.525	3.666	10	20	HHCD	
Cc1ccc(F)c(N2CCC[C@@H](N[C@H](C)c3ccc(N4CCOCC4)cc3)C2=O)c1	735675102	ACDRGCLCCRUAJL-XMSQKQJNSA-N	411.521	3.817	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(=O)n3c(nc2c1)CCCCC3	743719895	ZEAHEDWLQRLVFI-UHFFFAOYSA-N	417.509	3.637	10	20	HHCD	
CCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cc(Br)ccc1O	743872830	BEQMTYPZNVHIID-UHFFFAOYSA-N	410.312	3.901	10	20	HHCD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745752394	DKBKFIMXGRZKSR-RDJZCZTQSA-N	419.472	3.893	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c1	753173722	ZRQOZLJREKXNDL-GOSISDBHSA-N	421.534	3.724	10	20	HHCD	
CN(CCc1nccs1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	753647121	SIESZHWNVKBEAW-CQSZACIVSA-N	410.490	3.597	10	20	HHCD	
C[C@H](NC(=O)c1cc(O)cs1)c1ccccc1NS(=O)(=O)c1cccs1	755304239	CPZMGLXNAODHDR-NSHDSACASA-N	408.526	3.807	10	20	HHCD	
C[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1O	756489715	IPFLGCKQICBZQP-SNVBAGLBSA-N	409.236	3.685	10	20	HHCD	
CCC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)N1CCc2sccc2C1	756535511	NIKZWHMPDYZKIE-SUMWQHHRSA-N	403.504	3.766	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2cc(Br)cc(F)c2O)c1	756587496	ANRYRIYOEXXXMD-DYZYQPBXSA-N	414.271	3.695	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1cccc(F)c1)c1cc(Br)cc(F)c1O	756707585	KBQDZMAGKCFDOA-LLVKDONJSA-N	413.262	3.904	10	20	HHCD	
COc1cc(C)ccc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	757634807	STEBNYAJBKKCJN-IAGOWNOFSA-N	415.509	3.756	10	20	HHCD	
CCOC(=O)c1c(NC(=O)c2ccc3nnnn3c2)sc(C)c1-c1ccc(C)cc1	759052860	UAYASHSATUVAFP-UHFFFAOYSA-N	421.482	3.899	10	20	HHCD	
CCOc1nc(C(F)(F)F)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	760085732	NOHJENMIYUGYLW-UHFFFAOYSA-N	423.435	3.608	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccccc1Br	760998934	RSVTZQFFDAXSHW-UHFFFAOYSA-N	409.667	3.773	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3cccc(-c4cscn4)c3)no2)c1	762297279	FUWZCGDZWHWWAB-UHFFFAOYSA-N	414.468	3.604	10	20	HHCD	
C[C@H]1CN(CCCN[C@@H](C)c2cc(Br)cc(Cl)c2O)CCCO1	762650133	PIBMZENZBZEXHH-STQMWFEESA-N	405.764	3.960	10	20	HHCD	
CC(C)CC(=O)N1CCC(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1	765419435	IJSCDWYBQJAWHM-QGZVFWFLSA-N	407.986	3.864	10	20	HHCD	
COc1cccc(O)c1CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	769318380	XQDAEZSCSZWCCE-UHFFFAOYSA-N	411.380	3.650	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2nc(C(F)F)[nH]c2c1	772434348	RTIUTYPJHLOZOP-UHFFFAOYSA-N	419.407	3.798	10	20	HHCD	
Cc1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1-c1c(Cl)cccc1Cl	773740933	VBGKHHOEBTXETQ-JTQLQIEISA-N	421.284	3.655	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1)c1ccc(N(C)C)cc1	773983287	WUSUABWYQYQRHT-SNVBAGLBSA-N	417.314	3.797	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1O	774850230	NKKGGCOJFRPXNB-AOOOYVTPSA-N	402.291	3.872	10	20	HHCD	
COc1cccc(OC)c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1	775149908	ITCGDHUKTIMWJH-UHFFFAOYSA-N	418.496	3.563	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CN=c1cc[nH]cc1Br	775451415	XDODMHJLSUSCRY-UHFFFAOYSA-N	416.241	3.734	10	20	HHCD	
CN1CCN(c2ccc(CN(Cc3ccccc3)C[C@H](O)c3ccco3)cc2)CC1	775732763	PZUVKXKNUVEGQI-DEOSSOPVSA-N	405.542	3.767	10	20	HHCD	
COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	778233941	JLNHFKUMYAYHGK-WOJBJXKFSA-N	410.474	3.693	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)C2CC2)cc1	778428885	SGBONEIVLKUYEZ-FQEVSTJZSA-N	406.448	3.866	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2cc(Br)cc(C)c2O)c1	779024561	NGPUXMQXLJPTSZ-XIKOKIGWSA-N	410.308	3.865	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1C(=O)NCCc1ccccc1	779476107	UXWSPHLWEJEXJF-ACCUITESSA-N	402.450	3.722	10	20	HHCD	
Cc1ccc(-n2cc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cn2)c(C)c1	786206631	DIJKQWOEUWEGDX-UHFFFAOYSA-N	405.502	3.647	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)CCc1ccccc1)c1cccc(C(F)(F)F)c1O	788825302	YBQUWOAONJUZHN-CQSZACIVSA-N	401.450	3.719	10	20	HHCD	
CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@H]1CCC(C)(C)C1	794273163	CZQXRXZADMXBKU-AWEZNQCLSA-N	408.545	3.905	10	20	HHCD	
COc1ccc(=O)n(CC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)n1	794440817	LLJGEGDGOCXSFK-UHFFFAOYSA-N	406.269	3.849	10	20	HHCD	
COC[C@H](c1ccc(Cl)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	794798879	XBQRGVQJCSPNMK-MRXNPFEDSA-N	409.269	3.851	10	20	HHCD	
CCN(CC)c1ccc(CNc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1	796387900	JVGBVICAIPBOTI-UHFFFAOYSA-N	400.548	3.616	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1c(Cl)ccc2c1CCO2	797667001	PNBVNTPDKJOKKE-UHFFFAOYSA-N	405.857	3.572	10	20	HHCD	
COc1ccc(C(=O)N2CCC[C@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	798377343	RELGGTKLTGMWNQ-QHCPKHFHSA-N	421.541	3.557	10	20	HHCD	
Cc1cc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1	802753693	NDWPNOZJBQJNJM-QUCCMNQESA-N	421.545	3.614	10	20	HHCD	
CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	806542768	YAOXOFMBBAUEBX-WAOWUJCRSA-N	414.550	3.606	10	20	HHCD	
CC[C@@H](C)N[C@H](CNC(=O)NCc1cccc(Br)c1O)c1ccco1	807443858	VUJXYYSJFRGSLI-IUODEOHRSA-N	410.312	3.676	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1	808095689	ODQKODHIWOOHSG-UHFFFAOYSA-N	417.893	3.919	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)CCCCC2=O	810168023	UOPJFMFIXSMYGF-UHFFFAOYSA-N	410.489	3.626	10	20	HHCD	
Fc1cc(CNc2nnc(-c3cccc(OC(F)F)c3)o2)ccc1N1CCOCC1	812346159	HBKNWYPCRJNNSN-UHFFFAOYSA-N	420.391	3.926	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1COc2ccccc21	812444103	XLHSSIWZTMSVSD-AWEZNQCLSA-N	405.292	3.862	10	20	HHCD	
C[C@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N2CCOCC2)cc1Cl	812740018	KOXOPVBROMXPJT-HOTGVXAUSA-N	417.912	3.772	10	20	HHCD	
C[C@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N2CCOCC2)cc1Cl	812740020	KOXOPVBROMXPJT-JKSUJKDBSA-N	417.912	3.772	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N(C)Cc3cccc(C)c3C)CC2)cc1	813564480	ZZOREXUNKUQWGK-UHFFFAOYSA-N	424.589	3.666	10	20	HHCD	
Cc1cc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)ccc1F	824261094	ZTRATKKCDSOOIZ-UHFFFAOYSA-N	418.380	3.748	10	20	HHCD	
CN(C)C(=O)COc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	916678251	RWLZGVJPHPCCDG-UHFFFAOYSA-N	423.469	3.687	10	20	HHCD	
O=C1c2ccccc2N[C@@H](c2cc(O)cc(Br)c2O)N1CC(F)(F)F	917502560	ZFWPVLMCKAKQQT-CQSZACIVSA-N	417.181	3.989	10	20	HHCD	
C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)nn1)c1ccc(N(C)C)cc1	1320520969	BQKVZYJPGIXEBH-ZDUSSCGKSA-N	414.307	3.587	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2ccccc2F)oc1=S	7317500	LUQIAWZTHLAQEN-UHFFFAOYSA-N	414.506	3.938	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)n(C)c2ccccc12	472801996	FRWWVROSLXMREO-UHFFFAOYSA-N	403.404	3.846	10	20	HHCD	
CCOCc1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	726721591	WLNSKQNSGVZQQQ-UHFFFAOYSA-N	408.454	3.689	10	20	HHCD	
CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	727985542	CXOPFRMBKFFEAX-UOUFMIKHSA-N	401.576	3.501	10	20	HHCD	
CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728197231	BGYBNSOUOGKCSG-HKUYNNGSSA-N	424.541	3.846	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)c(F)c(F)c1	728466445	IWRVEZBCUCAKIB-UHFFFAOYSA-N	418.337	3.889	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nn3cnc4sc(C)c(C)c4c3=O)ccc21	728513966	MICYNJKLQONXAU-UHFFFAOYSA-N	424.526	3.677	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1	728941991	MODMSDZNHBECBX-GOSISDBHSA-N	415.843	3.655	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(Cn3cccn3)cc2)cc1F	731363734	HGVISOMJHXKKKN-UHFFFAOYSA-N	409.509	3.916	10	20	HHCD	
O=C(CCc1cnn(-c2ccccc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	731856830	SIDQMZSJUKSDCG-QFIPXVFZSA-N	405.498	3.718	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	734067283	HLKQVQKHLVJSLK-HNNXBMFYSA-N	409.408	3.711	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1	740909816	KYLXZADWDBRQTF-GOSISDBHSA-N	412.484	3.667	10	20	HHCD	
CCc1noc(-c2ccc(CCNC(=O)NCc3ccc(N4CC=CC4)cc3)cc2)n1	740911830	SRRZZOATTLDAED-UHFFFAOYSA-N	417.513	3.717	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)c1O	741096627	HEVACMZIWSBZDG-UHFFFAOYSA-N	414.527	3.832	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cn2)NC(=O)OC(C)(C)C)cc1	742750520	DEFLFKBLYYUANM-SFHVURJKSA-N	418.925	3.797	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c(C)n1-c1cccc(Cl)c1	742764081	NQZFPWVSRQYMEF-HXUWFJFHSA-N	401.938	3.684	10	20	HHCD	
CCOC(=O)c1c(C)[nH]c(C(=O)N(CC)Cc2cc(Br)ccc2O)c1C	743809591	YMRLOYJZPMRLAJ-UHFFFAOYSA-N	423.307	3.939	10	20	HHCD	
C[C@H](Cc1c(F)cccc1F)NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1	743841837	ZHSJBKGHPVKNLF-MRXNPFEDSA-N	401.501	3.743	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC(=O)Nc1ccccc1	743873256	LWVVLPCOKFAXIM-ZDUSSCGKSA-N	420.307	3.713	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(CN2CCCCC2)c1	743958111	LLACPQWGPOIBSO-UHFFFAOYSA-N	421.541	3.512	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c1C	747917120	XAUFIMDRFYKKCM-OAQYLSRUSA-N	410.539	3.918	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)o1	748092187	YBJMMZNXSHMENS-UHFFFAOYSA-N	406.485	3.997	10	20	HHCD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	750298215	DCSWRZLQSDMRRG-AZUAARDMSA-N	409.571	3.650	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nccn1CCc1ccccc1	751810790	WECSLUZEEXXXRM-UHFFFAOYSA-N	405.546	3.924	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)CN(C)C	754355609	ARZNYDQZSWLBNZ-HZPDHXFCSA-N	412.525	3.532	10	20	HHCD	
Cc1cnc([C@H](C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1	755009498	UPWPTAKYGRNCIA-ZDUSSCGKSA-N	405.479	3.516	10	20	HHCD	
CN(C)c1cccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	755083943	AJCZPSODQDULAN-UHFFFAOYSA-N	402.458	3.818	10	20	HHCD	
COCCOc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)nc2ccccc12	758409302	VECZZSABJDOJKO-UHFFFAOYSA-N	405.498	3.790	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCC(C)(C)CC(C)C)CC2)cc(OC)c1OC	759277049	UWBCRVSOMWQWJK-UHFFFAOYSA-N	407.555	3.616	10	20	HHCD	
O=C1[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCN1Cc1ccccc1	761335351	QVDLSDDAZUFFHO-NRFANRHFSA-N	422.529	3.866	10	20	HHCD	
CCCCCn1cc(CNC(=O)NCc2cccc(Br)c2O)c(C)n1	764798517	DCLIXGRKMVTHHL-UHFFFAOYSA-N	409.328	3.849	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	765326765	UAGLWLOGZYQJRQ-OXQOHEQNSA-N	424.463	3.633	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC([C@@H](O)C(F)(F)F)CC3)cc2)CC1	765769372	SELODINBNWNZKF-LJQANCHMSA-N	413.484	3.768	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CCC(C(=O)NCCN(C)C)CC2)cc1	769163046	ZLJDRJBBFZLOJM-UHFFFAOYSA-N	422.617	3.603	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc([C@@H](C)CC4CCCC4)n3)CC2)cc1	771059249	YYICSNXWKIHONG-KRWDZBQOSA-N	412.534	3.653	10	20	HHCD	
O=C(COC(=O)CCCC(F)(F)F)Nc1cccc2c1C(=O)c1ccccc1C2=O	771133105	WNZXKZHRPKMOTD-UHFFFAOYSA-N	419.355	3.676	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(-c4ccccc4)nn3)CC2)cc1	773277238	NCFCYYFZNNQCOB-UHFFFAOYSA-N	403.486	3.943	10	20	HHCD	
CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1	775190322	RVNRQDMLFNIXHV-NSHDSACASA-N	411.285	3.993	10	20	HHCD	
C[C@H](NCC(=O)Nc1nc2ccc(F)cc2s1)c1ccc(N2CCOCC2)cc1	775257698	LNUYOYOILJQPDT-AWEZNQCLSA-N	414.506	3.561	10	20	HHCD	
COCC1=CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	775390345	IVBNWZCFRIHDAK-FOWTUZBSSA-N	422.597	3.535	10	20	HHCD	
CC[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1O	775518058	CFCFGXRRNQHMGI-ZWKOTPCHSA-N	403.320	3.997	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1	775779251	VOYXUURQKGVCAR-XZOQPEGZSA-N	409.530	3.918	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)c1ccc(N(C)C)cc1	776238243	MUJSPVQYJXSBCV-QGZVFWFLSA-N	415.582	3.620	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1	779022809	HOVINOBKSOHDKC-IRLDBZIGSA-N	417.594	3.678	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NOCCC(F)(F)F	779326560	RMTCMSDGJOSRBZ-PKNBQFBNSA-N	424.491	3.730	10	20	HHCD	
CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)/C=C/c1ccc(O)c(O)c1	779519422	DEXZACGEXZOQMW-XBXARRHUSA-N	421.453	3.667	10	20	HHCD	
Cn1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(-c2ccccc2)n1	779626612	HHRZDQIALDFOMU-UHFFFAOYSA-N	423.492	3.509	10	20	HHCD	
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1	782262089	MWHCUQJNULTUEP-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
COc1ccc(N(CC(=O)N2CC(=O)Nc3ccccc32)Cc2cccs2)cc1	782967268	QMTSPVZVVYULHX-UHFFFAOYSA-N	407.495	3.749	10	20	HHCD	
COc1ccc2c(c1)[C@H](NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCS2	786578924	LAQQZIVVMZJFIF-LAUBAEHRSA-N	411.571	3.724	10	20	HHCD	
CC[C@@H](Oc1ccccc1Cl)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	786589453	UPUXKUAGHLKSTB-LJQANCHMSA-N	418.921	3.765	10	20	HHCD	
Cc1ccc(F)cc1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	786762478	WSVIHSUQSBEHTP-HOTGVXAUSA-N	404.457	3.582	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3c3cc(OC)ccc3OC)CC2)cc1	788092376	WZKVHPUPOFLUIE-IRLDBZIGSA-N	410.514	3.601	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H](O)c1ccccc1	788873855	FYUFPKCSTXNFBV-FGZHOGPDSA-N	413.587	3.797	10	20	HHCD	
C[C@H](NC(=O)NC[C@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	788909809	SFTWXIKTSIECOI-LEWJYISDSA-N	422.573	3.800	10	20	HHCD	
C[C@H]1CCSCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	790203318	AZZWJQLOUNUWDN-AWEZNQCLSA-N	417.497	3.579	10	20	HHCD	
COc1cccc(Cl)c1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	790250428	ZRODKQSJEIXXOV-HNNXBMFYSA-N	403.910	3.746	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc(Br)c(C(C)=O)c1	792701869	FGGVFOLZRZIHQY-UHFFFAOYSA-N	416.318	3.880	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1	797631523	WBLGNGPVFJNJIV-CQSZACIVSA-N	400.475	3.735	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cccs2)nc1-c1ccc2c(c1)CCC(=O)N2	799187209	OELNUKSSXIIYQJ-UHFFFAOYSA-N	405.526	3.866	10	20	HHCD	
CCOC(=O)c1ccccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1	799776108	NZLGCEWQHCJTSB-UHFFFAOYSA-N	403.500	3.702	10	20	HHCD	
CCOC(=O)c1nn(C)cc1CNCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800526946	UJHQPJKOUQCWME-OAHLLOKOSA-N	404.942	3.776	10	20	HHCD	
CC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	800720285	RJXNDOMCBCZVEJ-LPHOPBHVSA-N	420.985	3.634	10	20	HHCD	
CC(C)c1ccc(CCCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	805748728	RCDXJETVLKYVGV-UHFFFAOYSA-N	405.542	3.551	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Cl)cc1F	806843169	FTWGVCXGTTXDRI-HNNXBMFYSA-N	420.868	3.639	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(F)cc1Br	806987785	QOVASOFTWFQRFN-LBPRGKRZSA-N	422.298	3.779	10	20	HHCD	
CCOc1cc(C)ccc1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	807859851	ZUZQJJYABXMVDE-UHFFFAOYSA-N	423.557	3.659	10	20	HHCD	
O=C(N[C@@H]1CCOC2(CCCC2)C1)C(=O)N(Cc1ccccc1O)C1CCCCC1	808110387	LBSJKWIUSMHJDW-LJQANCHMSA-N	414.546	3.662	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1Br	811848712	PWUCAYMJKXFCIX-ZETCQYMHSA-N	410.171	3.756	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)cc1	854393567	NNBBEIYQUVKLIO-INIZCTEOSA-N	418.449	3.853	10	20	HHCD	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	883954982	ZMVGYATYWTYFSK-DEOSSOPVSA-N	405.542	3.609	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN(C)CC3CCCCC3)cc2F)C[C@@H](C)O1	916980348	KQDSISARKXAAOK-HDICACEKSA-N	405.558	3.568	10	20	HHCD	
CCN(C(=O)CN1CCCN(c2ccc(OC)cc2)CC1)c1nc2ccccc2s1	917211208	YPHWOABGKIEAPI-UHFFFAOYSA-N	424.570	3.870	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)c4c(c3)OCO4)cc2F)C[C@H](C)O1	917709075	DEFUWPPSYRSHNV-STQMWFEESA-N	420.868	3.751	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(C(=O)N2CCCCC2)c1	917955488	PRDOJNRYQJLCTH-UHFFFAOYSA-N	407.558	3.781	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccc(CN3CCOC3=O)cc2)C2CC2)cc1	918040046	TYELEDNXKUCRLS-UHFFFAOYSA-N	408.502	3.901	10	20	HHCD	
COc1ccc2ccccc2c1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	918203616	DMZFRUJNFUOEAJ-UHFFFAOYSA-N	423.488	3.824	10	20	HHCD	
CCN(CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1C	918211749	BMSDKPYSRMXOMK-UHFFFAOYSA-N	424.589	3.529	10	20	HHCD	
COc1cc([C@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCCO	920269187	KVRQORQMFLTFOU-SFHVURJKSA-N	408.498	3.965	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(N2CCOCC2)cc1	920872970	RTSFKZJDHFSLST-CYBMUJFWSA-N	405.401	3.727	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)Cn3c(=O)oc4ccccc43)cc2Cl)C1	1322660657	STUGKNATALGUKK-OAHLLOKOSA-N	413.905	3.801	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC1CCN(c2cccc(F)c2)CC1	1324637335	BRVOQSSCJZBQDY-UHFFFAOYSA-N	422.298	3.762	10	20	HHCD	
Cc1cc(CCNC(=O)Cn2cccc(C(F)(F)F)c2=O)c(C)n1-c1ccccc1	1330213723	HRISHHNJUAWTKC-UHFFFAOYSA-N	417.431	3.634	10	20	HHCD	
CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2ccc(N(C)C)cc2)cc1	26082252	LANPRCBMYYUTNK-UHFFFAOYSA-N	409.559	3.865	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)ccc21	109460563	XCGCAQBKCRQGTI-ZRDIBKRKSA-N	417.553	3.637	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccccn1	148478614	PLZMZLWZBSPGFE-LJQANCHMSA-N	418.541	3.876	10	20	HHCD	
C[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1O	216479795	AVEPRVPSLVRTIT-KRWDZBQOSA-N	403.482	3.693	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(C(N)=O)n(C)c2)c(C)n1-c1cccc(Br)c1	725882320	AZPSKFAEZJJJRL-UHFFFAOYSA-N	415.291	3.546	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c(F)c1	727248022	ABVYNFWBAOXBLF-UHFFFAOYSA-N	417.484	3.971	10	20	HHCD	
COc1cc2[nH]c(/C(Cl)=C\c3ccc(N(C)C)c(F)c3)nc(=O)c2cc1OC	727653756	ABOCUNOZMJRXAC-NTUHNPAUSA-N	403.841	3.882	10	20	HHCD	
CNC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cn1	728679989	WEDJUAMBVFACHH-UHFFFAOYSA-N	419.481	3.505	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1	728943300	LGUMRYGFXZKREI-QKKBWIMNSA-N	400.475	3.930	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nc(-c2cccnc2)no1	729593838	NWFBNRIPILSOLL-FQEVSTJZSA-N	420.517	3.928	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCO[C@H](c2ccccc2)C1	729857736	GOCYBFFIFQGLTJ-QFIPXVFZSA-N	411.571	3.913	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)cc2)CC1	731049731	MMZFEXBRVMZWCO-HSZRJFAPSA-N	420.557	3.523	10	20	HHCD	
Cc1cc(N(C)C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731131988	QOXREPCJXXHRPR-UHFFFAOYSA-N	408.546	3.552	10	20	HHCD	
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1	732656028	OHIDLCOJKBOLSP-HSZRJFAPSA-N	407.558	3.821	10	20	HHCD	
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1ccc(N2CCCCC2)cc1	736072789	SFLGWOAGVGZQIP-RXVVDRJESA-N	400.567	3.513	10	20	HHCD	
CC/C(=C/C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(C)cc1	741543292	IMTIQEOIAMAZEI-BARSGRSVSA-N	405.542	3.807	10	20	HHCD	
CC(C)Oc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	742805178	HSVRSZVCFVZAFZ-MRXNPFEDSA-N	405.445	3.869	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)NCc3c(O)ccc4c3CCCC4)cn2)C[C@H](C)O1	743098828	SUNONQMRIMBPDK-HOTGVXAUSA-N	410.518	3.601	10	20	HHCD	
CN(C)C(=O)C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)c2ccc(Cl)cc21	743807375	OPODLSZCVBAVDP-INIZCTEOSA-N	414.937	3.698	10	20	HHCD	
CN(CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	745399048	GZSVOKCJZYZHIH-KRWDZBQOSA-N	418.488	3.692	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3CCc4c[nH]nc4C3)c2C)cc1	745626998	FUOQGZZHXJEAOF-QGZVFWFLSA-N	421.497	3.747	10	20	HHCD	
O=C(NCCc1ccc(O)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745790489	NNJKDTMUXCAZCC-INIZCTEOSA-N	405.445	3.504	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(-c2ccc(F)cc2)n1C	749329898	TWPSSVDESPZZBS-UHFFFAOYSA-N	423.488	3.713	10	20	HHCD	
CO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1	752845797	SRADIGSXHZWURL-PZJWPPBQSA-N	421.545	3.614	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1noc(Cc2ccccc2)n1	752864955	OZMPDJHFYOMNOW-QGZVFWFLSA-N	405.502	3.821	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(-n2cccc2)nc1	753224453	YLJJFFCGOUYHFJ-UHFFFAOYSA-N	412.440	3.873	10	20	HHCD	
CCOc1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)ccc1[N+](=O)[O-]	755042678	URQMEXXHOVGIDC-UHFFFAOYSA-N	408.838	3.528	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c2)CC1	755333906	GLOGAOSRCVCWDS-UHFFFAOYSA-N	409.383	3.799	10	20	HHCD	
C[C@H](NCCOC[C@@H]1CCCO1)c1cc(Br)cc(Br)c1O	756582364	HWEDMDIJVORBQF-JQWIXIFHSA-N	423.145	3.763	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncc(Br)s1	756926437	GZZOJJXJZBUZGG-LLVKDONJSA-N	414.344	3.857	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)c1ccc(Cl)s1	758508287	VUXSOVXHNCVHFD-LLVKDONJSA-N	414.861	3.971	10	20	HHCD	
C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1	759596590	OPPQQYIGQKHYGF-NFEOESJKSA-N	411.454	3.910	10	20	HHCD	
COc1cc(N2CCN(Cc3cc(Cl)nc(Cl)c3)CC2)cc(OC)c1OC	759877231	DRANDIDIQYEAKB-UHFFFAOYSA-N	412.317	3.736	10	20	HHCD	
COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(Cl)cc(OC)c1O	761204011	OBDQXBXTINWNPY-INIZCTEOSA-N	403.784	3.818	10	20	HHCD	
O=[N+]([O-])c1cc(CN[C@H](CN2CCOCC2)c2ccccc2)ccc1N1CCCCC1	761541505	KVVJWTHUSBLBIS-JOCHJYFZSA-N	424.545	3.748	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cn2cnc(-c3ccccc3)n2)cc1	761679873	IIAFMUJJLQGVNM-UHFFFAOYSA-N	417.435	3.602	10	20	HHCD	
O=C1Cc2cc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cc3c2N1CCC3	764951856	RXFJIZSMXXOKMS-UHFFFAOYSA-N	417.537	3.508	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCO[C@@H](c2ccccc2)C1	765230709	SHTVBFLYWDGGAE-RBBKRZOGSA-N	411.571	3.959	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	765239229	FHCCJSMLRLAWOH-QTGUNEKASA-N	409.530	3.804	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	765763603	FFNIYXBNKLDSGC-QWRGUYRKSA-N	400.194	3.992	10	20	HHCD	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4cc(C)oc4C)cs3)ccc21	767673570	XLKVCDDGJOBQGQ-UHFFFAOYSA-N	419.484	3.749	10	20	HHCD	
CCOc1ccccc1OCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768914053	CBEYVQYQNLYWSD-SFHVURJKSA-N	418.921	3.604	10	20	HHCD	
O=C(NC1(c2ccccc2)CC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769750786	AZNLWYZLBDGBNH-UHFFFAOYSA-N	414.508	3.674	10	20	HHCD	
CC1(C)C[C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc21	770346271	BWKQWCUVDURDJA-PGRDOPGGSA-N	420.557	3.610	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2cccc3c2OCO3)cc1	771290100	OQYVFZMNYIVSDG-OAQYLSRUSA-N	410.514	3.622	10	20	HHCD	
CC(C)COc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	772790823	MZQFGLMIMSUUPI-IBGZPJMESA-N	412.530	3.814	10	20	HHCD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1	774363881	NFAWVRBSSKVJPR-UHFFFAOYSA-N	402.516	3.594	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	777308088	AWFXFQIHWMLINF-MRXNPFEDSA-N	422.978	3.821	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3cccc(C(=O)OC(C)(C)C)c3)SC2=S)CC1	777875883	SQCVEGMRMLBKFI-GHRIWEEISA-N	418.584	3.937	10	20	HHCD	
COC(=O)[C@H](NCc1cc(Cl)cc(OC)c1O)c1ccc(OC)c(Cl)c1	779179758	HGZBCSGJUNGWOE-MRXNPFEDSA-N	400.258	3.720	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2nccc(C)n2)cc1	784023604	FJUQBHXRWSZPER-UHFFFAOYSA-N	404.470	3.535	10	20	HHCD	
C[C@H](NCc1cccc(I)c1)c1ccc(N2CCOCC2)cc1	790531040	TTXYZZYWFIQNRC-HNNXBMFYSA-N	422.310	3.979	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CSc1ccncc1	791248940	AVGKVWWWUBOXNC-UHFFFAOYSA-N	401.532	3.562	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C	792701912	HHJMIFOBWNQXEH-UHFFFAOYSA-N	400.481	3.658	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3cnc(OC)c(Cl)c3)CC2)cc1	793522085	ZVJLDCVDEFBVRO-QGZVFWFLSA-N	418.969	3.615	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ncccc1Br	793657652	QDISDTVCGBSEEQ-UHFFFAOYSA-N	414.097	3.975	10	20	HHCD	
Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1N1CCSCC1	797620354	FVZQMBOLCBURAD-OAHLLOKOSA-N	401.532	3.712	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)NCCCSc2nccs2)C1	802243639	GDMADQOCTXEZCR-SFHVURJKSA-N	414.597	3.572	10	20	HHCD	
Cc1ncc(COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1	803273540	XZZNDGBIAHBYHU-NVNXTCNLSA-N	419.553	3.571	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CN3C(=O)N[C@H](CC(F)(F)F)C3=O)cc2Cl)C1	804188081	JMDFXORNCZEMTD-SMDDNHRTSA-N	403.832	3.949	10	20	HHCD	
CS(=O)(=O)Cc1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806242630	BUAGVDLIVIKVLW-UHFFFAOYSA-N	403.287	3.565	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2	807077957	HEAVAEGNWUZQLE-UHFFFAOYSA-N	424.497	3.903	10	20	HHCD	
Cc1cccc([C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C(C)(C)C)c1	807289478	WCIBQBZGNJKQRC-QFIPXVFZSA-N	405.542	3.891	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(CSC)c1	807739685	NKZLTXHDEWRFFK-UHFFFAOYSA-N	400.544	3.700	10	20	HHCD	
Cc1cc(O)nc2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)ccc12	808281246	BILGYOGANQUXFJ-IYBDPMFKSA-N	423.488	3.932	10	20	HHCD	
CN(C)c1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)cc1	810125729	KQNXOXRDKXLURB-UHFFFAOYSA-N	411.243	3.555	10	20	HHCD	
C[C@H](NC(=O)C1(c2cccc(Br)c2)CC(=O)C1)c1ccc(N(C)C)cc1	811186044	AGIQXYZRJUXJBT-AWEZNQCLSA-N	415.331	3.993	10	20	HHCD	
CCC[C@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	815785298	ZHXBYHKVSKNXMJ-INIZCTEOSA-N	409.490	3.709	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cc2)CC1	915320411	WYAJUYYJTYEAJX-UHFFFAOYSA-N	407.562	3.750	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)CC2)cc1	915339508	POEVRGGVPLHFKM-UHFFFAOYSA-N	420.469	3.895	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1	917832559	ARQSLVAIEZSGKI-IBGZPJMESA-N	423.532	3.656	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3c(Cl)cccc3Cl)cc2)C1	917834140	WBSGOFXJYNVYMG-HNNXBMFYSA-N	420.340	3.554	10	20	HHCD	
C[C@H](Cc1ccccc1Cl)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	918216494	RAWABXXVIZYFOZ-QGZVFWFLSA-N	415.965	3.979	10	20	HHCD	
Cc1cc(C)c(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1	918218259	SXTWAUAXTHCBNO-UHFFFAOYSA-N	413.537	3.754	10	20	HHCD	
C[C@H]1c2cccn2CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	918221365	PALVKCXEAMCPIJ-ZACQAIPSSA-N	400.498	3.527	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1Br	918303757	JAJJKAVBXSQXRG-UHFFFAOYSA-N	404.308	3.502	10	20	HHCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccccc1CS(=O)(=O)NC(C)C	1116585236	UKFKKMBTYJMTHJ-LPHOPBHVSA-N	402.560	3.867	10	20	HHCD	
C[C@@H](NCc1ccccc1N1CCN(C)CC1)c1cc(Br)c(F)cc1O	1323828531	CDCBHWCQMVHWPK-CQSZACIVSA-N	422.342	3.896	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1cccc(Br)c1	71806331	WIGAJJDOHAKGLE-UHFFFAOYSA-N	417.347	3.877	10	20	HHCD	
Cc1ccc(NC(=O)NC(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1C	217095070	IFIYGUAFCIFDKG-UHFFFAOYSA-N	407.470	3.953	10	20	HHCD	
Cc1cc(C(=O)NCCNc2nccc(C(F)(F)F)n2)c(C)n1-c1ccc(F)cc1	303811010	YXVSBUQNDSBKAR-UHFFFAOYSA-N	421.398	3.884	10	20	HHCD	
Cc1c(CNC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)n(C)c2ccccc12	472231000	IADJAAHEDOWBEO-QGZVFWFLSA-N	402.502	3.970	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc21	482244217	MXCUWHZNBICCMZ-UHFFFAOYSA-N	410.514	3.894	10	20	HHCD	
C[C@@H](c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1)N1CCOCC1	541092354	DHJUKYWBVOWQMF-KRWDZBQOSA-N	410.518	3.577	10	20	HHCD	
CCS[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)C	727306517	UBYCOEZCQSMVSU-QGZVFWFLSA-N	404.498	3.936	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccccc2CS(C)(=O)=O)cc1F	731398657	GUOGTENXEBGUAF-UHFFFAOYSA-N	407.511	3.538	10	20	HHCD	
COC(=O)[C@](C)(NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)C1CC1	736258535	UUKGPHJWPSBHFO-HXUWFJFHSA-N	419.319	3.928	10	20	HHCD	
CN(CCc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(N2CCOCC2)cc1	740873707	XEKNMRKXKXGHGE-UHFFFAOYSA-N	412.921	3.901	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1	741088848	DMOHFVIZBNAVIY-APWZRJJASA-N	404.555	3.506	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	741544409	LRLMKWAADGDDJE-GOSISDBHSA-N	423.557	3.677	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)c1cc2ccccc2[nH]1	742499199	XRYFGMYJNSPCOH-UHFFFAOYSA-N	404.514	3.547	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742805080	FZTAYCHBBITEQE-QGZVFWFLSA-N	403.429	3.645	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3ccccc3SC(C)C)CC2)cc1	742920310	NMZCWLOBXOWFKO-UHFFFAOYSA-N	413.587	3.748	10	20	HHCD	
O=C(Nc1ccccc1Cl)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743974769	HIYSTWLBHGIAEN-CYBMUJFWSA-N	423.847	3.665	10	20	HHCD	
CC(C)CCc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	745297562	AADBSPZAGZHJOO-LJQANCHMSA-N	423.557	3.928	10	20	HHCD	
C[C@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C(=O)N1c1ccccc1	745883026	RHMGRLZJILHWSV-JTSKRJEESA-N	406.530	3.621	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H]3CCCN3Cc3ccc(F)cc3)CC2)cc1	747210687	RRVCWJDCDHLMGO-HSZRJFAPSA-N	411.521	3.538	10	20	HHCD	
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCCC2)cc1	747495781	OWVCIRXPEHWCSG-UHFFFAOYSA-N	418.582	3.979	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-n3ccnc3)cc2)cc1	751406836	SFMHAXHSNLELCH-HSZRJFAPSA-N	404.514	3.760	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nc(Cc2ccccc2)no1	752866347	QXLQUDSIZSULGZ-KRWDZBQOSA-N	405.502	3.821	10	20	HHCD	
CCOc1ccc(Cl)cc1CCNC(=O)NCc1ccc(N2CCOCC2)cc1	756057665	OSZLIKNWIBLLAV-UHFFFAOYSA-N	417.937	3.617	10	20	HHCD	
C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2Br)c2c(O)ccc(F)c21	756761984	VPCXHESERMYSTM-XUJVJEKNSA-N	410.283	3.872	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@H]1CCCS1	756979842	JQALKIWOMKCUEV-PCRWRXJSSA-N	412.627	3.741	10	20	HHCD	
CCC[C@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1	760099683	ICBFTVDPLGLDSI-AOHITCTBSA-N	424.613	3.757	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(Oc2cccc(Br)c2)CC1	760119519	ZXHWUHKZEKRZJW-ALCCZGGFSA-N	418.287	3.944	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(C(F)(F)F)nc1	761901478	NPNGKMGNQNEQFK-UHFFFAOYSA-N	412.387	3.522	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@@H]3c3ccccc3)cc2)C1	763012630	GSDKGJWAIUHKQH-FYYLOGMGSA-N	420.557	3.825	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCc3ccc(O)c(Br)c3)ccc21	766918210	LYBDZEZBCHRJSL-UHFFFAOYSA-N	404.308	3.537	10	20	HHCD	
CCC(CC)n1nccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771056632	FQLRMCHDOAGUFP-QGZVFWFLSA-N	404.942	3.998	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1	772463997	YMXRKYBKNYNVJE-ILXRZTDVSA-N	407.511	3.549	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](O)Cc1ccccc1Cl	773338467	RAYYYGGHPKNVOW-KRWDZBQOSA-N	412.711	3.760	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(OCc2ccccc2)cc1	773742062	QLUJTNQCCQSWEG-KRWDZBQOSA-N	407.466	3.803	10	20	HHCD	
Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	775258843	KUHVTOLKMZHNKA-HXUWFJFHSA-N	422.573	3.721	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@H](OC)c3ccccc3F)CC2)cc1	775770531	POIKSDIDNXAUAK-JTSKRJEESA-N	415.509	3.832	10	20	HHCD	
CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cc(OC)c(OC)cc2O)CC1	776173799	MWKDQJHAXKKVAE-INIZCTEOSA-N	417.525	3.541	10	20	HHCD	
CCN1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)[C@@H](C)C1	777301255	IRROQAITWGCGKZ-YYWHXJBOSA-N	404.599	3.638	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1	779492708	JACGWYDVNAHKCK-KRXBUXKQSA-N	423.494	3.710	10	20	HHCD	
Cc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(O)c1O	780994847	HGSOWSXYPYFQRM-UHFFFAOYSA-N	400.478	3.934	10	20	HHCD	
COC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1C	784060531	FESAYZNGERZQMP-UHFFFAOYSA-N	409.486	3.668	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCc1ccccc1Cl	786681238	GVTMXJRRSBLYJU-UHFFFAOYSA-N	413.949	3.648	10	20	HHCD	
COC(=O)COc1ccc(CN(Cc2ccccc2O)C2CCCC2)cc1[N+](=O)[O-]	789512731	BIVAAHMLYQKGAV-UHFFFAOYSA-N	414.458	3.797	10	20	HHCD	
Cc1ccc(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(O)c1O	794033977	QOSXAYNHLHWDSI-INIZCTEOSA-N	404.507	3.515	10	20	HHCD	
CC[C@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1O	796817616	NCKDUWOLEOZCGF-FQEVSTJZSA-N	406.523	3.566	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c(O)c1	797616650	WWXABRYJQBTCIP-UHFFFAOYSA-N	421.453	3.740	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	798057450	NGNUICDQWUYMMN-PKOBYXMFSA-N	403.885	3.671	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cc(C3CC3)no2)NC(=O)OC(C)(C)C)cc1	799644823	UAKUWPOCKTYGQB-GOSISDBHSA-N	414.506	3.614	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(CNC(N)=O)cc3)cc2Cl)C1	800343482	SGOIPUVFIDGFBR-HNNXBMFYSA-N	414.937	3.675	10	20	HHCD	
COc1cccc(C2(CNC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CCCC2)c1	805291847	FGJPERMDHGNQPO-SFHVURJKSA-N	423.557	3.567	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(Cl)c1O	806139196	LDPVZUGNIDLXNH-LJQANCHMSA-N	408.951	3.521	10	20	HHCD	
CCCN(C)[C@@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccc(Cl)cc1	806810102	GDNHJSXCNOBGEJ-IBGZPJMESA-N	405.926	3.937	10	20	HHCD	
CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	807291200	UPBOTUJPEFLJCM-IBGZPJMESA-N	405.542	3.550	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1	809193600	SEAQURNPWFLXHI-FGZHOGPDSA-N	407.558	3.629	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1N1CCCCC1	809697199	DFPOOOMHXQLCEQ-CVEARBPZSA-N	401.429	3.578	10	20	HHCD	
Cc1cc(-c2nnc(Nc3cnn(C)c3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1	812426097	XFASVQYSMLSLNY-SFHVURJKSA-N	417.517	3.866	10	20	HHCD	
COc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)nc1	815521728	XJZLHKCZTYVLDF-UHFFFAOYSA-N	411.483	3.654	10	20	HHCD	
O=C1NC2(CCCC2)C(=O)N1CCCN[C@@H](CCc1ccccc1)c1ccccc1O	815554661	FOMBPRUJCMOGOQ-NRFANRHFSA-N	421.541	3.910	10	20	HHCD	
CC(C)C(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1	914455883	GQWLXDFQFMROES-UHFFFAOYSA-N	411.546	3.769	10	20	HHCD	
COCCCn1c(C)cc(C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C	914614283	XSGRMABBASHRDI-UHFFFAOYSA-N	423.513	3.984	10	20	HHCD	
CN(CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Cc1ccccc1	916197074	MUTBNESAZBFFKG-JOCHJYFZSA-N	411.546	3.605	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(F)c(Cl)c3)cc2)C1	917596445	YWNYBLIHKMKMPO-CQSZACIVSA-N	420.941	3.667	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cn3c(CSC)nc4ccccc43)CC2)cc1	108433379	DOWQWCHLBKYJJR-UHFFFAOYSA-N	424.570	3.647	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC3(c4ccccc4)CC3)cc2F)C[C@@H](C)O1	108444416	AIPDELWLCGRMCI-HDICACEKSA-N	411.521	3.970	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1	110362069	UHKYZVISXSISFV-HSZRJFAPSA-N	410.514	3.652	10	20	HHCD	
Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3ccc(N4CCOCC4)cc3)[nH]c2c1	141148348	VMDJOKVCPFVXOK-QFIPXVFZSA-N	419.529	3.755	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3nncn3-c3ccccc3)cc2)CC1	303354301	FWMSVCHDNLJUKC-UHFFFAOYSA-N	404.518	3.503	10	20	HHCD	
O=C(CCn1cnc2ccccc21)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566070	XXAAVSRWIWMXRL-UHFFFAOYSA-N	414.456	3.813	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(F)cc2nc[nH]c12	726567958	WXJQRFDCAMQSJZ-UHFFFAOYSA-N	404.392	3.702	10	20	HHCD	
COc1cccc(OC)c1OC[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1	730081266	NVFPWSGNHRWIBI-NRFANRHFSA-N	414.546	3.566	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccc(F)cc3)cc2F)CC1	730194106	JZWKOCLFLDSITB-KRWDZBQOSA-N	401.501	3.917	10	20	HHCD	
O=C(CN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2)NCc1cccnc1	732198999	DCRHJPRIRGFZQK-WEVVVXLNSA-N	415.493	3.689	10	20	HHCD	
O=S(=O)(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cccc2nsnc12	733250760	JQHJBTGRIUWPRI-UHFFFAOYSA-N	419.875	3.728	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](CN(C)C)C2)c(C)n1-c1cccc(Br)c1	733884609	WVYHOXBTCBQARA-MRXNPFEDSA-N	404.352	3.880	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cnn(-c2ccccn2)c1C(F)(F)F	733972627	UBCXKXWTODKYET-UHFFFAOYSA-N	413.450	3.655	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(I)c[nH]1	734430014	PXAJAQFCTGSJPO-UHFFFAOYSA-N	409.271	3.540	10	20	HHCD	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1/C=C1\SC(N2CCOCC2)=NC1=O	740764810	GSOQNVBOKQSJOR-WQRHYEAKSA-N	416.934	3.504	10	20	HHCD	
O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2nonc12	742423468	MNFUQXJLMZNPGB-NSHDSACASA-N	405.361	3.813	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cc(C3CC3)on2)NC(=O)OC(C)(C)C)cc1	742754567	QMTBBZFVFMEWBQ-GOSISDBHSA-N	414.506	3.614	10	20	HHCD	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801906	UIFAQWBUBWYNSY-WMLDXEAASA-N	420.504	3.602	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1	745358977	FXOPDTVECVZRNS-DEOSSOPVSA-N	424.589	3.746	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1)C1CCCCC1	749008790	FFTNMPNYSVJKQJ-HSZRJFAPSA-N	420.557	3.838	10	20	HHCD	
C[C@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1ccc(N2CCOCC2)cc1	749415435	JJCMMSNOAXJLOQ-SFHVURJKSA-N	401.551	3.717	10	20	HHCD	
Cc1cccc(CN(C)[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1	752298970	SSXBKXVUOAHQDN-MRXNPFEDSA-N	413.477	3.624	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCc3c[nH]c4cc(F)ccc34)CC2)cc1F	753931667	UVVFLIRVEUSQHG-UHFFFAOYSA-N	414.456	3.529	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc([C@H]2CCCO2)n1	755936967	QJIJZQFFSCOKOX-CXAGYDPISA-N	423.485	3.995	10	20	HHCD	
C[C@H](NCc1cccc(CN2CCOCC2)c1)c1cc(Br)c(F)cc1O	756430122	ICSMAZCCINQITP-AWEZNQCLSA-N	423.326	3.977	10	20	HHCD	
CN1CCN(C(=O)c2ccc(-c3noc(-c4ccc(-n5cccc5)cc4)n3)cc2)CC1	761654273	RPHDIDOJDDIEMO-UHFFFAOYSA-N	413.481	3.582	10	20	HHCD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cccc2nonc12	765052525	GJGMSTWGOVJXPM-UHFFFAOYSA-N	423.454	3.976	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc2ncccc2c1	768012428	LOHHDDBKHASNGU-UHFFFAOYSA-N	422.554	3.568	10	20	HHCD	
CC[C@@]1(C)COCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	770880420	FTBKPGIGVVAMFO-QZEGLACASA-N	424.613	3.757	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccn(Cc4ccccc4)n3)cc2F)C[C@H](C)O1	771931467	ZDLRZHRUIRRUTA-ROUUACIJSA-N	422.504	3.614	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)c(F)c1	772979962	JJENSTPJBOQNHA-BEFAXECRSA-N	417.912	3.772	10	20	HHCD	
CCc1ccccc1-n1cnnc1SCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773017608	UPNLGQMNQBAQSS-MRXNPFEDSA-N	409.559	3.865	10	20	HHCD	
C[C@H](NCCOc1ncccc1C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	773084095	PDKQHVBVDMJPCF-AWEZNQCLSA-N	413.415	3.806	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773609551	AOJKMWARINQBKM-LZLYRXPVSA-N	404.555	3.758	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(COc3ccccc3)cc2)cc1F	774187302	GYCPJVXLPDACNN-UHFFFAOYSA-N	421.472	3.726	10	20	HHCD	
CS(=O)(=O)c1ccc(CNCc2c(O)ccc(Cl)c2F)cc1C(F)(F)F	775038653	YMGHUULRIHTSJX-UHFFFAOYSA-N	411.804	3.897	10	20	HHCD	
CN1C(=O)CCc2cc(CN[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)ccc21	775305764	RIDGUZDMLMQFPT-HXUWFJFHSA-N	413.949	3.709	10	20	HHCD	
COc1ccccc1CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@H]1CCCO1	775656463	HEWQFRHAQFDEIE-XMMPIXPASA-N	409.574	3.628	10	20	HHCD	
COc1ccc(CCC(=O)N2CCCN(Cc3cccc(Cl)c3O)CC2)cc1	775667739	MTAARFHXNOJOPJ-UHFFFAOYSA-N	402.922	3.721	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCO[C@H](C(F)(F)F)C1	775714731	SCHUSDCAQIVITM-JTQLQIEISA-N	419.035	3.680	10	20	HHCD	
C[C@H](NCC(=O)Nc1cccc(I)c1)c1ccc(N(C)C)cc1	775833454	JJIJAXHUMNSULA-ZDUSSCGKSA-N	423.298	3.647	10	20	HHCD	
CC[C@@H](C)n1nc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C	776042386	OXADVFUWIUODOF-OAHLLOKOSA-N	410.474	3.629	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776238667	JWPQCTWBAXWWNT-LAUBAEHRSA-N	424.545	3.943	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H](c1ccccc1)C(F)(F)F	776857974	ZBQXCRHPRWNJBR-LJQANCHMSA-N	407.436	3.669	10	20	HHCD	
C[C@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)c1ccc(Cl)cc1	776975172	XJEYRBHIHBUVNC-OAHLLOKOSA-N	418.896	3.841	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(Cl)s2)cc1C	788746822	GORIIJCTHYACPJ-UHFFFAOYSA-N	408.954	3.581	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=S)NCCc3ccc(F)cc3)cc2F)C[C@@H](C)O1	789193940	LPIGGDRZERVQNA-HZPDHXFCSA-N	419.541	3.785	10	20	HHCD	
C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(N2CCCCCC2)cc1	790757051	IXZOJYRUXPDKED-LJQANCHMSA-N	416.587	3.684	10	20	HHCD	
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	792233796	QQZLBMNBXYGLJH-GMAHTHKFSA-N	423.557	3.605	10	20	HHCD	
CN(C)c1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])NC(=O)OC(C)(C)C)cc1	795227456	ORPPHOCMPZUKED-MRXNPFEDSA-N	401.467	3.734	10	20	HHCD	
Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(O)c2O)c(Br)c1	799025284	QSODRTLMSYBMRM-HNNXBMFYSA-N	420.303	3.990	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3ccc4[nH]ccc4c3)cc2F)C[C@@H](C)O1	799365105	UFTZLECXDAFWAE-IAGOWNOFSA-N	424.520	3.963	10	20	HHCD	
CCSCCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	800058323	JVARCPYCFFYEQK-WYMLVPIESA-N	414.643	3.989	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1	800635940	BWOLCUPWIFNJQR-AWEZNQCLSA-N	400.910	3.535	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1C(=O)N1CCOCC1	801613972	SRLZQZPBWCVLJL-UHFFFAOYSA-N	411.502	3.699	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)c(OC)cc1OC	802609641	HUXBRVOVBVROKN-UHFFFAOYSA-N	420.893	3.830	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc(OCC(F)F)cc1	805135323	JKWSVDHOGQTXDM-UHFFFAOYSA-N	412.241	3.821	10	20	HHCD	
COC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1F	806130866	DOWCAUYRDZSTQH-UZLBHIALSA-N	419.928	3.658	10	20	HHCD	
C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc(N2CCCC2)cc1	806433704	PCPGFIJMYMGTJU-KRWDZBQOSA-N	408.550	3.822	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	807099979	IZZAKRKXGZBCIR-UHFFFAOYSA-N	423.557	3.744	10	20	HHCD	
Cc1ccc([C@@H](C)CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	807243968	NCLPESJEWFYYAC-SFHVURJKSA-N	406.482	3.742	10	20	HHCD	
Cc1cc(Cl)nc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	807559113	MEXOXDXNXYAWJJ-UHFFFAOYSA-N	415.921	3.727	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ncn(C)n2)c(C)n1-c1ccc(Cl)c(Cl)c1	811358667	XYXYOJDTVHPEMP-UHFFFAOYSA-N	407.257	3.569	10	20	HHCD	
Cc1cc(CC(=O)Nc2cccc(OCC(N)=O)c2)c(C)n1-c1ccc(Cl)cc1	875882105	ITGBTVJHNNRDFJ-UHFFFAOYSA-N	411.889	3.793	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1	915342886	DVYYVYSNPOBORA-UHFFFAOYSA-N	408.502	3.536	10	20	HHCD	
CC(C)c1ccc(OCCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	916646713	JKCZUZMKDBGRBR-UHFFFAOYSA-N	411.546	3.867	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3nc4c(s3)CCC4)cc2F)C[C@@H](C)O1	916671868	WINANXKWAJSQBN-BETUJISGSA-N	404.511	3.706	10	20	HHCD	
Cc1cc(C(=O)Oc2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1	917058504	MMNPLUNHAQGYBG-UHFFFAOYSA-N	416.474	3.848	10	20	HHCD	
O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1	917864810	YYDQFFHQWOHTSU-UHFFFAOYSA-N	417.487	3.642	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)cc1	918000307	JZSMAPYBRXHQLK-UHFFFAOYSA-N	422.573	3.582	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)c(C)c1	918304441	QVWOWEWARHSEOL-UHFFFAOYSA-N	418.335	3.811	10	20	HHCD	
CC1(C)NC(=O)N(CCCOC(=O)c2ccccc2N=Nc2ccc(O)cc2)C1=O	918953681	QUXPJYJWPBUZTP-UHFFFAOYSA-N	410.430	3.685	10	20	HHCD	
Cc1ccc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cn1	919487379	LELVNHPHJIHKOU-UHFFFAOYSA-N	420.465	3.537	10	20	HHCD	
CSc1nnc(CCCNC(=O)NCc2ccc(N(C)C)cc2)n1C1CCCC1	919896811	SGWCJJUXVBSUPL-UHFFFAOYSA-N	416.595	3.613	10	20	HHCD	
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970417	APCSDSPUYMPQDF-UHFFFAOYSA-N	420.912	3.914	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)c(C)n1-c1ccc(C(C)C)cc1	920757693	LNNWFIBGTBXUHO-NRFANRHFSA-N	408.546	3.847	10	20	HHCD	
CCc1ccc(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1CC	1116600150	JDBHPSDPFDANNQ-UHFFFAOYSA-N	412.530	3.800	10	20	HHCD	
CCc1nnc(S)n1CCNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1318774983	GLLWIFMVPRQPPP-UHFFFAOYSA-N	403.939	3.620	10	20	HHCD	
COc1cccc(Oc2ccc(CNC(=O)NCc3ccc(N(C)C)cc3)cn2)c1	43862373	HCDKSAYNAXUSAL-UHFFFAOYSA-N	406.486	3.948	10	20	HHCD	
CCOc1ccc(NS(=O)(=O)c2cccc3nsnc23)c(C(F)(F)F)c1	64375171	NBLRSQDAXMWOFF-UHFFFAOYSA-N	403.407	3.910	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)n1-c1ccccn1	106072933	NTYIBSYCGFQYPS-KRWDZBQOSA-N	400.486	3.903	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1F	116151033	BSSYSYIRLRSREB-UHFFFAOYSA-N	403.457	3.676	10	20	HHCD	
COc1ccc(N2CCN(CCCNc3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc1	302995937	YKCSHOQMDUVTEQ-UHFFFAOYSA-N	421.501	3.776	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](c4ccccc4)C3)cc2F)CC1	303322120	RNKUUJNHGTVDQB-OAQYLSRUSA-N	410.537	3.667	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1	303896168	VMORVGIEZGANFR-IBGZPJMESA-N	415.493	3.860	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccn(CC(F)(F)F)c3=O)ccc21	465131979	UNDQZCFABHQFAA-UHFFFAOYSA-N	421.419	3.881	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C(=O)OC)c(OC)c3)ccc21	478060351	PUKDJTWOERHPCT-UHFFFAOYSA-N	410.470	3.952	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	726249492	HWVIITUAFSAJNZ-DOTOQJQBSA-N	422.545	3.727	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1	728308718	RXNVXCCCEXCCCL-KRWDZBQOSA-N	408.546	3.954	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)COc2cccc([N+](=O)[O-])c2)cc1	728837405	SCHNHYDCMRBBHJ-UHFFFAOYSA-N	411.380	3.631	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)c1	729050987	YHMGQYYACONUHW-HNNXBMFYSA-N	420.469	3.609	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCOc3cccc(Cl)c3)cc2F)CC1	730192899	PIFNSJXHGYHZGR-UHFFFAOYSA-N	419.928	3.706	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1	733973348	GBEJOGXVEDXUSR-AWEZNQCLSA-N	422.551	3.825	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)[C@H]3CCCN(c4ccccc4)C3)CC2)cc1	734666346	CHANXTBMPSUZLU-QHCPKHFHSA-N	422.573	3.974	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cc(-n3cccn3)ccn2)c(C)n1-c1ccccc1	736854330	JYYRTVVBROMGGY-UHFFFAOYSA-N	400.438	3.715	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1	742683746	RIQWJGUDWCZHTB-QGZVFWFLSA-N	409.559	3.599	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cccnc2)NC(=O)OC(C)(C)C)cc1	742752171	ZHVNZIWBEDXRGV-ZTVSIKPCSA-N	410.518	3.543	10	20	HHCD	
CC(C)c1ocnc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742754584	QTEPNBAUXRNRJZ-QGZVFWFLSA-N	416.522	3.860	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N(C)[C@H](C)c3ccc(C)cc3C)CC2)cc1	742940797	YDNNZKOSMHHQOJ-OAQYLSRUSA-N	424.589	3.837	10	20	HHCD	
C[C@@H](CCc1ccccc1F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	743313577	LTDCAWDGMBYYPQ-INIZCTEOSA-N	402.485	3.811	10	20	HHCD	
Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743623752	DQFACBPLJKOBNZ-CZUORRHYSA-N	422.476	3.792	10	20	HHCD	
C[C@@H](CCc1cccn1C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743661170	WGUGUPNJIOQPEL-IRXDYDNUSA-N	420.504	3.916	10	20	HHCD	
Cc1ccsc1CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748042610	INYSFDVVEORRAM-UHFFFAOYSA-N	408.526	3.554	10	20	HHCD	
COc1cc(C)c(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OC	751292804	ZVZTUHAGGSQYBH-LICLKQGHSA-N	414.508	3.517	10	20	HHCD	
COc1ccc(CCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1OC	751299396	LNOIFUOEVXUOKP-UHFFFAOYSA-N	402.454	3.985	10	20	HHCD	
C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	753950893	WXFNKXUNTNCYMP-QFBILLFUSA-N	413.949	3.537	10	20	HHCD	
Cc1c([N+](=O)[O-])cnc(N(C)Cc2ccc(N3CCOCC3)cc2)c1Br	753999440	HWISERAJGXATTI-UHFFFAOYSA-N	421.295	3.534	10	20	HHCD	
CCc1nc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1-c1ccccc1	754548792	GIJYXVFWNQJWDV-UHFFFAOYSA-N	422.444	3.857	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cc(OC)ccc2O)cc1	756361162	GFMQCXQGLITYGY-HOTGVXAUSA-N	406.548	3.843	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)c1	756422911	OAFOXBJCPVUVAV-OAHLLOKOSA-N	408.454	3.553	10	20	HHCD	
C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(Br)cc1O	756577081	YBAHPWQXTZNOBB-CYBMUJFWSA-N	407.308	3.958	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCCSc1nccs1	759586192	ZUDPCPLAACQBOU-FUHWJXTLSA-N	404.605	3.835	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)cc1	760957393	GDKJGSJIIULFNU-UHFFFAOYSA-N	422.529	3.894	10	20	HHCD	
Cn1c(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)nc2cc(Cl)ccc21	762379482	YJTLZUCKLYWSAE-UHFFFAOYSA-N	419.268	3.550	10	20	HHCD	
COc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc(OC)c1OC	764949103	ZUSGKNKMHWKKFK-DLBZAZTESA-N	400.519	3.961	10	20	HHCD	
O=C(CCc1ccccc1)N1CCCN(Cc2cccc(Br)c2O)CC1	769133215	JKZUOGBURNHNJC-UHFFFAOYSA-N	417.347	3.822	10	20	HHCD	
C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769669142	UPKXFFANHWMIJW-XJKSGUPXSA-N	408.545	3.905	10	20	HHCD	
C[C@@H](NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(N(C)C)cc1	773023391	XMQKASOTAGDTFR-VQIMIIECSA-N	401.551	3.967	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](O)Cc1ccccc1Cl	773193635	LNNIAPAGJAJFDA-KXBFYZLASA-N	424.875	3.630	10	20	HHCD	
C[C@@H](NC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(N(C)C)cc1	773622584	GTKCSLBGMZVQPX-GOSISDBHSA-N	409.578	3.848	10	20	HHCD	
COc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1Cl	773848503	RKAHPCAHPLLOON-NSHDSACASA-N	410.301	3.884	10	20	HHCD	
Cc1nn(C)cc1CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	773889777	OKPHSWWCWDTUQJ-UHFFFAOYSA-N	401.308	3.829	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1)c1ccc(N(C)C)cc1	773981780	FQPYVTYEWFEFIL-LLVKDONJSA-N	416.421	3.509	10	20	HHCD	
CSc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-]	776797687	LHXSKRLTUZIFEH-AWEZNQCLSA-N	401.488	3.644	10	20	HHCD	
CCCc1nc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1	777128959	SNHRGSLDXOYSTO-UHFFFAOYSA-N	400.548	3.600	10	20	HHCD	
COCCO[C@H]1COCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C	777217290	KCAJECHKURKAJP-PKTZIBPZSA-N	414.546	3.768	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1	777666128	DRFHSWXCNVGZGJ-UHFFFAOYSA-N	407.448	3.928	10	20	HHCD	
COc1cc(Cl)cc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1O	779190686	DBRAYDGCTZKLMI-CQSZACIVSA-N	424.950	3.787	10	20	HHCD	
COc1cc(N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	780774316	KTHYWNPRAXSUFA-UHFFFAOYSA-N	412.446	3.658	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NC2CCN(c3nccs3)CC2)C1	781503846	KVTMGWCQUHSVTF-GOSISDBHSA-N	406.983	3.725	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	781571411	DZHKORLVSNJEKZ-UHFFFAOYSA-N	414.462	3.940	10	20	HHCD	
O=C(COC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc(O)c(O)c1	782642549	QLSOMPDROYASQB-UHFFFAOYSA-N	404.378	3.583	10	20	HHCD	
COc1ccc(Oc2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)cc1	783683780	NNOVVHVGKDZWKT-YBEGLDIGSA-N	401.465	3.773	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2cccc(Br)c2)C1)c1cc([N+](=O)[O-])ccc1O	786952629	GHSPBTLNODNOFI-JSGCOSHPSA-N	406.280	3.992	10	20	HHCD	
COC[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1	786999979	PGUHMNGDLNEXRC-IBGZPJMESA-N	421.900	3.503	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c(O)c1	792819130	FPYSWQPOKDGZHP-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(N(C)C)cc2C(F)(F)F)cc1	792933017	WSXMSLSPNPURJJ-ZDUSSCGKSA-N	415.481	3.530	10	20	HHCD	
Cc1cc(C(=O)NCC2(S(C)(=O)=O)CCC2)c(C)n1-c1cccc(C(C)C)c1	793999263	SFLRRAMNPJLXBS-UHFFFAOYSA-N	402.560	3.915	10	20	HHCD	
Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C(=O)N1CCCCC1	797651477	SDCLNTKGWPKBOS-MRXNPFEDSA-N	411.502	3.785	10	20	HHCD	
Cc1cc(C(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)c(C)n1-c1cccc(Cl)c1	804439635	YFZJMJNKBOJOHU-YWZLYKJASA-N	401.938	3.683	10	20	HHCD	
Cc1ccc(C[C@@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)c1	805179056	PFMCSCRMGYOTKN-LJQANCHMSA-N	420.509	3.878	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(N(C)C)cc1	807677211	MSWNVJRSJCIXSQ-KRWDZBQOSA-N	418.541	3.817	10	20	HHCD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1	812561909	ZQDDAKRYWHLBOD-UHFFFAOYSA-N	417.468	3.762	10	20	HHCD	
C[C@@H](Sc1nc2c([nH]1)CCC2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	813582830	ZUYXXMJEGPHYTD-GFCCVEGCSA-N	417.490	3.793	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@H](c3nc[nH]n3)C3CCCCC3)cc2F)C[C@@H](C)O1	813854849	GFZLGUCAVLCRMG-MRUHUIDDSA-N	401.530	3.969	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ncoc3C3CC3)c2C)cc1	815327308	XSVALXJKFGCVSE-UHFFFAOYSA-N	422.437	3.786	10	20	HHCD	
CCOC(=O)N[C@H]1CCCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1	916221137	PYRJKJQJIRHSHF-FQEVSTJZSA-N	412.534	3.557	10	20	HHCD	
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2c(O)ccc3ccncc23)CC1	917452480	XDIBFEHLGOALTF-UHFFFAOYSA-N	415.415	3.917	10	20	HHCD	
C[C@H](COc1ccc(F)cc1F)NC(=O)NCc1ccc(N2CCSCC2)cc1	919921520	DMBPOSWUOIRYOY-OAHLLOKOSA-N	421.513	3.785	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1	1317742013	UVUPLBXRHMQTMZ-LJQANCHMSA-N	401.938	3.684	10	20	HHCD	
CCc1oc2ccccc2c1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	1321517940	QYNDUTRAFRNZEY-UHFFFAOYSA-N	405.498	3.594	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)CC(F)(F)F)C3)cc1	1845398462	QXMMQHPIYHIERF-UHFFFAOYSA-N	419.447	3.864	10	20	HHCD	
CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1OC	217038548	KDOGDGPGCZMUQG-UHFFFAOYSA-N	401.463	3.730	10	20	HHCD	
Cc1cn2c(-c3noc(-c4ccc(NC(=O)C5=S=CC=C5)cc4)n3)c(C)nc2s1	426550834	XOWXEIHWIVSKSX-UHFFFAOYSA-N	421.507	3.946	10	20	HHCD	
Cc1c(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)n(C)c2ccccc12	473268003	GQEOMDVQIIOGIV-LMNJBCLMSA-N	403.530	3.731	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](C)CC(C)(C)c2ccccc2)n(C)c2ccccc12	572430734	MJCMQVPIAJTNEG-QGZVFWFLSA-N	405.542	3.976	10	20	HHCD	
CN1CCCc2cc(CNCCC(=O)Nc3ccc(Br)cc3)ccc21	727644469	GCPGDTRLERSTAN-UHFFFAOYSA-N	402.336	3.950	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2cc(OC)ccc2O)c([N+](=O)[O-])c1	728908571	MYJKYONBYQGTOK-ZDUSSCGKSA-N	423.491	3.513	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	729053283	DTZMBFHJIFZTHU-OWCLPIDISA-N	421.538	3.797	10	20	HHCD	
CCOc1ccc(OC)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	729576657	ZLXJUXHOFZUOOB-UHFFFAOYSA-N	413.518	3.624	10	20	HHCD	
COc1cccc(CNC(=O)c2cnn(-c3cccc(Br)c3)c2C)c1O	730031505	UDCLWVUAEVYCQW-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
CCc1cccc2c(CCNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c[nH]c12	732241419	IPBMPICJTNFSAV-UHFFFAOYSA-N	424.520	3.748	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNCc3ccc(-c4ccc(F)cc4)o3)cc2)CC1	733330789	NKILRGULRXQOPK-UHFFFAOYSA-N	414.502	3.610	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](CN(C)C)C2)c(C)n1-c1ccc(Br)cc1	733367561	FJSYAHFPVBKNMR-INIZCTEOSA-N	404.352	3.880	10	20	HHCD	
Cc1ccc2cccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2n1	734062944	CWJCHUMDLFCELF-UHFFFAOYSA-N	408.477	3.965	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c(OC(F)F)c1	734177763	KNDLCXQDQHVKHD-OQLLNIDSSA-N	414.499	3.592	10	20	HHCD	
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	735847364	KQAUNAXEWYHSMH-VQIMIIECSA-N	417.550	3.664	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)cc1)C1CCCCC1	735878168	QCKPKUSPRFXNQZ-SANMLTNESA-N	421.585	3.709	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c2[nH]ncc12	736993228	IVGUXAYEIDRKHU-GJZGRUSLSA-N	411.481	3.946	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1cccc(Cl)c1SCC(F)F	737167858	RVXSBJAXUATFDJ-UHFFFAOYSA-N	400.834	3.658	10	20	HHCD	
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1	740905521	LUHYGJVEYWNVHZ-GOSISDBHSA-N	406.530	3.591	10	20	HHCD	
CCc1noc2ncc(C(=O)N(CC)Cc3cc(Br)ccc3O)cc12	743809217	OWVAXDRZILHWTN-UHFFFAOYSA-N	404.264	3.916	10	20	HHCD	
CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	745824884	MFTZVXQYFZUTNM-IEBWSBKVSA-N	401.551	3.884	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(CC)c2ccc(OC)cc2)sc(C(C)=O)c1C	746108774	BMLFJHAWRFSVGM-UHFFFAOYSA-N	418.515	3.909	10	20	HHCD	
O=C(COc1ccc2ccc(=O)oc2c1)Nc1c(-c2ccccn2)nc2ccccn12	751299840	QGNRESGBPUTGSM-UHFFFAOYSA-N	412.405	3.520	10	20	HHCD	
COc1ccc(-c2nnc(COC(=O)c3csc(Cc4ccc(N)cc4)n3)o2)cc1	751932104	RZTLVILLMFYPHY-UHFFFAOYSA-N	422.466	3.732	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC([C@@H]2CCOC2)CC1	753200339	VGVHRYLLFPSUTR-MSOLQXFVSA-N	423.504	3.715	10	20	HHCD	
COc1cccc(C[C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C2CC2)c1	753860807	VXBPOFSEHUXETC-QPPBQGQZSA-N	407.558	3.508	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cc(OC)ccc2O)cc1	756361165	GFMQCXQGLITYGY-JKSUJKDBSA-N	406.548	3.843	10	20	HHCD	
C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCOCC2)cc1	756933266	NGOISGGMRUHNCF-AWEZNQCLSA-N	418.881	3.645	10	20	HHCD	
CCc1nc(C)c([C@@H](C)NCCCN2CCN(c3ccc(OC)cc3)CC2)s1	764675746	JAFYGPQFVVDINM-QGZVFWFLSA-N	402.608	3.885	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCCC2)cc1	765323990	NTBAJZRRTIRZOD-WIYYLYMNSA-N	412.530	3.886	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H]3CCCOc4ccc(OC)cc43)cc2F)CC1	765853434	SKSCNCVDKXHEIW-JOCHJYFZSA-N	413.537	3.980	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnc(-c2ccccc2)nc1	768915123	JOKYQZLLTBYPAR-HXUWFJFHSA-N	422.916	3.897	10	20	HHCD	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769671318	JXXXQHRBGSVPBL-JTQLQIEISA-N	417.314	3.904	10	20	HHCD	
CCN(CC)Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1	771054583	AEMUHIVLYXFGAU-GOSISDBHSA-N	419.953	3.875	10	20	HHCD	
Cc1oc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2c1C	773213953	UTGNITQMNITCEC-IBGZPJMESA-N	422.481	3.902	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1	773749492	QFOHYOUJOLWHCJ-HNNXBMFYSA-N	400.475	3.587	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N[C@@H](c1ccccc1)c1cccs1	774750249	IFXVYBACRKRRPF-QHCPKHFHSA-N	407.539	3.919	10	20	HHCD	
Oc1c(Br)cccc1CNCc1cn(-c2ccc(F)c(Cl)c2)nn1	775153191	RKRZALIKTMTCJI-UHFFFAOYSA-N	411.662	3.818	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCCOc2cc(Cl)ccc21	775728152	PUNREPIDCPZNGK-HXUWFJFHSA-N	415.921	3.890	10	20	HHCD	
CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1nc(-c2ccncc2)no1	776132766	TWLTXVHFMASPII-BEFAXECRSA-N	408.506	3.955	10	20	HHCD	
C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccc(N2CCCCC2)cc1	777260652	JESGMBKYSPVHIC-OFVILXPXSA-N	422.617	3.617	10	20	HHCD	
C[C@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(N2CCOCC2)c(F)c1	777616760	BHULBHCMTRBKOS-HNNXBMFYSA-N	408.481	3.824	10	20	HHCD	
COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1	777665366	GPIZAAXHJDHUHD-UHFFFAOYSA-N	415.905	3.507	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N2C[C@H]3C[C@]3(CO)C2)c(C)n1-c1ccc(OC(F)F)cc1	782625912	ZZYHVYSAAGXMQX-WJONJSRFSA-N	404.457	3.581	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2)c2ccco2)cc1F	785542149	DRMDEVSHEXWJIO-QFIPXVFZSA-N	423.488	3.787	10	20	HHCD	
CCC[C@@]12CCCN1C(=O)N([C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)C2=O	794777741	QLBCJLYHUVCSSX-KKSFZXQISA-N	407.461	3.854	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)cc1)C1CCCCC1	805011420	JPYIBZZVEQXOHP-VXKWHMMOSA-N	401.551	3.545	10	20	HHCD	
C[C@@H](NCCCn1cc(Br)cn1)c1cc(Br)ccc1O	806660041	OFJBTFNXDNOEPT-SNVBAGLBSA-N	403.118	3.855	10	20	HHCD	
CC(=O)C(=O)CSc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2o1	808019241	VSCWZHVIWYQUTC-UHFFFAOYSA-N	424.887	3.532	10	20	HHCD	
CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1	812561918	ZSZMDKIKZPKIDD-UHFFFAOYSA-N	400.481	3.748	10	20	HHCD	
Cc1cccc(Br)c1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	813015599	JRMDSWHFFDUIQP-UHFFFAOYSA-N	416.319	3.712	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)CC12CCC2	813786615	QDHAADYQRPUSDW-HXUWFJFHSA-N	415.578	3.935	10	20	HHCD	
CN(Cc1cccs1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	821992311	OBNZOQNPVMDSCH-UHFFFAOYSA-N	406.419	3.704	10	20	HHCD	
Cc1cc(CC(=O)NC2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc(Cl)cc1	881443312	HHDISMGRCCPGIR-UHFFFAOYSA-N	413.949	3.807	10	20	HHCD	
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C	914613319	OCGAGKWIKLTQAY-MRXNPFEDSA-N	423.469	3.649	10	20	HHCD	
O=C(c1ccco1)N1CCC(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	915227020	LLYNSRUMDDWCFP-UHFFFAOYSA-N	412.490	3.573	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(N(C)C)cc3)cc2F)C[C@@H](C)O1	916667844	HUSIODIOGYLCRE-HZPDHXFCSA-N	400.498	3.827	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(c4ccccc4)CCCC3)cc2)C1	917832403	XPZDRUFTFKCSIX-HXUWFJFHSA-N	405.542	3.517	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCOc4ccccc4C3)cc2F)C[C@@H](C)O1	918080991	JMSLKASRIAEBMP-CALCHBBNSA-N	413.493	3.544	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc2c3c([nH]c12)CCCC3	918141469	WATROCGWJALJCI-UHFFFAOYSA-N	407.489	3.952	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(C(=O)NC(C)C)cc3C)CC2)cc1	918544721	CGIFOAQLOACWBG-UHFFFAOYSA-N	424.545	3.886	10	20	HHCD	
CCN(CC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(OC)c(OC)c1	921061837	OJGFHDVAAZFTIM-UHFFFAOYSA-N	408.882	3.839	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1	1116565462	RPPWFCKBWBGHMV-HOJAQTOUSA-N	424.541	3.713	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnn4ccncc34)c2C)cc1F	1322870489	YALBJJCVUPEBRI-UHFFFAOYSA-N	406.417	3.624	10	20	HHCD	
CC(=O)N(c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1)[C@@H]1C[C@H]1C	1324491221	KDSBBPTYKARELN-MZNJEOGPSA-N	410.537	3.951	10	20	HHCD	
CCOC(=O)Cn1ccc2cc(NC(=O)NCc3ccc(N4CC=CC4)cc3)ccc21	1339412935	BCTAJMVWZIEKBK-UHFFFAOYSA-N	418.497	3.902	10	20	HHCD	
CC(=O)N1CCC[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1	10619006	LRCLBOIAYPWBJY-FQEVSTJZSA-N	410.514	3.695	10	20	HHCD	
O=C(c1cccnc1NCc1ccc(N2CCOCC2)cc1)N1CCc2ccccc21	301380568	YTFFWKGQVYZPBI-UHFFFAOYSA-N	414.509	3.733	10	20	HHCD	
CNC(=O)c1ccc(CN(C)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc1	482879072	PTFLTGHELAPYGQ-UHFFFAOYSA-N	407.514	3.536	10	20	HHCD	
Cc1c(CNC(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)n(C)c2ccccc12	549572878	UZBNQJZJLQKBGT-UHFFFAOYSA-N	414.513	3.942	10	20	HHCD	
COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(OC)c(O)c3)SC2=S)c1	726628156	UYPXMGBDOBMOLZ-RQZCQDPDSA-N	403.481	3.824	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cc(C(F)(F)F)cnc3O)CC2)cc1	726696905	DXBSHGPCGHZCDG-UHFFFAOYSA-N	410.396	3.605	10	20	HHCD	
COc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c(F)c1	728835765	JXWQPMZCLPUILX-UHFFFAOYSA-N	407.445	3.579	10	20	HHCD	
O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N(CC(F)F)C1CC1	730237871	UFYGCVAATNBHAQ-LCYFTJDESA-N	416.540	3.986	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H](O)c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	731499290	XJUSZALBLONGRW-MHECFPHRSA-N	419.525	3.770	10	20	HHCD	
O=C1NCCc2ccc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cc21	734975487	IUDFHHLXLHYPFL-UHFFFAOYSA-N	419.915	3.550	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCN(c2ccc(F)cc2)CC1	735464524	HFZOLSFTPUZTHU-IBGZPJMESA-N	424.564	3.593	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(Br)c(F)c3)c2)CC1	739767910	HXKFQUXQLFIVRB-UHFFFAOYSA-N	420.282	3.542	10	20	HHCD	
COc1ccc(C2(CNC(=O)NCc3ccc(N4CC=CC4)cc3)CCOCC2)cc1	740910025	UDCUTDROUGSXIT-UHFFFAOYSA-N	421.541	3.619	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)N1C(=O)OC(C)(C)C	740919572	BAYLAHFABHDZHC-ROUUACIJSA-N	414.550	3.602	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ncoc1-c1ccc2c(c1)OCCO2	742046262	QYMKGZNJADGKDA-UHFFFAOYSA-N	405.454	3.643	10	20	HHCD	
CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2c(O)cccc2Cl)c1	742374113	JDYXYAUACABDLB-UHFFFAOYSA-N	418.902	3.926	10	20	HHCD	
COc1ccc(N2CCN(CCNCc3c(OC)ccc4ccccc34)CC2)cc1	742700488	NUJVODSCFWKEMH-UHFFFAOYSA-N	405.542	3.769	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cccc(NC(=O)N(C)C)c2)cc1F	743597272	BCLBSMBPIFCPGV-UHFFFAOYSA-N	415.513	3.765	10	20	HHCD	
Cc1cccc(-c2nnc(S)n2CCC(=O)NCc2c(O)ccc3c2CCCC3)c1	743719500	CTAAZEDWTUZMCU-UHFFFAOYSA-N	422.554	3.833	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1	746031551	VDKZXXCXQUNRDD-JOCHJYFZSA-N	423.517	3.955	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N(C)[C@@H]3CCCN(Cc4ccccc4)C3)ccc21	746418348	ZPMLVWBUBRFTSW-HSZRJFAPSA-N	406.574	3.875	10	20	HHCD	
CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	748309195	JGHLSBYMQWBVIA-NRFANRHFSA-N	417.500	3.581	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)C(=O)NCCCSc3nccs3)c2)CC1	749730894	ZFMZZHLHHBHVFO-UHFFFAOYSA-N	418.588	3.617	10	20	HHCD	
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1C	751302798	QPIFNYIYMLBMOT-UHFFFAOYSA-N	403.442	3.770	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCS(=O)(=O)[C@H]4CCCC[C@@H]43)c2C)c1	753692278	QZQVBZILWZKBOV-SFTDATJTSA-N	400.544	3.584	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccccc3OC(C)C)CC2)cc1F	753844168	BACGTHRVJKHSNW-UHFFFAOYSA-N	401.482	3.653	10	20	HHCD	
COc1ccc(CCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1	753970068	HXWKQKXEGYEGQK-SFHVURJKSA-N	412.530	3.741	10	20	HHCD	
Cc1cnccc1CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755080185	UJYMAYGVUQIFKS-KRWDZBQOSA-N	404.461	3.502	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1O	756457850	GZFHNOMJQRQHJM-GHMZBOCLSA-N	400.258	3.518	10	20	HHCD	
C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(Br)ccc1O	756591290	FETUCZKDUMUHMY-RIFZZMRRSA-N	419.363	3.688	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cc2c(cc1OC(F)F)OCO2	757251798	OXNQJZZBQARATL-UHFFFAOYSA-N	408.401	3.844	10	20	HHCD	
O=C(Nc1cncc(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	757913451	VDIBWDKGBIIEBN-MRXNPFEDSA-N	406.280	3.763	10	20	HHCD	
COCCOc1cc(C(=O)NCCCSc2nccs2)nc2ccccc12	759088510	FXBYACMMSYRMTG-UHFFFAOYSA-N	403.529	3.629	10	20	HHCD	
CN(C)c1cc(CNC(=O)NCCCSc2nccs2)c2ccccc2n1	759582405	DHUCSIMPYSICCK-UHFFFAOYSA-N	401.561	3.739	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(CN2C(=O)CCCC2=O)cc1	760954271	MLLLJLMSGHECES-UHFFFAOYSA-N	421.497	3.632	10	20	HHCD	
COc1ccc(N2CCC(N3C(=O)[C@H](Cc4ccccc4)N(C4CC4)C3=O)CC2)cc1	761224520	WPWCDAZEEAQCIH-QHCPKHFHSA-N	419.525	3.702	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2c(F)cccc21	764446780	NJJASXPCFJRKEF-UHFFFAOYSA-N	418.471	3.597	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)C2CC2)cc1	764538465	QHEYAVFADKQEHA-FQEVSTJZSA-N	416.566	3.730	10	20	HHCD	
Cc1c([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)nnn1-c1ccc(F)cc1	765332347	WPYGXTDBSBFLCM-IAGOWNOFSA-N	409.509	3.963	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O	767169688	IDDHSFCXFWWCHD-OAQYLSRUSA-N	400.567	3.606	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN([C@H](C)c3nccs3)CC2)cc1	768255208	AWNMCXBHQJPXRW-QGZVFWFLSA-N	401.580	3.578	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)nn(CC)c1Cl	769291373	OVIGSMFAGWSZDT-UHFFFAOYSA-N	400.704	3.995	10	20	HHCD	
CCOc1ccc(O)c(CN2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)c1	770288401	JRXCHTOHXREZRP-MRXNPFEDSA-N	405.564	3.663	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1	771822783	VCGMPGAXDGCKAO-UHFFFAOYSA-N	415.497	3.679	10	20	HHCD	
Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c(O)c1O	775170616	CIMNFFLWDQETRC-HNNXBMFYSA-N	410.239	3.522	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(I)cc2)c(C)c(C)c1O	775291508	KDCUIGBWIMXFDS-UHFFFAOYSA-N	417.268	3.723	10	20	HHCD	
Cc1cc(Br)cc(CN2CCOC[C@H]2C[C@@H](O)c2cccs2)c1O	775737768	SFBPNJXGJHYBIQ-HZPDHXFCSA-N	412.349	3.849	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1	778620880	QYOJXLNLKCBVES-OFNKIYASSA-N	406.574	3.997	10	20	HHCD	
CC(=O)N[C@@H](C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C)C(C)C	779377064	DRKPLTLLHNONMC-HXUWFJFHSA-N	422.884	3.773	10	20	HHCD	
CN(C(=O)Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1)c1ccccc1	779499248	LKUOICSPKCSFAZ-UVTDQMKNSA-N	402.450	3.955	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	779511209	PBEXPIHLXWCKKY-WJXUGBSRSA-N	409.417	3.706	10	20	HHCD	
CCOC(=O)N1CCC([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	779669511	GSSFNZZNOQJJGX-QGZVFWFLSA-N	416.566	3.684	10	20	HHCD	
CCS(=O)(=O)c1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	782694613	ZNYVYNZGNHVOIW-UHFFFAOYSA-N	403.548	3.989	10	20	HHCD	
COC(=O)c1csc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1	783484634	FUQHZXJUQORSPB-CQSZACIVSA-N	423.494	3.850	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)c(F)c1	784026595	VVHGEHDBUMQEMJ-UHFFFAOYSA-N	409.255	3.671	10	20	HHCD	
CCCNC(=O)c1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1	784107274	CRMLEEAMRUBKNH-UHFFFAOYSA-N	422.529	3.571	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC([C@H]2CCCO2)CC1	784497840	IPEJUAVPUHLCGN-HXUWFJFHSA-N	423.504	3.857	10	20	HHCD	
CC[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ncc[nH]1	785635397	SAPJVFAOOXWFQD-UQRISPGASA-N	420.585	3.720	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cccc4ccn(C)c34)CC2)cc(OC)c1OC	788311085	MQDYKFDIRIXAON-UHFFFAOYSA-N	424.501	3.558	10	20	HHCD	
O=C(O)c1cc(Br)cc(NCc2ccc(N3CCOCC3)c(F)c2)c1	789902989	SPBWMAOKBYUTJY-UHFFFAOYSA-N	409.255	3.735	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCc2cccc(Oc3ccccc3)c2)cc1F	789915572	IJGSEEJCIJCAPJ-UHFFFAOYSA-N	421.472	3.617	10	20	HHCD	
O=C(CN1CCN(Cc2c(O)ccc(Cl)c2F)CC1)Nc1ccccc1Cl	792157297	RKIQHNMPNBGCRV-UHFFFAOYSA-N	412.292	3.594	10	20	HHCD	
CC[C@@H](NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc(C)cc1O	794829959	WPYZXDCHMCRGRY-DENIHFKCSA-N	414.521	3.598	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)c1	794839272	ZKPWZEOHKJHSBG-HNNXBMFYSA-N	404.507	3.787	10	20	HHCD	
CN(C)CCOc1cc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)ccn1	796341136	PBEWYKGSGNYROG-UHFFFAOYSA-N	416.569	3.875	10	20	HHCD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799944556	CANVLCOGMFLKAQ-SOLBZPMBSA-N	409.958	3.570	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCCO[C@@H]3CCOC3)cc2Cl)C1	799947793	OFUYAEPJKRSTAE-FUHWJXTLSA-N	409.958	3.571	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@H]1CCN(c2sccc2C(=O)OC)C1=O	801594877	BRULIMHVQUZLFO-KRWDZBQOSA-N	402.516	3.648	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)c1OC	804275395	QUWRRLOMAYRACL-HUUCEWRRSA-N	416.493	3.695	10	20	HHCD	
C[C@@H]1COCC[C@H]1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	804619115	BRXYHNDBSJGBJR-IKPVCSFRSA-N	424.613	3.518	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccnc4c3ncn4C)c2C)cc1F	805670703	AIXCQCYFZNNWOW-UHFFFAOYSA-N	420.444	3.863	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N(Cc1cccc(F)c1)C1CCCC1	806280827	WDNGUSSQWIDWSW-UHFFFAOYSA-N	421.563	3.852	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc(-c3ccco3)cs2)cc1	806846943	CPUVSIJIKRSIEP-UHFFFAOYSA-N	412.515	3.846	10	20	HHCD	
C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	807190972	CMWSQODKUYHPPN-HJPURHCSSA-N	423.532	3.823	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nc2cnccc2s1	857455333	AZEMJIWUZUXLPW-GFCCVEGCSA-N	404.442	3.692	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1ccccc1OC)c1nccn1C	916228277	KIOBYBRUYWOMFR-QFIPXVFZSA-N	421.545	3.816	10	20	HHCD	
CCOC(=O)CN(C(=O)CN(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1	917019900	MBZZJOQKVRHVIK-UHFFFAOYSA-N	423.557	3.705	10	20	HHCD	
O=C(c1ccc(CSc2nc[nH]n2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	917364471	HVDCWYITGPZSPB-LJQANCHMSA-N	424.526	3.624	10	20	HHCD	
CCCCOc1ccc(OC)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	918305505	JITAMCNZQDMMNW-UHFFFAOYSA-N	413.518	3.537	10	20	HHCD	
CC[C@@H](C)NC(=O)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	918628086	WHPSWBSMFNJHIN-CYBMUJFWSA-N	420.351	3.891	10	20	HHCD	
CN(C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1)C(=O)OC(C)(C)C	918776942	FWSRZZSLSAQERO-SFHVURJKSA-N	404.555	3.541	10	20	HHCD	
Cc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c(C)n1C[C@H]1CCCO1	920471396	AEWRFIZXPVNWEV-LSCADSNKSA-N	419.616	3.579	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(OCC(F)F)ccn1	1116506906	ABKCFYGIJMETQF-UHFFFAOYSA-N	406.477	3.912	10	20	HHCD	
Cc1cnn(CC2CC2)c1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	1318767443	MUAURXBARFSEDT-IYBDPMFKSA-N	415.513	3.676	10	20	HHCD	
CC(C)n1ncc2c1[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CCC2	1320383077	CQBXHPBTUBVGFY-VQTJNVASSA-N	412.534	3.938	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1)c1cc(O)nc(O)c1	1788427708	FVFWCOIBLRWESQ-HNNXBMFYSA-N	407.470	3.597	10	20	HHCD	
Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1-c1ccc(Cl)cc1	25457689	DBXRDFAIABXUBH-UHFFFAOYSA-N	424.932	3.943	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1F	303404010	RWUNAXIGOBZOMZ-NRFANRHFSA-N	403.473	3.686	10	20	HHCD	
CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	726432779	VJZQWYGGXBEDNN-LBPRGKRZSA-N	420.494	3.501	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1=Cc2ccccc2OC1	726565787	USWULNOSTWYOMQ-UHFFFAOYSA-N	400.425	3.849	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)c2C)c1	726622516	KOHRWOQWLZSBJH-INIZCTEOSA-N	411.527	3.541	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)c2C)cc1	726663158	IPICTXVJQHVYOM-UHFFFAOYSA-N	424.457	3.668	10	20	HHCD	
CCC(CC)[C@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)N1CCCC1	726704204	OQXWQQAYARHMPZ-QHCPKHFHSA-N	416.610	3.864	10	20	HHCD	
COCCN(Cc1cccs1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	726715113	IHPYWHRKQGQCAA-UHFFFAOYSA-N	403.548	3.584	10	20	HHCD	
Cc1cc(C(=O)[C@@H](C)N2CCCC[C@H]2C(N)=O)c(C)n1-c1ccc(OC(F)F)cc1	727239052	XPNMUIIBOJJHAX-BEFAXECRSA-N	419.472	3.607	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccccc2OC)cs1	727249697	CGNRUZRFMVWCNH-UHFFFAOYSA-N	422.459	3.545	10	20	HHCD	
CC(=O)N[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1c(F)cccc1F	727303898	XYOYDGAYCHDGSH-OAQYLSRUSA-N	415.484	3.789	10	20	HHCD	
CSCc1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	727595353	BAOACXBAGWAGQD-GOSISDBHSA-N	412.559	3.573	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)cc1	727785538	FOXLLAAIGPGOOD-KRWDZBQOSA-N	415.456	3.655	10	20	HHCD	
CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)C1CCCCC1	728516191	MKRSGVZCPXBRSG-NRFANRHFSA-N	406.592	3.675	10	20	HHCD	
C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	729051045	OKFJKMSBRPHYFQ-HNNXBMFYSA-N	420.479	3.758	10	20	HHCD	
CCCCN(C)c1ccc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1	730681310	QIWQXPXEWFCTLF-UHFFFAOYSA-N	410.562	3.976	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1F	731363613	GKHOHJSEUZKANX-OAQYLSRUSA-N	404.505	3.913	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)cc3F)cc2F)C[C@@H](C)O1	732674536	NYLLOIQPUCDQGA-GASCZTMLSA-N	421.463	3.759	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1	732892499	CTSLHYJQJBKEHL-HXUWFJFHSA-N	412.509	3.619	10	20	HHCD	
COC(=O)[C@H](C)CN(C)C(=O)c1cc(C)n(-c2ccccc2Br)c1C	733170471	NJQWGUSAHCPCQU-GFCCVEGCSA-N	407.308	3.738	10	20	HHCD	
CC(C)c1cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)on1	734008597	HCTNQMIYMLOZQI-GASCZTMLSA-N	404.486	3.550	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1	734687290	SPZUYHINCCTZMB-UHFFFAOYSA-N	400.954	3.742	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)cc1	734866561	CIWPTWIMHIINSQ-PXNSSMCTSA-N	401.457	3.798	10	20	HHCD	
CSC[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	736050641	FPAUKMPGJPFVQM-NASPGAHYSA-N	400.616	3.597	10	20	HHCD	
O=C(CCSCc1nc(O)c2ccccc2n1)NCCCSc1nccs1	739731169	NFQHYXKFFFDDSO-UHFFFAOYSA-N	420.585	3.714	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	741177853	RCOVILZZMWKCMH-OAQYLSRUSA-N	416.610	3.957	10	20	HHCD	
COc1ccc(N2CCN(CCNCc3ccccc3N3CCCCC3)CC2)cc1	742700471	LLMCPJNIHPHDFG-UHFFFAOYSA-N	408.590	3.597	10	20	HHCD	
COC[C@](C)(O)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	745318937	PSKPJOOIMUEXPV-IBGZPJMESA-N	414.285	3.524	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1	746751525	QPVCKLYVHZZRHO-UHFFFAOYSA-N	416.566	3.828	10	20	HHCD	
CCCN(C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H]1CCS(=O)(=O)C1	747556336	UIJLBCKCEDRBDI-FQEVSTJZSA-N	422.978	3.716	10	20	HHCD	
CCN(c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1)C(C)C	749265369	HIZFWMAHHXTTEJ-UHFFFAOYSA-N	413.537	3.952	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCc4ccc(S(N)(=O)=O)cc43)c2C)c1	749397034	SYSVUUIKSZAKMH-UHFFFAOYSA-N	423.538	3.561	10	20	HHCD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C\c1nc2ccccc2c(=O)n1CC(=O)O	752886730	WJQRIOZGJURXLP-QXMHVHEDSA-N	420.856	3.799	10	20	HHCD	
COC(=O)CN(Cc1ccn(-c2ccc(F)cc2F)n1)Cc1cc(Cl)ccc1O	753749839	ZXZKMWBOFVODOX-UHFFFAOYSA-N	421.831	3.685	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(Oc2ccccc2Cl)CC1	754352086	NDVABUGMPWKQOP-UHFFFAOYSA-N	415.965	3.908	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc([N+](=O)[O-])ccc1O	756539010	GXTRNOHFRGRAGX-OCCSQVGLSA-N	406.280	3.992	10	20	HHCD	
COc1ccc(C[C@@H](CO)CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1O	756764507	INDPTMNUOUTRLK-HXUWFJFHSA-N	422.525	3.698	10	20	HHCD	
CNC(=O)CCOc1ccc(N[C@H](C)c2cc(Br)c(F)cc2O)cc1	757595557	VWFOKILOJYNXSW-LLVKDONJSA-N	411.271	3.982	10	20	HHCD	
C[C@H](NC(=O)NCc1nnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)cc1	760166472	LILPMDSSSDURLE-INIZCTEOSA-N	423.542	3.602	10	20	HHCD	
CC[C@H](C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)c1ccc(F)cc1	763382217	LVITUBFXCFQIKU-QHCPKHFHSA-N	413.537	3.656	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc(F)ccc1Br	765736480	MFAPURRINSEWSZ-UHFFFAOYSA-N	403.045	3.986	10	20	HHCD	
COc1cc(OC)c(OC)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	766143789	DDVPWDAIJIUGJO-INIZCTEOSA-N	416.474	3.631	10	20	HHCD	
CCOc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-]	768093635	PEIMIWWZHJQBPK-OAHLLOKOSA-N	403.454	3.820	10	20	HHCD	
CCN1CCN(c2ccc(CNCc3ccc4c(c3)COC(C)(C)O4)cc2F)CC1	768686692	OGVSPBQPTZPQKW-UHFFFAOYSA-N	413.537	3.903	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769195290	NBVHNKHVBMXQGR-SFHVURJKSA-N	418.538	3.932	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1C	771067196	SDZLHGPECBABGW-LJQANCHMSA-N	415.921	3.707	10	20	HHCD	
Cc1nc(-c2cc3c(s2)CCN(Cc2cc4c(cc2O)OC[C@H]4O)C3)cs1	771624102	WMISGFFYZFBMNK-QGZVFWFLSA-N	400.525	3.870	10	20	HHCD	
COc1cccc(OC)c1S(=O)(=O)NCc1ccc(N(C)C2CCCCC2)cc1	772507978	GGHWHHUAZQKNHH-UHFFFAOYSA-N	418.559	3.951	10	20	HHCD	
COC(=O)C[C@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCO1	772710071	YCTNCKQFLZWSHV-SFHVURJKSA-N	410.474	3.572	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)c1	773046913	HCYIYRMJFHAOCV-WBVHZDCISA-N	408.502	3.886	10	20	HHCD	
CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774483854	MCVUAAGPKQMYHJ-LSDHHAIUSA-N	403.548	3.977	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1O	775061077	QJYWTNPXMKYLAX-SLFFLAALSA-N	411.502	3.699	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccc(F)cc2C(F)(F)F)c1	775376713	YMNMCASSVKKQLL-LLVKDONJSA-N	400.372	3.526	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CS[C@H](C)c3nc4ccccc4o3)CC2)cc1	778050926	QOQINARGDAQNQR-MRXNPFEDSA-N	411.527	3.979	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(Oc2ccc(Br)cc2)nc1	778926165	SWFFWFKVJFPZRA-UHFFFAOYSA-N	415.243	3.978	10	20	HHCD	
CCOC(=O)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C)c1C	779187063	YMIZKWANDULJOV-QFIPXVFZSA-N	400.494	3.673	10	20	HHCD	
CC(C)(C)OC(=O)N1CC=C(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1	779676771	LUJCDMIJVNIBHF-UHFFFAOYSA-N	415.534	3.637	10	20	HHCD	
COC(=O)c1sccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1	783484449	CQMHKPHZIWLYCU-CQSZACIVSA-N	423.494	3.850	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCCN(c3ncccc3F)CC2)c1O	783979042	GPBUEJREGFJXDQ-UHFFFAOYSA-N	421.472	3.575	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2	785981928	XWEKHWFTYBZEHR-QHCPKHFHSA-N	411.502	3.637	10	20	HHCD	
Oc1cc2c(cc1CN1CCCN(c3nnc(C(F)(F)F)s3)CC1)CCCC2	786107991	ZXTZZFFRZBLSPF-UHFFFAOYSA-N	412.481	3.854	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3cc(C(C)(C)C)nn3-c3ncccn3)ccc21	789265599	POHKKMANQPHEEG-UHFFFAOYSA-N	419.533	3.664	10	20	HHCD	
Cc1cc(C(=O)OCc2nnc(-c3ccc(F)cc3)n2C)c(C)n1-c1ccccn1	789715451	IYATZSIXYZMZQK-UHFFFAOYSA-N	405.433	3.781	10	20	HHCD	
Cc1cc(C(=O)N2CCOCC2)ccc1NCc1cccc(Br)c1O	789890995	RNESOCLBYUAVQB-UHFFFAOYSA-N	405.292	3.548	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1	790954124	RLRVYCMDMTXCOI-ZWOKBUDYSA-N	406.530	3.557	10	20	HHCD	
CC[C@@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	797088881	YZACXQPEAHJZKJ-DSZSVDOYSA-N	414.377	3.823	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCC[S@](=O)C(C)(C)C)cc2Cl)C1	799930157	MYGLLPLJDBWJAS-RXAIFQJESA-N	414.015	3.923	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3ccccc3C(N)=O)cc2Cl)C1	800050527	XDGMZCDMWCEXES-MRXNPFEDSA-N	413.949	3.924	10	20	HHCD	
CCCCN(CC(=O)N1CCc2cc(OC)c(OC)cc2C1)Cc1ccccc1O	801595566	OCPIBPWDOILFGI-UHFFFAOYSA-N	412.530	3.596	10	20	HHCD	
O=C(N[C@H]1CCCc2sccc21)C(=O)N(Cc1ccco1)Cc1ccccc1O	804384943	IVQNDCMYJHFGHS-SFHVURJKSA-N	410.495	3.769	10	20	HHCD	
CCC(CC)C(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	804936809	PLSONHBTSKJDMT-UHFFFAOYSA-N	416.349	3.925	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(C)c1OC	806549694	UUEKUWOAZFNPBW-MHWRWJLKSA-N	408.589	3.801	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H]1CCCCC1(C)C	806877064	MFWOQQPFABJPJC-INIZCTEOSA-N	411.340	3.588	10	20	HHCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](C)[S@]1=O	807331439	JSVFNQACYWVCBP-YOCHRMAFSA-N	412.515	3.799	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(C(F)(F)F)c1	807511680	SLZZWQMJMHVIHP-UHFFFAOYSA-N	407.175	3.973	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1	807543782	RVRWDDMFWCHRDR-FGZHOGPDSA-N	407.558	3.944	10	20	HHCD	
COc1ccc(C[C@](C)(O)CN[C@H](C)c2ccc(Br)cc2O)cc1OC	810254381	CTWFWDNPNUKPEK-XCLFUZPHSA-N	424.335	3.816	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCSC2)NC(=O)OC(C)(C)C)cc1	810447366	NKEQZEFFBGMGHX-WMZOPIPTSA-N	407.580	3.578	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@H]2C)cc1	815593537	PLFGVFNSMQEHAE-IIBYNOLFSA-N	423.513	3.531	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCCn3ccc4ccccc43)CC2)cc1	918001244	HSUKGLALJWBARM-UHFFFAOYSA-N	406.530	3.962	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3cccnc3OC3CCCC3)CC2)cc1	918064001	DTFQDFRODCYQKY-UHFFFAOYSA-N	424.545	3.834	10	20	HHCD	
CCN(CC)Cc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	918456435	KCVSPUBLTWDWOB-UHFFFAOYSA-N	422.573	3.724	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1	919653128	WQIATTGPEZPXPI-UHFFFAOYSA-N	410.449	3.818	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1	919992046	QGQONZLAPCDYAG-FQEVSTJZSA-N	422.554	3.858	10	20	HHCD	
C[C@H](NCc1ccccc1N1CCN(C)CC1)c1ccc(Br)cc1O	1320119254	YVFDWWXRADUYJB-HNNXBMFYSA-N	404.352	3.757	10	20	HHCD	
COc1cccc2cc(CNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)oc12	1326128130	DDBXNAQPGZNDRL-UHFFFAOYSA-N	409.486	3.620	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](Nc3ccc4nnc(C5CC5)n4n3)C2)cc1	301415510	ARNITPHDLADLHM-AWEZNQCLSA-N	400.433	3.684	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)nc(O)n2C1CCCC1	437010400	POVXKSDCGNMTPA-UHFFFAOYSA-N	406.486	3.962	10	20	HHCD	
CC1CCN(c2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2[N+](=O)[O-])CC1	437024293	KDCIXMAEJCUHGT-UHFFFAOYSA-N	424.501	3.936	10	20	HHCD	
COc1ccc(C(=O)N[C@@H](C(=O)NCc2c(C)c3ccccc3n2C)C(C)C)cc1	471232161	SPSJNZDONSCLRH-JOCHJYFZSA-N	407.514	3.566	10	20	HHCD	
Cc1c(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n(C)c2ccccc12	471233165	HZBPDCOMZMZMMK-GOSISDBHSA-N	407.489	3.794	10	20	HHCD	
CC[C@@H](CC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1	728858097	GGKNYOXBEASCBV-NRFANRHFSA-N	409.574	3.907	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)c1	728979264	DLHRXTVTTMGKAY-AWEZNQCLSA-N	411.454	3.634	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c1	728982675	OLLXKDNRUIAHQL-AWEZNQCLSA-N	410.495	3.883	10	20	HHCD	
COc1cc(Cl)ccc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	730913258	FDNAIPNBYINCDO-GOSISDBHSA-N	404.894	3.945	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc1	732910975	MMCONSYPYSZTII-UHFFFAOYSA-N	412.496	3.805	10	20	HHCD	
CCOC(=O)Cn1ccc2cc(NC(=O)NCc3ccc(N(C)C)c(F)c3)ccc21	733631525	INAXXUATTMKPEN-UHFFFAOYSA-N	412.465	3.731	10	20	HHCD	
O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1nc(C2CCOCC2)no1	733742186	NRVMLJGPFFNLKX-KAMYIIQDSA-N	421.569	3.859	10	20	HHCD	
COc1ccc(O)c(CNC(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)c1	734016216	IFPLSVQCCYMHQF-UHFFFAOYSA-N	407.514	3.820	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1	734687243	POOSMUKPZVNJKD-UHFFFAOYSA-N	422.360	3.795	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(O[C@H]4CCOC4)cc3)CC2)cc1	740459667	MXEBCXADBDVJAR-QFIPXVFZSA-N	411.502	3.653	10	20	HHCD	
CCCCNC(=O)c1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1	740908026	VMTPSHLCBWXXRF-UHFFFAOYSA-N	406.530	3.592	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(N2CCCC2=O)c1	740910456	QOPXRJIQHWPSGX-SFHVURJKSA-N	404.514	3.750	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1F	741214963	UFMLCXSMQJNNNF-IBGZPJMESA-N	420.573	3.756	10	20	HHCD	
Cc1cccc(NC2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1	741408412	GJMLSEUJPZBQCE-UHFFFAOYSA-N	408.546	3.618	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1F	742229865	FKAAEVUOEOEVDQ-SFHVURJKSA-N	415.509	3.816	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CC(c2ccccc2)=NO1	742801795	SMLAYLQMYHCTHI-OXJNMPFZSA-N	415.440	3.566	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@]34CCc3ccccc34)cc2F)C[C@@H](C)O1	743315499	WZJXAPNOIPUZOU-KQOYFTNGSA-N	408.517	3.960	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)C2CC2)cc1	743895917	PFOZRBYJQVYHMS-UHFFFAOYSA-N	409.534	3.584	10	20	HHCD	
CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	745183000	KVGLGRXGIUHLMJ-INIZCTEOSA-N	415.509	3.746	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O	745846678	JAIJYJUCNSXJPH-IBGZPJMESA-N	414.937	3.743	10	20	HHCD	
Cc1nc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)sc1C	748039886	SUJJGGXFFRJFKP-UHFFFAOYSA-N	409.514	3.580	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CNC3(c4ccc(Cl)c(Cl)c4)CC3)nc12	748803532	XXDPYNXYBSKWNO-UHFFFAOYSA-N	421.284	3.697	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(=O)oc2ccccc12	750609753	LBMZXPNEOAWMGV-GASCZTMLSA-N	424.472	3.784	10	20	HHCD	
COc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Br	751294436	NYVIMXHPFQVFQL-INIZCTEOSA-N	420.303	3.985	10	20	HHCD	
COc1cc(C)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1OC	751356181	OQZAHPNNNXRUIP-UHFFFAOYSA-N	405.516	3.851	10	20	HHCD	
CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C	754649381	CYIZVQILIPRUAY-MRXNPFEDSA-N	422.616	3.754	10	20	HHCD	
COc1cc(C[C@H](CO)CN[C@H](C)c2ccc(Br)cc2O)cc(OC)c1	756636426	JIZQTNVHYDRJKX-HIFRSBDPSA-N	424.335	3.674	10	20	HHCD	
C[C@H](N[C@H]1CCCC[C@@H]1N1CCOCC1)c1cc(Br)c(F)cc1O	756659960	QUBCEJQYMBMYQW-ZLIFDBKOSA-N	401.320	3.588	10	20	HHCD	
CC[C@@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccn(C)n1	756875216	UKLHTJIWBZNHOO-QUCCMNQESA-N	401.555	3.793	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1)C1CCCCC1	756930096	VEYJFMNDRJHYGD-YADHBBJMSA-N	401.551	3.545	10	20	HHCD	
C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	758543030	FIQXXCSFHXEKRN-WMZOPIPTSA-N	424.536	3.629	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc(F)c4cccnc34)CC2)cc(OC)c1OC	759873155	QVZSHNPNNLRPMS-UHFFFAOYSA-N	411.477	3.722	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3C[C@H](C)O[C@H](c4ccsc4)C3)CC2)cc1	760162920	CRDHSLUZIWXBEY-KKSFZXQISA-N	415.559	3.897	10	20	HHCD	
CO[C@@H](c1ccc(F)cc1)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	762286050	BOWHIXDDYAAUHS-CWTRNNRKSA-N	406.841	3.725	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1	764894073	CBPNJTIODMVSJS-OAQYLSRUSA-N	408.608	3.873	10	20	HHCD	
C[C@@H](Cc1ccsc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765279538	HMYZAZPRYXFTOI-KRWDZBQOSA-N	411.550	3.725	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@@H](C)c3cccc(OC(F)F)c3)CC2)cc1	765401550	MACIEVKKCCCHTE-KRWDZBQOSA-N	405.489	3.769	10	20	HHCD	
Cc1ccc(Cl)c(S(=O)(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c1	765544465	XYSTWBWLADBTHT-UHFFFAOYSA-N	404.923	3.760	10	20	HHCD	
C[C@H](NCCCNC(=O)c1cccc(Br)c1)c1ccc(N(C)C)cc1	765578707	YOPYOYZQFMPZPS-HNNXBMFYSA-N	404.352	3.986	10	20	HHCD	
FC(F)Oc1ccc(N2CCC(NC3CCN(Cc4ccncc4)CC3)CC2)cc1	765644011	XYXPFZDUJWLBOY-UHFFFAOYSA-N	416.516	3.906	10	20	HHCD	
O=C(NCCc1nc2c(s1)CCCC2)NCc1ccc(N2CCSCC2)cc1	765660173	UDQZQEUOXNCPHV-UHFFFAOYSA-N	416.616	3.617	10	20	HHCD	
Cc1ccc(-n2ncc(C(=O)NCc3cccc(Br)c3O)c2C)cc1	765731250	IPYPARIAHFHRBU-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CCC2	765923285	JMEHITLJNXGSOV-NRFANRHFSA-N	411.550	3.520	10	20	HHCD	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)ccc21	767677294	ZSKNFUXLJRZYRP-UHFFFAOYSA-N	419.459	3.678	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1	768033140	DMKIWFGDJOPVEQ-UHFFFAOYSA-N	424.476	3.612	10	20	HHCD	
O=C(Nc1ccc(F)cc1)NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	768882713	QWOBWWRRKCZTRA-UHFFFAOYSA-N	422.844	3.879	10	20	HHCD	
O=C(COC(=O)c1ccoc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O	768963016	OYOMBPCTNJHBFL-UHFFFAOYSA-N	409.781	3.504	10	20	HHCD	
O=C(NCCc1cccs1)C1CCN(Cc2cccc(Br)c2O)CC1	769168435	FUSYSRRZKRPCDK-UHFFFAOYSA-N	423.376	3.787	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@@H](OC)c3ccc(F)cc3)CC2)cc1F	770832101	TVDUVHMBMPOICT-YCRPNKLZSA-N	419.472	3.581	10	20	HHCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(N2CCN(C)CC2)cc1	771518733	VRINBRFDIYPITJ-JXAWBTAJSA-N	406.555	3.771	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(N(C)C)cc1	773611861	AJRYOXWIWRYNGJ-BFUOFWGJSA-N	418.900	3.711	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@H](C2OCCO2)C1	774381852	LLOUFDHPSHFSMY-INIZCTEOSA-N	408.458	3.652	10	20	HHCD	
COc1cccc(OC)c1S(=O)(=O)Nc1nc(-c2sc(C)nc2C)cs1	775152105	WNUJGODQKKVUMT-UHFFFAOYSA-N	411.530	3.701	10	20	HHCD	
C[C@@H](NCCCCCn1nnc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1	775258762	ATPDVADHJRKNSV-HXUWFJFHSA-N	420.561	3.698	10	20	HHCD	
Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775646890	PTBOBHKIWXLMOP-UHFFFAOYSA-N	405.901	3.558	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCc4nnc(O)cc4C3)c2C)c1	775776884	JYCSHVXLJOYJDF-UHFFFAOYSA-N	408.527	3.553	10	20	HHCD	
CN(Cc1ccccc1Br)C(=O)CCNCc1cccc(Cl)c1O	776173892	CPZRKXXXYOTEAM-UHFFFAOYSA-N	411.727	3.946	10	20	HHCD	
CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2cc(Br)cc(OC)c2O)C1	776810169	XGHIAACVTPLSBA-CHWSQXEVSA-N	415.328	3.510	10	20	HHCD	
CC[C@H](C)n1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C	777947167	OZUHLCFSWMVASH-XIRDDKMYSA-N	402.514	3.845	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H](COc2ccccc2)C1	779982498	ZIFXRCFNBDGIFE-HXUWFJFHSA-N	411.571	3.850	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)C2CC2)cc1	780324515	FVOVULRWCOHKPA-GBXCKJPGSA-N	413.562	3.891	10	20	HHCD	
COCCn1cc2c(n1)[C@H](NC(=O)c1cc(C)n(-c3ccc(F)cc3)c1C)CCC2	780434744	RAOKDSQRTBWWAI-OAQYLSRUSA-N	410.493	3.884	10	20	HHCD	
CSc1ccccc1S(=O)(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	780712881	DPLHOMLCEAVAPW-GJZGRUSLSA-N	424.563	3.640	10	20	HHCD	
COC1CCC(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1	780810325	XTWLTQOOWRKKIP-LYBXBRPPSA-N	419.566	3.640	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCCCCC3)cc1	789376880	BIXRNIJQUQDERC-UHFFFAOYSA-N	414.575	3.903	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCC2CCOCC2)cc1	789838461	DNDXNOXHFUFGCB-OAHLLOKOSA-N	400.475	3.656	10	20	HHCD	
C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1cc(Br)cc(Cl)c1O	797102619	QULQVZAKKZDAMB-JTQLQIEISA-N	410.761	3.816	10	20	HHCD	
C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C1=O	797138152	VUMWCUJKAGAAIT-WTNAPCKOSA-N	405.498	3.752	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc2c1CN(c1ccccn1)C2	797638289	PYHGQRNLERTXDS-OAHLLOKOSA-N	404.470	3.766	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(CS(C)(=O)=O)o3)cc2Cl)C1	800050377	UVGBKPLHYKPWHR-CQSZACIVSA-N	424.950	3.644	10	20	HHCD	
COc1ccc(O)c(CNCc2ccc(I)c(Cl)c2)c1	800535779	GURRTOFQAUUPCT-UHFFFAOYSA-N	403.647	3.949	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCC(C)(C)c1cccc(Cl)c1)c1ccc(N(C)C)cc1	803700033	ZUZWSNHQNTWWIT-HNNXBMFYSA-N	401.938	3.677	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N3CCCCC[C@H]3CC(C)C)CC2)cc1	804317052	RKPKEYRJPFWXGB-NRFANRHFSA-N	415.578	3.598	10	20	HHCD	
CC[C@@H]1CN(C(=O)c2ccccc2SCc2csc(C)n2)C[C@@H](C)S1(=O)=O	805398405	JGVHUTVEBGHVID-CZUORRHYSA-N	424.613	3.782	10	20	HHCD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	806324532	IPFIDFTXCRIBBF-UHFFFAOYSA-N	420.509	3.982	10	20	HHCD	
CC[C@H](C)Oc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1	807387620	PNUVFSANUKOOPY-LBPRGKRZSA-N	421.291	3.587	10	20	HHCD	
CC(C)(C)[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1	808085013	SYNPDJIYOOMXNR-NQIIRXRSSA-N	416.562	3.763	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@@H](c2cccc(Cl)c2)CC1=O	812278858	QAAGGDBLDBDGDS-FQEVSTJZSA-N	413.949	3.582	10	20	HHCD	
C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)C1=O	815156152	VZYJYHOACOJKKT-SJCJKPOMSA-N	421.856	3.935	10	20	HHCD	
NC(=O)[C@@H]1CCCN(Cc2cccc(CNCc3ccc4ccccc4c3O)c2)C1	816549542	QWHDXLXKRPFZRJ-JOCHJYFZSA-N	403.526	3.533	10	20	HHCD	
COc1ccc(OC)c(NC(=N)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	849069296	BCMWPVPVGIHTFV-GJZGRUSLSA-N	416.497	3.593	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1	914880250	ZIWKXSKJWXWPSY-MRXNPFEDSA-N	401.938	3.963	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916607802	SUGLOJGNUWLYKA-GOTSBHOMSA-N	423.557	3.747	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)cc1	916677907	UXOGDFIDGNVGOH-UHFFFAOYSA-N	424.545	3.856	10	20	HHCD	
O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2nonc12	917084017	NUZYHEUEUOPZGN-UHFFFAOYSA-N	423.351	3.599	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)n2)cc1	917845148	SLDMBPCAVCWJAX-UHFFFAOYSA-N	401.513	3.621	10	20	HHCD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	919968972	UHTCLJAWABPBGD-INIZCTEOSA-N	402.922	3.632	10	20	HHCD	
Cc1c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)sc2cccc(F)c12	1319060321	BLBLZYYJVQCDLS-UHFFFAOYSA-N	420.531	3.664	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@H](c3ccccc3Cl)N(C)C)cc2F)CC1	1322602692	YKNZMTICEMKPAL-JOCHJYFZSA-N	404.961	3.623	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCc1nc(Cc2ccccc2)no1	1346637640	AJTHHTLOUHMQTH-UHFFFAOYSA-N	408.502	3.920	10	20	HHCD	
O=C(Nc1c(Cl)ccc2nonc12)c1csc(I)c1	1346941121	NZAIHULVQICYDF-UHFFFAOYSA-N	405.604	3.795	10	20	HHCD	
Cc1cc(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)c(C)n1-c1cccc(C(C)C)c1	1348075560	LZZMJUPQVLWEAO-UHFFFAOYSA-N	424.545	3.668	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)c3ccco3)c2C)c1	5230448	BMRWEUIRNZWIPS-KRWDZBQOSA-N	422.481	3.848	10	20	HHCD	
C[C@@H](NC(=O)NCCc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)cc1	65435482	HEDWCBYCSRBUFO-MRXNPFEDSA-N	419.472	3.728	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(C)nc(C(C)C)nc3SC)CC2)cc1	97119295	VDPZBCPWZZMSNT-UHFFFAOYSA-N	400.548	3.601	10	20	HHCD	
Cc1c(CNC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)n(C)c2ccccc12	409608764	QLILIQKPGXXBQD-OAQYLSRUSA-N	414.509	3.889	10	20	HHCD	
Cc1c(CNC(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)n(C)c2ccccc12	463919926	AFVLTGZQLBYSQG-UHFFFAOYSA-N	419.485	3.643	10	20	HHCD	
CCn1ccnc1[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)C1CCOCC1	554145293	UIFRERSSBTWOTC-NRFANRHFSA-N	409.534	3.670	10	20	HHCD	
COc1ccc(C2(NC(=O)c3cc(C)n(-c4ccccn4)c3C)CCOCC2)cc1	725722063	OSYWCJDZWMNVRW-UHFFFAOYSA-N	405.498	3.933	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)n2)s1	727246535	MLPFVHYIEXSQCB-UHFFFAOYSA-N	405.530	3.571	10	20	HHCD	
Cn1c(Cl)nc(Cl)c1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O	728440004	QYJYPMQPTCEMNU-POHAHGRESA-N	414.295	3.831	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nc(-c2cccnc2)no1	729593840	NWFBNRIPILSOLL-HXUWFJFHSA-N	420.517	3.928	10	20	HHCD	
CNC(=O)c1ccc(OC)c(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731105219	BUHLBHSLAGSEBM-UHFFFAOYSA-N	410.518	3.613	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2cc(OC)c(OC)cc2OC)cc1F	731363586	JIKRDVGGELHRMM-UHFFFAOYSA-N	419.497	3.697	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1F	731364200	HXGXHAZKJLWHSY-QGZVFWFLSA-N	401.482	3.653	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCC[S@](=O)Cc3ccccc3)c2C)cc1	731881970	MVXVPUFYNWWFRE-LJAQVGFWSA-N	410.539	3.781	10	20	HHCD	
COCCOc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1	735328498	BXVPFLCSQYSJND-VCHYOVAHSA-N	415.492	3.846	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl	741100057	QZVGVSYWFAHXTI-UHFFFAOYSA-N	423.822	3.990	10	20	HHCD	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1	742573268	KCXOKUDQQGUXBK-UHFFFAOYSA-N	410.905	3.601	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2)NC(=O)OC(C)(C)C)cc1	742755939	ZURUIJPTFDVBOH-FQEVSTJZSA-N	413.518	3.514	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC1CCN(CCc2ccccc2)CC1	743536778	OQXMFHQXRVQBDB-UHFFFAOYSA-N	407.558	3.777	10	20	HHCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(N2CCOC2=O)c1	743569959	RHXNAQFPNNREBD-HNNXBMFYSA-N	409.486	3.788	10	20	HHCD	
COc1ccc(O[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1	745898767	BDZGDUCLDPAHNF-LAUBAEHRSA-N	414.502	3.559	10	20	HHCD	
CCOc1ccc(N(CC)CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc1	746159668	YKEOHVYHKWOLBG-UHFFFAOYSA-N	410.562	3.692	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H](c3ccccc3)n3cccn3)cc2F)C[C@@H](C)O1	747643167	ZDFDOXKXECNMRO-PNCHPQGNSA-N	422.504	3.542	10	20	HHCD	
CCc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)s1	748027859	QWLXGBVYFIPXLM-UHFFFAOYSA-N	422.553	3.808	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c1	749544134	OEDVDPCGNYPSBR-LJQANCHMSA-N	424.522	3.520	10	20	HHCD	
Cc1ccc(-n2c(C)cc(-c3csc(Cn4ccc(O)nc4=O)n3)c2C)cc1F	749846665	ZIFHNTDJPHLERQ-UHFFFAOYSA-N	410.474	3.976	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2cnn(C)c2C)cc1	759040696	KCLAMQJLJHYZHJ-UHFFFAOYSA-N	406.530	3.969	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1	759218568	RKEYBAZZBSZDNX-INIZCTEOSA-N	403.523	3.515	10	20	HHCD	
Cc1c(Cl)cc(F)c(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1F	761925378	USJXOKCWDUYUCP-UHFFFAOYSA-N	407.848	3.564	10	20	HHCD	
CCO[C@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C12CCC2	764353113	KYTKDYYKDDULEW-RTWAWAEBSA-N	401.551	3.653	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)C[C@H](c3ccccc3)N(C)C)cc2F)C[C@@H](C)O1	764382260	NSCSKDPHACZEJE-PMAPCBKXSA-N	413.537	3.749	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccnc3OCC(F)F)CC2)cc1	766500956	QTJQPXPQRMSXES-UHFFFAOYSA-N	406.433	3.525	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)C2CC2)cc1	767058530	WIYZRCITIVCDBN-UHFFFAOYSA-N	419.525	3.791	10	20	HHCD	
O=C(CCS(=O)(=O)N(Cc1ccccc1O)C1CCCC1)OCc1ccccc1	767262321	IBLTWKJGKOIKLP-UHFFFAOYSA-N	417.527	3.600	10	20	HHCD	
C[C@H](Nc1ccc2c(c1)COC2)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	768302541	IAQRFMMUOYEOAE-AWEZNQCLSA-N	412.445	3.931	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1c(F)cccc1Cl	769558580	FUKLTDYYWPRRBL-UHFFFAOYSA-N	405.901	3.712	10	20	HHCD	
Cc1cnc([C@@H](C)OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)o1	770908255	IYRSSVPBIOJITN-LLVKDONJSA-N	406.350	3.585	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc([C@H]4CCCC(C)(C)C4)n3)CC2)cc1	771065980	HJAFDUXBYBSLKP-KRWDZBQOSA-N	412.534	3.653	10	20	HHCD	
CN(C)C(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(Cl)c1	772221947	PZTBCAIITWKFPS-UHFFFAOYSA-N	400.910	3.964	10	20	HHCD	
CN(C)[C@@H]1CCN(c2ccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2)C1	772965967	WJEPXRUGWIFORC-HXUWFJFHSA-N	424.549	3.733	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	773741158	SQGRREBKYGFYGU-BTYIYWSLSA-N	422.447	3.600	10	20	HHCD	
C[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(Br)cc1O	774488657	FNAHOANWSGRDTR-GFCCVEGCSA-N	417.311	3.500	10	20	HHCD	
COC(=O)[C@@H](c1ccccc1C(F)(F)F)N(C)Cc1ccc(N2CCOCC2)cc1	782900192	GQFKRLKIKGCGEO-HXUWFJFHSA-N	422.447	3.888	10	20	HHCD	
COC(=O)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1C	784109254	SUEGYEHZFMPMGG-UHFFFAOYSA-N	409.486	3.526	10	20	HHCD	
C[C@H](NC(=O)Nc1cccc(Br)n1)c1ccc(N2CCOCC2)cc1	786144099	HNLFITZMLLGMEA-ZDUSSCGKSA-N	405.296	3.563	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ncnn1-c1ccccc1	787348144	MPZHTSFBCDXDLD-UHFFFAOYSA-N	404.518	3.599	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc4c(C(F)F)nn(C)c4s3)CC2)cc1	791535196	WTLIQERGOODFKQ-UHFFFAOYSA-N	420.485	3.934	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	792272301	BYNKFOCURYMIGQ-LLVKDONJSA-N	410.301	3.884	10	20	HHCD	
CNC(=O)C1CCC(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1	799901569	UBEDRVVOEFFOOZ-ZLPCBKJTSA-N	420.985	3.680	10	20	HHCD	
COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)[C@H]1C	800719648	MNYUXJJLOYTERG-YQQAZPJKSA-N	407.942	3.669	10	20	HHCD	
Cc1cc(C)nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1	801161736	GGQGSVWLBXPUNN-FQEVSTJZSA-N	412.534	3.760	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2nnc(CC)o2)c1	802609898	NSZIFLDEOBXBDT-UHFFFAOYSA-N	422.485	3.772	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1CCc1ccccc1	802610132	RFVPDTSNQPACBO-UHFFFAOYSA-N	420.513	3.599	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2ccnc3c2ncn3C)c1C	805673833	GDSUPSYOKXMHQW-UHFFFAOYSA-N	402.454	3.724	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)C2CC2)cc1	806755062	IRIFTITYDIZWAW-UHFFFAOYSA-N	414.893	3.933	10	20	HHCD	
COC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1	810211888	XLCDOIDPDVYVCO-WIYYLYMNSA-N	401.938	3.519	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1C1CCCCC1	810301365	ADFIASBVJFEADZ-UHFFFAOYSA-N	415.513	3.994	10	20	HHCD	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)s1	811289688	SWNKJQGCCSOPMT-UHFFFAOYSA-N	407.444	3.570	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)c2noc(COC(C)C)n2)cc1	811971908	IPFTYHINJIOPMM-MRXNPFEDSA-N	403.527	3.743	10	20	HHCD	
CC(C)(C)OC(=O)N1CCOc2ccc(NCc3cc4c(cc3O)OCO4)cc2C1	812785822	LWSZNIBQOYMCJC-UHFFFAOYSA-N	414.458	3.863	10	20	HHCD	
CCCN(Cc1ccccc1)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	916198950	SAEJRPKRUVXZFZ-UHFFFAOYSA-N	424.589	3.829	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(NC(=O)C2CC2)cc1	916625159	FSKRJZVNMBDSSO-UHFFFAOYSA-N	410.543	3.910	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccccc3N3CCCCC3)cc2)C1	917394298	IGLMLZDAXRGTLE-JOCHJYFZSA-N	406.574	3.668	10	20	HHCD	
O=C(NCCCSc1ccc(F)cc1)NCc1ccc(N2CCOCC2)c(F)c1	918178173	AORNANBPYDSSRG-UHFFFAOYSA-N	421.513	3.783	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	919743349	GZQBGXOVUIRMBW-UHFFFAOYSA-N	407.474	3.724	10	20	HHCD	
Cc1noc(-c2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc2)n1	1317928241	DQQVMZKWYIEVNO-GASCZTMLSA-N	424.476	3.728	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1	1317992566	CGOKZJPPTOFTPH-QZTJIDSGSA-N	403.954	3.977	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)C34CC(C3)C4)C2)cc1	1846736438	XLGXZSRYGHASEU-UHFFFAOYSA-N	403.526	3.711	10	20	HHCD	
CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nnc1-c1cccs1	7229130	QTPQIBKKVKOOME-UHFFFAOYSA-N	401.561	3.501	10	20	HHCD	
CCN(CC)CCN(CC(C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	139985482	CJHYAMXYNFQFID-FQEVSTJZSA-N	404.599	3.594	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H](C)C(=O)N3CCCC[C@@H]3C)cc2)CC1	303287375	AAXUZYJTHVCWBO-RBUKOAKNSA-N	400.567	3.512	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(NC(=O)C2=S=CC=C2)cc1	471790600	GUHRKDISUNUKLI-UHFFFAOYSA-N	402.479	3.649	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2n[nH]cc2c1	726566858	GBGPPTBCSCCZKP-UHFFFAOYSA-N	400.429	3.872	10	20	HHCD	
Cn1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c(-c2cccnc2)n1	726608386	ZIRBUVKUQHVIRO-UHFFFAOYSA-N	413.472	3.842	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(Br)s3)CC2)cc1	726611094	QRWLOIPBORBEFM-UHFFFAOYSA-N	424.364	3.987	10	20	HHCD	
CCN(CC)[C@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)CC(C)C	726704307	MNLASDQTYUBNCX-NRFANRHFSA-N	404.599	3.720	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](CN3CCCC3)c3ccccc3)CC2)cc1	726705107	CMQGABVWFSQUQF-XMMPIXPASA-N	422.573	3.800	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@H]3C)ccc21	728637352	KBZZLJURFQOQCA-IYBDPMFKSA-N	400.519	3.851	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(OCc2cscn2)c1	730667548	SXINOZGJNNWRND-UHFFFAOYSA-N	424.526	3.880	10	20	HHCD	
C[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)c1ccc(N2CCOCC2)cc1	730826143	ZQAXHDUGHNRYKB-SFHVURJKSA-N	406.530	3.998	10	20	HHCD	
COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	731671040	DQFLFEYDLHEEMR-UHFFFAOYSA-N	418.540	3.575	10	20	HHCD	
Cc1nc2cc(O)nn2c(C)c1CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	733884630	XWFBXMDLQSQBQW-UHFFFAOYSA-N	407.449	3.528	10	20	HHCD	
CC(C)[C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	734423525	POLZHDFMVBPCSK-QFIPXVFZSA-N	420.619	3.780	10	20	HHCD	
Cc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)sc2C)cc1	734975479	IFKPOGNZKXFIPL-UHFFFAOYSA-N	413.524	3.514	10	20	HHCD	
COC(=O)N(C)Cc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1	735243541	ZVMAXNUVLFVQBJ-UHFFFAOYSA-N	400.548	3.698	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O	735841666	UQMNNYUHFMHQDO-UHFFFAOYSA-N	419.403	3.765	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2F)C[C@H](C)O1	736004455	IVMZIHRHUGSQQT-STQMWFEESA-N	421.856	3.931	10	20	HHCD	
Cc1nc(C(C)(C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)sc1C	737037383	METNBMSVTAPAAG-UHFFFAOYSA-N	420.554	3.595	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(C)n1-c1ccccn1	740834395	LEGVGLIWDVFXFZ-KXBFYZLASA-N	412.534	3.864	10	20	HHCD	
O=C(OCc1ccccc1)N1CCO[C@@H](c2nc(-c3ccc(O)c(O)c3)cs2)C1	743052188	GGHNKSQKNNGONG-LJQANCHMSA-N	412.467	3.931	10	20	HHCD	
O=C(Nc1nnc(C(F)F)s1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743123003	KVRMVDCIBXFDMF-SECBINFHSA-N	419.404	3.868	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(-n2cccn2)c1	745592510	IPSXJEWEWCDAPE-GOSISDBHSA-N	421.570	3.986	10	20	HHCD	
O=C(CN1CCN(C2CCOCC2)CC1)Nc1ccc(N=Nc2ccccc2)cc1	747843538	ARAAXFREOULWHF-UHFFFAOYSA-N	407.518	3.837	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCC2(CCCC2)C1	751070359	ZHSZLHJXJCWNOR-UHFFFAOYSA-N	406.529	3.661	10	20	HHCD	
COCCOc1ccccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F	751503327	OZYMGJZICRDCLJ-UHFFFAOYSA-N	424.463	3.857	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H](OC(C)(C)C)c1ccccc1	754310678	GUJMGLURHDUIJQ-JOCHJYFZSA-N	412.530	3.811	10	20	HHCD	
Cc1cnccc1CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	755080192	UJYMAYGVUQIFKS-QGZVFWFLSA-N	404.461	3.502	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)ccc21	755432700	BOKHVLGVBXMUCN-AWEZNQCLSA-N	403.523	3.548	10	20	HHCD	
Cc1noc(CCCN[C@H](C)c2cc(Br)cc(Br)c2O)n1	756688030	XQTWYEGTAQZKJQ-MRVPVSSYSA-N	419.117	3.892	10	20	HHCD	
CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCc1c(O)ccc2c1CCCC2	760008296	CQSVQEMEIIAYPE-UHFFFAOYSA-N	406.479	3.525	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)[C@]12CCCO2	760142347	KPKCLWJFUGQTDQ-QZNHQXDQSA-N	402.535	3.963	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](C)[S@@](=O)CC2)c(C)n1-c1ccc(Br)cc1	760660010	POARNPHSYBQAEX-PWECECGKSA-N	423.376	3.840	10	20	HHCD	
CCOCCC1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCCC1	760803470	FSWYXHZVIFNIOP-UHFFFAOYSA-N	403.567	3.652	10	20	HHCD	
O=C(Cc1cccc2cccnc12)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761982936	OHZKYSSEZLYILR-FQEVSTJZSA-N	409.917	3.917	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC1CCN(Cc2ccccc2)CC1	764746796	OJJNVXLOBUFSGM-UHFFFAOYSA-N	418.335	3.619	10	20	HHCD	
CCOc1nccc(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	764781603	XFEVRSQXXHHDFG-UHFFFAOYSA-N	423.435	3.574	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC1CCC(N2CCCCC2)CC1	765537054	KBDITJIBFWFBES-UHFFFAOYSA-N	410.356	3.751	10	20	HHCD	
Cc1cc(C)n(-c2ccc(C(=O)NCc3cccc(Br)c3O)cc2)n1	765758489	YRRSUUAQEAHKRH-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc2ccccc2c1O	765823079	ROBNHQOUXZSJRZ-MBSDFSHPSA-N	404.510	3.666	10	20	HHCD	
CCOCCCN1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)[C@H](C)C1	766024503	WWIBHENIXWLJMY-PWHSHALESA-N	424.029	3.964	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)c1	767002635	OZXFJIILUVMURP-NSHDSACASA-N	411.271	3.733	10	20	HHCD	
COc1cccc(S(C)(=O)=O)c1NNC(=S)Nc1ccc2ccccc2c1	767423006	DVPYFDYYZMLGJA-UHFFFAOYSA-N	401.513	3.565	10	20	HHCD	
C[C@@H](NS(=O)(=O)/C=C/c1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1	768811393	DHDOEKKYNNTMRJ-SCZPIIQISA-N	406.935	3.828	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O	768828412	YQDQRFWNGYXRDD-RTWAWAEBSA-N	407.341	3.920	10	20	HHCD	
COc1ccc(N2CCCN(Cc3nnc(-c4ccc(Cl)cc4)n3C)CC2)cc1	770647394	FOFWRWQMDQCRQL-UHFFFAOYSA-N	411.937	3.856	10	20	HHCD	
Cc1cn2c(=O)c(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cnc2s1	771630440	MIUMIFBVGRAIIV-UHFFFAOYSA-N	410.543	3.763	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)c2)CC1	771637650	QTHLHGCYXSPLMX-UHFFFAOYSA-N	403.530	3.883	10	20	HHCD	
CCOc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1O[C@H](C)C(=O)N(C)C	771935119	IXFOUTCHCMWTKT-GOSISDBHSA-N	413.562	3.639	10	20	HHCD	
COCC(=O)NC1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	772067031	XWVUGOOXSFCQFH-UHFFFAOYSA-N	423.517	3.535	10	20	HHCD	
C[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(N2CCCCCC2)cc1	773096809	XXESIUFQUBXCOX-YLJYHZDGSA-N	422.616	3.614	10	20	HHCD	
C[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCO2)c1ccc(N(C)C)cc1	773622923	IRCVDPYGUZWLBS-LBPRGKRZSA-N	420.307	3.804	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(COc2ccc(F)cc2)n1	773755844	GKWUQWIRQMDFGW-GFCCVEGCSA-N	402.447	3.633	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)c1O	774991027	VRPRSSBHUFDQDR-UHFFFAOYSA-N	400.431	3.639	10	20	HHCD	
CC[C@@H](NCc1cccc(OCC(=O)OC)c1)c1cc(Br)ccc1O	775523686	LITUHKWEOFVSGW-QGZVFWFLSA-N	408.292	3.947	10	20	HHCD	
CN(C)c1ccc([C@H](CNC2CCC3(CC2)OCCO3)NC(=O)OC(C)(C)C)cc1	775541207	UAGBHFFSIPCCKB-FQEVSTJZSA-N	419.566	3.594	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC[C@H](C2OCCO2)C1	775675043	QICLASUAAJMGLY-JTQLQIEISA-N	421.129	3.502	10	20	HHCD	
O=C(Nc1ccnn1CC1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	776035146	OORRRTDFSWNJMB-UHFFFAOYSA-N	405.449	3.685	10	20	HHCD	
COc1ccc(O)c(CNC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1	776174238	FUGQPQCUTDLZOO-HXUWFJFHSA-N	404.938	3.996	10	20	HHCD	
C[C@@](O)(CNCc1cc(Br)cc(Br)c1O)c1ccco1	776222891	WHVXWACUHQDKPH-CQSZACIVSA-N	405.086	3.508	10	20	HHCD	
CC[C@@H](C)n1c(SCC(=O)NCc2ccc(O)c(O)c2)nnc1-c1ccccc1	778924571	ACBYFRKBSJFBQQ-CQSZACIVSA-N	412.515	3.736	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2OC(C)C)cc1	779153065	OOTUCKINKYNIMX-UHFFFAOYSA-N	401.482	3.714	10	20	HHCD	
Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1F	781646839	PJWCUGXCVBFFRY-UHFFFAOYSA-N	406.460	3.830	10	20	HHCD	
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c1	782263350	ZKRVIGIXZVXVDA-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c(C)c1F	782924629	CKFKFJPFUAAPRY-UHFFFAOYSA-N	406.460	3.959	10	20	HHCD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784059400	JXMWPZYVMANHLJ-UHFFFAOYSA-N	422.529	3.583	10	20	HHCD	
CN1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	785025894	COSBBLPKYNTRHZ-LAUBAEHRSA-N	405.502	3.983	10	20	HHCD	
C[C@H](OC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1cccnc1	785413991	SFPGCPVIXUUIBV-LBPRGKRZSA-N	404.469	3.568	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1)C1CCCCC1	785978774	CETBNLUPHNRHLY-UHFFFAOYSA-N	418.534	3.928	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1	786074931	PSWYGNKOOIKNJP-NRFANRHFSA-N	411.933	3.846	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cccc4c3OCC[C@@H]4OC)CC2)cc1	790568699	PADOGNYDDUOFJB-NRFANRHFSA-N	411.502	3.909	10	20	HHCD	
C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3c(O)ccc(Cl)c3F)cc2)C1=O	790606728	AQLDZIKLCNMTKO-NRFANRHFSA-N	417.868	3.699	10	20	HHCD	
C[C@@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1cc(F)cc(F)c1O	793573425	QXBRJDLRXZTMEX-VERVWZFWSA-N	415.440	3.746	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H](C)CCNC(=O)OC(C)(C)C)c1O	793602129	UHOICLBUJJBAAR-NSHDSACASA-N	403.317	3.556	10	20	HHCD	
CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ccc(N3CCCCC3)cc2)s1	796530554	VNXTWMYSTPXVGQ-HOTGVXAUSA-N	401.580	3.844	10	20	HHCD	
CC(C)c1ncc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1	796749843	WXKRNMJPWYPGJI-UHFFFAOYSA-N	409.534	3.624	10	20	HHCD	
CCc1cnc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1	800637115	UFBWQLHUZKEICI-CYBMUJFWSA-N	420.966	3.850	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc2Cl)C1	800718524	AKXBVNMKZHMLKM-UHOSZYNNSA-N	404.986	3.954	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1	804123542	ZNNDIVIZIBZIGF-INIZCTEOSA-N	408.483	3.669	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1	806276216	LESQTBJOCXPIPB-SJORKVTESA-N	403.573	3.584	10	20	HHCD	
CNC(=O)c1cc2cc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2[nH]1	806499793	UJSVSWGQDWYYBE-UHFFFAOYSA-N	407.257	3.862	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F)c1ccc(N(C)C)cc1	806986118	GUZRBMVZPDLKOH-UONOGXRCSA-N	423.435	3.898	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	807039432	XQEZTKUEPZMCJH-QGZVFWFLSA-N	422.312	3.689	10	20	HHCD	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	807192496	OQTXGESPDOHKDV-AAIMPIBUSA-N	423.557	3.522	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1	809195729	LJJOQOHLDSGQGS-PZJWPPBQSA-N	411.521	3.693	10	20	HHCD	
FC(F)(F)Oc1cccc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)c1	809786607	GNCSMBNFFPYTJL-OAQYLSRUSA-N	422.447	3.995	10	20	HHCD	
COC(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1	810161344	JJCKWZBRVXHBAR-UHFFFAOYSA-N	404.919	3.610	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3ccnc(-n4cccn4)c3)ccc21	810871005	XZSFSTCZCQTRKM-UHFFFAOYSA-N	404.470	3.842	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cc(C3CC3)ccn1)c2[N+](=O)[O-]	813298696	MDSLPPVTBANYTL-UHFFFAOYSA-N	413.389	3.895	10	20	HHCD	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCc1cccc(Br)c1O	813788523	OJJYPTRISAGVOU-STQMWFEESA-N	403.292	3.592	10	20	HHCD	
Fc1ccc([C@@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2nc[nH]n2)cc1	815573732	RRQUWDJELHTSAT-LJQANCHMSA-N	417.435	3.893	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(OC(F)F)c(F)c1	815952220	FDGPZPBEZDMKLY-UHFFFAOYSA-N	417.767	3.602	10	20	HHCD	
CCc1ccccc1NC(=O)CN1CCN(Cc2ccc3ccccc3c2O)CC1	816482722	QDCVMUYASUABHK-UHFFFAOYSA-N	403.526	3.864	10	20	HHCD	
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	820005771	BWGDNJKKJDZPON-AWEZNQCLSA-N	419.872	3.807	10	20	HHCD	
Cc1cc(CCNC(=O)CCc2nc(-c3ccccn3)no2)c(C)n1-c1ccccc1	915140597	JIESAAZIJHXONH-UHFFFAOYSA-N	415.497	3.831	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCN(Cc2c(O)ccc3ccc(OC)cc23)CC1	917471461	IUURBCLUTMJARL-UHFFFAOYSA-N	420.509	3.911	10	20	HHCD	
O=C(/C=C\c1ccccc1OC(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1	918632672	BABNYAGOGDNBDQ-VURMDHGXSA-N	424.394	3.891	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)C2CC2)cc1	1115946597	NLGISZNRDIUEIS-OAQYLSRUSA-N	420.557	3.731	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1oc2ccc(Cl)cc2c1C	1116592692	ZEPSTDBAIHHFRL-HNNXBMFYSA-N	417.845	3.710	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(C)cc4)c3C)CC2)cc1	1319625832	OOECNINDBVJWMG-UHFFFAOYSA-N	404.514	3.850	10	20	HHCD	
CC(=O)N(c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1)[C@H]1C[C@H]1C	1324491226	KDSBBPTYKARELN-OSPHWJPCSA-N	410.537	3.951	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	1337826475	MRZPIFFMJMGWFV-HBMCJLEFSA-N	419.477	3.645	10	20	HHCD	
Cc1cscc1C(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788427914	FJCQGPGSIOMKSL-UHFFFAOYSA-N	423.494	3.924	10	20	HHCD	
CC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c2C)c1	7918944	ZPUGBVMMKOJIKV-MFOYZWKCSA-N	414.508	3.583	10	20	HHCD	
CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc1OCC	40888669	ORJOHLOLCCTNHW-VBKFSLOCSA-N	409.529	3.638	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)c(C)n1-c1cccc(F)c1	71937491	GYVSYKLWJQQSFA-UHFFFAOYSA-N	405.429	3.885	10	20	HHCD	
CSC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C	303744746	JNTBWPRELDPCGT-SFHVURJKSA-N	411.365	3.700	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCOCc3cccc(OC)c3)ccc21	514149827	SPWREKITPBBMAN-UHFFFAOYSA-N	410.514	3.860	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)C[C@@H]3OCCc4ccccc43)CC2)cc1	726714179	UNONLNQJTNICCZ-QHCPKHFHSA-N	409.530	3.619	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(CC(C)(C)CN(C)C)C1=O	727176436	KQZACGWOBNGXFP-YBEGLDIGSA-N	423.560	3.783	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1c(Cl)nc2sccn12	728585852	BIMGYDVPNWYJNM-UHFFFAOYSA-N	410.952	3.518	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC)cc3C)cc2F)CC1	730383837	RMKAWYXSYOIVDE-UHFFFAOYSA-N	400.498	3.606	10	20	HHCD	
CCc1cc(=NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nc(-c2ccncc2)[nH]1	731662695	SYDTWBAHBWMORD-IRXDYDNUSA-N	421.520	3.888	10	20	HHCD	
Cc1ccc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	734857826	INMUSHHYNYWQQW-UHFFFAOYSA-N	421.463	3.892	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	736004451	IVMZIHRHUGSQQT-BETUJISGSA-N	421.856	3.931	10	20	HHCD	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc(N2CCC(C)CC2)c1	740609049	BDNZPRZLOJPEFS-UHFFFAOYSA-N	417.531	3.691	10	20	HHCD	
COC(=O)C[C@H]1CSCCN1Cc1c(O)ccc2cc(Br)ccc12	740856378	QRBOGKBXKUZEPI-AWEZNQCLSA-N	410.333	3.788	10	20	HHCD	
COC[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(C)C	741611011	ICHAFHWMYLHEOR-GWQWUEFDSA-N	412.602	3.517	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)cc1F	742252417	APWXDXCKRIBCRM-JOCHJYFZSA-N	417.500	3.501	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cc(O)cs2)NC(=O)OC(C)(C)C)cc1	743725155	GTBNLNOXSAMFPF-INIZCTEOSA-N	405.520	3.516	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(N2CCCCCC2)c1	743957841	CQEWDMHMJUMLHK-UHFFFAOYSA-N	421.541	3.906	10	20	HHCD	
CC(C)C[C@H](CCO)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745902926	BFXGJQCKQMFHCR-DLBZAZTESA-N	413.509	3.601	10	20	HHCD	
CCC(=O)N1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)C1	746175087	VUMMZDRRWPXOCN-LJQANCHMSA-N	409.530	3.553	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3cccc(OC(F)(F)F)c3)CC2)cc1F	747922833	CJSKKIZSXDYYGV-UHFFFAOYSA-N	412.383	3.624	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1	748934214	KBEYEAZGXBUNDL-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](O)c1c(F)cccc1F	752995134	FBJMNNWIHWDDQI-TZIWHRDSSA-N	401.457	3.652	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccccc3Cl)CC2)cc1F	755514842	LTNDXTGCCBXXJO-UHFFFAOYSA-N	414.868	3.840	10	20	HHCD	
C[C@H](NCCNC(=O)c1c(F)cccc1F)c1cc(Br)cc(F)c1O	756707644	MCMBQERECDCNTA-VIFPVBQESA-N	417.225	3.653	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1C	760659687	YHMGMJVMRRATFX-NHCUHLMSSA-N	402.560	3.830	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1Br	760787789	AXBIHNZXNOCLTH-UHFFFAOYSA-N	404.264	3.888	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)cc2)CC1	761724185	LTAQMXGGOWYRDD-UHFFFAOYSA-N	406.530	3.873	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)c3c(F)cccc3F)c2C)cc1	762522736	PYSATJJVKMGXAC-FQEVSTJZSA-N	400.425	3.844	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1	764235947	NXXGHEBHBJISRH-UHFFFAOYSA-N	401.532	3.527	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@@H](c2ccccc2)N(C)C)cc1	764458877	BXAOXFYLXJYWSN-RPWUZVMVSA-N	409.574	3.953	10	20	HHCD	
Cc1c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cnn1-c1ccccn1	764527744	SICAJCQWQGLRRV-UHFFFAOYSA-N	415.475	3.639	10	20	HHCD	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	765321032	KMCDWIWBWDPJPB-MDZRGWNJSA-N	409.477	3.514	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1c2ccccc2CC[C@@H]1C	767816651	STQGHNDJOMXBEN-ZCNNSNEGSA-N	407.558	3.930	10	20	HHCD	
Oc1ccccc1CN(Cc1cnc2ccc(Br)cn12)C[C@H]1CCCO1	768163127	UWVYVLIKCRIDFL-GOSISDBHSA-N	416.319	3.984	10	20	HHCD	
CN1CCN(c2ccc(CNC[C@H](c3cccc(C(F)(F)F)c3)N(C)C)cc2)CC1	768945900	MYNIOCGYAXZTPW-JOCHJYFZSA-N	420.523	3.850	10	20	HHCD	
COc1ccc2cc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)[nH]c2c1	771059062	PINIKVKCAPTEMX-KRWDZBQOSA-N	413.905	3.930	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)ccc3-n3cc(C)cn3)CC2)cc1F	772456149	CPFATLRKTXTSIV-UHFFFAOYSA-N	423.492	3.991	10	20	HHCD	
CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1	774486109	VWPMWDBOIAEGHB-MSOLQXFVSA-N	410.562	3.912	10	20	HHCD	
C[C@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1ccc(N2CCOCC2)cc1	775259328	HPMSYXDQBCWVNI-HNNXBMFYSA-N	407.967	3.547	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1	775487886	FRDVJPKJALCFBS-OFVILXPXSA-N	407.602	3.896	10	20	HHCD	
C[C@@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1	779071490	FSEZVHBRFZXSTJ-QGZVFWFLSA-N	419.541	3.880	10	20	HHCD	
COc1ccc([C@H](NCc2cc(F)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1	779084849	BRBZQFDNRGLZMJ-QFIPXVFZSA-N	415.486	3.823	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1Oc1ccccc1	785298837	ZYRKXKJIRMKOSQ-OAHLLOKOSA-N	406.438	3.576	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2c(F)cccc2Cl)cc1	786908890	BSNPBQZUAMWSAQ-UHFFFAOYSA-N	405.901	3.600	10	20	HHCD	
Cc1ccc(CN2CC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2=O)cc1	790697202	LPYSTDVQVWKCSG-HSZRJFAPSA-N	422.573	3.782	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c(O)c1	793158742	NKYCNJKQLPYHDB-QGZVFWFLSA-N	411.424	3.522	10	20	HHCD	
COCC1(CN[C@H](C)c2cc(F)cc(F)c2O)CCN(C(=O)OC(C)(C)C)CC1	793573190	DGCPFDKCIMDPAV-CQSZACIVSA-N	414.493	3.985	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(-n4cnnc4O)c3C)c2C)cc1	793618360	LISQHUZLPFSCLF-UHFFFAOYSA-N	417.469	3.950	10	20	HHCD	
Cc1noc(C)c1C(C)(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	797436762	OLEHTGLFNNKHMN-ZIAGYGMSSA-N	403.498	3.638	10	20	HHCD	
C[C@@H](NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1	798408845	KHSHJMXHTAJKRU-QGZVFWFLSA-N	406.530	3.846	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@@H](C)O[C@]4(CCOC4)C3)cc2Cl)C1	799994102	JNYHEYXWHLBKSG-DRSNIGMVSA-N	421.969	3.666	10	20	HHCD	
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3c(O)ccc(Cl)c3F)cc21	800310903	HZHUOZRVQZESMM-UHFFFAOYSA-N	418.900	3.978	10	20	HHCD	
Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	800628815	ASPBWKZEFHOCHD-UHFFFAOYSA-N	414.437	3.929	10	20	HHCD	
COCc1ncc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)s1	803899739	GTZHUKGJQQGMKC-UHFFFAOYSA-N	402.447	3.876	10	20	HHCD	
C[C@@H](NC(=O)Nc1cc(F)c(F)cc1N1CCOCC1)c1ccc(N(C)C)cc1	806716073	VJNYUFGNKVUNGF-CQSZACIVSA-N	404.461	3.750	10	20	HHCD	
CNC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1Br	806737406	YKDQAFQQCUCFSG-LBPRGKRZSA-N	419.323	3.757	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H]1[C@@H]1CCCO1	806878840	XOZASQHTSRLYKM-MNEFBYGVSA-N	409.477	3.610	10	20	HHCD	
CCOC(=O)[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCCOC1	809652655	KCRMHPAFOJGZLU-UPVQGACJSA-N	408.542	3.697	10	20	HHCD	
CC[C@H](C)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@H]1CCCO1	812306722	BTNBSWCQSSDZMQ-GHTZIAJQSA-N	413.566	3.696	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1	874006980	NXBHILMQOWHUOU-UHFFFAOYSA-N	422.553	3.577	10	20	HHCD	
Cc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)n1-c1ccccn1	914613700	IRDBLVWYHGJPJG-UHFFFAOYSA-N	409.398	3.621	10	20	HHCD	
CC(=O)c1cccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1	915749027	OZAOYPULOHOUOV-UHFFFAOYSA-N	403.482	3.594	10	20	HHCD	
O=C(Cc1csc(-c2cccnc2)n1)NCc1ccc(N2CCSCC2)cc1	917386624	IHGKMYIOHYXLBO-UHFFFAOYSA-N	410.568	3.617	10	20	HHCD	
Cc1nc2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc2nc1C	917709821	GFCUYASAJMYKTF-GASCZTMLSA-N	422.504	3.929	10	20	HHCD	
Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	917712483	PBVWIDHNNMPNFN-HUUCEWRRSA-N	401.438	3.586	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CNC(=O)NC2CCCCC2)cc1	918055633	AGRIMFQHACNGNW-UHFFFAOYSA-N	412.534	3.506	10	20	HHCD	
Cc1cc(C(=O)NC2(C(N)=O)CCCCC2)c(C)n1-c1ccc(Br)cc1	919852523	RATQUIBUFOQVOT-UHFFFAOYSA-N	418.335	3.775	10	20	HHCD	
COc1ccc(NC(=O)c2nnc(CN3CCCc4cc(OC)ccc43)s2)cc1	935508700	AVDQVXCNBIFUQC-UHFFFAOYSA-N	410.499	3.760	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/CCn4c3nc3cc(Cl)ccc3c4=O)cc2F)CC1	1248745963	CWURARFVKULOIB-VBKFSLOCSA-N	424.907	3.885	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC2)cc1	1319869628	GMPSETMMQHEGHP-UHFFFAOYSA-N	419.566	3.817	10	20	HHCD	
O=C(Cc1cc2c(cc1Br)OCCO2)Nc1c(Cl)ccc2nonc12	1339437769	JUAXJWXTNUKKSQ-UHFFFAOYSA-N	424.638	3.591	10	20	HHCD	
O=C(NCc1ccc(Br)o1)NCc1cccc(Br)c1O	1343737993	ATINKPAHFTYHCR-UHFFFAOYSA-N	404.058	3.510	10	20	HHCD	
O=C(C1=CCCC1)N1CCCC2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)C1	1808967104	BZHXDZHCJUUEKS-UHFFFAOYSA-N	418.921	3.706	10	20	HHCD	
COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(OC)c1	7246364	UAHSMSJOEIUALU-JOCHJYFZSA-N	411.546	3.565	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccccc3C(F)(F)F)cc2F)CC1	303344457	WVKCUZHMLPVENN-UHFFFAOYSA-N	409.427	3.916	10	20	HHCD	
CCNC(=O)COc1cccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1	482776845	CBOCTPQSXUSAFV-UHFFFAOYSA-N	423.513	3.672	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)n(C)c2ccccc12	575017319	TZCOJUFISIAMSB-WOJBJXKFSA-N	403.526	3.631	10	20	HHCD	
Cc1ccc(C)c(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726726789	QHVHYUUWJDBMHG-UHFFFAOYSA-N	417.456	3.629	10	20	HHCD	
Cc1cc(C(=O)NCCOC[C@@H]2CCCO2)c(C)n1-c1ccc(Br)cc1	734446291	WDKMMZCINGBXQF-SFHVURJKSA-N	421.335	3.782	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccccc2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	734675936	LYMRBLGAUWPPPL-RBBKRZOGSA-N	409.530	3.752	10	20	HHCD	
Cc1nccn1CCCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743631538	UDWWUDQXXANGAZ-QGZVFWFLSA-N	421.492	3.541	10	20	HHCD	
COc1ccc([C@H](C)CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	743636257	FCTMHMFZJAJFPD-LJQANCHMSA-N	411.546	3.867	10	20	HHCD	
CCN(CC(=O)N1c2ccccc2C[C@@H]1C)Cc1cc(Br)ccc1O	743870913	HFQUDMLZESGNKS-AWEZNQCLSA-N	403.320	3.954	10	20	HHCD	
COc1ccc(N(C)CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1OC	744390979	MRNRQSKGGFMASU-UHFFFAOYSA-N	408.502	3.890	10	20	HHCD	
Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	746795702	ZLBLMOFYKCQCNZ-UHFFFAOYSA-N	405.420	3.651	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)N3CCc4ccccc43)cc2F)C[C@@H](C)O1	746878293	VDWUDGWLNLLMFJ-FGTMMUONSA-N	411.521	3.507	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccccc2O)cc1S(=O)(=O)N1CCCCCC1	748438369	JRXXDIBGEYENLI-UHFFFAOYSA-N	417.531	3.587	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)c(C)n1-c1ccccn1	748742720	UXKXBJGRVDJHGW-HXUWFJFHSA-N	416.525	3.771	10	20	HHCD	
C[C@@H](c1ccccc1)N(CCNS(=O)(=O)c1ccccc1)Cc1ccccc1O	750616134	NUPZBAAKNHIAFC-IBGZPJMESA-N	410.539	3.934	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)cc1F	753920228	SPSWZYDMVLDHFA-KSSFIOAISA-N	405.420	3.500	10	20	HHCD	
CCc1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1CCC(C)C	755394435	ROBMGZFLHBLODL-UHFFFAOYSA-N	413.566	3.992	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)c(F)c(O)c1F	755530905	NCNUYKHPHBPFDB-GFCCVEGCSA-N	414.811	3.563	10	20	HHCD	
CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)cc1	756442602	FJLBWRKJVAJGQP-LLVKDONJSA-N	403.331	3.599	10	20	HHCD	
C[C@H](NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)c(F)cc1O	756764345	GQPPHXKJIMJRAR-RZAIGCCYSA-N	415.347	3.712	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)c2c(c1)OCCCO2	759698875	PBLJQPTZEWXGHC-UHFFFAOYSA-N	402.922	3.970	10	20	HHCD	
CCCOc1cccc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	761378171	GUAJCVKKASCUIY-UHFFFAOYSA-N	402.878	3.841	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1	761882204	VUSHHARRIGQTAP-UHFFFAOYSA-N	420.435	3.688	10	20	HHCD	
CCc1csc(-n2cc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cn2)n1	762568831	FIOIPLSCFYLOFJ-UHFFFAOYSA-N	415.482	3.853	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)c2C)cc1	764464006	AILJLVSFOWYRCK-NBGIEHNGSA-N	422.617	3.543	10	20	HHCD	
O=C(NCCc1ccc(F)c(F)c1F)NCc1cccc(Br)c1O	764805140	IRQLCHCUYLJOLG-UHFFFAOYSA-N	403.198	3.614	10	20	HHCD	
C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCOCC2)cc1	765331393	RWGVGYAUCKRASY-RTBURBONSA-N	413.537	3.911	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(NC(=O)OC(C)(C)C)nc1	768208563	UDNRKSFZWKIIHJ-UHFFFAOYSA-N	412.534	3.897	10	20	HHCD	
O=C(NC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1)Nc1ccccc1	768528055	HCBNMDWQHSLUSW-QHCPKHFHSA-N	408.546	3.699	10	20	HHCD	
CC[C@H](C)[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F	772538410	QZTHLIMPMZLXMT-KBXCAEBGSA-N	401.473	3.672	10	20	HHCD	
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)C2)nc1	773615303	VWZJHXDIXCLJNL-MJGOQNOKSA-N	409.534	3.577	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3cccs3)cc2Cl)C1	774785719	GGFBYFZDTJPVRZ-CQSZACIVSA-N	405.951	3.570	10	20	HHCD	
C[C@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCCC2	775259267	QFUPTYFTKYZLGG-UXHICEINSA-N	421.585	3.930	10	20	HHCD	
CC[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1O	775521892	DECHGOMAQBMZCP-QWHCGFSZSA-N	409.246	3.749	10	20	HHCD	
CCOC(=O)[C@@H](NCc1cccc(C)c1O)c1ccc(OC)c(Br)c1	779178294	MVSUYWMGHKQUFG-KRWDZBQOSA-N	408.292	3.866	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H](OCC2CC2)C1	779555020	SHLJUGKUWQZPRP-HXUWFJFHSA-N	423.504	3.857	10	20	HHCD	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	780821670	SNRZSLQKCUWTGS-HIFRSBDPSA-N	417.447	3.659	10	20	HHCD	
CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)/C=C\c3ccc(O)c(O)c3)cc2C1	781590485	OTVQCQKDBGJOMJ-TWGQIWQCSA-N	410.470	3.678	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccc(C)c(Cl)c3)cc2)CC1	786262957	QZUUDTBITTTZND-UHFFFAOYSA-N	413.949	3.566	10	20	HHCD	
COC(=O)c1cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(C)cc1C	788313527	RGDQJIWZPQDQSY-UHFFFAOYSA-N	411.502	3.889	10	20	HHCD	
Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1F	789744827	SDOKWQDVIBVBCF-LBPRGKRZSA-N	422.298	3.779	10	20	HHCD	
COC(=O)c1nc([C@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2C)sc1C	792094598	YZKKVAGZJBVHEF-QGZVFWFLSA-N	416.547	3.659	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cnc1C	794017763	SPCZURGCOOUJAL-UHFFFAOYSA-N	417.512	3.718	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1C	797429646	TVPRMTVYCXAEGT-UHFFFAOYSA-N	423.343	3.864	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CCN(C(=O)c2ccco2)CC1	916243874	VRQUYUJNHNGNLF-UHFFFAOYSA-N	424.545	3.716	10	20	HHCD	
Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-]	917697634	FMGNLEPXVHCINQ-UHFFFAOYSA-N	424.486	3.727	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCCC[C@@H]1c1ccncc1	918224210	NJFRYPWHKOHOEP-OAQYLSRUSA-N	412.509	3.884	10	20	HHCD	
COC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	918477096	RKBMIXGQLGKFSG-UHFFFAOYSA-N	408.458	3.842	10	20	HHCD	
O=C(COC(=O)CCn1ccccc1=O)Nc1ccc(N=Nc2ccccc2)cc1	919257205	VYLLCGYSBQYITO-UHFFFAOYSA-N	404.426	3.836	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1OC(F)F	919790799	QNTYTQYEONJPOQ-HNNXBMFYSA-N	405.445	3.685	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1	920251777	RUADOMVHYKTZNC-KTKRTIGZSA-N	413.905	3.501	10	20	HHCD	
C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H](c2ccccc2)O1	920867529	VZDIYCYZJYCLSG-PWHSHALESA-N	409.530	3.756	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(O[C@@H]4CCCC[C@H]4O)cc3)cc2F)CC1	1256566019	BMWWKAHIGZBTHZ-DNQXCXABSA-N	413.537	3.872	10	20	HHCD	
CN1CCN(c2ccc(CN(Cc3ccccc3)C[C@@H](O)c3ccco3)cc2F)CC1	1319715258	KZXOSNWJFCVMCI-XMMPIXPASA-N	423.532	3.906	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	21871326	ASWSKUVMEUSPEG-UHFFFAOYSA-N	411.911	3.833	10	20	HHCD	
CCCCN1C(=O)C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)[C@H]1c1ccc(OC)cc1	22694433	HZPTZYFUNIFQOV-ISKFKSNPSA-N	423.557	3.767	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)Cn3c(-c4ccccn4)noc3=O)c2C)c1	110089068	FFPXZZHIUJTECY-UHFFFAOYSA-N	420.494	3.911	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1	236965464	HVADQBUOEWNZNO-UHFFFAOYSA-N	423.582	3.693	10	20	HHCD	
COc1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc2c1OCO2	237252536	NSYZJPAAFZYXBU-UHFFFAOYSA-N	424.419	3.569	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3ccccc3Br)cc2F)CC1	303323611	RWHTXKQJKOPSAY-UHFFFAOYSA-N	420.326	3.660	10	20	HHCD	
COCC[S@](=O)Cc1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	303634509	GIYHOHYCNXOYGY-LJAQVGFWSA-N	411.527	3.637	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CC(=O)N(C)C)c3ccccc3)ccc21	483444850	YUYYUQXGQDIEOP-QFIPXVFZSA-N	421.541	3.854	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3ccc(OC)cc3OC)ccc21	483703748	YXPNGAOEODNREN-UHFFFAOYSA-N	410.514	3.894	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ccc(NC(N)=O)cc3)ccc21	484672586	YOPOLYCXDIXDBU-HNNXBMFYSA-N	408.502	3.886	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	513683337	JKLMUSVYBWZAMB-IBGZPJMESA-N	415.484	3.635	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3cn4cccc(C)c4n3)ccc21	673725870	GLFZMASPGPMWGY-UHFFFAOYSA-N	404.514	3.833	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Br)c1C	727038224	XHLRACOLKGCWAH-UHFFFAOYSA-N	418.335	3.811	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](c1ccccc1)c1cccnc1	728596657	HGUFUUGORJMLGH-HSZRJFAPSA-N	420.488	3.646	10	20	HHCD	
CCCCNC(=O)C1CCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1	731405367	ZBYSJHATBAHVEK-UHFFFAOYSA-N	406.546	3.510	10	20	HHCD	
O=C(c1ccc2c(O)nc(S)nc2c1)N(Cc1ccco1)Cc1ccccc1O	735927355	PKUQRHFMXHUEEV-UHFFFAOYSA-N	407.451	3.765	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccc(N4CC=CC4)cc3)cn2)CC1	740908256	UDHWSHHMCUYHLE-UHFFFAOYSA-N	405.546	3.694	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1	741256892	QIEVPJYASRVHEA-SFHVURJKSA-N	418.538	3.978	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2C[C@@H](C)S[C@H](C)C2)c([N+](=O)[O-])c1Br	742420672	FAUOOPXAUZQWRA-HTQZYQBOSA-N	406.258	3.604	10	20	HHCD	
CCS[C@@H]1CC[C@H](N(C)Cc2cc(C(C)=O)cc(CN3CCOCC3)c2O)C1	743398282	GIFWOGZOWPPDMM-LEWJYISDSA-N	406.592	3.533	10	20	HHCD	
COc1ccc(N(CCOc2ccc(S(C)(=O)=O)cc2)Cc2ccco2)cc1F	744403970	CGKOACNQCHMOQR-UHFFFAOYSA-N	419.474	3.916	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	745812063	KFIMAGPFBDZSPT-UHFFFAOYSA-N	400.479	3.660	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1O	745819534	AJCGTBNVUDSTDR-HNNXBMFYSA-N	420.469	3.609	10	20	HHCD	
CCN(Cc1ccccn1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	753006755	LHDOCYNBOADUMY-QGZVFWFLSA-N	404.461	3.884	10	20	HHCD	
CC[C@@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c(C)noc1C	754542992	FHNINNNZVCDMCL-HXUWFJFHSA-N	417.465	3.746	10	20	HHCD	
Cc1cc(C(=O)CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	754649337	CXCBLFCKZTWDQO-WQIKXMADSA-N	424.513	3.720	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(C)c1Br	756074888	AJTAHQVKIADRIW-UHFFFAOYSA-N	418.335	3.729	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)nc3)SC2=S)c1	758414258	BBIAGNKZISTIQW-MHWRWJLKSA-N	411.508	3.786	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)cc(OC)c1OC	759241073	MFIYNGLYIIVQNW-UHFFFAOYSA-N	421.497	3.670	10	20	HHCD	
COc1cc(N2CCN(C(=O)CCCc3sccc3C)CC2)cc(OC)c1OC	759242056	LSZLYJHOXMQAHT-UHFFFAOYSA-N	418.559	3.754	10	20	HHCD	
C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	760209263	SFZZXQWAPNWBPU-KRWDZBQOSA-N	423.561	3.878	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1	760887767	HXZRCEQBEOTVPH-UHFFFAOYSA-N	419.529	3.552	10	20	HHCD	
COc1cc(Cl)cc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1O	761198015	MZNRWZIYBAEBRC-GASCZTMLSA-N	418.921	3.593	10	20	HHCD	
O=C1[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCN1Cc1ccccc1	761335355	QVDLSDDAZUFFHO-OAQYLSRUSA-N	422.529	3.866	10	20	HHCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@@H](O)COc1ccccc1Br	765261012	LNUUGJAVJSEFJF-GFCCVEGCSA-N	421.118	3.991	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H](O)c1cc(Cl)cc(Cl)c1	765750852	MJKQHLCHJXXYKI-CQSZACIVSA-N	405.075	3.811	10	20	HHCD	
COCCN(Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(OC)c(OC)c1	767900947	PZGNPERCQABSSE-UHFFFAOYSA-N	405.401	3.685	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	768165347	CYZSXIDHUJMJHJ-MOPGFXCFSA-N	418.459	3.733	10	20	HHCD	
Oc1c(Br)cccc1CN1CCC[C@H](c2nnc3n2CCCCC3)C1	768226872	PZKFLBDGUROSRO-HNNXBMFYSA-N	405.340	3.852	10	20	HHCD	
O=C(c1cccc(F)c1)N1CCCN(Cc2cc(Br)ccc2O)CC1	768251596	QOHLSAYCAVDYKK-UHFFFAOYSA-N	407.283	3.642	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)n2)s1	768848623	JOKQWIGEKIBDAX-UHFFFAOYSA-N	402.504	3.654	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4[C@@H](C=C(C)C)C4(C)C)n3)CC2)cc1	771057492	OOHPKOWLCZQLMF-KNQAVFIVSA-N	424.545	3.675	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Cn2cccn2)cc1	771058286	MITATFNMLVPKDL-OAQYLSRUSA-N	424.932	3.685	10	20	HHCD	
CCN(C(=O)NCCCSc1nccs1)[C@H]1CCN(Cc2ccccc2)C1	771772405	OFUCQVNGOCARKS-SFHVURJKSA-N	404.605	3.931	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H](OC1CCOCC1)c1ccccc1	771854699	CWWORRCQIYJCQM-RLWLMLJZSA-N	423.601	3.853	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccccc4)c3C)CC2)cc1F	772449104	DHQPVEMWXMSQDX-UHFFFAOYSA-N	409.465	3.683	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773615347	WGMLGHZVLHTKKS-AWEZNQCLSA-N	418.925	3.804	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1OCc1cscn1)c1ccc(N(C)C)cc1	773845504	HUGASJGFRGIIRC-OAHLLOKOSA-N	424.526	3.604	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1O	775072678	XYVWYRDYXCJCAK-MRXNPFEDSA-N	413.396	3.720	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1)c1ccc(N(C)C)cc1	776268201	BNWXUACVXVSLDW-OAHLLOKOSA-N	415.497	3.898	10	20	HHCD	
O=C1N[C@@H](c2ccccc2)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	777666927	KCCPXQIGFKBYHU-WMZOPIPTSA-N	401.413	3.550	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1	779678005	ZGDFMMGJRKNCEW-UHFFFAOYSA-N	403.523	3.881	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(OC(F)(F)F)cc1	780361129	MVWHBPMDGKYYCM-HZPDHXFCSA-N	410.436	3.878	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cn1	781646362	KLNYPOCTBURZKD-UHFFFAOYSA-N	420.472	3.621	10	20	HHCD	
CCc1ccc([C@H](NC(=O)C(=O)NCCCSc2nccs2)C(C)C)cc1	785492607	DDKKPWSNROUJBV-QGZVFWFLSA-N	405.589	3.817	10	20	HHCD	
CO[C@@H]1CCOc2c(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cccc21	790566842	AFWNGDYFMRKFRO-IIBYNOLFSA-N	411.502	3.876	10	20	HHCD	
CCOc1ccc(NCc2ccc(N(CC)CC)c(F)c2)cc1S(=O)(=O)N(C)C	796403050	WVSUMQZVTURWKB-UHFFFAOYSA-N	423.554	3.933	10	20	HHCD	
C[C@@H](NCCCN1C(=O)c2ccccc2C1=O)c1cc(Br)c(F)cc1O	797073505	ALPFTZRNXPJKTH-LLVKDONJSA-N	421.266	3.631	10	20	HHCD	
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1cc(Br)ccc1O	798502868	WZUKWCVSLAKNBZ-SFHVURJKSA-N	405.292	3.685	10	20	HHCD	
Fc1cc(CNC2CCC(C(F)F)CC2)ccc1N1CCN(c2ncccn2)CC1	799715800	UOZQQIBGFVZWAJ-UHFFFAOYSA-N	419.495	3.856	10	20	HHCD	
CC[C@H]1CN(C(=O)c2ccccc2SCc2csc(C)n2)C[C@@H](C)S1(=O)=O	805398404	JGVHUTVEBGHVID-CJNGLKHVSA-N	424.613	3.782	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccnc4c3ncn4C)c2C)c1	805671876	CKEYVKVSTTVCBT-UHFFFAOYSA-N	402.454	3.724	10	20	HHCD	
CCNC(=O)COc1ccc(CN[C@H](CC)c2cccc(Cl)c2O)cc1OC	806131095	GSOYDIPTCYQRKG-QGZVFWFLSA-N	406.910	3.810	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C	807192001	MWGVLDRCPGSEBH-AOMKIAJQSA-N	411.521	3.680	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccc(C2CC2)cc1	808902397	RGSBGEJHTVNJNO-UHFFFAOYSA-N	405.542	3.829	10	20	HHCD	
O[C@@H](c1ncc[nH]1)C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1	809654767	OILPAEUGPZUOSE-XMMPIXPASA-N	402.542	3.918	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)ccc1O	811703710	AZMLZBBPDXINOI-UHFFFAOYSA-N	412.467	3.837	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(Cl)c(F)cc3Cl)cc2)C1	815074241	MXJSMLZQAQVYKM-CYBMUJFWSA-N	424.303	3.764	10	20	HHCD	
Cc1ccc([C@@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)c2cncn2C)cn1	816320408	TUUXJHIZOUFPEA-JOCHJYFZSA-N	401.470	3.872	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cn(C(C)(C)C)nc1C	819518915	KKNUPAVWOPSXSE-UHFFFAOYSA-N	414.550	3.949	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)N2CCc3sccc3C2)c(C)n1-c1ccccn1	914908195	XYJCKHFQPQWLHN-MRXNPFEDSA-N	409.511	3.681	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2)C[C@@H](C)O1	918036593	XMYDKNZTMLXURB-HDICACEKSA-N	423.561	3.958	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)C2CC2)cc1	918066830	OUUUAFPXGCQHMI-XMMPIXPASA-N	422.573	3.500	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnn(Cc4ccccc4)c3)cc2F)C[C@H](C)O1	918138068	GYHYIIWUOUIACW-ROUUACIJSA-N	422.504	3.614	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccccc3NC(=O)NC(C)C)CC2)cc1	918665606	PZLXSWLECMOYJF-UHFFFAOYSA-N	410.518	3.578	10	20	HHCD	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1C	918745597	HYMUBGMPKKSWFX-UHFFFAOYSA-N	405.520	3.877	10	20	HHCD	
CN(Cc1cccnc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	920426060	DOUHJTNRFJUMBA-LFIBNONCSA-N	417.581	3.783	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1	1318716915	GHXROERQVFYTLV-RDJZCZTQSA-N	408.951	3.833	10	20	HHCD	
S=C(NCc1ccc(N2CCCC2)cc1)NC1CCN(Cc2ccccc2)CC1	63148481	DEKJUQYVFDQJCH-UHFFFAOYSA-N	408.615	3.916	10	20	HHCD	
Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	109181208	AGSXGBVXXKKJHR-OAHLLOKOSA-N	411.527	3.968	10	20	HHCD	
CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	140016847	CJNNZQZPSKVRIE-MRXNPFEDSA-N	413.543	3.748	10	20	HHCD	
O=C(COc1ccc(Br)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	248006960	UKUKPUNEFAKFFY-GOSISDBHSA-N	420.303	3.741	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)n(C)c2ccccc12	472222624	RCCNMCSJGYKOSD-QZTJIDSGSA-N	412.578	3.518	10	20	HHCD	
Cc1ccc2ncc(-c3noc(-c4ccc(NC(=O)C5=S=CC=C5)c(C)c4)n3)n2c1	575738996	ZTTUSMKHZGUTIW-UHFFFAOYSA-N	415.478	3.884	10	20	HHCD	
CC1CCN([C@H](C)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	726707790	BTZBSJFOAROVNP-QGZVFWFLSA-N	424.536	3.676	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(C)s2)cs1	727245510	BEGTZCMCYCGEJG-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(F)c(Cl)c3)n2)c[nH]1	727247900	STUJEWUTDFRIMH-UHFFFAOYSA-N	415.855	3.518	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SCCCS(C)(=O)=O	728441530	KGTDYSPUJWTVFJ-UHFFFAOYSA-N	403.367	3.859	10	20	HHCD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728837397	RRXQVYJCZSYGFQ-YJBOKZPZSA-N	402.457	3.618	10	20	HHCD	
COC(=O)COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1	728838630	LARWFDSQTMHCKT-UHFFFAOYSA-N	424.419	3.509	10	20	HHCD	
CC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1cccc(S(N)(=O)=O)c1	729537224	COOPYSGTOLFLRS-NRFANRHFSA-N	411.527	3.623	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(CC)CCc3ccccc3)cc2F)CC1	730133450	SPNYKKKTFPMYCR-UHFFFAOYSA-N	412.553	3.742	10	20	HHCD	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N(CC(F)F)C1CC1	730237872	UFYGCVAATNBHAQ-UKTHLTGXSA-N	416.540	3.986	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1cc(=O)n2ccccc2n1	731036978	VTYXXIVAFNWFKV-UHFFFAOYSA-N	420.513	3.672	10	20	HHCD	
O=C1[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1c1ccccc1F	732820086	DCYCDENAULHHCV-GOSISDBHSA-N	412.465	3.619	10	20	HHCD	
CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCc2cccc(OC)c2O)c(C)c1	737285326	AWZAZRLJYCCYLJ-CQSZACIVSA-N	402.516	3.855	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	741077914	AWOOXOZHMQRPPX-NJYVYQBISA-N	417.619	3.975	10	20	HHCD	
CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N2CC=CC2)cc1	741091950	LNQNFIKWVNMSLM-UHFFFAOYSA-N	414.500	3.614	10	20	HHCD	
C[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)n1nnc(-c2ccccc2)n1	742496678	BLINGVDHHAIVTA-GOSISDBHSA-N	404.518	3.550	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cnn(-c2ccccc2)c1	743808760	DBEPDHWJCDGKKK-UHFFFAOYSA-N	414.303	3.932	10	20	HHCD	
COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c1	747855880	CERVDKMNJNFTCZ-UHFFFAOYSA-N	424.525	3.776	10	20	HHCD	
Cc1noc(C)c1N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	747877582	QUKHDOFWYRMCRR-UVTDQMKNSA-N	421.569	3.997	10	20	HHCD	
CC(C)[C@H](CCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1)NC(=O)OC(C)(C)C	749557140	CUTIIRLDDIULPZ-SFHVURJKSA-N	424.561	3.973	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CCc3cccc(F)c3F)cc2F)C[C@@H](C)O1	749794470	NMOBJZIBFVQQPK-HUUCEWRRSA-N	406.448	3.967	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)c(C)n1-c1cccc(Cl)c1	753665264	MPZXHBMOZSVYLR-UYAOXDASSA-N	400.906	3.958	10	20	HHCD	
c1cc(N2CCOCC2)ccc1CNCC1(c2ccc3c(c2)OCCO3)CCCC1	754912238	WUSLMLQAAHKUNG-UHFFFAOYSA-N	408.542	3.896	10	20	HHCD	
C[C@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)cc1O	756360360	RYYDZAFEBJUZRJ-HNAYVOBHSA-N	405.336	3.879	10	20	HHCD	
CCc1cc(N2CCC[C@H](N[C@H](C)c3ccc(Br)cc3O)C2)ncn1	756713025	UMVDIHJEYJPCSU-CJNGLKHVSA-N	405.340	3.827	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)CC2)cc(OC)c1OC	759272253	NXHDOPQCSUKXPK-RTBURBONSA-N	417.550	3.513	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1	759401739	HKTZBBYYHWQDQX-UHFFFAOYSA-N	423.966	3.541	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1ccccc1C(=O)c1ccccc1	759592573	LKYJOEOXJZYHKG-QBFSEMIESA-N	417.417	3.524	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1	761037782	KDWIVVPWXQTBBO-UHFFFAOYSA-N	414.619	3.786	10	20	HHCD	
COc1ccc2c(c1)[C@@H](C(=O)N[C@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CC2	762101393	WLFSLJXADAGASF-ICSRJNTNSA-N	414.933	3.865	10	20	HHCD	
COCCn1c(C)c(C)c2cc(-c3nc([C@H]4CN5CCCC[C@@H]5CO4)no3)ccc21	762401576	MZWAYYQEFRSBSB-WIYYLYMNSA-N	410.518	3.880	10	20	HHCD	
COc1ccc([C@H](CCO)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	763398253	KYGHBUDFLVAGRX-ZHRRBRCNSA-N	404.938	3.960	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(S(C)(=O)=O)c(F)c1	765082386	VYAOAUJRPNXSQB-OAHLLOKOSA-N	408.564	3.633	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)/C=C/c3ccc4[nH]ccc4c3)cc2F)CC1	765780510	AOHQQPAVLCTTIO-VMPITWQZSA-N	406.505	3.779	10	20	HHCD	
COc1ccc2c(c1)CCCN2Cn1nc(-c2ccccc2)c2c(C)onc2c1=O	766341733	OGHDSVSIHMNQHI-UHFFFAOYSA-N	402.454	3.779	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)CC2)cc1F	769175391	HXFJXLXNYSWUIY-QGZVFWFLSA-N	405.514	3.548	10	20	HHCD	
Cc1cc(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C)n1-c1ccc(F)cc1	769313807	IRIWHCQLJOZTTI-GOTSBHOMSA-N	413.537	3.731	10	20	HHCD	
CCC(CC)n1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	770266525	SUYXAOJVJFQHSR-HZPDHXFCSA-N	402.514	3.927	10	20	HHCD	
CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccc(N(C)C)cc3C)no2)c1	770733403	FVQQUHFAHDGKRU-UHFFFAOYSA-N	407.470	3.761	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1	773639432	LWIMRNQIJJGNOF-UHFFFAOYSA-N	408.424	3.542	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1O	775056022	TWRODNKGCUGYTC-MRXNPFEDSA-N	412.364	3.901	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2c(F)cccc2F)nc1-c1ccccc1	775206533	BUMGODNRAWTJNP-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
C[C@H](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	775258116	QQPVEDUIKDNLIY-IRXDYDNUSA-N	401.938	3.705	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1	775369310	NMDULYYMIGDFLT-SNVBAGLBSA-N	400.809	3.945	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccnn1Cc1ccccc1Cl)c1ccc(N(C)C)cc1	775835186	FYRUQVDUANKQIS-INIZCTEOSA-N	411.937	3.940	10	20	HHCD	
Cc1cc(C(=O)CN2CCS(=O)(=O)c3ccccc3C2)c(C)n1-c1ccccc1	775888431	ZABRRYWNFQWEPB-UHFFFAOYSA-N	408.523	3.566	10	20	HHCD	
COc1ccc(O)c(CNC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1	776002824	VGOAEDJVCHCRLH-LIRRHRJNSA-N	408.901	3.745	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCOCC4(CCCC4)C3)cc2F)C[C@@H](C)O1	776118936	WWJKPOAFDSPCKS-HDICACEKSA-N	419.541	3.542	10	20	HHCD	
CSCCCCCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	776416180	NQPNHFZGHLLLSC-UHFFFAOYSA-N	412.467	3.633	10	20	HHCD	
Cc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	777144840	ZCCVOLJWKNKHDS-CYBMUJFWSA-N	404.308	3.639	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@H](c1c(F)cccc1F)C(F)(F)F	780421106	CENHQKJAXAYKJS-LJQANCHMSA-N	415.406	3.882	10	20	HHCD	
CC(C)COc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cn1	784106994	BNQVELHJBKOJFL-UHFFFAOYSA-N	410.518	3.861	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)Cc3ccco3)cc2Cl)C1	787978496	YZFDMSALLNXMMT-HOTGVXAUSA-N	417.937	3.533	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccc(-c3ccccc3)o2)C2CC2)cc1	788484391	VTLYCQCIDHOKIP-UHFFFAOYSA-N	417.509	3.820	10	20	HHCD	
C[C@H]1CN(c2ccnc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)C[C@H](C)O1	789950673	UFIMEWRDVHSPPF-PMACEKPBSA-N	422.573	3.958	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCSc1ccccn1	791250988	VPNRAOLNSGDBCY-UHFFFAOYSA-N	415.559	3.952	10	20	HHCD	
CN(C)S(=O)(=O)c1cccc2c1CCN(Cc1cc(-c3ccccc3)ccc1O)C2	793606465	LNSLQKHWSOLXEP-UHFFFAOYSA-N	422.550	3.868	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)c(O)c1	794370616	QSZKOSLWBWYISZ-UHFFFAOYSA-N	417.465	3.866	10	20	HHCD	
COc1ccc(CNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c(O)c1	794378207	DNLLBVVFBDOJFL-UHFFFAOYSA-N	409.339	3.674	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cccc3nsnc23)n1	799183226	GMRMSICJRLVTCZ-UHFFFAOYSA-N	418.525	3.933	10	20	HHCD	
O=C(O)c1cnc(-c2ccccc2)nc1/C=C/c1ccc(N2CCOCC2)c(F)c1	799892902	QHSVNUXJLRFADJ-SOFGYWHQSA-N	405.429	3.988	10	20	HHCD	
Cc1nn(C)c(C)c1OCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800048607	GNBFBEYGUWYOAH-AWEZNQCLSA-N	404.942	3.622	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1O	800902063	TUTIDELNLHSFHD-MRXNPFEDSA-N	420.307	3.559	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1F	803662792	NAJPLWLAVDIKAQ-UHFFFAOYSA-N	419.500	3.852	10	20	HHCD	
CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	805025685	UAJCMXKRKNMULZ-LEWJYISDSA-N	417.619	3.672	10	20	HHCD	
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)NCc1cc(Cl)cc(Cl)c1O	807080928	KIIZIIULYZYPMF-SNVBAGLBSA-N	406.310	3.802	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807513736	UNVBAZHVUNYHHI-UHFFFAOYSA-N	403.649	3.616	10	20	HHCD	
CS[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1	807763139	PQNROMOMGPBSQC-DJIMGWMZSA-N	424.010	3.593	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C	808917366	ULJAUJFABCFGMN-HXUWFJFHSA-N	417.500	3.893	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc2ccccc2n1C1CC1	808930046	TXHDRSHZYDVGDE-UHFFFAOYSA-N	420.513	3.522	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(-c2ccccn2)cc1	810348646	QIFIZOGKHFQLRD-UHFFFAOYSA-N	400.482	3.604	10	20	HHCD	
CCn1c(Cc2ccccc2OC)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812025605	BJHRJJBWORCBTL-UHFFFAOYSA-N	421.545	3.623	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C2CCC(OC[C@H]3CCCO3)CC2)C2CC2)cc1	814932327	CUNMOIVOQHZYAC-ZUEZHPSSSA-N	400.563	3.998	10	20	HHCD	
COc1ccc(N2CCCN([C@@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)CC2)cc1	815021137	CQALMBWYWVJNEH-FDDCHVKYSA-N	411.521	3.709	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cnn(-c3ccccn3)c2N)cc1)C1CCCCC1	815133402	XSABHOVVSMMTGR-UHFFFAOYSA-N	404.518	3.548	10	20	HHCD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	843460942	DRHMPQDGNQZBGI-UEVCKROQSA-N	402.579	3.959	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCOCC(F)(F)F)c(C)n1-c1cccc(F)c1	914669526	PJGMGELVFYRPHY-UHFFFAOYSA-N	401.356	3.928	10	20	HHCD	
CC(C)C(=O)N1CCC(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	915760181	ZPYMGJJITVWVOG-UHFFFAOYSA-N	421.501	3.804	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1	916503204	YNEPZXJVJCJVAQ-HXUWFJFHSA-N	411.521	3.841	10	20	HHCD	
Oc1ccccc1CN(C[C@H](O)CO[C@H]1CCCc2ccccc21)C[C@H]1CCCO1	916633079	GUGGSIURDQTMOV-FBLLAGFSSA-N	411.542	3.828	10	20	HHCD	
O=[N+]([O-])c1cc(CNC[C@@H]2CCN(CC(F)(F)F)C2)ccc1N1CCCCC1	916835321	PRQUPLFHAJSHSD-INIZCTEOSA-N	400.445	3.559	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Cl	918458016	ZXDKTPQRBGNKNQ-UHFFFAOYSA-N	401.894	3.544	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1	918710302	XCJUQVXFVUAOAN-HXUWFJFHSA-N	409.530	3.523	10	20	HHCD	
O=C(NCCc1coc(-c2ccccc2)n1)NCc1cccc(Br)c1O	1321156755	IPYSTCCHBHYRLZ-UHFFFAOYSA-N	416.275	3.852	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)c1	1324017260	VLGUKEKPSQVHQQ-OAQYLSRUSA-N	406.910	3.570	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc2F)CC1	1324716529	MPXKYSFXEAGTTP-IBGZPJMESA-N	407.537	3.833	10	20	HHCD	
CCCCOC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	14674502	FKMXKMBFBGLDAA-UHFFFAOYSA-N	400.814	3.616	10	20	HHCD	
CN(c1ccc(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1)C1CCCCC1	64114934	KQNJHODSVPETKU-UHFFFAOYSA-N	418.519	3.623	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)c(O[C@@H]2CCOC2)c1	472036740	FSEXEHPHLMWQHJ-LJQANCHMSA-N	407.514	3.962	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)n(C)c2ccccc12	557666466	CCBNFANEVNQGCC-QFIPXVFZSA-N	407.489	3.900	10	20	HHCD	
COc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1-n1nnnc1C	726547761	RRUCXFAXCQLNDJ-UHFFFAOYSA-N	420.448	3.778	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCN([C@H](C)c4ccccc4)C3)CC2)cc1	726612652	JBSDLUXUFIAUEZ-KNQAVFIVSA-N	422.573	3.799	10	20	HHCD	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cc1OC	726627613	OZDFOIXDSHGMTG-GZTJUZNOSA-N	414.508	3.599	10	20	HHCD	
COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1O	729859900	ZHZZLGNNHJKWHP-MRXNPFEDSA-N	423.296	3.629	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)C[C@@H](C)c3ccccc3)cc2F)CC1	730133437	RXIMWPDBKRCZCU-LJQANCHMSA-N	412.553	3.913	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C(F)(F)c3ccc(F)cc3)cc2F)CC1	730192501	CELSOSPRBNPIHR-UHFFFAOYSA-N	409.427	3.515	10	20	HHCD	
CCN(CC)c1ccc(CNc2ncccc2S(=O)(=O)N2CCCCC2)cc1	731206227	CATRTEOMLXPLPC-UHFFFAOYSA-N	402.564	3.715	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	731278484	DENCCGBDHWNYNN-NRFANRHFSA-N	415.509	3.526	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccc(N(CC)CC)c(F)c1	731403738	URMDLBQEACCANM-UHFFFAOYSA-N	414.525	3.520	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)cc1F	731404695	ODRCBYVWICICCB-CQSZACIVSA-N	401.486	3.723	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1	732757754	WSWWFWUSGWGYGC-UHFFFAOYSA-N	418.563	3.896	10	20	HHCD	
COC(=O)Nc1ccccc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	733133052	GUGDUWRCSNACOU-GJZGRUSLSA-N	415.465	3.548	10	20	HHCD	
CCSc1cccc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1	733846950	YOUQXNYDXYXPDE-UHFFFAOYSA-N	414.575	3.751	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c(C)n1-c1ccc(Br)cc1	733984879	ORFDSYNNLBJFIJ-MRXNPFEDSA-N	413.319	3.867	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)ccc21	734391013	UXQDJMMOIRHHBH-SIKLNZKXSA-N	411.933	3.558	10	20	HHCD	
C[S@@](=O)c1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	735574914	QVYBGDRNJGEQTP-GDLZYMKVSA-N	423.485	3.816	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc2nc(C3CC3)sc2c1	741099512	BRWWZCLONSZBIN-UHFFFAOYSA-N	418.522	3.805	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1)C1CCCCC1	742416256	RFZDRFZZEWQOMX-IBGZPJMESA-N	409.530	3.713	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@]3(C)c3ccccc3)cc2F)C[C@@H](C)O1	743555299	VEGJIKYZEBEIET-PXZOFWEESA-N	411.521	3.969	10	20	HHCD	
C[C@@H](Cc1cccc(O)c1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745736964	MEQOVZJXSWSFQU-DOTOQJQBSA-N	419.472	3.893	10	20	HHCD	
CCCN(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	745780681	WUHRUROHWPLAGK-UKTHLTGXSA-N	413.362	3.519	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3c(Cl)cccc3Cl)nc12	746133150	HRGGLFYKFBMVHO-UHFFFAOYSA-N	409.273	3.550	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(OC)cc2OC2CCCC2)c1	747954440	HNLRTQCZUZDYOG-UHFFFAOYSA-N	400.475	3.730	10	20	HHCD	
COc1cccc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1	749129334	IEKMMNGHSVKEOD-SFHVURJKSA-N	421.520	3.802	10	20	HHCD	
CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1(CC)CC	749556153	XGZZYHBZAKHPGN-SFTDATJTSA-N	421.557	3.570	10	20	HHCD	
Cc1c(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)oc2ccc(F)cc12	751136193	FNQSDSGOULFPIV-QGZVFWFLSA-N	419.474	3.956	10	20	HHCD	
Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	752022600	CSTACNVPGGYSEE-QGZVFWFLSA-N	412.490	3.642	10	20	HHCD	
O=C(Nc1cccc2ccsc12)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	752382150	OTWQHMCPRZFJNH-QGZVFWFLSA-N	410.495	3.753	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cc(Cl)ccc2O)s1	756480142	RDPGMIVDFQPMQE-LBPRGKRZSA-N	402.969	3.988	10	20	HHCD	
COc1cc(Cl)cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1O	758816008	PAOSTUFWWQBUJT-JYRVWZFOSA-N	415.920	3.900	10	20	HHCD	
Cc1cc(Br)ccc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O	759115745	HEHFIPYGIUTACL-WQLSENKSSA-N	400.319	3.824	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3csc4ccccc34)CC2)cc(OC)c1OC	759219557	CSFCEXSIJKLAKN-UHFFFAOYSA-N	412.511	3.890	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cc(F)ccc3C)CC2)cc(OC)c1OC	759926898	DHUQUPLSKOFIDE-UHFFFAOYSA-N	403.454	3.514	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)c(C)n1-c1ccccn1	760552720	AGERQLQODKVZHJ-NRFANRHFSA-N	420.582	3.837	10	20	HHCD	
Cc1c(Cl)cc(F)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1F	761861919	QYKCITXWQRTDCX-UHFFFAOYSA-N	407.848	3.782	10	20	HHCD	
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCOc2cc(N(C)C)ccc21	762343955	KKUMVAXZWZAAEO-GFCCVEGCSA-N	404.854	3.540	10	20	HHCD	
O=C(NCc1cccc(CN2CCCC2)c1)NCc1cccc(Br)c1O	764764119	YBSBTJYVGFZQTR-UHFFFAOYSA-N	418.335	3.750	10	20	HHCD	
C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1Cl	765238923	QHFMQFNBFDKHEB-MRXNPFEDSA-N	422.978	3.572	10	20	HHCD	
CCN(C)c1ccc([C@H](C)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1	765778502	HKBDLNZTNCBRBO-SFHVURJKSA-N	403.592	3.821	10	20	HHCD	
COc1ccc(N2CCC(NCC3(CN4CCOCC4)CCCCC3)CC2)cc1	766527954	TZLOMMGQZAYFMO-UHFFFAOYSA-N	401.595	3.536	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	767830060	GDBHPZHCCCOLJC-HXUWFJFHSA-N	419.566	3.517	10	20	HHCD	
Cc1ccc(CS(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1F	768813969	AFTWQOHUFJLAHG-IYBDPMFKSA-N	424.513	3.506	10	20	HHCD	
COC(=O)C1=NOC2(CCN(C(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)CC2)C1	771456212	WECIBZUCZGCOMD-UHFFFAOYSA-N	423.513	3.635	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)cc1	771512959	WUBSUXISHFQFBA-UHFFFAOYSA-N	408.590	3.725	10	20	HHCD	
C[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccc(N(C)C)cc1	773988991	ZLLMAJVZVTZSOZ-INIZCTEOSA-N	412.511	3.811	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@H](C[C@H]4CCOC4)C3)CC2)cc1	774194617	YKQCPGWHXBMEEZ-RTBURBONSA-N	401.551	3.512	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OC(F)(F)F)c1	775548760	PPEBLHYAQSXZDH-OAHLLOKOSA-N	409.452	3.960	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CSc1nnnn1C1CC1	777826342	KSNPPNPMZUGPBY-HNNXBMFYSA-N	409.515	3.596	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(NC(=O)OC)cc2)cc1	777864585	IRRYGLKVLUVZRY-UHFFFAOYSA-N	405.520	3.532	10	20	HHCD	
C[C@@H](N[C@H]1CCn2ccnc2C1)c1cc(Br)cc(Br)c1O	779064912	JNXDHIGWUONXBZ-KOLCDFICSA-N	415.129	3.779	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cnc21	784106902	ADDMJHRJNHYMSU-UHFFFAOYSA-N	420.517	3.756	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CN(c2ccccc2)C1=O	785062096	LBBKMUQPNWJYLC-FQEVSTJZSA-N	413.437	3.572	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)CC1	786071181	VKMUPDJWMNFGCS-UHFFFAOYSA-N	422.407	3.894	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CCC(C)(C)c3ccccc3)cc2)CC1	786258301	BTJOPEOKISOGTF-UHFFFAOYSA-N	407.558	3.729	10	20	HHCD	
Cc1cc(C)nc(-n2nccc2NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1	789304655	CFXVXBCRBGRYIL-UHFFFAOYSA-N	419.533	3.837	10	20	HHCD	
O=C(Nc1nc(C2CCC2)cs1)C(=O)N(Cc1ccco1)Cc1ccccc1O	789371424	XCUUWLFCBNVFFX-UHFFFAOYSA-N	411.483	3.877	10	20	HHCD	
COc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c(OCCOC(C)C)c1	789816329	KEBLIXCNOBLZHJ-HNNXBMFYSA-N	403.475	3.704	10	20	HHCD	
C[C@H](O)C[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	790763442	CWFMCAQEEBFVQO-BQFCYCMXSA-N	411.493	3.592	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1	790773512	YURMTISWYUNOOW-KUHUBIRLSA-N	407.297	3.877	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)CC1	791037961	JWAMZEHSLPNXCH-ALCCZGGFSA-N	416.518	3.751	10	20	HHCD	
Cc1cc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C=O	793100465	DPUNRHKJSUHHHQ-UHFFFAOYSA-N	420.431	3.901	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H](CCO)c3ccc(Cl)c(Cl)c3)cc2)CC1	796481387	FVGHJRARYVBKBO-NRFANRHFSA-N	408.373	3.959	10	20	HHCD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	799688970	ABWRQVPLYPRCKQ-GOSISDBHSA-N	406.482	3.652	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cc2Cl)C1	799994914	RLHYHJGBTJQMNQ-HBGVWJBISA-N	421.969	3.666	10	20	HHCD	
CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800049154	GMRUWVWXISGWRQ-JXFKEZNVSA-N	405.970	3.984	10	20	HHCD	
Cc1cc(C(=O)OC[C@@]2(C)CNC(=O)C2)c(C)n1-c1ccc(Br)cc1	802194150	UKRHLPPOFCANTQ-LJQANCHMSA-N	405.292	3.540	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CCN2CCCC2)cc1	802610274	YACWIJRUZOKSQZ-UHFFFAOYSA-N	423.557	3.798	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cnn(C)c1-c1ccccc1	806778082	XYVJUFXMWSLTFO-UHFFFAOYSA-N	405.502	3.588	10	20	HHCD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1cc(F)ccc1O	809679297	DHZKSWXEOFLNIF-UHFFFAOYSA-N	408.495	3.717	10	20	HHCD	
COc1cc(Cl)cc(CN[C@H](CO)c2ccc(Br)c(F)c2)c1O	814177849	RCGUBSPFZPLJGX-CQSZACIVSA-N	404.663	3.779	10	20	HHCD	
Cc1cccc(C(=O)O)c1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O	821759814	FODWMDQXHYRKBY-UHFFFAOYSA-N	414.417	3.742	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)CC2)cc1F	857464365	DCQVFJVRLIADKY-UHFFFAOYSA-N	408.477	3.804	10	20	HHCD	
C[C@H]1CCCN(Cc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)C1	918303789	GSKMDIABTHXALZ-IBGZPJMESA-N	422.573	3.582	10	20	HHCD	
CC(C)Oc1ccc(Cl)cc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1	919878237	KYBDZNLFQZXNLU-UHFFFAOYSA-N	422.934	3.614	10	20	HHCD	
Cc1cc(C(=O)CONC(=N)COC(C)C)c(C)n1-c1ccc(OC(F)F)cc1	920403122	UPJWNXKARUIOCL-UHFFFAOYSA-N	409.433	3.802	10	20	HHCD	
Cc1cc(C(=O)OCc2nc(O)c3cnn(C)c3n2)c(C)n1-c1ccc(C(C)C)cc1	920507330	RBZRLYPAKDKPJN-UHFFFAOYSA-N	419.485	3.957	10	20	HHCD	
CCOC(=O)c1sc(NC(=O)CN(CC)c2ccc(OC)c(OC)c2)cc1C	921061780	LNAHUBAERJKTAN-UHFFFAOYSA-N	406.504	3.715	10	20	HHCD	
O=S(=O)(Cc1ccc(-c2nnc(C3=S=C4CCCC4=C3)o2)o1)c1ccccc1	1117160490	AEKNZMFRUYMANN-UHFFFAOYSA-N	412.492	3.854	10	20	HHCD	
Cc1cc(-c2nnc(CN(C)C(=O)[C@@H](C)n3cccn3)o2)c(C)n1-c1ccccc1	1117164636	FXSIYSCPZGRNEF-QGZVFWFLSA-N	404.474	3.560	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cc(Br)c(C=O)n3C)cc2)CC1	1318858201	SJBXRAKMRGTBTE-UHFFFAOYSA-N	418.335	3.766	10	20	HHCD	
CC(C)[C@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1	11193339	XEJLJLRDRGZKMW-DEOSSOPVSA-N	413.537	3.608	10	20	HHCD	
Cc1nn(C)c2ncc(C(=O)OCC(=O)c3cc(C)n(-c4ccccc4)c3C)cc12	24148785	VMLREHITZKUURC-UHFFFAOYSA-N	402.454	3.724	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3ccc(C(F)(F)F)cn3)CC2)cc1	24548239	BJQPFQPYQFTBPP-UHFFFAOYSA-N	411.449	3.550	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(N2CCCCC2)c1	143102485	RUSBUPPACPSLSD-UHFFFAOYSA-N	406.530	3.532	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1cc(C(=O)NC2CC2)c2ccccc2n1	301082186	UZQJJMSBXSJVQV-UHFFFAOYSA-N	416.525	3.600	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3ccc(OC[C@@H]4CCCO4)cc3)SC2=S)cn1	726196943	HJGMQEJOXDTXSU-PGLQMZEQSA-N	415.540	3.867	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)(C)c1ccccc1	728128605	BVRUOHDMALOEHZ-UYAOXDASSA-N	422.573	3.554	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)c1	728978930	WSDZGULSKIWASV-LBPRGKRZSA-N	416.474	3.616	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1O	729861438	NDGYIIIZJSZLAR-QGZVFWFLSA-N	404.894	3.515	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](c3ccccc3)C3CC3)cc2F)CC1	730116914	SHVNLPCOJXXOTG-HSZRJFAPSA-N	410.537	3.918	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F	730590715	TXLHEGSMVHNZLY-UHFFFAOYSA-N	410.783	3.917	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)CC(C)(C)C)cc1	732114642	JPELENWCJZMHAZ-UHFFFAOYSA-N	411.546	3.847	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OCCN2CCCC2)cc1	732471405	BVTORTUZAOBGBP-UHFFFAOYSA-N	411.546	3.989	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@@H](c3ccccc3)C[C@H]2C)c1	734477924	VKPADRMCSKFRFQ-GCJKJVERSA-N	408.542	3.805	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCCC3)cc2)c1	734953696	BETBHXPIDKXOHA-HNNXBMFYSA-N	412.486	3.928	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CSc4ccccc43)cc2F)C[C@@H](C)O1	735633708	UOHHECQOXYMHOS-IIDMSEBBSA-N	400.519	3.945	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C	740919571	BAYLAHFABHDZHC-QZTJIDSGSA-N	414.550	3.602	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1nnc(Cc2ccc(F)cc2)s1	741068477	YRSIHYYRTZVSBY-UHFFFAOYSA-N	409.490	3.966	10	20	HHCD	
Cc1cc(C(=O)NCCc2cccc(C(=O)N(C)C)c2)c(C)n1-c1ccc(F)cc1	741712891	SADATPBPPUZJIV-UHFFFAOYSA-N	407.489	3.908	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C)Oc3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1	743632472	SFRAUAYIIKLKAW-RBSFLKMASA-N	422.447	3.801	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H](C)Oc3ccc(F)cc3)CC2)cc1	743678631	OIKPUIJDXSHZPJ-KRWDZBQOSA-N	401.482	3.524	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cccc(N2CCCCCC2)c1	749730893	ZDKSCGZKVCVTJW-UHFFFAOYSA-N	418.588	3.761	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1ccc(Oc2ccncc2)cc1	749731561	SRPFKXCAZPGTHU-UHFFFAOYSA-N	414.512	3.568	10	20	HHCD	
COc1ccc(C(=O)CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F	751388907	QJCQXFGAPGSONL-GOSISDBHSA-N	415.461	3.711	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1	751400227	MNBUWNWNPOOLBM-SFHVURJKSA-N	401.438	3.621	10	20	HHCD	
CCCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1	751428578	YIHZQZRCOHWTRS-UHFFFAOYSA-N	404.514	3.591	10	20	HHCD	
COc1cc(C2=N/C(=C\c3ccc4c(c3)CCN4C)C(=O)O2)ccc1OC(F)F	751522749	INHDXQAVIYIZST-GDNBJRDFSA-N	400.381	3.633	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	751930416	DYILWYCLUSMQEL-OAHLLOKOSA-N	417.531	3.730	10	20	HHCD	
CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	754661244	JBWWMNIMYCMXOA-QAPCUYQASA-N	413.509	3.599	10	20	HHCD	
CC1=C(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCO1	755928724	JFOQPIAXSODVSO-LJQANCHMSA-N	403.523	3.519	10	20	HHCD	
C[C@@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(N2CCCCC2)cc1	756049765	KNEFRAXJQUAWAM-GOSISDBHSA-N	407.624	3.920	10	20	HHCD	
CCc1cc(N2CCC(N[C@@H](C)c3cc(Br)ccc3O)CC2)ncn1	756637325	JOVCHGOXPBECMJ-ZDUSSCGKSA-N	405.340	3.827	10	20	HHCD	
C[C@@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(Br)cc1O	756678826	YNZLQYRIWYZNBA-ZYHUDNBSSA-N	411.246	3.889	10	20	HHCD	
CCCC1(CNC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)CCC1	759286739	GXHDSAQZTRPTEG-UHFFFAOYSA-N	405.539	3.514	10	20	HHCD	
CCOc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1	759502311	ZOHVAQOSWAWFIL-UHFFFAOYSA-N	403.910	3.840	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)Nc1ccccc1Cc1ccccc1	759589342	RMRMOPRMTIXURU-QBFSEMIESA-N	403.434	3.884	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCCN(Cc2ccc(F)cc2)CC1	759602818	MGOXGIWPDLVTDU-UHFFFAOYSA-N	408.568	3.682	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1ccccc1OC(F)F	761000416	BJRDVBFVXVERCB-UHFFFAOYSA-N	410.804	3.654	10	20	HHCD	
CC(C)COC[C@H](c1ccco1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761163289	XEFINTPVIDDKGM-MRXNPFEDSA-N	406.866	3.817	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC1CCN(CC2CCCC2)CC1	764769302	VIHGFHWBDYVAKF-UHFFFAOYSA-N	410.356	3.609	10	20	HHCD	
CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	765327712	BQJBXEWVNNXNIC-QZTJIDSGSA-N	417.575	3.697	10	20	HHCD	
Cc1nc(NC(=O)NCc2cccc(Br)c2O)ccc1Br	765345865	RGOGSUJHQSYHFV-UHFFFAOYSA-N	415.085	3.942	10	20	HHCD	
C[C@@H](NCCCN1CCN(c2ccncc2)CC1)c1ccc(N2CCCCC2)cc1	765519015	HAVBUYWAYTWPNH-JOCHJYFZSA-N	407.606	3.935	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H](c1ccccc1)N1CCCCC1=O	765763481	BRLVJHGKTJTENP-GOSISDBHSA-N	417.303	3.525	10	20	HHCD	
CCOc1ccc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(O)c1	769206507	NZABLJHXRXDVHM-INIZCTEOSA-N	401.482	3.964	10	20	HHCD	
CCC[C@H]1SCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769859793	TZVFYTPAPPQVHN-OAHLLOKOSA-N	412.558	3.570	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1	772165936	HQNIHMXWMUZRIF-NRFANRHFSA-N	423.517	3.568	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(-c4cncnc4)cc3F)CC2)cc1	773793541	MCTBSKZXYQELKO-UHFFFAOYSA-N	406.461	3.644	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccc(N(C)C)cc1	773988994	ZLLMAJVZVTZSOZ-MRXNPFEDSA-N	412.511	3.811	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1nnc(-c2c(F)cccc2Cl)s1	775898702	SDEGTPTWTBCFNG-UHFFFAOYSA-N	408.842	3.773	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1OC	776175713	XAKRFOLIPGCBAH-CQSZACIVSA-N	412.408	3.677	10	20	HHCD	
C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(N2CCOCC2)cc1Cl	777090532	MWXHDHWSDZPUJK-CQSZACIVSA-N	401.894	3.705	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c1O	779005707	YDAPUDOWBIGTOK-LSDHHAIUSA-N	420.351	3.934	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(OC(F)(F)F)cc1	780361130	MVWHBPMDGKYYCM-JKSUJKDBSA-N	410.436	3.878	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cn(-c2cccc(Cl)c2)nn1	782522364	FMTRHNGVFMWQLO-UHFFFAOYSA-N	415.844	3.883	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cc1F	789446273	JQANEGMZLRVFFL-UHFFFAOYSA-N	402.426	3.713	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCCc1ccc(O)c(O)c1	790893222	DJSXBPOQVMUSDT-UHFFFAOYSA-N	400.475	3.736	10	20	HHCD	
Cc1nc2ccc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2n1C	793575670	AJCSFEQTDXESEP-MRXNPFEDSA-N	414.456	3.882	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1	797434380	SXDQRXPMYWYKPT-FQEVSTJZSA-N	408.546	3.727	10	20	HHCD	
Cc1csc(=O)n1CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800048418	AUULTRZDPXSBLT-AWEZNQCLSA-N	407.967	3.814	10	20	HHCD	
O=C1CCc2cc(Cl)c(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)cc21	800924789	FSFXNGOOPFJZER-UHFFFAOYSA-N	405.888	3.788	10	20	HHCD	
Cc1nc2cccc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)c2[nH]1	801913314	SOLLWKOUESXBGD-AWEZNQCLSA-N	400.429	3.872	10	20	HHCD	
CC(C)(CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccs1	806424270	JDSYXTVCRNKMEQ-UHFFFAOYSA-N	412.511	3.670	10	20	HHCD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	807702436	VMHPCAMEUZTCDK-VQTJNVASSA-N	405.608	3.670	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ncsc3C(C)C)CC2)cc1	808915586	PBLSUSJCELIUAT-UHFFFAOYSA-N	417.579	3.609	10	20	HHCD	
Cc1cc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)ccc1N(C)C	815067841	CEDUSCPHLAJQPX-QGZVFWFLSA-N	421.541	3.875	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1	822080468	OCGWOURBCQUTTK-UHFFFAOYSA-N	420.513	3.966	10	20	HHCD	
Cc1ccccc1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	822202879	UWKOYZZVSLBXLE-UHFFFAOYSA-N	414.417	3.651	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(O)n3CC)c2C)cc1	844263294	OWJPPTDQGROZSA-UHFFFAOYSA-N	400.504	3.785	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CSCC(=O)N(C)C2CCCCC2)cc1	916503256	JWGSVKNCUUZYJW-UHFFFAOYSA-N	405.608	3.673	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1C	917758218	LSTVRXFFLXSZSV-UHFFFAOYSA-N	423.343	3.864	10	20	HHCD	
CCc1cccc(CC)c1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	918437574	KBPBIHHADBTNHJ-UHFFFAOYSA-N	411.571	3.620	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc2oc3ccccc3c2c1	919730041	MMPOOQNKTYESOA-UHFFFAOYSA-N	422.506	3.901	10	20	HHCD	
C[C@@H](NC[C@@H](CO)CC1CCOCC1)c1cc(Br)cc(Cl)c1O	1256036043	XOTBDFQYCONMML-YPMHNXCESA-N	406.748	3.884	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)no1	1318205387	OXHAJCHQLNKMLZ-UHFFFAOYSA-N	405.454	3.982	10	20	HHCD	
CCOc1ccccc1N1C[C@@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1=O	105175645	LBAQRHKEQNZTGS-IBGZPJMESA-N	409.530	3.553	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CSc3ccc(C)cc3)cc2F)CC1	303317999	QPBMSMGZNZEBPQ-UHFFFAOYSA-N	401.551	3.685	10	20	HHCD	
COc1ccc(C(C)(C)CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC	303363006	SZERASDHDATHFB-UHFFFAOYSA-N	403.498	3.686	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1F	303745566	AKGYREMKGNPXSJ-LJQANCHMSA-N	407.436	3.891	10	20	HHCD	
COc1ccc(Cn2cc(C(=O)NCc3c(C)c4ccccc4n3C)cn2)cc1OC	471222741	LHBIROWJUCAISK-UHFFFAOYSA-N	418.497	3.679	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cc4cccc(OC)c4o3)CC2)cc1	726709980	YMMWHNMPLQKQMP-UHFFFAOYSA-N	409.530	3.752	10	20	HHCD	
CC(=O)N[C@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)c1c(F)cccc1F	727375409	CIVVLEQLLOXAOS-OAQYLSRUSA-N	415.484	3.839	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1	728020499	UTJNAAXCAAJJHT-UHFFFAOYSA-N	417.575	3.957	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)CC1	731017141	YBCSBOZQIKJAMD-UHFFFAOYSA-N	405.542	3.975	10	20	HHCD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ccc(N2CCOCC2)c(F)c1	739522357	CFUPJJAZOURSCA-UHFFFAOYSA-N	401.869	3.656	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	742183317	FLDDXXABGPIYEL-PMACEKPBSA-N	406.523	3.661	10	20	HHCD	
CCC(CC)N1C[C@@H](C(=O)N(CC)Cc2cc(Br)ccc2O)CC1=O	743809363	UTTUSVJXAIDDRN-AWEZNQCLSA-N	411.340	3.540	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1cn2ccccc2n1	745417558	JXNQZSOLODXTIW-UHFFFAOYSA-N	417.307	3.577	10	20	HHCD	
COc1cccc(CNC(=O)NCC2(c3ccccc3Br)CC2)c1O	745836412	PLWUOOAWPZWOIB-UHFFFAOYSA-N	405.292	3.694	10	20	HHCD	
Fc1cc(CNCc2coc3ccccc23)ccc1N1CCN(c2ncccn2)CC1	746725844	QDXHIZGBYCBGAP-UHFFFAOYSA-N	417.488	3.978	10	20	HHCD	
CCOC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	749255199	ZJSFAPTYSHTXQE-UHFFFAOYSA-N	416.543	3.674	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2cc(-c3ccccc3)on2)cc1	749716681	NUHPPSPLJSLKIF-UHFFFAOYSA-N	420.513	3.576	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N(C)C1CCCCC1	751931625	PARDIFWCXOHNIZ-CQSZACIVSA-N	401.532	3.653	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC4(CC3)CNC(=O)C4)c2C)c1	752302918	UWIIFLVHMJFVLY-UHFFFAOYSA-N	411.571	3.601	10	20	HHCD	
C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1cccc(S(=O)(=O)N(C)C)c1	756535710	OLHRKZFNZIXSDW-HOTGVXAUSA-N	402.560	3.933	10	20	HHCD	
C[C@@H](NC1CCN(C[C@H]2CCCO2)CC1)c1cc(Br)c(F)cc1O	756570853	BSYAINCVWYEOKQ-TZMCWYRMSA-N	401.320	3.588	10	20	HHCD	
Cc1cc(N2CCC(N[C@@H](C)c3ccc(Br)cc3O)CC2)nc(C)n1	756632953	FYGYSFKRTAKLPU-ZDUSSCGKSA-N	405.340	3.881	10	20	HHCD	
C[C@@H](Nc1ccc(N2CC[C@H](N(C)C)C2)cn1)c1ccc(Br)cc1O	756858167	QZSCDDHUJBSYHG-CJNGLKHVSA-N	405.340	3.863	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cnc(OCc3ccccc3)cn2)C2CC2)cc1	757958138	ZCDDEWQZIVLROI-UHFFFAOYSA-N	402.498	3.926	10	20	HHCD	
CC(C)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1cccc2ncccc12	759589924	BNSKWFRXEPWZDW-CRWWQRIJSA-N	406.438	3.866	10	20	HHCD	
COc1c(F)cc(F)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	761688497	VZDNJIWHXBOHBI-UHFFFAOYSA-N	405.445	3.504	10	20	HHCD	
CO[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1Cl	762208510	HXLNGTUOSQPAHU-QGZVFWFLSA-N	409.269	3.851	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CC[S@](=O)C[C@H](C)C3)c2C)c1	763874487	AIPULABFFQZGJG-RXAIFQJESA-N	404.601	3.699	10	20	HHCD	
Cc1ccnn1-c1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1	767382725	GJBNVOIGPJFTDS-UHFFFAOYSA-N	403.530	3.963	10	20	HHCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1c2ccccc2CC[C@H]1C	767816648	STQGHNDJOMXBEN-AQNXPRMDSA-N	407.558	3.930	10	20	HHCD	
O=C(NCc1ccc(F)cc1)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	768346401	MVDCRYNWBLSIJL-UHFFFAOYSA-N	421.856	3.621	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H](CO)Cc2ccccc2C(F)(F)F)c1O	769421231	WDEVGWBITLKGRR-LLVKDONJSA-N	418.799	3.913	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1	770212567	YPGLWANBHWQTPC-OAQYLSRUSA-N	407.514	3.562	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cccc(OCC(F)(F)F)c1	770256350	SCMWDOSOXQVDRV-UHFFFAOYSA-N	422.447	3.665	10	20	HHCD	
C[C@@H](N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(F)cc(F)c1O	774508945	NPXKDGWCZCNYFF-HWPZZCPQSA-N	411.246	3.889	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2cccc(C(=O)OC(C)(C)C)c2)SC1=S	777874458	BKDSJQVTHLDAQX-NTCAYCPXSA-N	421.540	3.796	10	20	HHCD	
COc1cc(OC)c(NCc2ccc(N3CCOCC3)cc2)cc1Br	778186676	IZFJQOCAAPWDNY-UHFFFAOYSA-N	407.308	3.915	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(Br)sc1Br	778919385	CBJWZUAJACXQGK-UHFFFAOYSA-N	407.083	3.614	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)OC)c2ccccc12	779458132	FYZRAAWIPVISRE-UHFFFAOYSA-N	401.440	3.532	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(Br)ncc3Cl)CC2)cc1	779619197	AAZZMPWXNUKHDU-UHFFFAOYSA-N	424.726	3.905	10	20	HHCD	
CCNC(=O)c1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc2ccccc12	790246068	QUOKQMBALHGPOY-UHFFFAOYSA-N	408.477	3.572	10	20	HHCD	
CCCCCC[C@@](C)(NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)O	797714266	FWWZVEPNUYQCOT-HTAPYJJXSA-N	405.539	3.697	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1	798548897	OPXKZPXCMVMGIE-BEFAXECRSA-N	407.474	3.739	10	20	HHCD	
CC[C@H](C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O)c1ccc(OC)cc1	798988752	HJNBXCKZQLMBJK-SFHVURJKSA-N	405.878	3.750	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@](C)(O)C(F)(F)F)cc2Cl)C1	800719899	PFFCTEAAYKPPLG-YVEFUNNKSA-N	407.864	3.689	10	20	HHCD	
COc1ccc2oc([C@@H](C)NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)c(C)c2c1	804758125	SZNDQTUSYHHLIZ-MRXNPFEDSA-N	423.513	3.618	10	20	HHCD	
CC[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1cc(Cl)cc(Cl)c1O	806156467	DEMDHMVUDDSWGZ-MRXNPFEDSA-N	410.301	3.867	10	20	HHCD	
CN1CCN(c2ccccc2NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	806170388	ROIBSPFCTKSLIC-UHFFFAOYSA-N	409.317	3.773	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnn(C)c1-c1ccccc1	806998619	MSCVGFZFEZOISR-UHFFFAOYSA-N	419.529	3.529	10	20	HHCD	
Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccc(F)cc1	808564679	BEUWKAPHWLIMQE-UHFFFAOYSA-N	407.854	3.553	10	20	HHCD	
C[C@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc(C(F)(F)F)c1O	815558298	YRAVUEBFWBEGBU-ZDUSSCGKSA-N	413.440	3.706	10	20	HHCD	
O=S(=O)(CCN[C@@H](CCc1ccccc1)c1ccccc1O)NCc1ccccc1	815567450	YPZONOKUFRNOGM-QHCPKHFHSA-N	424.566	3.775	10	20	HHCD	
CCOc1cccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1O	915851181	PYZLUMRQHPMRHP-GDNBJRDFSA-N	401.465	3.895	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2cccc(C(=O)NC3CC3)c2)C2CC2)cc1	918074178	DYKVGOIOQBDVHY-UHFFFAOYSA-N	406.530	3.519	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)cs1	918305835	MDTLQYCBWJDTFP-UHFFFAOYSA-N	408.527	3.782	10	20	HHCD	
Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1	918371960	NDHZSVUIZWCYMS-UHFFFAOYSA-N	407.470	3.959	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	919368153	VERAXQIFNSEYMM-JKSUJKDBSA-N	400.441	3.623	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@H]3Cn3cnc4ccccc43)cc2F)CC1	1117644821	VMOBMWVJURXNBI-FQEVSTJZSA-N	407.537	3.592	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c(C)n1-c1ccc(F)cc1	25991461	ISFYAAWZZUUIDP-UHFFFAOYSA-N	409.461	3.953	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCNC(=O)c1ccc(Cl)cc1	105175912	ZOUQKUCEZANIPD-UHFFFAOYSA-N	401.938	3.965	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1C	303784771	HGWKMDLAXRBMRB-UHFFFAOYSA-N	401.532	3.991	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1	726726070	MXLUVRXQUHLHJK-UHFFFAOYSA-N	422.312	3.726	10	20	HHCD	
CC1CCN(c2ccc(C(=O)NCc3ccc(N4CCSCC4)cc3)cn2)CC1	727101544	UNGKWDMVZMATGY-UHFFFAOYSA-N	410.587	3.801	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2cc(Cl)c3c(c2)OCO3)SC1=S	727177228	XWGWADPHIBVQGC-VGOFMYFVSA-N	412.964	3.858	10	20	HHCD	
O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1CCc1cccnc1	727863591	GHRKWGRMTUAJTE-DHDCSXOGSA-N	421.341	3.994	10	20	HHCD	
Cc1ccccc1CC(C)(C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	728220657	NTNJLXZOSWYTIV-UHFFFAOYSA-N	413.537	3.916	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN(Cc4cccnc4)C3)cc2)CC1	731017176	ZKAOJGNFQNIFAF-QHCPKHFHSA-N	406.574	3.846	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N(C)Cc3nc(O)c4ccccc4n3)cc2)CC1	731119643	FTDNTNQEBSSROM-UHFFFAOYSA-N	419.529	3.913	10	20	HHCD	
O=C(NCc1ccccc1O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1	736671193	CFJAHBWXFFXYQN-UHFFFAOYSA-N	407.213	3.723	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)c1	740071184	XYKQXFMNMIYNPI-NFOMZHRRSA-N	407.511	3.597	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)cc1F	742597054	KEKKUIJTHWUGJI-UHFFFAOYSA-N	413.371	3.933	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H]2CN2CCOCC2)c(C)n1-c1cccc(Cl)c1	742764079	NQZFPWVSRQYMEF-FQEVSTJZSA-N	401.938	3.684	10	20	HHCD	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cccc4c3CCCC4)n2)c[nH]1	748092152	WCMPKWABOIAWOS-UHFFFAOYSA-N	417.512	3.604	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NCc3ccccc3O)cc2)c1	748355188	VHIHBXNQGPVWRR-UHFFFAOYSA-N	411.479	3.707	10	20	HHCD	
Cc1cccc2ncc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)n12	749109910	XWUXLYQXXGPASQ-UHFFFAOYSA-N	404.436	3.788	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)c(C)n1-c1ccccc1Br	749186377	OZCSIYCVBOVDON-PBHICJAKSA-N	418.335	3.631	10	20	HHCD	
COCCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CCCC1	749554507	RHFWHRLMYFBXIH-IRXDYDNUSA-N	407.530	3.540	10	20	HHCD	
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1	751240577	RBFMTUMKRIMYNG-UHFFFAOYSA-N	424.238	3.994	10	20	HHCD	
CC(C)OC1CCC(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1	752646924	BYJHKPZIGOHPLG-FWYSVENZSA-N	421.557	3.975	10	20	HHCD	
O=C(c1ccccc1O)N1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1	753539177	YRORIVDZERTELR-UHFFFAOYSA-N	418.493	3.635	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3Br)CC2)cc1F	753742664	VWWXPMUAHVPWLT-UHFFFAOYSA-N	411.246	3.698	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@@H](Cn2nc(C)cc2C)C(=O)O)cc1	756391113	XXSFEZJUUHDKFK-QHCPKHFHSA-N	406.530	3.769	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)c1	756570439	BUSSGSFFWCNAGT-MRXNPFEDSA-N	406.486	3.968	10	20	HHCD	
COc1cc(CN2CC[C@H](N[C@@H]3C[C@H](C)c4c(F)ccc(O)c43)C2)cc(OC)c1	756648551	XZSKBLZJHQZTNF-DKICVRJWSA-N	400.494	3.961	10	20	HHCD	
C[C@H](NC[C@@H](CO)Cc1cccc(Br)c1)c1cc(F)cc(F)c1O	760039901	HETJKWQKNSBCQE-AAEUAGOBSA-N	400.263	3.935	10	20	HHCD	
CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	760054102	SYTICYSCMUNRPS-RTBURBONSA-N	421.335	3.780	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2ccccn2)c2ccccc2OC)c1	760863760	UNUNXGPEBABQNK-OYHNWAKOSA-N	407.470	3.954	10	20	HHCD	
C[C@H](COCc1ccccc1)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761151722	OKJJAAOFMOTCBT-HNNXBMFYSA-N	402.878	3.663	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@@H](CO)COC(C)C)c(C)n1-c1cccc(Br)c1	762541877	OKXRVWKSMRXQMM-SFHVURJKSA-N	423.351	3.715	10	20	HHCD	
O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)N(Cc1ccccc1O)C1CCCCC1	764373171	FAKGBKDWHWUIDN-YADHBBJMSA-N	415.578	3.880	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H](CN1CCCC1)c1ccccc1	764760485	GRVUVHNUVFNMEQ-GOSISDBHSA-N	418.335	3.791	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)/C=C\c1cccc(Cl)c1	768796797	JIOVSGGTNVICDL-ZROIWOOFSA-N	406.935	3.609	10	20	HHCD	
CCN(CC)c1ccc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1F	769032802	GOJXHHDRYYESOL-UHFFFAOYSA-N	420.617	3.588	10	20	HHCD	
CC[C@]1(C)COCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	770880419	FTBKPGIGVVAMFO-LJQBUTKESA-N	424.613	3.757	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(=O)CC)c2)cc1	772864494	JCZJSQUSXRFWOR-UHFFFAOYSA-N	424.544	3.622	10	20	HHCD	
Cc1nnc(SCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1Cc1ccccc1	773011059	QIHPHINOSNCCNX-MRXNPFEDSA-N	409.559	3.670	10	20	HHCD	
CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773026437	RDUVTWMBVHHAHM-UTKZUKDTSA-N	413.587	3.790	10	20	HHCD	
CCc1ccccc1NC(=O)CN1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775646684	NBUFLHMLOVYVOH-UHFFFAOYSA-N	405.901	3.503	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)ccc21	778479311	MVIRXLLWAPBVAS-OAHLLOKOSA-N	417.550	3.938	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CN[C@H](C)c2cc(Br)cc(C)c2O)c1	779024559	NGPUXMQXLJPTSZ-KZULUSFZSA-N	410.308	3.865	10	20	HHCD	
Cc1cc(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)c(C)n1-c1ccccn1	779155642	GZNQLIJYMHZADU-UHFFFAOYSA-N	411.893	3.616	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccccc1N1CCCCC1	779335380	QMHPKQXIIAOGLS-UHFFFAOYSA-N	408.546	3.513	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@H](COc4ccccc4)C3)CC2)cc1	780831527	MIBIHLAMLAXMRF-IBGZPJMESA-N	409.530	3.775	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1	782647751	FQWOKIRKLURUNP-ZNMIVQPWSA-N	407.511	3.597	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2	782790614	SDYAPZBLTUMEGL-UHFFFAOYSA-N	401.532	3.525	10	20	HHCD	
COC(=O)CCc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1	784058918	BSJQCVWPJCFWFT-UHFFFAOYSA-N	423.513	3.679	10	20	HHCD	
O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCCCSc1nccs1	796413105	DBCRTQRTVMVIRS-UHFFFAOYSA-N	418.993	3.649	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2C)c(O)c1	797390142	OXDQXFZXIGJYSX-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
COCCCOCCN(C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800720358	SAOCKOBAHNLQIK-QGZVFWFLSA-N	411.974	3.771	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)cc1	804986728	RVWBFUWZANBAMM-UHFFFAOYSA-N	416.877	3.574	10	20	HHCD	
Cc1ccc(C[C@H](C)NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)s1	807278844	MLRBDAZIXJFMHP-HNNXBMFYSA-N	412.511	3.631	10	20	HHCD	
Cc1cc(NC(=O)CNc2cc(Cl)ccc2C(=O)c2ccc(F)cc2)n(C)n1	809195549	UEHMJDBMJHCWKS-UHFFFAOYSA-N	400.841	3.803	10	20	HHCD	
CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)cc1	811702548	CZWXLUZEZPMLQY-UHFFFAOYSA-N	407.488	3.685	10	20	HHCD	
O=C1N=C(SCCN2C(=O)CCC2=O)S/C1=C\c1csc2ccccc12	814772643	XVSKCRYPFVFLEA-ZROIWOOFSA-N	402.522	3.754	10	20	HHCD	
CCCNC(=O)CN1CCC(N[C@H](CCc2ccccc2)c2ccccc2O)CC1	815558702	LLWJXOLYHCGJFR-HSZRJFAPSA-N	409.574	3.646	10	20	HHCD	
COc1cccc(N2C(=O)/C(=C\c3ccc(-n4cncn4)c(F)c3)SC2=S)c1	824021692	LEKQMBDBJXOMGZ-CAOOACKPSA-N	412.471	3.821	10	20	HHCD	
CCN(CC)CCNC(=O)c1ccc(NCc2c(O)cccc2Br)cc1	864038583	WCBBHLIGQUJZJT-UHFFFAOYSA-N	420.351	3.838	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(N3CCNC3=O)cc2)cc1	914456274	VLIOPZICWDMJID-UHFFFAOYSA-N	418.497	3.718	10	20	HHCD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	916732259	AZLMMCZKIRCXEN-KRWDZBQOSA-N	402.922	3.911	10	20	HHCD	
CCC[C@H](C)NS(=O)(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1	919963782	DWPYQCSCUCETCW-KRWDZBQOSA-N	402.564	3.761	10	20	HHCD	
CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)c2ccc(OC)cc2)CC1	28241525	YYQJZLVZRUPQHX-UHFFFAOYSA-N	410.514	3.504	10	20	HHCD	
C[C@H](NC(=O)NCCCCN1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1	139989214	ZXNPQQBRUUALQU-UXHICEINSA-N	402.583	3.538	10	20	HHCD	
CCc1ccccc1N1C[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1=O	303542927	YVHFUIOKYWMPHE-NHCUHLMSSA-N	422.525	3.515	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CSCc3cn4cc(C)ccc4n3)CC2)cc1	726631095	YGBNJLXRXIWYKX-UHFFFAOYSA-N	424.570	3.670	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](NC(=O)CC(C)C)c3ccccc3)CC2)cc1	727382481	LEMKNISFVGOAKY-XMMPIXPASA-N	423.557	3.684	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N(C)C)cc2)cnn1-c1cccc(Br)c1	729945069	FOUZVZSKBKVNDX-UHFFFAOYSA-N	413.319	3.939	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](c4ccccc4C)C3)cc2F)CC1	730134540	DTCOSAHHLLHCQV-NRFANRHFSA-N	424.564	3.975	10	20	HHCD	
C[C@H](C(=O)NC1CCCC1)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	731035931	BBGXBDDEXWHSSS-MRXNPFEDSA-N	401.551	3.911	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3cnn(-c4ccccc4)c3)cc2)CC1	731038905	OXPGWHHSYCRCQJ-UHFFFAOYSA-N	410.543	3.587	10	20	HHCD	
Cc1ccc(-c2nnco2)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	731899061	GKQACCXVYQDRKY-UHFFFAOYSA-N	421.501	3.575	10	20	HHCD	
COCCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1	732473060	QNPRREPXHXVLIJ-GOSISDBHSA-N	411.608	3.623	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCCc1cccs1)c2[N+](=O)[O-]	733386315	RLTHLPIMBOWOCD-UHFFFAOYSA-N	407.403	3.831	10	20	HHCD	
COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)NCc1ccc(N(C)C)cc1C)CC3	734687811	UZNOAMQUXLLJBV-UHFFFAOYSA-N	420.513	3.597	10	20	HHCD	
Cc1nc2ccccc2n1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800918	MUYMLURQAWKFES-INIZCTEOSA-N	414.456	3.731	10	20	HHCD	
COc1cc(OCC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1[N+](=O)[O-]	743430220	GMAJSGPWPPRWGA-UHFFFAOYSA-N	412.398	3.510	10	20	HHCD	
C[C@H]1CN(CCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)C[C@H](C)O1	745425506	UAFRLZGGJITPCY-OALUTQOASA-N	403.567	3.736	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(C(N)=O)s2)c(C)n1-c1ccc2c(c1)CCC2	748970017	XJJUYHIXXJPVNF-UHFFFAOYSA-N	422.506	3.783	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccnc(OCC(F)(F)F)c1	751307699	LOWXIULSEIYNSO-UHFFFAOYSA-N	413.359	3.985	10	20	HHCD	
CCOCCC1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	752213589	TZDJBUXKONKCNH-INIZCTEOSA-N	411.493	3.763	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1	753645564	VZJPOWHWJJHUTD-UWJYYQICSA-N	418.493	3.706	10	20	HHCD	
COc1ccc(CCCC(=O)NCc2ccc(N3CCSCC3)cc2)c(OC)c1	753943701	VNWQDSZGQHLHIJ-UHFFFAOYSA-N	414.571	3.896	10	20	HHCD	
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	754468543	SWJCNFBJBHMJJO-CQSZACIVSA-N	424.457	3.564	10	20	HHCD	
O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1CCc2ccncc21	755993289	RROCWOBRAZHLBN-WJDWOHSUSA-N	415.565	3.714	10	20	HHCD	
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756832511	GMSVSNWGFCRDJP-VGSWGCGISA-N	419.481	3.879	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2coc(C(N)=O)c2)c(C)n1-c1ccc(F)c(Cl)c1	759776730	BWXJDJSCPMDFLD-UHFFFAOYSA-N	418.808	3.618	10	20	HHCD	
O=C(CN1CCN(c2ncc(F)cn2)CC1)Nc1ccc(N=Nc2ccccc2)cc1	759923959	XTYKALGDJHOSBD-UHFFFAOYSA-N	419.464	3.792	10	20	HHCD	
CCCOc1ccc(CNC(=O)NCc2cccc(OC)c2O)c(OC(F)F)c1	761781978	ZQFHNMWARLZOKB-UHFFFAOYSA-N	410.417	3.790	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)c1nc(-c2cccnc2)nc2c1CCC2	762175668	GCSRYWVCPBIFDN-IBGZPJMESA-N	402.498	3.919	10	20	HHCD	
Cn1c(C(=O)NCCc2ccc(O)c(O)c2)ccc1-c1ccc(Br)cc1	762267735	PQHFXTIYKNQGKP-UHFFFAOYSA-N	415.287	3.838	10	20	HHCD	
CCC1(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCCC1	763013723	JIHKQIAQSLNCDU-IBGZPJMESA-N	400.567	3.548	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1	765659982	PWGLICCTFKGILR-QZTJIDSGSA-N	401.576	3.997	10	20	HHCD	
COC(=O)CN(Cc1ccc(OC[C@H]2CCCO2)cc1)Cc1cc(Cl)ccc1O	768726852	DZQBRAGOCHETNK-HXUWFJFHSA-N	419.905	3.779	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	770521753	ORFHGRQDIZNIPA-UHFFFAOYSA-N	418.519	3.959	10	20	HHCD	
C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc(N2CCOCC2)cc1	770668643	YLHKKPAYUNFUNI-MRXNPFEDSA-N	411.937	3.823	10	20	HHCD	
CCOc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1O[C@@H](C)C(=O)N(C)C	771935120	IXFOUTCHCMWTKT-SFHVURJKSA-N	413.562	3.639	10	20	HHCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1O	772831123	XSXXFHCCAQPXSU-PGRDOPGGSA-N	406.526	3.778	10	20	HHCD	
COc1cc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C	772938849	PXEHTOUTXCCTNI-UHFFFAOYSA-N	409.530	3.899	10	20	HHCD	
CC(C)(COc1ncccc1C(F)(F)F)NCc1ccc(N2CCOCC2)cc1	772952929	HLLHEBPJAZZBRC-UHFFFAOYSA-N	409.452	3.884	10	20	HHCD	
C[C@H](NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1	773013085	ZZONVQQENDXXER-KRWDZBQOSA-N	418.559	3.583	10	20	HHCD	
C[C@H](NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)c1ccc(N(C)C)cc1	775407048	QYVYBQKSPCRPBN-SFHVURJKSA-N	408.546	3.742	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	778976456	XSKONQZYNAKPQO-AEFFLSMTSA-N	412.534	3.864	10	20	HHCD	
COCCN1C(=O)CCc2cc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)ccc21	779333602	IBNFPRUUKOCRTB-UHFFFAOYSA-N	418.497	3.667	10	20	HHCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cc2c(cc1Br)OCCO2	779498470	HATDJLJBROQNSN-USEMIUTHSA-N	420.259	3.522	10	20	HHCD	
CC(=O)Nc1ccc(C)c(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1	780462852	SACKYNNOTLKDPE-UHFFFAOYSA-N	406.530	3.738	10	20	HHCD	
O=C(COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccc(O)c(O)c1	782712742	UFHFEWMCUPJFLT-UHFFFAOYSA-N	406.438	3.727	10	20	HHCD	
COc1cc(F)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1OC	784109511	UXSIKIDGLSHMGV-UHFFFAOYSA-N	415.465	3.587	10	20	HHCD	
Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784112207	NSUIMDPINWRWHG-UHFFFAOYSA-N	408.546	3.801	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(Cc2ccccc2F)CC1	785598253	NZLVTJYEZYZTAI-UHFFFAOYSA-N	400.469	3.565	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc(F)c(Cl)c3)cc2)CC1	786957568	GUUHLZIJUWUWBF-UHFFFAOYSA-N	417.912	3.648	10	20	HHCD	
COc1cc(N2CCC(COc3ccc(Cl)nc3)CC2)c([N+](=O)[O-])cc1OC	788560824	RTTLWIFEMBGQNQ-UHFFFAOYSA-N	407.854	3.956	10	20	HHCD	
Cc1cccc(CN(CC(C)C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	788931279	ZVYVGWDIPSRJCD-UHFFFAOYSA-N	407.558	3.896	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)c1	789463958	MSQRHXKCSGDLGC-LMOYCYGVSA-N	415.515	3.577	10	20	HHCD	
C[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCO2	794357122	NAKZHKICZYIXOR-HOCLYGCPSA-N	418.440	3.905	10	20	HHCD	
CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cn1	797787210	GWNDYZRJSKZHPG-FOWTUZBSSA-N	413.524	3.916	10	20	HHCD	
CC(C)C(=O)NCCCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799962045	MJGDKOLFCCKPLL-MRXNPFEDSA-N	408.974	3.538	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3nncn3C)cc2Cl)C1	800719120	HBXDHXBNAUICNZ-BEFAXECRSA-N	416.957	3.752	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(SC(F)F)nc1	802610682	LIXFQNQXLURFJY-UHFFFAOYSA-N	409.458	3.869	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)c1ccc(N(C)C)cc1	803167873	OHZXLNBEAIPXAJ-CYBMUJFWSA-N	408.329	3.596	10	20	HHCD	
O=C(N[C@@H](CC1CC1)c1ccccc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	806292662	GGRJPVVWTRWZDG-VXKWHMMOSA-N	422.525	3.557	10	20	HHCD	
Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cc(O)cs2)C1=O	807737314	JKSPVBWRQBGKDX-CQSZACIVSA-N	423.332	3.758	10	20	HHCD	
COc1ccc(CNC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c(O)c1	816551191	RXSZXACTVVLOHA-UHFFFAOYSA-N	415.877	3.728	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3cccc(N4CCOCC4)c3)c2C)cc1	817467985	ZZNUEZVPTHNKFS-UHFFFAOYSA-N	419.525	3.869	10	20	HHCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1	914793379	KOORYTILXYAJMA-UHFFFAOYSA-N	414.459	3.563	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)cc2)CC1	914846914	AQRGLMGAXXNCEV-UHFFFAOYSA-N	403.530	3.883	10	20	HHCD	
O=C(CN1CCC(N2CCNC2=O)CC1)Nc1ccc(N=Nc2ccccc2)cc1	917162108	WVKHXKQGDDMHFC-UHFFFAOYSA-N	406.490	3.530	10	20	HHCD	
CN(Cc1ccoc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	918664507	FRBQXQKUVBPPKT-GDNBJRDFSA-N	406.554	3.981	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3c(c2)nc(O)n3C)cc1	920288323	NRCAGNPZRCFOGK-UHFFFAOYSA-N	404.470	3.781	10	20	HHCD	
COc1cc(C(=O)Nc2c(Cl)ccc3nonc23)cc(Br)c1OC	1323484462	WIMQJBORWOWXAH-UHFFFAOYSA-N	412.627	3.908	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cn2cccn2)c(C)n1-c1ccc(OC(F)(F)F)cc1	11118355	XKUFGLUYRADXSF-UHFFFAOYSA-N	421.375	3.615	10	20	HHCD	
COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc(O)c1O	24034360	LUBVOLRNKCFUCB-JOCHJYFZSA-N	420.421	3.602	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCC3(c4ccccc4)CC3)cc2F)C[C@@H](C)O1	108444419	AIPDELWLCGRMCI-QZTJIDSGSA-N	411.521	3.970	10	20	HHCD	
COc1ccc(Cl)cc1NCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	109340113	WCKOGJWBUUTEQY-UHFFFAOYSA-N	417.937	3.646	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCC3(c4ccccc4)CCOCC3)CC2)cc1	110461634	GJTCDNYEYHDMTR-UHFFFAOYSA-N	423.557	3.712	10	20	HHCD	
C[C@@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1	237434464	ACFAJMSRMRUYLM-RTBURBONSA-N	403.567	3.821	10	20	HHCD	
OC[C@H]1CCCCN1c1cc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)ncn1	302778682	HHCAKMGLWMXUIR-GOSISDBHSA-N	407.493	3.742	10	20	HHCD	
Cc1cc(C(=O)NCCCN2C(=O)COc3ccccc32)c(C)n1-c1ccc(F)cc1	303954011	UKVKHYFACJGRHV-UHFFFAOYSA-N	421.472	3.779	10	20	HHCD	
Cc1c(CNC(=O)NCc2ccncc2OCC(F)(F)F)n(C)c2ccccc12	544630147	JWMZKVQYNMCZMW-UHFFFAOYSA-N	406.408	3.822	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1	727057197	ZYNMKBNTHQGVLP-OAHLLOKOSA-N	418.335	3.846	10	20	HHCD	
Cc1cc(NC(=O)CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)on1	727142534	RDOSXOHUFPKJCE-VMPITWQZSA-N	405.454	3.913	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCCCc3nc(C)cs3)CC2)cc1	727175072	GRIBOSXFHLYFGA-UHFFFAOYSA-N	402.564	3.705	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(I)cc2)c1	729036913	IRBDFKUKGXRRBD-SNVBAGLBSA-N	412.227	3.888	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1	729305971	UDIKHAJKEJLMTA-IBGZPJMESA-N	417.962	3.580	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H]3C(C)(C)C)cc2F)C[C@@H](C)O1	729474591	JVQXSCBPWNZXNQ-CBGDNZLLSA-N	405.558	3.566	10	20	HHCD	
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731403960	CBHDPFONMMLGGT-MJGOQNOKSA-N	420.573	3.898	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(c3nnc(S)n3C)CC2)c1	731635000	QYNQSYQYBBZLND-UHFFFAOYSA-N	409.559	3.840	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	734490331	FRPGOYNOCBHJSX-UHFFFAOYSA-N	404.580	3.892	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cc(Cl)ccc3F)cc2F)C[C@H](C)O1	735416783	HZBKEJCMGJTFFR-KBPBESRZSA-N	424.875	3.927	10	20	HHCD	
CN(c1ccc(CNC(=O)C[C@H](NC(N)=O)c2cccs2)cc1)C1CCCCC1	742416517	ADKKSMFYRHXJCX-IBGZPJMESA-N	414.575	3.933	10	20	HHCD	
COc1ccc(OCCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	742802050	WEWHWCNFECVUJS-MRXNPFEDSA-N	420.456	3.851	10	20	HHCD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	743313592	LXXCUQMVWBXEAU-NBCNXNJRSA-N	406.542	3.777	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)c3ccc(-n4cccn4)cc3)CC2)cc1	743711498	OPECTLDQBNDPPV-LJQANCHMSA-N	419.529	3.864	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743814279	AHYCJHJHYQZBQH-QGZVFWFLSA-N	418.488	3.822	10	20	HHCD	
COC1CCN(C(C)(C)CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	745807758	DURZMIVUCJHZIP-UHFFFAOYSA-N	404.599	3.562	10	20	HHCD	
CN(CC[C@@H]1CCCCN1C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745905294	YUELHHYCJKVDST-ROUUACIJSA-N	424.536	3.773	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCN3CCN(c4ccccc4)CC3)cc2)CC1	746237466	LLRRVZYDTYIOIS-UHFFFAOYSA-N	420.601	3.751	10	20	HHCD	
C[C@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)c1cccc(F)c1	746279854	JBLHUQHVGCJMRF-QGZVFWFLSA-N	412.505	3.560	10	20	HHCD	
CCO[C@H](CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1	747510829	KJHDLJUATDOEQS-JOCHJYFZSA-N	421.557	3.571	10	20	HHCD	
Cc1ccc(CNC(=O)C2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)cc1	747583834	LEPVFSDNQKTUED-UHFFFAOYSA-N	422.573	3.607	10	20	HHCD	
CCC(CC)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)C(N)=O	749383369	LDVZOYKINCCTHA-UHFFFAOYSA-N	406.324	3.631	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)c(C)n1-c1ccc(C(C)C)cc1	752455672	FTDSRZJHOFGTOI-QFIPXVFZSA-N	411.546	3.618	10	20	HHCD	
CO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H]2CCOC2)C1	752845796	SRADIGSXHZWURL-FPOVZHCZSA-N	421.545	3.614	10	20	HHCD	
CCN(CC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C)[C@H](C)CS(C)(=O)=O	754651290	JVWLJDGAKVWPNG-MRXNPFEDSA-N	422.616	3.754	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2O)cc1	755074670	PKAFSWAVWQUDSN-UHFFFAOYSA-N	422.485	3.717	10	20	HHCD	
C[C@H](NCc1cc(F)ccc1N1CCOCC1)c1cc(Br)ccc1O	756602892	GJLOUJJQTBFZHY-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	759676022	OPFLRPLVCUVDAS-AVRDEDQJSA-N	412.530	3.970	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3coc(C(N)=O)c3)c2C)c1	759767160	HUKUISYHMSYZPH-UHFFFAOYSA-N	412.467	3.548	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)c1	760836993	NRAGDBFHGYJLBL-UHFFFAOYSA-N	416.433	3.965	10	20	HHCD	
CCCn1nc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C	761982921	ODZLTUFPAABMTM-GOSISDBHSA-N	404.942	3.663	10	20	HHCD	
COc1cccc(O)c1CNCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	761989187	MINZMKBEGYZAMJ-UHFFFAOYSA-N	416.474	3.631	10	20	HHCD	
Cc1nccn1CCCOC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	763110492	XWEVTAKMFMQGEI-UHFFFAOYSA-N	408.841	3.867	10	20	HHCD	
CCC(CC)(CNC(=O)NCc1cccc(OC)c1O)c1ccc(OC)c(OC)c1	764764578	NETOUPDCIMCKFH-UHFFFAOYSA-N	416.518	3.975	10	20	HHCD	
CC[C@@H](NCc1ccccc1CS(=O)(=O)NC(C)C)c1ccc(N(C)C)cc1	765779274	SNNQYVGPVMLAGR-JOCHJYFZSA-N	403.592	3.821	10	20	HHCD	
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc2ccccc2c1O	765823076	ROBNHQOUXZSJRZ-JPYJTQIMSA-N	404.510	3.666	10	20	HHCD	
CC(C)Cc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	765977319	FADGAWJWBXTTGZ-IBGZPJMESA-N	400.588	3.971	10	20	HHCD	
CC(C)CN1N=C(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CCC1=O	766356568	CZOOSUWFIQAURZ-UHFFFAOYSA-N	410.518	3.509	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)c2)CC1	767384030	WIGNUXLEBWWUQJ-UHFFFAOYSA-N	410.543	3.514	10	20	HHCD	
Cc1cc(COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)nn1C	767999198	FLQJIKIAFBLCNR-XNTDXEJSSA-N	421.569	3.515	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C1(c2ccc(Br)cc2)CCOCC1	769281488	GOPDTRRUOUMQKP-UHFFFAOYSA-N	404.304	3.862	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@@H]1c1ccccc1	769693028	YTDXIAPFPSTBFL-QGZVFWFLSA-N	414.508	3.842	10	20	HHCD	
CCN(CC)c1ccc(CNc2ccc3nc(CCN4CCOCC4)[nH]c3c2)cc1	770549112	FBSROVOBCURNCU-UHFFFAOYSA-N	407.562	3.896	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccccc1I	771242717	KGFICFMEGDUMPK-UHFFFAOYSA-N	408.283	3.558	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	771437737	YIORBUQXLXOHIN-CNDZOEFASA-N	416.493	3.998	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1	772742915	MFAZKARADJECQL-QFIPXVFZSA-N	406.530	3.722	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)c(C)n1-c1ccc(F)cc1	773420701	LBPSYDHWTJRBPX-UHFFFAOYSA-N	412.486	3.663	10	20	HHCD	
COc1ccc(-c2nc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cs2)cc1OC	773751037	ZZNXMFOZVNROSN-LBPRGKRZSA-N	414.483	3.600	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(N(C)C)cc1	773859606	WQNGVLFXJNABKY-OAHLLOKOSA-N	409.486	3.610	10	20	HHCD	
O=C(NCCc1c[nH]c2ccccc12)C(=O)N(Cc1ccccc1O)C1CCCCC1	774617232	NVBXTQYUTSIDNT-UHFFFAOYSA-N	419.525	3.894	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c(C)n1-c1cccc(C(C)C)c1	775574901	ACMVMIFWFQFZOU-IFMALSPDSA-N	411.546	3.583	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1	779481807	AYUDYMMFWJAQMY-UHFFFAOYSA-N	406.364	3.857	10	20	HHCD	
CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1	779511480	JHMDLBHGDMQIRL-CSKARUKUSA-N	414.458	3.653	10	20	HHCD	
CC(=O)Nc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	782895495	FSELPVKHXSAODV-UHFFFAOYSA-N	409.486	3.651	10	20	HHCD	
CC[C@@]1(C)CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1	785680222	AHIWSPSRPMYJME-RYBIEJRYSA-N	424.613	3.757	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F	787126297	QVKUIYJVNZDUBH-UHFFFAOYSA-N	414.359	3.818	10	20	HHCD	
CCOc1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	787192731	MTMGOZAWXQUULB-UHFFFAOYSA-N	410.514	3.769	10	20	HHCD	
C[C@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1cccc(C(F)(F)F)c1O	788644356	MWWGQCGZBIWMLP-AWEZNQCLSA-N	409.452	3.553	10	20	HHCD	
CO[C@]1(C)CCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	792967556	OGTFMNSCMIRBRT-OAQYLSRUSA-N	411.493	3.857	10	20	HHCD	
Cc1cc(C(=O)N(CCO)Cc2cccnc2Cl)c(C)n1-c1ccc(F)cc1	794315405	OSVTVKHHYDXCTL-UHFFFAOYSA-N	401.869	3.916	10	20	HHCD	
COc1ccc(CNC(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)c(O)c1	794382692	FOUTZTOFKZWRCH-UHFFFAOYSA-N	407.514	3.820	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC(CCC(N)=O)CC3)cc2Cl)C1	799994491	MXVJLBLDGHJBDQ-INIZCTEOSA-N	420.985	3.763	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ncnn3C(C)(C)C)cc2Cl)C1	799994978	SVQDCIVXMVGSGF-OAHLLOKOSA-N	418.973	3.922	10	20	HHCD	
O=C1/C(=C\c2c(F)ccc(Br)c2F)NC(=S)N1Cc1ccccc1	800720684	FUFHDTQZKLFYLR-RIYZIHGNSA-N	409.255	3.985	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c(F)c1	807511623	REWXJLKFWJFXOC-UHFFFAOYSA-N	415.248	3.880	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1F	807672418	ZACBNNULRFXGJF-VBKZILBWSA-N	403.473	3.866	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@H](NCc3ncc(C4OCCO4)s3)C2)cc1	809624334	KIUXSMJNXFKAAV-ZDUSSCGKSA-N	411.474	3.549	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc(N(C)C)cc1	812902843	MWXMXINYWYQYBA-IRXDYDNUSA-N	409.534	3.794	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3c(Cl)cncc3Cl)cc2F)CC1	815493676	MTWYGVMKDKTFAY-UHFFFAOYSA-N	411.308	3.599	10	20	HHCD	
CCOC(=O)c1n[nH]c(-c2cccc(CNCc3ccc4ccccc4c3O)c2)n1	816611606	TVHFDDAUOGWPLW-UHFFFAOYSA-N	402.454	3.797	10	20	HHCD	
CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O	857514257	LWVGPRGOAXJLDX-HXUWFJFHSA-N	424.950	3.804	10	20	HHCD	
COC[C@H](C)NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1	863991792	LVZSPYOCYBZRHX-NSHDSACASA-N	419.330	3.624	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)cc1	916689280	XRYLPPNZEKCSCB-UHFFFAOYSA-N	423.517	3.595	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	917927906	MBTIUSDSRFBWOA-UHFFFAOYSA-N	411.911	3.914	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)c1cccc(OC)c1	918224731	VOXLVLFLRMXUHZ-KRWDZBQOSA-N	415.509	3.964	10	20	HHCD	
CN(Cc1cscn1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	920280323	MCVVGFAVYOVLTK-RIYZIHGNSA-N	423.610	3.845	10	20	HHCD	
O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OC(F)F)SC(=S)N1c1cccnc1	920834171	XZFAZOJATYCFFW-NTUHNPAUSA-N	409.395	3.997	10	20	HHCD	
COc1cc(OCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-]	921024139	XTDZXJUZTPTCLD-UHFFFAOYSA-N	413.474	3.631	10	20	HHCD	
CN1CCN(c2ccc(CNCCc3ccc(Br)cc3F)cc2F)CC1	1327212190	CXWHTNNGPQTYHM-UHFFFAOYSA-N	424.333	3.811	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCc2nnn(CC(F)(F)F)n2)c1	1344574450	KYOFKXHOUPZJRJ-UHFFFAOYSA-N	413.787	3.653	10	20	HHCD	
Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	7853949	IHOZCHJKBYZALV-NRFANRHFSA-N	413.477	3.576	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1	105052795	JJYPUUOAWGPAHG-LJQANCHMSA-N	409.505	3.828	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)n1-c1cccc(Br)c1	109343335	DCCUYXXOSSMVMH-CYBMUJFWSA-N	420.351	3.890	10	20	HHCD	
COc1ccc(N(CC(=O)NC2CCC3(CC2)OCCO3)Cc2cccs2)cc1	110630752	IPEFALKLSXMGJU-UHFFFAOYSA-N	416.543	3.565	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1OCC(C)C	211652281	IQKBIELDXHIWQN-MHWRWJLKSA-N	409.529	3.796	10	20	HHCD	
C[C@H](Nc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(N2CCOCC2)cc1	301128048	RPQCDCXFBVOJAD-KRWDZBQOSA-N	400.486	3.801	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C(=O)OC)cc3OC)ccc21	444381219	LHOORMCQTBERDB-UHFFFAOYSA-N	410.470	3.952	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC(=O)N3CCCc4ccccc43)ccc21	483369950	DSXFNHYWQXKBGW-UHFFFAOYSA-N	419.525	3.614	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@](O)(C(F)(F)F)CC3)ccc21	553471278	GMWYNFAXRYLPMF-HXUWFJFHSA-N	412.452	3.824	10	20	HHCD	
Cc1cc(C(=O)Oc2ccc(O[C@H]3CCCCNC3=O)cc2)c(C)n1-c1ccccn1	727637177	BOIRXKOYJKZAAY-NRFANRHFSA-N	419.481	3.756	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-n3cccn3)nc2)cc1	728839191	GTLBURXGBVHJMU-UHFFFAOYSA-N	403.408	3.538	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2nccn2CC(F)(F)F)cc1F	731404177	IKPGGLXOQDXFMV-UHFFFAOYSA-N	415.435	3.772	10	20	HHCD	
CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	731977656	PBYZDAURVSRMEV-NQIIRXRSSA-N	411.571	3.575	10	20	HHCD	
Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	734361289	SGSUSKSTUBWUCF-UHFFFAOYSA-N	403.486	3.628	10	20	HHCD	
C[C@@H]1SCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]1C	735682801	YHKOKNGDJCYFTC-KBPBESRZSA-N	417.497	3.577	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1NC(=O)OC(C)(C)C	740906393	DOMYDPMAPPYGIB-FXAWDEMLSA-N	416.566	3.732	10	20	HHCD	
Cc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1-n1cncn1	742431498	KWXLMZRBDFVKHR-IUXPMGMMSA-N	422.491	3.680	10	20	HHCD	
CC(C)c1ocnc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742754583	QTEPNBAUXRNRJZ-KRWDZBQOSA-N	416.522	3.860	10	20	HHCD	
O=C(Cc1ccc2c(c1)CCO2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742806669	ULGAXAIOLBBFBM-KRWDZBQOSA-N	402.441	3.551	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(-c2ccc(C)cc2)nn1	743809174	OLGBUSBKFGJNAA-UHFFFAOYSA-N	415.291	3.706	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1C(F)(F)F	743884472	RKKBMNZMVCJMOP-UHFFFAOYSA-N	405.420	3.869	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1O	745814272	JNPXRWWXDIEGEP-KRWDZBQOSA-N	421.538	3.674	10	20	HHCD	
Cc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1Cl	746035552	SPCIBLAGXWSWRS-MRXNPFEDSA-N	400.910	3.672	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1	746495657	CBJUEUJBWMJRIE-LJQANCHMSA-N	420.469	3.515	10	20	HHCD	
C[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1	748008974	ACBIMTYAVULTBE-ZDUSSCGKSA-N	402.497	3.746	10	20	HHCD	
C[C@H](NC(=O)NCCOc1ccccc1Cl)c1ccc(N2CCOCC2)cc1	752152896	CFIQNIPHCFBTAF-INIZCTEOSA-N	403.910	3.616	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(Cc2ccccc2)no1	752900817	CAYSZKAEPMGWBC-MRXNPFEDSA-N	405.502	3.603	10	20	HHCD	
COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	754468541	SWJCNFBJBHMJJO-AWEZNQCLSA-N	424.457	3.564	10	20	HHCD	
CCCC[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCC1	757182683	QOKGJHYCROACJI-PZJWPPBQSA-N	400.567	3.546	10	20	HHCD	
CCc1ccc([C@H](NC(=O)COC(=O)c2cccc(O)c2O)c2cccs2)cc1	758578103	ANCKPFNQRCXHSS-FQEVSTJZSA-N	411.479	3.784	10	20	HHCD	
CCOC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C1CCOCC1	759948795	MXBDWQGWRVAETC-HXUWFJFHSA-N	418.921	3.836	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cnc([C@H]4CCCO4)s3)cc2F)C[C@@H](C)O1	760375922	CUSBYOOYQONWAS-HBUWYVDXSA-N	419.522	3.677	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1F	764839481	HCJXMEQKGQWMTQ-HNNXBMFYSA-N	421.419	3.784	10	20	HHCD	
CCC(=O)Nc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1	765450914	PEDGDZUVWVRJJL-UHFFFAOYSA-N	406.280	3.503	10	20	HHCD	
O=C(NCc1ccc(O)c(Br)c1)NCc1c(O)ccc2c1CCCC2	767231697	JUKIULOLARTZHX-UHFFFAOYSA-N	405.292	3.739	10	20	HHCD	
O=C(NC1CCN(Cc2cccc(Br)c2O)CC1)c1ccc(F)cc1	768249484	HFKBQBDNOLDHHH-UHFFFAOYSA-N	407.283	3.688	10	20	HHCD	
CCOCCN1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	772694960	YNEINMVUQQFGOC-UHFFFAOYSA-N	409.534	3.962	10	20	HHCD	
O=S1(=O)CCCN1c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1F	775357993	FSLKRQWELPWKLV-UHFFFAOYSA-N	417.550	3.646	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)c1	775373047	LLASOEXMCLMUOH-HUUCEWRRSA-N	406.910	3.631	10	20	HHCD	
COc1ccc(-c2nnc(NC(=O)NCc3ccc(N4CC=CC4)cc3)s2)cc1	775833356	CAPSHGSWMOJHHN-UHFFFAOYSA-N	407.499	3.912	10	20	HHCD	
O=C1N[C@H](c2ccccc2)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	777666921	KCCPXQIGFKBYHU-FUHWJXTLSA-N	401.413	3.550	10	20	HHCD	
COCC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(C)o1	778630854	QRJKOTWFJVPNCE-XLIONFOSSA-N	401.507	3.563	10	20	HHCD	
C[C@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1	779071486	FSEZVHBRFZXSTJ-KRWDZBQOSA-N	419.541	3.880	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CCO)c2ccccc2Br)c1O	781638050	DHFSOFKKHCLKDL-AWEZNQCLSA-N	415.671	3.930	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)nn1[C@H](C)C1CC1	784107738	UYTBYHGRCRBFEO-MRXNPFEDSA-N	409.534	3.907	10	20	HHCD	
CCN(CC)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cn1	784108281	WOSLLKXWCRASJE-UHFFFAOYSA-N	409.534	3.672	10	20	HHCD	
Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	784693396	XXHONWOLGHQCRV-UHFFFAOYSA-N	420.538	3.756	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nn1[C@@H](C)C1CC1	784703009	NHMHCRSEBYTJBJ-SFHVURJKSA-N	423.561	3.654	10	20	HHCD	
CCC(CC)[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1	788232958	GQRDOTUVOJSWHB-HSZRJFAPSA-N	405.542	3.973	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(CC(C)(C)C)cs2)cc1	789378359	PHFXRDDUVWGARP-UHFFFAOYSA-N	402.564	3.833	10	20	HHCD	
C[C@H](O)C[C@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	790763945	CWFMCAQEEBFVQO-XYJFISCASA-N	411.493	3.592	10	20	HHCD	
C[C@@H](Oc1ccc(C=O)cc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	796744129	LJSFXHSKOTYASD-WBVHZDCISA-N	418.440	3.653	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)cc1	797421723	BEKGONGWLYLMKO-UHFFFAOYSA-N	404.507	3.538	10	20	HHCD	
CCCc1c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1cc(C)ccn1	797644863	FEHQXZONWCOVLJ-HNNXBMFYSA-N	409.490	3.692	10	20	HHCD	
C[C@@H](CO)NC(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2O)cc1	798085761	XXAIVOBGAKXBAN-KRWDZBQOSA-N	406.482	3.694	10	20	HHCD	
C[C@H](NCCCNC(=O)/C=C/c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	800507187	VBMNAANJEACEFX-BLRBJFNZSA-N	411.521	3.533	10	20	HHCD	
CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	803305050	JDSYKOWPDFYMMD-AUSIDOKSSA-N	423.557	3.556	10	20	HHCD	
CC(=O)c1ccc(NCc2ccc(N(C)C3CCCCC3)cc2)c(S(N)(=O)=O)c1	804387001	LBUHHFCJRIEUJD-UHFFFAOYSA-N	415.559	3.918	10	20	HHCD	
COCc1cnc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	806610096	MBGAZDOREIRZJW-GFCCVEGCSA-N	412.462	3.681	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C	807562600	QHKFIZIKSJSRFA-INIZCTEOSA-N	414.550	3.658	10	20	HHCD	
CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	807701749	KXOJLPRLBZFOHH-NHCUHLMSSA-N	417.619	3.816	10	20	HHCD	
C[C@@H]1CN(c2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)C[C@@H](C)O1	807837285	JWWJPBXLPVDHET-VXGBXAGGSA-N	410.301	3.638	10	20	HHCD	
CCOc1cc(C)ccc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	807859799	XRSXQRDMSNDOIK-UHFFFAOYSA-N	411.546	3.513	10	20	HHCD	
Cc1nn(C)cc1S(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1	808527184	AIXMNZLGDSBETO-UHFFFAOYSA-N	414.459	3.563	10	20	HHCD	
Cc1cc(Br)cc(CNCc2ccncc2OC[C@H]2CCOC2)c1O	809783443	CWXDIVBFSXROHC-AWEZNQCLSA-N	407.308	3.563	10	20	HHCD	
CC[C@H]1[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C(=O)OC(C)(C)C	810112092	IHFGMUPWXMPUQL-PMACEKPBSA-N	401.551	3.939	10	20	HHCD	
CN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)SC1=S	814269739	DYGOEXCELQNCSN-DHDCSXOGSA-N	400.437	3.645	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	819756483	VVAILSCPXXXFIC-UHFFFAOYSA-N	418.440	3.761	10	20	HHCD	
CS(=O)(=O)c1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1F	864013481	YJEPHRKWNAZEDZ-UHFFFAOYSA-N	407.467	3.740	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1	915222636	OZNAKOYGTXMNMI-UHFFFAOYSA-N	420.512	3.645	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1	916259716	GJLVSIHUTAALSJ-UHFFFAOYSA-N	424.545	3.716	10	20	HHCD	
COc1ccccc1C(=O)N1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1	917513432	HQSNWSVFYVRPEW-UHFFFAOYSA-N	423.538	3.762	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC3(N(C)C)CCCCC3)cc2F)C[C@@H](C)O1	918174962	BXXYXVAFOQWHLF-HDICACEKSA-N	420.573	3.503	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1	918428965	FVMITJAIRHEGOM-UHFFFAOYSA-N	418.335	3.859	10	20	HHCD	
COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	921234085	LWVONUZTCDYPMB-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
Cc1cccc(CN2CCCC[C@@H]2C(=O)NCc2ccc(N3CCOCC3)cc2)c1	1318368384	ISJMEPBUVWINBT-XMMPIXPASA-N	407.558	3.503	10	20	HHCD	
CCOc1ccc(CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1OC	1319797674	KLRVEOIOUIVQLE-UHFFFAOYSA-N	401.526	3.617	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)c4ccccc4CS3(=O)=O)c2C)cc1	60278378	KYTFYKXBDUUEDR-UHFFFAOYSA-N	422.506	3.571	10	20	HHCD	
CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	72053974	WMFQZQGXTZOCAH-DJJJIMSYSA-N	403.523	3.663	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cnn(-c3ccccc3)c2)cc1	105551178	PLXGOKGONSERHB-DEOSSOPVSA-N	418.541	3.689	10	20	HHCD	
C[C@H](NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	111100782	IZVHRJSTJZFEMY-HNNXBMFYSA-N	407.436	3.831	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1F	236928083	CUDKSIWYLKNOCO-UHFFFAOYSA-N	421.582	3.991	10	20	HHCD	
O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	303758636	KEIFNZLKDWUSTR-UHFFFAOYSA-N	414.933	3.828	10	20	HHCD	
COc1ccc(CN2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CC2=O)cc1	726500847	PNDUIOKRAXBXEP-NRFANRHFSA-N	423.557	3.547	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(OC)c1OC	727176882	RHTMDUJXYWWSAC-GDNBJRDFSA-N	424.588	3.501	10	20	HHCD	
COC1CCN(C(C)(C)CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	730817043	DTQQWEAQNIKIRV-UHFFFAOYSA-N	404.555	3.564	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2cccn(Cc3ccccc3)c2=O)cc1F	731346314	UXBMWOSUTKIZNZ-UHFFFAOYSA-N	407.489	3.812	10	20	HHCD	
CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)c1cc(O)cs1	732285048	OVLATUPGKVVKHL-UHFFFAOYSA-N	402.497	3.527	10	20	HHCD	
COc1ccc2[nH]cc(CCNC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2c1	733649721	CSZAGIMBPDHZJN-HXUWFJFHSA-N	423.513	3.815	10	20	HHCD	
CC[C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	733951015	SKHVENXOMRZAFS-HXUWFJFHSA-N	406.592	3.534	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cccc(N2C(=O)c3ccccc3C2=O)c1	733972511	HZDIWWRMIMFOLW-UHFFFAOYSA-N	423.519	3.856	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(C(=O)NCc2ccco2)c1	734662130	UOGXBTNQVIXADD-UHFFFAOYSA-N	420.513	3.583	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1F	735755787	XRMWAABUSBBTIY-QGZVFWFLSA-N	400.281	3.731	10	20	HHCD	
CCC(CC)[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CCOCC1	742071110	GFNQNFQEUMQREF-QHCPKHFHSA-N	401.595	3.676	10	20	HHCD	
Cc1ccccc1[C@@H](CC(=O)N(Cc1ccco1)Cc1ccccc1O)NC(N)=O	743430159	DXLJIKXIPMZRHR-HXUWFJFHSA-N	407.470	3.622	10	20	HHCD	
Cc1csc([C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C2CC2)n1	743554299	AHXXUJXRYWQUMY-SFHVURJKSA-N	402.589	3.955	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCC1(O)CCCCC1	743756739	QPYSOMBMGGYASA-QINSGFPZSA-N	424.613	3.541	10	20	HHCD	
CCC(CC)(CCO)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903175	CBRFVONTVLUDPK-MRXNPFEDSA-N	413.509	3.745	10	20	HHCD	
COc1ccc(Br)cc1/C=C1\NC(=S)N(Cc2ccccc2)C1=O	746012348	CAPFRQOHHMHGKW-GDNBJRDFSA-N	403.301	3.716	10	20	HHCD	
Cc1noc(C(F)F)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746313527	LXNMGOBCCDIDBE-LLVKDONJSA-N	401.360	3.921	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1F	746765145	DZUPOXOWCBSCKQ-UHFFFAOYSA-N	412.509	3.768	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H](OCC)C1(C)C	748625217	LLJUZEYBIUTPMR-LEWJYISDSA-N	403.567	3.648	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c1	749299735	ZBTLFTXDXMPHIS-GOSISDBHSA-N	416.543	3.639	10	20	HHCD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749408052	ZLLBVTSTCWBQOM-JOCHJYFZSA-N	400.494	3.569	10	20	HHCD	
Cc1cccc(CN(C)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	751059874	MUKKHZVZNUAGML-UHFFFAOYSA-N	416.524	3.835	10	20	HHCD	
Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751930192	BFMXMTKLJGVLSR-MRXNPFEDSA-N	423.538	3.529	10	20	HHCD	
CCN(C(C)=O)c1nc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)cs1	751944654	IQAIZPBNTUHXQB-UHFFFAOYSA-N	416.528	3.502	10	20	HHCD	
C[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1F	752026156	KQXPADWYIYRFRK-CQSZACIVSA-N	406.448	3.875	10	20	HHCD	
CCc1nsc(N2CCCN(Cc3cc(OC)cc(C(C)(C)C)c3O)CC2)n1	754738343	YJSCMNVUSSTLPF-UHFFFAOYSA-N	404.580	3.825	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](c1ccc(C)cc1)n1cncn1	756043793	BNSXWILILDSCOV-UPVQGACJSA-N	423.536	3.720	10	20	HHCD	
COc1ccc([C@@H](CN[C@@H](C)c2ccc(C)c(C)c2O)N2CCOCC2)cc1OC	756365084	YNHHTCYFMHYQDJ-GHTZIAJQSA-N	414.546	3.750	10	20	HHCD	
C[C@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c2c(O)ccc(F)c21	756476117	LYZLZKLAWGKKST-KSSFIOAISA-N	404.507	3.654	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1	758401867	FRTLVNITDBZPJJ-UHFFFAOYSA-N	404.514	3.659	10	20	HHCD	
Cc1cc(OCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc(C)c1Cl	765595198	GXPAKEXXXFKECD-UHFFFAOYSA-N	416.949	3.861	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br	766048568	UHQLRWNJFYUGDK-UHFFFAOYSA-N	422.659	3.951	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ncn(-c3ccccc3)n2)c(C)n1-c1cccc(F)c1	768687211	VUOFURYWJHVDKU-UHFFFAOYSA-N	418.428	3.854	10	20	HHCD	
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1	769724020	RPKVIJDYFCFTRT-UHFFFAOYSA-N	409.471	4.000	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c2)CC1	770151633	AAFUDTLVJDLYGG-HSZRJFAPSA-N	409.530	3.639	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCN(C(=O)OCc2ccccc2)C1	770212565	YPGLWANBHWQTPC-NRFANRHFSA-N	407.514	3.562	10	20	HHCD	
O=C(c1ccc2nc(C(F)(F)F)cn2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	771438312	UWWUSSWBVNCGBM-INIZCTEOSA-N	419.403	3.880	10	20	HHCD	
COc1ccc(/C=C\C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1O	773406429	DHFAFSPQRFOELW-ZETNRXDVSA-N	416.905	3.554	10	20	HHCD	
CCOc1ccc(CN2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)cc1	773615891	YXDVHXJHFWEMIA-LJQANCHMSA-N	410.562	3.740	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCCS(=O)(=O)c2cc(Cl)ccc2Cl)c1	775364275	QMDQCLYWGFJHHQ-NSHDSACASA-N	404.315	3.832	10	20	HHCD	
CC[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(Cl)ccc1O	775487547	KAIHXKXQLQZVRG-FQEVSTJZSA-N	401.938	3.674	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CNC(C)(C)c1ccccc1Br	775537664	CDPSYOIIOCOCQZ-UHFFFAOYSA-N	418.379	3.998	10	20	HHCD	
COc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cc(OC)c1Br	775752750	DZPVKCSTHYWLHL-UHFFFAOYSA-N	408.296	3.854	10	20	HHCD	
CC(=O)Nc1ccc(C)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	780814739	OTOILXOTPBJRQH-KRWDZBQOSA-N	417.456	3.954	10	20	HHCD	
COCCO[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1	781963367	VWWASUIWLQRCFJ-LJQANCHMSA-N	422.472	3.616	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3ccc(C)c(C)c3Cl)CC2)cc1	783047158	QYCBQGRNJGUMST-UHFFFAOYSA-N	401.938	3.517	10	20	HHCD	
CCOc1cccc2[nH]cc(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c12	783526013	FKFUQDSBNUYRLA-UHFFFAOYSA-N	407.514	3.604	10	20	HHCD	
CC(=O)N1CC(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)C1	788431733	XGFUTTFHORTGGH-UHFFFAOYSA-N	412.490	3.774	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(OC)cc(OC)c1	791245528	AXBYKYJOPMCNQN-UHFFFAOYSA-N	414.502	3.706	10	20	HHCD	
Cc1cc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)cc1C	793612089	GCPLNVVUSFCCIS-SFHVURJKSA-N	400.523	3.537	10	20	HHCD	
COc1cccc(CNc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1O	796381677	FMAZKMVPAURXBF-UHFFFAOYSA-N	404.532	3.886	10	20	HHCD	
Cc1ccc([C@@H](NCc2cc(Br)ccc2O)[C@H](C)S(C)(=O)=O)cc1	798088719	SHFJTGCDMHTJRO-UGSOOPFHSA-N	412.349	3.727	10	20	HHCD	
CC(=O)N1CCC(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1	799920076	AEIHSDNJJCPOQC-MRXNPFEDSA-N	420.985	3.634	10	20	HHCD	
Cc1nn(C)c(C)c1CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799939412	IPGPPFOBPYSECP-AWEZNQCLSA-N	403.958	3.926	10	20	HHCD	
C[C@H](NC(=O)c1ccccc1Oc1cnn(C)c1)c1ccc(N2CCOCC2)cc1	800865538	NQZXUDOHCJTOOE-KRWDZBQOSA-N	406.486	3.540	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CC(c3ccc(OC)cc3)=NO2)cc1	802007483	LFLHKCHEXVXDKZ-NRFANRHFSA-N	410.518	3.534	10	20	HHCD	
Cc1cc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2[nH]c(C)c(C)c2c1	803323759	CRNPPQWQHIBXHA-QGZVFWFLSA-N	406.530	3.653	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCCc4sccc43)cc2)CC1	804382607	HMPSOPILVGWFMC-HXUWFJFHSA-N	411.571	3.794	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1Br	805135400	LBRCOKYNOLUZMN-UHFFFAOYSA-N	411.104	3.940	10	20	HHCD	
CC[C@H](N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc(Cl)c1O	806147480	JLTKFMBHWWNIKN-OALUTQOASA-N	404.894	3.909	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1cc(F)c(N2CCOCC2)cc1F	806743056	JFCNLGLZJCMQAG-UHFFFAOYSA-N	414.503	3.562	10	20	HHCD	
Cc1cccc(O[C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	807636187	KZSNYPRDQVORBA-FQEVSTJZSA-N	423.557	3.527	10	20	HHCD	
O=C(c1cccc(NCc2ccc(Br)cc2O)c1)N1CCC(CO)CC1	864028862	ITRSMIKOQNDTKQ-UHFFFAOYSA-N	419.319	3.611	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cccnc2-n2cccn2)c(C)n1-c1ccccc1	878910674	PWRYTAJKVPFMKW-UHFFFAOYSA-N	400.438	3.715	10	20	HHCD	
Cc1c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cccc1-n1cnnn1	916670332	HJIJPRITUGRAKG-UHFFFAOYSA-N	404.430	3.504	10	20	HHCD	
CCc1cccc(CC)c1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	918294355	GLGTZUVYAAZRSX-HXUWFJFHSA-N	410.514	3.663	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(CCC(=O)O)cc1	13313363	RKSZHAUTPLBFCZ-UHFFFAOYSA-N	416.543	3.515	10	20	HHCD	
COc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1OC	48745146	XJLXPEIIYZSTJK-UHFFFAOYSA-N	410.436	3.849	10	20	HHCD	
CN(Cc1ccc(Cl)s1)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	216472609	GLGCDIHAZVCXRG-INIZCTEOSA-N	408.951	3.747	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cc1	726102651	IIJVQVLNBYOHBA-UHFFFAOYSA-N	414.594	3.857	10	20	HHCD	
CCc1cccc(NC(=O)CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1	726250914	KTYXREKZIGZUET-UHFFFAOYSA-N	407.470	3.898	10	20	HHCD	
COCCCN1Cc2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2C1	726489709	OWGOAIPCWDZZFH-UHFFFAOYSA-N	412.603	3.852	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCc3ccc(OC4CCCC4)nc3)CC2)cc1	726609561	CARWXWQGOWHAKY-UHFFFAOYSA-N	424.545	3.880	10	20	HHCD	
Cc1ccccc1C1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1	726619840	VCFKUQNUNDRDRE-UHFFFAOYSA-N	407.558	3.735	10	20	HHCD	
CC(C)(CCc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	727600615	HRHHIERFOUAWDU-UHFFFAOYSA-N	413.537	3.997	10	20	HHCD	
Cc1[nH]nc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1C	728190251	ACCOCFCRJCJMMM-LCYFTJDESA-N	406.558	3.708	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1	728603589	RIIOHQVEVSZRFH-HSZRJFAPSA-N	408.590	3.897	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1	728839656	UPKVPEOMWTVXSH-QGZVFWFLSA-N	419.447	3.697	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2nc(O)c3c(C)c(C)sc3n2)c1	728983349	YNHOIRUDLSRYRN-NSHDSACASA-N	401.488	3.538	10	20	HHCD	
CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731131075	DVAVRSWVOSPULY-UHFFFAOYSA-N	413.493	3.716	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)cc1F	731346118	RUXXMANWHUQGSS-UHFFFAOYSA-N	411.525	3.738	10	20	HHCD	
Cc1ccc(C2(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCOCC2)cc1	731980115	SLNFAQOCIFUNFK-HXUWFJFHSA-N	408.542	3.757	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCNC(=O)c2c(F)cccc2F)c1	732967520	RBYWUTKHHIHQDN-UHFFFAOYSA-N	411.452	3.841	10	20	HHCD	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	733311602	WLBCQCYSYFNHMM-HZPDHXFCSA-N	402.520	3.794	10	20	HHCD	
CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1	734669757	ZZDWUJAIHSWRAN-HSZRJFAPSA-N	414.594	3.774	10	20	HHCD	
C[C@](CO)(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1	734845139	KUSKHPJWHXSBEF-HXUWFJFHSA-N	412.427	3.678	10	20	HHCD	
O=C1/C(=C/c2cccc3c2OCCCO3)SC(=S)N1c1ccc2c(c1)OCO2	735328541	BYVIIOJWMYDHFG-MFOYZWKCSA-N	413.476	3.982	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2N(C)Cc2ccccc2)cc1	737078645	DMUKKKSCAOQPBG-UHFFFAOYSA-N	416.525	3.644	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cc1	741136110	DWCMPDILYHPAHZ-UHFFFAOYSA-N	404.532	3.893	10	20	HHCD	
Cc1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1-n1cncn1	742369822	WFEGRYNBMPFYBJ-UHFFFAOYSA-N	413.472	3.936	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(CNC(=O)C=C(C)C)cc3)CC2)cc1	742565383	FVKCLGFCCJHFHL-UHFFFAOYSA-N	421.541	3.630	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(S(=O)(=O)C(F)F)cc1	743073874	NFAADAYWJBQKHY-UHFFFAOYSA-N	410.442	3.589	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)NCC1CCN(Cc2ccccc2)CC1	743560561	CLIBXGIZIOPUQN-UHFFFAOYSA-N	407.558	3.982	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1O	750816854	AMERHSUTOGTDFL-UHFFFAOYSA-N	403.429	3.659	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C2CC2)cc1	751566053	XZCLZXFGANURPV-UHFFFAOYSA-N	422.497	3.695	10	20	HHCD	
Cc1cc(N2CCCC2)ccc1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	756335161	FBSJEFOHFNDZQH-QFIPXVFZSA-N	423.557	3.921	10	20	HHCD	
C[C@H](NCCC(=O)N(C)Cc1ccccc1Br)c1cc(F)ccc1O	756562111	GLLFERVIYYYFMU-ZDUSSCGKSA-N	409.299	3.993	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1	761972028	FTHUUFRTFUQAIU-KUHUBIRLSA-N	400.475	3.844	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cc(F)cc(Cl)c3)cc2)C1	764207648	LGPZFFRIEDFXMR-AWEZNQCLSA-N	404.873	3.503	10	20	HHCD	
C[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1	764881407	REMRGQOQZFLMTJ-DJJJIMSYSA-N	409.313	3.741	10	20	HHCD	
CCC1(CC)[C@@H](N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@H]1OC	766894578	WVSBTVLVGXBQFX-JRGCBEDISA-N	403.567	3.819	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCOC2(CCOCC2)C1	768755507	VSEWBGZNVCSXMQ-FQEVSTJZSA-N	422.485	3.885	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1	769281436	BKKHCLFAZDYMGH-RGEXLXHISA-N	417.494	3.764	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCOc1ccccc1[N+](=O)[O-]	769289299	CRWKIZQYUPRBFO-UHFFFAOYSA-N	423.263	3.881	10	20	HHCD	
C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1ccc(N2CCC(CO)CC2)cc1	769686566	WBBIHQAAPVUUOM-QZTJIDSGSA-N	405.583	3.677	10	20	HHCD	
CCC1(O)CCC(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	772096116	SNYBRJQLYWRLLC-ZGOJQLDESA-N	411.493	3.640	10	20	HHCD	
CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1	773098652	NZWUNPXXGHOUMW-MJGOQNOKSA-N	420.550	3.565	10	20	HHCD	
CC(=O)Nc1sc(NS(=O)(=O)c2cnc(Cl)c(C)c2)nc1-c1ccccc1	775206909	FKVDKFYGJINTAY-UHFFFAOYSA-N	422.919	3.926	10	20	HHCD	
CC[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cc(Br)ccc1O	775490342	CAUGAYAKHVQVRP-GOSISDBHSA-N	421.335	3.863	10	20	HHCD	
CC(C)C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCO1	776896558	OIHDDQIUVTULKT-RAUXBKROSA-N	421.557	3.832	10	20	HHCD	
CCOC(=O)c1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)ncc1Cl	779708784	XUZJLZXNRIIDIN-UHFFFAOYSA-N	407.873	3.624	10	20	HHCD	
CO[C@]1(C(F)(F)F)CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	780494657	AHRVVKGKAGSOSQ-HXUWFJFHSA-N	409.404	3.872	10	20	HHCD	
CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	785296222	MEJOSCXZSGWRPB-GFCCVEGCSA-N	422.934	3.938	10	20	HHCD	
Cc1cc(C(=O)N(C)Cc2ncnn2CC(F)F)c(C)n1-c1cccc(Cl)c1	787857108	ODLJECMQJBNVCQ-UHFFFAOYSA-N	407.852	3.876	10	20	HHCD	
CCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1F	788931170	XKVMYSFLXSBPJH-OAQYLSRUSA-N	415.484	3.839	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1	790599163	TZIYAUJAFKSUHL-UHFFFAOYSA-N	418.291	3.712	10	20	HHCD	
COC(=O)c1occc1COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	791205097	MXAZYZQDGYFTAC-UHFFFAOYSA-N	424.792	3.852	10	20	HHCD	
CCN(CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1ccc(OC)cc1	794414221	QRYKLKDYRGMCAR-UHFFFAOYSA-N	402.564	3.849	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)c(O)c1	797387935	QXNUWNBUGJKNHN-UHFFFAOYSA-N	406.438	3.756	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@H](Cn1ccccc1=O)c1ccccc1	800712949	VLZSQAMHLYYXAR-QGZVFWFLSA-N	414.556	3.528	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-n2nc(C)cc2C)c1	802610422	ZEXQFCIMSMJYAU-UHFFFAOYSA-N	420.513	3.962	10	20	HHCD	
CCc1cccc2c(CCNC(=O)C(=O)N(CC)Cc3ccc(N(C)C)cc3)c[nH]c12	805195378	NXJBQSAYXPDHHI-UHFFFAOYSA-N	420.557	3.504	10	20	HHCD	
COc1cc(C)c(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1C	806765958	JOCJWDXQXNGDHF-UHFFFAOYSA-N	401.482	3.918	10	20	HHCD	
COC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1	808238361	YFSCMGWOCHBIAA-LJQANCHMSA-N	421.900	3.503	10	20	HHCD	
Cc1nc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)ccc1-c1ccccc1	810367964	MTVACFZWWFGNNW-UHFFFAOYSA-N	412.493	3.688	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1	813561613	ZXKCDHVBBCQNIP-SFHVURJKSA-N	416.566	3.874	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1O	815562971	QNJBXXFPGXMPAZ-HOCLYGCPSA-N	421.463	3.964	10	20	HHCD	
Cc1oc2c(CN(C)CC(=O)N3CCCC3)c(O)ccc2c(=O)c1-c1ccccc1	874063282	AVBCUQMMGNDQGA-UHFFFAOYSA-N	406.482	3.528	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(OC)c(C(=O)O)c3)c2C)cc1	915267281	SKLSSTHQSPTPTN-UHFFFAOYSA-N	408.454	3.740	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	915779211	ZACOVFGAKAWLIB-UHFFFAOYSA-N	423.847	3.797	10	20	HHCD	
CCN(CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	916198954	SJUBSIBYDHHFAS-JOCHJYFZSA-N	411.546	3.999	10	20	HHCD	
COc1ccc(F)cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916458091	UJFKHDKEWZZXDS-UHFFFAOYSA-N	412.383	3.620	10	20	HHCD	
Cc1cc(-c2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2C)c(C)n1-c1ccccc1	1321218335	RRLVQOZFKWQNKZ-UHFFFAOYSA-N	414.513	3.625	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC([C@@H](O)c4ccc(F)cc4)CC3)cc2F)CC1	1337033579	ZWCCTTGVWFAOJV-DEOSSOPVSA-N	415.528	3.662	10	20	HHCD	
CC(=O)N[C@H](C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C)C1CCCC1	12838571	LJYXMQYJIIOYAG-QFIPXVFZSA-N	414.477	3.654	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	27579947	NTUBCJDXWYGZBS-OAQYLSRUSA-N	408.498	3.583	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(CCc2ccc(O)cc2)CC1	115570304	QNUYXVJDEGEEHK-UHFFFAOYSA-N	409.574	3.761	10	20	HHCD	
CCN(C)Cc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	141322690	SKNKCWOFLAJMLK-IBGZPJMESA-N	410.562	3.535	10	20	HHCD	
O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1Cl	726603530	JALNWPFEYLTSPP-UHFFFAOYSA-N	416.877	3.889	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3cccc(Br)c3C)CC2)cc1	726968977	IDCUAEJUKGWYIX-UHFFFAOYSA-N	418.335	3.527	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Cl	729853296	OFUDMBMXQTZBBN-UHFFFAOYSA-N	403.331	3.889	10	20	HHCD	
COC(=O)COc1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731106315	UWFNILZWGBIVOX-UHFFFAOYSA-N	411.502	3.796	10	20	HHCD	
COC(=O)CN(Cc1nc(-c2ccccc2C)no1)Cc1cc(Cl)ccc1O	731845351	WJHBNCFPWJYWIA-UHFFFAOYSA-N	401.850	3.579	10	20	HHCD	
COC(=O)CCCOc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	734135815	AHPQGWWTUMWTDS-UHFFFAOYSA-N	421.497	3.751	10	20	HHCD	
CNc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc(Cl)n1	735655568	GQEPOPYMWFCQMY-GOSISDBHSA-N	402.926	3.664	10	20	HHCD	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	736653799	UIPJKSXCRGZYDU-VQIMIIECSA-N	415.484	3.889	10	20	HHCD	
CN(C)C(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	739708144	HMVASMPGMGDAQQ-QFIPXVFZSA-N	424.545	3.668	10	20	HHCD	
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(N2CCOCC2)cc1	741730319	NGYZRRFRKBWHID-UHFFFAOYSA-N	408.329	3.901	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CCCC(C)(C)CC3)cc2F)C[C@H](C)O1	741805776	VATZYLWJQLLUKS-ROUUACIJSA-N	405.558	3.568	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cccnc2Cl)NC(=O)OC(C)(C)C)cc1	742752267	FQNNEPPTVYDOHS-KRWDZBQOSA-N	418.925	3.797	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3cc(C)sc3C)CC2)cc1	742939986	OECGCHXEALCJDW-KRWDZBQOSA-N	416.591	3.556	10	20	HHCD	
CC[C@H](C)NC(=O)c1cccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c1	743537762	NYVMTVPNBPEBEE-INIZCTEOSA-N	409.530	3.799	10	20	HHCD	
CCN(C[C@H]1CCCO1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	743912054	QQFMXYNQBQGIKZ-IZCBMXNHSA-N	424.613	3.757	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1O	745813097	XPUPXWBMWRJQST-IBGZPJMESA-N	417.937	3.908	10	20	HHCD	
COc1ccc2c(c1)OCC[C@H]2NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	745861355	KPJPRNMXKPTPBD-UYAOXDASSA-N	412.486	3.615	10	20	HHCD	
O=C1/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)NC(=S)N1C1CCCCC1	747187661	KKQLUWJZSXNXMH-GHRIWEEISA-N	414.531	3.975	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C3CCOCC3)CC2)c(C)n1-c1ccc(Cl)cc1	747430838	CBAOCUBBHPZRSX-UHFFFAOYSA-N	401.938	3.684	10	20	HHCD	
COc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c([N+](=O)[O-])c1	751136706	KYXXQZPHXASUOD-UHFFFAOYSA-N	420.487	3.833	10	20	HHCD	
O=C(C[C@@H]1CSCCS1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	752016750	UEAGVTBBMQXAIC-CZUORRHYSA-N	402.532	3.612	10	20	HHCD	
CCCC(CCC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	753043946	VJZKCBCZFZRFHB-UHFFFAOYSA-N	413.541	3.775	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3CCc4cc(OC)ccc4C3)CC2)cc1	753156404	YRFHMGGJGVLCJM-FQEVSTJZSA-N	409.530	3.529	10	20	HHCD	
Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1	753547412	QDEZMDTWAXIJLY-QHCPKHFHSA-N	407.514	3.650	10	20	HHCD	
CC[C@@H](NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)s1	754334233	PGOVHIDMDUUDPF-IEBWSBKVSA-N	424.010	3.634	10	20	HHCD	
C[C@H]1CN(CCCCN[C@@H](C)c2cc(Br)cc(F)c2O)C[C@@H](C)O1	756482148	GZRAABIHWKIDHY-MJBXVCDLSA-N	403.336	3.834	10	20	HHCD	
CCc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1CCC(C)C	756838282	PNWDSBSUHAGLAJ-UHFFFAOYSA-N	416.541	3.522	10	20	HHCD	
C[C@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc(Br)ccc1O	756894758	PYIHPVVSWCAODF-NSHDSACASA-N	404.264	3.726	10	20	HHCD	
COc1cccc(OC)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	756919846	KRRBZKWMYDUIIQ-FQEVSTJZSA-N	412.530	3.520	10	20	HHCD	
CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)s1	758162484	MUKAKYDXSMLRHD-ZETCQYMHSA-N	409.316	3.758	10	20	HHCD	
CCCCN1CCc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc21	761025360	GJSDFHWSZWJNGN-UHFFFAOYSA-N	408.546	3.512	10	20	HHCD	
COc1cc(Cl)cc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1O	761183470	LLIBTIHJGVRDLU-UHFFFAOYSA-N	418.877	3.634	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	764643738	KEKUEBMASIXLOF-LJQANCHMSA-N	409.313	3.522	10	20	HHCD	
O=C(NCc1cc(Br)cs1)NCc1cccc(Br)c1O	764766351	ZNFWWBJADHDBGY-UHFFFAOYSA-N	420.126	3.978	10	20	HHCD	
Cc1ccccc1-n1nccc1NC(=O)NCc1cccc(Br)c1O	765340416	VXWGECMOYDOCOF-UHFFFAOYSA-N	401.264	3.971	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(C(F)(F)F)ccn1	765342232	JILKTRKCWCIAND-UHFFFAOYSA-N	408.424	3.631	10	20	HHCD	
Cc1cc(CC(=O)N2CCOC3(CCOCC3)C2)c(C)n1-c1ccc(Cl)cc1	768383896	OGJJJZCERMIWAQ-UHFFFAOYSA-N	402.922	3.698	10	20	HHCD	
COc1cc(Br)cc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O	769196257	UFWBPLCXZQVCTE-GFCCVEGCSA-N	415.328	3.510	10	20	HHCD	
O=C(Cc1ccc(NCc2cccc(Br)c2O)cc1)N1CCSCC1	770419937	FXAJBTXCSNFXSK-UHFFFAOYSA-N	421.360	3.885	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cccc(OCc2cccnc2)c1	771877991	LTCMNGLEKMTIBH-UHFFFAOYSA-N	423.856	3.988	10	20	HHCD	
COc1ccc(N2CCC(N[C@H](CO)c3ccc(Br)cc3)CC2)cc1	773139885	UADZECLDXWJGNC-HXUWFJFHSA-N	405.336	3.750	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)c1ccc(N(C)C)cc1	773848643	SZOQVUFJJLMYTB-NSHDSACASA-N	424.726	3.984	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1	775374542	DBTXUDVMGGNTMS-YVEFUNNKSA-N	410.392	3.756	10	20	HHCD	
CC[C@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cc(Br)ccc1O	775546455	IMRUAKQADPVJAS-QUCCMNQESA-N	419.363	3.962	10	20	HHCD	
C[C@@H](c1ccccc1)N(CC1=Nc2ccccc2S(=O)(=O)N1)Cc1ccccc1O	776009413	JIHLXXOXGQAJHQ-KRWDZBQOSA-N	421.522	3.978	10	20	HHCD	
C[C@](O)(CNCc1cc(Br)cc(Br)c1O)c1ccco1	776222890	WHVXWACUHQDKPH-AWEZNQCLSA-N	405.086	3.508	10	20	HHCD	
COc1cc(OC)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1Br	776750884	MMVNRWFSOXDOKI-UHFFFAOYSA-N	422.684	3.626	10	20	HHCD	
COCc1noc(COC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1	777059223	LXFBOCOWIKYMLW-UHFFFAOYSA-N	420.263	3.743	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@]23CCOC3=O)c(C)n1-c1ccc(Br)cc1	779253873	QENJYZKPQLQQEK-HXUWFJFHSA-N	417.303	3.778	10	20	HHCD	
COc1cccc(OC)c1Oc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cn1	779500735	PSOQMJQCAJZOFF-JXMROGBWSA-N	422.437	3.632	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(OC)c(C(C)C)c(OC)c3)CC2)cc1F	781163517	CDXVLHHAUMDMCO-UHFFFAOYSA-N	416.493	3.937	10	20	HHCD	
CCOC(=O)c1sc2nc(C)nc(N[C@H](C)Cc3ccc(O)c(O)c3)c2c1C	782042266	NVBZRVZGDFURMN-SNVBAGLBSA-N	401.488	3.939	10	20	HHCD	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)OCC(=O)c1ccc(O)c(O)c1	782652732	PRLLWRHLIYLCTF-UHFFFAOYSA-N	401.802	3.765	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)C2CCCCC2)cc1	784059536	MLEWEOBGPGVJEY-QFIPXVFZSA-N	423.513	3.741	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1	790954121	RLRVYCMDMTXCOI-UWVAXJGDSA-N	406.530	3.557	10	20	HHCD	
Cc1cc(C(=O)CN2CCn3cnnc3[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	792376711	YGWOCQXYDMUYHH-HNNXBMFYSA-N	415.444	3.547	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1O	797997386	KVPSMYPIKRRQIK-LIRRHRJNSA-N	409.935	3.821	10	20	HHCD	
Cc1cc(C(=O)NCC2([S@@](C)=O)CCC2)c(C)n1-c1cccc(Br)c1	798101727	OVBLHWUAFMGQEY-RUZDIDTESA-N	423.376	3.888	10	20	HHCD	
CCn1cccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1=O	799985243	RVXGTOCEQBNFIU-MRXNPFEDSA-N	416.953	3.757	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)Cn3ncc4ccccc4c3=O)cc2Cl)C1	800050644	YKMHYKRDMIBCBD-MRXNPFEDSA-N	424.932	3.603	10	20	HHCD	
Cc1cc(-c2nnc(N3CCSC4(CCOCC4)C3)n2C)c(C)n1-c1ccccc1	800742567	USGONWGMEDBULB-UHFFFAOYSA-N	423.586	3.992	10	20	HHCD	
O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)nc1Cl	805135219	QNZPTAGTCJXYIU-UHFFFAOYSA-N	402.086	3.879	10	20	HHCD	
CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	806542766	YAOXOFMBBAUEBX-UEXGIBASSA-N	414.550	3.606	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1	807269951	MFJSKTHQGZYYEQ-INIZCTEOSA-N	404.532	3.869	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccncc1OC[C@H]1CCOC1	807616738	WOJAAXPMRRPBPO-SFHVURJKSA-N	413.518	3.714	10	20	HHCD	
Cn1ccc(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)c1	809500623	WOAKOTFVJUFGRS-UVTDQMKNSA-N	416.553	3.971	10	20	HHCD	
O=C1NCc2c(NCc3cc(Br)cc(Br)c3O)cccc21	809721887	FBMFUXTZZMEMTH-UHFFFAOYSA-N	412.081	3.773	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1O	809746565	XRAIUSMQNSGYOC-ZDUSSCGKSA-N	419.865	3.545	10	20	HHCD	
CC[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C(F)(F)F)cc1O	810213139	NABWOYNTSYZENK-QGZVFWFLSA-N	416.465	3.902	10	20	HHCD	
Cc1nc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1-c1ccccc1	810348820	VNQYXLSMYVRRGN-UHFFFAOYSA-N	414.509	3.912	10	20	HHCD	
CC(C)c1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n(-c2ccccc2)n1	810387589	BEYFSEIVQJCEOE-KRWDZBQOSA-N	419.529	3.878	10	20	HHCD	
C[C@H](Nc1cc(C2CC2)n(C)n1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	811803168	ORTVBLLYUMIIHN-ZDUSSCGKSA-N	414.465	3.512	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)c1	813489144	QJSSLIPZHRPCOU-INIZCTEOSA-N	417.527	3.755	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	915222644	PLFLTBKQJNONFO-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	917708929	NYTCTUVAQKDYEL-UHFFFAOYSA-N	405.473	3.963	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CCCc2ccccc21	918117310	KCOUWUHUXPQJIV-OFNKIYASSA-N	420.557	3.607	10	20	HHCD	
COCc1ccc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	918212694	VTVUWDINPMHUMC-IAGOWNOFSA-N	415.509	3.585	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(F)cc1C(F)(F)F	919792051	RLRHCXGOKVBQHY-UHFFFAOYSA-N	411.399	3.681	10	20	HHCD	
CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCc1ccc(N(C)C)cc1	919883760	NMORQAAKUHHYQR-RUZDIDTESA-N	417.553	3.906	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H](C(C)C)N2CCOCC2)c1	1248724959	OWOHIGYHSUGACJ-OAQYLSRUSA-N	403.954	3.834	10	20	HHCD	
COc1ccc([C@@H](NC(=O)c2cccc(O)c2O)c2ccc(OC)cc2OC)cc1	1324918567	DFFXYHWKQKTMSE-OAQYLSRUSA-N	409.438	3.643	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCCC1)c1cc(O)c(O)c(Cl)c1	1795412899	SRHGBNKIQHSWGX-MUJYYYPQSA-N	406.910	3.583	10	20	HHCD	
CCc1nc2ccccc2n1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	108284564	SJRFFRIUNVBWFJ-CALCHBBNSA-N	424.520	3.668	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H](C)c3cccc(C)c3C)CC2)cc1	303738934	XSOHQVYMEBPNNS-NRFANRHFSA-N	424.589	3.885	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cn1	726986313	OKTFOODLLHFRKT-DHDCSXOGSA-N	418.496	3.522	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1	728838992	DLQXYRLXQNMGET-IBGZPJMESA-N	423.410	3.976	10	20	HHCD	
Cc1cccc([C@H](CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)NC(N)=O)c1	731014715	GSWOYXRPPWIALE-QFIPXVFZSA-N	408.546	3.647	10	20	HHCD	
CC(C)C[C@@H]1CCCCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	740887635	YKNUYPIEARSINV-FQEVSTJZSA-N	405.558	3.569	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3SCCc4ccccc43)cc2F)CC1	742645271	OBWPXQJZOYQLHF-QFIPXVFZSA-N	413.562	3.614	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)Oc2ccc(Br)cc2)c1	743705361	OZQMPVRLBWYSPA-OLZOCXBDSA-N	423.307	3.991	10	20	HHCD	
CCN(CC(=O)N(C)Cc1ccccc1OC)Cc1cc(Br)ccc1O	743871269	ZJISCMWSGDJFMJ-UHFFFAOYSA-N	421.335	3.644	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Oc1ccccc1F	745891921	IQQVPHQZMQDCDA-FUHWJXTLSA-N	402.466	3.689	10	20	HHCD	
CSc1nc(C2CC2)nc(C)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	746167283	DMAXQAUTYXZXGY-CQSZACIVSA-N	412.559	3.712	10	20	HHCD	
COc1cc2c(cc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)O[C@@H](C)C2	746345349	LHIVCWJYBQSPEI-INIZCTEOSA-N	409.530	3.959	10	20	HHCD	
COCCN(CC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccc(OC)c(OC)c1	746475816	YVHNLKOMRIGJMH-OAQYLSRUSA-N	412.530	3.693	10	20	HHCD	
COc1cc(C(=O)N2CCN(Cc3cc(Cl)cc(C(C)=O)c3O)CC2)ccc1C	750037756	BOFHLBPYHGVEBN-UHFFFAOYSA-N	416.905	3.523	10	20	HHCD	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	753645034	RSNROSQVVZKFET-GFCCVEGCSA-N	400.475	3.954	10	20	HHCD	
COc1ccc(CCCC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c(OC)c1	754062937	DOAVTNSOGKRZCF-UHFFFAOYSA-N	416.493	3.523	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1	756611624	UHFZZRUBRWZKHS-OAHLLOKOSA-N	424.588	3.530	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H](C)N(Cc4ccccc4)C3)CC2)cc1	757669592	HLOKQQPJFKNOFM-SIKLNZKXSA-N	422.573	3.626	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1coc(-c2cccs2)n1	760979896	XNMBWVTZRQNSAF-UHFFFAOYSA-N	403.847	3.727	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1ccccc1O	761174994	JSKZCOZRPNOCLJ-WOJBJXKFSA-N	410.514	3.521	10	20	HHCD	
CCOc1cc(CN(C)c2ccc(OC)c(OC)c2)ccc1O[C@@H](C)C(=O)N(C)C	761223333	ZSZFOUSESIRZNC-INIZCTEOSA-N	416.518	3.594	10	20	HHCD	
COc1ccccc1OC[C@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761425573	FQWYSUQYDOKMCK-CQSZACIVSA-N	418.877	3.534	10	20	HHCD	
CC(C)(NCc1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccc(Br)cc1	762788109	UOVVKKZXPBCZCS-FQEVSTJZSA-N	419.363	3.888	10	20	HHCD	
CCOc1ccccc1C(F)(F)C(=O)NCc1cccc(Br)c1O	765746211	DVYYZCPBJDOYGY-UHFFFAOYSA-N	400.219	3.962	10	20	HHCD	
Cc1c(C(=O)NCc2cccc(Br)c2O)cnn1-c1ccc(F)cc1F	765751584	GZNWUGBCGBEBTH-UHFFFAOYSA-N	422.229	3.857	10	20	HHCD	
COc1cccc(C(=O)NCc2cccc(Br)c2O)c1OC(F)F	765766784	BNDOZFSYKBPHKW-UHFFFAOYSA-N	402.191	3.695	10	20	HHCD	
COc1cc(Br)cc(CN(C)Cc2cnn(-c3ccccc3)c2)c1O	768207342	DUUGZOYSJIKTPW-UHFFFAOYSA-N	402.292	3.981	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2F)C[C@@H](C)O1	769384246	JXTAOYZESHUEDK-JFIYKMOQSA-N	407.530	3.538	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769422459	JMPZLEWEKRSXAO-IEBWSBKVSA-N	421.557	3.788	10	20	HHCD	
CCCCc1ccc(NC(=S)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)cc1	769795863	TVLDUCSEOAULPY-UHFFFAOYSA-N	413.551	3.943	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1	770748372	JTQIVJYLSDVKMC-UHFFFAOYSA-N	421.463	3.940	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)c2)CC1	771638032	WYWLFIBHJLBXPY-UHFFFAOYSA-N	423.517	3.589	10	20	HHCD	
CCc1nn(C)cc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	774016185	VTFXURRCKKLBQC-XNTDXEJSSA-N	420.585	3.664	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c(C)c1O	775292330	YDWKVHDBMLLMGD-UHFFFAOYSA-N	415.265	3.789	10	20	HHCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	778233938	JLNHFKUMYAYHGK-PMACEKPBSA-N	410.474	3.693	10	20	HHCD	
Cn1cc([C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)c2cccc(F)c2)cn1	779023381	RDLZOOGDKWAORA-HSZRJFAPSA-N	412.484	3.539	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccnn1Cc1cccc(Br)c1	779474435	TZBYNTKZRRTONC-UHFFFAOYSA-N	401.264	3.721	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1F	782425233	YDANNJYWYPCQBE-UHFFFAOYSA-N	409.461	3.961	10	20	HHCD	
COc1ncc(C)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1	783483185	OPTCEANOFINZGY-MRXNPFEDSA-N	404.470	3.714	10	20	HHCD	
O=C(CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)Nc1cccc(F)c1	783936005	VXNYZLKYAQUTBL-UHFFFAOYSA-N	419.416	3.935	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1-c1nncn1C(C)C	784025705	IKGZXNJWNSBDHN-UHFFFAOYSA-N	421.501	3.609	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1O	784522465	HHGNZSTUMICIET-JVPBZIDWSA-N	406.498	3.859	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCc2ccccc2Oc2cccc(F)c2)cc1	785427993	IQHJPYJIXAMSEK-UHFFFAOYSA-N	421.472	3.617	10	20	HHCD	
CCN(CC)Cc1ccc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1	787875986	SEUOVJZFDBWMQB-UHFFFAOYSA-N	410.562	3.582	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2n1	791611689	GRJREANZPAOBLZ-UHFFFAOYSA-N	402.388	3.669	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSCCC(F)(F)F)cc2F)C[C@H](C)O1	794540946	GWGNUBYZBNKIDM-STQMWFEESA-N	408.461	3.741	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)CN3C[C@@H]4[C@@H](CO)[C@@H]4C3)c2C)ccc1Br	794842519	KNFDZRWPJQLKLR-BWTSREIZSA-N	417.347	3.518	10	20	HHCD	
CC[C@@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(Br)ccc1O	797041223	XUGZOHFHLHRBHT-DOTOQJQBSA-N	410.356	3.876	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2c(=O)o1	797745197	XVTPFZYUVREDGP-QGZVFWFLSA-N	412.873	3.546	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	798225326	SFHMBGZSNXQPHA-UHFFFAOYSA-N	415.874	3.664	10	20	HHCD	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)C1	798367054	SDAOVMUGWHMIAF-MNAPGUCWSA-N	417.619	3.711	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCCCN1C(=O)c2ccccc2C1=O	802144452	QNNGKXQJRSQEHA-UHFFFAOYSA-N	423.513	3.780	10	20	HHCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@H](C)S1(=O)=O	805013190	ZTCJJRQFTZATQY-LAUBAEHRSA-N	421.607	3.563	10	20	HHCD	
CCc1nc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cs1	806116903	JYYYCFNVEHAERO-MRXNPFEDSA-N	414.575	3.532	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1	806457184	FXDUTGLPOWAHOO-IRXDYDNUSA-N	413.484	3.586	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(CCC(F)(F)F)Cc1ccccc1	807099441	VVDUAOXCCOWGFE-UHFFFAOYSA-N	421.463	3.658	10	20	HHCD	
COCCn1nnc2c1CCN(C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2	814485015	SSHXMIDLZLIVNB-UHFFFAOYSA-N	405.462	3.930	10	20	HHCD	
CC(C)(C)C(=O)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	914568619	AFODSCIFUQZGKX-UHFFFAOYSA-N	405.336	3.998	10	20	HHCD	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccccc2)c(C)s1	916088707	CLIZTIHAGHGLFJ-UHFFFAOYSA-N	417.512	3.886	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCOc2c(Cl)cccc21	919916661	ZYGGZQNSBDDSNI-HXUWFJFHSA-N	415.921	3.842	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)cc1	920047800	VERSDYCUZOCSIE-JOCHJYFZSA-N	410.562	3.894	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cnc4c(cnn4C)c3)n2)s1	1320729232	GVHBBWSYVDITTA-UHFFFAOYSA-N	405.530	3.517	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnoc2)cc1	1796990770	TYULCKJMBDWBQK-QQFNCUIESA-N	418.497	3.648	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1OC	140292627	DMTRSMBQYVIILW-QGZVFWFLSA-N	409.442	3.704	10	20	HHCD	
COCCOc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1	142064612	LAXFVJJZORFSJR-GOSISDBHSA-N	413.518	3.740	10	20	HHCD	
CCOc1ccccc1OCCCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	145484962	UOACWGDFWMHFML-LJQANCHMSA-N	412.530	3.958	10	20	HHCD	
Cc1ccccc1C1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCOCC1	145753816	DIHXTRALNFOAMN-HXUWFJFHSA-N	408.542	3.757	10	20	HHCD	
CCOc1cc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OC	217038440	NQIFZRKCTZHHPH-UHFFFAOYSA-N	401.463	3.730	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCCc3ccccc3Cl)cc2F)CC1	303350397	YERQECMEFVEZDM-UHFFFAOYSA-N	418.944	3.663	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cnn(CC(C)C)c2C(F)F)n(C)c2ccccc12	472785769	JCNIULTZNXUDFD-UHFFFAOYSA-N	417.460	3.532	10	20	HHCD	
CCc1c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cnn1CCC(C)C	472813136	SKNXYDNTGDKYKN-UHFFFAOYSA-N	409.534	3.547	10	20	HHCD	
Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)NCc1c(C)c2ccccc2n1C	473277001	APSKZUDSMIIVNG-UHFFFAOYSA-N	415.497	3.602	10	20	HHCD	
COc1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F	726612465	ACDKLMUQHNHMRH-UHFFFAOYSA-N	423.435	3.904	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)c(C)o1	727425993	GGGDEMGDFPYWAN-UHFFFAOYSA-N	400.519	4.000	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)cc2F)CC1	730193179	YCFACIMJUGWFOJ-YLJYHZDGSA-N	413.537	3.933	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	730207123	IOFVBFPEMZNSID-LJQANCHMSA-N	409.505	3.828	10	20	HHCD	
Cc1cc(C(=O)CSCCS(C)(=O)=O)c(C)n1-c1ccc(F)c(Cl)c1	730465796	AZXLDFZACNILGV-UHFFFAOYSA-N	403.928	3.847	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3cccc(OCC(=O)N(C)C)c3)cc2)CC1	731106324	VFEPEQJIXPMKGG-UHFFFAOYSA-N	424.545	3.712	10	20	HHCD	
COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1Cl	731132036	RUHXYUOBAKJGIK-UHFFFAOYSA-N	415.921	3.840	10	20	HHCD	
Cc1cc(C(=O)CS(=O)(=O)Cc2noc3c2CCCC3)c(C)n1-c1ccccc1	731279054	BAXVICMARVUYTN-UHFFFAOYSA-N	412.511	3.759	10	20	HHCD	
Cc1cc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)ccc1[N+](=O)[O-]	734739412	AKJBGVFCCWFVSE-UHFFFAOYSA-N	403.441	3.720	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1	737133694	CTSGEUKFLJWQSB-UHFFFAOYSA-N	403.482	3.626	10	20	HHCD	
CN(CC(=O)N[C@@H](c1cccs1)C(C)(C)C)Cc1ccc(N2CCOCC2)cc1	738300630	ZCMCCOOPZACLOY-QFIPXVFZSA-N	415.603	3.920	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(Cl)c1	740848161	NTTOYZAAXNDORD-SJLPKXTDSA-N	408.951	3.833	10	20	HHCD	
Cc1nc(SCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sc1C	741855800	PUSFKXQFSVTTKK-STQMWFEESA-N	423.579	3.921	10	20	HHCD	
COc1cccc(F)c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	742245531	KAUZPTLRALBVDK-UHFFFAOYSA-N	412.383	3.620	10	20	HHCD	
CCn1nc(C)c(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C	743593261	ZYSOJKJIGKKWLH-MRXNPFEDSA-N	421.492	3.589	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc2c1O[C@@H](C)C(=O)N2	743807475	FJEBYRPHPQWROJ-NSHDSACASA-N	419.275	3.536	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1F	745787380	YOXRPTGOMLDQAB-UHFFFAOYSA-N	416.453	3.553	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](c3ncc(C)s3)C3CC3)CC2)cc1	745866406	XMKIVCYLFOELEC-LJQANCHMSA-N	400.548	3.833	10	20	HHCD	
Cc1ccc([C@H](O)CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	745904933	VPFMRNKSGIRKQN-FXAWDEMLSA-N	419.472	3.598	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cn1C	745994432	DLKBGBICTHNYEI-UHFFFAOYSA-N	419.528	3.859	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)COc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1	747214282	XUXMFPICLYKUEG-LJQANCHMSA-N	400.425	3.542	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cccc(-c2nccs2)c1	749730756	UTOMSKCDXNSMET-UHFFFAOYSA-N	404.542	3.504	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1cnn(C2CCOCC2)c1	749738343	UTAYBGYBZIJTAV-UHFFFAOYSA-N	424.935	3.812	10	20	HHCD	
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)c1	751931491	QKDFNROTOSFWRH-AWEZNQCLSA-N	423.494	3.703	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCc3c(O)ncnc3C2)cc1	752784421	QKTSLIUFCNFZNY-UHFFFAOYSA-N	402.458	3.862	10	20	HHCD	
COCCN(C)CCOc1cccc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)c1	756539046	HDPGCGOPCWNNNF-UZLBHIALSA-N	402.510	3.826	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2ccc(O)cc2)cc1	757445149	HDZBLBJDAKWZTD-HXUWFJFHSA-N	400.544	3.758	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cc(C)cc(F)c3)CC2)cc(OC)c1OC	759995231	UHYJHAAFHOIXED-UHFFFAOYSA-N	403.454	3.514	10	20	HHCD	
COCCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cc1	760017505	PMTAUHDGJRAIDF-LJQANCHMSA-N	416.587	3.948	10	20	HHCD	
COc1cc(Cl)cc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1O	761193547	HNXKKONYTHPFLK-UHFFFAOYSA-N	413.276	3.805	10	20	HHCD	
COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	765838458	IXBHNIRIDOHFOP-HNNXBMFYSA-N	402.800	3.971	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(N2CCCCC2)c(F)c1	765932637	UJBYSWMWEYKVSA-HKUYNNGSSA-N	410.537	3.844	10	20	HHCD	
CN(Cc1ccc(OCCN2CCCC2)cc1)Cc1ccc(N2CCOCC2)cc1	768207290	APIWLSHVPJYLEL-UHFFFAOYSA-N	409.574	3.630	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)COc1ccc(C=O)cc1Br	769291875	NADQVORWHZBWTR-UHFFFAOYSA-N	406.276	3.785	10	20	HHCD	
OCCN(Cc1cnn(Cc2ccccc2)c1)Cc1cc(Cl)cc(Cl)c1O	769402490	YLZSKSZLRWPFFS-UHFFFAOYSA-N	406.313	3.938	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1CCCNCc1ccc(N2CCN(C)CC2)cc1	771824983	UOTAGMMJAJUCHL-UHFFFAOYSA-N	403.574	3.655	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1)c1ccc(N(C)C)cc1	773856088	IWESBRYMMPTHEC-INIZCTEOSA-N	404.470	3.756	10	20	HHCD	
CC[C@H](NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc(Br)ccc1O	775521881	CXMQRGKEAMAHHI-NLWGTHIKSA-N	411.384	3.963	10	20	HHCD	
O=C(c1cccc(O)c1O)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F	776666497	NCOPFFPXZJSKJF-MRXNPFEDSA-N	408.420	3.624	10	20	HHCD	
Cn1cc([C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)c2cccc(F)c2)cn1	779023383	RDLZOOGDKWAORA-QHCPKHFHSA-N	412.484	3.539	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1F	779340764	DGOLEZLEZWPWCY-UHFFFAOYSA-N	413.419	3.654	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccnc2OCC(F)F)C2CCCCC2)cc1	784058428	UQPOGENKGWTAPB-UHFFFAOYSA-N	418.444	3.612	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1cc(F)cc(Br)c1)c1ccc(N(C)C)cc1	784352560	VPXSUCPRWLKTLZ-SCLBCKFNSA-N	411.315	3.745	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3nccc(Oc4ccccc4)n3)cc2)C1	788532264	PBRVUOHJFBPLPT-SFHVURJKSA-N	403.486	3.583	10	20	HHCD	
CC(C)c1ccc(CCCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	788910947	IRBQLPNEPQTNRY-UHFFFAOYSA-N	407.558	3.775	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)s1	788929412	HNBAQJFJVGBLGR-MRXNPFEDSA-N	405.951	3.885	10	20	HHCD	
COc1cc(O)c(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1OC	789483185	UTWGMCGEAKGYCJ-UHFFFAOYSA-N	423.263	3.638	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)c1ccc(N(C)C)cc1	789743962	LZNQMJNJFLHRHI-OAOQPFQOSA-N	412.559	3.929	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1OC	790478569	PSJLLTHTDZNMBI-UHFFFAOYSA-N	400.865	3.875	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H](c1cccnc1)c1ncc[nH]1	794795752	ITSVFXFDNJXDNG-LJQANCHMSA-N	417.435	3.539	10	20	HHCD	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C2CC2)o1	803686678	OPROCGWRMWUQIR-IERDGZPVSA-N	421.541	3.593	10	20	HHCD	
O=C(NC[C@@H]1CCOc2ccccc21)C(=O)N(Cc1ccccc1O)C1CCCCC1	804082062	LFERARROZMPCQC-SFHVURJKSA-N	422.525	3.736	10	20	HHCD	
C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)CNC(=O)OC(C)(C)C	805224958	GBEJMZJZKHYUHP-SNVBAGLBSA-N	406.310	3.659	10	20	HHCD	
C[C@H]1[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCN1C(=O)OC(C)(C)C	807840756	JABMJCSPXMHASE-GXFFZTMASA-N	403.306	3.961	10	20	HHCD	
C[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1	809585221	FGSVNNXERVSOPO-GJZUVCINSA-N	418.629	3.707	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)C2CC2)cc1	914438257	OFKHCJZDWMEXNW-UHFFFAOYSA-N	424.526	3.788	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)Cc3c(C)nc(C)nc3O)c2C)c1	915464394	XGFNMXQZPNGWCK-UHFFFAOYSA-N	421.497	3.792	10	20	HHCD	
CCc1cccc(CC)c1NC(=S)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	917595580	AIJIWKOZYVBYEZ-FQEVSTJZSA-N	424.614	4.000	10	20	HHCD	
COc1ccc(F)cc1-c1csc(NS(=O)(=O)c2ccc(C(C)=O)cc2)n1	917897627	AOSXZLQSDKAWCX-UHFFFAOYSA-N	406.460	3.961	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	917918820	SHOYXCNAAVXZCY-OKILXGFUSA-N	412.914	3.571	10	20	HHCD	
CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccc(OC)c(OC)c1	921060918	DVNRGNPRKLLKPN-UHFFFAOYSA-N	408.502	3.971	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1	921281193	ZJMYVTSMHRVEBK-UHFFFAOYSA-N	405.458	3.651	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCn3c(nnc3C3CCCC3)C2)cc1F	1346445847	QNEAYPFZABKPHT-UHFFFAOYSA-N	414.529	3.646	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(SC(F)F)cc3)ccc21	60750273	RHLQIIIYZNDPJU-UHFFFAOYSA-N	405.470	3.639	10	20	HHCD	
COc1cccc(O)c1CNC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1	725850666	GDNKDNMETKINPH-SFHVURJKSA-N	410.436	3.583	10	20	HHCD	
COc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1[N+](=O)[O-]	726566257	LTVPGJYZORKCGG-UHFFFAOYSA-N	421.400	3.604	10	20	HHCD	
CN(C)Cc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726567264	OGYOFAATQHBBAE-UHFFFAOYSA-N	403.473	3.748	10	20	HHCD	
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C\c1ccc(N2CCOCC2)c(F)c1	727264367	PPEKFCPBHQAXNT-NTUHNPAUSA-N	403.797	3.717	10	20	HHCD	
CC(C)(C)c1noc(-c2ccccc2C(=O)NCc2ccc(N3CCOCC3)cc2)n1	727755933	KALUFAXWRWYTRY-UHFFFAOYSA-N	420.513	3.801	10	20	HHCD	
Cc1nc(C(=O)NCc2ccc(N(C)C)cc2)nn1-c1c(Cl)cccc1Cl	728235507	ZHCKXRIUAXMUOC-UHFFFAOYSA-N	404.301	3.879	10	20	HHCD	
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N(CC)CC)cc2)C1	728750276	WFTGVYABFRDMHS-QUCCMNQESA-N	402.583	3.759	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cccc(Cl)c3OC)cc2F)CC1	730133171	KDYNJPUBWFBPAS-UHFFFAOYSA-N	420.916	3.951	10	20	HHCD	
Cc1cc(C(=O)CSCCS(C)(=O)=O)c(C)n1-c1ccc(OC(F)F)cc1	730466230	HXGNESYVNLMVJM-UHFFFAOYSA-N	417.499	3.656	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731016080	DJILMFWDDOYQEI-SRCYJKJOSA-N	415.603	3.797	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)COc3cccc(NC(=O)C4CC4)c3)cc2)CC1	731016126	NRZSJZBURZUIJV-UHFFFAOYSA-N	421.541	3.967	10	20	HHCD	
CN(C)[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1c(F)cccc1F	734659228	ZVNGMGJAQAWXBD-HXUWFJFHSA-N	402.489	3.667	10	20	HHCD	
COC(=O)[C@@](C)(NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)C1CC1	736258533	UUKGPHJWPSBHFO-FQEVSTJZSA-N	419.319	3.928	10	20	HHCD	
C[C@@H]1CCCCN1[C@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743535010	NCGSOGRFDLMBBQ-KZNAEPCWSA-N	424.536	3.819	10	20	HHCD	
CC(C)N(C(=O)[C@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(C)C	744473613	HMENVZKTXCTITA-HNNXBMFYSA-N	407.466	3.653	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1	745409394	SAHMNQNTBOVIFR-KDURUIRLSA-N	404.599	3.560	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)ccc1C	745994834	QFFMUPVKGVLOGD-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1F	746865860	FLFUXOVLRJDUES-CQSZACIVSA-N	424.303	3.868	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CCSCC1	749816564	SQZVJPVAYFRDEY-KAMYIIQDSA-N	412.627	3.741	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1	750238148	NBHXEGUPNDAHCR-UHFFFAOYSA-N	423.922	3.660	10	20	HHCD	
CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3O)cc2)cc1	751234990	CUYJUYQARZWJNO-UHFFFAOYSA-N	410.495	3.838	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]nc1-c1cccc(Cl)c1	755199825	GYWBUJWATNLVRK-UHFFFAOYSA-N	414.868	3.636	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H](c1ccc(C)cc1)n1cncn1	755848695	QUQYIIYFXKCXBV-FGZHOGPDSA-N	406.534	3.520	10	20	HHCD	
Cc1cc(O)c(CNCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)cc1C	756044792	ILYYDCMSBFHFIU-UHFFFAOYSA-N	416.587	3.861	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)sc3Br)CC2)cc1F	760731608	KOIINPIJXLXOME-UHFFFAOYSA-N	413.312	3.929	10	20	HHCD	
COc1cc(N2CCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)cc(OC)c1OC	761220769	XOKCKKQICTUEMU-UHFFFAOYSA-N	412.530	3.748	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F	762229768	ZUXHVHJUPSGUOC-INIZCTEOSA-N	402.422	3.531	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC3CCN(C(=O)C(C)(C)C)CC3)sc2n1	762845738	PYPYXKBSKUKFMZ-UHFFFAOYSA-N	403.548	3.937	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1(c2ccc(F)cc2F)CCC1	763017860	WZQVGSZCUTVCQY-UHFFFAOYSA-N	419.447	3.819	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(Br)s2)cn1	764533054	DKVHNEDLBGNUOK-UHFFFAOYSA-N	413.322	3.590	10	20	HHCD	
COc1ccc(CC[C@@H](C)NC(=O)NCc2cccc(Br)c2O)cc1	764767762	NMWGYJONIPTSDE-CYBMUJFWSA-N	407.308	3.984	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCN(C4CCCCC4)C3=O)c2C)cc1	766275369	HCGPDYYGPURUGZ-QFIPXVFZSA-N	409.530	3.766	10	20	HHCD	
COc1cccc(S(C)(=O)=O)c1NNC(=S)Nc1c(C)cc(C)cc1Cl	767427832	XARRQXAQZYKVNP-UHFFFAOYSA-N	413.952	3.682	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)c2ncccc12	768016751	OHWKFMPGIJTKHM-UHFFFAOYSA-N	420.513	3.687	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCOC4(CCCC4)C3)cc2F)C[C@@H](C)O1	768523441	URPWKKHZMXMMBA-ZHALLVOQSA-N	419.541	3.730	10	20	HHCD	
Cc1cccc(-c2cncc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c2)c1	768674010	JYSHTTZPZDPOEF-UHFFFAOYSA-N	417.509	3.938	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cn1	769667199	PNXHKNUGLCEPCH-UHFFFAOYSA-N	421.525	3.514	10	20	HHCD	
COC[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)c(F)c1	774370588	MMJKQRXEUCUJPD-XLIONFOSSA-N	420.456	3.749	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[C@@H](C2OCCO2)C1	774381856	LLOUFDHPSHFSMY-MRXNPFEDSA-N	408.458	3.652	10	20	HHCD	
CC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccc(Cl)c(Cl)c1O	775491777	JHHJDFHAVTYNML-OAHLLOKOSA-N	403.331	3.848	10	20	HHCD	
CC[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(Cl)c(Cl)c1O	775523266	HVQDLIYGABRAIR-GWCFXTLKSA-N	424.371	3.636	10	20	HHCD	
CN(CC(=O)OC(C)(C)C)Cc1cc(Br)cc(Br)c1O	775668989	PUTFDVCKRCWQSB-UHFFFAOYSA-N	409.118	3.691	10	20	HHCD	
COCc1cccc(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	777654238	FKZJOLBKTVZANL-UHFFFAOYSA-N	404.457	3.762	10	20	HHCD	
COC(=O)c1ncsc1S(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1	777665777	QTTWSBUGAUGAEK-UHFFFAOYSA-N	421.934	3.569	10	20	HHCD	
COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	779603823	DLGWPSBBANMKPY-GOSISDBHSA-N	403.523	3.996	10	20	HHCD	
COCC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccco1	779979460	AQOGJDJJPVWJOW-FCEWJHQRSA-N	419.497	3.609	10	20	HHCD	
CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1	780407006	CFDYEPGEACEASM-QGZVFWFLSA-N	415.559	3.669	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2c(O)ccc3c2CCCC3)C1	780935217	GLQOYXLABUZLMG-MBSDFSHPSA-N	400.519	3.534	10	20	HHCD	
CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785421484	CTQPDVBORVXGPL-UHFFFAOYSA-N	421.463	3.825	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H](c1cccs1)C1CC1	785793655	YPLSLYNVOATTOP-NRFANRHFSA-N	411.571	3.964	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cc2)CC1	786661694	XOEWVTXECHTZTB-UHFFFAOYSA-N	406.313	3.592	10	20	HHCD	
CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	787871175	HRZZBADWUZJZSD-SFHVURJKSA-N	423.557	3.908	10	20	HHCD	
Cn1cc([C@@H]2CSCCN2Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1	792192438	OGPJRTUNSLQIJB-FQEVSTJZSA-N	401.536	3.609	10	20	HHCD	
COC(=O)c1nc([C@H]2CCCN2Cc2ccc(N3CCOCC3)c(F)c2)sc1C	793244194	VSUMUVOEHKZJNK-GOSISDBHSA-N	419.522	3.551	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2ccccc2C(N)=O)c(C)n1-c1cccc(F)c1	795809003	HXZDNORHCHAELL-UHFFFAOYSA-N	422.456	3.691	10	20	HHCD	
COCc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1	795854313	UBSGBLOYUZTVGN-UHFFFAOYSA-N	405.516	3.681	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1	800599106	KLMUKEMAAXNOHI-UHFFFAOYSA-N	416.783	3.584	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H](CCO)C3CCOCC3)cc2Cl)C1	800719230	IIXXRHZTEPWWKT-JXFKEZNVSA-N	423.985	3.553	10	20	HHCD	
Cc1cccnc1[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C(C)C	805869535	VCAUPFQFLGUAGA-NRFANRHFSA-N	410.562	3.707	10	20	HHCD	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806878679	VCWNZJYGQKODLA-ZIFCJYIRSA-N	422.520	3.525	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(-c2cnco2)c1	807511017	CMAKGHCITFPSGG-UHFFFAOYSA-N	406.225	3.609	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-c2cccnc2)cc1	808355988	RDQCLAPTWAXYNH-SFHVURJKSA-N	416.525	3.650	10	20	HHCD	
COc1cc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(OC)c1O	809618905	RQQCUNPEGPTYLK-KRWDZBQOSA-N	406.910	3.523	10	20	HHCD	
COc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(OC)c1O	809624183	JIXPYOQJABHVGG-HNNXBMFYSA-N	408.445	3.769	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ocnc2C2CC2)NC(=O)OC(C)(C)C)cc1	809697775	OBVXRBPYNUGHJV-KRWDZBQOSA-N	414.506	3.614	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ocnc2C2CC2)NC(=O)OC(C)(C)C)cc1	809697776	OBVXRBPYNUGHJV-QGZVFWFLSA-N	414.506	3.614	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCO1	812443786	XVRBYAPTSDXYTC-NRFANRHFSA-N	422.529	3.811	10	20	HHCD	
Cc1ccc(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)c(O)c1O	813866874	KKXJPLJDMZMRHU-OAHLLOKOSA-N	417.811	3.668	10	20	HHCD	
CCNC(=O)[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C(C)C	814389465	JCRDJMSOXSOMNR-KXBFYZLASA-N	408.974	3.536	10	20	HHCD	
C[C@H](NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	862029146	SHUAHWNZVAELCE-ROUUACIJSA-N	415.965	3.874	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1	913039073	BOXBCGJMLMYGEU-UHFFFAOYSA-N	402.542	3.982	10	20	HHCD	
COc1ccc(OC(F)F)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	915685587	AOOOCYUSLFTFQL-UHFFFAOYSA-N	421.444	3.797	10	20	HHCD	
Cc1cc(CCNC(=O)NC2CCN(C(=O)C(C)(C)C)CC2)c(C)n1-c1ccccc1	916221068	MRZCXDYHQTZLNV-UHFFFAOYSA-N	424.589	3.973	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916631552	JEGHPDVYVKWRMX-UHFFFAOYSA-N	423.435	3.589	10	20	HHCD	
Cc1cc(C(=O)Oc2ccccc2C(=O)N2CCOCC2)c(C)n1-c1ccc(F)cc1	916879554	FYZLLUWXYYEZPQ-UHFFFAOYSA-N	422.456	3.925	10	20	HHCD	
CCC1CCC(N(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C2CC2)CC1	917065327	VGRRAIDKARDHBJ-UHFFFAOYSA-N	417.569	3.712	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2F)C[C@H](C)O1	917709354	GMTMLQGZUDIVPO-STQMWFEESA-N	421.856	3.931	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(Cl)nc4ccccc34)cc2)C1	917832182	MNMOTWXKQJJPFC-INIZCTEOSA-N	422.916	3.520	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1Cc1ccccc1	918444966	XHZCXMYINVRQLK-UHFFFAOYSA-N	404.466	3.589	10	20	HHCD	
Cc1ccc(Cl)c(OCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	919968743	UXLJITIOFWWWBG-UHFFFAOYSA-N	402.922	3.552	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2ccc(NC(C)=O)c(F)c2)n1	1116863860	QIXHWUDHAFBPQQ-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1nc(Cc2ccccc2)no1	1123642555	OJTPYHJCUJFTDN-UHFFFAOYSA-N	407.518	3.501	10	20	HHCD	
O=C(CCCNCc1ccc(N2CCCC2)cc1)N1CCN(c2ccccc2)CC1	1328925936	HTCLIMFEWTYSFJ-UHFFFAOYSA-N	406.574	3.505	10	20	HHCD	
Cc1csc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(O)c4)cc3)CCC2)c1	1788425522	YONXNEUNRKCJNB-UHFFFAOYSA-N	423.494	3.924	10	20	HHCD	
COc1ccc(N(CC2=Nc3ccccc3S(=O)(=O)N2)Cc2ccccc2)cc1	110629453	FDYGSTMHCBZCMB-UHFFFAOYSA-N	407.495	3.724	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](c2ccccc2)O1	149610867	MHDAYRLDMBJEKY-XMSQKQJNSA-N	411.571	3.911	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)n(C)c2ccccc12	472783478	GDDUAJMSAZWDAN-UHFFFAOYSA-N	418.541	3.728	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	725730605	ZBABUYHMXUAUHH-SFHVURJKSA-N	412.534	3.866	10	20	HHCD	
O=C(Cc1noc2ccccc12)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565167	DLYRGLTVXSDPOC-UHFFFAOYSA-N	401.413	3.757	10	20	HHCD	
CCNC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(C)c1	726694698	AUOLKFSQPJYYAA-UHFFFAOYSA-N	410.518	3.544	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4ccccc4c3)CC2)cc1	726726467	RNCVRDCVQFMZPD-UHFFFAOYSA-N	403.482	3.572	10	20	HHCD	
CCOc1ccc(OCC)c(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1	726901594	HNHZUYALOKDAPM-UHFFFAOYSA-N	415.559	3.807	10	20	HHCD	
O=C1/C(=C\c2cc(Cl)c3c(c2)OCO3)SC(=S)N1CCc1cccnc1	727863885	LDKAGERUUNLBME-OVCLIPMQSA-N	404.900	3.908	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(c2ccc(F)c(F)c2)CC1	729226413	GOZRGRDNMZDEKU-UHFFFAOYSA-N	415.484	3.891	10	20	HHCD	
COc1cc2c(cc1OC)CN(C(=O)CN(Cc1ccccc1O)C1CCCC1)CC2	731846092	QZDIZWNGLOTPKB-UHFFFAOYSA-N	424.541	3.739	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCOC[C@H]2CCCO2)cc1	732114625	JBWYPMWUXXIAEM-HSZRJFAPSA-N	412.530	3.880	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)N1CCO[C@@H](c2ccc(F)cc2)C1	732204638	PXNCZYOQHAVTRD-HSZRJFAPSA-N	412.505	3.876	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1C	741136113	FBJYTDGHKHLWDO-UHFFFAOYSA-N	402.516	3.963	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)cc2F)CC1	741564616	XCEFEIQHDFSLFY-ROUUACIJSA-N	417.475	3.666	10	20	HHCD	
NS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(N=Nc2ccccc2)cc1	741650215	YQTOEOXODNPLCI-UHFFFAOYSA-N	416.484	3.550	10	20	HHCD	
Cc1ccc(Br)cc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1	742078214	BKUMINQWXCEVPX-UHFFFAOYSA-N	416.319	3.712	10	20	HHCD	
COc1ccc(N2CCN(Cn3[nH]c(-c4cc(F)cc(F)c4)nc3=S)CC2)cc1	742144629	PZFNJUDOKAYRLH-UHFFFAOYSA-N	417.485	3.674	10	20	HHCD	
COc1ccc(N2CCN(CCNCc3ccc(CSC(F)F)o3)CC2)cc1	742700464	KQTGMDSJWRKMRM-UHFFFAOYSA-N	411.518	3.656	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccccc1CC(F)(F)F	743956887	YLOVBDHMOVEEAQ-UHFFFAOYSA-N	406.404	3.631	10	20	HHCD	
CN(Cc1nccs1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	746359169	MTTFBIMCTLGWEF-RAXLEYEMSA-N	423.610	3.845	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(OCc2ccccc2)nc1	751307005	SXBCOMWOCVWPGJ-UHFFFAOYSA-N	417.509	3.769	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4ccc(Cl)cc4n3)cc2)C1	752296160	MJUWMJPPMZUSHC-QGZVFWFLSA-N	422.916	3.520	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccccc1OCc1ccccc1	753644418	MITNZFDZEXIDBP-KRWDZBQOSA-N	407.466	3.803	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)CC2)cc1F	753932738	UJLMXIJLNWRNGN-FGZHOGPDSA-N	413.493	3.586	10	20	HHCD	
Cc1cnc(C(C)(C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1	754702396	RLLOTMRLYSSNCA-UHFFFAOYSA-N	419.506	3.690	10	20	HHCD	
C[C@H](Nc1ccc(N2CC[C@H](N(C)C)C2)cn1)c1cc(Br)ccc1O	756858466	UYBACFUPHTZURQ-BBRMVZONSA-N	405.340	3.863	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1ccccc1CN1CCSCC1	758596156	QBYFGEOCVRDPGR-UHFFFAOYSA-N	408.618	3.996	10	20	HHCD	
CCNc1nc(C)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	759268747	DOUXKXUXZNHGDI-ZDUSSCGKSA-N	410.490	3.884	10	20	HHCD	
COc1cc(N2CCN([C@H](C)c3ncc(C(C)(C)C)o3)CC2)cc(OC)c1OC	759887087	TVUXJIHEHPMZGG-OAHLLOKOSA-N	403.523	3.881	10	20	HHCD	
Cc1cc(C(=O)NCCC2(C)OCCO2)c(C)n1-c1ccccc1Br	760112291	KALMBUIKIFWAGA-UHFFFAOYSA-N	407.308	3.740	10	20	HHCD	
Cc1ccc(OC(F)F)c(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	761730171	ICYBGAZLQLRLGD-UHFFFAOYSA-N	410.804	3.920	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(I)ccc2C)c1	764322201	NNAFDONWKAEOFE-NSHDSACASA-N	411.239	3.805	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cccc(Br)n1	765344746	PWBQKWWRXZLPRH-UHFFFAOYSA-N	401.058	3.634	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCOC2(CCC2)C1	766036384	LSKJYWDRRUWCDE-QINSGFPZSA-N	422.597	3.511	10	20	HHCD	
C[C@H](CCCOc1ccccc1C(N)=O)NCc1ccc(N2CCSCC2)cc1	768677025	HHGUEJQGTACKRE-GOSISDBHSA-N	413.587	3.676	10	20	HHCD	
O=C(Nc1cccc(F)c1)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	769232227	IQAKKQDUJDQBHY-UHFFFAOYSA-N	415.484	3.652	10	20	HHCD	
COc1cc(Br)cc(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O	769332445	FHRYJLSEVOUHIZ-AWEZNQCLSA-N	415.328	3.605	10	20	HHCD	
CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	769472131	FEJCLRYVXZBAPJ-UHFFFAOYSA-N	417.531	3.621	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(COC(C)(C)C)on3)cc2F)C[C@@H](C)O1	769866222	VPCCIWOJFXONNN-HUUCEWRRSA-N	419.497	3.672	10	20	HHCD	
O[C@H](C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1	770327137	LLGILZUTVOAGRM-NZQKXSOJSA-N	402.485	3.890	10	20	HHCD	
Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)c2cnn(C)c2)c(C)n1-c1ccccn1	775237231	VIUHCAQZVXGSTA-JOCHJYFZSA-N	403.461	3.881	10	20	HHCD	
CO[C@@H]1CCC[C@@H]1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	775518743	XZHALDKCSUDPKA-ZTUFEDMWSA-N	424.613	3.661	10	20	HHCD	
CCOC(=O)N1CCC([C@H](C)NC(=O)NCc2ccc(N(CC)CC)cc2)CC1	777453056	KTRNVANBMQMERC-KRWDZBQOSA-N	404.555	3.589	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc(-c2ccccc2)s1	777825920	BLQUBTGWHZHODO-UHFFFAOYSA-N	416.886	3.985	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H](COc2ccccc2)C1	779982497	ZIFXRCFNBDGIFE-FQEVSTJZSA-N	411.571	3.850	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(N)cc1	783483508	ZGGXUJOYIOSFJN-MRXNPFEDSA-N	417.465	3.773	10	20	HHCD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1	787328625	RUZNRFWFEXCLDX-UWJYYQICSA-N	409.530	3.668	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1Cl	789370825	VBRAFWFENZEZAU-UHFFFAOYSA-N	415.921	3.936	10	20	HHCD	
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	789445896	XTNLBXJLCCXGPB-UHFFFAOYSA-N	416.453	3.634	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)cn1	790107025	ALSXYCRGHDSDCY-XNTDXEJSSA-N	405.570	3.627	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2cc(OC)c(OC)cc2Cl)cc1	790349442	WDJJAWVBSKTAOI-UHFFFAOYSA-N	412.939	3.682	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3cccc(-c4nccs4)c3)CC2)cc1	790444963	XHBTXCNVHVTDIT-UHFFFAOYSA-N	409.511	3.546	10	20	HHCD	
CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)s1	797140903	OJFCBGGXQWZLCX-RDBSUJKOSA-N	402.564	3.999	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(CCCc3ccccc3)cc2)c(O)c1	797390615	JTEGVEDTKZILNW-UHFFFAOYSA-N	418.493	3.831	10	20	HHCD	
COCC1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCC1	800052750	HXTPIWDLEUWGGC-RVDMUPIBSA-N	424.613	3.662	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)Cc3ccccc3)cc2Cl)C1	800343708	BHHWKHMMYGHJLA-QGZVFWFLSA-N	413.949	3.551	10	20	HHCD	
Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	802551938	ZWRRXDQPDPRLRO-UHFFFAOYSA-N	420.435	3.605	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2cccnc2)cc1)C1CCCCC1	803677275	LBDVZJZPKFRASE-HSZRJFAPSA-N	420.557	3.830	10	20	HHCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cc(Br)cc2c1OCC2	808115371	ZPTMQHPTNGFVAK-UHFFFAOYSA-N	422.659	3.683	10	20	HHCD	
Cc1cccc2cc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)sc12	808287922	QQUJHNHNJLIEPD-GOSISDBHSA-N	407.539	3.841	10	20	HHCD	
O=C(NCc1ccc(C2CC2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O	808902770	WXWAZUMKOWETTB-UHFFFAOYSA-N	404.466	3.708	10	20	HHCD	
CC[C@H](Nc1ccc(N2CCN(C(=O)OC)CC2)nc1)c1cccc(Cl)c1O	815655431	RTXNKWIJMDYVGP-KRWDZBQOSA-N	404.898	3.892	10	20	HHCD	
CCc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1	916587550	KGAQMFCAKJGFLX-UHFFFAOYSA-N	420.557	3.517	10	20	HHCD	
Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c1C	917913552	LCBWBVONICZJIP-UHFFFAOYSA-N	404.601	3.952	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C2CC2)cc1	918065625	WCGOOCHZCPPCDJ-UHFFFAOYSA-N	420.557	3.863	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1	918098797	FHFCVJCDLKVION-DEOSSOPVSA-N	424.589	3.714	10	20	HHCD	
Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N(C)Cc1ccccc1O	918443844	HKEKMTCYMCHMAP-UHFFFAOYSA-N	411.683	3.714	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3cccc4c3COC4=O)n2)cc1	918740144	OLZWFGNEKKJPOV-UHFFFAOYSA-N	400.481	3.844	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)c3ccoc3)c2C)cc1C	919482630	IFWZKFYLFFUPLL-KRWDZBQOSA-N	422.481	3.848	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H](c2ccco2)N(C)C)cc1	919655667	WHNMHEDKFRWPJC-NRFANRHFSA-N	410.518	3.953	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccnc(Cc4ccccc4)n3)CC2)cc1	1116542672	OVSFQWQBXZSBPY-UHFFFAOYSA-N	417.513	3.867	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)Oc3ccccc3)cc2F)C[C@H](C)O1	1318798012	UUFPSPKREXSUEF-IRXDYDNUSA-N	400.494	3.913	10	20	HHCD	
CC(C)c1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)[nH]1	1318844574	HSFNFANNZMPGCE-QGZVFWFLSA-N	415.538	3.595	10	20	HHCD	
C/C(=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1351550322	YQIYLDZTYSMJGP-NSBLWWODSA-N	422.573	3.820	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cncs3)C2)cc1	1842534136	OXWBYVKYAQMWBX-UHFFFAOYSA-N	420.538	3.681	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2C)no1	303658367	ANDOWJQRHVFQKU-UHFFFAOYSA-N	422.529	3.529	10	20	HHCD	
COc1ccc(-c2noc(CCCC(=O)N3CCOc4cc(N(C)C)ccc43)n2)cc1	437024109	XWEKBZLBHOICAZ-UHFFFAOYSA-N	422.485	3.560	10	20	HHCD	
CCOC(=O)CSc1cncc(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)n1	440715856	XMQJNLNMTQRFGP-UHFFFAOYSA-N	424.526	3.915	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](COCC(C)C)c3ccco3)CC2)cc1	725868088	OSGMSSQTQPZYCF-OAQYLSRUSA-N	415.534	3.924	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	726287314	FCZDXNSZURFCHL-UHFFFAOYSA-N	419.481	3.753	10	20	HHCD	
O=C(NCc1ccccc1[N+](=O)[O-])NC1CCN(c2ccc(OC(F)F)cc2)CC1	726610691	MFANYXVIZBRGHI-UHFFFAOYSA-N	420.416	3.664	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1	729044094	CCLKXSOFDNMFGB-OAHLLOKOSA-N	408.502	3.823	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H]1CN1CCCC1	729611804	QFYRGWVVAKKRMG-LJQANCHMSA-N	422.520	3.527	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)C3CC3)cc2F)CC1	730116915	SHVNLPCOJXXOTG-QHCPKHFHSA-N	410.537	3.918	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc2)CC1	731016683	OBSXSTOZQDPCGC-UHFFFAOYSA-N	405.498	3.506	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)cc1F	731403480	LRDQLIBCBTWMOW-HXUWFJFHSA-N	414.525	3.691	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(OC(F)F)c2)cc1F	731408906	ZSOXLUKHWXBNNE-UHFFFAOYSA-N	409.408	3.528	10	20	HHCD	
COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C)n(-c2ccccn2)c1C	732134096	MWUKUVHCPVJZAQ-UHFFFAOYSA-N	407.470	3.507	10	20	HHCD	
COc1ccc2c(c1)CCCN2C(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1	733126642	CDBYNILWSGHCBW-PXLXIMEGSA-N	413.477	3.841	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccc(F)cc1Cl	733353886	SXZXBROBJUOVPG-UHFFFAOYSA-N	405.901	3.700	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)CSc1nncn1-c1cccc(Cl)c1	734467809	FXNKVOGUTLMVJI-UHFFFAOYSA-N	415.950	3.704	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CN[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1	740743704	ZBOYZFPKICINRI-NRFANRHFSA-N	421.463	3.673	10	20	HHCD	
COC(=O)CC(C)(C)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	741218828	TXXVQOOKWJZUQF-UHFFFAOYSA-N	407.308	3.928	10	20	HHCD	
COc1cccc(Oc2ncccc2CNC(=O)NCc2cc(OC)ccc2O)c1	741414358	YKBRAILGPIFXAJ-UHFFFAOYSA-N	409.442	3.596	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(F)cc1F	742333941	AOSCLRMEACQMTQ-ZDUSSCGKSA-N	418.412	3.514	10	20	HHCD	
CCOC(=O)c1cnc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(Cl)c1	746147877	JGUFHCHSHOCESI-UHFFFAOYSA-N	401.894	3.832	10	20	HHCD	
O=C(c1ccc(N=c2cc[nH]cc2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	747934809	PFIRUXVNYAFEID-QFIPXVFZSA-N	403.482	3.774	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1	750323634	TXROTSNCKBURPD-UHFFFAOYSA-N	414.469	3.610	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc2nc(O)oc12	752015230	KHBXSMMLUPMTTM-LBPRGKRZSA-N	403.385	3.534	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3[C@H]3CCCCC3=O)c2C)cc1	752904022	DUIYOTIKXGGALR-IFMALSPDSA-N	410.514	3.703	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1F	753738173	MHUBWWIQXWHZKE-CQSZACIVSA-N	419.478	3.572	10	20	HHCD	
CCS(=O)(=O)NCCCSc1ncc(-c2ccccc2)n1Cc1ccco1	753754109	OPVPMFGLHUWCLN-UHFFFAOYSA-N	405.545	3.613	10	20	HHCD	
COc1cc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c(O)c(C(C)(C)C)c1	754723476	LPYLNVFBLMGERG-UHFFFAOYSA-N	400.494	3.795	10	20	HHCD	
C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1cc(Br)cc(F)c1O	756381950	OUJVRGOGRLUNSF-GFCCVEGCSA-N	405.271	3.784	10	20	HHCD	
COc1cc([C@H](C)N[C@@H](C)c2ccc(Br)cc2O)ccc1OCCO	756462096	YVWZZRZXCNGRHP-STQMWFEESA-N	410.308	3.946	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)cc(Cl)c1O	756711602	LMLKTQHNQOZCBH-RDDDGLTNSA-N	415.637	3.622	10	20	HHCD	
CCc1cc(N2CCC[C@@H](N[C@@H](C)c3cc(Br)c(F)cc3O)C2)ncn1	756711746	NESZMDDZHCODAT-GXTWGEPZSA-N	423.330	3.966	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccc(N2CCCCC2)cc1	759693187	TYIDWTSRPRFNPR-SFHVURJKSA-N	409.530	3.907	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CC[C@H](C)[S@@](=O)CC3)c2C)c1	759867100	INUIBLGYRRNGEC-OQRWROFFSA-N	404.601	3.842	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O	760858424	DQZDPRQMFDAJJF-UHFFFAOYSA-N	416.433	3.704	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc(OC(F)(F)F)cc1	761029555	DAHJWXZOHZHCNB-UHFFFAOYSA-N	400.740	3.913	10	20	HHCD	
COc1cc(OC)cc([C@@H](NCc2cc(Cl)cc(OC)c2O)c2nccn2C)c1	761215382	KZGHGOAZKHUFQP-LJQANCHMSA-N	417.893	3.684	10	20	HHCD	
CCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C12CCC2	764354375	OPFBWSBAHFOUNQ-VQTJNVASSA-N	403.592	3.729	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2sccc2Br)SC1=S	764892776	ZUNFZDYBOQUAMR-JXMROGBWSA-N	406.348	3.665	10	20	HHCD	
CC(=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	764909083	MLMJNAVLQYMWKH-UHFFFAOYSA-N	406.404	3.675	10	20	HHCD	
Cc1c([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cnn1-c1ccccc1	765256683	VTYBVLPTNLAWFE-WIYYLYMNSA-N	417.557	3.733	10	20	HHCD	
COc1cc(Br)cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1	766486708	RRXZSTNVTLHEAA-UHFFFAOYSA-N	420.307	3.616	10	20	HHCD	
O=C(Nc1ccccc1O)C1CCN(Cc2cccc(Br)c2O)CC1	768213899	VUPLWQGTBJMQEJ-UHFFFAOYSA-N	405.292	3.711	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@H]2C(=O)OCc2ccccc2)c1O	768237329	OUYOXPRECZBEGX-KRWDZBQOSA-N	420.303	3.871	10	20	HHCD	
CCOc1ccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(O)c1	768306281	BKPLNCXWVKZGMF-UHFFFAOYSA-N	408.420	3.768	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)Nc1cc(C(F)F)ccc1Cl	768726485	CSFYCENNQBFECT-UHFFFAOYSA-N	405.879	3.971	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1F	768936486	LVCPPMBDMLKLIL-UHFFFAOYSA-N	403.473	3.922	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)/C(=C/c1ccco1)NC(=O)c1ccccc1	769563465	HLPMWXUEXKUBNM-JCMHNJIXSA-N	416.477	3.951	10	20	HHCD	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C	772603130	OSNOVCWIRVQSRG-VQIMIIECSA-N	416.566	3.656	10	20	HHCD	
COc1cccc(-c2nc(COC(=O)/C=C\c3ccc(O)c(O)c3)cs2)c1OC	772775150	LUSOOEUCAZVIBB-CLFYSBASSA-N	413.451	3.995	10	20	HHCD	
Cc1nn(-c2ccccc2)c2nc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)ccc12	773740894	USIGEXFSEQYQHG-AWEZNQCLSA-N	402.454	3.501	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F	773747595	BNBNHVCYNYNNMZ-LBPRGKRZSA-N	405.376	3.663	10	20	HHCD	
CCOC1CC(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)(N2CCOCC2)C1	774475917	JTROOXXHNAXNAG-CDJWAVJASA-N	403.350	3.620	10	20	HHCD	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1	784106235	IJOXAHFYMVQCEH-UHFFFAOYSA-N	410.474	3.956	10	20	HHCD	
O=C(OCc1ccnc(Cl)c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785408802	ZCTILNJRRJNVMU-UHFFFAOYSA-N	424.887	3.660	10	20	HHCD	
CCc1ccc([C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C(C)C)cc1	785492493	BXPFLXDDNZKVDX-HSZRJFAPSA-N	405.542	3.755	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(C(F)(F)F)c1O	788751592	RKQOPYSYEGERDK-CYBMUJFWSA-N	414.449	3.802	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(OCCOC(C)C)c1	788864466	ZIWMIRSVYOTTOO-UHFFFAOYSA-N	400.519	3.803	10	20	HHCD	
COc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc(OC)c1O	789892508	QWPAWLMNVXMUDQ-UHFFFAOYSA-N	424.497	3.840	10	20	HHCD	
COc1cccc(Cl)c1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	790250430	ZRODKQSJEIXXOV-OAHLLOKOSA-N	403.910	3.746	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C/c3cscc3Br)SC2=S)CC1	794681095	RMSWHYVWYYPXMF-SDQBBNPISA-N	403.392	3.806	10	20	HHCD	
COc1ccc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)c1OC	796700322	DQUCKSZPIVJYSO-HKUYNNGSSA-N	411.546	3.565	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Br)c1	797448421	QZZGMGSPJZFGIX-VIFPVBQESA-N	420.712	3.856	10	20	HHCD	
O=C(NCCCSc1nccs1)N(CCc1ccccn1)Cc1cccnc1	797476434	SDWGEHUUQUQSME-UHFFFAOYSA-N	413.572	3.870	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c(=O)n1C	799982427	DLPBKXFDJGRBRH-OAHLLOKOSA-N	416.953	3.583	10	20	HHCD	
C[C@@H](CCNS(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1	801735463	VKCQJGYXOJBQIA-IBGZPJMESA-N	401.576	3.524	10	20	HHCD	
CCCN(C)[C@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccc(Cl)cc1	806810103	GDNHJSXCNOBGEJ-LJQANCHMSA-N	405.926	3.937	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)C2CC2)cc1	807504405	ACGWLTMWLYRKNX-PZJWPPBQSA-N	423.532	3.835	10	20	HHCD	
Cc1c([N+](=O)[O-])cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-]	807839073	HCXZNVHEVADERW-UHFFFAOYSA-N	400.174	3.754	10	20	HHCD	
Cc1nc(-c2noc(CCCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)co1	809507496	FSZYZNHQVUYMJP-JYRVWZFOSA-N	418.525	3.929	10	20	HHCD	
COc1ccc(-c2nsc(NC(=O)N[C@H](C)c3cc(OC)ccc3O)n2)cc1	809928228	MFMRSZQWBBHYFU-LLVKDONJSA-N	400.460	3.811	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F	810307002	UBUCPBJKJOEBLR-UHFFFAOYSA-N	421.444	3.969	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3ccncc3)c(C)c2)c1	815471180	YIFCUTMMAUJAAL-OAHLLOKOSA-N	405.454	3.587	10	20	HHCD	
CN1CCC[C@@]2(CCN(Cc3cc(Br)cc(Br)c3O)C2)C1	816642111	PRWVCPCETFCQOZ-MRXNPFEDSA-N	418.173	3.835	10	20	HHCD	
O=C1CCc2cc(-c3csc(NS(=O)(=O)c4cccnc4Cl)n3)ccc2N1	861703100	FXHAQAITIFCVFV-UHFFFAOYSA-N	420.903	3.544	10	20	HHCD	
Cc1cc(C(=O)NCc2ccccc2CN2CCCC2=O)c(C)n1-c1ccccn1	914847743	IZWQVPLJFPTWOF-UHFFFAOYSA-N	402.498	3.542	10	20	HHCD	
O=C(Nc1nnc(-c2ccco2)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916691622	ABRZTLDTVUGCGJ-AWEZNQCLSA-N	400.460	3.717	10	20	HHCD	
CC(C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	916712204	DMYDFEACRFDSCW-FQEVSTJZSA-N	411.502	3.744	10	20	HHCD	
CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1	917847499	IKFREAAYFGQQSE-UHFFFAOYSA-N	421.931	3.966	10	20	HHCD	
Cc1ccc(Br)cc1CNCc1ccc(N2CCN(C)CC2)c(F)c1	1328673326	QDSXFARSIIWTGT-UHFFFAOYSA-N	406.343	3.938	10	20	HHCD	
Cc1ccsc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1	1800715549	DPRCBXSTHKCZCO-BTTYYORXSA-N	420.918	3.687	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)n1Cc1ccco1	7105607	JIQIQBXZSBUPNQ-UHFFFAOYSA-N	423.513	3.628	10	20	HHCD	
CCC(=O)Nc1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	55531827	IOMPCYNFBSACBC-IYBDPMFKSA-N	413.493	3.718	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)cc1	59923257	KDJCKVWMFMVOEO-UHFFFAOYSA-N	413.481	3.648	10	20	HHCD	
Cc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)c(C)n1-c1ccc(F)cc1	105604105	VXYNIHROXHGDAH-UHFFFAOYSA-N	414.506	3.774	10	20	HHCD	
COc1ccc(N2CCC(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1	110463372	LISDDSJZHZKDMZ-UHFFFAOYSA-N	402.560	3.940	10	20	HHCD	
Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	149872379	NWZOKFVHLUSQOW-UHFFFAOYSA-N	405.539	3.779	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](c2ccccc2)c2ccco2)n(C)c2ccccc12	555768489	NZLYHAUNXMZBGU-JOCHJYFZSA-N	401.466	3.602	10	20	HHCD	
COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C(C)C)cc1F	725816001	VXTPBQZWCSLNNK-UHFFFAOYSA-N	417.872	3.922	10	20	HHCD	
Cc1cc(C(=O)Cn2c(-c3cnccn3)noc2=O)c(C)n1-c1ccc(C(C)C)cc1	726119591	SHWVNHPPYYTLIX-UHFFFAOYSA-N	417.469	3.707	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc4cc(OC)ccc4nc3C)CC2)cc1	726561314	MGZPTTZARMZMCG-UHFFFAOYSA-N	405.498	3.959	10	20	HHCD	
COc1cccc(N2CC[C@H](NC(=O)N(Cc3ccco3)Cc3ccccc3O)C2)c1	728219769	ZGIXNXOOWBFZDR-IBGZPJMESA-N	421.497	3.985	10	20	HHCD	
Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)c(C)n1-c1ccccn1	728524684	BFCVVIFGMYQPRZ-LJQANCHMSA-N	424.501	3.782	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(-c4nc(=O)o[nH]4)c3)c2C)cc1	729365162	JVJXPEXZVUHHRK-UHFFFAOYSA-N	404.426	3.698	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1O	730359223	IGDRZKHFFQSRLW-UHFFFAOYSA-N	411.285	3.580	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3nnc(Cc4ccc(F)cc4)s3)ccc21	730386423	SDYSPRKUECJWHQ-UHFFFAOYSA-N	411.506	3.972	10	20	HHCD	
CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731039144	WCLJQYZFQPZDGP-UHFFFAOYSA-N	415.559	3.668	10	20	HHCD	
O=C(NCCCSc1nccs1)/C(=C\c1cccnc1)NC(=O)c1ccccc1	733971724	CSNFWMOTMHWQIH-NBVRZTHBSA-N	424.551	3.608	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1	734070555	XCTCWEVYFASAES-OAHLLOKOSA-N	420.469	3.609	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)cc1	734454705	SXCFYXXGYCRLJX-UHFFFAOYSA-N	401.510	3.753	10	20	HHCD	
Cc1cc(Br)c(S(=O)(=O)NCc2ccc(N(C)C)cc2C)s1	742299075	SQOFNMVJNBKNSJ-UHFFFAOYSA-N	403.367	3.672	10	20	HHCD	
Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NCc1ccc(N2CCCCC2)cc1	742475440	NTDKMXXOTVRXBN-UHFFFAOYSA-N	405.546	3.743	10	20	HHCD	
O=C(COC(=O)c1cccc2cc[nH]c12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	745542978	CEFLTFJSGTYYJQ-UHFFFAOYSA-N	424.412	3.739	10	20	HHCD	
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)COC2	746538176	LNAGCEQDHYRJAQ-UHFFFAOYSA-N	412.397	3.532	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NOCc1ccc(C(F)(F)F)cc1	746806713	YAWVLXHJUPTERJ-UHFFFAOYSA-N	423.435	3.815	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1O	750817759	SXCVHSGUQVCKBW-UHFFFAOYSA-N	405.857	3.633	10	20	HHCD	
CCc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)[nH]c(C)c1C(C)=O	751405225	JPFBTGFXEUZKGV-HXUWFJFHSA-N	411.546	3.976	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nccn1CCCc1ccccc1	751612502	QGMAPNXQGJPCRY-UHFFFAOYSA-N	405.546	3.924	10	20	HHCD	
COc1cc(NC(=O)CNC(=O)c2sccc2-n2c(C)ccc2C)cc(OC)c1	752744126	UJNOMSBZEBFHFR-UHFFFAOYSA-N	413.499	3.541	10	20	HHCD	
C[C@@H](OC(=O)CCc1ccoc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	753495029	IWQVZXKPMRPTPZ-CQSZACIVSA-N	417.417	3.558	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCO[C@H](c2ccco2)C1	753941883	ZKWKPVHJHAHJAF-KXBFYZLASA-N	421.444	3.633	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)cc(C(F)(F)F)c1	755200993	PKESNNLTYOBKJS-UHFFFAOYSA-N	400.347	3.750	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)s1	756480638	SVCUDNQKRIHTRV-SWLSCSKDSA-N	412.552	3.961	10	20	HHCD	
O=C(CN1CC=C(C(F)(F)F)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O	757115979	AYEZMZPUYUGVSQ-UHFFFAOYSA-N	414.383	3.595	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3cccc(O)c3)cc2F)C[C@@H](C)O1	758426062	JMQQPIIWYGHHQF-GASCZTMLSA-N	404.507	3.553	10	20	HHCD	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	759023910	YXDMLILLRTXCKE-GOSISDBHSA-N	408.546	3.695	10	20	HHCD	
O=C([C@@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc2O1)N1CCCCC1	759777171	PFOPPCUQCMHEQV-JARZOMNASA-N	411.889	3.555	10	20	HHCD	
CO[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1Cl	763587856	JHBNJPKAUJOVPZ-FQEVSTJZSA-N	421.900	3.503	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3cccc(NC(C)=O)c3)CC2)cc1	764676174	OKAUBSJGLMKPRA-IBGZPJMESA-N	410.562	3.517	10	20	HHCD	
C[C@@H](N[C@H](c1ccccc1F)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764815992	SAJKWLCWASRUHX-OPAMFIHVSA-N	412.484	3.975	10	20	HHCD	
COc1ccc(N2CCCN(Cn3ncc(Br)c3C3CC3)CC2)cc1	764908935	FVKVXOVQCFECFX-UHFFFAOYSA-N	405.340	3.701	10	20	HHCD	
COc1cc(F)c([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OC	765299068	ZNOSNMDVQCVZNM-INIZCTEOSA-N	402.510	3.902	10	20	HHCD	
C[C@](O)(C(=O)NCc1cccc(Br)c1O)c1cccc(C(F)(F)F)c1	765751881	STVQNPMPHVMVDI-MRXNPFEDSA-N	418.209	3.697	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1Cc1ccc(F)cc1	766394130	WCEJUKABMVJIKN-UHFFFAOYSA-N	409.509	3.891	10	20	HHCD	
O=C(c1ccc(F)cc1F)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	769309823	FVZGKRQOKURKLO-UHFFFAOYSA-N	401.240	3.935	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	770840193	NGNJWKFJRLWRSF-DENIHFKCSA-N	412.917	3.962	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1	771193344	YIASNXKIAIDPJB-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
C[C@@H](NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(N(C)C)cc1	773132743	VRJBLLYYNJMESA-CQSZACIVSA-N	403.910	3.780	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccccc2I)c1O	775048231	IMIFKUIQWLMIEN-UHFFFAOYSA-N	400.172	3.526	10	20	HHCD	
CCn1cc([C@@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cn1	777300476	DQXNXFMSFREMGL-OXQOHEQNSA-N	401.555	3.886	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cccc(Br)c1	777828586	LTBDMNNHVCYLDY-UHFFFAOYSA-N	412.667	3.624	10	20	HHCD	
CSc1ccccc1S(=O)(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1	780715150	HFVITIPQKJHURI-UHFFFAOYSA-N	405.589	3.740	10	20	HHCD	
Cc1ccc(N2CCNC2=O)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	786261951	LBQOTFUQVYVNLI-UHFFFAOYSA-N	407.518	3.787	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3cccc(F)c3)cc2Cl)C1	786666884	QUZMONTYOZHPSO-OAHLLOKOSA-N	417.912	3.648	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(-c2ccco2)cc1F	787455510	UBYZQPNTWOVMLW-UHFFFAOYSA-N	407.445	3.941	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1O	792309776	SUZATEILDXTSPK-SWLSCSKDSA-N	409.255	3.658	10	20	HHCD	
Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccc(Cl)c1O	793610206	BZVYASLZSDHMIN-MRXNPFEDSA-N	406.914	3.573	10	20	HHCD	
COc1ccc(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)c(O)c1	794380943	GDMAYUAAPICNOM-UHFFFAOYSA-N	403.438	3.558	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(CC1CC1)C1CCC1	794390673	BNAIMYBQUHBAMT-UHFFFAOYSA-N	406.529	3.659	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c(F)cc1C	795544110	DPVXFIOYGXXNCP-UHFFFAOYSA-N	421.475	3.630	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@@](C)(CNCc2ccc(N3CCOCC3)cc2)C1	798275607	PZLKQKUGVBNWFC-QHCPKHFHSA-N	403.567	3.650	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)c1	799253517	UPJXKODOMVXHKF-MRVPVSSYSA-N	401.221	3.663	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	801024173	YQAWOKNUNRQSGG-QHCPKHFHSA-N	414.550	3.509	10	20	HHCD	
Cc1ccc(CN(C(=O)C(=O)NCCCSc2nccs2)C2CC2)cc1C	806281036	LMXFHBZBCRGLIY-UHFFFAOYSA-N	403.573	3.550	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O	808094482	QPYYVAVZSCSPEA-INIZCTEOSA-N	411.907	3.651	10	20	HHCD	
CCO[C@H](CCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)C(C)C	809138470	DEBXHLPXDRDXOG-OAQYLSRUSA-N	404.551	3.621	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc4nccnc4c3Br)cc2)CC1	809705258	QESCWWXDGZRUTB-UHFFFAOYSA-N	412.335	3.756	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)nc3)n2)cc1[N+](=O)[O-]	809724004	UJJKRZYJKYDFAT-UHFFFAOYSA-N	410.864	3.876	10	20	HHCD	
CN(C)c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cn1	811822670	LDUVXUMMPQSXOD-UHFFFAOYSA-N	400.485	3.818	10	20	HHCD	
COC(=O)C1(CS(=O)(=O)N(Cc2ccccc2O)C2CCCC2)CCCCC1	813673827	WQOLLFUFCVEKAM-UHFFFAOYSA-N	409.548	3.590	10	20	HHCD	
Cc1nc2c(cc1C(=O)NCCc1cc(C)n(-c3ccccc3)c1C)c(C)nn2C	914603769	ZRMHNOKGNWFHDI-UHFFFAOYSA-N	401.514	3.965	10	20	HHCD	
C[C@H]1CN(c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cn2)C[C@@H](C)O1	914866293	FLZGOHCVSCNVIM-HDICACEKSA-N	408.546	3.566	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1	915219199	KSNDFEIQCOAAQL-UHFFFAOYSA-N	419.440	3.556	10	20	HHCD	
Cc1nc2ccccc2n1CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	915906775	OSHUKTJMMFBVGW-HXUWFJFHSA-N	422.529	3.831	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1	916670711	GSIAMBCXDNXQSL-UHFFFAOYSA-N	409.578	3.915	10	20	HHCD	
CCC[C@@H](C)N1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1=O	917646020	WFFPDTPEXGKHJC-UYAOXDASSA-N	411.546	3.912	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1	918099037	IUBMGVFRHVNKQH-DEOSSOPVSA-N	424.589	3.666	10	20	HHCD	
O=C(NCCCSc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	918176810	YMAWIQUMLBAHSW-UHFFFAOYSA-N	417.550	3.768	10	20	HHCD	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	918222914	BEDMEABZJUDZJL-AWEZNQCLSA-N	407.436	3.843	10	20	HHCD	
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1320757285	WUIYXIZAKGJCIM-LJQANCHMSA-N	405.502	3.795	10	20	HHCD	
Cc1cc(-c2nnc(Cn3cnc4sccc4c3=O)o2)c(C)n1-c1ccccc1	1322151428	NJXSOYCVQJSPED-UHFFFAOYSA-N	403.467	3.964	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3c[nH]c(C(F)(F)F)c3)cc2)CC1	1327469275	SESDGDWJAWKSSX-UHFFFAOYSA-N	401.454	3.748	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(OC)c(C(=O)OC)c2)cc1	1337489738	LUDCGTXPQMDGIX-UHFFFAOYSA-N	413.518	3.670	10	20	HHCD	
O=C(CCC1CCC1)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788425237	ISBHXABHVNHODF-UHFFFAOYSA-N	409.486	3.821	10	20	HHCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(CN2CCOCC2)cc1	19429603	JENYAIHXQPGDRZ-UHFFFAOYSA-N	422.554	3.650	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)CN3CCCC3=O)n2)c(C)n1-c1ccc(F)cc1	115349295	AGRYHRVXJBICAS-UHFFFAOYSA-N	412.490	3.918	10	20	HHCD	
Nc1nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc2ccccc12	301894696	SWKILYQMLYSXRK-UHFFFAOYSA-N	403.408	3.680	10	20	HHCD	
Cc1ccc(Br)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	327264019	QTHQCTAUKBBOLY-UHFFFAOYSA-N	403.320	3.866	10	20	HHCD	
Cc1ccc(C(=O)N2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)cc1F	472232936	VTALCRZBMMLPJA-UHFFFAOYSA-N	422.504	3.602	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@H](c2cccc(F)c2)C1	727475869	CXUOYZMHPUAARD-NRFANRHFSA-N	415.534	3.662	10	20	HHCD	
CCCN(CC(=O)NC1CCN(Cc2ccccc2C)CC1)Cc1ccccc1O	727830637	FDJDVCZYKKRHSK-UHFFFAOYSA-N	409.574	3.693	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2nc(O)c3sccc3n2)cc1F	731363530	IICXCUDYVJTUEI-UHFFFAOYSA-N	417.510	3.724	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3ccc(F)cc3Cl)CC2)cc1	733352475	DPYGXUFXSBFFHQ-UHFFFAOYSA-N	405.901	3.998	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1	734526914	XMPSVRSRJDCQLS-FPOVZHCZSA-N	408.546	3.552	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCN(C4CCC(C)CC4)CC3)CC2)cc1	734667325	YBJBMSIIUHXDCB-UHFFFAOYSA-N	414.594	3.570	10	20	HHCD	
COC(=O)c1cc(Cl)cc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1	737009393	HPNUNTKAEUHMIZ-UHFFFAOYSA-N	417.893	3.879	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	740909817	KYLXZADWDBRQTF-SFHVURJKSA-N	412.484	3.667	10	20	HHCD	
CC(C)c1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n2ncnc2n1	742423866	YOKOEDCPFITAGG-CQSZACIVSA-N	402.449	3.930	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1c(C)cc(C)nc1OC	745799673	SJVXSJMBPVUFKT-UHFFFAOYSA-N	422.323	3.907	10	20	HHCD	
COc1cccc(CNS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)c1O	751309846	QXJFYCVOFCSMCA-UHFFFAOYSA-N	423.437	3.676	10	20	HHCD	
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1	751932668	WUODVHHSQCKMHD-CQSZACIVSA-N	423.494	3.703	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc2ccsc12)c1ccc(N2CCOCC2)cc1	752396554	SNJGAVGTKSNBHD-HNNXBMFYSA-N	409.511	3.554	10	20	HHCD	
Cc1cnc([C@H](C)CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	754161706	XKEJECQDGVCCLL-RBSFLKMASA-N	420.554	3.807	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c(Cl)cc1C(=O)O	755984996	LRBJAJKVZXMMGG-UHFFFAOYSA-N	413.879	3.985	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1[N+](=O)[O-]	756337382	WLKTZSBGDCVLJM-INIZCTEOSA-N	419.865	3.574	10	20	HHCD	
C[C@@H](NCCCCN1CCN(Cc2ccccc2)CC1)c1cc(F)cc(F)c1O	756429463	HIRLZRSFSGFYEO-GOSISDBHSA-N	403.517	3.919	10	20	HHCD	
C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(Br)ccc1O	756591289	FETUCZKDUMUHMY-KNBMTAEXSA-N	419.363	3.688	10	20	HHCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)[C@H](c1ccc(C)cc1)n1cncn1	756769071	JFGYHQRYMGUFDP-BUKVSMQUSA-N	408.502	3.798	10	20	HHCD	
CCc1c(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1CC(C)C	757904189	YFEQADAYMWMMMR-UHFFFAOYSA-N	417.529	3.523	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)CC2)cc(OC)c1OC	759219899	GFBBGKSHEAXJLK-FXAWDEMLSA-N	402.535	3.599	10	20	HHCD	
CCNc1nc(C)c(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1	759239810	ZYAFHFFOFQRVPK-UHFFFAOYSA-N	410.490	3.884	10	20	HHCD	
O=C(NCCCSc1nccs1)NC1CCN(CCc2ccccc2)CC1	759551846	VHJMVTAVXBUXEC-UHFFFAOYSA-N	404.605	3.632	10	20	HHCD	
Cc1cc(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2=O)c(C)n1-c1ccccn1	760487259	NZMBGKILCAZEOP-OAQYLSRUSA-N	403.482	3.837	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNCc3csc(Cl)c3Cl)cc2)CC1	762443251	YBVPBZGLXMYBBX-UHFFFAOYSA-N	405.372	3.580	10	20	HHCD	
CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl	765401496	FHHLMNMIEFHCBJ-SFHVURJKSA-N	415.965	3.876	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cccc(F)c4C3)cc2F)C[C@@H](C)O1	767198672	MLDKDQLCQRZXEP-IYBDPMFKSA-N	415.484	3.846	10	20	HHCD	
CCOc1c(CN2CCCN(c3ccc(OC)cc3)CC2)c(C)nn1CC(C)C	768999491	XXZKRGWEULXTIE-UHFFFAOYSA-N	400.567	3.967	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)nc(C(C)(C)C)nc1O	769298756	VSHCPHAGUMYOQB-UHFFFAOYSA-N	422.323	3.919	10	20	HHCD	
COc1cccc(CNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1O	769497931	FEBAXEUKVRNGBN-OAQYLSRUSA-N	420.465	3.685	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1	770354812	TXUFJQNWFXDJMH-XHDPSFHLSA-N	405.322	3.813	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1	772474597	MAHCMFJEEZSAGO-UHFFFAOYSA-N	420.538	3.896	10	20	HHCD	
CCC(=O)N1CC[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1	773221749	AYXQJBSSRROLBL-LJQANCHMSA-N	410.514	3.695	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)NCC2(c3ccc(F)cc3)CCCC2)c1	775373136	NHJZXUOTSHNTPX-MRXNPFEDSA-N	400.494	3.819	10	20	HHCD	
C[C@@H](NCC(=O)Nc1ccnn1Cc1ccccc1Cl)c1ccc(N(C)C)cc1	775835188	FYRUQVDUANKQIS-MRXNPFEDSA-N	411.937	3.940	10	20	HHCD	
COC(=O)[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(OC)cc1	779178105	IDYBTXDXVHNEDB-OAQYLSRUSA-N	413.474	3.598	10	20	HHCD	
CCOc1ccc(CN(CCCn2ccnc2)C(=O)/C=C\c2ccc(O)c(O)c2)cc1	779513081	RUXFIUDBODKXTK-XFFZJAGNSA-N	421.497	3.825	10	20	HHCD	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	780821673	SNRZSLQKCUWTGS-UKRRQHHQSA-N	417.447	3.659	10	20	HHCD	
CO[C@@H](C)c1nc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cs1	781987615	XMHPRRRHEIQWBZ-LBPRGKRZSA-N	407.447	3.983	10	20	HHCD	
CCc1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)cnn1-c1cccc(Cl)c1	782696157	BJSUERODUQTVAP-UHFFFAOYSA-N	400.818	3.539	10	20	HHCD	
Cc1ccncc1[C@H](C)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	783003122	XQZXNSYCOBYWJO-JKSUJKDBSA-N	413.477	3.843	10	20	HHCD	
O=C([C@H]1CC(c2c(F)cccc2F)=NO1)N(Cc1ccco1)Cc1ccccc1O	786332191	SQNDVLZBACOGON-HXUWFJFHSA-N	412.392	3.985	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1C(F)(F)F	788591839	VYQHSVBTZXWFJU-AWEZNQCLSA-N	413.827	3.854	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CC=CCC3)cc2Cl)C1	793820400	SLMUDXXMJROYQI-IAGOWNOFSA-N	403.954	3.665	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cnc1C	794017528	PTQNKVOOQLEXRH-UHFFFAOYSA-N	421.475	3.548	10	20	HHCD	
C[C@@H]([C@H]1OCCc2sccc21)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	794129203	XXXVSWVXSHBORR-BBATYDOGSA-N	406.891	3.574	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c(Br)c1	794682567	XIWWMSJTINPCES-MLPAPPSSSA-N	411.302	3.847	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)c3ncccc3Br)ccc21	796591148	HJLBVDYBRRWKQX-UHFFFAOYSA-N	407.223	3.872	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCC[S@](=O)C(C)(C)C)cc2Cl)C1	799930155	MYGLLPLJDBWJAS-QZXCRCNTSA-N	414.015	3.923	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C	801551761	RMQAIPRUXJPEPW-UHFFFAOYSA-N	421.545	3.973	10	20	HHCD	
CN(OCc1ccccc1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803677111	FZOSYFJBZKQXSU-UHFFFAOYSA-N	409.530	3.662	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c(O)c1	807251882	SWGZOHOWAOVAKR-QGZVFWFLSA-N	406.280	3.509	10	20	HHCD	
O=C(Nc1cccc2c1COC2=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	808905552	MFADXTPPGRYIHB-UHFFFAOYSA-N	417.412	3.749	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)cc2)CC1	809751365	DKWVOPOYJKWGQQ-QFIPXVFZSA-N	422.621	3.984	10	20	HHCD	
COc1cc(O)c(CN[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1OC	814171322	KFLQGEPCPXCJEN-INIZCTEOSA-N	406.523	3.821	10	20	HHCD	
CN(C)C(=O)COc1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	916687993	PRJAVZAIGFUDQB-UHFFFAOYSA-N	424.545	3.808	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CSCc3ccccc3)cc2F)C[C@@H](C)O1	917169739	LZRSAYBXFLFWFC-IAGOWNOFSA-N	402.535	3.989	10	20	HHCD	
COc1cc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc(OC)c1OC	917417517	JKTGHOKWAZICIF-UHFFFAOYSA-N	415.534	3.628	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC2)cc1	918065189	PIQZUJOJSRXRSZ-DEOSSOPVSA-N	422.573	3.754	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC3CCN(C(C)(C)C)CC3)cc2F)C[C@H](C)O1	918096953	GZXCCTOMIYUIPE-IRXDYDNUSA-N	420.573	3.501	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1nnc(-c2ccccc2)s1	920938169	FVAIBFJNYBJCFX-UHFFFAOYSA-N	413.478	3.503	10	20	HHCD	
CN1CCC(N(Cc2ccccc2)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1	1117643988	PQLLZJOERJHLGD-UHFFFAOYSA-N	410.581	3.674	10	20	HHCD	
Cn1ncc2cc(S(=O)(=O)Nc3nc(-c4cc5ccccc5o4)cs3)cnc21	1325836151	GKRDMJJNZGXAPT-UHFFFAOYSA-N	411.468	3.639	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1	24187694	TTXHQXDKBJCMJH-UHFFFAOYSA-N	420.557	3.908	10	20	HHCD	
CCCCCc1nnc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1	141478282	DCGBEEJMEHHSOI-OAHLLOKOSA-N	403.552	3.990	10	20	HHCD	
Oc1ccccc1CN(C[C@H]1CCCO1)c1ncnc2c1cnn2-c1ccccc1	301863329	LZVPPACLIFIPKL-LJQANCHMSA-N	401.470	3.707	10	20	HHCD	
COc1ccc(N2CCN(c3ncc(Cl)cc3Br)CC2)cc1F	302816837	IOUCHANEOQZDBF-UHFFFAOYSA-N	400.679	3.972	10	20	HHCD	
Cc1c(CNC(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)n(C)c2ccccc12	472278640	SJPVAZCAFGFXBL-KBMIEXCESA-N	421.541	3.738	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(C(F)F)c3)cc2)C1	726080774	OLZNJLBYNYRRDZ-INIZCTEOSA-N	402.445	3.648	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c2c(c1)C[C@@H](C)O2	727864887	YSEBYHJYFYTSIY-VBEHJTROSA-N	412.536	3.858	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cnc(C2CC2)nc1	728690265	RQJODFJUTBNMJR-UHFFFAOYSA-N	421.423	3.531	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CSC[C@H]2CCCCO2)cc1	728838199	CZLMUNMSXVRUOT-QGZVFWFLSA-N	404.498	3.946	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H](C)NC(=O)OCc3ccccc3)cc2)CC1	731015305	MORFQIKJJDESBY-IBGZPJMESA-N	409.530	3.854	10	20	HHCD	
COc1ccc(N2CCN(CCNc3nc(C(F)F)nc4ccccc34)CC2)cc1	731209718	WQKLPDYOTNAIAJ-UHFFFAOYSA-N	413.472	3.810	10	20	HHCD	
O=C(NCCCSc1nccs1)c1cnc(-c2ccc3c(c2)OCO3)s1	733973258	XKNZOPXMKIVDMN-UHFFFAOYSA-N	405.526	3.908	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1	734062368	QOUNTJBHHGJFQR-UHFFFAOYSA-N	421.453	3.740	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c1	734066127	PLOGGTXCTICNDA-UHFFFAOYSA-N	419.481	3.961	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](CN1CCCCC1)c1ccccc1	734268941	CFXWIFATTOGPDO-XMMPIXPASA-N	422.573	3.550	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)c(C)n1-c1ccccc1	738309358	OGSTZHVTMCOLOO-OYRHEFFESA-N	422.617	3.767	10	20	HHCD	
CCN(CC)c1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1F	740167764	MMTQAUINKQLFPQ-QGOAFFKASA-N	407.580	3.967	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1(c2cccc(Cl)c2)CC1	741079704	NTPDYKSDVRELRQ-UHFFFAOYSA-N	417.912	3.929	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc(C)c1F	742278679	QQFKQERTEYFFES-HOTGVXAUSA-N	424.513	3.674	10	20	HHCD	
COC(=O)Nc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800889	VWKSIUJFCVSKNN-CQSZACIVSA-N	419.428	3.865	10	20	HHCD	
CCOc1ncccc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743098724	TVXXOBDRGBENAF-CQSZACIVSA-N	406.433	3.872	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)Cc1ccsc1	743272499	HWYYUFJWACSADJ-AWEZNQCLSA-N	404.491	3.983	10	20	HHCD	
CN(C)Cc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)oc2ccccc12	743315515	XASHCJLBJZYDNQ-UHFFFAOYSA-N	421.541	3.633	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cn2)cc1	743327503	UKIHHOASSIQFPC-UHFFFAOYSA-N	413.455	3.512	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3ccc(=O)n(Cc4ccccc4)c3)ccc21	746764433	ZFNRWHGAILJIOZ-UHFFFAOYSA-N	402.498	3.601	10	20	HHCD	
CCOC(=O)Cc1nnc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1	752451977	LOGIMKYCUKVBDL-UHFFFAOYSA-N	418.906	3.957	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1nc(-c2ccc(Br)s2)no1	759595938	SGKGLTMBWRHPOT-KXFIGUGUSA-N	423.244	3.728	10	20	HHCD	
C[C@@H](NC[C@H](CO)Cc1ccccc1Br)c1cc(F)cc(F)c1O	760034224	LVACVNXZUIHDPV-VXGBXAGGSA-N	400.263	3.935	10	20	HHCD	
COc1ccc2c(c1)OC[C@H]2CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	760309970	NVFKNTFEPGLGDZ-KNQAVFIVSA-N	424.541	3.835	10	20	HHCD	
COC(=O)CCc1csc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1	769014635	ZMLXMJAJLARGPL-UHFFFAOYSA-N	416.547	3.807	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	769314950	RTLXPENOAFXGQL-SFHVURJKSA-N	403.567	3.648	10	20	HHCD	
CCc1c(C(=O)NCCCSc2nccs2)cnn1-c1ccccc1OC	769580960	UJBSAALMQUOMFI-UHFFFAOYSA-N	402.545	3.812	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)CC1CCC1	769927025	MKASGXAFASUJOR-QZTJIDSGSA-N	405.558	3.566	10	20	HHCD	
C[C@@H](NC(=O)Cc1cccc(OCC(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	770161272	YMPOGZBMIRTJRF-MRXNPFEDSA-N	422.447	3.884	10	20	HHCD	
O=C(CNc1cccc(Cl)c1Cl)NCc1ccc(N2CCOCC2)c(F)c1	772902479	TWOKUSGWCHWGPX-UHFFFAOYSA-N	412.292	3.697	10	20	HHCD	
C[C@H](NCc1ccc(I)cc1)c1ccc(N2CCOCC2)cc1	775258162	RXKUTDZBYMXHHE-HNNXBMFYSA-N	422.310	3.979	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1	775370007	JYMUEJWSTUVLIO-YUMQZZPRSA-N	404.335	3.774	10	20	HHCD	
Cc1cc(Br)cc(CN2CCC[C@@H](c3nnc4ccccn34)C2)c1O	775644210	AKRWIILQQKYETG-CQSZACIVSA-N	401.308	3.885	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC(n2ccnc2)CC1	775665590	UYEXJGZRCBPIPL-UHFFFAOYSA-N	415.129	3.951	10	20	HHCD	
CN1CCN(c2ccc(CN(Cc3ccccc3)C[C@@H](O)c3ccco3)cc2)CC1	775732764	PZUVKXKNUVEGQI-XMMPIXPASA-N	405.542	3.767	10	20	HHCD	
Cc1sc2ncc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c(=O)n2c1C	775773965	LYKHQMJVGRFUER-UHFFFAOYSA-N	409.467	3.514	10	20	HHCD	
O=C1[C@@H](NCc2ccc3c(c2)CCO3)CCCN1Cc1cccc(C(F)(F)F)c1	776302319	VPKKMXSACPKTOH-IBGZPJMESA-N	404.432	3.921	10	20	HHCD	
CC[C@@H](C)Oc1cc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccn1	776898895	BAMYESLGYXBTAF-QZTJIDSGSA-N	412.534	3.656	10	20	HHCD	
Cc1cc(Br)cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	777131066	ZQSYZCNOSQPOLN-UHFFFAOYSA-N	416.319	3.613	10	20	HHCD	
O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCc1ccc(O)c(O)c1	778929793	NVEMCXIOPLJSIJ-UHFFFAOYSA-N	403.504	3.540	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1	779484643	DNIWAONCCHUSSN-QCDXTXTGSA-N	406.413	3.819	10	20	HHCD	
COc1cc(N2CCN(c3ccnc4c(OC)cccc34)CC2)cc(OC)c1OC	780579532	AYDGRWZPXLGDOH-UHFFFAOYSA-N	409.486	3.596	10	20	HHCD	
Cc1cc(N2CCC(N[C@@H](C)c3ccc(N4CCOCC4)cc3Cl)CC2)n[nH]1	784056757	QBNBJGBKVYADPG-INIZCTEOSA-N	403.958	3.528	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1	787855127	NTLBWCMKYRBJCE-HNNXBMFYSA-N	420.456	4.000	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cnc1Br	788172151	NKIMJQDXPPWTLB-UHFFFAOYSA-N	404.308	3.724	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(-n3cccn3)cc2C)cc1	789558928	GFZZYONKMQFEGV-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
CC(C)Oc1ncccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	790290188	FEJIVSRXTYNEGM-HZPDHXFCSA-N	401.482	3.552	10	20	HHCD	
CN1CCN(C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)c2ccccc2)CC1	792880698	CAAYTEJMFVADEC-JOCHJYFZSA-N	420.523	3.850	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC(F)(F)C2)NC(=O)OC(C)(C)C)cc1	795136457	INBPYXVFGIGBHP-WBVHZDCISA-N	411.493	3.870	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1	797626216	GOPDPFZWMVBYNJ-CQSZACIVSA-N	420.531	3.564	10	20	HHCD	
COCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	802527640	JDSJOYLPPCMLRG-UHFFFAOYSA-N	406.534	3.613	10	20	HHCD	
C[C@@H](c1ccccc1)n1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1	804244797	IZGJMUIBQJOKDM-AWEZNQCLSA-N	410.861	3.820	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3ccc(Cl)cc3)cc2)CC1	805023380	SWFGAWATEJASLK-UHFFFAOYSA-N	413.949	3.851	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C(F)(F)F)[C@@H](CO)C3)cc2)CC1	806766150	NOKIDMIXXAWXAP-MJGOQNOKSA-N	413.484	3.625	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(OC2CCCC2)nc1	807512747	HOGBUHRALJHAFJ-UHFFFAOYSA-N	424.284	3.670	10	20	HHCD	
C[C@@H](O)c1ncc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1	809631263	SPXVKZAGYXPMHB-RDTXWAMCSA-N	420.579	3.618	10	20	HHCD	
COC(=O)c1c(F)ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1F	810337000	BTVSUBZSYLGEGG-AWEZNQCLSA-N	420.412	3.670	10	20	HHCD	
COCC[C@@H]1COCCN1C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	812745280	VEUNOHNOCNBKQY-GOSISDBHSA-N	421.335	3.734	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@@H](c3nncn3C)C2)c(C)n1-c1ccc(Cl)cc1	915266838	DNPWAEWURAXBOS-QGZVFWFLSA-N	411.937	3.825	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)N2CCCC2)c1	915690311	SANMEGRSQOAIEY-XMMPIXPASA-N	422.573	3.932	10	20	HHCD	
Cc1nc2ccccc2n1CCCNC(=O)NCc1ccc(N2CCSCC2)cc1	915906637	AORVRGQBZBWCCJ-UHFFFAOYSA-N	423.586	3.787	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)Sc2ncccn2)c(C)n1-c1cccc(F)c1	919626246	NIOMONBVKVZZRQ-HNNXBMFYSA-N	413.474	3.930	10	20	HHCD	
Cc1cc(C)n(CCCNC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1	919654016	DYDVABJJGNRCGV-UHFFFAOYSA-N	409.534	3.961	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)COc3ccc(F)cc3F)CC2)cc1	919921942	KFZMUPXFTPCTNC-MRXNPFEDSA-N	419.472	3.663	10	20	HHCD	
CC(C)OCc1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	920043397	HXIVFXRHWCKCNH-FQEVSTJZSA-N	424.545	3.635	10	20	HHCD	
COC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n(-c2ccccc2)n1	1115981964	GSSCZEORHRIPHB-UHFFFAOYSA-N	418.497	3.530	10	20	HHCD	
CC[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCN(C(=O)OC(C)(C)C)C1	1319567689	QMWYZUIFSVUPCE-HSZRJFAPSA-N	401.551	3.940	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C(N)=O)c3ccc(Cl)cc3)ccc21	1518763163	PRTBGEWUOXQEOM-HXUWFJFHSA-N	413.905	3.514	10	20	HHCD	
Cc1csc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)c1	1786486330	HOUDJWARZKLTGR-UHFFFAOYSA-N	423.494	3.924	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1C	4270241	KZBGOFCTEJCDKU-UHFFFAOYSA-N	417.465	3.545	10	20	HHCD	
CCc1ccccc1NC(=O)CN1CCN(Cc2c(O)ccc3ccccc23)CC1	20666192	GZNAPIRBXMNTPF-UHFFFAOYSA-N	403.526	3.864	10	20	HHCD	
CC(=O)NC1CCC(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	725907414	NVVUGONYKZUSFI-UHFFFAOYSA-N	401.938	3.854	10	20	HHCD	
O=C(NCc1ccccc1O)NCC1(c2ccc(Br)cc2)CCOCC1	726251067	RBXJVBZFXRTJSY-UHFFFAOYSA-N	419.319	3.702	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nn(-c2ccccc2)cc1OCCOC	729345078	QBEKWSWQXVZIFU-UHFFFAOYSA-N	422.529	3.626	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2ccc(F)cc2F)C1	730118149	TUFZUVXBTOTVAA-SFHVURJKSA-N	400.473	3.643	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3cccs3)cc2F)CC1	730133216	MDBLDJQTRHBMOZ-INIZCTEOSA-N	404.555	3.932	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)CC)cc2)cc1F	731398288	HBSDUNWBXDWKTK-UHFFFAOYSA-N	407.511	3.787	10	20	HHCD	
CC(C)n1cc([C@H](C)NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1	732822564	FZCFWDAOISNFEV-BBWFWOEESA-N	417.529	3.777	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](OCc4ccncc4)C3)c2C)cc1	734459758	MHXXWLZLHIXAFZ-QFIPXVFZSA-N	405.498	3.929	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCCC[C@H]3c3ccco3)cc2)C1	737036812	LPNGZAAUJODTSE-FPOVZHCZSA-N	424.545	3.808	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c2c(O)nn(C)c2n1	742416433	XVEWHZMOEYRZHW-UHFFFAOYSA-N	407.518	3.681	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]3c3ccccc3)cc2F)C[C@@H](C)O1	748820374	QQGMGVYQELMHPM-JBYIUTFZSA-N	411.521	3.503	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cnn(Cc4ccccn4)c3)c2C)cc1	749862114	AQTJHBHITMUJCK-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3ccccc3COC(C)C)CC2)cc1F	753824663	IBHAKOQOHRDSKY-UHFFFAOYSA-N	415.509	3.791	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccnc2-c2ccccc2)cc1F	755066361	YYSGWSWGTKBVCB-UHFFFAOYSA-N	420.488	3.989	10	20	HHCD	
C[C@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1O	756050458	NYUJVBOHVGDILZ-NSHDSACASA-N	409.379	3.942	10	20	HHCD	
COc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccccc3O)c2C)c1	756769787	YOMLRGJERLTBNC-UHFFFAOYSA-N	420.465	3.543	10	20	HHCD	
C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc(Br)cc(F)c1O	756802155	ALSRAGKYANGTIZ-NSHDSACASA-N	411.271	3.934	10	20	HHCD	
CCOC(=O)c1ccc(N2CC(N[C@H](C)c3ccc(Cl)c(Cl)c3O)C2)nc1	757654300	LCIUGVCHUVCAJX-LLVKDONJSA-N	410.301	3.810	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	759578824	KEGPSEDUAWWIHE-HOSRBBHYSA-N	405.834	3.652	10	20	HHCD	
O=C(Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1)Nc1ccccc1F	761641525	JHAAAIBQHYHMDX-UHFFFAOYSA-N	423.444	3.782	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	761723180	AFGKNJOOQKZKPF-UHFFFAOYSA-N	406.530	3.969	10	20	HHCD	
C[C@@H](NCC1(N2CCSCC2)CCCC1)c1ccc(N2CCOCC2)c(F)c1	764909201	NVLDJTQMKPDYLJ-GOSISDBHSA-N	407.599	3.675	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1	765325425	NRELQXKMMAZFKH-OFNKIYASSA-N	409.530	3.837	10	20	HHCD	
Cc1noc(C2CC2)c1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	767890758	OSJDGSXAOBOHQV-STQMWFEESA-N	402.470	3.935	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Cc3cccc(OCc4cccnc4)c3)ccc21	770715375	GXLNPYAOHYZBMA-UHFFFAOYSA-N	401.510	3.902	10	20	HHCD	
C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C)c1ccc(N(C)C)cc1	773017101	SKEODSXTVAXVIO-CYBMUJFWSA-N	401.561	3.579	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)cc1	773276267	BUEVBBMNSMHGOE-UHFFFAOYSA-N	403.486	3.896	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)c1ccc(N(C)C)cc1	773295681	JEOPFSVVMQFYID-LJQANCHMSA-N	410.562	3.788	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)c1ccc(N(C)C)cc1	773845381	IBGKHSRHQXTAJX-NSHDSACASA-N	424.726	3.984	10	20	HHCD	
CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1	774906516	BXXLBANWOTYSSJ-GOSISDBHSA-N	421.444	3.856	10	20	HHCD	
C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(OCc2cccnc2)cc1	774969854	XXRZOVPVQJWRHM-LJQANCHMSA-N	418.541	3.694	10	20	HHCD	
CCN(C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H](C)c1ccc(F)cc1	775259667	KDLSMIQLIFYHMI-RBUKOAKNSA-N	413.537	3.923	10	20	HHCD	
Cc1cc(Br)cc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c1O	775649992	WARHPDCKNLFGGA-UHFFFAOYSA-N	421.310	3.950	10	20	HHCD	
C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4cccc(Cl)c4O)CC3)cc2NC1=O	775678210	BMRFFLCSLCRKSZ-ZDUSSCGKSA-N	414.889	3.860	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)nc1Br	781954263	FCZAHXUYYIVCFK-UHFFFAOYSA-N	404.308	3.773	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cnc2c(c1)CCCC2	782781122	KSOLWXRGOLQQKJ-UHFFFAOYSA-N	406.530	3.548	10	20	HHCD	
CC(=O)Nc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)ccc1C	784061695	SIHUHGSUTJSNJS-UHFFFAOYSA-N	408.502	3.840	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1	785296644	HGJANUXKKMPCAA-OAHLLOKOSA-N	406.438	3.576	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1	787454756	IFTWJZDXBXZATN-UHFFFAOYSA-N	422.460	3.676	10	20	HHCD	
CCc1ccccc1S(=O)(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1	788091251	VDAXZRNAMCABKI-UHFFFAOYSA-N	423.538	3.542	10	20	HHCD	
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788933026	ONLDBQBUUMMQBP-UHFFFAOYSA-N	407.558	3.859	10	20	HHCD	
COC(=O)C[C@@](C)(NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccncc1	789555926	TZGWJWNJWHUFJP-JOCHJYFZSA-N	412.490	3.548	10	20	HHCD	
CC[C@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(C)cc1O	794798032	RMJYXKWYOHGRDA-QFIPXVFZSA-N	411.546	3.602	10	20	HHCD	
C[C@H](CO)NC(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2O)cc1	798085762	XXAIVOBGAKXBAN-QGZVFWFLSA-N	406.482	3.694	10	20	HHCD	
COc1ccccc1-n1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C	798408687	FJGYOIXNLTVBNK-KRWDZBQOSA-N	420.513	3.517	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)c(F)c1	799341167	QHJYLYYZNHLTDO-UHFFFAOYSA-N	423.891	3.598	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)CCc3ncc(C(C)(C)C)o3)cc2F)CC1	800884356	QBORWWYEAIFGJT-UHFFFAOYSA-N	416.541	3.502	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F	801631832	CRDGGYSNGRYSTQ-UHFFFAOYSA-N	423.510	3.616	10	20	HHCD	
Cc1c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)nnn1Cc1ccccc1F	802144511	ROHMQWWOAMJERU-UHFFFAOYSA-N	404.449	3.829	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC)CSc1ccccc1	807688403	QTFLCCCWSHYGCA-SFHVURJKSA-N	400.544	3.818	10	20	HHCD	
CCS[C@H]1CCCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	807701751	KXOJLPRLBZFOHH-RTWAWAEBSA-N	417.619	3.816	10	20	HHCD	
O=C(NC[C@H]1COc2ccccc21)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	808370258	OKHCVMYQVKCQTE-HOTGVXAUSA-N	417.456	3.732	10	20	HHCD	
Cc1cc(C(=O)NCc2ccncc2OCCCN(C)C)c(C)n1-c1ccc(F)cc1	809188804	RNHGAHYEYWDADK-UHFFFAOYSA-N	424.520	3.889	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](COC(=O)/C=C\c2ccc(O)c(O)c2)CC1	811156142	IFGGFATZPVMYTN-UJAYYQANSA-N	405.491	3.985	10	20	HHCD	
C[C@]1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)OCCc2sccc21	811865121	VOCSCNXDIXCCRC-OAQYLSRUSA-N	417.600	3.589	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1	815652711	OEJFQQKVXOVYKD-MDOVXXIYSA-N	414.477	3.721	10	20	HHCD	
CC(C)Oc1ncccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	857455381	CKTDUAKWURJQQF-OAHLLOKOSA-N	405.445	3.869	10	20	HHCD	
C[C@H](OCCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1	913635719	CXJHSSCOTVVSRC-FQEVSTJZSA-N	411.546	3.833	10	20	HHCD	
COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(C)c1	914851031	VCNWUHVSWOUESX-UHFFFAOYSA-N	418.496	3.965	10	20	HHCD	
COCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1	914851403	FUNLABXILUOCSH-UHFFFAOYSA-N	416.524	3.735	10	20	HHCD	
COCCOc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	915268797	CIEMQOSZJNARJF-UHFFFAOYSA-N	419.543	3.941	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2c2ccsc2)c1	917454946	NFPBTHDZRFQQGC-NRFANRHFSA-N	400.544	3.826	10	20	HHCD	
COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c2cccnc12	917926966	WXMNJHWNYXJRNC-UHFFFAOYSA-N	411.527	3.663	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC2)cc1	918054303	CCUXPHIKBLKRHR-XMMPIXPASA-N	422.573	3.754	10	20	HHCD	
Cc1nc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2o1	918293600	ATAYHZZDGXUJAR-UHFFFAOYSA-N	405.410	3.602	10	20	HHCD	
CCC(CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)N1CCCC1	920920546	IGVYXEGXXJSDJT-CVDCTZTESA-N	416.610	3.784	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1	72008951	PQNANPMWZJFVIS-UHFFFAOYSA-N	400.475	3.567	10	20	HHCD	
O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccccc3O)C[C@H]3CCCO3)o2)cc1	96971004	ZZEPFQNXSKUJAP-GOSISDBHSA-N	410.430	3.532	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	109179747	KGCYMGOVXUPPET-OAHLLOKOSA-N	408.420	3.955	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2)cc1	195546679	XYLQMOAEXDEYDU-UHFFFAOYSA-N	408.502	3.788	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3ccc(CCC(=O)N4CCCC4)cc3)ccc21	195737734	XSVPUFFUQXLNNK-UHFFFAOYSA-N	420.557	3.946	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c(OCC2CC2)c1	572033281	CJSHNSLLDRJTRN-UHFFFAOYSA-N	419.525	3.517	10	20	HHCD	
O=C(Nc1nnc(C2CC2)s1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726608768	BNIHFWMBMZOAPW-UHFFFAOYSA-N	409.462	3.807	10	20	HHCD	
CC(C)c1nc(CCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cs1	726615065	XCIKPBFSJXGXEU-MRXNPFEDSA-N	402.564	3.706	10	20	HHCD	
Cc1cccc(N(C)C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1	727093387	QAJNTUKEOQYBDN-UHFFFAOYSA-N	400.390	3.955	10	20	HHCD	
CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)s1	727241967	OPAVOEYYCNGLCY-UHFFFAOYSA-N	422.557	3.951	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=NN(c2ccccc2)C(=O)CC1	728281173	BSIRUDVKNFFXJF-UHFFFAOYSA-N	404.514	3.818	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3cc(F)ccc3F)cc2F)C[C@H](C)O1	729497800	ZCMQTZNWABQOHU-KBPBESRZSA-N	407.436	3.717	10	20	HHCD	
CSC[C@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	731393450	ZMMOOLQDBLJVDY-ZDUSSCGKSA-N	403.500	3.590	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1	732672546	JDWZICAFFHCSCU-FQEVSTJZSA-N	418.965	3.900	10	20	HHCD	
Cc1ccc(-c2noc(CCC(=O)NCCCSc3nccs3)n2)cc1F	733880881	PZEOKEWBZUYEOT-UHFFFAOYSA-N	406.508	3.872	10	20	HHCD	
Cc1cc(NC(=O)CN(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)n(C)n1	734147320	NDJJFEHXAKAKNY-UHFFFAOYSA-N	412.515	3.515	10	20	HHCD	
COc1ccccc1[C@H](CNC(=O)NCc1ccc(N(C)C)cc1C)N1CCCC1	734654278	SRPMGQLQTRQPKE-QFIPXVFZSA-N	410.562	3.706	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	734740082	KBGWKOGUJZHBQP-UHFFFAOYSA-N	421.504	3.913	10	20	HHCD	
CN(C)c1ccc(CN[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1F	738440621	WGNXWYLCAOSTLJ-QHCPKHFHSA-N	405.517	3.909	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(NC(=O)C(C)C)ccc3Cl)CC2)cc1	741518212	RTGQHYLQXYVTJX-UHFFFAOYSA-N	415.921	3.906	10	20	HHCD	
CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(C)n(-c3ccccc3C)c1C)CC2	741733451	IEIZFHHXDHPURL-UHFFFAOYSA-N	423.538	3.514	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3cccc(Oc4ccccn4)c3)CC2)cc1	742464309	LLGHGCBQWPQMBR-UHFFFAOYSA-N	418.497	3.643	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1	742476141	WJFHULVWGAQDQM-UHFFFAOYSA-N	401.551	3.940	10	20	HHCD	
CC[S@@](=O)c1ccccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800222	HCINRZUMSFJTOJ-PEGYKEAPSA-N	422.497	3.814	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C	743327220	DIJOJPNLEHKNDF-GOSISDBHSA-N	406.523	3.547	10	20	HHCD	
CC(C)[C@@H](CNC(=O)N(Cc1ccccc1O)C1CCCCC1)N1CCOCC1	745426681	LZBHZVMBTIHKJD-OAQYLSRUSA-N	403.567	3.593	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cccc(C(=O)N(C)C)c1	745846761	HPUMIXKBNLCKPW-UHFFFAOYSA-N	410.562	3.617	10	20	HHCD	
COC(=O)[C@H](O)C1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1	747519698	CEHLGSRYZLFSJU-JOCHJYFZSA-N	412.530	3.604	10	20	HHCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C12CCCCC2	750637028	JDMIPZIXBIMNIH-NHCUHLMSSA-N	419.541	3.589	10	20	HHCD	
COc1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1F	753856296	DMMBUJSLSUNLGT-UHFFFAOYSA-N	402.857	3.860	10	20	HHCD	
COc1cc(CN2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(O)c(C(C)(C)C)c1	754740929	NDTWPZVZXMOLKE-BEFAXECRSA-N	422.566	3.812	10	20	HHCD	
CC(C)CC(=O)N1CCC(N[C@@H](C)c2cc(Br)c(F)cc2O)CC1	756490657	QMOJXTBDBYWEBU-LBPRGKRZSA-N	401.320	3.982	10	20	HHCD	
CCC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)C(=O)N1CCc2sccc2C1	756536105	PNAYYLWIPYYWPR-KDOFPFPSSA-N	416.543	3.645	10	20	HHCD	
C[C@@H](N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756832507	GMSVSNWGFCRDJP-VGOFRKELSA-N	419.481	3.879	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1(C(F)(F)F)CC1	757391206	IZZAXQISVKAKPJ-LUAWRHEFSA-N	420.503	3.941	10	20	HHCD	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(C)s2)cs1	757550164	CACXQCSUTRBAFN-UHFFFAOYSA-N	412.489	3.907	10	20	HHCD	
COCc1nc(COC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)no1	759493355	KEDUMRRSKZVABE-UHFFFAOYSA-N	420.263	3.743	10	20	HHCD	
Cc1ccc(Br)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1	761895156	XWNCEXMNIMLWKQ-UHFFFAOYSA-N	404.308	3.916	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1COc2ccc(Cl)cc21)c1ccc(N2CCOCC2)cc1	762276633	WGBZKIVZBBEWHI-IFXJQAMLSA-N	401.894	3.671	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1	762387578	QUFFBLYXYIMFLO-NRFANRHFSA-N	412.578	3.609	10	20	HHCD	
CC[C@H](C)Oc1cc(CNC(=O)NCc2cccc(Br)c2O)ccn1	765538941	YENFPIJPLLAOBM-LBPRGKRZSA-N	408.296	3.726	10	20	HHCD	
C[C@@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1	765602300	MSNMMBSXINUIRB-MSOLQXFVSA-N	421.557	3.960	10	20	HHCD	
COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1Cl	766522296	ZAJXYAJTXZEJOM-LBPRGKRZSA-N	411.836	3.744	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C(=O)NC(C)C)cc1	767713203	XCCRVUSSWDHIHY-UHFFFAOYSA-N	419.319	3.955	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3c[nH]nc3-c3c(F)cccc3F)CC2)cc1	767941063	YVPYSLWWHPQJIR-UHFFFAOYSA-N	412.440	3.762	10	20	HHCD	
COc1ccccc1CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCCO1	768753016	IZTOHGVDNRMROO-NRFANRHFSA-N	414.521	3.852	10	20	HHCD	
COc1cc(O)c(CN2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)cc1OC	769654931	WAGCIOQRCPNVST-UHFFFAOYSA-N	408.539	3.878	10	20	HHCD	
COc1ccccc1[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)OC(C)C	769936279	WAWGCPMKNWCEOR-HSZRJFAPSA-N	402.510	3.927	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769943074	QQFIIEPXFZVREK-CHWSQXEVSA-N	410.923	3.681	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1	770354806	TXUFJQNWFXDJMH-NHYWBVRUSA-N	405.322	3.813	10	20	HHCD	
CN1CCN(c2ccc(/C=C3\SC(=S)N(C(C4CC4)C4CC4)C3=O)cc2)CC1	771512084	ANBMBSHNFVFQBI-RGEXLXHISA-N	413.612	3.828	10	20	HHCD	
C[C@@H](NC(=O)Cc1cccc(I)c1)c1ccc(N(C)C)cc1	773019456	LSRHPAFEFLCRBL-CYBMUJFWSA-N	408.283	3.777	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cn(C)c2ccccc12	773215831	UXVZIULIEGQFHP-MRXNPFEDSA-N	409.505	3.698	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCCC(=O)NCc3ccccn3)c2C)c1	773961121	GZFZJQQBJDWGLD-UHFFFAOYSA-N	404.514	3.542	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1	775218058	IZZIKBPGZKLHBS-OAQYLSRUSA-N	411.933	3.824	10	20	HHCD	
CC[C@@H](N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cc(Cl)ccc1O	775528411	YDQORBOHGGSPIO-MOPGFXCFSA-N	404.894	3.909	10	20	HHCD	
O=S(=O)(c1ccc(OCCNCc2cccc(Cl)c2O)cc1)C(F)(F)F	776252278	QILSOWZTGGBLLK-UHFFFAOYSA-N	409.813	3.508	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1	780468309	KPWMGUKJIHPOIK-UHFFFAOYSA-N	404.555	3.650	10	20	HHCD	
CN(Cc1csc(CS(C)(=O)=O)n1)c1ccc(OCc2ccccc2)cc1	781962599	ADLMPXBFIMGLAU-UHFFFAOYSA-N	402.541	3.903	10	20	HHCD	
C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCc1ccc(N2CCCC2)cc1	783224280	PWOQRMPTLAVIFC-WIYYLYMNSA-N	403.567	3.791	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(c4ncccc4F)CC3)ccc21	784169331	FJNPQQCGNDFKOS-UHFFFAOYSA-N	424.520	3.791	10	20	HHCD	
C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCN1C(=O)OC(C)(C)C	786250450	GRBNVSVGZRYFLC-YLJYHZDGSA-N	401.551	3.939	10	20	HHCD	
CC(C)c1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1Cl	786797475	WIELSOLYTIMQLQ-UHFFFAOYSA-N	420.962	3.628	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H](C)CC3CCCCC3)CC2)cc(OC)c1OC	787370856	RYMWCSQOIRCUPV-QGZVFWFLSA-N	419.566	3.903	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@@]1(c2ccccc2)CCCCC1=O	788465838	ACSVAVLXGABFFL-RUZDIDTESA-N	407.558	3.681	10	20	HHCD	
C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cccc(C(F)(F)F)c1O	788778763	YGSNIWIWJWIJPV-LBPRGKRZSA-N	406.412	3.757	10	20	HHCD	
CN1CCC[C@H](N(C)C(=O)c2ccc(NCc3c(O)ccc(Cl)c3F)cc2)C1	789890658	PVEBYBKMMDIWMF-INIZCTEOSA-N	405.901	3.963	10	20	HHCD	
CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	790835503	RSIJPDQSHMWAOC-CVEARBPZSA-N	403.548	3.668	10	20	HHCD	
Cc1cc(CC(=O)Nc2ccc(-n3cncn3)cn2)c(C)n1-c1ccc(Cl)cc1	791289417	VAPZHMGUOLOVGF-UHFFFAOYSA-N	406.877	3.904	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)s1	793207827	RSWLQGOINQWSAS-UHFFFAOYSA-N	423.560	3.730	10	20	HHCD	
C[C@H](O)CN1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)[C@H](C)C1	793874521	KDIBRPLADWVQCN-MSOLQXFVSA-N	409.534	3.695	10	20	HHCD	
C[C@H](NCCN1CC=CCC1)c1cc(Br)cc(Br)c1O	794832953	IMCRCWZTFOQZRA-NSHDSACASA-N	404.146	3.830	10	20	HHCD	
c1ccc(CN2CCc3cc(CNCc4cccnc4N4CCOCC4)ccc32)cc1	796263637	BFMVQRDNEGSUOW-UHFFFAOYSA-N	414.553	3.771	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)cc1	798087578	MBTHZIWONBXDSY-FXAWDEMLSA-N	419.447	3.890	10	20	HHCD	
O=C(c1ccc(F)cc1)c1cc(Cl)ccc1NCc1nnnn1CC(F)(F)F	799967127	GGZPQPSRPOKOFU-UHFFFAOYSA-N	413.762	3.871	10	20	HHCD	
COc1cccc(C[C@H](O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1	800571197	GRKKXJVWHUEKQV-ZHRRBRCNSA-N	416.949	3.805	10	20	HHCD	
Cc1cc(C(=O)NS(=O)(=O)C[C@@H]2CCCOC2)c(C)n1-c1ccc(C(C)C)cc1	803013612	WGEINAYOAILCIK-GOSISDBHSA-N	418.559	3.704	10	20	HHCD	
O=C(N[C@@H]1CCc2c(O)cccc21)C(=O)N(Cc1ccccc1O)C1CCCCC1	804400343	GDDHLCWRAVMPJM-HXUWFJFHSA-N	408.498	3.563	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(C[S@@](C)=O)cc2)cc1F	805094798	QMXWIYDECYPPOW-MUUNZHRXSA-N	405.539	3.550	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCCNC2=O)cc1	812876490	FNCPBRNXYOBSFR-SFHVURJKSA-N	421.545	3.767	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@@H](C2CCC2)C1	813661397	KNZYFIIBCJZTNF-ZWKOTPCHSA-N	423.504	3.715	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(F)c1Br	815655291	NSFNSJJLJRMYMF-UHFFFAOYSA-N	421.310	3.727	10	20	HHCD	
CC1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc2)CC1	915779222	YLZVEEAYJPOXIE-UHFFFAOYSA-N	420.557	3.778	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3cc(F)cc(F)c3)n2)cc1	916111270	GYSNJALTNUQYIU-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N2CCSCC2)CCCC1	916616381	ZZSVDLIEXSAOGO-UHFFFAOYSA-N	404.624	3.646	10	20	HHCD	
Cc1cc(C)c(/C=C\C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1C	917833974	FIGQKLGIJCOYPH-KKCDMYQCSA-N	405.542	3.643	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1	918444665	YCBQSFSCVJWISG-UHFFFAOYSA-N	407.495	3.677	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)C3CCCC3)c2C)cc1	919356206	WVDQGUCVXPFAAT-QGZVFWFLSA-N	410.514	3.823	10	20	HHCD	
CCN(Cc1cc(=O)n2cc(Br)ccc2n1)c1ccc(OC)c(OC)c1	921060971	GTMVKYHBVDDTRL-UHFFFAOYSA-N	418.291	3.501	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C(=O)NCc3ccco3)C(C)C)sc2n1	924237140	QUPSZXCPAOWUOW-INIZCTEOSA-N	401.488	3.586	10	20	HHCD	
Cc1nc2ncnn2c(C)c1CCc1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1	1328101715	PAXWXTHLHSNLGV-UHFFFAOYSA-N	413.485	3.984	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1)c1cccc(F)c1	1790260538	ZNMRSZUSZGTLOB-UHFFFAOYSA-N	421.428	3.693	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3cc(Cl)ccc3OC)CC2)cc1	105373608	LPXWMIVUYTVUGY-UHFFFAOYSA-N	420.962	3.939	10	20	HHCD	
Cc1c(CNC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n(C)c2ccccc12	472228648	HFTYIINHRJOYQO-CVDCTZTESA-N	405.546	3.716	10	20	HHCD	
O=S(=O)(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cccc2nsnc12	516619198	KMQIAZNXQCPOPZ-UHFFFAOYSA-N	407.370	3.572	10	20	HHCD	
COc1cc2c(cc1/C=C1\SC(=S)N(CCc3ccccn3)C1=O)O[C@@H](C)C2	726196765	AXSDRMBZXPJKCR-QXGSTRBFSA-N	412.536	3.858	10	20	HHCD	
COc1ccccc1C1(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	726244235	BQTHQOTZOMDLLU-SFHVURJKSA-N	409.530	3.624	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C(=O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	727091675	KXJVLERUNRTKKK-OKILXGFUSA-N	404.869	3.592	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1	729517876	VWKYLRRICMBYOA-NRFANRHFSA-N	422.506	3.552	10	20	HHCD	
CC1(C)Cc2cc(/C=C3/SC(=S)N(c4ccc(C(N)=O)cc4)C3=O)ccc2O1	729687980	MHMXBLBRUKYPNE-LICLKQGHSA-N	410.520	3.905	10	20	HHCD	
Cc1cc(=O)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)nn1-c1ccccc1	731015109	IAEFGUGLOKRTQC-UHFFFAOYSA-N	416.525	3.707	10	20	HHCD	
Cc1nc(C)c(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	731044099	MUSHHRSEUNHOKC-OKILXGFUSA-N	420.554	3.555	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)cc1)C1CCCCC1	732279816	PTFDWBPYCACOPQ-UHFFFAOYSA-N	406.486	3.729	10	20	HHCD	
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCSc1nccs1	733974115	FXWZSXOYZQXBLS-SNVBAGLBSA-N	401.897	3.771	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1	734017361	GLCHAGFFKDSUFD-UHFFFAOYSA-N	424.457	3.779	10	20	HHCD	
CCc1cccc(CC)c1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1	736063688	NIGYUJUNCUNZIR-UHFFFAOYSA-N	416.952	3.637	10	20	HHCD	
COC(=O)Cc1csc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1	742733856	CAGDFDDIXBGKGT-UHFFFAOYSA-N	416.547	3.949	10	20	HHCD	
O=C(COc1ccc(F)cc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742801410	YZLGNLWQTZEFAE-AWEZNQCLSA-N	412.383	3.730	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCNC(=O)CC(C)C)c(C)n1-c1cccc(F)c1	745212194	JLKCIIIMLMFDNH-UHFFFAOYSA-N	402.466	3.512	10	20	HHCD	
Cc1cc(C)c(C)c(OCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	746011668	XSNKXDCYZWAXGB-UHFFFAOYSA-N	414.521	3.797	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(NC(N)=O)CC2)c(C)n1-c1ccc(C(C)(C)C)cc1	746481453	INOCVMOQTIHFSB-UHFFFAOYSA-N	410.562	3.707	10	20	HHCD	
COc1ccc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1	749206890	GNKGGXHDFBLKIQ-INIZCTEOSA-N	420.460	3.502	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c(OC)ccc3nc(Cl)ccc23)c1	751316746	ARNBKFMNXIYRQC-LLVKDONJSA-N	422.890	3.651	10	20	HHCD	
COC(=O)c1cc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)c(C)s1	751935714	CERHCRNUGLYZBM-UHFFFAOYSA-N	402.497	3.830	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(Cl)cc3F)cc2F)C[C@H](C)O1	753822202	NXTIYWGDGFZCRD-KBPBESRZSA-N	424.875	3.927	10	20	HHCD	
C[C@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCCCC1	754121220	AQCJVSUBGPFKRQ-KURKYZTESA-N	405.558	3.614	10	20	HHCD	
C[C@H]1CN(CCCCN[C@H](C)c2cc(Br)cc(F)c2O)C[C@@H](C)O1	756482145	GZRAABIHWKIDHY-HZSPNIEDSA-N	403.336	3.834	10	20	HHCD	
CCC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)C(=O)N1CCc2sccc2C1	756536106	PNAYYLWIPYYWPR-KSSFIOAISA-N	416.543	3.645	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cncc(-c2ccccc2)c1	758259225	RLUWIKMQBOCZEU-UHFFFAOYSA-N	405.473	3.779	10	20	HHCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c(O[C@H]2CCOC2)c1	758803329	SBWFUTZUFNHTOU-QFIPXVFZSA-N	407.514	3.538	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(NC(N)=O)c(OC)c3)c2C)cc1	762561793	JLJYDJOEGHSTDI-UHFFFAOYSA-N	408.458	3.854	10	20	HHCD	
C[C@@H](NCCNC(=O)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1Cl	765406186	QYMOHUJBCFNPFN-OAHLLOKOSA-N	422.356	3.911	10	20	HHCD	
COc1ccc(C[C@@H](C)C(=O)NCc2cccc(Br)c2O)cc1OC	765752279	WCCGCZPNZDOMDY-GFCCVEGCSA-N	408.292	3.667	10	20	HHCD	
CCC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(OC)cc1	765977330	FQBSMUKNNCSPFQ-QFIPXVFZSA-N	402.560	3.561	10	20	HHCD	
CCOCCCN1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)[C@@H](C)C1	766024507	WWIBHENIXWLJMY-YYDVJCTNSA-N	424.029	3.964	10	20	HHCD	
C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	766894471	UZIYZBLTYYSTND-DRSNIGMVSA-N	415.509	3.535	10	20	HHCD	
CNC(=O)c1ccc(CN(Cc2cc(Br)cc(OC)c2O)C2CC2)cc1	768424028	LVRDMJBOMPTNST-UHFFFAOYSA-N	419.319	3.688	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)c3c(F)cccc3F)c2C)cc1	771068391	AVNARFXHUBORNL-FQEVSTJZSA-N	400.425	3.844	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3sc(CCOC)nc3C)cc2F)CC1	771399451	VPZVXVBLRXGUIK-MRXNPFEDSA-N	420.598	3.772	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C	773757762	ZMEUPDBUIGZUSZ-CQSZACIVSA-N	400.475	3.735	10	20	HHCD	
Cc1cc(C)cc(-n2nc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2C)c1	773846711	NQZBOHWXKJPHBQ-GOSISDBHSA-N	419.529	3.679	10	20	HHCD	
COC(=O)N1CCC([C@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1	777196882	NSVFIAARVJGPLU-HNNXBMFYSA-N	401.482	3.830	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2cccc(CS(C)(=O)=O)c2)c1O	779020048	VBLKCIJIHJVDJF-CYBMUJFWSA-N	412.349	3.859	10	20	HHCD	
COc1ccc(N2CCC(NCC3=CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1	779072432	JGCZVKAVDUBTIK-UHFFFAOYSA-N	401.551	3.821	10	20	HHCD	
CC(=O)Nc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1C	782895698	GZWFSYYJNTYXIN-UHFFFAOYSA-N	423.513	3.959	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)C2CCCCC2)cc1	784058674	ZWXDRBZSXFKPNR-UHFFFAOYSA-N	410.522	3.670	10	20	HHCD	
CC(=O)N(C)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1	784062489	NJXQLJNEVSNRDA-UHFFFAOYSA-N	408.502	3.556	10	20	HHCD	
CCc1ccccc1NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O	785195205	MDYUMFNMOXNLTJ-UHFFFAOYSA-N	405.292	3.704	10	20	HHCD	
CCc1ccc([C@H](C)CC(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1	786258207	AKCQZQOBPQUISB-LJQANCHMSA-N	407.558	3.728	10	20	HHCD	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	787871174	HRZZBADWUZJZSD-GOSISDBHSA-N	423.557	3.908	10	20	HHCD	
CCOc1c(Cl)cccc1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	790365698	HIWRIVCMRGLQBF-UHFFFAOYSA-N	406.885	3.573	10	20	HHCD	
C[C@H](O)C[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	790763944	CWFMCAQEEBFVQO-LZLYRXPVSA-N	411.493	3.592	10	20	HHCD	
C[C@@H](Cc1ccsc1)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	793792085	PVHHMYCFNCJURR-INIZCTEOSA-N	400.544	3.862	10	20	HHCD	
O=C1/C(=C/c2ccnn2-c2ccc(F)cc2)SC(=S)N1CCc1ccccn1	794859197	MAHABQJHFADRJQ-AQTBWJFISA-N	410.499	3.850	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	795018518	MRGLDBUDXDNYDV-VQTJNVASSA-N	420.431	3.842	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C	798507716	MYLBHYXOEDZIRR-LJQANCHMSA-N	409.546	3.691	10	20	HHCD	
COc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])s3)n2C[C@@H]2CCCO2)cc1	799923821	CAPBIDMRRKWCJL-ZDUSSCGKSA-N	419.488	3.649	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)cn3)cc2Cl)C1	800636353	KAWKPEUNNSNJEI-ZDUSSCGKSA-N	421.328	3.880	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccc(CC(C)C)c3)cc2)CC1	803162089	MFHPOHKBTKPBDK-FQEVSTJZSA-N	421.585	3.974	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cnn(C)c3-c3ccccc3)CC2)cc1	806776750	PKDLHLUQMZODSQ-UHFFFAOYSA-N	405.502	3.886	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCC(C)(C)Cc1cccc(Cl)c1)c1ccc(N(C)C)cc1	807673507	UYRSNTBTAAGDHO-MRXNPFEDSA-N	415.965	3.968	10	20	HHCD	
COc1cccc(CN(CC(C)C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	807674687	PJGUKAIYJGVYNV-GOSISDBHSA-N	411.546	3.623	10	20	HHCD	
O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	809707301	FFQOGPYEHPIBBY-LSDHHAIUSA-N	403.306	3.569	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cc(Br)ccc3O)CC[C@H]21	814176882	UYFNKAJKIHQINU-XJKSGUPXSA-N	411.340	3.986	10	20	HHCD	
CCc1ccc([C@H](C)NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	857758541	KECOGYILNGIORG-PMACEKPBSA-N	409.574	3.783	10	20	HHCD	
Cc1cc(CCNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1	915313222	KERGLZAUWIGXQO-UHFFFAOYSA-N	411.527	3.862	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(OC(F)F)c3)cc2F)C[C@@H](C)O1	917708748	FVQBXHMSTLEPOX-ZIAGYGMSSA-N	408.420	3.971	10	20	HHCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)n2)c(C)o1	918196401	RWAQMBYYGICRMS-UHFFFAOYSA-N	406.485	3.982	10	20	HHCD	
Cc1nc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2o1	918310631	NFRUHMWEBLLALU-UHFFFAOYSA-N	406.486	3.724	10	20	HHCD	
O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCC(CO)CC2)cc1	919969210	YQYVETGVOPOJGL-UHFFFAOYSA-N	423.340	3.897	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1	920053950	HQPSAGQYUIEXIZ-HNNXBMFYSA-N	403.473	3.529	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1	921120968	KXKSLVXOMKFTQS-QGZVFWFLSA-N	402.489	3.699	10	20	HHCD	
COc1ccccc1-c1nnc(COC(=O)c2sc3nc(C)cc(C)c3c2N)o1	1318939788	SSSLTTPNXZFPJP-UHFFFAOYSA-N	410.455	3.911	10	20	HHCD	
C[C@@H](NCc1cccc(CN2CCN(C)CC2)c1)c1ccc(Br)cc1O	1321023637	OENXHMYEZXRVOB-MRXNPFEDSA-N	418.379	3.753	10	20	HHCD	
COC(=O)C[C@@]1(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CCCOC1	1342806793	KQNLUGXJPLGVOD-NRFANRHFSA-N	404.894	3.590	10	20	HHCD	
C[C@@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	6291377	FJJIKQDJUHYMCR-CABCVRRESA-N	403.434	3.689	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cccc2c1OCCO2	54175786	RPGJWRVEOGVTAA-UHFFFAOYSA-N	408.420	3.603	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CS(=O)(=O)c3ccccc3)c2C)cc1	216696855	BVUMSBWSUBSVPE-UHFFFAOYSA-N	411.479	3.537	10	20	HHCD	
Cc1noc(C)c1CN1CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1	303172429	IZVCXKUMHABWCR-UHFFFAOYSA-N	417.513	3.529	10	20	HHCD	
Cc1noc(CSc2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2)n1	437012439	LKJDSNUHMGUCSU-UHFFFAOYSA-N	410.499	3.776	10	20	HHCD	
Cc1c(CNC(=O)N(C[C@H](O)COc2ccccc2)C(C)C)n(C)c2ccccc12	472222700	NGJWFKZQUDMDRV-IBGZPJMESA-N	409.530	3.847	10	20	HHCD	
O=C(Cc1occc1C(=O)N1CCc2ccc(F)cc21)N1CCc2ccc(F)cc21	498185969	OXKMHWNLXXYMRO-UHFFFAOYSA-N	408.404	3.893	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)n(C)c2ccccc12	564002587	IEXDSAWGGWGVTE-SFHVURJKSA-N	403.526	3.930	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1	726563154	XLNQEJCMPGZOOQ-FQEVSTJZSA-N	419.566	3.720	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566547	SMTFGEYQXPWSCF-AWEZNQCLSA-N	408.420	3.980	10	20	HHCD	
C[C@H](Oc1cccc(F)c1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726567808	PUZLMPYVMGXMMX-AWEZNQCLSA-N	408.420	3.980	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C)c2I)c1	729280312	QPGOSBDTPSVCFH-LLVKDONJSA-N	411.239	3.805	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCn2cccc2[C@H]1c1ccccc1	729599564	IATFWJIAZRYITG-XMMPIXPASA-N	416.525	3.640	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccccc2CS(=O)(=O)NC(C)C)cc1	729678927	MWQAUDPKABCEOU-UHFFFAOYSA-N	403.592	3.650	10	20	HHCD	
COC(=O)NC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	729737824	FKZJKXPSHDXRNG-UHFFFAOYSA-N	424.856	3.747	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(N2CCCC2=O)CC1	729884196	PRJDAYPTYKFCEQ-UHFFFAOYSA-N	419.485	3.654	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCc1cn(-c2ccccc2)nc1C	734527211	ZPAQZRAYXIFUCR-UHFFFAOYSA-N	405.546	3.987	10	20	HHCD	
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(N(C)C)cc1C	734687777	ANHBKWWAYOZIOJ-HSZRJFAPSA-N	409.578	3.652	10	20	HHCD	
CCOc1ccc(CN[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)c(O)c1	738439752	MGEDTBDZWRGFOD-QHCPKHFHSA-N	404.510	3.808	10	20	HHCD	
CC1CCN(c2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)CC1	740491103	HNWREWLEIOCDNV-UHFFFAOYSA-N	408.546	3.586	10	20	HHCD	
CCOC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	740605118	LWIFMTJBDVGWFP-UHFFFAOYSA-N	402.516	3.900	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	741710328	BPQWAKSFZDKASM-UHFFFAOYSA-N	412.490	3.664	10	20	HHCD	
COc1ccccc1[C@H](C)SCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	742454278	CCYZSYNEHKPCKA-INIZCTEOSA-N	418.534	3.782	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCCNc1ccc(C)cn1	745535685	ZDZBFJPNZRMDNR-UHFFFAOYSA-N	421.339	3.892	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCNc1nccc(C(F)(F)F)n1	745832631	IMVYHIFHNCGDEK-UHFFFAOYSA-N	424.471	3.594	10	20	HHCD	
Cc1ccc([C@@H](O)CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	745904936	VPFMRNKSGIRKQN-XLIONFOSSA-N	419.472	3.598	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H]1CN1CCCC1	745905677	PTQRDPBLAKVOCO-HKUYNNGSSA-N	422.520	3.527	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2nccnc2-c2nc3ccccc3s2)cc1F	746864750	WYQDZKWUFLGGSQ-UHFFFAOYSA-N	407.474	3.888	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C2CC2)cc1	747377092	ZJULVOXBBHVIJX-UHFFFAOYSA-N	415.559	3.536	10	20	HHCD	
C[C@H](c1ccncc1)N1CCC(NC(=O)NCCCSc2nccs2)CC1	749202986	QQMWEJXIPNEVEJ-OAHLLOKOSA-N	405.593	3.545	10	20	HHCD	
CC(C)OCCN1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	749746289	WLGHPJTYXZPANX-UHFFFAOYSA-N	423.517	3.610	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)N[C@H](c3ccccc3)C3CC3)cs2)cc1	751932321	YVHMQGQEDDDCGP-JOCHJYFZSA-N	421.522	3.740	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2CC[C@@H](OC)C2)sc(C)c1-c1ccccc1	752088887	PZTYJYQDWCBCIV-QGZVFWFLSA-N	416.543	3.950	10	20	HHCD	
Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	752358096	FJVRAOKLDDDSAN-UHFFFAOYSA-N	410.562	3.900	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC(Cc4ccc(F)c(F)c4)C3)CC2)cc1	752955895	HTIVFMWGENUFCX-UHFFFAOYSA-N	415.484	3.826	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c[nH]1	753137764	JYYQJCOQPPVOFF-MKMNVTDBSA-N	408.888	3.869	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	753640260	NAAWVDJUWUVWED-QYJOXAENSA-N	408.336	3.879	10	20	HHCD	
COc1ccc(N2CCN(CCC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1F	753857508	MSRRUAIGKGFODU-JOCHJYFZSA-N	411.521	3.540	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)c3cc(C)n(-c4nccs4)c3C)CC2)cc1	754640213	KCCORUAXKRGQAO-UHFFFAOYSA-N	424.570	3.954	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)s1	756480636	SVCUDNQKRIHTRV-IUODEOHRSA-N	412.552	3.961	10	20	HHCD	
C[C@H](NC1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc(Br)cc(Cl)c1O	756763890	AYYYNOHXVFRUFP-JECHBYEQSA-N	417.775	3.837	10	20	HHCD	
COCCc1noc(CN(C)CC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)n1	758803330	SFAZIBVQBSYHLR-UHFFFAOYSA-N	410.518	3.598	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)CC(C)(C)O2	759495610	CBBDIIODMNHFTJ-UHFFFAOYSA-N	421.541	3.988	10	20	HHCD	
CC[C@@H](NC(=O)NCCCSc1nccs1)[C@H](O)c1c(F)cccc1F	759588859	DWPMYLHCZUMVGY-HIFRSBDPSA-N	401.504	3.715	10	20	HHCD	
COc1cc(Cl)cc(CNC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1O	761214848	FVOTWCWRYSQNAJ-CYBMUJFWSA-N	419.827	3.894	10	20	HHCD	
Cn1cc(CNC(=O)NCc2cccc(Br)c2O)c(-c2ccccc2)n1	764808528	YHKVVWINDKMKGV-UHFFFAOYSA-N	415.291	3.555	10	20	HHCD	
C[C@H](Cc1ccc(F)cc1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	765278708	ASHMVYQNNYOBTB-GOSISDBHSA-N	423.511	3.802	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCCCO2	765285709	FAZXWXABQONADK-MRXNPFEDSA-N	400.494	3.799	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)CC2)cc1	765638726	OIASRWMKCSIEED-CPJSRVTESA-N	409.574	3.543	10	20	HHCD	
C[C@@H](Cc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1	765669482	MDVWMIWESKRTNN-INIZCTEOSA-N	417.347	3.781	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cc(F)ccc3Br)c2)CC1	770151945	CYOAZWIHWALFMI-UHFFFAOYSA-N	406.299	3.982	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCSc1nccs1	772624424	QACIVIRUUDZJCB-KBPBESRZSA-N	414.597	3.713	10	20	HHCD	
C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(Cl)c(Cl)cc1O	774132834	DFKSJMRLQPQXPD-LLVKDONJSA-N	403.331	3.800	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](O)c2cccc(OCc3ccccc3)c2)c1O	775031352	AKFZYWYBMMCTSQ-NRFANRHFSA-N	424.453	3.711	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3ccc4occ(C)c4c3)CC2)cc1	776086210	QUFIHTQPZYYKCF-UHFFFAOYSA-N	408.502	3.694	10	20	HHCD	
O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(F)cc2F)c(Br)c1	777473144	CRFNEWQOGLTEAH-UHFFFAOYSA-N	403.208	3.949	10	20	HHCD	
COC(=O)c1occc1CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)c1ccccn1	779510692	MFZYBZHHSKTYHC-SOIVGHGOSA-N	422.437	3.676	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc4c5c([nH]c34)CCCC5)c2)CC1	781270252	HRMCVKMFXNLSRY-UHFFFAOYSA-N	416.525	3.968	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)cc1	782187551	CLFRRDJZTNDWFP-DHDCSXOGSA-N	405.522	3.701	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)/C=C(/C)c3ccccc3Cl)cc2)CC1	786256097	RTPUBRJYZBHSQX-ICFOKQHNSA-N	411.933	3.728	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1	786410875	VHZQRAGAPNXBIH-JTQLQIEISA-N	409.236	3.871	10	20	HHCD	
Cc1ccsc1CNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	786821019	UIDWENQGALSMPF-AWEZNQCLSA-N	419.978	3.879	10	20	HHCD	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)o1	788933724	XDHCVGZSNWDUMT-JTSKRJEESA-N	421.541	3.811	10	20	HHCD	
CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cccc(O)c2O)cc1	790823400	UYUDJADHMDOSKH-UHFFFAOYSA-N	413.451	3.936	10	20	HHCD	
CN(C)c1ccc(CNCc2ccc(C(=O)N3CCOCC3)cc2)c(C(F)(F)F)c1	792895251	OBXXFQDLCBUCAX-UHFFFAOYSA-N	421.463	3.534	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](c2cncc(Br)c2)C2CC2)c1O	793607075	ALTFCHSQVKBDGH-OAHLLOKOSA-N	408.252	3.707	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CCc3cncnc3)c2C)c1	796168584	UPKKVRDFQAPCIZ-UHFFFAOYSA-N	409.511	3.965	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(-c2cccnc2)ccc1C	796826080	DANBRUALDDDECC-UHFFFAOYSA-N	402.498	3.686	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(C)c(Cl)c(C)c3)CC2)cc1	799833322	ONKRKURUDZGVDQ-UHFFFAOYSA-N	415.921	3.689	10	20	HHCD	
CCCCN(Cc1ccccc1O)Cc1nnnn1-c1ccc(OC(F)F)cc1	801596574	GIEGVYLDXPKCOY-UHFFFAOYSA-N	403.433	3.772	10	20	HHCD	
NC(=O)c1ccc(NCc2cc(Br)ccc2O)cc1N1CCCCC1	802652744	RGYZBCUOBVDEKQ-UHFFFAOYSA-N	404.308	3.856	10	20	HHCD	
COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	803688019	UHZWMOAACGROAZ-OAQYLSRUSA-N	423.557	3.597	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCC[C@@H]1c1cc[nH]n1	806683955	CXKPWXXPXBXIFN-LJQANCHMSA-N	419.476	3.917	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccccc1	806872770	NOXLKSZAWGZGEZ-BDJLRTHQSA-N	408.285	3.692	10	20	HHCD	
Cc1cc(CCNC(=O)NCCCN2CCCCCC2=O)c(C)n1-c1ccccc1	807009277	MPVBETQBQLABQT-UHFFFAOYSA-N	410.562	3.729	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(C(F)F)cc2)cc1	807176840	XUKGHEPFJDZNMR-UHFFFAOYSA-N	403.473	3.745	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccncc1OC[C@H]1CCOC1	807730449	JLJCPXLGDOQDKX-KRWDZBQOSA-N	411.527	3.896	10	20	HHCD	
COc1cc(Br)cc(CNC[C@H]2CCN(c3ccccc3F)C2)c1O	812772350	LBWYOKPGVJDWQS-CYBMUJFWSA-N	409.299	3.919	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3scnc3C(F)(F)F)cc2F)C[C@@H](C)O1	816891009	FWXQFDBPPVLVGO-PHIMTYICSA-N	417.428	3.845	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1	818783487	GLAYXICYDMAXER-UHFFFAOYSA-N	415.496	3.504	10	20	HHCD	
O=C(NCCNC(=O)c1ccccc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915756344	KZRGBYOPBSETOV-UHFFFAOYSA-N	415.453	3.587	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CCN(Cc2ccccn2)CC1	916382162	BBGJWKHGALNWNG-UHFFFAOYSA-N	421.589	3.878	10	20	HHCD	
O=C(COC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(O)c(O)c1	916590152	CHVSSMQEJRPRQH-UHFFFAOYSA-N	408.406	3.595	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	917715014	YKZAULUDQCCDAX-CHWSQXEVSA-N	421.856	3.931	10	20	HHCD	
O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)c(F)cc2N1	917864393	OEGMSEVCUVIOAJ-UHFFFAOYSA-N	421.450	3.774	10	20	HHCD	
CO[C@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1	918203029	UKVGDYYIYQEUEV-PNLZDCPESA-N	415.509	3.626	10	20	HHCD	
O=C(Nc1ccc2ncsc2c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	918294761	VLDVHNUAKOMWNC-UHFFFAOYSA-N	407.451	3.762	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cccc(C(C)C)c3)CC2)cc1	920254526	OZXGKWRIDXMKLN-QXMHVHEDSA-N	407.514	3.662	10	20	HHCD	
Cc1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C2CC2)n1	1116901719	QHUQYAJZNQVXLH-HNNXBMFYSA-N	402.445	3.663	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(c2cccc(OC)c2)CC1	1318146163	NWRSTGVVOJIFHJ-UHFFFAOYSA-N	410.562	3.962	10	20	HHCD	
O=C(NCCCNCc1ccc(N2CCCC2)cc1)c1cccc(Br)c1	1318339811	XCICVUMPTUNVDE-UHFFFAOYSA-N	416.363	3.959	10	20	HHCD	
CCOc1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1	1319379850	BXIBJNPCKJLLBQ-UHFFFAOYSA-N	403.910	3.508	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCN(C(=O)N2CCOCC2)CC1	1321643307	MIESNKDUGVSQLV-UHFFFAOYSA-N	422.489	3.704	10	20	HHCD	
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1	1325053215	YZUSAZGGXSXOMB-CYBMUJFWSA-N	407.312	3.524	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ncc(C(N)=O)cc2Cl)cc1)C1CCCCC1	1340974657	ZLZITNQCCGPGSL-UHFFFAOYSA-N	400.910	3.533	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1)c1cc(O)nc(O)c1	1788427756	MWQJYGCEGHSSPG-UHFFFAOYSA-N	421.428	3.693	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1	27154628	SVLSLJQMHBSOFS-HSZRJFAPSA-N	401.510	3.882	10	20	HHCD	
CCN(c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1)C(C)C	60750326	GNQQENCCWJCSTI-UHFFFAOYSA-N	408.546	3.559	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	109915393	GUMGVCXPQIUBDP-GFCCVEGCSA-N	411.424	3.567	10	20	HHCD	
COc1ccc(-c2csc(NS(=O)(=O)c3c(C)nn(C)c3C)n2)cc1Cl	216142573	XPJYUJULJXSWDJ-UHFFFAOYSA-N	412.924	3.623	10	20	HHCD	
COc1cccc(N2CC[C@H](CNC(=O)NCc3c(C)c4ccccc4n3C)C2)c1	471823741	YVRUWKPNMYIXSW-GOSISDBHSA-N	406.530	3.821	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1nnc(Cc2ccccc2F)s1	542024656	WSFMEIIXPWDZIH-UHFFFAOYSA-N	413.478	3.765	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc21	726250080	RMTXXYMHJRIESA-SFHVURJKSA-N	416.566	3.515	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	727177257	YIIBKOMYGWQYBZ-YRNVUSSQSA-N	403.367	3.831	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1	728977896	HAXXCFGOPNOKHC-ZDUSSCGKSA-N	414.483	3.936	10	20	HHCD	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CN4CCN(C)CC4)n3)c2C)cc1	732262738	XSRAJHXIERQIBI-UHFFFAOYSA-N	423.586	3.712	10	20	HHCD	
CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCc3cc(OC)ccc3O)ccc21	734063930	UBLLVMIOMVYXFW-UHFFFAOYSA-N	424.501	3.546	10	20	HHCD	
CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1	734669758	ZZDWUJAIHSWRAN-QHCPKHFHSA-N	414.594	3.774	10	20	HHCD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	735762910	SEWISXSABPHIGY-FBBABVLZSA-N	404.551	3.924	10	20	HHCD	
CCc1ccc([C@@H]2COCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1	736380980	SUVINLJQYMIFOQ-UTKZUKDTSA-N	413.518	3.523	10	20	HHCD	
C[C@@H]1CSCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	737713300	WKGZWZAXRYDNKH-HLVNSREUSA-N	412.627	3.693	10	20	HHCD	
CN(C)c1ccc(CN[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1F	738440607	WGNXWYLCAOSTLJ-HSZRJFAPSA-N	405.517	3.909	10	20	HHCD	
O=[N+]([O-])c1c(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2sccn12	742423159	DALKDXBCGXAEDV-LLVKDONJSA-N	409.418	3.986	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)cc2F)C[C@@H](C)O1	742769283	BULYHVYFGKZCDV-VVZMZAKNSA-N	415.484	3.934	10	20	HHCD	
Cc1nc(S)sc1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800986	OIYHKIQMXPZRHM-GFCCVEGCSA-N	413.515	3.669	10	20	HHCD	
CCC(CC)c1cc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)on1	743554526	HFARPLQPNUPILH-UHFFFAOYSA-N	404.486	3.553	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Oc1ccc(F)cc1	745891891	HWAHEYPOHYFPCK-UZLBHIALSA-N	402.466	3.689	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cccc4ccccc34)cc2)C1	746221385	DHVTYLIQIWHNIG-OAQYLSRUSA-N	416.525	3.541	10	20	HHCD	
O=C(NCCCc1ccc(Cl)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	749419960	NDIKRFLJODXUJL-UHFFFAOYSA-N	415.965	3.981	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(C[C@@H]4CCOC4)CC3)c2C)cc1C	749853214	WATOYKSDNGDZCT-QFIPXVFZSA-N	409.574	3.548	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)NCCCC3CCCCC3)cs2)cc1	751930052	FTBZGGZFYVUBPC-UHFFFAOYSA-N	415.559	3.950	10	20	HHCD	
CCOCCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCOC1	752840211	QERMQIOBJSSJIF-HXUWFJFHSA-N	423.561	3.862	10	20	HHCD	
C[C@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	755295314	DFJKUIRYKAIUKD-CYBMUJFWSA-N	405.436	3.707	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(F)cc(F)c1O	756362161	JAEISQYTLPMPGU-AWEZNQCLSA-N	410.486	3.696	10	20	HHCD	
C[C@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(Cl)ccc1O	756732134	GIOZUUZJXHQXSJ-HNNXBMFYSA-N	408.951	3.691	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccnc(Br)c2)cc1	757639480	SIEHSOMATCJCPK-SFHVURJKSA-N	418.335	3.732	10	20	HHCD	
Cc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)n1[C@H]1CCC[C@@H](C)C1	758161873	DCLJVRZDPMORPF-BEFAXECRSA-N	401.580	3.812	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1cc2c(cc1Br)OCCCO2	759594879	NLJINNGECKIVDD-HWKANZROSA-N	421.243	3.778	10	20	HHCD	
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCCCSc1nccs1	759602883	NPSMBFBDUCIQQV-SFHVURJKSA-N	404.605	3.789	10	20	HHCD	
Cc1noc(C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)c2ccccc2)n1	759875593	OSZVIJKUUAWTJZ-FQEVSTJZSA-N	406.486	3.746	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(I)c2C)c1	761542494	RBFBUYJZAGBUER-LLVKDONJSA-N	411.239	3.805	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1	763583101	ORTIVOHGJJVFNO-OLZOCXBDSA-N	407.873	3.832	10	20	HHCD	
COc1cc(OC)cc(OCCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	764375223	WRRJBTZFACBYKF-UHFFFAOYSA-N	413.518	3.523	10	20	HHCD	
C[C@@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(N(C)C)cc1	764817416	PFNYNQHKIKBEAB-GOSISDBHSA-N	401.576	3.778	10	20	HHCD	
CC(=O)CCc1ccc(OCCC(=O)NCc2cccc(Br)c2O)cc1	765735229	FEPOHOJIIFXHAJ-UHFFFAOYSA-N	420.303	3.762	10	20	HHCD	
CCC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(OC)cc1	765977329	FQBSMUKNNCSPFQ-JOCHJYFZSA-N	402.560	3.561	10	20	HHCD	
CCOc1ccc(CN(C)CC(=O)Nc2ccc(Br)cc2C)c(O)c1	768181514	XDVBWQCHFXTRSS-UHFFFAOYSA-N	407.308	3.932	10	20	HHCD	
CC[C@@H](C)[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F	772538411	QZTHLIMPMZLXMT-KDOFPFPSSA-N	401.473	3.672	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCC(c2ccccc2)c2ccccc2)cc1	774735624	VOVYVGUTOCVIHG-UHFFFAOYSA-N	415.537	3.707	10	20	HHCD	
CC[C@@H](NCc1cccnc1N1CCN(C)CC1)c1cc(Br)ccc1O	775489744	RLRRKEBJBJSYDZ-GOSISDBHSA-N	419.367	3.542	10	20	HHCD	
OCC1(CNCc2cc(Br)cc(Br)c2O)CCCCC1	776232952	ZRTFBTSTJFKMFL-UHFFFAOYSA-N	407.146	3.950	10	20	HHCD	
CC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCN(C(=O)OC(C)(C)C)CC1	779525437	QMHZDJGRXIMHAH-UHFFFAOYSA-N	416.566	3.876	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)c1cccc(OCc2ccccc2)c1	779532814	SWCUEOQGTVNRSH-JBOJMBJVSA-N	405.450	3.540	10	20	HHCD	
O=[N+]([O-])c1ccc(CCS(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1	779898133	ADYGHUAWPYKPFV-UHFFFAOYSA-N	404.488	3.618	10	20	HHCD	
CCOC(=O)c1sc2nc(C)nc(N[C@@H](C)Cc3ccc(O)c(O)c3)c2c1C	782042261	NVBZRVZGDFURMN-JTQLQIEISA-N	401.488	3.939	10	20	HHCD	
C[C@@H](NC(=O)c1cnc(OCC2CC2)c(Cl)c1)c1ccc(N2CCOCC2)cc1	783932877	GOXHCPJHHMMZFP-OAHLLOKOSA-N	415.921	3.851	10	20	HHCD	
COc1cc(F)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1OC	784059595	PAOLADRLUGEFMN-UHFFFAOYSA-N	415.465	3.730	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1	788966418	UKAMPBRAFWNJCP-OAHLLOKOSA-N	403.473	3.647	10	20	HHCD	
Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(-c2ccoc2)n1	789960804	FYGLTHWJNYKUJM-OAHLLOKOSA-N	416.428	3.680	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CCN(CC(F)(F)F)C2)cc1	791577891	PHXVKTWKOBHEKI-AWEZNQCLSA-N	411.390	3.528	10	20	HHCD	
COc1ccc(CCC(=O)N2CCCN(Cc3c(O)ccc(Cl)c3F)CC2)cc1	792166318	VTTOKXWUTFUHLL-UHFFFAOYSA-N	420.912	3.860	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNCc3c(F)cccc3Br)cc2)C1	793044914	VXQVVUUWXQKNPZ-OAHLLOKOSA-N	420.326	3.580	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2N)cc1F	796307766	MLWQWMLQVRUBDO-UHFFFAOYSA-N	409.509	3.737	10	20	HHCD	
CCn1ccnc1[C@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1	797429870	DGJCQMIUOKMMQZ-HXUWFJFHSA-N	413.591	3.893	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)cc1	799886408	ZTASNXIOWZVFGO-LJQANCHMSA-N	410.562	3.894	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c(C)n1	800636779	NIZSAJNJWKDFHI-AWEZNQCLSA-N	414.937	3.843	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccccc3Oc3cnn(C)c3)c2)CC1	800941826	DGCLYTDFAOZZIE-UHFFFAOYSA-N	405.502	3.607	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)n2)c(C)o1	806846509	QZEJHTQOJIXPCC-UHFFFAOYSA-N	412.515	3.683	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4cc(C)ccc4s3)cc2)CC1	810696041	MXLFSTODLNJKLW-UHFFFAOYSA-N	407.539	3.808	10	20	HHCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)ccc21	857442768	SVUJLGDXUVCXLT-NRFANRHFSA-N	413.512	3.843	10	20	HHCD	
O=S(=O)(c1ccc(NNC(=S)Nc2cccc(Cl)c2)cc1)C(F)(F)F	914704280	XBBDXYMTZLJRLA-UHFFFAOYSA-N	409.842	3.947	10	20	HHCD	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)c1ccc(O)c(O)c1	916590066	DTBQWLOEONUWPT-UHFFFAOYSA-N	405.765	3.893	10	20	HHCD	
Cc1nnc(COC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1C	917953099	RMFWCBAWKUWQDH-UHFFFAOYSA-N	403.280	3.651	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1Br	919968245	IBBBHLKOMADVQH-UHFFFAOYSA-N	403.320	3.588	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC[C@@H]3Cn3cnc4ccccc43)cc2F)CC1	1117644822	VMOBMWVJURXNBI-HXUWFJFHSA-N	407.537	3.592	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](CC)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	1320262636	XMVUYWFUGSYACF-IBGZPJMESA-N	411.502	3.911	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@@H]3C[C@@H](C)c4c(C)ccc(O)c43)C2=O)c(OC)c1	1322711538	WNWXXXRCIIYQGJ-AYOQOUSVSA-N	410.514	3.657	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3n[nH]cc3Br)cc2Cl)C1	1351934980	LSKDLTQPZUPSQX-NSHDSACASA-N	411.731	3.992	10	20	HHCD	
C/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1831334055	DUIUTNGJPWIHLX-RTZWDOBSSA-N	406.910	3.561	10	20	HHCD	
CCc1cccc(C)c1NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	6713758	MUMPMWBWQZAKCQ-UHFFFAOYSA-N	413.518	3.937	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(-c2ccc(Br)cc2)c1	44915638	ZBPUGMCZUFBVEY-UHFFFAOYSA-N	413.319	3.973	10	20	HHCD	
CCCOc1c(Cl)cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC	54285244	IJLHOTKQDCGRCE-UHFFFAOYSA-N	418.921	3.904	10	20	HHCD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	57376900	GWOUXTYZCQSZIO-GJZGRUSLSA-N	416.541	3.938	10	20	HHCD	
CCOc1ccccc1N1C[C@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1=O	105175641	LBAQRHKEQNZTGS-LJQANCHMSA-N	409.530	3.553	10	20	HHCD	
CCCN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1ccccc1O	110078762	KIHWHABAQVLSPV-UHFFFAOYSA-N	421.497	3.766	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3c[nH]nc3-c3ccc(F)cc3)CC2)cc1	237273545	JGATZBSQUZWPAZ-UHFFFAOYSA-N	423.536	3.526	10	20	HHCD	
O=C(NC1CC1)c1cc(NCc2ccc(N3CCOCC3)cc2)nc2ccccc12	301074056	GECGAJKAUNTROK-UHFFFAOYSA-N	402.498	3.576	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1)C1CCCCC1	303061657	LYUHVFISDDZUJM-DENIHFKCSA-N	401.576	3.526	10	20	HHCD	
CSC[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C	303744745	JNTBWPRELDPCGT-GOSISDBHSA-N	411.365	3.700	10	20	HHCD	
COC(=O)CSCc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1	542953214	BZCNECLSVSDNOU-UHFFFAOYSA-N	415.515	3.590	10	20	HHCD	
O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc(Cl)nc1	727178365	VZPSZOGSBUZMQG-WJDWOHSUSA-N	417.943	3.977	10	20	HHCD	
CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)cc3)sc2C)s1	727249513	YZQVKGZHFJRHMX-UHFFFAOYSA-N	421.569	3.925	10	20	HHCD	
COc1cccc(CNC(=O)CCc2nc3ccccc3n2-c2ccccc2)c1O	729861288	KGIMDPQIIZDKBX-UHFFFAOYSA-N	401.466	3.989	10	20	HHCD	
Cc1cc(CC(=O)N2CCc3ccccc3[C@@H]2C(N)=O)c(C)n1-c1ccc(Cl)cc1	730792724	IQRUWNYARRQICC-HSZRJFAPSA-N	421.928	3.901	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(-c2cccc3cnccc23)c1C	731184654	HIRJOMWUOBFOBM-UHFFFAOYSA-N	414.513	3.852	10	20	HHCD	
Cc1ccccc1-n1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cn1	732634412	BCXYKCVLJZJSDO-HDICACEKSA-N	422.504	3.863	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN[C@H]2CCN(C3CCN(C)CC3)C2)cc1	732823138	VUKUVQHSSSXTHE-DEOSSOPVSA-N	406.618	3.971	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCCc3ccc(O)cc3)cc2F)C[C@@H](C)O1	735758521	KVCMTJRKSGYHOG-IAGOWNOFSA-N	415.509	3.577	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1C	736329807	MSJREAVPXKVGGX-UHFFFAOYSA-N	403.548	3.619	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ncc(-c2ccccc2)o1	740029780	BOHZZGNMTMJUIF-INIZCTEOSA-N	424.476	3.878	10	20	HHCD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805065	FQUSIGNPHKZCLZ-MDOVXXIYSA-N	418.440	3.602	10	20	HHCD	
O=C(Nc1ccn(Cc2ccccn2)n1)N(Cc1ccco1)Cc1ccccc1O	743167477	NIYMCKLZLLGJOK-UHFFFAOYSA-N	403.442	3.859	10	20	HHCD	
O=C(NCCCNc1ccc(C(F)(F)F)cn1)NCc1c(O)ccc2c1CCCC2	743550543	CBFHEENCIFFQCD-UHFFFAOYSA-N	422.451	3.986	10	20	HHCD	
CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	745824886	MFTZVXQYFZUTNM-PKOBYXMFSA-N	401.551	3.884	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(CCc2ccccc2)C2CC2)c1	746025673	KKRCVBXLURLVAF-UHFFFAOYSA-N	408.542	3.634	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)CC1	746238035	RQLURQQZRGHBJF-UHFFFAOYSA-N	407.558	3.814	10	20	HHCD	
Cc1ccccc1[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746769224	GCJJLTGBKSCERB-OXQOHEQNSA-N	419.472	3.598	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cccc(CS(C)(=O)=O)c2)c1	749617021	OCADBPUXMGGLOV-UHFFFAOYSA-N	410.539	3.877	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](c3ccccc3)c3ccc(F)cn3)cc2)C1	753624453	JPQRSKRWAOROOI-HYBUGGRVSA-N	418.516	3.802	10	20	HHCD	
COc1cc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c(C(C)(C)C)c1	754727284	VRICMPJHRGYYNR-UHFFFAOYSA-N	400.494	3.795	10	20	HHCD	
C[C@@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1cc(Cl)ccc1O	756548698	CHHRDTQZWBCAEZ-CRAIPNDOSA-N	401.938	3.594	10	20	HHCD	
COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)c2ccc(C)cc2O)c1	756565164	YHPJDALOEAIUPD-AWEZNQCLSA-N	421.335	3.942	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccccc2Br)C1)c1cc([N+](=O)[O-])ccc1O	756570795	XWZJUYDQCFRFHX-CHWSQXEVSA-N	406.280	3.992	10	20	HHCD	
CCn1cc(CN[C@H](C)c2cc(Br)cc(Br)c2O)cn1	756732097	FIHNHMPQWBNXDA-SECBINFHSA-N	403.118	3.984	10	20	HHCD	
O=C(NCc1cc(Cl)cc2c1OCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1	758695811	PJKSFWBMTSYELK-IBGZPJMESA-N	416.905	3.871	10	20	HHCD	
CCCc1cc(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)sc1C	759220951	LCNLWBSEVGOGDI-UHFFFAOYSA-N	418.559	3.997	10	20	HHCD	
CSCc1ccccc1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	760084343	IZFRUAHEBZPGQY-QGZVFWFLSA-N	412.559	3.573	10	20	HHCD	
CCN(CC)c1ccc(CN2C(=O)N[C@H](c3ccc(OC)c(Cl)c3)C2=O)cc1	761088225	BYZXIZSBGFCWCD-LJQANCHMSA-N	401.894	3.988	10	20	HHCD	
C[C@H](c1cccc(-n2cccn2)c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761321349	PSQZCCKCJXTVJW-CQSZACIVSA-N	410.861	3.757	10	20	HHCD	
O=C1N[C@H](c2ccccc2F)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761635153	KBQWITZAVCOQGY-KBXCAEBGSA-N	419.403	3.689	10	20	HHCD	
CC(=O)Nc1c(C)cccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761983415	RLOLTVDZOPZBRV-GOSISDBHSA-N	415.921	3.707	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2cccs2)n(-c2ccccc2)n1	762267334	DXQQBCRHWLLEHS-UHFFFAOYSA-N	405.479	3.985	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)c3cc(OC)cc(OC)c3)c2C)cc1	762320478	BVVUTXIPKMXKJR-HSZRJFAPSA-N	424.497	3.583	10	20	HHCD	
COc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccon2)C1=O	764419074	XBJSNYYIGRVXEN-QPEQYQDCSA-N	411.302	3.847	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)c1	764998483	BUJCOPVNWJSTFI-SCLBCKFNSA-N	419.319	3.928	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1NC(=O)NCc1cccc(Br)c1O	765281333	NDQXXZJZUHBDCS-UHFFFAOYSA-N	401.264	3.971	10	20	HHCD	
C[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(N2CCCCC2)c(F)c1	765347615	DSSORYFGQSGHRE-GOSISDBHSA-N	419.566	3.586	10	20	HHCD	
Cc1cc(C(=O)NCc2cccc(Br)c2O)c(C)n1-c1ccccn1	765735970	JMUZVGYNUIHRMV-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
CN(C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1)C(=O)OC(C)(C)C	768916689	VLIXGMKNOPUTEF-HXUWFJFHSA-N	403.567	3.602	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](c1cccc(F)c1)c1cnn(C)c1	769233888	RFOLSYRAWDOQNQ-QHCPKHFHSA-N	412.484	3.756	10	20	HHCD	
CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)o1	769906987	UQZZPPANQRPJFY-KRWDZBQOSA-N	406.504	3.677	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2Cc3ccccc3C(F)(F)C2)c1	771168946	AVDIOFKTEMUZKO-UHFFFAOYSA-N	416.468	3.535	10	20	HHCD	
CCC(=O)c1cccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1	771518837	ALHJJLHWKMIAHP-UHFFFAOYSA-N	424.545	3.622	10	20	HHCD	
C[C@H](NC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	773614959	VKVIVRULHNAWGE-INIZCTEOSA-N	404.555	3.760	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(C)n1-c1cccc(C(C)C)c1	775574902	ACMVMIFWFQFZOU-IRLDBZIGSA-N	411.546	3.583	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC[C@@H](N2CCCC2)C1	775658735	PSIOGCQCJCSBPL-CQSZACIVSA-N	418.173	3.977	10	20	HHCD	
C[C@H](NC(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	777636980	FDTPGJOWZGPGAQ-INIZCTEOSA-N	402.539	3.680	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc(OCC(F)F)ccn2)cc1	777981236	LDNLJSWREFMNEX-UHFFFAOYSA-N	417.378	3.996	10	20	HHCD	
O=C(COc1ccc2ccccc2c1Br)NCc1ccc(O)c(O)c1	778925585	KMNTUHQWCPAKLN-UHFFFAOYSA-N	402.244	3.709	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	779353149	UHWPDBVVFYKINN-SJLPKXTDSA-N	404.555	3.506	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3cc4ccccc4o3)CC2)cc1F	780885400	ANDKKVMKTRAVEP-UHFFFAOYSA-N	420.444	3.933	10	20	HHCD	
COc1cc(C(=O)NCCCSc2nccs2)cc(Br)c1OC	786159078	LHRXXZBSFRKTOB-UHFFFAOYSA-N	417.350	3.835	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(Cl)c3Cl)cc2)CC1	786259199	MJKSLQOGPRSYEB-UHFFFAOYSA-N	406.313	3.592	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(C)c1	787298956	QIDRUVWTQGEABD-UHFFFAOYSA-N	419.525	3.808	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1	789836116	LWGFZFVNBUUISP-INIZCTEOSA-N	411.502	3.867	10	20	HHCD	
COc1ccc(CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)c(O)c1	795283596	DJOJTBUSUPRKDJ-UHFFFAOYSA-N	404.220	3.654	10	20	HHCD	
Cc1ccc(-c2ccnn2C)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	799240845	LEMIJDUJNIQIDI-UHFFFAOYSA-N	423.492	3.693	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Oc2ccccc2)cn1	799317084	VXFTWLGSKNOSBV-UHFFFAOYSA-N	407.445	3.780	10	20	HHCD	
C[C@@H](NC(=O)CCc1ccccc1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	799530769	NLDYEPACMPTACO-HXUWFJFHSA-N	407.558	3.773	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cn1	799636448	PHSVAAJYDITUAZ-UHFFFAOYSA-N	413.427	3.616	10	20	HHCD	
Cc1nc(C)c(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c(O)n1	800570565	RRSHJJXAVDXHCW-ZDUSSCGKSA-N	402.926	3.548	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1	800912421	WHYFYPZVGNFNRG-GOSISDBHSA-N	404.555	3.587	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](COC)O[C@H](C)C1	801862420	QXULORVDZZKHPJ-XLIONFOSSA-N	409.534	3.613	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1OC(C)C	807386589	BFZHISKJMGPYER-UHFFFAOYSA-N	421.291	3.505	10	20	HHCD	
C[C@H](NC(=O)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1)c1ccc(N(C)C)cc1	807678043	UMVCZXYQASCBBC-PXNSSMCTSA-N	418.541	3.817	10	20	HHCD	
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(Cl)cc(Cl)c1O	807837975	IBWPSUDBDSDOTL-GOSISDBHSA-N	420.296	3.544	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1c1ncnc2sccc12	807839208	ZBURECRXPCAURP-AWEZNQCLSA-N	423.325	3.989	10	20	HHCD	
CS(=O)(=O)CC[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1	807840098	YGWRQTXDWNDRMD-OAHLLOKOSA-N	416.326	3.534	10	20	HHCD	
Cc1cc(Cl)cc([C@@H](C)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)c1O	808712745	BCPWGBAYANKWTM-CYBMUJFWSA-N	412.914	3.884	10	20	HHCD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	810391691	GYDWMNLLSXPEPB-UHFFFAOYSA-N	412.490	3.599	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1	813070773	LKZBMKQALJRORW-SAZUREKKSA-N	405.292	3.909	10	20	HHCD	
O=S(=O)(NCCN[C@@H](CCc1ccccc1)c1ccccc1O)c1ccccc1	815569370	QHYJSFXXZKBPEU-QFIPXVFZSA-N	410.539	3.634	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1cccc(Cl)c1)c2[N+](=O)[O-]	821700857	APGFIZFCDQKQHL-UHFFFAOYSA-N	420.808	3.954	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@H](NC(N)=O)c2ccccc2)cc1	914491649	OILJKAQHEPHNKT-QFIPXVFZSA-N	420.513	3.674	10	20	HHCD	
Cc1ccc(C)c(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	917405985	VIRUCQOTLMGYIP-OALUTQOASA-N	413.537	3.809	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(O)nc4ccccc34)cc2F)C[C@@H](C)O1	917708471	BYCAWJYMYQOZEP-GASCZTMLSA-N	409.461	3.623	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2F)C[C@@H](C)O1	917708594	CPAAFAPZHZSGAD-DRQKWEJCSA-N	413.449	3.677	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc3c(c2)OCO3)cc1	918777326	IYAKEMAAPCTCEA-UHFFFAOYSA-N	407.470	3.986	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cccc3c2OCO3)cc1	919655055	QJUSSXZIODIJIW-UHFFFAOYSA-N	407.470	3.986	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1c(F)cccc1Br)c1ccc(N(C)C)cc1	1338271480	CMKTVCWGDTYBKA-LLVKDONJSA-N	401.301	3.694	10	20	HHCD	
O=C(CC1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1	1800715614	WCCSXPNXIPDSMS-MUJYYYPQSA-N	406.910	3.583	10	20	HHCD	
COCC(=O)N1CCCC2(CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)C1	1809195119	YUAJZZBRQNCNFR-UHFFFAOYSA-N	423.557	3.585	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)Nc3c(C)nn(C)c3C)c2C)c1	7370776	IHZUBTIPHKVWOM-GOSISDBHSA-N	408.502	3.937	10	20	HHCD	
Cc1cc(C(=O)OCC(=O)N2CCCC2)c(C)n1-c1ccc(Br)cc1	14365225	LCCREUMOSRKDDP-UHFFFAOYSA-N	405.292	3.636	10	20	HHCD	
O=S(=O)(c1cccc2nsnc12)N(Cc1cccnc1)c1ccc(F)cc1	56123505	WYTWUUOEBMSXSP-UHFFFAOYSA-N	400.460	3.621	10	20	HHCD	
CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	65222487	CJNNZQZPSKVRIE-INIZCTEOSA-N	413.543	3.748	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCOCC2)cc1	65434293	MCAGGXQPHULEDD-LJQANCHMSA-N	408.546	3.684	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1oc2ccccc2c1CS(C)(=O)=O	110346416	YMKPYQNHGMKJRT-UHFFFAOYSA-N	414.527	3.706	10	20	HHCD	
Cc1c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)n(C)c2ccccc12	473268001	GQEOMDVQIIOGIV-CUWPLCDZSA-N	403.530	3.731	10	20	HHCD	
O=C(Nc1c(C2=S=CC=C2)nc2ccccn12)c1ccc(C(=O)c2cc[nH]c2)cc1	565742724	DGJFVFXJINXULU-UHFFFAOYSA-N	412.474	3.771	10	20	HHCD	
CN(C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)Cc1ccccc1	726088109	ZKAZEGSAJOYNDK-OAQYLSRUSA-N	407.514	3.870	10	20	HHCD	
Cc1noc(C)c1CN(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726721236	BSUIPAZDMPHVIE-UHFFFAOYSA-N	408.449	3.703	10	20	HHCD	
Cc1noc(CCCNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n1	727398722	DKFQWNPRQRUIQV-UHFFFAOYSA-N	417.307	3.911	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCOc2ccccc21	728178182	CPOXEGAYDACMQW-SFHVURJKSA-N	420.431	3.725	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)c1	731285545	ZXEKRIVPLONMJB-KRWDZBQOSA-N	419.566	3.575	10	20	HHCD	
COc1ccc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl	732917173	FZLJPZOVRWAIGA-MAUKXSAKSA-N	401.938	3.901	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1	733884807	ZESRCUMGPCFJND-OAHLLOKOSA-N	404.561	3.686	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(N2CCCS2(=O)=O)cc1Cl	736004670	NLXRSFHNDRXQAB-UHFFFAOYSA-N	419.934	3.732	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(C)n1-c1ccc(C(C)C)cc1	736270618	LGFXKGNEPJKIPI-FUHWJXTLSA-N	402.560	3.865	10	20	HHCD	
FC(F)Oc1ccc(N2CCC[C@@H](NC(=S)NCCc3ccccc3)C2)cc1	743016619	YGDYKJZHCOBJEI-QGZVFWFLSA-N	405.514	3.964	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCCc1nc(C2CC2)no1	743809037	KMSPJXHIEPEJTL-UHFFFAOYSA-N	408.296	3.787	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cn(Cc3cccs3)nn2)cc1	744363556	FGRBTPRTIVXRNB-UHFFFAOYSA-N	423.464	3.659	10	20	HHCD	
C[C@H]1CCCCN1CCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745334696	XULFVSLWPQBZOX-ZWKOTPCHSA-N	424.536	3.821	10	20	HHCD	
CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	745648060	NUIOAVGPRMPWHE-FQEVSTJZSA-N	413.537	3.950	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C	745801785	NLPYQYDTLNBUEF-KRWDZBQOSA-N	408.546	3.953	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3cc4ccccc4[nH]3)cc2F)C[C@@H](C)O1	746724534	NDIUREHVHHVPOR-IYBDPMFKSA-N	410.493	3.920	10	20	HHCD	
CCCOc1ccc(Br)cc1/C=C1/SC(N2CCOCC2)=NC1=O	747147986	LXMPUAZOQOGOPT-RVDMUPIBSA-N	411.321	3.540	10	20	HHCD	
CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1	748864595	DAXXRDVVBPVPGQ-UHFFFAOYSA-N	422.553	3.577	10	20	HHCD	
Cc1cc(C(=O)NCCNC(=O)C(C)(C)C)c(C)n1-c1cccc(Br)c1	749628405	NXLQIIISPBRLAH-UHFFFAOYSA-N	420.351	3.749	10	20	HHCD	
CCn1cnnc1-c1ccccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	750598219	KXWXYVFJWNYCQV-GOSISDBHSA-N	421.501	3.884	10	20	HHCD	
CC(C)[C@H]1C[C@H](NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CS1	754126269	ZINULWOWNAKLPI-GHTZIAJQSA-N	415.582	3.562	10	20	HHCD	
Cc1ccc([C@@H](CN[C@@H](C)c2ccc(Br)cc2O)N2CCOCC2)o1	756362867	DMRDWYGLHRQNKU-WMLDXEAASA-N	409.324	3.780	10	20	HHCD	
C[C@H](N[C@H](C)CC[S@@](C)=O)c1cc(Br)cc(Br)c1O	756741592	HAXMSCSDUCGQNE-BLBZPCKPSA-N	413.175	3.725	10	20	HHCD	
C[C@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)cc(F)c1O	756783998	JSDNINPBUFVRAT-ZFWWWQNUSA-N	421.310	3.993	10	20	HHCD	
Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1C	758784438	GNIDNNOMNJTBFV-UHFFFAOYSA-N	400.544	3.627	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnc3nccnc3c2)c(C)n1-c1cccc(F)c1	759807606	RXXAGJNHMIIQES-UHFFFAOYSA-N	404.401	3.611	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@@](C)(c4ccccc4)C3)CC2)cc1	760166087	OZJFHNPDJUFKQE-XMMPIXPASA-N	409.530	3.621	10	20	HHCD	
COc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccc1OC(C)C	760998511	FOMXKINKSRWOIA-UHFFFAOYSA-N	418.877	3.806	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](C[C@H]1CCOC1)c1ccccc1	761682226	HUJZTQKXHICGAB-BEFAXECRSA-N	414.889	3.978	10	20	HHCD	
CCC1(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCOCC1	761932211	MCRPQVVBFBYNLJ-SQFISAMPSA-N	424.613	3.805	10	20	HHCD	
C[C@H](NC(=O)NCCC1CC(OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1	763223405	ZTYFFYTXAWGCIF-XPQZIERPSA-N	403.567	3.867	10	20	HHCD	
Cc1nnc(-c2ccccc2C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)o1	764923469	BQBMOMGJLRKRBY-GASCZTMLSA-N	424.476	3.728	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCc2cccnc21	766638818	YRQXLNSDGJGTEQ-IBGZPJMESA-N	401.457	3.888	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1	768203089	YUJARFREFCSFHY-KRWDZBQOSA-N	421.557	3.788	10	20	HHCD	
O=C(Cc1c[nH]c2cc(F)ccc12)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	768913209	WQYGMOYMQSWKJS-SFHVURJKSA-N	415.896	3.989	10	20	HHCD	
CCOc1ccc(O)c(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c1	769192106	YCSJLTFGGHCLOG-UHFFFAOYSA-N	419.319	3.511	10	20	HHCD	
Cc1cc(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	769732686	IDHBSECXVZBWRQ-SFHVURJKSA-N	408.951	3.787	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	771437734	YIORBUQXLXOHIN-BUVFEPMLSA-N	416.493	3.998	10	20	HHCD	
Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2C)c1	773858511	QSXJQWUUPNPFOY-QGZVFWFLSA-N	419.529	3.679	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](c3ccccc3Br)C2)c1O	774865912	ZNNGQPHVBIQEGV-MRXNPFEDSA-N	423.263	3.645	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNCCCc3c(F)cccc3Cl)cc2)C1	775050431	INSUGKVWRTWFDK-QGZVFWFLSA-N	403.929	3.903	10	20	HHCD	
CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1cnn(C)c1	777302497	RAXZFZREEOJQBB-PMACEKPBSA-N	401.555	3.793	10	20	HHCD	
COc1ccccc1N1CC[C@H](N[C@H](C)c2cc(Br)cc(C)c2O)C1=O	779036114	LOKIQYXXNHPCIS-CJNGLKHVSA-N	419.319	3.928	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3cnn(Cc4ccc(F)cc4)c3)SC2=S)cn1	780142563	GSMUTJLGFHHUSP-REZTVBANSA-N	413.503	3.693	10	20	HHCD	
CC(=O)Nc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1C	784060296	CHKWDEXAVYOXSW-UHFFFAOYSA-N	408.502	3.840	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)cc1	784110561	CXMNZODQOJRMMW-UHFFFAOYSA-N	421.476	3.756	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1cn(-c2ccccc2)nn1	784671321	LMYOCEQZWKBDRE-AWEZNQCLSA-N	405.483	3.815	10	20	HHCD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	785295044	QAGALZLCWCCNBP-AWEZNQCLSA-N	416.543	3.983	10	20	HHCD	
O=C(COC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(O)c(O)c1	785419054	FYXHFEZDKVNDLS-UHFFFAOYSA-N	400.390	3.748	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3oc4c(C)cccc4c3C)cc2)CC1	786260528	YIWXIGDJNPCPSC-UHFFFAOYSA-N	405.498	3.648	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCc4c(O)cccc43)cc2F)C[C@@H](C)O1	789743411	VPUKPCNMIRMQQV-GQIGUUNPSA-N	412.505	3.881	10	20	HHCD	
CCn1ccc(CN(C)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	790284687	WIADMXXJBZKHOT-UHFFFAOYSA-N	406.477	3.920	10	20	HHCD	
C[C@]1(C2CC2)NC(=O)N(c2cccc(CNCc3c(O)ccc(Cl)c3F)c2)C1=O	790612126	VPTYKBUVEOWQEO-OAQYLSRUSA-N	417.868	3.699	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2C	799245418	CAYKCEIILOTCFD-UHFFFAOYSA-N	408.502	3.696	10	20	HHCD	
COc1ccc(CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC2CC2)c(OC)c1	800544281	BTZHQZSCGYJJQK-UHFFFAOYSA-N	402.447	3.738	10	20	HHCD	
Cc1ccc(C2=NO[C@H](CNC(=O)NCc3ccc(N4CCSCC4)cc3)C2)cc1	800701258	XRGRDDSYSGFCDB-NRFANRHFSA-N	424.570	3.541	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)N(Cc1ccccc1)CC1CCC1	806277991	MRICCBIBPIFMLK-UHFFFAOYSA-N	403.573	3.570	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)c1	806885645	HAAXEBPDCBIYIC-LLVKDONJSA-N	417.512	3.710	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1c(F)cccc1OC	807621638	HHKPXVIIZVDBDT-HNNXBMFYSA-N	402.466	3.546	10	20	HHCD	
CN(CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(N2CCOCC2)cc1	813735266	FSMKFZHVSBWSPD-DEOSSOPVSA-N	407.558	3.539	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	917087004	SCQBFENGMSYUAQ-CHWSQXEVSA-N	404.398	3.868	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(Cn4cccn4)cc3)CC2)cc1	921117990	IWEWFWNQSBFHLW-UHFFFAOYSA-N	405.502	3.684	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCN4CCC[C@@H]4C3)cc2Cl)C1	1256619247	AMGVKFIQKUZGCT-IEBWSBKVSA-N	404.986	3.956	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCN3C(=O)COc4ccccc43)c2C)c1	1318211956	WKUCRULLETVSKN-UHFFFAOYSA-N	403.482	3.558	10	20	HHCD	
O=C(NCCOc1ccc2c(c1)CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1	1319300957	JEVAYXLNULEGON-JOCHJYFZSA-N	410.514	3.651	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cnc(Oc4ccccc4)cn3)CC2)cc1	1319894938	JYETWPJOUDOCIY-UHFFFAOYSA-N	404.470	3.630	10	20	HHCD	
CCOc1ccc(-c2noc(CN3CCN(c4ccc(OCC)cc4)CC3)n2)cc1	1320024039	RAYHQHYDGNPGGP-UHFFFAOYSA-N	408.502	3.856	10	20	HHCD	
CC1=CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)CC1	1797694909	KYIMALVOOJTYIW-LLLHUVSDSA-N	418.921	3.749	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H]2C[C@H]2C2CC2)C3)cc1	1845397761	PUZRJOQSYYLWSZ-GOTSBHOMSA-N	417.553	3.957	10	20	HHCD	
Cn1c(S)nc2cc(C(=O)Nc3cccc(N4CCCCCC4)c3)ccc2c1=O	303859871	PLDHCFVTENJSHW-UHFFFAOYSA-N	408.527	3.855	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2noc(C(F)F)n2)cc1	538388492	DAHUKPCFPKYXMS-UHFFFAOYSA-N	400.385	3.779	10	20	HHCD	
Cc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1C(=O)N1CCCC1	543849368	XWCUGLWTWKAJHZ-UHFFFAOYSA-N	408.502	3.728	10	20	HHCD	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(CCc2ccccn2)C1=O	726196832	CZAFRHLPTVITGL-WQRHYEAKSA-N	416.524	3.551	10	20	HHCD	
COc1ccccc1OCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	729611559	QOZZYNTZDKOESL-LJQANCHMSA-N	414.502	3.561	10	20	HHCD	
CO[C@](C)(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1	730174821	OXTAKVGGGFFVES-QQMNAOGKSA-N	400.494	3.617	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc(C)c1OC(F)F	730749839	UXDLFWPUEWTUDB-UHFFFAOYSA-N	408.420	3.811	10	20	HHCD	
Cc1cccc(COc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3O)c2)c1	732477742	FQDXTBYJNIWTJD-UHFFFAOYSA-N	404.466	3.877	10	20	HHCD	
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	738300609	YWFRCBBXVDUOFV-GOSISDBHSA-N	415.965	3.828	10	20	HHCD	
CC(C)C(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1	742284336	WEGLALIEVRYHEV-UHFFFAOYSA-N	400.544	3.994	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc(OC)c(Cl)c3)CC2)cc1	742366869	YNPUPWDCYZYJSU-UHFFFAOYSA-N	403.954	3.659	10	20	HHCD	
O=C(C[C@@H]1OC(=O)c2ccccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742804982	DFDXHSLNPMOCCC-KUHUBIRLSA-N	416.424	3.675	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCOC4(CCCCC4)C3)cc2F)C[C@H](C)O1	743555194	RWFHTTFKZLTSKN-ROUUACIJSA-N	419.541	3.684	10	20	HHCD	
CN(C)c1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c2ccccc2n1	743712376	PPTQNBJEVGCKPX-UHFFFAOYSA-N	404.514	3.885	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H](C)NC(=O)c1ccccc1	743808747	CYYWPUXIHSMJKC-AWEZNQCLSA-N	419.319	3.712	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)c1O	745483992	XCNREKFSYOIJGE-HDICACEKSA-N	411.546	3.878	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O	745881696	KYSLZSYDULYZJW-PGRDOPGGSA-N	408.546	3.867	10	20	HHCD	
CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1(CC)CC	749554745	JOMRUINTDYOHRG-YADHBBJMSA-N	417.594	3.678	10	20	HHCD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751303514	ZMFQLISSEOCRIP-HNNXBMFYSA-N	409.490	3.838	10	20	HHCD	
C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	751406680	REFXFQORFHGVEH-XLIONFOSSA-N	400.494	3.867	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(I)cc1	754163525	PCIUMNSSHAUCEX-UHFFFAOYSA-N	408.283	3.558	10	20	HHCD	
C[C@@H](NCc1cccc(OCCN(C)C2CCOCC2)c1)c1cc(F)ccc1O	756539510	OZKOIIWAOXHCSU-QGZVFWFLSA-N	402.510	3.872	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H](C)c3ccc(Cl)s3)CC2)cc(OC)c1OC	759222892	MFWYNGFXXXHHFK-CYBMUJFWSA-N	424.950	3.880	10	20	HHCD	
CC(C)OCc1ccccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761059076	CQFFHQBDRIXDLU-UHFFFAOYSA-N	402.878	3.935	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)cc1	762608349	RHKXWBOAQDXQAA-UHFFFAOYSA-N	418.487	3.616	10	20	HHCD	
COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1	767312665	NJSQZSVGCMKYQA-UWJYYQICSA-N	413.518	3.870	10	20	HHCD	
CCCc1nnc(S[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1	768400538	GQPMRTRMYGQCHX-GFCCVEGCSA-N	421.478	3.917	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3cccc4ncccc34)cc2F)C[C@@H](C)O1	768521303	ICDVOGHIKNXCGC-CALCHBBNSA-N	423.488	3.683	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1	769151694	BJUXETYLWIEJJF-FQEVSTJZSA-N	421.541	3.804	10	20	HHCD	
O=C(c1ccc(Br)cc1O)N(Cc1ccccc1O)C[C@H]1CCCO1	770088136	WZFXGVCXZJBSIY-OAHLLOKOSA-N	406.276	3.682	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cn(C)c2ccccc12	773063011	LVAZGXAWZWCYPQ-GOSISDBHSA-N	405.542	3.807	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(N(C)C)cc1	773856846	LVJMGTCGIBKDMV-MRXNPFEDSA-N	419.529	3.645	10	20	HHCD	
CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2cc(F)cc(C(C)=O)c2O)CC1	775303701	BVXRRCVFBGGZJE-OAHLLOKOSA-N	417.500	3.866	10	20	HHCD	
CC[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(Cl)c(Cl)c1O	775489350	NOCXNXRVGNFERD-INIZCTEOSA-N	417.358	3.859	10	20	HHCD	
CC[C@@H](NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1O	775518059	CSFLAQYQLDQYAN-HXUWFJFHSA-N	412.530	3.815	10	20	HHCD	
CO[C@@H]1CCC[C@H]1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	775518742	XZHALDKCSUDPKA-OLTZHPAZSA-N	424.613	3.661	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1c[nH]c2cccc(C)c12	777829009	SXSCLONBUAEQLT-UHFFFAOYSA-N	400.862	3.580	10	20	HHCD	
CCN(CCOc1ccc(Br)cc1)C(=O)/C=C\c1ccc(O)c(O)c1	779523888	FWYULCCPAQQTDP-WMZJFQQLSA-N	406.276	3.801	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(-c4ccccn4)c3C)c2)CC1	781045244	GFSLUWAIBQCRBN-UHFFFAOYSA-N	414.509	3.978	10	20	HHCD	
O=C(COC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(O)c(O)c1	782794298	VQRBKFLTPSOWPV-UHFFFAOYSA-N	409.369	3.529	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)c(Br)c1	784026169	QSVCBDWATNMLEH-UHFFFAOYSA-N	421.291	3.541	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2)c2ccco2)cc1F	785542147	DRMDEVSHEXWJIO-JOCHJYFZSA-N	423.488	3.787	10	20	HHCD	
COc1cc(O)c(CN[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1OC	785984169	HHRAHAHUDYQTII-HXUWFJFHSA-N	406.482	3.749	10	20	HHCD	
COCc1cccc(CNC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1	787519349	MNGSQRIIVQWLHF-UHFFFAOYSA-N	423.557	3.535	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)cc1	788940622	TXSDNRZWOUYYLG-UHFFFAOYSA-N	420.557	3.872	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](CO)c3ccccc3OC(F)(F)F)CC2)cc1	793349832	XTHAALCZTPEKAM-IBGZPJMESA-N	410.436	3.886	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CC1	794307799	GPUHHKILUJXHQQ-AERCQKQUSA-N	413.562	3.652	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN(CC)[C@H](C)CO)sc(C)c1-c1ccccc1	794711507	NHXLCEAVCSKEOX-CQSZACIVSA-N	404.532	3.541	10	20	HHCD	
c1ccc(CN2CCc3cc(CNC[C@@]4(N5CCOCC5)CCSC4)ccc32)cc1	796274792	ALHJUBRGDAUQJX-VWLOTQADSA-N	423.626	3.547	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccc(C(N)=O)c3)cc2Cl)C1	800000389	CUBFUULBBGHNQF-AWEZNQCLSA-N	400.910	3.997	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1	800913806	NDFNEYSAIBSJPT-NRFANRHFSA-N	424.545	3.676	10	20	HHCD	
Cc1ccccc1[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C	803301109	ZCYPPDFOUZZUNR-CVDCTZTESA-N	423.557	3.522	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@H]2N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	804193439	PCEJTENRJVNZOX-ZWKOTPCHSA-N	400.862	3.765	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1C[C@H]2CCC[C@@H](C2)C1	804342127	BYFMSHLKFNELRB-KBPBESRZSA-N	406.529	3.517	10	20	HHCD	
CCC(=O)Nc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	805135753	YATNSKDYBWBTCJ-UHFFFAOYSA-N	403.287	3.526	10	20	HHCD	
O=C(NCCc1cccc2[nH]ccc12)C(=O)N(Cc1ccccc1O)C1CCCCC1	806584521	KPOJTQSWWHJNAN-UHFFFAOYSA-N	419.525	3.894	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1	807098615	ZUAXQROOCYXZKL-KKSFZXQISA-N	409.530	3.585	10	20	HHCD	
CCC(CC)[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CCO1	808069477	WVALHDBPOOIWQK-IFMALSPDSA-N	417.594	3.590	10	20	HHCD	
O=S(=O)(CCc1ccccc1Br)Nc1cc(Cl)c(O)cc1F	812271746	RZAPMQZIFWBRHO-UHFFFAOYSA-N	408.676	3.932	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(N2CCCNC2=O)cc1	812889283	POMRFGGUFXTTNQ-GOSISDBHSA-N	419.529	3.543	10	20	HHCD	
COc1cc(OC)cc([C@@H](NCc2cc(Cl)c(F)cc2O)c2nccn2C)c1	816561610	DNTSOFNNQHAMHJ-LJQANCHMSA-N	405.857	3.815	10	20	HHCD	
CC(C)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC(O)CC1	857455355	BLAZWODTHOYBDV-PQUAAJSLSA-N	410.505	3.950	10	20	HHCD	
COc1cc(F)ccc1NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	914572606	QHQIXAMWJZPQCM-UHFFFAOYSA-N	404.397	3.660	10	20	HHCD	
NC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	916532601	MKKOBWGLGSKNPJ-UHFFFAOYSA-N	402.410	3.996	10	20	HHCD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)c2ccc(O)c(O)c2)o1	916611178	DCRGUUPJGSZQAF-UHFFFAOYSA-N	418.405	3.892	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1	916688229	RRDPTQBTBHZACZ-UHFFFAOYSA-N	424.545	3.715	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3nnc(C(C)(C)C)s3)cc2F)C[C@@H](C)O1	918053498	AJXSLHMSSGHKCA-BETUJISGSA-N	421.542	3.910	10	20	HHCD	
C[C@@H](NC(=O)c1ccoc1)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	919485424	UTSKLMLPBSEFBI-OAHLLOKOSA-N	420.425	3.995	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccc2cncn12	1320102183	SVDZHAVWANURQU-HNNXBMFYSA-N	400.429	3.643	10	20	HHCD	
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(O)c4)CCC3)cc2)s1	1787280502	MPYBJVNSBUPRFC-UHFFFAOYSA-N	423.494	3.924	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1nc2ccccc2s1	9659096	OGABTHULBWYHGX-UHFFFAOYSA-N	413.568	3.884	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1	18214987	RZYZSDWSQODAMA-UHFFFAOYSA-N	405.498	3.611	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sc2c1CCCC2	97076240	ZAJACUKSTRULMP-CYBMUJFWSA-N	402.447	3.617	10	20	HHCD	
CCOC(=O)c1nnc2ccccc2c1NCc1ccc(N2CCC(O)CC2)c(F)c1	301338284	FEVUDBYSOZNXBD-UHFFFAOYSA-N	424.476	3.519	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)ccc21	590659065	HUUSSPSCSXEDMM-UHFFFAOYSA-N	414.527	3.869	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c2c(c1)C[C@@H](C)O2	727861069	PDZNOOXPHJABNM-FDIDITGRSA-N	412.536	3.858	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN2c2ncnc3sccc23)C2CC2)cc1	728465302	MMSPPZWKEXBPHA-FQEVSTJZSA-N	421.570	3.917	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)CC1	731014832	LSKFVUFZMMESOQ-IBGZPJMESA-N	409.505	3.731	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N(C)C	731279171	VXKANIQLEPKYID-LJQANCHMSA-N	415.534	3.634	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1O	737278084	FIWABQFPNKLDET-UHFFFAOYSA-N	418.877	3.631	10	20	HHCD	
CC(C)n1ccc(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1	739006355	SWQIHAUVZULITL-UHFFFAOYSA-N	407.465	3.534	10	20	HHCD	
COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c1	740609103	CIAPGFGKCYYETM-UHFFFAOYSA-N	406.479	3.649	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C	743327222	DIJOJPNLEHKNDF-SFHVURJKSA-N	406.523	3.547	10	20	HHCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(F)c(Br)c1	743343367	KRHLUUBFQHJHNP-UHFFFAOYSA-N	413.312	3.667	10	20	HHCD	
O=C(NCC[C@@H](O)c1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	745799068	GEWXZSBEWJOARM-HXUWFJFHSA-N	419.472	3.680	10	20	HHCD	
O=C(NCc1ccccc1O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1	748346647	QYIPDMYJYUHTMU-HNNXBMFYSA-N	407.297	3.868	10	20	HHCD	
CC[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)Oc1ccccc1F	748958095	DDWYYFPZJIUVKQ-XLIONFOSSA-N	415.509	3.880	10	20	HHCD	
CC(C)(C)c1ncc(/C=C\C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	749405168	DJLUVDUBWOWUJB-ALCCZGGFSA-N	417.550	3.870	10	20	HHCD	
CCn1nc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C1CC1	750629034	JZBRLYBCRFKIKP-HUUCEWRRSA-N	415.513	3.855	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCNC(=O)C2CCCCC2)cc1	751077820	RCPJZOLOOWOCET-UHFFFAOYSA-N	411.546	3.961	10	20	HHCD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	751308326	VTTNSFJGMCENHJ-SJORKVTESA-N	405.502	3.620	10	20	HHCD	
CCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1	751355573	GJUJHJVWDXFQIQ-UHFFFAOYSA-N	402.516	3.874	10	20	HHCD	
CC(=O)Nc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1	751356245	PYCMCXUHQAIAAG-UHFFFAOYSA-N	402.516	3.793	10	20	HHCD	
CS[C@H](C)CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	752268695	JLUNYVPGDYTOGC-VSXLWIIGSA-N	400.616	3.597	10	20	HHCD	
C[C@@H](NCCOC[C@@H]1CCOC1)c1cc(Br)cc(Br)c1O	756564188	RARFECGXBQFCAH-GHMZBOCLSA-N	423.145	3.621	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1	756597079	KAKNHIWLAYVMQE-GUYCJALGSA-N	402.878	3.678	10	20	HHCD	
COc1cc(C)ccc1CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	757634805	STEBNYAJBKKCJN-CALCHBBNSA-N	415.509	3.756	10	20	HHCD	
Cc1ccc(CSCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1C	759057432	ZRTLWXKUJMTDPD-UHFFFAOYSA-N	402.535	3.829	10	20	HHCD	
CCC[C@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1	759224892	IWUPHJRFTKUMTA-FQEVSTJZSA-N	412.530	3.945	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H](c3ccccc3)C3CC3)CC2)cc(OC)c1OC	759238167	CVXTVJNPZRXBTD-QFIPXVFZSA-N	410.514	3.555	10	20	HHCD	
C[C@H](NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1	760039874	GNLVUQNJRBKTAR-YBVWCTEOSA-N	402.485	3.618	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c(cnn2C(C)C)c1	762282021	SXFNDYJRHCUXDU-UHFFFAOYSA-N	400.548	3.894	10	20	HHCD	
CCOc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc(Cl)c1O	762606751	YHQRXDXTNLNLQK-UHFFFAOYSA-N	418.921	3.583	10	20	HHCD	
C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1	765378583	APRZFHJCZHZRKE-HNNXBMFYSA-N	418.335	3.575	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NCc1ccc(N2CCCCC2)cc1	765719998	VRLLMHSPTWUPMZ-KRWDZBQOSA-N	411.493	3.842	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(OC[C@@H]2CCCO2)cc1	765726404	GYMACBXMVZSXMO-INIZCTEOSA-N	406.276	3.643	10	20	HHCD	
COCCOc1ccc(C(=O)NCc2cccc(Br)c2O)c(Cl)c1	765746729	IHQDOIBOGJXECZ-UHFFFAOYSA-N	414.683	3.763	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc([N+](=O)[O-])ccc1OC(F)F	765747920	QXJDXUARNIWPAE-UHFFFAOYSA-N	417.162	3.594	10	20	HHCD	
COc1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cnc1Cl	767673740	YPZNMJDNYFDXGV-UHFFFAOYSA-N	417.846	3.946	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)cc1)C1CCCCC1	767781484	NPBPRGIMRHNXEG-OAQYLSRUSA-N	421.607	3.564	10	20	HHCD	
COc1cccc(CC(=O)N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)c1	769130725	CSMGQELLTIRNNL-UHFFFAOYSA-N	407.558	3.572	10	20	HHCD	
CC[C@H](c1ccncc1)N(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	769937691	SYIQJZIIFQOZCV-JOCHJYFZSA-N	413.477	3.879	10	20	HHCD	
CCC1(CC)[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[C@@H](C)[C@H]1OC	770833242	XJCWAKDBMFKFKF-DUXKGJEZSA-N	403.567	3.504	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1	774146966	WTJSVYMOGAATAE-UHFFFAOYSA-N	415.444	3.602	10	20	HHCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC[C@@H]1c1cccs1	775253756	DPTGHRSZAWRVOM-BBTUJRGHSA-N	413.587	3.988	10	20	HHCD	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(O)c(O)c2)c1	778923755	RYPKTKAAKBTJRI-UHFFFAOYSA-N	415.449	3.889	10	20	HHCD	
Cc1cc2c(cc1C)[C@H](NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CCS2	779023857	JEZZEBWGAFKHMQ-OAQYLSRUSA-N	416.612	3.865	10	20	HHCD	
Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1NS(=O)(=O)c1ccccc1	779495675	GORGCYGRRZSOJY-FMIVXFBMSA-N	424.478	3.859	10	20	HHCD	
COc1ccc(N2CCC(N[C@@H](c3ccc([N+](=O)[O-])cc3)c3nccn3C)CC2)cc1	780766526	RYJZVBLQCKPPNB-QFIPXVFZSA-N	421.501	3.685	10	20	HHCD	
COC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3C)c2C)ccn1	786264939	RQKPSSWKVQYRFE-UHFFFAOYSA-N	406.438	3.624	10	20	HHCD	
C[C@@H]1[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCN1C(=O)OC(C)(C)C	787142491	WFRREUPTBONCGF-BHIYHBOVSA-N	418.534	3.545	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1	789837986	IYFLBKQSXGOXMR-GMYLUUGSSA-N	404.532	3.898	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc4ncccc4c3)cc2F)C[C@H](C)O1	792037508	CRHZBBYTONTGQL-IRXDYDNUSA-N	422.504	3.987	10	20	HHCD	
COc1ccc(CNC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c(O)c1	793029259	ZNHPEZDWMVFCJZ-MGPUTAFESA-N	421.900	3.686	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1O	796467034	ULTNNYSXMXGWOB-GOSISDBHSA-N	414.477	3.872	10	20	HHCD	
C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1O	798181531	WIUNSKMSHOGOMN-GFCCVEGCSA-N	402.438	3.512	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](C(N)=O)c3ccccc3)cc2Cl)C1	799995188	ZIEOETSLDNGZEK-QRWLVFNGSA-N	414.937	3.602	10	20	HHCD	
CCCC(=O)NC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)CC1	800769232	NMABYEGGIAHUGH-UHFFFAOYSA-N	420.561	3.775	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1	801548184	BGCPQZNNEUIAOO-UHFFFAOYSA-N	418.559	3.912	10	20	HHCD	
COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	804367873	DMZKFSODQWIQRF-KRWDZBQOSA-N	400.422	3.723	10	20	HHCD	
CCC[C@]1(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCOC1	804537709	CKPUWDIOQFOIOF-RYBIEJRYSA-N	424.613	3.805	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCOC[C@H]3[C@H]3CCCO3)cc2Cl)C1	805450705	NRICAFWTCGMHNJ-TYCQWZJGSA-N	421.969	3.666	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(N2CCOCC2)cc1	806541230	HMZOGMVBYJPXDR-YCRNBWNJSA-N	410.562	3.575	10	20	HHCD	
CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1cc(Br)ccc1O	807387821	YTKUIVDIDXSANR-UHFFFAOYSA-N	421.291	3.507	10	20	HHCD	
CCC(CC)(CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)SC	807775552	NGQQYYUKKYNPLG-UHFFFAOYSA-N	405.608	3.673	10	20	HHCD	
CC(C)(C)c1cc(CN2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(O)c(C(C)(C)C)c1	809704660	HYHHOKPUYOPRDP-MZNJEOGPSA-N	415.578	3.940	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1O	809751953	KJHKUTNQUSBYQJ-MRXNPFEDSA-N	415.494	3.854	10	20	HHCD	
CN(C)c1ccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(C(F)(F)F)c1	811515213	OQNUXQXGHBFFSM-LBPRGKRZSA-N	411.390	3.662	10	20	HHCD	
CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(c2ccc(OC)cc2)CC1	812035540	UJCSUOSVDZJRGJ-UHFFFAOYSA-N	422.489	3.599	10	20	HHCD	
CNC(=O)c1cc(Oc2cccc(NCc3cc(OC)c(OC)cc3O)c2)ccn1	814176083	LYGQTCTYANUTBO-UHFFFAOYSA-N	409.442	3.568	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(C(F)(F)F)c1O	815562972	QNJBXXFPGXMPAZ-ZBFHGGJFSA-N	421.463	3.964	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1	820879773	BKIMBKSBFMERKI-UHFFFAOYSA-N	416.522	3.899	10	20	HHCD	
CN(C)C(=O)COc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	915343356	IFKVOXDAYVTWHM-UHFFFAOYSA-N	424.545	3.808	10	20	HHCD	
CCN(CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cccc(C)c1	915902770	IRLOXUQKHOETQJ-JOCHJYFZSA-N	411.546	3.918	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cccc(C(=O)NC2CC2)c1	916648820	OCNPHAGNLZHZRO-UHFFFAOYSA-N	420.557	3.911	10	20	HHCD	
CCOc1ccc(N2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)CC2)cc1	1324469213	PSFRCCLDSAJPGM-INIZCTEOSA-N	417.937	3.897	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(C2CC2)nn1-c1ccccc1	10092225	NOFMCDDKSHMSAA-UHFFFAOYSA-N	421.570	3.961	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc12	195641045	UBWZJVFFLMNANT-UHFFFAOYSA-N	408.473	3.879	10	20	HHCD	
CN(C)c1ccc(CNCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1	237127014	DDAYQSXJJNSJCN-UHFFFAOYSA-N	411.527	3.633	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(C(C)C)C2=O)c(C)n1-c1ccc(Br)cc1	303598951	URIOWSINCLKWLT-GOSISDBHSA-N	418.335	3.596	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCN(C(C)C)C2=O)c(C)n1-c1ccc(Br)cc1	303598952	URIOWSINCLKWLT-SFHVURJKSA-N	418.335	3.596	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2cnc(-c3ccccc3)cn2)CC1	487731024	MFXAIXKPVSZYGF-UHFFFAOYSA-N	410.477	3.966	10	20	HHCD	
COc1ccc(CCNC(=O)NCc2ccc3c(c2)CCCN3C)cc1OC(F)F	725870096	ZPVMCQCWZHXKHP-UHFFFAOYSA-N	419.472	3.721	10	20	HHCD	
CNc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1[N+](=O)[O-]	726566648	YIEVJHIOGZMNTG-UHFFFAOYSA-N	420.416	3.637	10	20	HHCD	
Cc1ccc(C(C)(C)CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	728596066	FXKGWBHWWADSJV-UHFFFAOYSA-N	413.537	3.872	10	20	HHCD	
CCOc1ccc(-c2noc(CCC(=O)N[C@H](C)c3cc(OC)ccc3O)n2)cc1	728977584	ARLKMADBHYMJGP-CQSZACIVSA-N	411.458	3.660	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3ccccc3N(C)C(=O)c3ccco3)ccc21	731005676	QUQRGDWFUSTTPA-UHFFFAOYSA-N	403.482	3.869	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCCNC(=O)c2ccccc2Cl)cc1F	731363361	FPMAHFRLOZACEH-UHFFFAOYSA-N	420.916	3.555	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc3c(nc2O)CCCC3)cc1	731578247	HBBXEDRXEKVITB-UHFFFAOYSA-N	407.436	3.937	10	20	HHCD	
O=[N+]([O-])c1c(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nc2sccn12	731903943	ZHUBPTQKWMSHFC-CYBMUJFWSA-N	407.883	3.740	10	20	HHCD	
COC(=O)CN(Cc1ccn(-c2cccc(F)c2)n1)Cc1cc(Cl)ccc1O	732203032	LVZLAPZMZZOMAA-UHFFFAOYSA-N	403.841	3.546	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)CCc2ccc(Br)cc2)c1	734066812	ZDCBISVSHBEERH-CYBMUJFWSA-N	407.308	3.984	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1C[C@H]1c1c(F)cccc1F	734858326	MYPBUDCEHAYBHX-VQIMIIECSA-N	403.498	3.873	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(N2CCOCC2)cc1	735680490	FWUMJJBTGVMUMU-CUWPLCDZSA-N	403.567	3.725	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1	736323956	BCJALRYYQBKKBC-UHFFFAOYSA-N	403.548	3.620	10	20	HHCD	
CCN(CC)c1ccc(CNCc2ccccc2CS(=O)(=O)NC(C)C)cc1F	740004559	QPISFYSWOCAPLE-UHFFFAOYSA-N	421.582	3.790	10	20	HHCD	
CN(C[C@@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)OC(C)(C)C	743623608	JLVICSRQZRGZOX-FQEVSTJZSA-N	414.550	3.604	10	20	HHCD	
Cc1c(Br)cccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	743958044	IRXMIRZZIJHCFB-UHFFFAOYSA-N	417.303	3.597	10	20	HHCD	
O=C(NC[C@@H]1Cc2ccccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745728000	XKDGKFPMYFUTFF-DLBZAZTESA-N	401.457	3.896	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(C(N)=O)o2)c(C)n1-c1ccc(F)c(Cl)c1	747181198	PXABDYIYSLKRNX-UHFFFAOYSA-N	418.808	3.618	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)ccc1F	747859503	ZWEIOBCOVMSGCJ-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H]3CCCc4c3cnn4CCO)c2C)c1	749529159	DBCBPEZPBMZMNK-QFIPXVFZSA-N	406.530	3.707	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cc1	749616728	SGKJMGXPNPUEJN-UHFFFAOYSA-N	424.593	3.750	10	20	HHCD	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OC(F)F	750900332	MWYHVOCMIUQEOK-UITAMQMPSA-N	410.261	3.938	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)c(C)n1-c1cccc(C(C)C)c1	752704801	GLVRSCYATYDVRP-QFIPXVFZSA-N	411.546	3.618	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC(Cc2ccc(F)c(F)c2)C1	752863476	MGISVSYEOSRBOV-UHFFFAOYSA-N	417.525	3.902	10	20	HHCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nc(Cc2ccccc2)no1	753038487	PHECMMIJNMRTSL-OAHLLOKOSA-N	406.486	3.805	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Cn2cccn2)cc1	754547616	GMQWDMPDUUSZHH-UHFFFAOYSA-N	407.429	3.959	10	20	HHCD	
CCc1nc([C@H](C)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1	754793378	PPKDMAKANMPWEQ-ZDUSSCGKSA-N	419.506	3.770	10	20	HHCD	
C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1cc(Br)c(F)cc1O	756511995	UNUHQTCZVRGITA-LLVKDONJSA-N	416.312	3.689	10	20	HHCD	
C[C@H](NCCCNC(=O)c1cccc(Br)c1)c1cc(F)cc(F)c1O	756529373	ZWTTYACGZCJJCB-NSHDSACASA-N	413.262	3.904	10	20	HHCD	
Cc1noc(C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2)n1	758365985	FDLLRWOBIFSEQP-NRFANRHFSA-N	405.502	3.761	10	20	HHCD	
COCCC1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1	760820801	BTNYWIYTTVIFFN-MRXNPFEDSA-N	411.493	3.763	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1nnc(-c2ccccc2)s1	761964413	FWTJXOWIVXHDND-UHFFFAOYSA-N	414.874	3.529	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)c(C)n1-c1ccc(F)cc1	763005353	BZVACCCGGWKAQZ-IBGZPJMESA-N	410.445	3.940	10	20	HHCD	
Cc1c(O)nc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc1-c1ccccc1	763179222	WPLUOPSUACGREJ-UHFFFAOYSA-N	422.554	3.974	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1C	764065982	BIWAEEMKPNSVEO-XXBNENTESA-N	408.590	3.501	10	20	HHCD	
COc1cccc([C@@H](CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)N(C)C)c1	764460019	AZFXPDQYMGIUIF-GAJHUEQPSA-N	401.526	3.624	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H](c1ccccc1)[C@@H]1CCCO1	765478477	DMTXTYUILHSUPF-DLBZAZTESA-N	405.292	3.874	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc(OCCOC)cc3)cc2F)CC1	765852084	JXENTGCFKNTTFG-LJQANCHMSA-N	415.553	3.844	10	20	HHCD	
CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1	766601143	PDRCWBVQBJTKGN-IZZNHLLZSA-N	423.601	3.933	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnc(-c2ccccc2)nc1	768915122	JOKYQZLLTBYPAR-FQEVSTJZSA-N	422.916	3.897	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cc(F)c(F)cc2F)cc1	769151938	DOCYGUAUYQIVQS-SFHVURJKSA-N	406.448	3.920	10	20	HHCD	
CN(Cc1cc(Br)ccc1O)C1CCN(CCc2ccccn2)CC1	769181416	VSFUKFVCVNXZPV-UHFFFAOYSA-N	404.352	3.689	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCCC[C@H](S(C)(=O)=O)C3)c2C)c1	769726271	BLAGUYSJMDJCIA-FQEVSTJZSA-N	402.560	3.750	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1occc1Br	771055758	DTZJZVMLHCYTOY-ZDUSSCGKSA-N	413.699	3.796	10	20	HHCD	
Cn1cc(-c2cccc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)c2)cn1	771055790	FEVZKUDWGYJKSS-OAQYLSRUSA-N	424.932	3.841	10	20	HHCD	
C[C@@H](NC[C@@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1	773063984	KZJCISQMCIPQJK-FOIQADDNSA-N	405.336	3.670	10	20	HHCD	
C[C@@H](NCCOc1ncccc1C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	773084099	PDKQHVBVDMJPCF-CQSZACIVSA-N	413.415	3.806	10	20	HHCD	
COc1cccc(-c2noc(SCC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)n2)c1	775409316	DYXHZOCIIXCUOW-AWEZNQCLSA-N	412.515	3.781	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)cc2F)C[C@@H](C)O1	775620126	BARJLXHYRPWNPG-XNFNUYLZSA-N	421.557	3.975	10	20	HHCD	
COC(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1F	783134409	YWTDUCRRTOSGIJ-UHFFFAOYSA-N	418.494	3.879	10	20	HHCD	
CCc1ccc([C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C(C)C)cc1	785492598	CXRMLNYLMBAYAF-QHCPKHFHSA-N	407.558	3.979	10	20	HHCD	
CC(C)Oc1ccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	786816896	CZRYPHCOPMTADZ-UHFFFAOYSA-N	411.546	3.593	10	20	HHCD	
C[C@@H](NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1cc(Cl)ccc1O	788611063	FDTOBXKRSGKBFC-NVXWUHKLSA-N	420.912	3.553	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	788955358	QFHDSGYXTBBGRT-IAGOWNOFSA-N	413.484	3.634	10	20	HHCD	
CC[C@H]1CCCC[C@H]1NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O	789984413	PUTATJZIRGYNQV-XJKSGUPXSA-N	411.340	3.588	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(O[C@@H]2CCOC2)cc1	790832834	JNLYMFGBGXKUKO-GOSISDBHSA-N	413.429	3.882	10	20	HHCD	
Cc1cc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c(C)n1-c1cccc(Br)c1	791182098	MLXYKJDSJTZOPP-KBPBESRZSA-N	423.376	3.838	10	20	HHCD	
Cc1c(S(=O)(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cnn1C	794016093	IHYNNESVRUKGIH-UHFFFAOYSA-N	403.316	3.960	10	20	HHCD	
C[C@H](CSCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	794447425	BAQXRXCQGUFNLI-QGZVFWFLSA-N	402.535	3.815	10	20	HHCD	
CC(C)[C@H](CNCc1ccc2c(c1)CCN2Cc1ccccc1)N1CCN(C)CC1	796263689	CPRJLNCTRLCYHG-SANMLTNESA-N	406.618	3.611	10	20	HHCD	
CC(C)c1ncc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cn1	797358176	KTLMNERWUIOKMC-UHFFFAOYSA-N	416.393	3.536	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)c(O)c1	797626349	VPUVACOURSUHCA-UHFFFAOYSA-N	401.463	3.747	10	20	HHCD	
Cc1cc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)c(C)n1-c1ccc(C(C)C)cc1	798263986	KWOLLDIGIKOKFG-UHFFFAOYSA-N	420.561	3.778	10	20	HHCD	
CN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccc(N2CCCCC2)cc1	800709426	LSWNNUFSTHKMRS-UHFFFAOYSA-N	420.557	3.640	10	20	HHCD	
CC[C@H](NCCNS(=O)(=O)Cc1ccccc1)c1cc(Cl)cc(Cl)c1O	806133008	FIVPLFUTYGTBRY-KRWDZBQOSA-N	417.358	3.859	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H]1CCC[C@@H](C)CC1	806965423	HXXKTRNHNYYMRX-CZUORRHYSA-N	411.340	3.588	10	20	HHCD	
C[C@@H](NC(=O)C(=O)N1CC[C@H](CSc2ccccc2)C1)c1ccc(N(C)C)cc1	807673400	SJGVDARUIIVRAG-MSOLQXFVSA-N	411.571	3.571	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2conc2C2CC2)NC(=O)OC(C)(C)C)cc1	810448444	ZZAXZRQKVOKSIP-SFHVURJKSA-N	414.506	3.614	10	20	HHCD	
CC1(C)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]1[C@H]1CCCO1	812024282	KTEOZOWOGAVSCT-RTBURBONSA-N	423.504	3.856	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1c[nH]c(C(F)(F)F)c1	814105851	KGZQOWFFAPLYCX-UHFFFAOYSA-N	421.341	3.819	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	814679705	LPXUUUJEMCWZPF-QFIPXVFZSA-N	412.578	3.897	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@H](Cc3ccccc3Cl)C3CC3)cc2)CC1	815579947	YZKLOTKVHATYHI-JOCHJYFZSA-N	418.990	3.686	10	20	HHCD	
O=S(=O)(NC1CCN(Cc2ccc3ccccc3c2O)CC1)c1ccc(F)cc1	816484874	RKWKRPKBHDGPRI-UHFFFAOYSA-N	414.502	3.627	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc(OCC(F)(F)F)nn3)cc2F)C[C@@H](C)O1	820634698	QFDPMFVAEDIFLG-BETUJISGSA-N	414.403	3.783	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1C(N)=O	915221923	OATPCPRYAWKGTO-UHFFFAOYSA-N	407.904	3.672	10	20	HHCD	
CC(C)n1ncc2cc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cnc21	915694875	FKVXHLUZNFCLQQ-UHFFFAOYSA-N	408.506	3.513	10	20	HHCD	
Cc1cc(CCNC(=O)Cn2cc(C(N)=O)c3ccccc32)c(C)n1-c1ccccc1	917957619	HACJAXOBNKUORQ-UHFFFAOYSA-N	414.509	3.507	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	918082458	WNELORDRDXTZAP-UHFFFAOYSA-N	410.562	3.963	10	20	HHCD	
O=C(Nc1ccc(Cl)c(F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O	918294787	XEEKOCPEPIMGAQ-UHFFFAOYSA-N	402.809	3.945	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCc4cnn(C(C)C)c43)CC2)cc1	1116606758	YNCFZIBXVMJIRB-OAQYLSRUSA-N	411.550	3.772	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3c(C)nc(C4CC4)nc3SC)CC2)cc1	1319490548	OBALERITALIEAY-UHFFFAOYSA-N	412.559	3.745	10	20	HHCD	
C[C@@H]1CN(C(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)C[C@@H](C)O1	11648224	HMESWJZLVBTNHE-IAGOWNOFSA-N	411.527	3.919	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1	250590551	WZQRWECBTLQWEA-RDGATRHJSA-N	410.558	3.662	10	20	HHCD	
CCn1c(SCC(=O)NCc2ccc(N(C)C)cc2)nnc1-c1cccc(C)c1	302705010	YEOYDQXFNXHCJL-UHFFFAOYSA-N	409.559	3.748	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCCO4)SC2=S)cn1	726986453	QAYKYCCLRZFBFG-ZSOIEALJSA-N	420.899	3.921	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3ccccc3Br)CC2)cc1	729178254	JIJXXSBDINTSSB-UHFFFAOYSA-N	403.320	3.739	10	20	HHCD	
C[C@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)NC(=O)NC(C)(C)C	729588625	YECZUHLHJBHMTR-ZDUSSCGKSA-N	412.446	3.977	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c(F)c(F)c(F)c(F)c1F	732203238	RAJKXFUFUXMNEI-UHFFFAOYSA-N	409.738	3.916	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1	733134663	WYTCQOMONIHTJC-LJQANCHMSA-N	422.485	3.964	10	20	HHCD	
C[C@H]1CN(Cc2ccc(C(=O)NCCCSc3nccs3)cc2)C[C@@H](C)O1	733883728	AJOIQGIZCPETJP-IYBDPMFKSA-N	405.589	3.665	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](SC)c3ccccc3)cc2F)CC1	739563407	KAUYQFCCXYAXRO-OAQYLSRUSA-N	401.551	3.688	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O	741090561	KMGBLJMIWHNHDO-NRFANRHFSA-N	424.932	3.663	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c(C)n1-c1ccc(F)cc1	744753072	FRYZZCYAXIZPDB-UHFFFAOYSA-N	408.477	3.986	10	20	HHCD	
CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCCN(Cc2ccccc2)C1	746420563	GCPQUJCICVGPNV-DEOSSOPVSA-N	404.558	3.869	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C(=O)c2cnn(C)c2)sc(C)c1-c1ccc(F)cc1	751068127	ICZFYYBBAPIVKY-UHFFFAOYSA-N	415.446	3.594	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1	753189554	KILSDKHRHWARGL-STZQEDGTSA-N	409.530	3.501	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(S(C)(=O)=O)cc1	753338028	BBVFJWWJVMDTLC-INIZCTEOSA-N	413.495	3.721	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3C)CC2)cc1F	753858575	WWTRLGDIZPAVEZ-HNNXBMFYSA-N	405.901	3.945	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)CC2)cc1F	753920295	VFHLSVNMBNDOFQ-LJQANCHMSA-N	417.456	3.719	10	20	HHCD	
C[C@H](NC[C@@H](C1CC1)N(C)C)c1cc(Br)cc(Br)c1O	756432950	LRFPGSMQFRUVFJ-XPTSAGLGSA-N	406.162	3.908	10	20	HHCD	
CCc1cc(N2CCC[C@@H](N[C@H](C)c3cc(Br)cc(F)c3O)C2)ncn1	756713779	YPRVEHWYBROTFR-IUODEOHRSA-N	423.330	3.966	10	20	HHCD	
Cc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c(OC[C@H]2CCCO2)c1	757731929	JDIKYMJGSYWTQU-JOCHJYFZSA-N	411.546	3.960	10	20	HHCD	
COc1ccc(C[C@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	758511116	MRDJWCLHKIMYED-BZSNNMDCSA-N	414.521	3.943	10	20	HHCD	
COc1ccc(N(C)Cc2ccc(OCCN3CCOCC3)c(Cl)c2)cc1OC	761222273	SDWAOYKYXQOLJU-UHFFFAOYSA-N	420.937	3.705	10	20	HHCD	
Cc1cc(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)c(C)n1-c1ccccc1Br	762550031	YDQRCUPRDGAIIP-ZJWNCGCPSA-N	423.376	3.697	10	20	HHCD	
Cc1ccc2c(c1)[C@@H](NC(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)CO2	763653197	DHWMDUKWGOPMMI-IBGZPJMESA-N	417.456	3.998	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1I	765281499	HADFNJRJXFGMAM-OAHLLOKOSA-N	422.310	3.979	10	20	HHCD	
Cc1cc(NC(=O)NCc2cccc(Br)c2O)ccc1C(=O)NC(C)C	765283962	TYHKIRFQJWDKEE-UHFFFAOYSA-N	420.307	3.923	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2c(C)cc(N(C)C)cc2C)cc1	766250583	YVQLRJBMGLKSBA-UHFFFAOYSA-N	410.562	3.813	10	20	HHCD	
Cc1csc(CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	766420390	QPYCRAVNVMDDOA-UHFFFAOYSA-N	413.465	3.556	10	20	HHCD	
COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1ccc(N2CCCCC2)cc1	770544148	VKKUUSUKNWAIAW-UHFFFAOYSA-N	422.573	3.685	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2nc1O	771060562	WPCGQNQRYFFSAJ-KRWDZBQOSA-N	411.889	3.694	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C(=O)OC(C)(C)C	772374628	BCWUNECMJCRQJH-HKUYNNGSSA-N	414.550	3.650	10	20	HHCD	
COc1ccc(COCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	772557744	LSKBEDFIPSPPND-UHFFFAOYSA-N	410.470	3.922	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1	772777469	VJRVOAZXGIKCML-NTUHNPAUSA-N	417.417	3.789	10	20	HHCD	
C[C@H](NC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1	773610006	BRFSAVGBDYBWCS-SCLBCKFNSA-N	411.424	3.745	10	20	HHCD	
COc1cccc(CNc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c1O	775315689	ORKWNRFCCSHVBT-UHFFFAOYSA-N	418.449	3.688	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc2NC1=O	776155415	DIFHTVDGSFBVST-SIFCLUCFSA-N	410.518	3.984	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	782548127	WLRYWFCPOGGPMJ-ZWKOTPCHSA-N	407.530	3.588	10	20	HHCD	
Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n(C2CCN(C)CC2)n1	782787600	SMQUMOVEDFKJDC-UHFFFAOYSA-N	412.582	3.967	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)cc1	784107363	SFNNGWIFUUSHQI-UHFFFAOYSA-N	421.476	3.756	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785434928	XNLUSTGTKASDNO-HZPDHXFCSA-N	401.938	3.673	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc(Br)c1OC	785851219	KORSAQNYKMKIFO-UHFFFAOYSA-N	419.319	3.997	10	20	HHCD	
COC[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	786177209	GRHIZHXSXMAXPU-NRFANRHFSA-N	403.954	3.684	10	20	HHCD	
CCCN1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1=O	788339920	DZBIYDCWAPDVGH-UHFFFAOYSA-N	407.474	3.511	10	20	HHCD	
CC[C@@H](CN(CC)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1	788936284	JNXDLMXIHXBQRM-NRFANRHFSA-N	407.558	3.945	10	20	HHCD	
COc1ccc(CNC(=O)NCC(C)(C)c2cccc(Br)c2)c(O)c1	792888625	IRDOVFPHDOBBBY-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
C[C@@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C[C@@H](C)S1(=O)=O	794162195	QRUNQPFOFCMICG-HZPDHXFCSA-N	414.531	3.816	10	20	HHCD	
C[C@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccc(N2CCOCC2)cc1Cl	797133967	RVSFHJHGPFTMDA-RKOGDMNLSA-N	406.979	3.906	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1OCC(F)(F)F	797626893	YTPWKJSHRQVZMA-SNVBAGLBSA-N	402.344	3.931	10	20	HHCD	
CCN(CC)c1ccc(CN(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1	800709770	LWZAQZUBRFXANV-UHFFFAOYSA-N	408.546	3.730	10	20	HHCD	
CCCCN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1O	801596170	RGNDEYGTBMSXBX-UHFFFAOYSA-N	423.557	3.547	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(C4CC4)n3CCc3ccccc3)CC2)cc1F	802326637	STWLYVORNVZYET-UHFFFAOYSA-N	421.520	3.873	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1	803328433	WOAFNDIDMBORBO-UHFFFAOYSA-N	407.514	3.935	10	20	HHCD	
CCOC1CC2(CCN(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)C2)C1	806878829	XJNCVZBZDNZORH-XQQGARBVSA-N	423.504	3.857	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F	806900298	VFFKMMSCTJERGH-AWEZNQCLSA-N	423.435	3.646	10	20	HHCD	
C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc([S@@](C)=O)cc1	807024081	HNXWSOXNSZNVDS-REFGNXHDSA-N	401.315	3.997	10	20	HHCD	
CSc1ccc(CCNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	807669784	RXFPXPSSJDJTIZ-UHFFFAOYSA-N	424.522	3.595	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc(Br)nc3)cc2F)CC1	810216884	RDLDXFICFOLEGM-OAHLLOKOSA-N	421.358	3.976	10	20	HHCD	
CCOC1CC(CN[C@H](CC)c2ccc(C(F)(F)F)cc2O)(N2CCOCC2)C1	810236838	AVPKFEIBBQMYBO-KGXSXCIVSA-N	416.484	3.722	10	20	HHCD	
CCc1c(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cnn1-c1ccccc1C	857464626	IDEFMOMFGNAWLE-UHFFFAOYSA-N	422.504	3.853	10	20	HHCD	
COCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(OC)c(OC)c1	1322591236	ZLOCZQDPWMMKNW-QGZVFWFLSA-N	408.539	3.804	10	20	HHCD	
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1	8171029	ILQKEVUBJADCTP-UHFFFAOYSA-N	423.538	3.792	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1ccc(F)cc1	55531093	FMAQFRCSSQCVGO-UHFFFAOYSA-N	409.461	3.861	10	20	HHCD	
CNC(=O)C1(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CCCC1	116595819	FOYUGWGCXLEZSH-UHFFFAOYSA-N	418.335	3.645	10	20	HHCD	
CN(Cc1ccccc1O)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1	302626238	IERIUWXLLAHAES-UHFFFAOYSA-N	405.426	3.503	10	20	HHCD	
C[C@@H](c1cccc(O)c1)N(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	303382303	OCYXIBQWQSGVTK-HNNXBMFYSA-N	414.461	3.799	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)c1O	725850095	JTNTVBAPMRJGMB-AWEZNQCLSA-N	406.744	3.676	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1	725856133	KUBXTNBFELVUPU-UHFFFAOYSA-N	404.518	3.627	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1	726479201	DTEHSSYMVWAMPC-UHFFFAOYSA-N	420.604	3.651	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc2c1OCCO2	727244345	YJBAXAVOSIDOFV-UHFFFAOYSA-N	410.423	3.660	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2cccc(OC(F)(F)F)c2)SC1=S	728083071	AIDRPSXOMFZRJU-XFXZXTDPSA-N	405.419	3.740	10	20	HHCD	
COc1cc(Cl)c(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cc1Cl	729853820	LOSKKVOLTKUBNW-UHFFFAOYSA-N	407.294	3.686	10	20	HHCD	
COCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1	730463993	AYSOLHDXNYIVLV-BOPFTXTBSA-N	415.492	3.816	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1F	730666609	GTGIQCHCWRCHTE-UHFFFAOYSA-N	403.458	3.795	10	20	HHCD	
COCc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1F	730906831	OTKRDTWXQZXSSS-IBGZPJMESA-N	402.466	3.569	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@@H](N2CCCCC2)C1	730910450	ITFRAYYGSPSAPP-LJQANCHMSA-N	422.520	3.527	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)cc2)CC1	731106114	SNTRPTYQZJTXFF-INIZCTEOSA-N	408.502	3.964	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3csc(C)n3)CC2)cc1F	731638858	NNJLDZYZYKUKLT-UHFFFAOYSA-N	418.582	3.965	10	20	HHCD	
CC[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C[C@@H](C)O1	732149922	RHWLMSFTFGHMRL-RSCROXIHSA-N	424.613	3.755	10	20	HHCD	
C[C@@H]1CCC[C@H](OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	732935570	RZCCJCKLWCMGEB-QAPCUYQASA-N	414.468	3.754	10	20	HHCD	
C[C@H]1CCC[C@H](OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1	732935571	RZCCJCKLWCMGEB-YJBOKZPZSA-N	414.468	3.754	10	20	HHCD	
O=C1/C(=C\c2ccc(Br)cn2)SC(=S)N1CCc1cccnc1	733812691	CNIJXMURRRCLRP-RIYZIHGNSA-N	406.330	3.683	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1	734471916	WLRHBRCSFMTMSJ-SFHVURJKSA-N	412.509	3.760	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)NC(C)(C)c3cccs3)CC2)cc1	735181532	BPVHZXVCDQUZPP-UHFFFAOYSA-N	416.591	3.503	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12	735271589	NVIZJCPZUMZGJB-UHFFFAOYSA-N	408.458	3.965	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cc4cc(F)ccc4o3)CC2)cc1	735424715	RHFZGFGKOLCDPY-UHFFFAOYSA-N	411.477	3.523	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccccc3CSc3nc[nH]n3)CC2)cc1	737830909	NEFSRHIBBHUCCA-UHFFFAOYSA-N	423.542	3.504	10	20	HHCD	
Cc1cc(C(=O)N2CCN(c3nccn3C)CC2)c(C)n1-c1ccc(C(C)C)cc1	740706749	WFGHJZMGJXGDIT-UHFFFAOYSA-N	405.546	3.913	10	20	HHCD	
COc1ccc(-c2ncc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)s2)cc1	742496738	CEMHWZLVUOVOGS-UHFFFAOYSA-N	423.538	3.928	10	20	HHCD	
CCc1ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1	742751937	YDLHYWYRVZYOMB-INIZCTEOSA-N	418.563	3.767	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCc1ccccc1F	743870919	HJZBFKRCOWRJNJ-ZDUSSCGKSA-N	409.299	3.821	10	20	HHCD	
Cc1noc(C)c1CN(C)[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	745983265	KCFHZQHDVLIMJD-CQSZACIVSA-N	417.465	3.526	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1C	746312627	WTEIEKKPGSDIHL-UHFFFAOYSA-N	421.463	3.933	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)ccc21	746811836	LKFXUGZZHCQTKS-UHFFFAOYSA-N	404.489	3.813	10	20	HHCD	
O=C(NCc1ccc(Cl)cc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748009322	GKDHZQIKGKWLDX-UHFFFAOYSA-N	422.915	3.838	10	20	HHCD	
Cc1ccc(S(=O)(=O)C2(C(=O)NCCCSc3nccs3)CCCC2)cc1	751017723	IDWFHLOXZXNYMN-UHFFFAOYSA-N	424.613	3.837	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1C	754540680	VSUCNFGQPZEMDG-UHFFFAOYSA-N	422.617	3.892	10	20	HHCD	
COCCN(Cc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(OC)c(OC)c1	757841298	NIYLWCXIQGJMTP-UHFFFAOYSA-N	402.882	3.591	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(C(C)C)cc3O)CC2)cc(OC)c1OC	760087423	ZGYQHQAZDCXTTM-UHFFFAOYSA-N	414.502	3.504	10	20	HHCD	
COc1ccc(C(=O)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1Cl	760613371	BDGNMGAAFJFZOV-UHFFFAOYSA-N	406.829	3.880	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3nccn4cc(C)nc34)c2C)c1	763618789	DRWGWANXMSGLDF-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
COCCOc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC	765036000	SRHCFSVMVCRWIF-MOPGFXCFSA-N	414.546	3.969	10	20	HHCD	
C[C@@H](NCCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)cc1Cl	766162716	QKELKWCQKHUJSF-QGZVFWFLSA-N	415.965	3.772	10	20	HHCD	
Oc1c(Cl)cc(Cl)cc1CN1CCN(Cc2nc(O)c3ccccc3n2)CC1	768229966	OFYPLYSLCLJBID-UHFFFAOYSA-N	419.312	3.666	10	20	HHCD	
COc1cc(O)c(CN2CCO[C@@H](c3ccccc3Br)C2)cc1OC	768445039	PWFMCOGTWQNSCM-LJQANCHMSA-N	408.292	3.745	10	20	HHCD	
CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cc(Cl)ccc2O)C(C)C)cc1	769349676	CHGRHJLKYJWBAA-IBGZPJMESA-N	406.910	3.654	10	20	HHCD	
Cc1cc(O)ccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	770080784	AJZAHQLZYXHFCU-UHFFFAOYSA-N	404.469	3.521	10	20	HHCD	
CCNC(=O)N1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1	772630079	IVCJEWRLYWJABT-UHFFFAOYSA-N	408.506	3.655	10	20	HHCD	
Cc1ccoc1C(=O)NCCCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl	773007315	QADACLYQEAXJRZ-MRXNPFEDSA-N	405.926	3.549	10	20	HHCD	
C[C@H](NC[C@H](O)c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1	773063987	KZJCISQMCIPQJK-YWZLYKJASA-N	405.336	3.670	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(-c4cncnc4)cc3F)CC2)cc1	773827584	YQXPWRZFGUTFHJ-UHFFFAOYSA-N	406.461	3.690	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)n2)cc1C	775139533	IUGUOVZSLLTKGX-UHFFFAOYSA-N	416.450	3.987	10	20	HHCD	
CC(C)C[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1	775197623	NRIJAXIPVAJIDT-FGZHOGPDSA-N	424.541	3.803	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3ccccc3C(F)(F)F)CC2)cc1	775459359	NJDCINFQUFZOEI-INIZCTEOSA-N	421.463	3.713	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(O)(Cc2ccc(F)cc2)CC1	776117020	LBNDHHYBCWOHGE-UHFFFAOYSA-N	411.521	3.705	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	776236784	BITSLVYIIBUCTQ-IAGOWNOFSA-N	404.555	3.712	10	20	HHCD	
O=C(O)C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1	779484654	DQMDRNUMSZVRSW-LJQANCHMSA-N	419.319	3.591	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(C(=O)NCc2ccccc2F)cc1	779502973	YQVNDBNRHGFUCM-SDQBBNPISA-N	406.413	3.819	10	20	HHCD	
CCOC(=O)N1CCC([C@@H](C)NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	779668294	GQUOGISBYIWTFF-GOSISDBHSA-N	418.582	3.930	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1ccc(C(F)(F)F)cc1F	780777254	PRIKPYQEGUFPLU-UHFFFAOYSA-N	400.444	3.762	10	20	HHCD	
CCOC(=O)c1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782897207	ZJEXVCXCNICKTG-UHFFFAOYSA-N	424.497	3.869	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCc2ncsc2C1	783745371	MEIYCHXGQXTMIY-UHFFFAOYSA-N	404.127	3.932	10	20	HHCD	
NC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCCCC1	785207813	FBSMKKIQLLIWEW-FQEVSTJZSA-N	421.501	3.981	10	20	HHCD	
CC[C@]1(C)CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1	785680220	AHIWSPSRPMYJME-LJQBUTKESA-N	424.613	3.757	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1	786074934	PSWYGNKOOIKNJP-OAQYLSRUSA-N	411.933	3.846	10	20	HHCD	
CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	787874035	LRIIYZCAPUEMGF-SFHVURJKSA-N	409.530	3.568	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1	789024882	LSMJCHBKKFEYDJ-QGZVFWFLSA-N	410.518	3.920	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1	792037840	DYVJOAHUZAHNNS-AZUAARDMSA-N	415.484	3.937	10	20	HHCD	
c1ccc(CN2CCc3cc(CNC4CCN(C[C@@H]5CCOC5)CC4)ccc32)cc1	796311289	XIHQMJIUXYWTCL-QHCPKHFHSA-N	405.586	3.840	10	20	HHCD	
C[C@@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1	797088227	VTQRCBYTUMRMSQ-LBFURVHYSA-N	416.585	3.550	10	20	HHCD	
Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1	803662924	JPQWDKSXMRUHMS-UHFFFAOYSA-N	423.488	3.638	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@H](c3ccccc3C)C(C)C)CC2)cc1	804315466	LXCMEFCEASXGTH-QHCPKHFHSA-N	423.557	3.602	10	20	HHCD	
CS(=O)(=O)Cc1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	806244025	VZGACGXLCDVAGC-UHFFFAOYSA-N	403.287	3.565	10	20	HHCD	
CC(C)S(=O)(=O)CCNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	813890208	BNTPKHBPRBTQCR-UHFFFAOYSA-N	402.520	3.721	10	20	HHCD	
COCC1(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CCOCC1	817227020	OTVXBVBWLCUZPZ-UHFFFAOYSA-N	421.335	3.782	10	20	HHCD	
O=C(NCCNc1ncc(Cl)cc1Cl)NCc1ccc(N2CCCC2)cc1	916522079	XRXJIMQMGAPMJW-UHFFFAOYSA-N	408.333	3.900	10	20	HHCD	
C[C@@H]1CN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2ccccc21	917056901	BQTXVAIGQWWYJU-KZNAEPCWSA-N	411.521	3.679	10	20	HHCD	
COCCCn1c(C)cc(C(=O)CN2CCCN(c3ccc(OC)cc3)CC2)c1C	917209958	GYMTVDYFRMYVRH-UHFFFAOYSA-N	413.562	3.545	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2C2CCCCC2)c1	917476986	AGMVAXMZMBNEJR-QHCPKHFHSA-N	400.563	3.972	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCOc3cccc(Cl)c3)CC2)cc1	918008600	NTCJEBZHTQJMNB-UHFFFAOYSA-N	403.910	3.649	10	20	HHCD	
C[C@@H](OC(=O)CCC(C)(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	919292377	PGIXNZLONHRDLC-GFCCVEGCSA-N	415.392	3.768	10	20	HHCD	
COCCOCCCNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	920431886	TUCMMZRMMMCREB-UHFFFAOYSA-N	409.324	3.640	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1N1CCCC1=O	1248709305	VUVACUWUZIJHSU-UHFFFAOYSA-N	424.570	3.997	10	20	HHCD	
Brc1cc(NCc2ccc(N3CCCC3)cc2)cnc1N1CCOCC1	1322565812	UAXREWXIZOLIOG-UHFFFAOYSA-N	417.351	3.893	10	20	HHCD	
CN(C)c1ccc(Cl)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	303767551	IWBAYQIYNJJBRZ-UHFFFAOYSA-N	416.953	3.936	10	20	HHCD	
COc1cc(C2=N/C(=C/c3ccc(N(C)C)c(F)c3)C(=O)O2)ccc1OC(F)F	727658368	HDNRFNJJRWUVOC-NTEUORMPSA-N	406.360	3.846	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=S)NCCc3cccs3)cc2F)C[C@@H](C)O1	727696688	INXQEQZTHKNGDD-GASCZTMLSA-N	407.580	3.708	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Cc3ccc(-n4cccc4)cc3)cc2F)CC1	730194597	NCSZRAVKZDXRJI-UHFFFAOYSA-N	420.532	3.617	10	20	HHCD	
CCCC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	731121516	XJDOKDUAYNVIPH-OAQYLSRUSA-N	414.594	3.761	10	20	HHCD	
O=C(CCCc1nnc(-c2ccccc2)o1)N(Cc1ccccc1O)C[C@H]1CCCO1	731858286	JTUZQNWHOJQRAS-HXUWFJFHSA-N	421.497	3.973	10	20	HHCD	
O=C(c1sc(N2CCCC2)nc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1	735518308	SPIGHRPAFSGQGL-HNNXBMFYSA-N	421.950	3.924	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(F)c1	735685410	FXPALWHUODLPBJ-UHFFFAOYSA-N	417.500	3.703	10	20	HHCD	
CN(C)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl	738936604	VBXUAHZZRXQALM-UHFFFAOYSA-N	406.889	3.703	10	20	HHCD	
O=[N+]([O-])c1cc(CNCC2(N3CCOCC3)CCCCC2)ccc1N1CCCCC1	743636310	CGLVJCODHVENSX-UHFFFAOYSA-N	416.566	3.710	10	20	HHCD	
COCCOC[C@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	743979350	DQYOMOVWLGQOHH-KRWDZBQOSA-N	410.474	3.552	10	20	HHCD	
Cc1nccn1-c1ncccc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	745734857	XLLOTLKHTJWAAO-UHFFFAOYSA-N	406.534	3.762	10	20	HHCD	
O=C(NCCc1ccn(-c2ccc(F)cc2)n1)NCc1c(O)ccc2c1CCCC2	745891939	IXWCZEGXALPXOX-UHFFFAOYSA-N	408.477	3.638	10	20	HHCD	
CCCCn1nccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	746380567	CIJJFEWRMSZGDJ-UHFFFAOYSA-N	411.550	3.707	10	20	HHCD	
Cc1cc(-n2c(C)cc(C(=O)CN(Cc3ccccc3O)C[C@@H]3CCCO3)c2C)no1	746760611	YGHHKGVUGYQCJZ-FQEVSTJZSA-N	423.513	3.960	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	751136304	HJANYOLQJYXATJ-UHFFFAOYSA-N	421.490	3.842	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc1C	751405833	MRZNNWVRTJTPEZ-QFIPXVFZSA-N	409.530	3.841	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)N(C)Cc2nc[nH]n2)c(C)n1-c1ccc(OC(F)F)cc1	751475503	LLPIRCFUUWSVFN-AWEZNQCLSA-N	403.433	3.517	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)Cc2ccc3c(c2)NC(=O)C3)c1C	752041478	CGEALPZMUYILOE-UHFFFAOYSA-N	416.477	3.866	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)CC1	753299534	RHOYTQLAPYYCEI-GOSISDBHSA-N	414.571	3.746	10	20	HHCD	
COc1cc(N(C)CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc(OC)c1OC	754661278	XYCDCLXXKBTRPS-UHFFFAOYSA-N	413.474	3.735	10	20	HHCD	
CCOCCOc1cc(C)ccc1CNC(=O)NCc1c(O)ccc2c1CCCC2	755236738	FZUZCRIIGIMEAC-UHFFFAOYSA-N	412.530	3.994	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	756424727	VAPJLZKHUQKLPM-JYJNAYRXSA-N	416.493	3.782	10	20	HHCD	
C[C@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)c(Cl)c1O	756527530	ZOZDZJZTXPTPCT-APBUJDDRSA-N	408.285	3.604	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(NC(=O)NCCCSc2nccs2)cc1	758605094	JFNCLROPDJQNMB-UHFFFAOYSA-N	414.578	3.599	10	20	HHCD	
COc1cc(N2CCN(C(=O)Cc3coc4cc(C)ccc34)CC2)cc(OC)c1OC	759224182	CHTNIEKKGDVMBZ-UHFFFAOYSA-N	424.497	3.658	10	20	HHCD	
COc1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)c(Br)c1OC	759590124	VKNAFMKDBROUDI-YWEYNIOJSA-N	409.232	3.634	10	20	HHCD	
CCOC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)C1CCOCC1	759949305	QKKOYCQENHYJLD-FQEVSTJZSA-N	418.921	3.836	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@H](O)COc1cccc2[nH]ccc12	760869939	YGGSPZMVXCKYGJ-INIZCTEOSA-N	419.319	3.898	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c2cc(Br)ccc2n1	762264385	VPRXLXPPTUVPIU-UHFFFAOYSA-N	401.260	3.689	10	20	HHCD	
O=C(NCc1csc(Br)c1)NCc1cccc(Br)c1O	764759703	BJWWEAYNNPZLGK-UHFFFAOYSA-N	420.126	3.978	10	20	HHCD	
C[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(N2CCOCC2)c(F)c1	764926241	JOWLNQBRSSDVPU-AWEZNQCLSA-N	413.415	3.849	10	20	HHCD	
CC(C)(C)Oc1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1O	765904367	SCBRWPKJRLNQLP-UHFFFAOYSA-N	421.291	3.587	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(N2CCOCC2)cc1)C1CC1	769371885	URTKKVQOEZTRPM-DEOSSOPVSA-N	408.542	3.662	10	20	HHCD	
CC(=O)Nc1ccc(F)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	771054994	WXAIZRXJGOFUGL-QGZVFWFLSA-N	419.884	3.538	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)cc2)CC1	771512338	DBFPBLDPHQJCEZ-HEHNFIMWSA-N	423.607	3.882	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNCC(c3ccccc3)c3ccccc3)cc2)CC1	771845444	KEGGCFIZOFZQCN-UHFFFAOYSA-N	420.578	3.843	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	773343504	ZENSHSXWAKUMNL-HUUCEWRRSA-N	409.490	3.933	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1CSC1=NCCS1	773768453	FTUSDAGXBLJCAI-ZDUSSCGKSA-N	402.541	3.795	10	20	HHCD	
COc1cccc(O)c1CNCc1ccc(Cl)cc1I	775026989	DBSNFFDZEFSMJU-UHFFFAOYSA-N	403.647	3.949	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)n2)c(C)c1	775143573	AHCAMVJEEHCAET-UHFFFAOYSA-N	416.450	3.987	10	20	HHCD	
C[C@H](NCc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(N2CCOCC2)cc1	775259330	HRMRCQZHQQPNOD-INIZCTEOSA-N	422.554	3.596	10	20	HHCD	
CCc1nc(CN2CCN(Cc3cc(Br)cc(C)c3O)CC2)cs1	775663099	YTBSJOVUKQAWOT-UHFFFAOYSA-N	410.381	3.800	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](n3cncn3)C2)c(C)n1-c1ccccc1Br	777223991	CQZIHZXZOJMSAG-HNNXBMFYSA-N	414.307	3.535	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCOC3=O)cc2)cc1F	783003575	QHMAQIWUJDSEQT-UHFFFAOYSA-N	414.481	3.628	10	20	HHCD	
CCCc1nc(C)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1	783316527	OTSIMHOQBASVRA-UHFFFAOYSA-N	402.564	3.846	10	20	HHCD	
COC[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	787066920	WSVZXXREVQOJGG-IIBYNOLFSA-N	417.937	3.925	10	20	HHCD	
O=C1C[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc21	789643949	NZTSDPIXNHCAIH-IBGZPJMESA-N	400.425	3.743	10	20	HHCD	
CCN(CC)c1ccc(CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1F	793265799	LMPTZJAXDDBXPB-GOSISDBHSA-N	408.315	3.751	10	20	HHCD	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NCc1ccc(N2CCSCC2)cc1	795330003	UXWAHJRDSKNYCA-OAQYLSRUSA-N	420.575	3.538	10	20	HHCD	
CC[C@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1O	796686569	ZQGQXOHHRBXEED-IBGZPJMESA-N	406.523	3.947	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1	797621357	AKBNMWYWFNQOGQ-SNVBAGLBSA-N	422.363	3.919	10	20	HHCD	
COc1cc(OC)cc(C2(F)CCN(Cc3cc(OC)c(OC)cc3O)CC2)c1	802659177	FJFHEYBXCKBYAO-UHFFFAOYSA-N	405.466	3.887	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H](C)C[C@H]3c3cccnc3)cc2)CC1	805023157	PHTPNRSSQIGFDF-XXBNENTESA-N	420.557	3.544	10	20	HHCD	
CCOc1ccc([C@H]2CCCN2C(=O)C(=O)NCCCSc2nccs2)cc1	806276638	HEQRZVSFOOACBN-QGZVFWFLSA-N	419.572	3.504	10	20	HHCD	
Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	807836673	JVNZVJBKIIVGOB-UHFFFAOYSA-N	400.174	3.754	10	20	HHCD	
CC(=O)C(=O)CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1	808010045	IEPGPNVSJMAIMC-UHFFFAOYSA-N	420.288	3.599	10	20	HHCD	
CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)Cc2ccccc2O1	808237682	BKJFWBXDHJOTCW-UHFFFAOYSA-N	413.493	3.545	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1	808839898	BRSRQEDSHOITGB-QFIPXVFZSA-N	411.521	3.816	10	20	HHCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1ccc(N2CCCNC2=O)cc1	813099038	NKFXUORNNLKJKQ-AWEZNQCLSA-N	419.576	3.605	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2nn(-c3ccccc3)cc2O)cc1	813399651	QRFSCQZHYKPJAH-UHFFFAOYSA-N	418.419	3.849	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCCCSc2nccs2)ccc1-c1ccncc1	815537636	GBDLEDFRPSQUHF-UHFFFAOYSA-N	412.540	3.751	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1	918207457	YLNXADHEEGQUNP-QFIPXVFZSA-N	408.546	3.696	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)c3ccoc3)c2C)cc1	919481244	SGMLMNGGNHXYNR-INIZCTEOSA-N	408.454	3.540	10	20	HHCD	
Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	919970488	GSCZNORSNZDPAA-UHFFFAOYSA-N	423.488	3.609	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	1320397509	HZGGMIREOVWGSF-NVBOVPBASA-N	415.530	3.685	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(Br)cc2C(N)=O)c(C)n1-c1ccccn1	1322022535	JHCXAIWCWGIIBQ-UHFFFAOYSA-N	413.275	3.603	10	20	HHCD	
Cc1cc(C(=O)N2CCCC2)ccc1NCc1ccc(N2CCN(C)CC2)c(F)c1	1345172739	DFSIXRISPCOQHV-UHFFFAOYSA-N	410.537	3.734	10	20	HHCD	
CC(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)[nH]n1	1816768171	VJIAPKLTUSEVRR-OAHLLOKOSA-N	420.897	3.826	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1	9932616	MHGZHQPNQKEEQE-SFHVURJKSA-N	409.530	3.695	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(C)Cc2ccsc2)c([N+](=O)[O-])c1Br	14267435	IGYZQZACGUHPOM-UHFFFAOYSA-N	402.226	3.972	10	20	HHCD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C1\SC(N2CCOCC2)=NC1=O	26763619	SDLYFVNZXBTDNU-GDNBJRDFSA-N	423.325	3.790	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(Cc2csc(C)n2)CC1	110442598	HPIOASHBZFVTIL-UHFFFAOYSA-N	400.592	3.778	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C\c2ccc3c(c2)OCO3)cc1	206134200	FBIMCGFGOJAWKB-UOMAQRANSA-N	408.498	3.702	10	20	HHCD	
COCCOc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	237242053	BNQAKWREGAGWRH-UHFFFAOYSA-N	424.463	3.857	10	20	HHCD	
COCCCOc1cccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1	303959187	BMHCSJHFBJFKHP-UHFFFAOYSA-N	423.557	3.886	10	20	HHCD	
C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCOc2cc(N(C)C)ccc21	437023672	YAEGYJHLEOLJDW-CYBMUJFWSA-N	405.292	3.708	10	20	HHCD	
COCCOc1c(Cl)cccc1NC(=O)N1CCOc2cc(N(C)C)ccc21	541064031	AMJQBHJFOLAVDR-UHFFFAOYSA-N	405.882	3.862	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	726097421	KKWKOMHMROGDSF-IBGZPJMESA-N	416.566	3.733	10	20	HHCD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726707957	IECWGUAQWVRSJX-HNNXBMFYSA-N	419.472	3.893	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	728024667	VVRXFAYGOOFUIT-JFLJCTNNSA-N	401.576	3.551	10	20	HHCD	
COc1cc(OC)cc(Oc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)c1	728697017	HZCIBWGWVHIFOC-WSDLNYQXSA-N	416.433	3.958	10	20	HHCD	
Cc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1[N+](=O)[O-]	728835627	IDUCFIQBMRFEJN-UHFFFAOYSA-N	418.453	3.647	10	20	HHCD	
CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	729062471	BMYIVUOAYQJHNU-LBPRGKRZSA-N	404.894	3.995	10	20	HHCD	
C[C@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)ccc2O1	730074242	XFOWWOWLYGLXHH-LBPRGKRZSA-N	414.508	3.869	10	20	HHCD	
COc1ccc(N2CCCN(c3ccnc(C(=O)NCc4ccccc4)c3)CC2)cc1	732803755	OKRQCYCROGCCBH-UHFFFAOYSA-N	416.525	3.737	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1	734066883	FMVGMSTXRAZBDR-UHFFFAOYSA-N	416.481	3.798	10	20	HHCD	
O=C(Nc1nnc(C(F)F)s1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743123031	KVRMVDCIBXFDMF-VIFPVBQESA-N	419.404	3.868	10	20	HHCD	
Cc1cc(C)cc(C[C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	743671040	YIZKQHLPYFRKRI-GOSISDBHSA-N	413.537	3.834	10	20	HHCD	
CC(C)CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	746036727	FUARFDRZROWXNQ-UHFFFAOYSA-N	407.514	3.743	10	20	HHCD	
CCc1ncsc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	750346186	ODBQMGNGRHNRRQ-KRWDZBQOSA-N	418.563	3.767	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(CCN2CCOCC2)CC1	751397953	WGGGJOHXMWTNLT-UHFFFAOYSA-N	401.576	3.730	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)CCCC(F)(F)F)cc2F)CC1	755300290	WGWQOYHTDHFIIJ-HNNXBMFYSA-N	418.479	3.888	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	758498444	WRBITASVCIWDSN-AEFFLSMTSA-N	404.555	3.587	10	20	HHCD	
COc1cc(N2CCN(C(=O)NC3CCCCCCC3)CC2)cc(OC)c1OC	759210700	DMCOPYLAYXHGDL-UHFFFAOYSA-N	405.539	3.657	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc(C)c(C)cc3Cl)CC2)cc(OC)c1OC	759243359	VHSZIXLCMKFLQU-UHFFFAOYSA-N	418.921	3.945	10	20	HHCD	
O=C(NCCCSc1nccs1)NC[C@@H](O)c1c(Cl)cccc1Cl	759601888	PRLNNTNAEDCEAX-GFCCVEGCSA-N	406.360	3.965	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](c1ccccc1)c1ccccn1	760942794	GQPDOWLRUQTVST-OAQYLSRUSA-N	407.857	3.994	10	20	HHCD	
CCCC(=O)N1CCCC[C@H]1C(=O)N(CC)Cc1cc(Br)ccc1O	761751317	DPAINIFJWCFQPG-INIZCTEOSA-N	411.340	3.684	10	20	HHCD	
CCn1c(-c2cccnc2)nn(CN2CCCN(c3ccc(OC)cc3)CC2)c1=S	764911507	UIGFEOAGPQHJQL-UHFFFAOYSA-N	424.574	3.674	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@H](c1ccccc1)N1CCCC1	765421039	RJNULDSDEZFYQF-GOSISDBHSA-N	418.335	3.791	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nnn1Cc1ccc(F)cc1	766394496	ZYRVHXYFELLOQL-UHFFFAOYSA-N	407.493	3.645	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC2(CCCC2)C1	767052270	RCTUFPKEZUQLEK-INIZCTEOSA-N	409.477	3.611	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CS(=O)(=O)C(C)(C)C)cc1	767459130	YVZSCDVHBODTRB-UHFFFAOYSA-N	418.559	3.508	10	20	HHCD	
CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1	768574401	ZNXNKGSGNZRJGQ-BENRWUELSA-N	412.486	3.665	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cc(F)ccc4C3)cc2F)C[C@@H](C)O1	768701229	ANRBOMWLASQCEG-IYBDPMFKSA-N	415.484	3.846	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(Oc2cccc(Br)c2)nc1	768914818	LDZYOODLRUUVRK-UHFFFAOYSA-N	415.243	3.978	10	20	HHCD	
Cc1cccc([C@@H](O)CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	769094947	MOSXGLVQCDLHQO-FQEVSTJZSA-N	419.472	3.598	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1	769317888	SRTVVCRPWKECBD-AZUAARDMSA-N	401.576	3.653	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCCc3cccs3)cc2F)C[C@@H](C)O1	769712797	LYNFNPNOGQQFHA-HZPDHXFCSA-N	405.539	3.933	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)NCCCSc3nccs3)c2)CC1	771274700	YVTOBIKSVHDXFE-UHFFFAOYSA-N	405.593	3.589	10	20	HHCD	
C[C@H](NCCCc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1	773035756	KEVMZZVTXBYLOI-KRWDZBQOSA-N	400.494	3.717	10	20	HHCD	
CCN(C(=O)/C=C\c1scnc1C)c1ccc(S(=O)(=O)C(F)(F)F)cc1	776799744	NEPPVCITXHTLTQ-HJWRWDBZSA-N	404.435	3.811	10	20	HHCD	
CN(Cc1cc(Br)cc(Br)c1O)Cc1ncc(Cl)n1C	779161139	LDRHUTULUQGMRG-UHFFFAOYSA-N	423.536	3.936	10	20	HHCD	
Cc1cc(Br)cc(CN2CCC(Oc3cncc(Cl)n3)CC2)c1O	779190048	AJZLDSOOGCPNOQ-UHFFFAOYSA-N	412.715	3.950	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Oc2ccccn2)c1	784029254	ZKJNHWCRGNCUFN-UHFFFAOYSA-N	405.454	3.957	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)c1	786834793	MJVIYRAFTSTPDE-CYBMUJFWSA-N	415.881	3.504	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnc(O)c2ccccc12	787130933	CWJPEVJXJAPQLZ-INIZCTEOSA-N	411.889	3.694	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)cc1	790541434	MSSGPGWXQTVFAU-UHFFFAOYSA-N	421.856	3.677	10	20	HHCD	
Cc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(Br)cc3O)C2=O)cc1	790747499	DOWRDUWVRZVAQL-KSSFIOAISA-N	403.320	3.915	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1cc(F)ccc1F	791249675	XYQIWONBRGVILS-UHFFFAOYSA-N	404.457	3.896	10	20	HHCD	
CCc1c(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cnn1C(CC)CC	792235469	BGRXQXGVFAZRLD-UHFFFAOYSA-N	412.534	3.646	10	20	HHCD	
CC[C@H](NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)c1ccc(C)cc1O	794795553	QGLRUMJLSRHQEX-SFTDATJTSA-N	414.546	3.832	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(Br)ccc2O)s1	794827042	GYICLBLLGXGKDE-JTQLQIEISA-N	404.351	3.861	10	20	HHCD	
C[C@H](NC(=O)NCc1c(F)cc(F)c(F)c1F)c1ccc(N2CCOCC2)cc1	797437753	QCORLRUTKHPTNN-LBPRGKRZSA-N	411.399	3.640	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(CCc1ccccn1)Cc1ccncc1	798109136	OMVMSEUHFQHXGK-UHFFFAOYSA-N	403.530	3.806	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCc4n[nH]cc4C3)cc2Cl)C1	799953993	GJZRZZPIGZLEJJ-YOEHRIQHSA-N	401.942	3.656	10	20	HHCD	
Cc1ccc(C2=NO[C@H](CNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2)cc1	800754204	QEBSLGSZNVVHQQ-QFIPXVFZSA-N	406.530	3.928	10	20	HHCD	
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	804005671	DUJLUFNISJZRIN-KBPBESRZSA-N	422.356	3.984	10	20	HHCD	
CCc1ccc(CCNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	804064639	HDKXZIKRANEOGY-UHFFFAOYSA-N	407.558	3.557	10	20	HHCD	
CCCN(C(=O)C(=O)NCCCSc1nccs1)[C@@H]1CCc2ccccc21	806282663	PRHMOZXFGSSQTI-QGZVFWFLSA-N	403.573	3.668	10	20	HHCD	
COC(=O)c1cccc(NC2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)CC2)c1	809755789	PNXVFRIGMUROAQ-UHFFFAOYSA-N	419.865	3.817	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1nc2c(s1)CCCC2(C)C)c1ccc(N(C)C)cc1	810387792	HMSDQHGNWBRVCC-CYBMUJFWSA-N	400.548	3.639	10	20	HHCD	
O=C(NC[C@H]1CCCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1)C(F)(F)F	811786645	UCCNILSFPHSOHY-CYBMUJFWSA-N	410.436	3.908	10	20	HHCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1c(Br)nnn1C	813507355	HDURBTAHOLGYFP-CYBMUJFWSA-N	415.291	3.687	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1O	813796074	ZFNQYYJOYAXXBI-INIZCTEOSA-N	419.522	3.522	10	20	HHCD	
CS(=O)(=O)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1	864000713	YVXLBAUSFKLGAT-UHFFFAOYSA-N	424.478	3.983	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CSC(F)F)c2C)cc1	899273865	AGYGSZPHSIBMLS-UHFFFAOYSA-N	411.426	3.562	10	20	HHCD	
CCN(C(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C)[C@@H]1CCS(=O)(=O)C1	903565678	BHSWPVHDZGOETL-HXUWFJFHSA-N	402.560	3.867	10	20	HHCD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	917709502	ZHZOROZGGMYELK-SFGWALBWSA-N	406.542	3.756	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3Cc4ccccc4S3)cc2F)C[C@@H](C)O1	917714698	NPWLJDBYJJVWFE-PZPWOCDFSA-N	400.519	3.773	10	20	HHCD	
COc1ccc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1F	918210908	AIHXKNYONVRQDZ-GJZGRUSLSA-N	419.472	3.586	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	918438328	MPCKDRSHZHEVHL-UHFFFAOYSA-N	424.353	3.802	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(C)Cc3cc(F)cc(F)c3)cc2F)CC1	1320915789	MIXVEUIGGCCROH-UHFFFAOYSA-N	420.479	3.587	10	20	HHCD	
CC(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1	1811263244	DEDVOUFOSFIAGF-UPVQGACJSA-N	416.525	3.829	10	20	HHCD	
CC(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(Cl)c2)CC1	1830737741	UMODYRACZLEOGC-KRWDZBQOSA-N	408.926	3.641	10	20	HHCD	
C[C@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	6291378	FJJIKQDJUHYMCR-LSDHHAIUSA-N	403.434	3.689	10	20	HHCD	
CSc1ccc(Cl)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	8067889	CVZHEUPGTZUSDQ-UHFFFAOYSA-N	406.935	3.943	10	20	HHCD	
C[C@H](NC(=O)NCCc1cccc2cccnc12)c1ccc(N2CCOCC2)cc1	140984156	SMYJHUMXTCXTFI-SFHVURJKSA-N	404.514	3.674	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1	472028029	DBQOAJGGUMABTD-UHFFFAOYSA-N	416.403	3.996	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C)(c4nc(C)no4)CC3)ccc21	510772452	ILJAELWUHKKCBT-UHFFFAOYSA-N	410.518	3.790	10	20	HHCD	
CCOc1cc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)ccc1OC	726197552	UOYJWCDCZRQATE-AQTBWJFISA-N	400.525	3.933	10	20	HHCD	
CC(C)CC(=O)Nc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1	726235603	DKFARDHTZIXARJ-UHFFFAOYSA-N	424.545	3.507	10	20	HHCD	
CN1CCCN(c2ccc(NC(=S)NCCCN(C)c3ccccc3)cc2)CC1	726470156	VWSMYAXEWIOMIR-UHFFFAOYSA-N	411.619	3.641	10	20	HHCD	
O=S(=O)(Cc1ccccc1F)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726601911	VHUMKJUGJOQKBR-UHFFFAOYSA-N	414.449	3.516	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1	726711679	HPZZODROFXEMIF-DHIUTWEWSA-N	409.530	3.585	10	20	HHCD	
CN(CC(F)(F)F)C(=O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2	727143467	WBRWIROQFFQPAS-UHFFFAOYSA-N	400.422	3.547	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C(C)(C)c1ccccc1Cl	729004342	ZLNVZJUMHBSYKL-UHFFFAOYSA-N	402.922	3.885	10	20	HHCD	
CCOCc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	731131049	CMSAKNZLGMAMKJ-UHFFFAOYSA-N	409.530	3.714	10	20	HHCD	
CCc1noc(CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)n1	731793405	PAXKLQWYOBMIGI-XFFZJAGNSA-N	410.318	3.796	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CNc3cccc(Cl)c3)cc2F)C[C@H](C)O1	733950347	BDEZQSGSNAREAB-GJZGRUSLSA-N	405.901	3.821	10	20	HHCD	
CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccc(N(C)C)cc1C	734470369	BWFPSRAHQRXTMD-NRFANRHFSA-N	413.587	3.537	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c1	735113719	RXQWDKRDWWFEGU-ZIAGYGMSSA-N	421.444	3.641	10	20	HHCD	
CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCCCCC3)c2)c1	740848738	ZWMYHOXPRPTVNU-UHFFFAOYSA-N	421.950	3.881	10	20	HHCD	
CCOc1cc2c(cc1CNC(=O)NCc1ccc(N3CC=CC3)cc1)O[C@@H](C)C2	740903516	QBVZPRDBWBFSDC-KRWDZBQOSA-N	407.514	3.784	10	20	HHCD	
O=C(CN1CC[C@@H](CN2CCOCC2)C1)Nc1ccc(N=Nc2ccccc2)cc1	741809073	ORUUHHJEWDDQDE-IBGZPJMESA-N	407.518	3.695	10	20	HHCD	
O=C(c1ccc(OC2CCOCC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	743339780	YKMRQWWEWSSHHE-JOCHJYFZSA-N	411.498	3.771	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCC(OCC4CC4)CC3)cc2F)C[C@H](C)O1	743554518	HANWJALZEGURLT-IRXDYDNUSA-N	419.541	3.540	10	20	HHCD	
COc1ccccc1C[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	743564900	QRHOZVYDQQIFRG-OALUTQOASA-N	411.546	3.865	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCOc1ccccc1OC	745275458	YRRKSGHXVCXWBH-UHFFFAOYSA-N	423.307	3.774	10	20	HHCD	
CC1CCN(CCCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745347837	PJHQUYRZCHIIME-GOSISDBHSA-N	424.536	3.678	10	20	HHCD	
O=C(CSc1nnc(C2CC2)s1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	746390049	OYLRRWUNVGXQMP-UHFFFAOYSA-N	421.503	3.922	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)ccc21	746762845	PQMCUMLLAKLFLI-OAQYLSRUSA-N	408.502	3.508	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)c1C	747210674	WUMITWLLCQSZNH-UHFFFAOYSA-N	418.541	3.946	10	20	HHCD	
CCOC[C@H]1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1	747930957	UUXROAIFYFATJG-LUYJPIOASA-N	424.613	3.615	10	20	HHCD	
Cc1ccc(SCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	749405122	BYZRAHRLMIYABZ-UHFFFAOYSA-N	402.535	3.894	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1F	751112794	OPMYMFFLOKWSHS-UHFFFAOYSA-N	403.542	3.763	10	20	HHCD	
CCOc1cccc2c1OCC(C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)=C2	754907396	LGWIAAXQUFEACF-FQEVSTJZSA-N	409.482	3.775	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1cc(Br)c(F)cc1O	756453278	DMUSQTYSAFKQBK-CMPLNLGQSA-N	402.235	3.523	10	20	HHCD	
Cc1ccc(O)c([C@@H](C)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)c1	756537614	YOWPFJHKMUMHLN-HXUWFJFHSA-N	417.594	3.629	10	20	HHCD	
COCCNC(=O)[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	756854912	BNBZOQKTBVBXBI-GUYCJALGSA-N	411.329	3.724	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(-c2ccccc2)n1	757839311	TUAJUXLPAOCKDD-UHFFFAOYSA-N	416.279	3.789	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cncc(Br)c3)CC2)cc1	757908430	PRKOIDPSRFJUKM-UHFFFAOYSA-N	405.296	3.597	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCCC[C@H]1C[C@@H](O)c1ccco1	759470858	BKPKDKIXDKGUSJ-FCHUYYIVSA-N	413.562	3.672	10	20	HHCD	
CC(C)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N1CCSc2ccccc21	759591017	BSSFOOMHYAPNQJ-ZQAUEJBPSA-N	413.495	3.818	10	20	HHCD	
C[C@@H](NC[C@H](CO)Cc1cccc(Br)c1)c1cc(F)cc(F)c1O	760039903	HETJKWQKNSBCQE-DGCLKSJQSA-N	400.263	3.935	10	20	HHCD	
CCCn1ccnc1CCCN(C)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	762072931	AVZPNLICTSHACX-UHFFFAOYSA-N	407.514	4.000	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCN(c4ncccc4F)CC3)c2C)cc1	762229955	LOMTVQANMMSGAG-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	764634306	HIGMNYPKEMZFRG-SFHVURJKSA-N	401.576	3.778	10	20	HHCD	
COc1cc([C@H](C)NCc2ccc3c(c2)CCCN3C)ccc1S(=O)(=O)C(F)F	765479707	JGRFRRBRXYDTDP-AWEZNQCLSA-N	424.513	3.925	10	20	HHCD	
C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(N2CCCCC2)cc1	765820537	LSWIZGBTZFNEBB-SQJMNOBHSA-N	421.585	3.798	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3cc(OC)c(OC)cc3F)cc2F)CC1	765848724	IYZJOMHQOFHPQO-INIZCTEOSA-N	419.516	3.975	10	20	HHCD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1	769494067	WHUKMVJBJPEZFA-HKBOAZHASA-N	414.594	3.792	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)cc1Cl	772982551	WTJNWSNWKAKIEC-YWZLYKJASA-N	417.912	3.772	10	20	HHCD	
COc1ccc2c(c1)OC[C@H](N[C@H](C)c1ccc(N3CCOCC3)cc1Cl)C2	773139052	MPFHGDZJBOTRMQ-NVXWUHKLSA-N	402.922	3.840	10	20	HHCD	
CC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)o1	773685712	BOMBGVQKAZDTLP-UHFFFAOYSA-N	423.421	3.701	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(F)cc(F)c1O	774509318	NPXKDGWCZCNYFF-QFYYESIMSA-N	411.246	3.889	10	20	HHCD	
COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1cccc(C(F)(F)F)c1	775012580	RIQKHMOJXHEJSG-CQSZACIVSA-N	400.353	3.805	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1O	775028193	NMZTWQXTMREDHF-AWEZNQCLSA-N	422.441	3.807	10	20	HHCD	
COc1cc(O)c(CNC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1OC	776222510	NGIXYFBEABBTJP-QGZVFWFLSA-N	405.800	3.603	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	779024307	ZTFJRLPXASSVTP-PXNSSMCTSA-N	421.557	3.570	10	20	HHCD	
CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)/C=C\c1ccc(O)c(O)c1	779492549	HEOBUZFULUKWFY-YWEYNIOJSA-N	413.861	3.852	10	20	HHCD	
CC(C)Oc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccn1	782897642	ZLDSVNLJDJABHR-UHFFFAOYSA-N	411.502	3.874	10	20	HHCD	
CCOc1ccc(OC)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783317014	SIAKZFCIDSLHLO-UHFFFAOYSA-N	413.518	3.536	10	20	HHCD	
COc1cccc(CC2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1	784242087	VDHSCFJTVQHLSW-UHFFFAOYSA-N	423.557	3.696	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(C2CCC2)cc1	787472261	ZALPHJMTRNUDJA-UHFFFAOYSA-N	409.555	3.762	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2cc[nH]n2)c(C)n1-c1ccc(Br)cc1	787781543	SUWGJSSKIHYLHX-UHFFFAOYSA-N	416.275	3.548	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)CC(=O)N2C	788707560	VZJKYEPHGZNQRP-UHFFFAOYSA-N	418.291	3.728	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)ccc21	792511945	ZQWHYZKKQZDZSE-CQSZACIVSA-N	403.523	3.548	10	20	HHCD	
COc1ccc(CNC(=O)NCCc2ccc(-c3csc(C)n3)s2)c(O)c1	792798448	JDYQOUMSGCLVJF-UHFFFAOYSA-N	403.529	3.936	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(I)cc2Cl)c(O)c1	794388031	MRQSTDXYNXZGSV-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	794853834	ORWJLOIYVAXQGB-OAQYLSRUSA-N	401.501	3.868	10	20	HHCD	
O=S(=O)(c1cccc(NCc2cc(-c3ccccc3)ccc2O)c1)N1CCOCC1	796385379	SXWNKAXMTXMSCL-UHFFFAOYSA-N	424.522	3.692	10	20	HHCD	
CCOc1cccc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1O	796391754	NFWQBDQPRGQTSP-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	798060987	PYZKYJNHVCYZEY-MQNAVGNWSA-N	409.530	3.838	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)cn3)cc2Cl)C1	800636352	KAWKPEUNNSNJEI-CYBMUJFWSA-N	421.328	3.880	10	20	HHCD	
O=C(NCc1ccsc1Br)NCc1cccc(Br)c1O	801064259	HALWSDBRYRPKSD-UHFFFAOYSA-N	420.126	3.978	10	20	HHCD	
CC(C)(C)n1ncnc1COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	801195021	SSQDZAAFOYITDM-UHFFFAOYSA-N	423.856	3.819	10	20	HHCD	
CCN(Cc1ccccn1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803677909	VDXCKMFRABJNEV-UHFFFAOYSA-N	408.546	3.515	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ncnc3sc([N+](=O)[O-])cc23)cc1	804573772	OVRUESRLJFXMOE-INIZCTEOSA-N	413.503	3.851	10	20	HHCD	
COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135967	XIFPYYYZFVEYGX-UHFFFAOYSA-N	424.689	3.618	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	806270035	NSVIUKYLEBTWSL-UHFFFAOYSA-N	418.302	3.782	10	20	HHCD	
C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1Cc1ccccc1	806438512	GYMQKNQDBGXLCP-CVDCTZTESA-N	424.614	3.702	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc(S(C)(=O)=O)cc3F)cc2F)C[C@H](C)O1	807931111	ZAOPLGUWBDLAMH-KBPBESRZSA-N	410.486	3.594	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F	810321888	JZYLWQMPMVRAOV-UHFFFAOYSA-N	424.354	3.806	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc([N+](=O)[O-])ccc1SCCO	813683923	HQGDNHIBKYZZFO-UHFFFAOYSA-N	417.270	3.622	10	20	HHCD	
C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1cccc(C(F)(F)F)c1O	815566420	SUPKFZJVMRYXGM-MRXNPFEDSA-N	424.463	3.973	10	20	HHCD	
CCOc1ccc(NCc2ccc3ccccc3c2O)cc1S(=O)(=O)N(C)C	816607282	MLAHIEMVSFRNNR-UHFFFAOYSA-N	400.500	3.807	10	20	HHCD	
COc1cc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(OC)c1OC	914438232	NGIWXGAPQVOAAU-UHFFFAOYSA-N	412.530	3.902	10	20	HHCD	
CN(C)C1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCCCCC1	915917203	IYQJSJCRJAGOLP-FQEVSTJZSA-N	403.567	3.737	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN(C)C3CCCCCC3)cc2F)C[C@@H](C)O1	916994835	CXDCXRYHFMSPBM-QZTJIDSGSA-N	405.558	3.710	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	918003400	VWIZNLJDNNHVEA-IRLDBZIGSA-N	408.546	3.585	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1Cc1ccccc1	918304002	LSMGBRHOISQVKV-UHFFFAOYSA-N	401.510	3.941	10	20	HHCD	
CCN(CC)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1	918307936	AMLPQBCWGCXQFV-UHFFFAOYSA-N	423.561	3.515	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1C	97593427	VVFDZJFNJIGMMH-IBGZPJMESA-N	415.493	3.860	10	20	HHCD	
COCCOC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1	148544521	UMAOJEZZNJTOOS-UHFFFAOYSA-N	412.490	3.803	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(C)nc(N4CCCC4)n3)ccc21	554009301	ZDIAPPSYMVCJHU-UHFFFAOYSA-N	421.545	3.533	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2c2ncnc3sccc23)cc1	728468313	VPBKXLNUTXELGA-LJQANCHMSA-N	409.559	3.823	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)C[C@H](c3ccccc3)C(C)C)CC2)cc1	728518432	IMARTTYOLRUAMS-DEOSSOPVSA-N	409.574	3.763	10	20	HHCD	
C=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728839510	QUHSEYCNHJQBEG-UHFFFAOYSA-N	417.431	3.770	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(Br)ccc2OC)c1	728952052	KDFJEUVQRHMDJL-LLVKDONJSA-N	409.280	3.732	10	20	HHCD	
CC(C)[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(-c2cccnc2)no1	729607445	ZHSONVMYADHTMP-FQEVSTJZSA-N	420.517	3.711	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc3nncn3c2)cc1	732114629	JCHWXECYBCJWSS-UHFFFAOYSA-N	401.470	3.651	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(C)c1C	735406389	BXYZBAOPYWJRQL-UHFFFAOYSA-N	418.496	3.965	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](SC)c3ccccc3)cc2F)CC1	739563403	KAUYQFCCXYAXRO-NRFANRHFSA-N	401.551	3.688	10	20	HHCD	
Cc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1N1CCCS1(=O)=O	740850079	SNPIDYYZRVSWCX-UHFFFAOYSA-N	424.526	3.590	10	20	HHCD	
CC1(C)CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c2cccc(Cl)c21	741099920	NDRMPVQOZWIJQA-UHFFFAOYSA-N	409.917	3.657	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	743811671	AIJQVWNDEXPECB-KRWDZBQOSA-N	400.954	3.994	10	20	HHCD	
O=S(=O)(Cc1ccc(Br)cc1)NCCCSc1nccs1	746403326	DHABVFKZLHJEAV-UHFFFAOYSA-N	407.380	3.507	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1	748963030	YFOCCTVFNLFOTI-NRFANRHFSA-N	422.573	3.884	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(OCC(F)(F)F)nc1	751306609	AJUNXGSHBHJHHE-UHFFFAOYSA-N	413.359	3.985	10	20	HHCD	
COC(=O)CN(Cc1cccc(SC(=O)N(C)C)c1)Cc1cc(Cl)ccc1O	752288012	QNNLFNDPVMDAPB-UHFFFAOYSA-N	422.934	3.995	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(CCCN(C)c3ccccc3)C2=O)c[nH]1	753137767	JZUWTXRALWWTIN-SFQUDFHCSA-N	415.540	3.529	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)CCc2ccoc2)NC(=O)OC(C)(C)C)cc1	753316049	ODWWNOJFCGBVMK-IBGZPJMESA-N	401.507	3.660	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc3ccccc3o2)cc1	753982587	SJJGSGJYAMAEAN-UHFFFAOYSA-N	408.501	3.775	10	20	HHCD	
O=C(NCCNc1ccc(-c2ccccc2)nn1)NCc1ccc(N2CCCC2)cc1	754362620	MDNSGAVZZKQLHF-UHFFFAOYSA-N	416.529	3.655	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2ccc(OC(F)F)c(F)c2)SC1=S	754679243	BRPZRBOBBFBEKE-XYOKQWHBSA-N	405.419	3.582	10	20	HHCD	
COc1cc(CN2CCC(C(=O)NCCCOC(C)C)CC2)c(O)c(C(C)(C)C)c1	754731848	KHPZVIJIJSPZFC-UHFFFAOYSA-N	420.594	3.842	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4cc[nH]n4)s3)cc2F)C[C@H](C)O1	761578017	UDQZWIYKBICKTB-KBPBESRZSA-N	414.506	3.821	10	20	HHCD	
CCCc1c(C(=O)NCCc2ccc(O)c(O)c2)nnn1-c1cccc(C(C)C)c1	762267429	LVMWSLAXRHLERG-UHFFFAOYSA-N	408.502	3.727	10	20	HHCD	
Cc1noc(C)c1S(=O)(=O)Nc1nc(-c2ccccc2)c(Br)s1	764534490	QMEMHFLZFNSUIS-UHFFFAOYSA-N	414.306	3.978	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](NC(=O)NCc1ccccc1)C(C)C	764894418	IAKBHRUQHQAJMS-JOCHJYFZSA-N	410.562	3.625	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCO[C@@H](c2ccccc2)C1	765327312	UQUPEYMRCYBYPO-LADGPHEKSA-N	423.557	3.615	10	20	HHCD	
O=C(NCCc1nc2c(s1)CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1	766266891	OQFRHDOXPNRCOX-KRWDZBQOSA-N	415.559	3.661	10	20	HHCD	
Cc1ccn(-c2ccc(C(=O)Nc3cccc(N4CCN(C(C)C)CC4)c3)cc2)n1	767384092	ZRVIJIRLPJGEJS-UHFFFAOYSA-N	403.530	3.963	10	20	HHCD	
Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cc3c(cc2O)CCCC3)CC1	768440587	AERAFQMJDAFWHU-UHFFFAOYSA-N	407.558	3.644	10	20	HHCD	
COc1cc(CN2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c(O)cc1C	768464240	PFEJTUXJWYUGNH-UHFFFAOYSA-N	408.539	3.605	10	20	HHCD	
COc1cccc(CNC(=O)CCSc2ncnc3sc(C)c(C)c23)c1O	769508294	WKNYSVATGVKTCV-UHFFFAOYSA-N	403.529	3.821	10	20	HHCD	
CCn1nc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c2ccccc21	769723018	JAHOJLATHLUDAB-GZTJUZNOSA-N	408.508	3.561	10	20	HHCD	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769943076	QQFIIEPXFZVREK-OLZOCXBDSA-N	410.923	3.681	10	20	HHCD	
C[C@H](NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl	772771703	XQIHJYCRDQWHBD-UFVHFEBBSA-N	410.253	3.838	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccc(N(C)C)cc1	773090290	XADMKPQHNBMDBA-HNNXBMFYSA-N	403.548	3.777	10	20	HHCD	
COc1ccc2c(c1)OC[C@@H](N[C@H](C)c1ccc(N3CCOCC3)cc1Cl)C2	773139058	MPFHGDZJBOTRMQ-WBVHZDCISA-N	402.922	3.840	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](c2ccc(F)cc2)c2cnn(C)c2)cc1	773231928	SKIYEAJLMLKNLV-JOCHJYFZSA-N	409.509	3.994	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)c1O	774341526	ARLNHJYPAJGITP-XIKOKIGWSA-N	423.307	3.739	10	20	HHCD	
CC[C@H](NCCNC(=O)c1ccc(OC)cc1)c1cc(Br)ccc1O	775519614	MTSLZMWYBYPLTJ-KRWDZBQOSA-N	407.308	3.634	10	20	HHCD	
C[C@@H](NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)c1ccc(N(C)C)cc1	776249993	RRPQRNPHEZFJPB-ACJLOTCBSA-N	421.950	3.637	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	788544646	FWVQXIWCVPSLFT-RBSFLKMASA-N	402.470	3.781	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)c1	789463955	MSQRHXKCSGDLGC-DVZHBHJUSA-N	415.515	3.577	10	20	HHCD	
CCn1ccc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	790397088	JHGRCZOXBFSGRH-QGZVFWFLSA-N	406.477	3.920	10	20	HHCD	
Cc1cc(C(=O)N2CCn3cnnc3[C@@H]2C)c(C)n1-c1ccccc1Br	791161029	HMLQHFLWOAJJLU-AWEZNQCLSA-N	414.307	3.665	10	20	HHCD	
O=C(OCc1cc(Br)no1)c1cccc2c1C(=O)c1ccccc1C2=O	795234564	WDFXAXHPPMMYDK-UHFFFAOYSA-N	412.195	3.570	10	20	HHCD	
Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1-c1cccc(Cl)c1	797642597	HZQXKEQXFSGTEJ-LBPRGKRZSA-N	400.866	3.998	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	797647227	BHHPGUKLTSIFFD-ABKXIKBNSA-N	404.335	3.910	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)c1	797745172	XGFPUCQCXXYEAF-ZDUSSCGKSA-N	421.490	3.747	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Cl)c4ncccc34)c2)CC1	800951363	JKOSKDLCJQBVJI-UHFFFAOYSA-N	408.889	3.809	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3nc(C4CCOCC4)cs3)CC2)cc1	806726172	OCVPRZMJWNHKTM-UHFFFAOYSA-N	416.547	3.790	10	20	HHCD	
CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	807700028	FAZOEYJDVQSTLX-UYAOXDASSA-N	416.543	3.695	10	20	HHCD	
CCCCCn1c(SCC(=O)C(C)=O)nc2ccc(Br)cc2c1=O	808014150	FQSDLCZDNAMTFI-UHFFFAOYSA-N	411.321	3.599	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(OC)c(Br)c(OC)c1	808096892	KSZFZAQSQPSJOV-UHFFFAOYSA-N	415.280	3.588	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N2CCNc3ccccc3C2)c([N+](=O)[O-])c1Br	811726258	XCINLNGKUVIPOD-UHFFFAOYSA-N	423.223	3.706	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCOC[C@@H](C2CCC2)C1	813623260	XBZLDPKXZNDIEY-KRWDZBQOSA-N	423.504	3.715	10	20	HHCD	
Cc1cc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)nc(N2CCCC2)n1	813861316	QSQUWJYLGLMURF-UHFFFAOYSA-N	421.501	3.596	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1C[C@H](c2ccc(F)cc2)C1	814426200	PDBFRAJKHANAHN-UAPYVXQJSA-N	415.484	3.671	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1CC(c2ccc(F)cc2)C1	815952085	ZAZGQMSTZRPAFL-UHFFFAOYSA-N	405.853	3.880	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1	838642996	WVBYJPZCFLFDNH-OALUTQOASA-N	404.599	3.562	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1	914725657	RWNLGRPHSHRRNI-UHFFFAOYSA-N	422.489	3.601	10	20	HHCD	
COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1OC	915222619	NOQPTDGQBFPSFM-UHFFFAOYSA-N	420.512	3.945	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)n1	915619984	SDRJWQLOGVFMOD-UHFFFAOYSA-N	418.541	3.527	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)Cc1ccccc1	916983193	ITGAGQFTOGEPAR-KDURUIRLSA-N	413.537	3.578	10	20	HHCD	
CCc1cccc(CC)c1NC(=S)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	917595581	AIJIWKOZYVBYEZ-HXUWFJFHSA-N	424.614	4.000	10	20	HHCD	
COCCc1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1	917902884	XTQYBJZZYRPALG-UHFFFAOYSA-N	409.558	3.873	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cc1	918112824	NUYBRLZORSTOJH-UHFFFAOYSA-N	424.570	3.981	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H](c1cccs1)C1CC1	918199671	NNBQRAGKLKUIFC-FQEVSTJZSA-N	403.523	3.799	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC(c4ccc(O)cc4)CC3)CC2)cc1	1115957162	TZHMBTRLGUYYHW-UHFFFAOYSA-N	409.530	3.959	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3c(C)nc(C(C)C)nc3SC)CC2)cc1	1319624439	KXBZXFIDHQDSQI-UHFFFAOYSA-N	414.575	3.991	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)cc1	1340945514	PMFYAPABAYUPEZ-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
C/C=C(\C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821294883	VDLIIFLDAOTWFJ-ZXDCMVLGSA-N	418.881	3.746	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1	7850384	IHSMRXIATHTVBS-UHFFFAOYSA-N	400.478	3.889	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1	18215001	ZLZQRUDCESZDHQ-UHFFFAOYSA-N	411.509	3.989	10	20	HHCD	
Cc1nc(C)c(-c2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)o2)s1	43794931	PLBXNSMZCYMWMU-UHFFFAOYSA-N	417.560	3.627	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccs3)C2=O)c(C)n1-c1ccccc1	53863660	GOKWZZLMQDSTEZ-QFIPXVFZSA-N	407.495	3.806	10	20	HHCD	
COc1ccc(Cl)cc1NCCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	109345374	QZPHOPZEAOZLAR-MRXNPFEDSA-N	417.937	3.865	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1	216909140	PLZKFTCTIJIDDX-RISCZKNCSA-N	423.296	3.938	10	20	HHCD	
CN(C)c1ccc(CNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1	237125310	FXMSNYOBUYLWQA-NRFANRHFSA-N	407.480	3.935	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)c(C)n1-c1ccccn1	261468159	WMAFHAJTWXVLGA-SFHVURJKSA-N	400.523	3.768	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2c[nH]c3ncccc23)C1	444267305	JYKQVJHSQKQGFL-UHFFFAOYSA-N	415.541	3.643	10	20	HHCD	
CSCC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1nnc2ccccn12	471509293	VOMAUSSBGCPAPJ-KRWDZBQOSA-N	422.558	3.823	10	20	HHCD	
Cc1cc([C@@H](NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)C2CC2)ccc1F	561627719	DTQHDEFJRJTXLL-QFIPXVFZSA-N	407.489	3.818	10	20	HHCD	
CN(C)C(=O)C[C@@H]1CN(Cc2cn(C)nc2-c2cccnc2)c2ccc(Cl)cc21	576553417	XPMSAARFLMXZMI-MRXNPFEDSA-N	409.921	3.718	10	20	HHCD	
O=C1NC2(CCCCC2)C(=O)N1CCCNCc1cc(-c2ccccc2)ccc1O	725847174	FSQQAACDSMLSOF-UHFFFAOYSA-N	407.514	3.794	10	20	HHCD	
Cc1nc(-c2ccco2)ccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	726191015	DMLQNLXIBAXLPT-UHFFFAOYSA-N	405.498	3.789	10	20	HHCD	
O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N(Cc1ccco1)Cc1ccccc1O	726245080	MYKKXOYYHOWKKL-SFHVURJKSA-N	405.454	3.503	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1	727168534	QAXZVKYQOWDBFR-UHFFFAOYSA-N	424.541	3.839	10	20	HHCD	
C/C(=C\C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1Cl	727308340	KVLJABTURNNPHS-QCUIPMNBSA-N	411.933	3.761	10	20	HHCD	
Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731016832	PULLJVIVGFQDSJ-KQWNVCNZSA-N	416.529	3.532	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3S(C)(=O)=O)cc2)CC1	731105327	KXJVZQJXBITIIX-UHFFFAOYSA-N	401.532	3.648	10	20	HHCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2sccc2Br)cc1F	731356519	HLORGRPCJHAUKX-UHFFFAOYSA-N	421.357	3.974	10	20	HHCD	
Cc1cc(O)c(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1C(C)C	732980049	SHEHEFXBKBHYAT-UHFFFAOYSA-N	422.513	3.612	10	20	HHCD	
CC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	734066285	QWZWCJFIYLHYRR-REWPJTCUSA-N	420.557	3.607	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](Cc3ccccc3)C3CC3)cc2F)CC1	736668542	WKTQWRIPXAOLQZ-HSZRJFAPSA-N	424.564	3.788	10	20	HHCD	
CS(=O)(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl	741070671	LYVLUQKTAFVSAT-UHFFFAOYSA-N	422.938	3.633	10	20	HHCD	
Cc1c(F)cccc1S(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	742288830	MKTTWSJXMNRUPF-UHFFFAOYSA-N	414.449	3.683	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1F	742654311	UHVGOAQAXXXNTJ-QFIPXVFZSA-N	411.521	3.788	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1occc1CN1C(=O)Cc2ccccc21	743717164	HDHHGWUVUWJZMF-UHFFFAOYSA-N	416.477	3.883	10	20	HHCD	
COc1ccc2c(c1)OCC[C@@H]2NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	745861353	KPJPRNMXKPTPBD-ICSRJNTNSA-N	412.486	3.615	10	20	HHCD	
CN(Cc1ccc(O)cc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745903931	KCKJKHXUMXDBCN-INIZCTEOSA-N	405.445	3.804	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccn(Cc4ccncc4)n3)c2C)cc1	748783243	IIZQUHCLSHXRRI-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
O=C(Cn1c(-c2ccccn2)noc1=O)Nc1ccc(N=Nc2ccccc2)cc1	749358096	OYJWXXZCICSQNS-UHFFFAOYSA-N	400.398	3.952	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1	751317812	HMWTYVZSVYAPEQ-SECBINFHSA-N	407.822	3.695	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1Cl	753206007	FHPZEZCMYPURAZ-NVXWUHKLSA-N	414.937	3.602	10	20	HHCD	
COc1ccc([C@H](NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C2CC2)cc1	753821658	XETWVAJMYDTHGM-JOCHJYFZSA-N	413.493	3.826	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(OCC(F)F)cc3)CC2)cc1F	753895376	QTDVIEIDHCDJBG-UHFFFAOYSA-N	409.408	3.832	10	20	HHCD	
C[C@H](NC(=O)N1CCO[C@@H](CCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	754170848	YFZMJQRRFWXAJZ-RDPSFJRHSA-N	423.557	3.627	10	20	HHCD	
C[C@H](NC[C@@H]1CCCN(C)C1)c1cc(Br)cc(Br)c1O	756550663	JKBZSMWUNYFNSC-QWRGUYRKSA-N	406.162	3.910	10	20	HHCD	
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1	757263406	QAMSNABYQMELFA-QGZVFWFLSA-N	419.865	3.845	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc3c2oc(=O)n3C)cc1	757931369	OTDWZXRHGMJSAA-UHFFFAOYSA-N	405.454	3.633	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccco3)CC2)cc1	758739490	IVQAFSNDRYGHEI-FPOVZHCZSA-N	413.518	3.555	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)CC(F)F)c(C)n1-c1cccc(Br)c1	760684937	MQPNKHCNVNWERA-ZDUSSCGKSA-N	401.251	3.603	10	20	HHCD	
COc1ccc(Br)cc1/C=C1/SC(=S)N(Cc2ccon2)C1=O	764419072	XBJSNYYIGRVXEN-NTUHNPAUSA-N	411.302	3.847	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(OC)c(OC)c1	765256089	TVVSEQFKOIYGGR-CTNGQTDRSA-N	411.546	3.646	10	20	HHCD	
Cc1sc2ncnc(SCCC(=O)NCCc3ccc(O)c(O)c3)c2c1C	767775005	SYMVMFBJXZOARK-UHFFFAOYSA-N	403.529	3.560	10	20	HHCD	
CC1(C)C[C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc21	770346268	BWKQWCUVDURDJA-AVRDEDQJSA-N	420.557	3.610	10	20	HHCD	
CCC[C@]1(CO)CCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	770703196	ZZIXKXWZHLXIMM-IIBYNOLFSA-N	411.493	3.593	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	770840201	NGNJWKFJRLWRSF-SIKLNZKXSA-N	412.917	3.962	10	20	HHCD	
Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	773743713	IGWIPHOSHDPYLH-AWEZNQCLSA-N	410.470	3.572	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3ccc(F)cc3)C3CCCC3)nc12	775178524	WRKJNRNVDUWXQP-HXUWFJFHSA-N	412.465	3.772	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)c(C)c(C)c1O	775291204	FNALBVWUFDJEBI-UHFFFAOYSA-N	420.306	3.640	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3c(OC)ccc(SC)c3OC)CC2)cc1	775665672	IPGLVDGFFLEMCL-UHFFFAOYSA-N	416.543	3.787	10	20	HHCD	
COCC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(C)o1	778630849	QRJKOTWFJVPNCE-PXNSSMCTSA-N	401.507	3.563	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(Cl)cc(F)c1O)c1ccc(Br)cc1	779173164	BVHANQYGBGEGJG-AWEZNQCLSA-N	402.647	3.951	10	20	HHCD	
OCC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1Br	781639021	NRDVQLVZNCQKPZ-LJQANCHMSA-N	423.326	3.638	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)c(O)c1O	790215959	ORMWINPGXWOZMJ-UHFFFAOYSA-N	405.292	3.885	10	20	HHCD	
O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1cccc(O)c1O	790778924	NXBZKRYUOUWUMH-UHFFFAOYSA-N	402.248	3.552	10	20	HHCD	
CN1CCC(Oc2ccc(CNC(=O)NCc3c(O)ccc4c3CCCC4)cc2)CC1	790919884	BDYMHHGKCSOVJO-UHFFFAOYSA-N	423.557	3.743	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1	793536716	USSBEKYUQDCFCL-QHCPKHFHSA-N	421.516	3.866	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(NC(=O)OCC)cc1	802609610	FOFBBLUIHPDLGP-UHFFFAOYSA-N	413.474	3.728	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2cccs2)C(C)C)cc1F	804853340	OPPSSTVJUZVJHU-UHFFFAOYSA-N	405.539	3.787	10	20	HHCD	
Cc1cccc(CCCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1	804968936	KMWOYLYPQXQTSD-ROUUACIJSA-N	414.525	3.575	10	20	HHCD	
CC[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C[C@@H](C)S1(=O)=O	805395269	LDPHIRQFIBWUPM-KDOFPFPSSA-N	408.951	3.785	10	20	HHCD	
CC[C@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1O	806164525	VTRFTNYSCLLKDC-KRWDZBQOSA-N	400.903	3.546	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H](C1CC1)C(F)(F)F	806685596	VNIOERZPLRSOII-HNNXBMFYSA-N	407.383	3.897	10	20	HHCD	
CC(C)C[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1	808078534	VMJPRLSYUVEXGN-FPOVZHCZSA-N	416.562	3.763	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	915084000	UNQBBSBMNBLYDF-LJQANCHMSA-N	411.933	3.605	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3Cc4ccccc4S3)cc2F)C[C@@H](C)O1	917714699	NPWLJDBYJJVWFE-VTJXTGGHSA-N	400.519	3.773	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C	917916697	AESDOIRMPSYVNP-IRXDYDNUSA-N	406.523	3.535	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F	918444203	NJWFTEYGCFUCLV-UHFFFAOYSA-N	416.783	3.584	10	20	HHCD	
Cc1ccc(C)c(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1	920179765	CNNUHISCZXGFDN-UHFFFAOYSA-N	405.521	3.849	10	20	HHCD	
CCOC(=O)c1nc(N2CCN(c3ccc(OCC)cc3)CC2)cc(C(C)(C)C)n1	1324349848	BODFTEMTECDONR-UHFFFAOYSA-N	412.534	3.676	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@@H]2C2CC2)C3)cc1	1845397760	PUZRJOQSYYLWSZ-DHIUTWEWSA-N	417.553	3.957	10	20	HHCD	
Cc1ccnc([C@H](NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)C2CC2)n1	444326659	PHSVCZGIUXYDLW-XMMPIXPASA-N	417.557	3.774	10	20	HHCD	
Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cc12	727248340	AYHPDGIPDIORCT-UHFFFAOYSA-N	419.919	3.854	10	20	HHCD	
COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1O	727762214	CUAICWTUHPBRJR-MRXNPFEDSA-N	423.296	3.629	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)c1	728947239	RRRXCXYHAJDFGY-HNNXBMFYSA-N	406.486	3.636	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)c1	729280030	HJFDOZYGACHQQZ-GHMZBOCLSA-N	411.285	3.703	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCC(N4CCCC4=O)CC3)c2C)c1	729483382	UNOWCRXIDORANZ-UHFFFAOYSA-N	407.558	3.980	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=S)Nc3ccc(C)c(F)c3)cc2F)CC1	730156384	JKUVDPGOHDAFQV-UHFFFAOYSA-N	404.530	3.902	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1	734663148	JDTKQTMQLYEWHB-UHFFFAOYSA-N	417.513	3.708	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1	734687150	KQQMOWLZPZOXLX-UHFFFAOYSA-N	409.534	3.557	10	20	HHCD	
O=c1c2ccccc2ncn1CCN(Cc1cccs1)c1ccc2c(c1)OCCO2	735309868	MGKFMULXOWPTCS-UHFFFAOYSA-N	419.506	3.936	10	20	HHCD	
Cc1cc(CCNC(=O)NC2CCN(CC(F)(F)F)CC2)c(C)n1-c1ccccc1	742770206	MIRPHVQFJRSOCG-UHFFFAOYSA-N	422.495	3.963	10	20	HHCD	
O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742798981	FEKMWZFBVWVLNJ-OAHLLOKOSA-N	414.456	3.882	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)cc1	743205987	XGIFGTZGQRBFLV-UHFFFAOYSA-N	407.518	3.555	10	20	HHCD	
COc1ccccc1-c1noc([C@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)n1	743706377	ZSTIJYYTPSAOFP-HNNXBMFYSA-N	421.501	3.688	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)c1nnnn1-c1ccccc1	743870876	FLMGGZKFHWWDCN-CYBMUJFWSA-N	402.296	3.714	10	20	HHCD	
CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	745692381	VGXIRVSAIVJVED-FGZHOGPDSA-N	422.573	3.551	10	20	HHCD	
Cc1nn(C)c(C)c1-c1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n[nH]1	747518446	LXRGUMHCYSJCTL-UHFFFAOYSA-N	405.458	3.568	10	20	HHCD	
CCN(CC)CCOc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1OC	749001338	FMCGRHSGKBTCIB-UHFFFAOYSA-N	401.507	3.785	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O	749670701	NDEXLMLHHQFDQS-NHCUHLMSSA-N	400.438	3.815	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C12CCCCC2	750637019	JDMIPZIXBIMNIH-LEWJYISDSA-N	419.541	3.589	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1	750664222	WXVZMJRWIHZULM-JOCHJYFZSA-N	417.509	3.532	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	753640050	GZQZOLAAHBYGSS-MRXNPFEDSA-N	414.465	3.707	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c(C)n1-c1ccc(Cl)cc1	753710784	YFNSRFYINPBCQH-VQTJNVASSA-N	420.962	3.929	10	20	HHCD	
Cc1cc(CC(=O)NCC(C)(C)N2CCOCC2)c(C)n1-c1ccc(Cl)cc1	754750659	ZCMNWKLMTLISGQ-UHFFFAOYSA-N	403.954	3.517	10	20	HHCD	
COC(=O)C1CCC(NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1	756054046	PYMJTUYKLXEWFH-QLOJAFMTSA-N	419.566	3.640	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H](c1cccs1)N1CCCC1	760942343	FFECWLLCGFFXPB-MRXNPFEDSA-N	419.934	3.708	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1	763583105	ORTIVOHGJJVFNO-STQMWFEESA-N	407.873	3.832	10	20	HHCD	
C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(N2CCCCC2)c(F)c1	765333421	UXIJYGGZUVMRMA-GCJKJVERSA-N	407.599	3.675	10	20	HHCD	
COc1cc(C(F)(F)F)ncc1NC(=O)NCc1cccc(Br)c1O	765390957	TYOULHLKSRFCGA-UHFFFAOYSA-N	420.185	3.899	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccccc1COC1CCOCC1	765727340	MCWQCILYHUBVRY-UHFFFAOYSA-N	420.303	3.780	10	20	HHCD	
CCOc1ccc(C(=O)CCC(=O)NCc2cccc(Br)c2O)cc1	765728529	VEPRWGFTHXFUOW-UHFFFAOYSA-N	406.276	3.833	10	20	HHCD	
COc1ccc(Br)cc1C(=O)NCc1cccc(Br)c1O	765750252	DLIGXCYENAIMQR-UHFFFAOYSA-N	415.081	3.856	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1sc(N2CCCC2)nc1Cl	765751735	JQCAVFMVKISFQV-UHFFFAOYSA-N	416.728	3.795	10	20	HHCD	
CN(c1ccc(CNC(=O)NCCc2cn3c(n2)SCC3)cc1)C1CCCCC1	767312619	MYYOYIIYIDWAPE-UHFFFAOYSA-N	413.591	3.800	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)Cc1ccc(C)c(F)c1	768843514	MHJDUVRXQTXXKC-UHFFFAOYSA-N	416.312	3.954	10	20	HHCD	
CC(C)N(C)C(=O)C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	768871080	HKALUWSTVLOHSZ-UHFFFAOYSA-N	402.539	3.664	10	20	HHCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(OCC(=O)NC2CC2)cc1	773621764	DSNUQTCRMSCVNJ-SJORKVTESA-N	424.545	3.531	10	20	HHCD	
Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773847196	QPMAALVFHGWACW-AWEZNQCLSA-N	418.335	3.948	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccc(N(C)C)cc1	773857369	NCHBPGYXYWDNDV-ZDUSSCGKSA-N	409.408	3.510	10	20	HHCD	
C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(N(C)C)cc1	773988074	IWVSDZVNVPKDSI-HNNXBMFYSA-N	424.570	3.670	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@@H](c4ccc(F)cc4Cl)C3)cc2)CC1	775992638	UZYXBEROGUCJKB-JOCHJYFZSA-N	403.929	3.804	10	20	HHCD	
O=C(Nc1ccnn1CC1CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	776027857	QGABCZDSSADBIN-HNNXBMFYSA-N	405.449	3.685	10	20	HHCD	
CC(=O)c1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)nc1C	776851615	LPWZPNMMXWOZIN-MRXNPFEDSA-N	417.456	3.901	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F	777828998	SKYUAEKCWXEBRN-KGLIPLIRSA-N	409.816	3.629	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cnc1N1CCCC[C@@H]1C	780656356	QCEABDAJYSQTOL-IBGZPJMESA-N	423.561	3.927	10	20	HHCD	
COC(=O)c1sccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	782896263	PIEYVTNHIGJTQC-UHFFFAOYSA-N	416.499	3.540	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2c(Cl)cccc2S(C)(=O)=O)C2CC2)cc1	784038256	ICYPBUXIPDDYOZ-UHFFFAOYSA-N	406.935	3.614	10	20	HHCD	
COc1cc(C)c(S(=O)(=O)NCc2cccc(Br)c2O)cc1Cl	788678658	ASQYDFFTIKYGEB-UHFFFAOYSA-N	420.712	3.604	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@H](CC1CC1)c1ccccc1	789859766	HIMRCGYZBZLSEF-JOCHJYFZSA-N	423.582	3.514	10	20	HHCD	
CCN(CCS(=O)(=O)c1ccc(F)cc1)Cc1cc(Br)ccc1O	790297130	LEXSPEUEVYIALD-UHFFFAOYSA-N	416.312	3.590	10	20	HHCD	
CO[C@]1(C)CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1	791841892	GSJINPNKMYIRQN-LJQBUTKESA-N	424.613	3.757	10	20	HHCD	
CN(C)c1ccc(CNCCNC(=O)c2c(F)cccc2F)c(C(F)(F)F)c1	792983195	OGYOZJJVXFTOJT-UHFFFAOYSA-N	401.379	3.569	10	20	HHCD	
COC(=O)c1nc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)c(F)c2)sc1C	793244196	VSUMUVOEHKZJNK-SFHVURJKSA-N	419.522	3.551	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1	793543057	UCCFLLXCZUUNNE-QFIPXVFZSA-N	411.521	3.864	10	20	HHCD	
CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2O)c(C)c1	797389036	MLBUEPJNYHOJTF-AWEZNQCLSA-N	402.516	3.855	10	20	HHCD	
COc1ccc(CNC(=O)Nc2cc(OC)c(OC)cc2Br)c(O)c1	797618028	AVHINCFBCAJNQW-UHFFFAOYSA-N	411.252	3.502	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c(O)c1	797643822	IOFRHNBGWBDZMT-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)CCc3cnccn3)cc2Cl)C1	799994035	HLSFTNYOPCDKGK-MRXNPFEDSA-N	401.942	3.750	10	20	HHCD	
COc1cc(Br)cc(CN(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c1O	800543461	CATSSYYEXOAXQZ-AWEZNQCLSA-N	421.335	3.815	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCCS(=O)(=O)c1ccccc1	802041875	HQGKFTWVSPCASB-UHFFFAOYSA-N	404.532	3.568	10	20	HHCD	
Cc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)nn1-c1cccc(F)c1	804251538	MHILFDUEFRYNDJ-UHFFFAOYSA-N	414.824	3.648	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N(C)[C@H](c3ccccc3)C(C)C)CC2)cc1	804317186	VPEIPVOVWCLBEZ-QHCPKHFHSA-N	423.557	3.636	10	20	HHCD	
CCN(CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)Cc1ccccc1Cl	806614018	HRWUPUUAVQJTNA-GOSISDBHSA-N	415.965	3.876	10	20	HHCD	
O=C1/C(=C/c2cn3ccc(Br)cc3n2)SC(=S)N1c1cccnc1	811686238	ROMFWACWEHLVSV-QPEQYQDCSA-N	417.313	3.898	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)Nc2cccc(CN3CCNC(=O)C3)c2)c1O	812742577	WGGAUQQQVJRXNZ-CQSZACIVSA-N	418.335	3.568	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C(F)(F)F)cn2)cc1	844271168	VXBKXNKJLSZSMQ-GOSISDBHSA-N	407.436	3.988	10	20	HHCD	
CCOc1ccc(CN(C)C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	914905238	GUIKVHQTRMQKIS-UHFFFAOYSA-N	421.497	3.703	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1	917472858	CBJHKUKZWCUPFB-UHFFFAOYSA-N	407.492	3.919	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)s1	917873220	WZBXKKQXAPWARB-UHFFFAOYSA-N	400.528	3.829	10	20	HHCD	
CC(C)CCOC1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	918220311	AQJPVJLEMVGNRC-UHFFFAOYSA-N	421.557	3.524	10	20	HHCD	
CN(Cc1ccncc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	920441731	AAOKHHGPDOLRSC-FOWTUZBSSA-N	417.581	3.783	10	20	HHCD	
CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	9347082	QBNOQWBEIWDNIB-UHFFFAOYSA-N	419.458	3.508	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)cc1	24187406	WNNOEQRZWFYDBH-MRXNPFEDSA-N	418.563	3.548	10	20	HHCD	
Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1	108286895	GDOXHCKTYSTOFT-KZNAEPCWSA-N	400.494	3.831	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC2(N3CCSCC3)CCCC2)cc1	195564041	BNBXIDGOWREJPX-UHFFFAOYSA-N	404.624	3.694	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1nnc(-c2cc3ccccc3o2)o1	437014770	FDNPJKYDWQJYMN-UHFFFAOYSA-N	418.453	3.907	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)NC(=O)c4ccccc43)ccc21	542149524	DPCGLPHQMOFYGP-OAHLLOKOSA-N	405.498	3.683	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(N3CCCC3)c2)cc1	726288511	IUVXWJFLSGVEAU-UHFFFAOYSA-N	408.546	3.730	10	20	HHCD	
CC[S@](=O)c1ccccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726565216	GXOHYAZTRHJKBW-LJAQVGFWSA-N	422.497	3.814	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC2)cc1	726705105	CMQGABVWFSQUQF-DEOSSOPVSA-N	422.573	3.800	10	20	HHCD	
O=C(COC(=O)c1ccc2[nH]ccc2c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	730854486	IBMXWOKFJXCNDT-UHFFFAOYSA-N	424.412	3.739	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1F	731345877	MIBPEHKQIFOAIW-JOCHJYFZSA-N	424.520	3.517	10	20	HHCD	
Oc1ccccc1CN(Cc1cn2cc(Br)ccc2n1)C[C@H]1CCCO1	731844696	MNJQLLLCFMGEBW-GOSISDBHSA-N	416.319	3.984	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3ccc(F)cc3F)cc2F)C[C@@H](C)O1	732674542	NYLLOIQPUCDQGA-HUUCEWRRSA-N	421.463	3.759	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1F	733040735	IFSGMLDIKVLWFP-SFHVURJKSA-N	420.573	3.756	10	20	HHCD	
Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)CC2)nc1	735516052	GGGKOJAKSZASFX-OAQYLSRUSA-N	409.530	3.520	10	20	HHCD	
CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	736547653	RNKBPUHHDAZRQL-VQTJNVASSA-N	413.518	3.975	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2ccnc(Cl)c2)NC(=O)OC(C)(C)C)cc1	742751095	RLMKQOHNIHGLME-KRWDZBQOSA-N	418.925	3.797	10	20	HHCD	
CCc1nsc(N2CCN(C(=O)c3cc(C)ccc3-n3c(C)ccc3C)CC2)n1	742906610	HYTGVMAFVHBYOD-UHFFFAOYSA-N	409.559	3.779	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(CC(F)(F)F)no3)ccc21	744950322	FIMAZPBEXQFCAY-UHFFFAOYSA-N	411.380	3.749	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCOC[C@H]1c1ccco1	745904748	SVCGSBUOSYJVPM-YJBOKZPZSA-N	421.444	3.633	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCCN1Cc1ccccc1	746280218	MWYJRFLKKZPGNM-RUZDIDTESA-N	421.585	3.566	10	20	HHCD	
CCCC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C	748376964	LOWXNXFCQDNSSZ-NRFANRHFSA-N	410.514	3.920	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccc(I)cc1Cl	748444288	UFBCHNXJCUGNSY-UHFFFAOYSA-N	402.619	3.972	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c(C)n1-c1cccc(Br)c1	749181135	KNDHPQNPIFKHFH-FUHWJXTLSA-N	418.335	3.631	10	20	HHCD	
CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	751240579	RDVOBMDGZNRDFE-UHFFFAOYSA-N	416.587	3.671	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(Br)c(Cl)c2)c1	751999987	KASJKYZRSBQNRP-VIFPVBQESA-N	420.712	3.856	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CCN2CC[C@H](OC)C2)sc(C)c1-c1ccccc1	752088886	PZTYJYQDWCBCIV-KRWDZBQOSA-N	416.543	3.950	10	20	HHCD	
O=C(NCc1c(F)c(F)cc(F)c1F)N(Cc1ccccc1O)C[C@H]1CCCO1	753038706	CHIYRLMBZZWHFF-CYBMUJFWSA-N	412.383	3.839	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1	754074301	HTCHASCFHMMKNA-JOCHJYFZSA-N	421.497	3.751	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@@H](O)c2cccc(F)c2)cc1	758012149	BSWAUTGLEDMPSG-FGZHOGPDSA-N	400.494	3.523	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c1	761322191	BRKPWLDJJVQFMN-UHFFFAOYSA-N	414.270	3.711	10	20	HHCD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	763010326	IPDQHJJKJMGTSX-MWTRTKDXSA-N	411.521	3.910	10	20	HHCD	
C[C@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc(N2CCCCCC2)cc1	764847474	REDWDRFTVMPKNT-QFIPXVFZSA-N	422.621	3.720	10	20	HHCD	
CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1	765302637	CVYUYLHDTZMOBB-ZWKOTPCHSA-N	401.576	3.997	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1	767774125	PTHGKAFXKIWFNW-SFHVURJKSA-N	420.893	3.676	10	20	HHCD	
COc1cc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(O)cc1C	768439379	KXUOTNPYHBHTHI-UHFFFAOYSA-N	409.313	3.974	10	20	HHCD	
Oc1cc2c(cc1CN1CCO[C@H](c3cc(F)c(Cl)cc3Cl)C1)[C@@H](O)CO2	768452755	SJSBMDOOCIZYPO-HKUYNNGSSA-N	414.260	3.837	10	20	HHCD	
CCc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]c(C)c1C(C)=O	768914467	CYIPBBITAWUEAF-KRWDZBQOSA-N	417.937	3.842	10	20	HHCD	
c1ccc(-c2nc(C3CCN(Cc4ccc(N5CCOCC5)cc4)CC3)n[nH]2)cc1	769224812	YPKAWNLSRRBVPT-UHFFFAOYSA-N	403.530	3.688	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1	770018197	GTFCNTZUTRGAKJ-UHFFFAOYSA-N	408.817	3.546	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cnc2ccccc2c1	770280075	MOKIOGWYXUCZPM-UHFFFAOYSA-N	421.316	3.914	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cccc(COCC2CC2)c1	771957296	ZKUGBSSWMKTTAS-UHFFFAOYSA-N	400.862	3.941	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1	772165938	HQNIHMXWMUZRIF-OAQYLSRUSA-N	423.517	3.568	10	20	HHCD	
C[C@@H](NC[C@@H](O)COCC1=CC[C@H]2C[C@H]1C2(C)C)c1ccc(N2CCOCC2)cc1	775253627	ACOOOVBRDZKOLA-XVFIICMOSA-N	414.590	3.544	10	20	HHCD	
CNC(=O)CCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	781231111	BJHPUGLEYZDAER-UHFFFAOYSA-N	408.857	3.529	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)co1	781377327	DRHKOYQEZHARTD-CYBMUJFWSA-N	403.390	3.547	10	20	HHCD	
CCOc1cccc2cc([C@H](C)NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)oc12	785539858	SBPQJPXAOZDJFH-INIZCTEOSA-N	423.513	3.733	10	20	HHCD	
CCOc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	785754138	NHCDCPQHSQPIJW-LJQANCHMSA-N	423.557	3.815	10	20	HHCD	
CC(=O)N1CC(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC(C)C)C1	788428829	HDKVUVFUIAUGPQ-UHFFFAOYSA-N	400.500	3.706	10	20	HHCD	
CCOc1ccc(NCc2cccc(OCC)c2O)cc1S(=O)(=O)N1CCCC1	796400034	ZYGLGQFBYCRYGC-UHFFFAOYSA-N	420.531	3.586	10	20	HHCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@]2(CCCOC2)O1	797396803	WXWKURMUOYGOLH-UZUQRXQVSA-N	422.485	3.837	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1OC	799184476	NFAUWGYXNSDQNP-UHFFFAOYSA-N	422.484	3.616	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccc(F)cc3)cc2Cl)C1	800571809	NMHAOPFXZLWOMG-OAHLLOKOSA-N	417.912	3.762	10	20	HHCD	
Cc1cc2cc(CNC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2[nH]1	806462997	AGIQUQDKOMMXBS-UHFFFAOYSA-N	406.530	3.684	10	20	HHCD	
C[C@H](NCCCn1cc(Br)cn1)c1cc(Br)cc(F)c1O	806660043	OKFPVLGDIIVUOX-VIFPVBQESA-N	421.108	3.994	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(F)c3Cl)cc2)CC1	806890873	DJNXNNTWQRBGSR-UHFFFAOYSA-N	403.885	3.970	10	20	HHCD	
Cc1cc(C(F)(F)F)ncc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	810265955	BPVDZGWMBTXNBS-UHFFFAOYSA-N	408.424	3.909	10	20	HHCD	
CS(C)(=O)=Nc1ccc(NC(=O)C2=S=c3c(sc4ccccc34)=C2)cc1	820373350	LTBOQYGCZRZQIU-UHFFFAOYSA-N	400.550	3.850	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cn1cnc2c(oc3ccccc32)c1=O	914505750	QEXCFBVHJYWOAH-UHFFFAOYSA-N	418.497	3.646	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1	915209696	MSSLQKCRMDNTCT-IMRHEYAYSA-N	400.563	3.828	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1	916502453	FKAXHYHZJJCQQP-UHFFFAOYSA-N	404.514	3.834	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccccc3-n3cccn3)cc2F)C[C@@H](C)O1	916681983	OYIQZXVKLIKISC-CALCHBBNSA-N	423.492	3.947	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cl)c4c(c3)OCO4)cc2F)C[C@@H](C)O1	917709071	DEFUWPPSYRSHNV-CHWSQXEVSA-N	420.868	3.751	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1	917918821	SHOYXCNAAVXZCY-ZIAGYGMSSA-N	412.914	3.571	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C2CC2)cc1	918028369	VJPBXCGPQHJMNP-UHFFFAOYSA-N	423.485	3.945	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)N[C@@H](c2ccccc2)c2nccn2C)C2CC2)cc1	918063117	RIYUXMMMHXBUFT-QFIPXVFZSA-N	403.530	3.950	10	20	HHCD	
Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)c1	918123378	VPZWPKBKSGCMEJ-FPOVZHCZSA-N	422.573	3.908	10	20	HHCD	
Cc1cccc(C(C)C)c1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918295567	QNEVWNOHUYIYIN-IBGZPJMESA-N	410.514	3.970	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)oc2ccc(F)cc12	919971412	WRWIUOABNJIQFS-UHFFFAOYSA-N	400.425	3.911	10	20	HHCD	
Cc1cc(CC(=O)OCCNC(=O)c2ccncc2)c(C)n1-c1ccc(Cl)cc1	920118030	ZSPRNNJLCNTEOP-UHFFFAOYSA-N	411.889	3.658	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c(OCC(F)(F)F)c1	920189084	CZNUJMHDSDCBLB-UHFFFAOYSA-N	423.435	3.599	10	20	HHCD	
CSc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1[N+](=O)[O-]	920494330	JZJXHBVNQPLXND-MRXNPFEDSA-N	402.472	3.844	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1	1318240059	CSTHKJXAQYJWFY-UHFFFAOYSA-N	405.454	3.798	10	20	HHCD	
C[C@H](NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1	1319290193	MTXPGFCNXYPOLG-SJORKVTESA-N	409.546	3.816	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cc2cc(F)ccc2s1	7104438	GKAOAUWEGXNUHY-UHFFFAOYSA-N	400.475	3.922	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)cc1	52339575	FNPORUAGKMYGRG-UHFFFAOYSA-N	401.482	3.714	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c(C)n1-c1ccccn1	108125659	UFUGELAYRUJHHV-UHFFFAOYSA-N	405.502	3.949	10	20	HHCD	
CCCCN1C(=O)CC[C@H](C(=O)NCc2ccccc2O)[C@@H]1c1ccccc1OC	109678749	ITUJNOOFNCPDQN-CVDCTZTESA-N	410.514	3.797	10	20	HHCD	
Cc1cc(C)n(Cc2cccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)n1	109760102	ZDUFIBULBKGLTQ-UHFFFAOYSA-N	418.541	3.657	10	20	HHCD	
CC[C@@H](NCCn1cc(Br)cn1)c1cc(Br)ccc1O	380443083	CKCULTUEITWPCS-CYBMUJFWSA-N	403.118	3.855	10	20	HHCD	
CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21	427387683	ULTWJXADNBJJJI-UHFFFAOYSA-N	409.408	3.993	10	20	HHCD	
Cc1cc(Br)cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1	472790316	NIXUBTMZSMJION-UHFFFAOYSA-N	414.303	3.813	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(=O)c2ccccc2o1	726566071	XYJILOXXOJLGRX-UHFFFAOYSA-N	414.408	3.793	10	20	HHCD	
O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726609366	VATUJMGNTPKELI-UHFFFAOYSA-N	406.389	3.987	10	20	HHCD	
COc1ccccc1/C=C1\SC(=S)N(CCc2ccc3c(c2)OCCO3)C1=O	726801379	IFLGTOHTDKXZCY-UYRXBGFRSA-N	413.520	3.910	10	20	HHCD	
Cn1ccc2c(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)cccc21	727038085	SVEIKYDXYSEROY-UHFFFAOYSA-N	403.438	3.644	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(c3)NC(=O)CN4)c2C)c1	727523956	NHNCOSOKNQHEKF-UHFFFAOYSA-N	417.465	3.806	10	20	HHCD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728837394	RRXQVYJCZSYGFQ-CRAIPNDOSA-N	402.457	3.618	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2N(C)C)cc1F	731408577	RDELCVDBYPHWDI-UHFFFAOYSA-N	420.916	3.646	10	20	HHCD	
CC(C)C[C@@H]1COCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	733848499	XXNOXNIBTQGYHB-GOSISDBHSA-N	411.493	3.713	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1	734066581	ACBJXPOEJDGEGS-UHFFFAOYSA-N	420.391	3.605	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@H]2OCCc3ccccc32)cc1	734432714	QAUWLTPBUDIQMO-ISKFKSNPSA-N	408.542	3.964	10	20	HHCD	
CN(CCCO)C1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	734486500	BRVNALOSJHNLBG-UHFFFAOYSA-N	409.534	3.819	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1	734687347	VSVSJKIZNMGUAC-UHFFFAOYSA-N	418.545	3.935	10	20	HHCD	
CC(C)COc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1	735191098	HDKDRTORINWIJB-UHFFFAOYSA-N	424.545	3.704	10	20	HHCD	
Cc1cc(C(=O)OCc2cc(=O)c(O)co2)c(C)n1-c1cccc(Br)c1	736792355	CQLWWZLGDDNPBL-UHFFFAOYSA-N	418.243	3.872	10	20	HHCD	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	741924088	DDFRMAHLVVVZHY-CQSZACIVSA-N	420.504	3.602	10	20	HHCD	
O=C(CCCOc1cccnc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742797286	AXTPKXUWAPNMLT-MRXNPFEDSA-N	405.445	3.627	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1C(C)(C)C	742798146	KKHVRWBIJJANTJ-HNNXBMFYSA-N	406.477	3.947	10	20	HHCD	
CC(=O)N[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(Cl)cc1	743719234	VGLTUMDMLXEECU-FQEVSTJZSA-N	400.906	3.808	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCCc1ccccc1	743872611	ZKUYDWSHUQFFEC-OAHLLOKOSA-N	405.336	3.724	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccccc1C(F)(F)F	746220491	OJUPWDYTEXBGQG-UHFFFAOYSA-N	421.463	3.914	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccccc2O)cc1S(=O)(=O)Nc1ccc(F)cc1	748350443	SBTPFYALQJFQJI-UHFFFAOYSA-N	414.458	3.571	10	20	HHCD	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1c(O)ccc2c1CCCC2	750628500	YQQRJNIMQBVWAB-UHFFFAOYSA-N	411.502	3.693	10	20	HHCD	
CC(=O)[C@H]1CC(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)=NN1c1ccccc1	751301791	FNLIMVWJHAVZDM-HXUWFJFHSA-N	424.464	3.559	10	20	HHCD	
CCOc1ccccc1C(F)(F)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	753116217	ZCGKCQQXJNIXKU-MRXNPFEDSA-N	404.457	3.891	10	20	HHCD	
CC(C)n1cnc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1	753918144	GUNGFVKIHZCQNH-UHFFFAOYSA-N	414.459	3.990	10	20	HHCD	
C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc(Br)ccc1O	756591292	FETUCZKDUMUHMY-XAUMDUMWSA-N	419.363	3.688	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1nc(-c2ccco2)cs1	756860730	NCEDLIGHIWIESY-INIZCTEOSA-N	413.499	3.728	10	20	HHCD	
CC(C)CN1CC[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	756985927	XYJLIMJFRIVPKW-ZWKOTPCHSA-N	424.536	3.534	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3F)CC2)cc(OC)c1OC	759934248	IKWHPMGNSAZWRN-UHFFFAOYSA-N	423.872	3.859	10	20	HHCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)O)c2)cc1	761243184	TVSXAGPYGABADK-UHFFFAOYSA-N	417.314	3.578	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc([C@H]4CCOC4)c3)cc2F)C[C@@H](C)O1	761358481	HJSKNTCTQPQUOM-LZJOCLMNSA-N	412.505	3.873	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCO[C@H](c2ccccc2)C1	762263244	KYSXCKHJARFFTA-MJGOQNOKSA-N	400.862	3.730	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCCO2	765286978	MLZAYXVASDNPTL-HXUWFJFHSA-N	400.494	3.799	10	20	HHCD	
C[C@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(N2CCCCCC2)cc1	765623763	NWXCHZQWEADPMX-AVRWGWEMSA-N	420.557	3.972	10	20	HHCD	
COc1ccc(N(Cc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccco2)cc1F	766248097	FEWBJTKHLXDNEQ-UHFFFAOYSA-N	418.490	3.884	10	20	HHCD	
CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)s4)cs3)ccc21	767673997	DBMZZSONPBUIDH-UHFFFAOYSA-N	421.525	3.909	10	20	HHCD	
COc1cccc(CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c1O	769507796	NJPALSQOFMLQQL-UHFFFAOYSA-N	416.836	3.773	10	20	HHCD	
Cc1cc2occ(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2cc1C	769894198	NQKWHBWPMIVUMR-GOSISDBHSA-N	405.498	3.681	10	20	HHCD	
CCOc1cccc(CNCc2ccc(Br)cc2N2CCOCC2)c1O	769929130	VPXODQVCDGKMEN-UHFFFAOYSA-N	421.335	3.680	10	20	HHCD	
COC(=O)c1csc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	770256277	DJOIEXNEGUDGJM-CHWSQXEVSA-N	421.494	3.609	10	20	HHCD	
CO[C@H](C)c1noc(CN2CCCN(Cc3cc(-c4ccccc4)ccc3O)CC2)n1	770282569	PFZQZMFPBPYHDD-GOSISDBHSA-N	422.529	3.858	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC2CCN(c3ccncc3)CC2)cc1F	771975766	LHIDGVKQPSESJD-UHFFFAOYSA-N	413.541	3.783	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C/c3cc(O)ccc3[N+](=O)[O-])SC2=S)cc1	772797212	MDWVQKOKNXAWKG-YBEGLDIGSA-N	401.469	3.772	10	20	HHCD	
C[C@H](NC[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl	773098222	ZMWDDYUZLRTYEW-CVEARBPZSA-N	411.974	3.988	10	20	HHCD	
CCOC1CC(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)(N2CCOCC2)C1	774479371	RKWGPIGOBUHSIC-ANYOXOOPSA-N	415.622	3.988	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N[C@H](c1ccccc1)c1cccs1	774750246	IFXVYBACRKRRPF-HSZRJFAPSA-N	407.539	3.919	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1F	775047764	BYMVLPBBYMYEFL-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CN1CCN(c2ccc(CN(C)[C@H](c3cccc(F)c3)c3cnn(C)c3)cc2)CC1	775671305	YUTBQKFYOZSCPB-XMMPIXPASA-N	407.537	3.532	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(Br)c(C)n3)CC2)cc1F	775783766	UYKVFQFJAKDOSB-UHFFFAOYSA-N	423.286	3.654	10	20	HHCD	
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCO4)n2)cc1[N+](=O)[O-]	778078239	FBYZLMHEXPBZLM-UHFFFAOYSA-N	419.440	3.556	10	20	HHCD	
CCOCCOc1ccc(Br)cc1NC(=O)NCc1ccccc1O	779098294	ASJLBFSEXHUQFO-UHFFFAOYSA-N	409.280	3.892	10	20	HHCD	
CCN(c1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1)C(C)C	781268006	CORMVBGVNJZSFG-UHFFFAOYSA-N	408.546	3.842	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCCN(C(=O)C4CC4)CC3)c2C)cc1F	781929622	NQZCNWJCXHCUSP-UHFFFAOYSA-N	411.521	3.669	10	20	HHCD	
CCC[C@@]12CCCN1C(=O)N([C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1)C2=O	794777739	QLBCJLYHUVCSSX-IERDGZPVSA-N	407.461	3.854	10	20	HHCD	
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccccc2C)cs1	795607078	OGHDESPJNVIKEB-UHFFFAOYSA-N	405.457	3.836	10	20	HHCD	
Cc1cc2c(cc1S(=O)(=O)Nc1nc3c(s1)COc1ccccc1-3)OCO2	795610205	LTUDOWOHTDTHBO-UHFFFAOYSA-N	402.453	3.540	10	20	HHCD	
C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1	798058478	BYWSHWUWXZNMIO-ASUYLVSUSA-N	419.447	3.857	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1	800999056	POTPAECVOXCPCR-JOCHJYFZSA-N	422.573	3.566	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	801050062	BBDRBMNURMMLNK-ZHRRBRCNSA-N	404.555	3.760	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1	802172505	HQOQWGABZGIOIK-QFIPXVFZSA-N	404.555	3.507	10	20	HHCD	
C[C@@H]1CSC[C@@H]1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	804503325	CFNHJYMVJYSAMO-OZMFCKRTSA-N	412.627	3.597	10	20	HHCD	
CCCC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1	804593529	NMJMIPGUABUMQV-JOCHJYFZSA-N	411.546	3.767	10	20	HHCD	
COc1cc(F)cc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	806454659	IVXLSDJLNOGITD-UHFFFAOYSA-N	414.477	3.518	10	20	HHCD	
Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1	809579336	YUFKHYCWVYUEDA-VWLOTQADSA-N	416.569	3.928	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1c(C)noc1C	809618223	FVCRFDNLOLPERH-FQEVSTJZSA-N	412.534	3.508	10	20	HHCD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cccc(Cl)c1O	809680422	UCSIPCZVKYIPCR-UHFFFAOYSA-N	410.923	3.841	10	20	HHCD	
C[C@H]1CN(c2ccc(CN[C@@H](c3nc[nH]n3)C3CCCCC3)cc2F)C[C@@H](C)O1	813854850	GFZLGUCAVLCRMG-VWKPWSFCSA-N	401.530	3.969	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)[C@H]1OCCc2sccc21	815952900	YLRGZDFDRHLTQB-HXPMCKFVSA-N	423.918	3.559	10	20	HHCD	
Cc1cc(C(=O)O)ccc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	871793045	YMWCHMWEQHOTFP-UHFFFAOYSA-N	402.516	3.504	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C2CC2)cc1	914437788	KAHOUIBLJFJAIS-UHFFFAOYSA-N	405.458	3.651	10	20	HHCD	
COc1cc(Br)cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c1O	915852527	VBPCLOIVJGKHGO-MLPAPPSSSA-N	423.313	3.964	10	20	HHCD	
Cc1nn(Cc2ccccc2)c2sc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc12	916591532	SFOMSUAXIZVOBT-UHFFFAOYSA-N	422.462	3.905	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(C)n1-c1ccc(F)cc1	918581993	BZXOYAKYIBSCRB-QHCPKHFHSA-N	420.444	3.540	10	20	HHCD	
COc1ccc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Cl	919968740	IYNWAJNOKLHQKQ-UHFFFAOYSA-N	416.949	3.806	10	20	HHCD	
CCO[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1	920222358	PZEAPBIXDQYZSV-HOIFWPIMSA-N	400.494	3.833	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)C(=O)NCC(F)(F)F)c(C)n1-c1ccc(Cl)cc1	1115877576	XJKHDBDAYXBRSZ-NSHDSACASA-N	401.816	3.544	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccc(F)cc1	15524747	FZVHVYGKBOGXPV-UHFFFAOYSA-N	415.490	3.736	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCC(=O)O	16911866	GIQRSXFLTMEKCM-SFQUDFHCSA-N	415.492	3.955	10	20	HHCD	
CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)cc1	28964239	USALLMYQGLGQNT-SDXDJHTJSA-N	404.601	3.908	10	20	HHCD	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(OC)c(O)c3)SC2=S)cc1	28975313	UNZGWTXEPFCQAE-LDADJPATSA-N	401.509	3.853	10	20	HHCD	
COc1cc(CN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1SC	116144083	BIFDRYMTFLWUIJ-UHFFFAOYSA-N	401.576	3.574	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1cc(-c2ccccc2)on1	726848835	FVZQYFDVGDZLBZ-UHFFFAOYSA-N	420.513	3.550	10	20	HHCD	
COc1cccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c1	727244907	LTOKWMPUDWRBRU-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCCO[C@@H](c4ccccc4)C3)CC2)cc1	729879348	CRRFYQHXLRURGZ-HSZRJFAPSA-N	409.530	3.837	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CN3CCCC[C@H]3c3ccccc3OC)CC2)cc1	730063012	XXLWSZPTKVRLLQ-QHCPKHFHSA-N	423.557	3.580	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NCC[C@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21	730125874	QBENQQWZEMXFBC-KRWDZBQOSA-N	416.566	3.515	10	20	HHCD	
COC(=O)[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)Cc1cccc(C)c1	730221392	JSVBHXAUGLOJAL-FQEVSTJZSA-N	405.498	3.559	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)CC1	731039182	XCTYZDWDSPIMNC-UHFFFAOYSA-N	424.570	3.646	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	733802388	DSEZJAMKYHZJRH-GFCCVEGCSA-N	408.449	3.922	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1	734018393	OXPJUHFKVNJWHL-UHFFFAOYSA-N	406.442	3.916	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(OCc2ccccc2)ccn1	742496767	CILRTNNVHYOJHR-UHFFFAOYSA-N	417.509	3.769	10	20	HHCD	
CC(C)C(=O)N(C)Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	743338564	GVDQLQRZYFLTBX-QFIPXVFZSA-N	424.541	3.828	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cn(-c2cccc(C(F)(F)F)c2)nn1	743716591	TZMIVOFVWVOEMH-UHFFFAOYSA-N	416.403	3.801	10	20	HHCD	
COc1ccc(N(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CC(C)C)cc1	746171274	XZCOMJZLMLHUEV-UHFFFAOYSA-N	411.546	3.838	10	20	HHCD	
CN(Cc1nccs1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	746359168	MTTFBIMCTLGWEF-JLHYYAGUSA-N	423.610	3.845	10	20	HHCD	
CN1CCCc2cc(CNCc3cc4ccccc4nc3N3CCOCC3)ccc21	746693385	RVRFYWAMRJEWBE-UHFFFAOYSA-N	402.542	3.744	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3cnc4c(cnn4Cc4ccccc4)c3)ccc21	746812164	ZQEHQGANERPNID-UHFFFAOYSA-N	411.509	3.792	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)COc2cccc(F)c2)c(C)n1-c1ccc(F)cc1	747210917	PXXKZMLWRHZRFH-IBGZPJMESA-N	400.425	3.542	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCc2sccc2C1	748021854	HYUTWEXKELMEFU-UHFFFAOYSA-N	420.537	3.515	10	20	HHCD	
Cc1nc(-c2cccc(NC(=O)C(=O)NCCCSc3nccs3)c2)cs1	749730727	CHNGCEBSLLFJAA-UHFFFAOYSA-N	418.569	3.812	10	20	HHCD	
Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCCSc1nccs1	749731736	YRNGFNFOIKIECB-UHFFFAOYSA-N	403.451	3.707	10	20	HHCD	
COc1cccc(C(C)(C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	749797289	JKHTXASIGKTIJK-GOSISDBHSA-N	411.546	3.870	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1OCCc2ccccc21	749856524	SQOBENGTVPGVEA-UZLBHIALSA-N	402.441	3.687	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3c[nH]c4cc(F)ccc34)cc2F)C[C@H](C)O1	751093342	HEEFYTNDWMIJEL-GJZGRUSLSA-N	413.468	3.919	10	20	HHCD	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc2c1O[C@@H](C)C2	756269528	QCFXCRFDEMVTIB-HTAPYJJXSA-N	424.541	3.906	10	20	HHCD	
Cc1ccc([C@H](CN[C@H](C)c2cc(Br)ccc2O)N2CCOCC2)o1	756363393	GFLVUEUWPMHAHR-PBHICJAKSA-N	409.324	3.780	10	20	HHCD	
C[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1cc(Br)c(F)cc1O	756400011	STJHEGJHTDSXIL-NSHDSACASA-N	411.271	3.842	10	20	HHCD	
C[C@@H](NC[C@@H]1CCCN(C)C1)c1cc(Br)cc(Br)c1O	756550659	JKBZSMWUNYFNSC-MNOVXSKESA-N	406.162	3.910	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(-c2ccccc2)no1	760332639	RBRTXIOSVKKCCY-INIZCTEOSA-N	405.502	3.722	10	20	HHCD	
C[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(N2CCCCCC2)cc1	764660738	ZCQXPGFDWKUWJW-IBGZPJMESA-N	412.578	3.972	10	20	HHCD	
O=C(COc1ccccc1C(F)(F)F)NCc1cccc(Br)c1O	765757023	PSMFOLYAYVUILV-UHFFFAOYSA-N	404.182	3.869	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(CCC(N)=O)CC2)c(C)n1-c1ccc(Cl)cc1	767944715	XOVYRQQSSPQUHO-UHFFFAOYSA-N	401.938	3.794	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cc(C(F)F)ccc1Cl	768724596	JVICSXZNLJGCCR-UHFFFAOYSA-N	405.832	3.909	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCOC2(CCOCC2)C1	768755509	VSEWBGZNVCSXMQ-HXUWFJFHSA-N	422.485	3.885	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)Oc2cccc(Br)c2)c1O	775029455	MLRUHDLSOXEDHA-LLVKDONJSA-N	411.252	3.629	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3c[nH]c4c(C)cc(C)cc4c3=O)CC2)cc1	776120269	UXGVUDOSJIOWOS-UHFFFAOYSA-N	405.498	3.506	10	20	HHCD	
COc1cccc2cc([C@@H](C)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)oc12	776159411	WIBSGAAXVCHCIH-VQIMIIECSA-N	407.514	3.994	10	20	HHCD	
O=C(CSc1cccc2cccnc12)NCc1ccc(N2CCOCC2)c(F)c1	776283759	VVZUYXJUDIDCIC-UHFFFAOYSA-N	411.502	3.619	10	20	HHCD	
COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cccc(O)c2O)cs1	776284418	YXEJLTHMSLGPND-UHFFFAOYSA-N	414.439	3.605	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N=c3cc[nH]cc3Br)cc2)CC1	780637653	PNKMUYILTKFYBZ-UHFFFAOYSA-N	403.324	3.824	10	20	HHCD	
CC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Cl	783312806	LPOFTBUXPXDGCB-UHFFFAOYSA-N	413.905	3.738	10	20	HHCD	
COC(=O)[C@H](Cc1ccc(F)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	783570215	VXWHFAZOJFXULZ-FQEVSTJZSA-N	422.447	3.770	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCC([C@H]4CCCO4)CC3)cc2F)C[C@@H](C)O1	784071267	NDXZTWMAWBHWPS-DRSNIGMVSA-N	419.541	3.540	10	20	HHCD	
CCc1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)cnn1-c1ccccc1Cl	784929808	AEFZBCPSFZPQLZ-UHFFFAOYSA-N	400.818	3.539	10	20	HHCD	
COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1	786727672	CWGZHJCALSAHRK-UHFFFAOYSA-N	410.250	3.664	10	20	HHCD	
CCCOc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1	788744706	ZEXOIMBKUATXPU-UHFFFAOYSA-N	415.509	3.759	10	20	HHCD	
C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1c1ccccc1	788911003	MLUPKVRJLZZCHC-WMZHIEFXSA-N	405.542	3.555	10	20	HHCD	
Cc1cccc(C2(CNC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)CCCC2)c1	788934199	UWZLHKWMNYKABG-UHFFFAOYSA-N	419.569	3.840	10	20	HHCD	
C[C@H]1OCC[C@@]12CN(C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CCO2	792057947	QZGHTWZVXGZIKS-WZONZLPQSA-N	401.551	3.545	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1	797644384	IIQLKBHKCMITGK-AWEZNQCLSA-N	409.490	3.729	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	798088062	GGRDKQZMJUTZNT-FXAWDEMLSA-N	419.447	3.638	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2Cl)C1	800050362	ULXWYCNEXZYTTD-OAHLLOKOSA-N	420.962	3.910	10	20	HHCD	
O=C(NCCCOC1CCCC1)C(=O)N(Cc1ccccc1O)C1CCCCC1	804020289	VEJVPULSBGAJAP-UHFFFAOYSA-N	402.535	3.519	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(C[S@@](C)=O)cc2)cc1	805866428	VAEYVBOUOVQKAC-MUUNZHRXSA-N	401.576	3.753	10	20	HHCD	
CCCCOc1cccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1	807386790	JITDTTJMTYBYNP-UHFFFAOYSA-N	421.291	3.589	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3c4ccccc4O[C@H]3C)cc2F)C[C@@H](C)O1	808237772	FMZAGBXDCZUMLV-CPBBTPEFSA-N	413.493	3.761	10	20	HHCD	
CC[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(C(F)(F)F)cc1O	810213099	LUHXCBFHZOUOGC-AEFFLSMTSA-N	404.498	3.660	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@]3(CO)C[C@H]3c3ccccc3)cc2)CC1	812034941	DIPNLXNYQSNOMT-ZCYQVOJMSA-N	407.558	3.888	10	20	HHCD	
CSC1(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCN(C)CC1	812548951	CNVOCRNFXFDDEB-UHFFFAOYSA-N	404.624	3.646	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(F)(F)[C@H](CO)C3)c2C)c1	812860089	VCMAXCRUAOFQPL-INIZCTEOSA-N	408.514	3.948	10	20	HHCD	
COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1sccc1-n1c(C)ccc1C)C2	818956621	GSZGSNMFMYPTOJ-ROUUACIJSA-N	401.576	3.869	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)c(C)n1-c1ccccc1	915012511	CDUBATICIRYLMC-HXUWFJFHSA-N	410.514	3.857	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Cc3csc4ccccc34)CC2)cc1	916040892	OYEJOOXDASIKPJ-UHFFFAOYSA-N	423.582	3.781	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(O)nc4ccccc34)cc2F)C[C@@H](C)O1	917708474	BYCAWJYMYQOZEP-HUUCEWRRSA-N	409.461	3.623	10	20	HHCD	
CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	917711050	PNYBYGXCRNFKAP-KRWDZBQOSA-N	400.494	3.869	10	20	HHCD	
Cc1ncc(Br)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1	1116700587	RMVTVVZCQAHCSL-UHFFFAOYSA-N	403.324	3.810	10	20	HHCD	
C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(N4CCCC4)cc3)cc2)C[C@H](C)O1	1251726247	BNYGTJWNRPPMNN-PMACEKPBSA-N	407.558	3.826	10	20	HHCD	
O=C1NCCN(Cc2ccc(N3CCCC3)cc2)[C@H]1c1ccccc1Br	1254018416	JMIVVGRHXWKACG-FQEVSTJZSA-N	414.347	3.722	10	20	HHCD	
CN1CCN(c2ccc(CN(Cc3cccs3)C[C@H]3CCCO3)cc2F)CC1	1324724426	FIECBYDNVSSTET-LJQANCHMSA-N	403.567	3.820	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1cccc(OCC(F)(F)F)n1	1339383543	YWHWBBSXKHXTQV-UHFFFAOYSA-N	408.424	3.622	10	20	HHCD	
CCCCC[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2	1846023215	KZUJVPVQKSWFME-AWEZNQCLSA-N	408.926	3.785	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C	4270377	LQCSXUAXIYTKTL-KRWDZBQOSA-N	419.481	3.685	10	20	HHCD	
CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	15360375	NOJVWJWZFYPUBQ-UHFFFAOYSA-N	416.543	3.674	10	20	HHCD	
COc1ccc(CNCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1C	237448631	JSFJTXKGPJFLRW-UHFFFAOYSA-N	412.511	3.884	10	20	HHCD	
COCCCN(C)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	303919599	NYGPBTDAHRYNDW-UHFFFAOYSA-N	422.367	3.555	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1Br	327030976	IIFVFSLNDPLZGL-UHFFFAOYSA-N	407.283	3.663	10	20	HHCD	
CCc1nc(CN2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)cs1	472238821	JBNCKLXXKMGTCF-UHFFFAOYSA-N	411.575	3.533	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)n(C)c2ccccc12	472788557	OGHGWXIUTOHFAK-UHFFFAOYSA-N	405.376	3.640	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(Cc2c(F)cccc2F)C2CC2)n(C)c2ccccc12	576256397	UZMUPSICWVRLEA-UHFFFAOYSA-N	411.452	3.572	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CSc1nnc(-c2ccc(OC)cc2)o1	727168897	ZRZVOAUBPCPREQ-UHFFFAOYSA-N	413.499	3.982	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1	728839577	RXODKGOSJFABAL-GOSISDBHSA-N	406.404	3.945	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCOc3cccc(NC(C)=O)c3)c2C)cc1	729381758	LNKQROFJODIJKU-UHFFFAOYSA-N	421.497	3.870	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12	731278724	MWBVMCUZYXNZOZ-UHFFFAOYSA-N	407.396	3.576	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1-c1ccc2ncccc2c1	731341751	MHLOWGGKGSSOBR-UHFFFAOYSA-N	412.497	3.654	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2n[nH]c(C3CC3)c2Br)cc1F	731346078	QYBPCZZHTMORIE-UHFFFAOYSA-N	409.303	3.965	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N(C)Cc1ccccc1	732469531	IBQRXULNMVBLKX-SIKLNZKXSA-N	411.546	3.603	10	20	HHCD	
COc1ccc(-n2ccnc2SCC(=O)NCCCSc2nccs2)cc1	733972284	BWQJTPWVRIQZAW-UHFFFAOYSA-N	420.585	3.728	10	20	HHCD	
CN1C(=O)C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1c1cccc(Cl)c1	734421905	HGJWDDSLRQDJGN-RBBKRZOGSA-N	411.933	3.776	10	20	HHCD	
Oc1c(Br)cccc1CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	734843321	JOJGSFRHQATNRD-GDBMZVCRSA-N	404.226	3.779	10	20	HHCD	
CC(=O)c1cccc(OCCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	735518656	YTVVWUICRWYJQA-QFIPXVFZSA-N	411.498	3.962	10	20	HHCD	
CCc1ccc([C@@H](C)CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	737517191	HTKJDVBRQDBHQE-AVRDEDQJSA-N	407.558	3.761	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(N2CCOCC2)cc1	740459060	KVCUYRUQVCIUQR-VGOFRKELSA-N	411.502	3.574	10	20	HHCD	
COc1cccc([C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N2CCCC2)c1	741074845	RDVKOHZCGVTJGV-XMMPIXPASA-N	420.557	3.708	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1	741181347	UYBOOTRQTQTNGE-HXUWFJFHSA-N	402.583	3.617	10	20	HHCD	
CNC(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)c1	742073318	ZEKIASGOUYUEAT-UHFFFAOYSA-N	417.509	3.968	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1	743177151	HWDJVTBBOJXZQS-UHFFFAOYSA-N	416.547	3.760	10	20	HHCD	
CCN(CC(=O)NCCc1ccccc1C)Cc1cc(Br)ccc1O	743873074	IUDRCIDYBKXPIK-UHFFFAOYSA-N	405.336	3.644	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc(OC)c1OC	745664309	INVOFQATOAVZPV-UHFFFAOYSA-N	423.307	3.904	10	20	HHCD	
C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(N(C)C)c(F)c3)cc2F)C[C@@H](C)O1	746708674	QUZBMHFDIAPDCW-GASCZTMLSA-N	418.488	3.966	10	20	HHCD	
CSc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl	747744766	RRUJFPOIEBYDQY-UHFFFAOYSA-N	403.935	3.917	10	20	HHCD	
CC(C)C[C@@H]1CCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	748807384	OIFXDJJJEOZNSY-GGPKGHCWSA-N	405.558	3.566	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)cc1F	749647782	YSOAVBJMOUUHKQ-UHFFFAOYSA-N	420.916	3.646	10	20	HHCD	
C/C(=C/C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(Cl)c1	749920699	YNWQDJXKGSVOSY-UIRWJGRMSA-N	411.933	3.761	10	20	HHCD	
CCOc1ccccc1NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751944133	CFDXRANCBKJJPX-UHFFFAOYSA-N	411.483	3.510	10	20	HHCD	
Cc1cc(C(=O)NC[C@H]2CCCCS2(=O)=O)c(C)n1-c1cccc(C(C)C)c1	752838003	CCUUVVOYQZJNES-HXUWFJFHSA-N	402.560	3.915	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4cc(C)on4)c3C)CC2)cc1F	753738925	VVPPWLIKLXTIPO-UHFFFAOYSA-N	412.465	3.501	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(N2CCCC2=O)c1	754549866	BIEJEOQUCAEYFW-UHFFFAOYSA-N	410.429	3.841	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)c1nccs1	756521753	VANIZOYIZLAAPV-LLVKDONJSA-N	403.401	3.622	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cccn(CC(F)(F)F)c2=O)cc1	757243266	CIMZNBFTXAEKQJ-UHFFFAOYSA-N	410.440	3.921	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cccc4cccnc34)CC2)cc(OC)c1OC	759201859	XSYGKDZGDOZDLZ-UHFFFAOYSA-N	422.485	3.615	10	20	HHCD	
CCC(CC)n1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)n1	759887863	XUJFCXSJBARKMQ-UHFFFAOYSA-N	402.539	3.592	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cccc4c3ccn4C)CC2)cc(OC)c1OC	759963588	QEHSBCQVSWPFNJ-UHFFFAOYSA-N	424.501	3.558	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cccc(-c4ccoc4)c3)CC2)cc1	760246636	OFCNWJSTKYJFTB-UHFFFAOYSA-N	419.525	3.897	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](c1ccc(F)cc1)[C@H]1CCCO1	761117768	AACLDWWGTCXWJR-QUCCMNQESA-N	418.852	3.869	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cncc(Br)c3)SC2=S)cn1	767358805	MNWRGFDWDDXVRX-LFYBBSHMSA-N	408.302	3.654	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4cc(F)ccc4C3)cc2F)C[C@H](C)O1	768701226	ANRBOMWLASQCEG-HOTGVXAUSA-N	415.484	3.846	10	20	HHCD	
COc1ccc2ccc(OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2c1	772875510	NKEVLRYKJFSNFO-UHFFFAOYSA-N	424.472	3.519	10	20	HHCD	
Cc1coc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc12	773210005	JFXCUKROCIZLRJ-GOSISDBHSA-N	408.454	3.593	10	20	HHCD	
C[C@H](NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(N(C)C)cc1	773628286	PTALKGCRGASIDQ-TXPKVOOTSA-N	404.555	3.758	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1	774662724	JQDYULJNIYBNGX-UHFFFAOYSA-N	408.329	3.772	10	20	HHCD	
C[C@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(N(C)C)cc1	775404762	NUWREHVFBPRUPS-LBPRGKRZSA-N	421.398	3.982	10	20	HHCD	
COc1ccc(O)c(CNC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1	776002819	VGOAEDJVCHCRLH-AUUYWEPGSA-N	408.901	3.745	10	20	HHCD	
CC(C)(C)OC(=O)c1cccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	778076908	IIOJPJCHGIKIQJ-OAQYLSRUSA-N	423.557	3.633	10	20	HHCD	
COc1ccc(CC(C)(C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	782950783	UOIYHSQISCVBBX-SFHVURJKSA-N	411.546	3.913	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H]3CCC[C@H](C)CC3)CC2)cc(OC)c1OC	785957245	KAUUEHFOIXGCGF-IRXDYDNUSA-N	405.539	3.513	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Nc3ccccc3C(F)(F)F)cc2)CC1	786050640	NJIJXEOHYZVMOK-UHFFFAOYSA-N	420.435	3.696	10	20	HHCD	
CN1CCC(n2ccc(NC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)n2)CC1	786704352	XCDZDCIUUPZPAG-UHFFFAOYSA-N	410.566	3.804	10	20	HHCD	
C[C@@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1O	788780137	BCBLHHQINJZLIJ-GFCCVEGCSA-N	408.486	3.654	10	20	HHCD	
C[C@@H]1CC[C@@H](COC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)O1	789019172	PAAHFFIUZPKKKO-ULMKNYBMSA-N	411.570	3.840	10	20	HHCD	
CC[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)sc2C1	789743523	HXVCVAOHDKZMIR-ZIAGYGMSSA-N	400.548	3.540	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c(F)c1	790638562	PNAGMQGWMBJWNC-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnn(C(C)(C)C)c1C	791246293	LVIRVSIBPDJWLX-UHFFFAOYSA-N	414.550	3.949	10	20	HHCD	
CCCCCC[C@](C)(NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)O	797714267	FWWZVEPNUYQCOT-JTSKRJEESA-N	405.539	3.697	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnc([C@H](C)O)s2)c(C)n1-c1cccc(F)c1	798690712	MKKIDHNFXWKVFO-ZDUSSCGKSA-N	402.447	3.783	10	20	HHCD	
CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	799236760	WYSWUSISEBOCTO-HNNXBMFYSA-N	414.462	3.713	10	20	HHCD	
Cc1cc(Br)cc(CN[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1O	802657886	BVVULDGKKAMCBB-IBGZPJMESA-N	417.347	3.786	10	20	HHCD	
C[C@@H](CCc1cccn1C)NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	807649120	ACGVIXRSCHHJDM-SFHVURJKSA-N	411.546	3.530	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C	808968248	OCMJADDYICQZCD-FQEVSTJZSA-N	400.494	3.653	10	20	HHCD	
CCN(CC)CCCNC(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	809732141	DRGGSSOKQPPGOX-UHFFFAOYSA-N	414.638	3.737	10	20	HHCD	
CN1CC[C@H]2[C@@H](CCCN2Cc2cc(Br)cc(Br)c2O)C1	809767533	NLLBSOHJODZRRR-NHYWBVRUSA-N	418.173	3.833	10	20	HHCD	
CC[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1O	810212388	RBKDZCDCKUKZDE-QGZVFWFLSA-N	416.465	3.571	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1	812005531	HRZQHSNHNJZJMF-XMMPIXPASA-N	411.521	3.563	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@@H](C)C1	812064306	PYLCEZCNTHYWTJ-SFHVURJKSA-N	409.534	3.614	10	20	HHCD	
Cc1ccc(/C=C2\SC(=S)N(c3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1	814275389	VUYKOJIILDTVCX-BOPFTXTBSA-N	418.565	3.651	10	20	HHCD	
Cc1cc(C(=O)CN2CCC3(CC2)OCCCO3)c(C)n1-c1ccc2c(c1)CCC2	815158885	DCQGXAFUSRCFHM-UHFFFAOYSA-N	408.542	3.995	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	820005772	BWGDNJKKJDZPON-CQSZACIVSA-N	419.872	3.807	10	20	HHCD	
Cc1cc(CC(=O)Nc2ccc(-n3cncn3)nc2)c(C)n1-c1ccc(Cl)cc1	913004326	WLHKXYPLXLGUNN-UHFFFAOYSA-N	406.877	3.904	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCNC(=O)Cc2ccccc2)cc1	914456186	QQMHSCHZPUCXCX-UHFFFAOYSA-N	419.525	3.623	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1	916220613	PXIUUPBDYOBFRI-UNMCSNQZSA-N	420.513	3.606	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1	917505813	IXSLREHOWMETSD-UHFFFAOYSA-N	414.575	3.956	10	20	HHCD	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918220272	AAIZQFWUOQAJBM-AWEZNQCLSA-N	421.463	3.968	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)c2cccnc12	919969524	OWIZSFOCPOEPGV-UHFFFAOYSA-N	413.880	3.918	10	20	HHCD	
Cc1cc(OCC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)no1	921159587	NKEUCVJOFZXWAO-UHFFFAOYSA-N	420.824	3.988	10	20	HHCD	
COc1cc(Cl)c(Br)cc1C(=O)NCc1cccc(OC)c1O	1321129805	UUOUSESGWBIVFL-UHFFFAOYSA-N	400.656	3.755	10	20	HHCD	
Cc1cc(C(=O)NCC(C)(C)N2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1	1328356256	QSEZNVGGDJIXCC-UHFFFAOYSA-N	402.970	3.503	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2C[C@@H]2C2CC2)cc1	1847480285	BLUORHXNQGKOKG-SBFWRKJZSA-N	417.553	3.956	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1	141702143	YWNWVBUMOHDODC-UHFFFAOYSA-N	414.465	3.671	10	20	HHCD	
O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cnc(N2CCCC2)nc1	642246139	WFOBTBFATMKGDH-ZROIWOOFSA-N	413.403	3.750	10	20	HHCD	
COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2ccc(C)c(O)c2O)cc1	727003822	HPSOFBHAFVFTBZ-LJQANCHMSA-N	413.470	3.716	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c1	729535391	QHQDJXPVRDKXBH-JTQLQIEISA-N	402.344	3.566	10	20	HHCD	
CC(=O)OCCN(C)c1ccc(/C=C2\N=C(c3c(F)cccc3Cl)OC2=O)cc1	730466861	SFAVADCGQOGHNE-PDGQHHTCSA-N	416.836	3.823	10	20	HHCD	
CCCN(C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@H]1CCS(=O)(=O)C1	731182174	JYUVJXIIJNNAMZ-SFHVURJKSA-N	408.951	3.787	10	20	HHCD	
O=C(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(N=Nc2ccccc2)cc1	731843540	PDGKAPDROSIXDJ-HXUWFJFHSA-N	412.515	3.692	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N[C@H]1CCCc3occc31)c2[N+](=O)[O-]	731992343	KIYRFVJLRNUZSS-KRWDZBQOSA-N	416.389	3.771	10	20	HHCD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	735686187	BDVBDCWEZUGEED-RBBKRZOGSA-N	417.594	3.536	10	20	HHCD	
O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N(Cc1ccco1)Cc1ccccc1O	735927484	VTTMMBQLXGWZKM-QGZVFWFLSA-N	408.429	3.706	10	20	HHCD	
O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(S(=O)(=O)NC2CC2)cc1	740801344	YBJFINNACLXGKL-UHFFFAOYSA-N	413.543	3.760	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(n2c(O)nc3ccccc32)CC1	741090875	QXMRTOWAAHZUDM-UHFFFAOYSA-N	417.513	3.665	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2OCC2CC2)cc1F	741095572	HWJGBJCPWNCTMN-UHFFFAOYSA-N	413.493	3.716	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1N1CCCC1	742799686	MNYRXNJWVYVEEK-MRXNPFEDSA-N	416.472	3.682	10	20	HHCD	
CC(C)OC(=O)C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1	746979437	JTHNODAGOPDMMB-IBGZPJMESA-N	401.482	3.774	10	20	HHCD	
COc1ccc([C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)N2CCCC2)cc1	746979906	YOOKYVSWRYNWPW-JOCHJYFZSA-N	414.525	3.537	10	20	HHCD	
Cc1cc(C)nc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	747614906	UDRHZJPBMDXRGB-UHFFFAOYSA-N	403.485	3.519	10	20	HHCD	
CCN(CC)C(=O)COc1ccc(NC(=O)NCc2ccccc2O)cc1Cl	748443842	QRLHSHAWAJZKKY-UHFFFAOYSA-N	405.882	3.615	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C)nc1N(C)C	750405805	LMANYKPJMRRMMF-UHFFFAOYSA-N	407.312	3.978	10	20	HHCD	
CC[C@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1	751066525	JIUPQGDETQGHAD-AWEZNQCLSA-N	408.545	3.907	10	20	HHCD	
O=C(CN1CC(=O)N(CC(F)(F)F)C1)Nc1ccc(N=Nc2ccccc2)cc1	753823013	OIXHYXRJIFKISB-UHFFFAOYSA-N	405.380	3.705	10	20	HHCD	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(=O)N(C)Cc1ccccc1O	754488939	LQVVFBAZYSOXGB-UHFFFAOYSA-N	413.474	3.645	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3cc4cccc(OCC)c4o3)nc12	754582701	HKBQYPNMUHYUAP-CYBMUJFWSA-N	424.457	3.607	10	20	HHCD	
CC(=O)c1cc(CN(C)C/C(C)=C/c2ccccc2)c(O)c(CN2CCOCC2)c1	754862948	ORGMXROPOSXHNC-CPNJWEJPSA-N	408.542	3.962	10	20	HHCD	
COCCCOc1cc(C)ccc1CNC(=O)NCc1c(O)ccc2c1CCCC2	755242254	SXUFKYAFSMCOER-UHFFFAOYSA-N	412.530	3.994	10	20	HHCD	
CCN(CC)c1ccc(CN[C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)O)cc1	756378368	FBBLRCMLHVUUAG-OAQYLSRUSA-N	410.474	3.708	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=O)NCCCSc2nccs2)cc1C	758603846	QOBDDYRFVNSKKZ-UHFFFAOYSA-N	414.578	3.517	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)NCc1ccccc1)c1ccccc1	759595390	RBCNNHLJYXLPJV-HJSOSKBTSA-N	403.434	3.712	10	20	HHCD	
CC(C)(C)n1cc(C(=O)NCCc2ccc(O)c(O)c2)c(-c2ccc(F)cc2F)n1	762263979	NETHVKHCTNATQT-UHFFFAOYSA-N	415.440	3.967	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1O	762978631	WOTAHFLFGROVCP-UHFFFAOYSA-N	405.454	3.653	10	20	HHCD	
C[C@@H](NCc1cccnc1OCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	764860073	JMVBLOIRRSQZIK-CQSZACIVSA-N	413.415	3.849	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	765319965	DLSKMCUEQIGQFA-JTHBVZDNSA-N	409.530	3.585	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@@H](c1ccco1)N1CCCCC1	765448007	XAHZONZSGXVEPF-INIZCTEOSA-N	422.323	3.774	10	20	HHCD	
CC(C)NC(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2O)cc1	765736551	OAMFGFNFERXPEM-UHFFFAOYSA-N	406.280	3.615	10	20	HHCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl	766048426	SMEYGONINXTTSW-UHFFFAOYSA-N	404.669	3.812	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4ccc(F)cc4C3)cc2F)C[C@@H](C)O1	771204586	POCQGDRNFAQQCC-HZPDHXFCSA-N	415.484	3.846	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1	771854666	CGPDHXXLVUWRMW-UHFFFAOYSA-N	416.591	3.592	10	20	HHCD	
COC(=O)COc1ccc(CN(C)Cc2cc(Br)cc(C)c2O)cc1	775985107	XHJBGYOKKIRCRV-UHFFFAOYSA-N	408.292	3.647	10	20	HHCD	
CCSc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccn1	777458960	MJFZUBZNPMBXPW-UHFFFAOYSA-N	402.589	3.746	10	20	HHCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccc(N3CCOCC3)nc2)c1O	779001286	ARKWVRPHEYEQPA-CQSZACIVSA-N	406.324	3.546	10	20	HHCD	
CN(c1ccc(CNC(=O)CSc2nnc3ccccn23)cc1)C1CCCCC1	782609136	UTCGJBRHPJLOAD-UHFFFAOYSA-N	409.559	3.907	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc3c(c2)OCCCO3)C2CCCCC2)cc1	784057743	DKYWUVMQLOMBOM-UHFFFAOYSA-N	409.486	3.735	10	20	HHCD	
CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	789796603	IGCSTGAISMEIKA-UHFFFAOYSA-N	423.517	3.610	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)nnn1Cc1ccncc1	795762024	XXAPDNUAWVGDTF-UHFFFAOYSA-N	418.545	3.729	10	20	HHCD	
CCOC1(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCC1	796727184	GHMZGELFVNCLMK-IBGZPJMESA-N	419.566	3.784	10	20	HHCD	
COc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OCC(F)(F)F	797612370	CUULAHGOFZSTKQ-NSHDSACASA-N	414.380	3.800	10	20	HHCD	
CC[C@@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1cc(Cl)ccc1O	797999738	VHEPRAUSZPVXMB-QGZVFWFLSA-N	400.903	3.546	10	20	HHCD	
COc1ccccc1-n1ncc(C(=O)NCc2cccc(Br)c2O)c1C	799002101	MPZWRJIPTALESD-UHFFFAOYSA-N	416.275	3.587	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c2C)c1	799023897	KGFKERRNGGXITQ-UHFFFAOYSA-N	421.463	3.933	10	20	HHCD	
COCCCN(CCOC)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800719197	HTBKLZLAXCMJNS-KRWDZBQOSA-N	411.974	3.771	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1	801738997	VLEURICEXOYDKU-UHFFFAOYSA-N	424.545	3.895	10	20	HHCD	
Cc1ccccc1[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C	803301111	ZCYPPDFOUZZUNR-XXBNENTESA-N	423.557	3.522	10	20	HHCD	
CC(C)(CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Oc1cc(F)cc(F)c1	804199107	ZTSZZNDOWRIFML-UHFFFAOYSA-N	424.831	3.946	10	20	HHCD	
COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1	804365902	QLPVSIFUUIPKOT-HXUWFJFHSA-N	408.420	3.970	10	20	HHCD	
CCOc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1	805024289	HKIOLCSCLOFXNS-UHFFFAOYSA-N	423.557	3.596	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H]1CCO[C@@H](C(F)(F)F)C1	806132706	YUYHRIDLLXSNAU-XJKSGUPXSA-N	412.374	3.742	10	20	HHCD	
Cc1c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cnn1C1CCCC1	807513054	RERUXQDXNYMCTJ-UHFFFAOYSA-N	411.289	3.574	10	20	HHCD	
CC(=O)N[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1F	807838245	LXHJJGVFZOVHNF-MRXNPFEDSA-N	417.239	3.861	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	807912455	IABMWVWKOCFVFZ-UGKGYDQZSA-N	424.541	3.805	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(C2CC2)n(C)n1)c1ccc(N)cc1	810393180	KUIVDETZXGOCQN-HNNXBMFYSA-N	403.486	3.613	10	20	HHCD	
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1	815115416	ZHZUUKILWGSSKT-ZDUSSCGKSA-N	423.391	3.941	10	20	HHCD	
O=C1CCc2cc(F)c(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2N1	916624627	KULZITGHPWRTRH-UHFFFAOYSA-N	414.506	3.585	10	20	HHCD	
Cc1ccccc1CN1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	916626254	VPRWLIWZYGXMFD-UHFFFAOYSA-N	424.614	3.576	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@@H](O)COc1ccc2ccccc2c1	916633382	ZWSCGLWJSOZUPW-VWNXMTODSA-N	407.510	3.966	10	20	HHCD	
Cc1ccc(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C	917073533	XIOITZWFAUCXQM-KDURUIRLSA-N	413.537	3.809	10	20	HHCD	
COc1ccc(C(=O)N(C)C)cc1NC(=O)N(Cc1ccco1)Cc1ccccc1O	918043735	QVUKIDFARCLUTL-UHFFFAOYSA-N	423.469	3.930	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H](C)COCc3ccccc3)CC2)cc1	919798379	BOUFZYOSKHSWOX-FQEVSTJZSA-N	411.546	3.770	10	20	HHCD	
Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)s1	1800715722	MODALXDYUJNOLQ-BTTYYORXSA-N	420.918	3.687	10	20	HHCD	
CCc1ccc(-c2n[nH]c(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2)cc1	7770108	OVXDSUJSVQAQAS-UHFFFAOYSA-N	409.559	3.851	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc(-c2ccccc2)n1	16134882	PWKTZFDQHOSJTL-UHFFFAOYSA-N	407.539	3.848	10	20	HHCD	
O=C(Nc1ccccc1)c1ccc(N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1	301962016	SMJYVABRUXBLFX-IBGZPJMESA-N	404.470	3.620	10	20	HHCD	
C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	302984682	WCAZTHNGZTWQSA-INIZCTEOSA-N	402.922	3.632	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccccc2C(=O)OC(C)(C)C)n(C)c2ccccc12	472802790	CGYSKJSSSVURCP-UHFFFAOYSA-N	421.497	3.697	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ncccc2C(F)(F)F)CC1	480835942	DMYCWZYWXFTROO-UHFFFAOYSA-N	401.388	3.923	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)oc1C	726626593	DJAGTSZQHGGLLS-SXGWCWSVSA-N	419.480	3.798	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4)cc2)CC1	731049063	ZKRZZWNXMZXXMI-QGZVFWFLSA-N	406.530	3.978	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)cc1F	731346829	XYIMCKFZVARJCV-OAHLLOKOSA-N	424.513	3.680	10	20	HHCD	
O=C(OCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cc(O)cs1	732354663	PVXVRSZKEKSZEZ-UHFFFAOYSA-N	402.497	3.626	10	20	HHCD	
CCOc1ccc(Oc2cc(CNC(=O)NCc3cc(OC)ccc3O)ccn2)cc1	734066104	OYRNKTVNNJVBNW-UHFFFAOYSA-N	423.469	3.986	10	20	HHCD	
COC(=O)COc1cccc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1	734440321	SRGQWCRMAFOSHV-UHFFFAOYSA-N	406.482	3.884	10	20	HHCD	
O=C(c1cccc(OC[C@@H]2CCCO2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517080	HEGAADXQTKJJKB-VXKWHMMOSA-N	411.498	3.771	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl	736673838	ZHOFCFKEEXOTDE-UHFFFAOYSA-N	422.934	3.638	10	20	HHCD	
Cc1nnc(-c2ccc(NC(=O)c3ccc(NC(=O)C4=S=CC=C4)cc3)cc2)o1	740688354	JAPLGVOZNROJSN-UHFFFAOYSA-N	404.451	3.513	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccccc1Oc1ccccn1	740999269	JUZUBWTYPMRTFS-UHFFFAOYSA-N	419.481	3.755	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)c1	741095950	OVKKRHRSKWRFFI-UHFFFAOYSA-N	414.527	3.832	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1	742476302	USDPAJMOWOIQRL-QFIPXVFZSA-N	407.514	3.724	10	20	HHCD	
COc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cc(OC)c1OC(F)F	742596823	CTQQLDQYSPYJDS-UHFFFAOYSA-N	406.429	3.618	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cccc3[nH]ncc23)NC(=O)OC(C)(C)C)cc1	742749301	FQBBIAJKTDDWFX-FQEVSTJZSA-N	423.517	3.625	10	20	HHCD	
C[C@@H](CCc1cccn1C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	743554575	IFZBURHCTZDVHK-OKZBNKHCSA-N	416.541	3.598	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1c1ccccc1	743555456	YYYBCRRKICCCJS-NQIIRXRSSA-N	411.521	3.998	10	20	HHCD	
Cc1ccccc1[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1	743564388	KMBWYAPZOQTMIB-WMZHIEFXSA-N	409.530	3.676	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)C2CC2)cc1	743895680	NWJLORNCYNIPDS-UHFFFAOYSA-N	419.447	3.987	10	20	HHCD	
CC(C)N1CCC[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	745805145	XYHDXSMQOJMJGI-MSOLQXFVSA-N	424.536	3.676	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)Cc1ccco1	746109118	JZYSTKWDMKIBDV-HDICACEKSA-N	417.525	3.559	10	20	HHCD	
Cc1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cnc1O	757572708	QLFOLODWGXRVPI-ZROIWOOFSA-N	419.553	3.777	10	20	HHCD	
COCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(N=Nc3ccccc3)cc1)CC2	757776635	OTFXMKABZVPCIM-GOSISDBHSA-N	405.462	3.976	10	20	HHCD	
O=C1N[C@H](c2cccs2)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	761634708	FCIZFVCFBSTFOC-XJKSGUPXSA-N	407.442	3.611	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1	761982447	LJAZAVKIQFGGSE-CQSZACIVSA-N	422.481	3.821	10	20	HHCD	
CC(C)c1nc([C@@H](C)NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n[nH]1	763023070	TWRCWYUHDKYYSG-CYBMUJFWSA-N	422.480	3.559	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(N2CCCCCC2)cc1	765323980	NTBAJZRRTIRZOD-NQIIRXRSSA-N	412.530	3.886	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSc3nccc4ccccc34)CC2)cc1F	765823625	DYDTXUFMHDIVCM-UHFFFAOYSA-N	411.502	3.823	10	20	HHCD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	765975199	BEMHWXMXQZPFOH-PBHICJAKSA-N	418.335	3.501	10	20	HHCD	
C[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(N(C)C)cc1	766211909	BEEWTQBOWMHHAF-KRWDZBQOSA-N	421.632	3.882	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)c(C)n1-c1ccccn1	769058232	ARANLIMTQQICQR-UHFFFAOYSA-N	417.513	3.831	10	20	HHCD	
C[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C	769124438	KUODUBFFETXRKD-RZIFZGNASA-N	414.481	3.745	10	20	HHCD	
CCS(=O)(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)CC1	770033742	FIDUFLHOLMNQJL-UHFFFAOYSA-N	420.550	3.623	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)c1	772681479	SSDZLPKUAZUQQB-LLVKDONJSA-N	402.401	3.962	10	20	HHCD	
COc1ccc(C(=O)N2CCC(N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1OC	773001969	VBFQXQKJNFOQGB-KRWDZBQOSA-N	411.546	3.725	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(Cl)cc2OC)cc1	773223220	YCUGPSMECYAOKB-UHFFFAOYSA-N	403.910	3.792	10	20	HHCD	
CSCC[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nnc2ccccn12	773620059	UNCZWNSDIAWIEI-MAUKXSAKSA-N	412.563	3.650	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c(C)c(C)c1O	775292406	ZMCPRQKTRWZSBE-OAHLLOKOSA-N	409.479	3.673	10	20	HHCD	
Cc1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1C(C)C	777580858	QTPXKSLUEKDJJN-UHFFFAOYSA-N	420.494	3.674	10	20	HHCD	
COc1ccc(-n2cc(O)c(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)n2)cc1	779502004	YDEHLDSBEUOIMG-UHFFFAOYSA-N	408.502	3.703	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NOCc2ccc(F)cc2Br)c1	780901485	BROLDYCQNCLDQE-SNVBAGLBSA-N	413.243	3.794	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3OC(F)(F)F)c2)CC1	781270384	JWRKEKMGQXTZMO-UHFFFAOYSA-N	407.392	3.506	10	20	HHCD	
COc1cccc(C[C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1	783503616	GELJMGOJUIFCIW-OAHLLOKOSA-N	409.452	3.666	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](C4(C)OCCO4)C3)ccc21	784770482	KSYSBAULRXNIGM-IBGZPJMESA-N	400.519	3.520	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3cnc(-c4ccco4)s3)CC2)cc1	785412063	ADCAJLONBXTBBV-UHFFFAOYSA-N	412.559	3.714	10	20	HHCD	
CCCCN(C)c1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1	786660707	HPSZYKQZDVJJMY-UHFFFAOYSA-N	422.573	3.521	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccccc1C(F)(F)F	786684274	WURRCPSGNGETEJ-UHFFFAOYSA-N	408.420	3.856	10	20	HHCD	
Cc1cnc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	787883108	FTDMRVQVECGOFR-UHFFFAOYSA-N	400.910	3.535	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2	788768091	AMAGRCOQSYBYFG-IBGZPJMESA-N	401.551	3.747	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cn1	790108554	UDAGOPHPNWACID-IIFMFPPTSA-N	405.589	3.944	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc(OC)c1OC	791247113	VAYNUHMHLPFCSG-UHFFFAOYSA-N	414.502	3.706	10	20	HHCD	
COc1ncc(/C=C/C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1	800049948	KIQPKSNSQQPKLX-VFADXPBXSA-N	400.910	3.705	10	20	HHCD	
Cc1ccn2c(=O)c(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)c(Cl)c3)cnc2c1	800050568	XTQRCUVZHWQCRN-MRXNPFEDSA-N	424.932	3.823	10	20	HHCD	
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3cc(Cl)cc(F)c3O)cc21	800543283	ZHEMSHRHTQHIBN-UHFFFAOYSA-N	418.900	3.978	10	20	HHCD	
COCC[C@@]1(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCOC1	800720880	HWWLOIQCNGHKCX-HRAATJIYSA-N	409.958	3.571	10	20	HHCD	
CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C)C1	800724860	HHGHDMROEPBDDH-LJQANCHMSA-N	420.561	3.632	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC(c2ccc(OC)cc2)=NO1	802360471	ADDVYMUSDMNJQL-HXUWFJFHSA-N	411.502	3.906	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)ccc1OC(F)F	802610439	ZYAZUMKBLKJCFV-UHFFFAOYSA-N	410.392	3.900	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H]3c3cccs3)cc2)CC1	805022681	AQTRBKRJLAYQAS-FQEVSTJZSA-N	411.571	3.964	10	20	HHCD	
CCCNC(=O)CN1CCC(N[C@H](CC)c2cc(Cl)cc(Cl)c2O)CC1	806132410	WBBGZHZUIWAADO-QGZVFWFLSA-N	402.366	3.730	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(=O)n(-c2cccc(F)c2)c1	807838228	LJVKCBBGONQCKW-UHFFFAOYSA-N	407.228	3.919	10	20	HHCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2	808093833	VXWWTRCVNJLBPG-FQEVSTJZSA-N	423.918	3.777	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1COc2ccccc2[C@@H]1O	808975444	XKKWQXHJLJPCJA-CTNGQTDRSA-N	416.437	3.651	10	20	HHCD	
Fc1cc(CN(CCc2ccccn2)Cc2ccncc2)ccc1N1CCOCC1	809763014	HNSUCFBJXQFDNE-UHFFFAOYSA-N	406.505	3.697	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c(F)cc(C(F)(F)F)cc1F	810167825	QABNRFSWKAKPCP-UHFFFAOYSA-N	418.337	3.889	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)cc1	810302807	XAHVNTPBVIWEJU-UHFFFAOYSA-N	420.460	3.597	10	20	HHCD	
CN(C(=O)CSCC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCCCC1	813685303	FYSTYSDUOJHHEY-UHFFFAOYSA-N	419.374	3.840	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@]4(CCN(C)C4)C3)cc2Cl)C1	813744703	SROPUQHUYMGSTG-JTSKRJEESA-N	404.986	3.814	10	20	HHCD	
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C	914614263	WZYXOSYJQRZCAD-UHFFFAOYSA-N	423.469	3.650	10	20	HHCD	
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1cc2c(cc1O)OCO2	915823056	CPZNOESNELCZDS-UHFFFAOYSA-N	416.783	3.864	10	20	HHCD	
COCC(=O)Nc1cccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	916383348	RECRGJOOFZPJMF-UHFFFAOYSA-N	424.545	3.603	10	20	HHCD	
CCCOC(=O)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	916681801	WGGOUXGOJTYGRA-UHFFFAOYSA-N	415.465	3.551	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2F)C[C@H](C)O1	917086202	IXUUZSWGZUHOLC-RYUDHWBXSA-N	405.455	3.669	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N3CCC([C@H]4C(=O)Nc5ccccc54)CC3)ccc21	1318197134	HXSLQRNMCJODFM-HSZRJFAPSA-N	418.541	3.727	10	20	HHCD	
Cc1cc(C(=O)N(C)S(=O)(=O)Cc2ccccc2)c(C)n1-c1ccc(F)cc1	1319086644	UQXRJBXIXMTOBM-UHFFFAOYSA-N	400.475	3.835	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(C(C)(C)C)nn3)cc2F)C[C@H](C)O1	1323954634	MSTKZJPZNPQGED-GJZGRUSLSA-N	415.513	3.849	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1	10549423	UZEWXIAFKZLQGR-UHFFFAOYSA-N	401.463	3.857	10	20	HHCD	
O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCc1ccc(N2CCCC2)cc1	28046985	VUZBMYLPRSTUMI-UHFFFAOYSA-N	424.589	3.561	10	20	HHCD	
C[C@@H](NC(=O)NCCc1c[nH]c2cc(F)ccc12)c1ccc(N2CCOCC2)cc1	51298379	IIHWGRPDIDURGU-MRXNPFEDSA-N	410.493	3.747	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cnn(Cc4ccccc4Cl)c3)CC2)cc1	108432366	WUHPAMGYWNRVSC-UHFFFAOYSA-N	424.932	3.946	10	20	HHCD	
CCCN(CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)Cc1ccccc1O	727830952	XYTFCHYIEOZEOU-OALUTQOASA-N	411.546	3.857	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc(CNC(=O)C2CCCC2)cc1	733973079	UCPBZOKWUSMFSX-UHFFFAOYSA-N	403.573	3.862	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)c1	734065001	QIDVSOPSHPXVIF-ROUUACIJSA-N	411.546	3.878	10	20	HHCD	
C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCOCC2)cc1	735435116	NCOAKUXBKHOBIK-CQSZACIVSA-N	403.866	3.505	10	20	HHCD	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1	736653270	MBRHFKWIHADUNX-KRWDZBQOSA-N	401.938	3.949	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(C/C=C/c2ccccc2)CC1	740919127	CCJFJIFHBUIIDM-RMKNXTFCSA-N	402.542	3.603	10	20	HHCD	
C[C@H](c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1)N1CCOCC1	741067667	FMVPWMGMTWASQP-LJQANCHMSA-N	406.530	3.778	10	20	HHCD	
COc1cc(N(C)CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc(OC)c1OC	741795748	OLFIYMVDLDRVIC-NRFANRHFSA-N	404.482	3.801	10	20	HHCD	
O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)CCC2	742335144	WTIUOOWIVHBSQV-KRWDZBQOSA-N	422.497	3.724	10	20	HHCD	
O=C(c1cccc(CN2CCOCC2)c1)N(Cc1ccco1)Cc1ccccc1O	743429336	KJGIMBAPXYTWLV-UHFFFAOYSA-N	406.482	3.660	10	20	HHCD	
O=C(NC[C@H]1CC1(Cl)Cl)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743547151	PFNIFXSMSVDYQO-NEPJUHHUSA-N	408.276	3.750	10	20	HHCD	
O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)NCc1c(O)ccc2c1CCCC2	743718533	FUKPUZYTXWZPAF-UHFFFAOYSA-N	423.538	3.719	10	20	HHCD	
CCCn1ccc2ccc(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cc21	743884040	PDDUHXQDBIYOMJ-UHFFFAOYSA-N	404.514	3.906	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)C2CC2)cc1	743896342	UGIKOFZTAUHHRE-UHFFFAOYSA-N	419.447	3.987	10	20	HHCD	
O=C(NCc1coc(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	745847182	MPWKJDMOMLOHQL-FQEVSTJZSA-N	407.470	3.938	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2noc(-c3cccc(F)c3)n2)cc1	746019031	UCAZEMCZDGPPEJ-FQEVSTJZSA-N	424.476	3.763	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Cc3csc(NC(=O)c4ccccc4)n3)ccc21	746811971	VPWXJYJUHZSWSC-UHFFFAOYSA-N	420.538	3.637	10	20	HHCD	
COc1cc(C[C@@H](CO)CNCc2cc(Cl)cc(Cl)c2O)cc(OC)c1	747622674	UIKJHNKDYOTIEG-CYBMUJFWSA-N	400.302	3.657	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(COC(C)(C)C)c2C)c1	747754939	HZIMUZMLCJPPKD-HNNXBMFYSA-N	414.502	3.840	10	20	HHCD	
C[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1	748008972	ACBIMTYAVULTBE-CYBMUJFWSA-N	402.497	3.746	10	20	HHCD	
COC(=O)CC1(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CCOCC1	749506950	ZLJRBSJIZNBGIC-UHFFFAOYSA-N	404.894	3.590	10	20	HHCD	
CO[C@@H](C)c1noc(CN2CCCN(Cc3cc(C)cc(C(C)(C)C)c3O)CC2)n1	749978577	DFBWFEXTAZTPFA-KRWDZBQOSA-N	416.566	3.796	10	20	HHCD	
COc1cc(C)c(/C=C2\SC(=S)N(CC(C)(C)CN(C)C)C2=O)cc1OC	751291598	NDLNCFLBDLUJAZ-YVLHZVERSA-N	408.589	3.801	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ncccc1C(=O)OC	752936346	VPBIFUUIBSPINA-UHFFFAOYSA-N	411.483	3.815	10	20	HHCD	
CCN1CCN(CCCCN[C@@H](C)c2cc(Br)cc(Cl)c2O)CC1	756408503	PGLOTYKUXYCJSY-AWEZNQCLSA-N	418.807	3.876	10	20	HHCD	
COCCN(Cc1cc(Br)cs1)C(=O)/C=C/c1ccc(O)c(O)c1	757642827	FSEMNKLNXCJKEC-HWKANZROSA-N	412.305	3.610	10	20	HHCD	
C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	758543029	FIQXXCSFHXEKRN-SJLPKXTDSA-N	424.536	3.629	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC	759241257	NRFNBVLANOXVGM-UHFFFAOYSA-N	412.530	3.972	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnc([C@@H]3CCCO3)s2)cc1	760310363	SIVBDXHQXXAAAN-MOPGFXCFSA-N	415.559	3.882	10	20	HHCD	
O=C1[C@@H](Cc2ccccc2)N(C2CC2)C(=O)N1Cc1ccc(N2CCSCC2)cc1	761096793	FPMMJJSBOZBCCA-JOCHJYFZSA-N	421.566	3.778	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1OCC(F)F	762224233	YYCGIUDUXSSRFO-UHFFFAOYSA-N	423.435	3.752	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1csc(Cc2ccc(F)cc2)n1	763280982	UHYXGTLKFDRSIB-ZDUSSCGKSA-N	400.475	3.574	10	20	HHCD	
CCCN(CCN(CC)CC)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	764686575	XDKLYRNLPCZJNG-KDURUIRLSA-N	422.589	3.703	10	20	HHCD	
COC(=O)C(C)(C)c1ccc(NC(=O)NCc2cccc(Br)c2O)cc1	765305143	UKKYQJYWUGJDBQ-UHFFFAOYSA-N	421.291	3.927	10	20	HHCD	
COc1ccc(N2CCC(NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)cc1	765327825	YFKCWKHAVSDDPL-QHCPKHFHSA-N	409.530	3.571	10	20	HHCD	
C[C@H](N[C@H](C)CN1CCN(c2ccccn2)CC1)c1ccc(N2CCCCC2)cc1	766070798	KIJRHNDXVYYISV-YADHBBJMSA-N	407.606	3.933	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cccc(CN4CCOCC4)n3)c2C)c1	767888593	JDTREAVTTZYNRK-UHFFFAOYSA-N	404.514	3.882	10	20	HHCD	
O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1	768239554	XMCDLPGLKVVGPX-UHFFFAOYSA-N	416.477	3.746	10	20	HHCD	
O=C(Nc1cccc(F)c1)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	769233775	PUSDIQPYOVKLRX-UHFFFAOYSA-N	407.829	3.944	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1O	775031437	DJAUFTXEFOQHDM-YCRPNKLZSA-N	416.474	3.724	10	20	HHCD	
COc1cc(O)c(CNc2ccc(C)c(NC(=O)CN3CCCCC3)c2)cc1OC	775756107	XLGSKUYDMDULRI-UHFFFAOYSA-N	413.518	3.754	10	20	HHCD	
Cc1nnc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1C(C)C	777585993	BBSILXBFZWCSBK-UHFFFAOYSA-N	420.494	3.674	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(CN2CCc3ccccc32)cc1	779475997	OXONCAOFNUYNIG-ZRDIBKRKSA-N	400.478	3.990	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCCCN1CCC(Cc2ccccc2)CC1	779512515	CNSMKWBGXIBACV-LUAWRHEFSA-N	408.542	3.962	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(C(C3CC3)C3CC3)C2=O)cc1	782189072	NQINQIRJCFUGRW-YBEGLDIGSA-N	403.525	3.628	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(OC)c1	782896446	OEHRGKBUFGIKQB-UHFFFAOYSA-N	412.486	3.709	10	20	HHCD	
C[C@@H](NC[C@H](c1ccccc1)N1CCOCC1)c1cc(Br)ccc1O	783646743	CWLGTDFVGVJHBU-DNVCBOLYSA-N	405.336	3.879	10	20	HHCD	
C[C@@H](CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)CC(C)(C)C	785588370	QFOYCOXBRWSTEJ-PKOBYXMFSA-N	402.583	3.650	10	20	HHCD	
COCCN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(OC)c3)C2=O)cn1	790106494	LFVYSKUPYAMWJK-GZTJUZNOSA-N	415.540	3.579	10	20	HHCD	
Cc1ccc(CN2CC[C@@H](NCc3cc(Br)cc(C)c3O)C2=O)cc1	792194838	AMCUAEMDOYJRPZ-GOSISDBHSA-N	403.320	3.662	10	20	HHCD	
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F	792795370	FOGMGELMNRWZGO-ZDUSSCGKSA-N	415.481	3.612	10	20	HHCD	
COc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c(O)c1	794377233	PKBMEDFLWMUYHR-UHFFFAOYSA-N	407.401	3.982	10	20	HHCD	
COCCOc1ccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)cn1	796265877	MPENCTBRZMENJE-UHFFFAOYSA-N	403.526	3.959	10	20	HHCD	
C[C@@H](NC(=O)N1[C@H](C(=O)O)CC[C@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1	797714545	JXBHAQMDGMWIRU-WTNAPCKOSA-N	423.513	3.584	10	20	HHCD	
COc1ccccc1CONC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	798426643	GPYBCNIFDMFEDD-MRXNPFEDSA-N	421.444	3.696	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@]34CCOC4=O)cc2Cl)C1	800718718	CVXNXUARRNQUGW-BTYIYWSLSA-N	405.926	3.567	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1nnc([C@H]2COc3ccccc3O2)n1C	800760921	FQCUWCBLCVTEFX-JOCHJYFZSA-N	419.529	3.954	10	20	HHCD	
CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	801966343	IBMPFSYTBJIYOS-UHFFFAOYSA-N	407.566	3.786	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@H](C)Cc3cccs3)cc2)CC1	805025126	ONXJUNCHILIPSX-GOSISDBHSA-N	413.587	3.596	10	20	HHCD	
COc1ccccc1O[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	805145117	MQVOBLIDYVHHGU-OAQYLSRUSA-N	407.514	3.824	10	20	HHCD	
CC(C)(C)CC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	805337625	USBJLWNMALFVFR-UHFFFAOYSA-N	409.394	3.532	10	20	HHCD	
CC(C)n1cc([C@@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1	806159702	BSENBSQMSKBGIV-QGZVFWFLSA-N	412.534	3.708	10	20	HHCD	
CCN(C)C(=O)c1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	806775493	CBXUVEGZISDIBL-FQEVSTJZSA-N	411.502	3.697	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccn2)cc1	807672191	XIHDYIPRJFEOFA-FDDCHVKYSA-N	416.525	3.539	10	20	HHCD	
COCC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)CCOCC1	811431764	VPLSNPHBHCPVSA-UHFFFAOYSA-N	417.477	3.711	10	20	HHCD	
COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccccc1O	812135053	FNFPWVQVMBXVFS-OAHLLOKOSA-N	400.454	3.546	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(C)cnc3Br)CC2)cc1F	813001489	FGWGTMJGXVPSEV-UHFFFAOYSA-N	423.286	3.654	10	20	HHCD	
O=S(=O)(CCCNCc1cccc(Br)c1O)c1ccc(Cl)cc1	815166448	LQQHZACWTVFEBE-UHFFFAOYSA-N	418.740	3.762	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1	915303501	FEKMOXDRBRAOMT-HXUWFJFHSA-N	407.474	3.957	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccnc2N2CCCCC2)cc1	918309850	KJUOMXQBUPOPPG-UHFFFAOYSA-N	423.561	3.515	10	20	HHCD	
CCN1CC[C@H](CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1	918697055	IVEYQHVTKKAKFU-MRXNPFEDSA-N	404.352	3.928	10	20	HHCD	
CCCC(=O)Nc1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	920921747	ROSOQSVRUHQTFH-SFHVURJKSA-N	424.545	3.822	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3ccc4ncccc4c3)CC2)cc1	1116627236	JIYHYPWYAIVVKW-UHFFFAOYSA-N	407.539	3.825	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1sc(N2CCCCC2)nc1C	1320497283	GGCCPJAHUIDTTL-UHFFFAOYSA-N	423.966	3.976	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1F	1326766023	OVBQTWKVUACAGF-UHFFFAOYSA-N	409.439	3.848	10	20	HHCD	
Cc1cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)ccc1-n1nnnc1C(C)C	1342229313	RFDUMMFVTHAIMP-UHFFFAOYSA-N	423.540	3.597	10	20	HHCD	
Cc1cc(C(=O)CN2C(=O)[C@H]3CCCN3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	18409198	GCNMRIHGXSCWKT-QGZVFWFLSA-N	419.403	3.722	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnn(Cc3ccccc3)c2)cc1	96956538	TUSALKLPBRTSAO-DEOSSOPVSA-N	418.541	3.819	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)/C=C\c1nc2ccccc2s1	211569302	ODZXNDDXCINBIQ-SEYXRHQNSA-N	409.511	3.577	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](OCc4ccccn4)C3)ccc21	474068004	PTSLIUBZLQSBEA-NRFANRHFSA-N	407.514	3.731	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)ccc21	484917566	OUQQGXXNFOEUMW-JOCHJYFZSA-N	407.558	3.807	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3nc(OC)ccc3c2)cc1	727613184	PTQFQUWAOZPSRZ-UHFFFAOYSA-N	420.513	3.687	10	20	HHCD	
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	727850694	HGYWRTIRHZYBOW-HXUWFJFHSA-N	413.537	3.997	10	20	HHCD	
Cc1cc(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1	733276294	RWGHIJBYAQBXET-AWEZNQCLSA-N	408.951	3.785	10	20	HHCD	
CC(C)c1cc(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)on1	734008599	HCTNQMIYMLOZQI-HUUCEWRRSA-N	404.486	3.550	10	20	HHCD	
O=S(=O)(NCCCSc1nccs1)c1cc(C(F)(F)F)ccc1F	735315536	UTXOYNDEALBCEG-UHFFFAOYSA-N	400.444	3.762	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@H]2CCOC2)c(C)n1-c1ccc(OC(F)F)cc1	740376770	RGAAROWLJDOOLH-OAHLLOKOSA-N	407.413	3.848	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O	742057960	XHSNPSXMNXLOII-NRFANRHFSA-N	411.933	4.000	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(F)c(Br)c1)c1ccc(N2CCOCC2)cc1	742584205	WFRFBLBJWHDPQJ-CYBMUJFWSA-N	407.283	3.916	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3cc(SC)ccc3Cl)CC2)cc1	742916753	LPBDFEQDYJXVRS-UHFFFAOYSA-N	419.978	3.623	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1)c1ccc(N2CCOCC2)cc1	743564414	KUKXMQDAFOYDJT-RTBURBONSA-N	419.529	3.830	10	20	HHCD	
C[C@H](CCc1cccn1C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743661168	WGUGUPNJIOQPEL-IAGOWNOFSA-N	420.504	3.916	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(NC(=O)c2cccnc2)c1	743717969	XKLDOFDGGNUWKT-UHFFFAOYSA-N	401.466	3.848	10	20	HHCD	
CCCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	746215388	GCAZJFAYRSWSOH-UHFFFAOYSA-N	403.473	3.923	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(NC(=O)C2CC2)cc1	746982634	FWCDSRGXZISDAV-INIZCTEOSA-N	406.530	3.978	10	20	HHCD	
CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1	747584283	JITQZVCKHZAGNM-UHFFFAOYSA-N	410.534	3.584	10	20	HHCD	
COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1	747857085	WZPRJBHJRASLCY-UHFFFAOYSA-N	422.484	3.616	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(F)c1	748114059	QFRWVPRXFNBUJL-UHFFFAOYSA-N	413.493	3.809	10	20	HHCD	
CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2O)[C@H]1c1ccc(OC)cc1	748346042	KWHSSJCWJMGHDS-NFBKMPQASA-N	410.514	3.797	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3OC(F)F)cc2)C1	760490775	JNKFDVQRIILOSC-CQSZACIVSA-N	420.416	3.510	10	20	HHCD	
CC(=O)Nc1cccc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1	761008071	ZWTYJBFQIASVTK-LBPRGKRZSA-N	401.850	3.529	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2ccc(F)cc2F)CC1	761819133	RMSAWJRZJYDLQR-UHFFFAOYSA-N	415.484	3.675	10	20	HHCD	
CN(Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	763008669	CCSCNDZMJKMJDQ-UHFFFAOYSA-N	423.891	3.921	10	20	HHCD	
C[C@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(N(C)C)cc1	764817418	PFNYNQHKIKBEAB-SFHVURJKSA-N	401.576	3.778	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1OC(F)F	765980076	NRWGQOKMHIIGBL-IBGZPJMESA-N	424.513	3.764	10	20	HHCD	
COCc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cnn1-c1ccccc1	767058556	WMTNCCWALXTTDX-UHFFFAOYSA-N	404.514	3.890	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1	767935282	YVDZMKUTSKNXPT-SFHVURJKSA-N	406.523	3.547	10	20	HHCD	
CCOc1c(OC)cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1OC	768207860	KAYHJLDYXMVHOX-UHFFFAOYSA-N	400.519	3.571	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc4nc(C(F)(F)F)cn4c3)CC2)cc1	769894774	PQFBKAVPXRAWRS-UHFFFAOYSA-N	418.419	3.714	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ncccc3C(F)(F)F)cc2F)C[C@H](C)O1	770674357	GQAZZJLPZQYZPQ-STQMWFEESA-N	411.399	3.783	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(C4CCCCCCC4)n3)CC2)cc1	771055968	JRBCJPZROFHFBB-UHFFFAOYSA-N	412.534	3.797	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)cc1	772427344	RIWSJOYGSNEOKU-UHFFFAOYSA-N	401.417	3.863	10	20	HHCD	
C[C@H]1CCCCN1CCOc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773741747	XFWOCEPIEFXTFB-MSOLQXFVSA-N	412.530	3.712	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCC4(CC3)CCN(C)C4=O)c2C)c1	773923877	NJXTVZULWOUTDC-UHFFFAOYSA-N	407.558	3.838	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F	774915775	FABKMHQBGUIEMS-INIZCTEOSA-N	415.484	3.791	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CC[C@H](N2CCCCC2)C1	775677564	OHROHTUTILNKQX-AWEZNQCLSA-N	418.173	3.977	10	20	HHCD	
CCC1(CO)CCN(Cc2cc(Br)cc(Br)c2O)CC1	775712022	CTGVBXGRYGZSCW-UHFFFAOYSA-N	407.146	3.902	10	20	HHCD	
C[C@]1(CCCO)CCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	776152366	DCAKDQFRLCWOFF-IIBYNOLFSA-N	411.493	3.593	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(NC(=O)c2cccc(F)c2)c1	779500381	PGOXJTWOGRMUNN-CSKARUKUSA-N	406.413	3.819	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779503145	IPARRZZHWJYRRY-CNRGFGOASA-N	416.518	3.749	10	20	HHCD	
CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C\c1ccc(O)c(O)c1	779505889	LGQCBTCYECCQFW-POHAHGRESA-N	408.420	3.720	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1	779542005	LMMRWSFIIUHAKC-XBXARRHUSA-N	419.359	3.893	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C)cc(Br)c2)c1	780795584	ZADBNOZINCKUBZ-NSHDSACASA-N	400.294	3.511	10	20	HHCD	
C[C@@H]1OCC[C@]12CN(C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)C[C@@H](C)O2	790503753	BPSNTZYNKDDONJ-IMWIBFENSA-N	415.578	3.933	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1	793607938	GAEYPBOJORQEIY-FGZHOGPDSA-N	410.514	3.557	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cnc1C	794018601	XKJCSEINUKHLER-UHFFFAOYSA-N	423.903	3.754	10	20	HHCD	
CCC[C@]12CCCN1C(=O)N([C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)C2=O	794777738	QLBCJLYHUVCSSX-HRAATJIYSA-N	407.461	3.854	10	20	HHCD	
C[C@@H](NC(=O)Nc1c(Cl)ccc2c1CCO2)c1ccc(N2CCOCC2)cc1	797666543	WHGVROBKHUDWSF-CQSZACIVSA-N	401.894	3.994	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1	798058479	BYWSHWUWXZNMIO-QKMWGZLOSA-N	419.447	3.857	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2Br)c1	798441032	RXOMDVRKARYRQG-VIFPVBQESA-N	420.712	3.856	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21	800052636	FCUSMMUYWAXQLO-QGZVFWFLSA-N	422.298	3.929	10	20	HHCD	
CCc1cnc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)s1	800637116	UFBWQLHUZKEICI-ZDUSSCGKSA-N	420.966	3.850	10	20	HHCD	
COc1cccc(CCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1F	802782284	QNGPVNVYBTXABG-SFHVURJKSA-N	420.912	3.907	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1	807588168	KSRDYKHOPDZPJB-KKSFZXQISA-N	415.534	3.851	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	809702811	YUCBQHXRXIKUOM-SJLPKXTDSA-N	418.287	3.808	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(-c3ccccc3)c(C)n2)c1	810362759	ZRSNJAGPJQGHFV-HNNXBMFYSA-N	405.454	3.587	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)c(C)n1-c1ccccn1	812717153	XEKGQJNXUFLPBP-VWLOTQADSA-N	403.526	3.947	10	20	HHCD	
CO[C@](C)(CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1CC1	813313003	MFZCTKGHFUXNNB-FERCGXDMSA-N	424.613	3.661	10	20	HHCD	
CCOC(=O)Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)[nH]c2ccccc12	816938941	OQCGEISHIMBTAH-UHFFFAOYSA-N	406.482	3.788	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ncn(C)c2Cl)nc1-c1cccc(Cl)c1	914576907	BEYOLUQDYHIIFN-UHFFFAOYSA-N	403.316	3.960	10	20	HHCD	
Cc1cc(C(=O)Nn2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1ccccn1	914847071	NMQABKDLBBKDPQ-UHFFFAOYSA-N	419.510	3.523	10	20	HHCD	
Cc1cc(CC(=O)NCCC(=O)N2CCCCC2)c(C)n1-c1ccc(Cl)cc1	916459683	AXIDXYDTDDXFRO-UHFFFAOYSA-N	401.938	3.809	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(C(=O)N2CCCC2)cc1	916624566	GVOHXDRYVDISQG-UHFFFAOYSA-N	424.570	3.798	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1	917516482	HTRKSLVFLFGDEC-UHFFFAOYSA-N	407.539	3.683	10	20	HHCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	917709504	ZHZOROZGGMYELK-ZWCUEREDSA-N	406.542	3.756	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)c(C)o1	917795816	ZUQLYGLVWYMQCY-UHFFFAOYSA-N	405.498	3.902	10	20	HHCD	
CN(C)CCOc1cccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	918064059	JKGWBSXQWNJKQB-UHFFFAOYSA-N	410.562	3.567	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)cc1	918114622	NCUUWODGTGRNKT-UHFFFAOYSA-N	400.479	3.791	10	20	HHCD	
O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccc(N2CCC(CO)CC2)cc1	919968936	RHBHDZKHPQGPLC-UHFFFAOYSA-N	406.448	3.773	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCC(=O)N1CCN(c2ccc(F)cc2)CC1	1337786817	YWBSTHVIIQNEEE-YLJYHZDGSA-N	411.521	3.717	10	20	HHCD	
Cc1nsc(N2CCN(C(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)CC2)n1	1339788138	JJZQJDJYEOKIJX-UHFFFAOYSA-N	415.950	3.870	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)c2C)cc1	11144763	SWXAYLFFCTYGLD-UHFFFAOYSA-N	413.499	3.727	10	20	HHCD	
CCc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	21512411	HQAMTBFFWAJYCQ-UHFFFAOYSA-N	424.453	3.764	10	20	HHCD	
CC(=O)Nc1cccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1	28785351	YREXYKPXVKPYMQ-UHFFFAOYSA-N	423.444	3.987	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCOC2=O)cc1	65992038	SEQWSPUMPLAVBM-QGZVFWFLSA-N	408.502	3.804	10	20	HHCD	
CC(=O)c1ccc(OCCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	303030494	UBICQJAHGQEXKX-UHFFFAOYSA-N	424.541	3.573	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(Oc3ccccn3)cc2)n(C)c2ccccc12	472805408	DVUQNOIZBQCLDX-UHFFFAOYSA-N	414.465	3.929	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)C(=O)NCC(C)(C)C)ccc21	505301926	OBVGRNKFZWLCSY-UHFFFAOYSA-N	401.551	3.575	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@@H](COCC(C)C)c3ccco3)CC2)cc1	725868087	OSGMSSQTQPZYCF-NRFANRHFSA-N	415.534	3.924	10	20	HHCD	
C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)N(C)Cc1ccccc1O	726283419	ZJQQTPWEQLFWFA-KRWDZBQOSA-N	410.518	3.551	10	20	HHCD	
CCN(CC)C(=O)c1ccccc1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726698178	XJUOFCRAJLRVOQ-UHFFFAOYSA-N	424.545	3.968	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3	727170800	ZJTCVJYAXYYRPR-UHFFFAOYSA-N	405.498	3.881	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccccc3Cn3cncn3)cc2)CC1	731106212	TXMBUWBSWGHADL-UHFFFAOYSA-N	404.518	3.884	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(COC(C)C)cc2)cc1F	731408737	DELQFFOQRJBSDU-UHFFFAOYSA-N	415.509	3.852	10	20	HHCD	
CC[C@@H]1c2ccsc2CCN1C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	732203590	XNCPTXFURKPHOL-UYAOXDASSA-N	414.571	3.971	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O	734468120	MMFDACXFJSMBMP-SFHVURJKSA-N	403.935	3.834	10	20	HHCD	
CC(C)[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)NC(=O)OC(C)(C)C	734527205	ZLSRMKDLGSSWRI-IBGZPJMESA-N	404.555	3.635	10	20	HHCD	
CCc1ccc(O[C@H](C)C(=O)N2CCN(Cc3c(O)ccc4ccncc34)CC2)cc1	736581524	HKHDLRPVCXUGCE-GOSISDBHSA-N	419.525	3.615	10	20	HHCD	
Cc1noc(-c2ccc(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)nc2)n1	742393289	JSSDEGOHXOHIOO-UHFFFAOYSA-N	419.407	3.908	10	20	HHCD	
C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)n1cnc2ccccc21	742798948	DSASXDODMSGFIX-HZPDHXFCSA-N	414.456	3.984	10	20	HHCD	
C[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)Sc1ccccc1	743691074	HHPHRELAMHOIPI-MRXNPFEDSA-N	417.550	3.767	10	20	HHCD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCc2c(O)ccc3c2CCCC3)cc1	743715813	BZBNUHKPXVINPU-INIZCTEOSA-N	412.555	3.956	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(CC(F)(F)F)cc1	743958435	XFKVFFXKRYQNGR-UHFFFAOYSA-N	406.404	3.631	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCC(=O)NCc3ccccc3)c2C)cc1	748283987	JSUBNXLAWDHYMD-UHFFFAOYSA-N	405.498	3.539	10	20	HHCD	
C[C@H](Cc1ccncc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	749566686	SSAIQJRIUVNQCT-OAHLLOKOSA-N	404.461	3.582	10	20	HHCD	
COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c1	750732325	SCRFLEJTRYYZCW-CQSZACIVSA-N	419.319	3.785	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C(=O)c2cnn(C)c2)sc(C)c1-c1ccc(C)cc1	751061853	QEKVRDZNNCQKBJ-UHFFFAOYSA-N	411.483	3.764	10	20	HHCD	
CC(=O)OC1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1	753644382	ISMKXNIBLLXNAW-NRFANRHFSA-N	420.469	3.761	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(C)c(Br)c3)CC2)cc1F	753742559	QPTJDAZDGFAYMS-UHFFFAOYSA-N	407.283	3.868	10	20	HHCD	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)[C@@H]4CCNC(=O)C4)n3)c2C)cc1	754261813	SZTZEQWEQJLMQV-MRXNPFEDSA-N	408.527	3.991	10	20	HHCD	
O=C(Cc1cc(Cl)cc2c1OCC2)N(Cc1ccccc1O)C[C@H]1CCCO1	755580720	MYYZMNXPKHCMPT-LJQANCHMSA-N	401.890	3.731	10	20	HHCD	
C[C@H](NCCCNC(=O)c1cccc(F)c1)c1cc(Br)c(F)cc1O	756708911	SZCCRXORZIMCJB-NSHDSACASA-N	413.262	3.904	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)/C=C\c3ccc(Cl)nc3)cc2F)C[C@@H](C)O1	758511293	OKLLUOGFBZRRRY-ZMAHGOAUSA-N	403.885	3.817	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@]3(C)CCc4ccccc4C3)CC2)cc(OC)c1OC	759239666	OGNKSIWXSQIEKE-RUZDIDTESA-N	424.541	3.556	10	20	HHCD	
O=C1CCCC(=O)N1Cc1ccc(NCc2cc(Br)ccc2O)cc1	761226934	XJKBRLJGBOZWJT-UHFFFAOYSA-N	403.276	3.806	10	20	HHCD	
CC(C)OCCCc1noc(-c2cc(NS(=O)(=O)c3cccs3)ccc2O)n1	762227049	VSTYYVXFFPWJDP-UHFFFAOYSA-N	423.516	3.662	10	20	HHCD	
COc1c(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)oc2ccccc12	762338260	DYABQTBSOWOSHU-UHFFFAOYSA-N	400.818	3.765	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CSCc3ccn(C4CCCC4)n3)CC2)cc1	763223158	ZJHRXNZVKHKDLZ-UHFFFAOYSA-N	414.575	3.589	10	20	HHCD	
Cc1cc(Br)cc(CN2CCN(c3nc(F)c(F)cc3F)CC2)c1O	763620227	SGKLEHRLPJSUBN-UHFFFAOYSA-N	416.241	3.598	10	20	HHCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1	764635787	PRJULEAQAYAAES-QGZVFWFLSA-N	413.543	3.675	10	20	HHCD	
C[C@H](NCc1cccnc1OCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	764860067	JMVBLOIRRSQZIK-AWEZNQCLSA-N	413.415	3.849	10	20	HHCD	
CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	766878799	HGSBBLBEFNAISD-NHCUHLMSSA-N	421.557	3.522	10	20	HHCD	
O=C(OCc1nnnn1CC1CCOCC1)c1ccccc1N=Nc1ccc(O)cc1	768479763	OLSKEKKIUFDZFD-UHFFFAOYSA-N	422.445	3.578	10	20	HHCD	
CC(C)N(CC(=O)NCCc1nc2ccccc2s1)Cc1ccc(N(C)C)cc1	771791683	QNNLXTUUKJNPNF-UHFFFAOYSA-N	410.587	3.932	10	20	HHCD	
Cc1cc(C(=O)NOC2CCN(C)CC2)c(C)n1-c1cccc(Br)c1	773550228	PWIJLMQYWVULHI-UHFFFAOYSA-N	406.324	3.612	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COc3cccc(Cl)c3F)cc2F)C[C@@H](C)O1	774792756	RUHUMUIZPWZTCL-ZIAGYGMSSA-N	424.875	3.927	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCc2cccc(C(F)(F)F)c2)C2CC2)cc1	774800547	BGPGQPCHSHOCFC-UHFFFAOYSA-N	419.447	3.579	10	20	HHCD	
COc1cc(O)c(CNc2cccc(NC(=O)CN3CCCCCC3)c2)cc1OC	775757811	QZUWBWLTNHKVEM-UHFFFAOYSA-N	413.518	3.836	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	775773464	KCABQJILECKSOW-PZJWPPBQSA-N	413.493	3.621	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)cc1F	776911602	AXNJRCHWPIUQTO-JOCHJYFZSA-N	403.473	3.614	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCO4)n2)cc1	778078226	DMQHQYCFAWXASJ-UHFFFAOYSA-N	404.469	3.738	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1cccnc1Oc1cccc(Br)c1	778919642	HWUBYPSYYVRGGV-UHFFFAOYSA-N	415.243	3.978	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Br)cc1	783316192	LQHAIEGSWALIAR-UHFFFAOYSA-N	418.335	3.891	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1OCC1CC1	784029191	ZCXYQIIASOGUON-UHFFFAOYSA-N	400.450	3.697	10	20	HHCD	
CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cc1	785424335	NJVVNOHGGIZOIO-IBGZPJMESA-N	421.463	3.901	10	20	HHCD	
CCN(Cc1ccccn1)c1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-]	785834946	HUGBLIFOBQQIPO-UHFFFAOYSA-N	411.212	3.696	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O	785921013	CHNCZJLGCUSDRA-QFIPXVFZSA-N	414.594	3.996	10	20	HHCD	
Cc1cccnc1C(F)(F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	787272286	SPALLOWQNPMHOZ-IBGZPJMESA-N	403.473	3.756	10	20	HHCD	
COc1cc(Br)cc(CN2CCC[C@H](Oc3ncccc3F)C2)c1O	787290574	OQQLJAUFCGLTAM-AWEZNQCLSA-N	411.271	3.741	10	20	HHCD	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788934640	XAFJGKBEHXDROG-IBGZPJMESA-N	405.542	3.730	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	789652977	VDUHYMNEJXDLPH-UHFFFAOYSA-N	410.474	3.690	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(C3(c4ccccc4F)CCCC3)no2)c1	789873843	XZXZLIXTONNSLO-UHFFFAOYSA-N	417.462	3.813	10	20	HHCD	
CN(C)c1ccc(CNC[C@H](c2cccs2)N2CCOCC2)c(C(F)(F)F)c1	792891910	XSUHHFZETJMHLD-GOSISDBHSA-N	413.509	3.996	10	20	HHCD	
C[C@@](O)(CSc1cccc(F)c1)C(=O)NCc1ccc(N2CCCCC2)cc1	795770453	ZAVPTVGYSZKDTE-JOCHJYFZSA-N	402.535	3.976	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1	799526260	CWLHUYFVLFMKJJ-SFHVURJKSA-N	404.555	3.589	10	20	HHCD	
Cc1cc(-c2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2C)c(C)n1-c1ccccc1	800731446	FDDBOTRBRDIREP-IBGZPJMESA-N	415.545	3.692	10	20	HHCD	
Cn1cc(-c2ccc(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)s2)cn1	800791691	UATNOHSTDRHIMW-OQLLNIDSSA-N	421.569	3.995	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCOC2)cc1	802761365	NUTSOJMAVDHARG-FQEVSTJZSA-N	422.577	3.803	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1	805147656	LORTZQOCZXSYJC-CQSZACIVSA-N	418.321	3.802	10	20	HHCD	
COc1ccc(Cn2cc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cn2)cc1	806846171	FGLZMRKPGZBFMA-UHFFFAOYSA-N	403.486	3.638	10	20	HHCD	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)o1	807290499	XBNIZLDABNQDDW-UTKZUKDTSA-N	407.514	3.580	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1c1ncnc2sccc12	807839209	ZBURECRXPCAURP-CQSZACIVSA-N	423.325	3.989	10	20	HHCD	
Brc1ccccc1-n1cc(CNCCCSc2nccs2)nn1	810146082	LIJBSQVRNZHBQE-UHFFFAOYSA-N	410.366	3.758	10	20	HHCD	
CN(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cn1	811822486	AMOVNHIQINBYFR-UHFFFAOYSA-N	416.484	3.925	10	20	HHCD	
CC[C@@]1(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)OCCc2ccccc21	811926152	MHRGZCHKNDLCFS-VWLOTQADSA-N	423.557	3.841	10	20	HHCD	
C[C@H]1CCCN(c2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccn2)C1	812484161	WGDWBLOUKSQODC-RBUKOAKNSA-N	408.546	3.646	10	20	HHCD	
C[C@@]1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)OCCc2sccc21	812551111	AGYKMBBKZISNCM-VGSWGCGISA-N	416.543	3.632	10	20	HHCD	
O=C(CSC1=NC(=O)/C(=C/c2csc3ccccc23)S1)NC(=O)NC1CC1	814773197	ONYZKWFSBKUMKP-AUWJEWJLSA-N	417.537	3.593	10	20	HHCD	
COc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc2cccnc12	815650119	JAWOLSNCBGMNAJ-UHFFFAOYSA-N	420.252	3.511	10	20	HHCD	
Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)/C=C\c1ccc(O)c(O)c1	818350450	YJZFDBCBZAAQLY-OQFOIZHKSA-N	414.259	3.913	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)CCCNC(=O)c2ccc(F)cc2F)C2CC2)cc1	914439288	HQJQCVYHBCQXGL-UHFFFAOYSA-N	415.484	3.732	10	20	HHCD	
Cc1cccn2cc(CS(=O)(=O)CC(=O)c3cc(C)n(-c4ccccc4)c3C)nc12	915363043	BYISDQRJVRKRQQ-UHFFFAOYSA-N	421.522	3.848	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2c2cccs2)c1	915840406	XOWNEAGUZQFPEZ-HXUWFJFHSA-N	400.544	3.826	10	20	HHCD	
COC(=O)c1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	916681489	HVWBIIJTKDOKQQ-GASCZTMLSA-N	415.465	3.548	10	20	HHCD	
CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCCCC1	917056912	CCHMXTHOYFPJJO-QZTJIDSGSA-N	405.558	3.710	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C(=O)NCc2cccnc2)CC1	917513330	XRNKOZZCYUVWLV-UHFFFAOYSA-N	422.554	3.719	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC1CCN(Cc2ccc(F)cc2)CC1	918209502	NOWAVCPXJBIOFB-UHFFFAOYSA-N	410.537	3.890	10	20	HHCD	
COc1cccc([C@H](C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	919692717	PIXGYHWXWOURFB-ZACQAIPSSA-N	400.494	3.868	10	20	HHCD	
CCOc1cc2c(cc1NC(=O)NCc1ccc(N3CCOCC3)cc1)O[C@H](C)C2	919773123	VNBKNTMAWQYYQC-MRXNPFEDSA-N	411.502	3.567	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1occc1COc1ccccc1	919970893	ICUFULVKICXDTE-UHFFFAOYSA-N	424.472	3.889	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	920237986	NWGWJOURMLXJDJ-QFIPXVFZSA-N	424.545	3.602	10	20	HHCD	
CN1CCC(N2C(=O)/C(=C\c3cc(Br)ccc3F)SC2=S)CC1	920473633	QIQDBFZTJCTLAO-NTEUORMPSA-N	415.353	3.884	10	20	HHCD	
C[C@H](NC(=O)NCCCN(C)C1CCCCC1)c1ccc(N2CCOCC2)cc1	920868371	CZEPHMMMMXDSDF-IBGZPJMESA-N	402.583	3.538	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(-c4ccccc4)s3)nc12	1318004780	AHLGCHOXLJXIJO-UHFFFAOYSA-N	423.450	3.697	10	20	HHCD	
COc1cc(OC)cc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)c1	445462916	MNYJCOIGDKHDGQ-UHFFFAOYSA-N	421.478	3.945	10	20	HHCD	
COc1ccc([C@@H](NC(=O)N2CCOc3cc(N(C)C)ccc32)C(F)(F)F)cc1	482350169	JLDMSBSEGCOEPU-GOSISDBHSA-N	409.408	3.973	10	20	HHCD	
O=C(NCCc1ccn(-c2ccccc2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1	726252443	GZHKJTZUYUFFEW-QFIPXVFZSA-N	420.513	3.511	10	20	HHCD	
O=C(Cc1ccc2c(c1)CCO2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726564436	JTBZDKPGRISAEQ-UHFFFAOYSA-N	402.441	3.551	10	20	HHCD	
COc1ccccc1/C=C1/SC(=S)N(CCc2ccc3c(c2)OCCO3)C1=O	726801377	IFLGTOHTDKXZCY-CPNJWEJPSA-N	413.520	3.910	10	20	HHCD	
CC(C)(C)SCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	727479984	KKJNPCBNNLZALC-UHFFFAOYSA-N	419.513	3.873	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-n3cc(Br)cn3)cc2)c1	728977944	ILGPVARQSYJWIU-LBPRGKRZSA-N	416.275	3.840	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2)CC1	731049038	XUOQRFZBCHETNV-UHFFFAOYSA-N	424.545	3.620	10	20	HHCD	
CC(=O)[C@H]1CC(C(=O)N(Cc2ccco2)Cc2ccccc2O)=NN1c1ccccc1	735930696	OXVKJHPLUBCACT-JOCHJYFZSA-N	417.465	3.738	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3CCC4(CCCC4)CC3)cc2F)C[C@H](C)O1	738338462	CXSCYKTZJUVCCB-OALUTQOASA-N	417.569	3.712	10	20	HHCD	
CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCc1ccc(N2CC=CC2)cc1	741090126	CEYAKMSTMDNXNS-UHFFFAOYSA-N	414.500	3.614	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]3c3ccc(C)cc3)CC2)cc1	742939933	MPIZADWESWZZCK-XMMPIXPASA-N	422.573	3.672	10	20	HHCD	
COC(=O)CCN(C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)C1CCOCC1	742968959	UDTORIRSMCBWCO-UHFFFAOYSA-N	418.921	3.932	10	20	HHCD	
O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N(Cc1ccco1)Cc1ccccc1O	743428987	VEUQRQAXRXRXOJ-HSZRJFAPSA-N	420.509	3.805	10	20	HHCD	
COc1ccc(C2(CNC(=O)NCc3c(O)ccc4c3CCCC4)CCOCC2)cc1	743562180	RQTHXYXKDWBBFU-UHFFFAOYSA-N	424.541	3.827	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1	743880260	UPNZVDDOKHBJEH-UHFFFAOYSA-N	424.888	3.848	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc2c3c(cccc13)CC2	743956392	SOKVCOBCUTWFKI-UHFFFAOYSA-N	400.478	3.778	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCNC(=O)c1ccc(F)cc1	745813008	HIRBEJPCNIWKLG-UHFFFAOYSA-N	414.525	3.632	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1	747512741	CDSFGIZMHIOEMC-VQTJNVASSA-N	400.906	3.711	10	20	HHCD	
CN(Cc1ccc([S@](C)=O)cc1)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	749968015	ZZBXEMJGPJKCPC-LJAQVGFWSA-N	409.507	3.698	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1F	751017907	VFIOOZSOPLVZRW-UHFFFAOYSA-N	424.476	3.945	10	20	HHCD	
CCc1oc(C(=O)OC)cc1COC(=O)c1csc(Cc2ccc(N)cc2)n1	751932793	XUGIDYUCQITQQK-UHFFFAOYSA-N	400.456	3.615	10	20	HHCD	
COC(=O)c1ccc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)c(F)c1	751938384	ZNDKVDIFVSGHCT-UHFFFAOYSA-N	400.431	3.599	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3[C@@H]3CCCCC3=O)c2C)cc1	752904031	DUIYOTIKXGGALR-RBBKRZOGSA-N	410.514	3.703	10	20	HHCD	
COC(C)(C)c1noc(CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1	754268175	DPAKUYFGFPXDKJ-ZRDIBKRKSA-N	409.558	3.847	10	20	HHCD	
Cc1cc(Br)ccc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O	759115747	HEHFIPYGIUTACL-XYOKQWHBSA-N	400.319	3.824	10	20	HHCD	
CN1CCC(N(Cc2ccccc2)C(=O)NCCCSc2nccs2)CC1	759590036	KPOHBVADPLGPOK-UHFFFAOYSA-N	404.605	3.931	10	20	HHCD	
Cc1ccc(-c2nc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cs2)n1C	759675106	KWVHYMYSIPWLAA-KRWDZBQOSA-N	411.527	3.984	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1	761666489	ZOVBHTONBJIXBW-VGSWGCGISA-N	411.502	3.972	10	20	HHCD	
C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	763010322	IPDQHJJKJMGTSX-HJPURHCSSA-N	411.521	3.910	10	20	HHCD	
COCc1ccc(/C=C2/SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)o1	764412440	RHXMLEGPKZTNJD-WOJGMQOQSA-N	417.508	3.641	10	20	HHCD	
COc1ccccc1[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nccn1C	764813078	BTVIIWQUQWOWSN-UZUQRXQVSA-N	424.520	3.845	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc4c(c3)OCCCO4)cc2F)CC1	765850708	AOCYJOXZZZOGQR-SFHVURJKSA-N	413.537	3.980	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)c2)CC1	770148159	PZHJYNWFRQCWBB-UHFFFAOYSA-N	403.530	3.883	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C)[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	771459793	LPMRLRSVHHFNHT-HOTGVXAUSA-N	405.489	3.903	10	20	HHCD	
CC(C)CC(=O)Nc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	771839161	DDHLOVMAAOCWEY-UHFFFAOYSA-N	415.877	3.999	10	20	HHCD	
O=C(COC(=O)[C@H]1CCCCS1(=O)=O)Nc1ccc(N=Nc2ccccc2)cc1	772413646	YBYSESQFSSDWPO-GOSISDBHSA-N	415.471	3.551	10	20	HHCD	
C[C@H](NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	773316892	KPVXMMZUGAMMPC-ZLPCBKJTSA-N	404.555	3.949	10	20	HHCD	
CC[C@@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)c1cc(Cl)ccc1O	775491761	IZHRURPPSNNVRT-HXUWFJFHSA-N	402.922	3.986	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2ccnc(N(C)C)n2)cc1	775845118	AQNOSYPQCFFSNM-UHFFFAOYSA-N	403.490	3.954	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc(Br)ncc3C)CC2)cc1	776055431	XTXGHRSZUYKMDX-UHFFFAOYSA-N	405.296	3.515	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1	776065214	ILWYDWJXNODIDF-CQSZACIVSA-N	409.486	3.973	10	20	HHCD	
COC(=O)[C@H](NCc1cc(Cl)cc(OC)c1O)c1ccc(Br)cc1	779173123	BBFINGKYUVIOAF-OAHLLOKOSA-N	414.683	3.821	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C(=O)N2CCc3ccccc32)cc1	779511306	UBPABRAYUGINQH-WUXMJOGZSA-N	400.434	3.953	10	20	HHCD	
CCC[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1	779854292	STHJYIHHASGNCP-CRAIPNDOSA-N	414.468	3.754	10	20	HHCD	
C[C@@H]1CN(c2ccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)cc2)C[C@@H](C)O1	782567105	OGODQFYJNPEHPS-IAGOWNOFSA-N	410.518	3.797	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1	784286003	HFMBGGUYFCCSTI-QHHAFSJGSA-N	406.225	3.742	10	20	HHCD	
CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	785295446	VIROKZSKJJHLKK-GFCCVEGCSA-N	422.934	3.938	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SC[C@@H]1CCS(=O)(=O)C1	788493394	KTHVECWWEDWKNM-LBPRGKRZSA-N	415.378	3.859	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cs1	796681727	VASPPKXHNIAXPE-UHFFFAOYSA-N	408.527	3.782	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)Cn3c(=O)cnc4ccccc43)cc2Cl)C1	800050622	YFHWBBCGDLEEEB-INIZCTEOSA-N	424.932	3.603	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	801050060	BBDRBMNURMMLNK-OPAMFIHVSA-N	404.555	3.760	10	20	HHCD	
CCOC(=O)[C@H]1CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc21	802302472	YQKQUVQGJYPEMF-RBBKRZOGSA-N	412.505	3.934	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(C2CC2)n1Cc1cccs1	802699439	IVPIKXSKCPDSBV-UHFFFAOYSA-N	409.559	3.738	10	20	HHCD	
Cc1ccncc1[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803676456	JGEYNNPOXOYKDW-SFHVURJKSA-N	408.546	3.653	10	20	HHCD	
CC(C)OC[C@H]1C(=O)N(Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C(=O)N1C	804188241	KVNHEWDAYIBJME-KXBFYZLASA-N	407.942	3.764	10	20	HHCD	
Cc1cccc(CCCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	804968935	KMWOYLYPQXQTSD-QZTJIDSGSA-N	414.525	3.575	10	20	HHCD	
Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1N1C(=O)CCC1=O	806270353	XOHUSPLKULYUKT-UHFFFAOYSA-N	422.268	3.983	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3cc(OC)ccc3c2)cc1	806853205	IXZLLDWDKFLLOR-UHFFFAOYSA-N	405.498	3.950	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	806959343	UQOJYZJYXRGQCS-OAQYLSRUSA-N	416.616	3.933	10	20	HHCD	
CC(=O)C(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F	808011613	RWTNPFQRQQMYMQ-UHFFFAOYSA-N	408.813	3.568	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C[C@@H](C)NCc2cccc(OC)c2O)sc(C)c1C	809740065	KSHZWXHUIUOHMU-GFCCVEGCSA-N	420.531	3.763	10	20	HHCD	
Cc1cc(I)ccc1NC(=O)COc1ccc(N(C)C)cc1	810002425	XAXILWAJFVZAIA-UHFFFAOYSA-N	410.255	3.683	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnc(C(F)(F)F)cc2C)cc1	810353075	UJOWDLROZOCBDT-UHFFFAOYSA-N	408.424	3.510	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1c2ccccc2CC12CCOCC2	811885000	SUMTVWRHKLZEGM-QHCPKHFHSA-N	403.526	3.956	10	20	HHCD	
CSC[C@H]1CCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)C1	813590085	HJIWCNHQPQHLSR-JZXOWHBKSA-N	409.571	3.724	10	20	HHCD	
O=C(c1cccc(O)c1O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1	816819706	NDIVUCQIYZVQHH-OAQYLSRUSA-N	417.509	3.800	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccn1	914613754	JXUOCYCIUVTOHJ-OAHLLOKOSA-N	408.414	3.581	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2	915219028	FIIGTZPZBLEYKL-UHFFFAOYSA-N	403.441	3.720	10	20	HHCD	
COC(=O)c1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Cl	915698620	RPVPTIYTRMXNNF-UHFFFAOYSA-N	417.893	3.627	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](c1ccccc1)C(F)(F)F	916577325	RHDNRBYSPKVDDR-IBGZPJMESA-N	407.436	3.968	10	20	HHCD	
Cc1ccc(C)c(N(C)CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	917405986	VIRUCQOTLMGYIP-RTBURBONSA-N	413.537	3.809	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc3c(c2)CCO3)nc1-c1cccc([N+](=O)[O-])c1	917926412	XWVAISIDQLMZEH-UHFFFAOYSA-N	417.468	3.762	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCCN3CCCC[C@H]3C)cc2F)C[C@@H](C)O1	918187481	BYMHPWOWZCWAQH-QRVBRYPASA-N	420.573	3.503	10	20	HHCD	
Cc1cc(C)cc(N2CC[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)C2=O)c1	919708223	GITRCPZCNKWQEZ-QHCPKHFHSA-N	405.542	3.914	10	20	HHCD	
C[C@@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccc(N2CCOCC2)cc1	920888638	UQZFYAFLYVGTBG-LJQANCHMSA-N	417.509	3.988	10	20	HHCD	
CCOc1ccc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1	1322948664	IKILWVLSPBBTAK-UHFFFAOYSA-N	407.436	3.865	10	20	HHCD	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1c(Cl)ccc2nonc12	1339437526	IXNYKAJIYVLJHN-UHFFFAOYSA-N	404.813	3.983	10	20	HHCD	
Cc1noc(-c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc2)n1	105725175	YYZJTBPAWOHQAU-JOCHJYFZSA-N	420.513	3.932	10	20	HHCD	
CCCNC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	141885131	WNTBUKWAMCLBDH-QGZVFWFLSA-N	410.518	3.546	10	20	HHCD	
Cc1ccccc1C1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCOCC1	145753619	DIHXTRALNFOAMN-FQEVSTJZSA-N	408.542	3.757	10	20	HHCD	
COc1cc(N2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC	301911535	GPGUCPPGGLUXEZ-UHFFFAOYSA-N	405.882	3.978	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(F)cccc1Br	393188769	YFUUGPZEVDWUGT-UHFFFAOYSA-N	407.283	3.697	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(C)nn3C3CCN(C)CC3)ccc21	430496113	NBIIDQPALBBUDK-UHFFFAOYSA-N	423.561	3.928	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(N4CCNC4=O)ccc3F)ccc21	468186596	JKLHIUMIMXNNFD-UHFFFAOYSA-N	424.476	3.826	10	20	HHCD	
CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1C1CC1	472781928	BLQWVFBBMULVRQ-AWEZNQCLSA-N	407.518	3.787	10	20	HHCD	
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1	490411920	NJRLBRGSOMAIJU-DEOSSOPVSA-N	405.498	3.513	10	20	HHCD	
Cc1c(CNC(=O)C(=O)NC2CC(c3cccc(Cl)c3)C2)n(C)c2ccccc12	513231475	DDONGQXMVDVXQY-UHFFFAOYSA-N	409.917	3.819	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	726239266	YNLSFAHPFYBMLJ-VAMGGRTRSA-N	416.610	3.640	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1	727249883	COQZEWMVVONOMF-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
COCc1cccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c1	727251310	RISTWQYINHXSLV-UHFFFAOYSA-N	408.476	3.905	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@H](c2ccccc2F)C1	727476465	WIUPGDBOAUGKRN-NRFANRHFSA-N	415.534	3.662	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3csc(-c4ccc(O)cc4)n3)CC2)cc1	728605468	DEBKLANRTYNCRN-UHFFFAOYSA-N	409.511	3.923	10	20	HHCD	
COc1cccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1O	729858690	BETQUESIJICLOY-UHFFFAOYSA-N	405.863	3.513	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1C	734702942	FGYQEZZZZTZVKO-UHFFFAOYSA-N	423.435	3.565	10	20	HHCD	
CC(C)[C@@H](CNC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1	738300638	ZQHOXIVZJMSTDN-XMMPIXPASA-N	409.574	3.511	10	20	HHCD	
CC(C)(CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)NC(=O)OC(C)(C)C	740081610	FGBKEMIDEYVBIO-QGZVFWFLSA-N	406.523	3.593	10	20	HHCD	
CCCNC(=O)c1cccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1	741182573	VIXKTJBCYLQXRQ-UHFFFAOYSA-N	420.557	3.611	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1	742145252	JQRHAYNUAXYLTK-UHFFFAOYSA-N	406.490	3.933	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCSc2ccccc21	743311749	CCMFPCGRAAAKBA-GOSISDBHSA-N	400.519	3.683	10	20	HHCD	
O=C(CN1CCC[C@H](N2CCNC2=O)C1)Nc1ccc(N=Nc2ccccc2)cc1	744200414	IZGUMCSSXYVNDH-FQEVSTJZSA-N	406.490	3.530	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCc4c[nH]nc4C3)c2C)cc1F	745628477	LQFUFVZWKHAROC-INIZCTEOSA-N	409.461	3.796	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(OC)c(OC)c3)cc2F)CC1	746046571	ADBXBBYHTMAHNA-KRWDZBQOSA-N	401.526	3.836	10	20	HHCD	
COc1ccc(OC2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)cc1	746981250	QHMDCALDWRENQD-UHFFFAOYSA-N	409.530	3.831	10	20	HHCD	
Cc1ccccc1Cc1noc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1	751931266	MTLHJRUCVYPFSZ-UHFFFAOYSA-N	420.494	3.955	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	756102102	NPPPCWMKFWKVOW-UHFFFAOYSA-N	411.260	3.972	10	20	HHCD	
Cc1nc2ccccc2n1C[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	756623792	CNFJDVXMECAUNB-QFIPXVFZSA-N	419.573	3.534	10	20	HHCD	
C[C@@H](NCCCN1C(=O)COc2ccccc21)c1cc(Br)cc(F)c1O	756732684	KIQQJNATFSZFMM-GFCCVEGCSA-N	423.282	3.760	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc(Cl)c(Cl)c2O)s1	756758141	FPZRVJAQBNMAME-SNVBAGLBSA-N	409.360	3.698	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1	756885941	MPQSZUPKVIJHTC-LBPRGKRZSA-N	410.392	3.952	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1(Cc2ccccc2)CCC1	757634811	SUTVQPLONMNFII-UHFFFAOYSA-N	411.521	3.875	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@H](C)N(Cc4ccccc4)C3)CC2)cc1	757669593	HLOKQQPJFKNOFM-UGKGYDQZSA-N	422.573	3.626	10	20	HHCD	
COc1cc(N2CCN(C(=O)C(C)(C)c3ccccc3C)CC2)cc(OC)c1OC	759242150	UDHLFXOJGMFADP-UHFFFAOYSA-N	412.530	3.647	10	20	HHCD	
C[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Oc1ccccc1Cl	761069438	VIZIBINMHSCXBL-LBPRGKRZSA-N	409.269	3.931	10	20	HHCD	
CC[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)Oc1cccc(F)c1	761747960	FOSBCUYVURAPAC-MRXNPFEDSA-N	406.841	3.807	10	20	HHCD	
COc1ccccc1C1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCC1	761858706	XWNHAFRZXIOLAM-UHFFFAOYSA-N	414.889	3.940	10	20	HHCD	
C[C@@H](NCC1(CN2CCOCC2)CCCCC1)c1ccc(N2CCOCC2)c(F)c1	766523842	CSZAPTKQBQTXFH-HXUWFJFHSA-N	419.585	3.596	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)nc1C	768010358	BJUFLVPSXAYQOH-UHFFFAOYSA-N	414.459	3.737	10	20	HHCD	
CC(C)[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)S(=O)(=O)C1CCCCC1	769563058	ULPFCEBMFWAURL-NRFANRHFSA-N	407.576	3.659	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4sccc43)cc2F)CC1	771340722	XLTVGPNKXNFHOX-GOSISDBHSA-N	401.551	3.765	10	20	HHCD	
Cc1nc(N2CCOCC2)ccc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	772945785	HWVAYQKQVBMZTG-UHFFFAOYSA-N	411.506	3.737	10	20	HHCD	
COC1(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCCC1	773186139	DBCKJXPKFRXWAQ-LJQANCHMSA-N	419.566	3.784	10	20	HHCD	
COc1ccc(C)cc1CN1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	773613325	PXSOVPULZKFZPV-IBGZPJMESA-N	410.562	3.658	10	20	HHCD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773747618	CBBREHPADDUFEP-SNVBAGLBSA-N	407.492	3.571	10	20	HHCD	
COC(=O)[C@@H](NCc1cc(Br)ccc1O)c1ccc(OC)c(Cl)c1	779179681	GHUVJZCEPBQUEC-INIZCTEOSA-N	414.683	3.821	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(-c4cnn(C)c4)ccc3F)CC2)cc1	782247377	SBNGTWJSINVZLZ-UHFFFAOYSA-N	408.477	3.587	10	20	HHCD	
C[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@@H]2CCCC[C@H]12	782811413	YBQGNTOAOSSWIR-FRFSOERESA-N	420.556	3.905	10	20	HHCD	
CCN(CC)c1nc2sc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc2s1	783265410	YZJXXZBPQWECIY-UHFFFAOYSA-N	406.485	3.655	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)C2CCCCC2)cc1	784060087	VPGKAOIONWUWGD-UHFFFAOYSA-N	420.513	3.848	10	20	HHCD	
Cc1cccc(OCCCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C	787067230	ZIIXEZAFFSJWHD-FQEVSTJZSA-N	411.546	3.969	10	20	HHCD	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	789861154	QAMCXAZOIOHHES-FPOVZHCZSA-N	417.619	3.577	10	20	HHCD	
CC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	791846263	XUJDSQNVMGOSDL-KRWDZBQOSA-N	408.458	3.842	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c(O)c1	792999143	CCWVIUQRHLHVMP-LLVKDONJSA-N	411.271	3.733	10	20	HHCD	
CNC(=O)COc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2O)c(C)c1	794838269	AOUAJBCQGBXUPF-NSHDSACASA-N	411.271	3.900	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1	797624454	FOKZTXXNXXZBCH-XJKSGUPXSA-N	404.438	3.547	10	20	HHCD	
CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cn1	797787211	GWNDYZRJSKZHPG-VBKFSLOCSA-N	413.524	3.916	10	20	HHCD	
CC(C)(C)OC(=O)Nc1ccccc1NS(=O)(=O)c1cccc2nsnc12	799184394	JBPYDZRIVZHDAB-UHFFFAOYSA-N	406.489	3.839	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)c1cccc(Br)c1	801745816	WGVRFJNTGFSOHT-LJQANCHMSA-N	418.335	3.582	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC(F)F)cc1F	801866271	NMEACWILFNJCHC-UHFFFAOYSA-N	409.408	3.928	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1	802172504	HQOQWGABZGIOIK-JOCHJYFZSA-N	404.555	3.507	10	20	HHCD	
COc1cc(Br)cc(CN2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)c1O	802660981	BSUHNOPLWCJZBD-HZPDHXFCSA-N	404.308	3.717	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)NCC3(CC(C)C)CCCC3)CC2)cc1	804318002	VQMXZZDGWGOTTO-UHFFFAOYSA-N	415.578	3.503	10	20	HHCD	
CCC[C@@]1(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCOC1	804537707	CKPUWDIOQFOIOF-LJQBUTKESA-N	424.613	3.805	10	20	HHCD	
CSc1ccc(CCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1	807669932	XSUNZFMROSLDAS-UHFFFAOYSA-N	413.587	3.570	10	20	HHCD	
CCOc1cc(C)ccc1CNC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	807859798	XPWUOQPAZVQING-UHFFFAOYSA-N	411.546	3.515	10	20	HHCD	
CCS[C@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1	809236891	BWIOEUGNSNJBDE-MJGOQNOKSA-N	416.543	3.695	10	20	HHCD	
CC[C@H](NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O	811505297	AITQMTQXBXMYQE-RCBQFDQVSA-N	408.486	3.560	10	20	HHCD	
O=C(NC1CCCC1)OC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1	811510552	JNRHAGYICGEESP-FQEVSTJZSA-N	419.541	3.686	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ncn(C(C)(C)C)n3)c2C)cc1	812693353	AQKXFVHAPASHOJ-UHFFFAOYSA-N	424.501	3.879	10	20	HHCD	
Oc1cc(F)c(Cl)cc1CN1CCN(Cc2nc(-c3ccccc3)no2)CC1	816489281	QJZVVERZICBVMZ-UHFFFAOYSA-N	402.857	3.553	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)c1cc(Br)cc2nc(O)[nH]c12	816890652	RRZYRFMHVIWLMJ-UHFFFAOYSA-N	401.264	3.884	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3cccnc3-n3cccn3)c2C)cc1	915196185	OACAMPVTECBJQV-UHFFFAOYSA-N	401.470	3.613	10	20	HHCD	
COc1ccccc1[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)N1CCCC1	915685181	MAZHHOAUNCVHFU-QHCPKHFHSA-N	422.573	3.932	10	20	HHCD	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	916680575	NGHYZYFSAZFZSK-LJQANCHMSA-N	411.502	3.616	10	20	HHCD	
COC(=O)COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1	917646191	YTVOKVBJVMUAEH-UHFFFAOYSA-N	422.481	3.740	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@H]3CCCN3c3ccccc32)cc1	918312336	XUJSCSUNUMFQMG-OAQYLSRUSA-N	420.557	3.507	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCC3CCCC3)cc2F)C[C@@H](C)O1	918858016	BTSOXJDHPSVCAN-IAGOWNOFSA-N	420.525	3.569	10	20	HHCD	
Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1-n1cccc1	919970357	XCKWLFJOTWVUNQ-UHFFFAOYSA-N	403.526	3.924	10	20	HHCD	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccccc3Cl)n2)cc1	1318213527	ZOFYECMSDDIHIS-UHFFFAOYSA-N	421.931	3.900	10	20	HHCD	
O=C(Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3F)CCC2)cc1)c1cc(O)c(O)c(Cl)c1	1790778092	UIMIVTPOUBUODM-GOEBONIOSA-N	418.852	3.857	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)CC(=O)Nc3cc(C)ccn3)c2C)cc1	110975068	VJXSFGAWNULICU-UHFFFAOYSA-N	406.486	3.517	10	20	HHCD	
Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c(C)n1-c1ccccn1	116072853	FSIOEJOHMWPIDN-UHFFFAOYSA-N	412.484	3.971	10	20	HHCD	
C[C@H](NC(=O)NCCCCN1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1	139989357	ZXNPQQBRUUALQU-PMACEKPBSA-N	402.583	3.538	10	20	HHCD	
Cc1ccc(-n2ncc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2C)cc1	145632692	UNHYZUCFFHEZPO-SFHVURJKSA-N	404.514	3.817	10	20	HHCD	
Cc1c(CNC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)n(C)c2ccccc12	472239795	ITDWKHDVIWJEMU-UHFFFAOYSA-N	422.504	3.684	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1	728603590	RIIOHQVEVSZRFH-QHCPKHFHSA-N	408.590	3.897	10	20	HHCD	
Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n[nH]1	731015216	STUAPTZFJWEWNE-UHFFFAOYSA-N	406.534	3.593	10	20	HHCD	
Cc1ccc(COc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3O)c2)cc1	732477951	IKWPHVDUIBPONN-UHFFFAOYSA-N	404.466	3.877	10	20	HHCD	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	734660235	NGRMQBHSQPIYNW-FXAWDEMLSA-N	411.521	3.874	10	20	HHCD	
CCN1CCN(c2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)c(C)c2)CC1	740677912	AKXLKAQHIHHSPI-UHFFFAOYSA-N	419.573	3.835	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(Cl)c1	740848160	NTTOYZAAXNDORD-FUHWJXTLSA-N	408.951	3.833	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)c1	742444473	XXXZHIXJDLZCGZ-LJQANCHMSA-N	409.829	3.998	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)s1	742573163	JMHLFWLJRYKTGD-CYBMUJFWSA-N	409.349	3.767	10	20	HHCD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	742689060	CUUNAHSQXDVGAD-TZYHBYERSA-N	402.579	3.885	10	20	HHCD	
COC(=O)[C@H](NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)c1ccccn1	742790322	GCXAFPPJXSGZPX-OAQYLSRUSA-N	411.889	3.716	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1	743718467	CEKHHEOAWBPGJV-UHFFFAOYSA-N	409.486	3.712	10	20	HHCD	
COc1cccc(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1O	745489958	YRWIIFLGXWZVMS-KRWDZBQOSA-N	421.900	3.830	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H](c2cc[nH]n2)C1	745905671	PTOKRHWYNVETOU-HOTGVXAUSA-N	419.476	3.569	10	20	HHCD	
CCN(C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1)CC(F)(F)F	747934610	NUKVGVBFBYQJFU-QGZVFWFLSA-N	408.468	3.835	10	20	HHCD	
CO[C@@H](C)c1noc(CN2CCCN(Cc3cc(C(C)C)c(C)cc3O)CC2)n1	749979312	JUCUBVJDQMJLEB-KRWDZBQOSA-N	402.539	3.622	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1C(=O)OC	752712288	QEZJCFIWKHPPSK-UHFFFAOYSA-N	407.264	3.995	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(C(=O)NC2CCOCC2)cc1	753892870	FCFWFAVCFFTWEF-UHFFFAOYSA-N	422.529	3.517	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3cnc(Br)cc3C)CC2)cc1	754457081	LDMJJXVHSRFGMQ-UHFFFAOYSA-N	419.323	3.905	10	20	HHCD	
CCc1ccc(-c2noc([C@H](C)NCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2)cc1	755161613	IESFGBJFILEPPC-KRWDZBQOSA-N	421.545	3.674	10	20	HHCD	
C[C@@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1cc2c(cc1O)CCCC2	756643177	SVGKCGIKNCEQHO-QGZVFWFLSA-N	401.595	3.548	10	20	HHCD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	758002344	GYBYRPDCFZUCIP-RBSFLKMASA-N	402.514	3.589	10	20	HHCD	
COc1cc(N2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc(OC)c1OC	759873232	SNLFTBFRQPTOFD-UHFFFAOYSA-N	409.486	3.690	10	20	HHCD	
Cc1ccc(C(C)(C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	760094394	KYIBDLNYMZVROS-IAGOWNOFSA-N	414.525	3.877	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)cc2F)C[C@@H](C)O1	763479241	SWJIDGOGGJBJLS-AWQBJMPUSA-N	421.557	3.832	10	20	HHCD	
Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)CO2	763668251	YKPUNHOETYEEFF-TWOQFEAHSA-N	413.493	3.681	10	20	HHCD	
O=C(NCCc1ccccc1OC(F)F)NCc1cccc(Br)c1O	764803546	CHXFQUOVQSULGJ-UHFFFAOYSA-N	415.234	3.798	10	20	HHCD	
CCOc1cccc(CN2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c1O	769160580	JZFXHISQDSCSRM-OAHLLOKOSA-N	414.531	3.781	10	20	HHCD	
CCOc1ccc(O)c(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c1	769313735	PTEYPGQAHQUTHL-HNNXBMFYSA-N	424.497	3.605	10	20	HHCD	
CC(C)OC[C@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCO1	770362251	WXZZJXVZIULGQX-JOCHJYFZSA-N	403.567	3.791	10	20	HHCD	
C[C@H](CSCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	773038397	QCWVGZFHGNXBFC-QGZVFWFLSA-N	402.535	3.848	10	20	HHCD	
COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC	773190503	GBZLPOOEAGETMO-GJZGRUSLSA-N	401.507	3.900	10	20	HHCD	
Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1	775732945	CFRJWOAQLJURQY-HSZRJFAPSA-N	403.574	3.761	10	20	HHCD	
C[C@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCN1S(C)(=O)=O	776464174	DLZGATYIHOQWOA-HNNXBMFYSA-N	401.492	3.600	10	20	HHCD	
CN(C)c1ccc([C@@H](CN[C@H](c2nccn2C)C2CC2)NC(=O)OC(C)(C)C)cc1	776492028	HFJYCJVNIYBOBZ-UXHICEINSA-N	413.566	3.793	10	20	HHCD	
C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	776864367	IEPMFMXSLNNGQB-QGZVFWFLSA-N	402.583	3.900	10	20	HHCD	
CC(C)(C)OCc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)no1	777270053	VRAIFTXNLPIOIG-GOSISDBHSA-N	417.506	3.586	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(OCC(F)(F)F)cc3)c2)CC1	781046963	KMZBFUVDYZZMHS-UHFFFAOYSA-N	421.419	3.549	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)C2CCCCC2)cc1	784058413	TZRGLMDQHLHUHD-UHFFFAOYSA-N	421.476	3.898	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cnc(O)c4ccccc34)cc2F)C[C@@H](C)O1	786795411	KXAZONOQDASBQY-GASCZTMLSA-N	409.461	3.623	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	788246823	NZVVJIAJHWPPRM-SFTDATJTSA-N	403.567	3.839	10	20	HHCD	
Cc1ccc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	789860415	LDWKVBKFRKKZQG-JOCHJYFZSA-N	423.582	3.528	10	20	HHCD	
C[C@@H](NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	790836454	YEGKNTHGSDIXMT-AYBZRNKSSA-N	422.545	3.803	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccccc2OC)CCCC1	793865493	UGNJPJDWMFWVID-UHFFFAOYSA-N	424.541	3.768	10	20	HHCD	
CCCc1nc(C(=O)NCc2ccc(OC)cc2O)nn1-c1ccccc1Cl	794383964	UQJBTPUQCJPFIM-UHFFFAOYSA-N	400.866	3.517	10	20	HHCD	
Cc1cc(C(=O)COc2ccccc2S(C)(=O)=O)c(C)n1-c1cccc(F)c1	795251654	HKVVUSGEUFZLPD-UHFFFAOYSA-N	401.459	3.898	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc2c1CCO2)c1ccc(N)cc1	797054733	KXZAELZLGJJKKW-INIZCTEOSA-N	401.466	3.937	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](C4OCCO4)C3)cc2Cl)C1	800719591	LPFKFIILAUECGZ-WMZOPIPTSA-N	421.969	3.871	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1	801549063	CWFDAVOUMJJGIS-UHFFFAOYSA-N	420.531	3.521	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1	801854453	KRSXIQULZJIHIK-YADHBBJMSA-N	421.545	3.757	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](CCO)c3ccc(Cl)cc3)CC2)cc1	806684405	WDWNJLYBEUHKLY-OAQYLSRUSA-N	417.937	3.740	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1cccc(Cl)c1)C(C)C	807097687	QNAGPKDZJNLMPU-UHFFFAOYSA-N	401.938	3.768	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccnc(Cl)c3Cl)CC2)cc1	811473047	UVSIHYJNFBACNK-UHFFFAOYSA-N	409.361	3.699	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCCCC34CCCC4)cc2)C1	812930620	PYJCZPSDTFDOLK-TZIWHRDSSA-N	412.578	3.691	10	20	HHCD	
Cc1nc(S[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[nH]c1C	814776555	BMKVGFJBUOMLEO-ZDUSSCGKSA-N	405.479	3.921	10	20	HHCD	
O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1	816488325	PTWQGHWJKARZPF-UHFFFAOYSA-N	401.869	3.553	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3ccccc3C(F)(F)F)CC2)cc1F	857464946	XJERYBGWFZYTDS-UHFFFAOYSA-N	412.383	3.581	10	20	HHCD	
Oc1ccccc1CN(C[C@H](O)COc1ccc2ccccc2c1)C[C@@H]1CCCO1	916633381	ZWSCGLWJSOZUPW-UPVQGACJSA-N	407.510	3.966	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cnn1-c1ccccc1	917713533	RWGGVOJKRDJSFC-IAGOWNOFSA-N	422.504	3.863	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCCn3cnc4ccccc43)cc2F)C[C@H](C)O1	918139443	DHKBGEHJGUKGSU-ROUUACIJSA-N	424.520	3.886	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](c1ccccc1)C(F)(F)F	918208644	DYZWINXYWGPGHH-GOSISDBHSA-N	411.399	3.765	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c(C)n1-c1cccc(Cl)c1	920429159	JFHFVWWMXXLMBM-FQEVSTJZSA-N	401.938	3.684	10	20	HHCD	
C[C@@H](NC(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccc(N2CCOCC2)cc1	920871512	AZTODXXLSIZBSB-GOSISDBHSA-N	422.529	3.923	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	1319762042	FPAJHALQCULNPG-NRFANRHFSA-N	422.573	3.507	10	20	HHCD	
CCOc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1OC	56479099	FOFDYMPMKDKRFF-UHFFFAOYSA-N	409.530	3.878	10	20	HHCD	
O=C(NCCCSc1nccs1)C1CCN(C(=O)/C=C\c2ccccc2)CC1	210137564	PIKXZRNDFJXAHB-FPLPWBNLSA-N	415.584	3.694	10	20	HHCD	
COc1ccc(O)c(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)c1	237282834	FEDMSLZNTCOIOU-UHFFFAOYSA-N	400.482	3.997	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(Cl)c(Br)c1	327690065	IZGJCBTVAHWHQP-UHFFFAOYSA-N	424.726	3.606	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCc1ccnc(Cl)c1)c2[N+](=O)[O-]	726198775	WESKPVBFUZFZFF-UHFFFAOYSA-N	422.780	3.776	10	20	HHCD	
COc1cc(Br)c(CNC(=O)NCc2ccc(N(C)C)cc2)cc1OC	727160858	LDICUSXFZRQBFG-UHFFFAOYSA-N	422.323	3.532	10	20	HHCD	
O=C1/C(=C\c2ccc(N3CCOCC3)c(F)c2)NC(=S)N1c1ccccc1Cl	727263971	KFSBGBRHMCBLKM-FOWTUZBSSA-N	417.893	3.578	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)c1	729037249	RJQRXRBVJRKTLM-IXDOHACOSA-N	413.518	3.893	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c(C)n1-c1cccc(Cl)c1	732560080	JUMCMTJYYIEOQL-MRXNPFEDSA-N	413.827	3.641	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCOC3CCCCCC3)cc2F)C[C@@H](C)O1	735681851	RLNGVILRVOVHJV-QZTJIDSGSA-N	421.557	3.978	10	20	HHCD	
CN(C)Cc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)oc2ccccc12	735854402	OQVQJSMIMKQWSH-UHFFFAOYSA-N	409.555	3.978	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(Cn2cncn2)cc1	735886258	BDJOFCKSNUPRTR-UHFFFAOYSA-N	406.534	3.513	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](c3c(F)cccc3Cl)N(C)C)CC2)cc1	740700716	BXJGCATWXFOVMH-OAQYLSRUSA-N	419.928	3.876	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c(F)cccc1F	742334047	DSOXMDZVNMBLOS-GFCCVEGCSA-N	418.412	3.514	10	20	HHCD	
COc1ccc(N2CCN(CCNc3ncnc4c3oc3ccccc34)CC2)cc1	742927989	FDABFVKDHFFEAY-UHFFFAOYSA-N	403.486	3.619	10	20	HHCD	
O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N(Cc1ccco1)Cc1ccccc1O	743430826	LTCBJKCTGGNRLO-HXUWFJFHSA-N	408.429	3.706	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(N2CCOCC2)cc1	743809028	LIFPWFGUDKHKPT-UHFFFAOYSA-N	419.319	3.654	10	20	HHCD	
COc1cccc(CNC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c1O	745794870	PUYKOEHVWWYFHY-OAQYLSRUSA-N	416.481	3.876	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O	746601984	LDHFGCKROFHFPX-UHFFFAOYSA-N	407.436	3.645	10	20	HHCD	
COc1ccc(Br)c(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c1	746722631	WFUWXTLNBFYNDK-UHFFFAOYSA-N	410.287	3.662	10	20	HHCD	
CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	748298680	XKGVTKUHMICLIR-NRFANRHFSA-N	400.494	3.508	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)s1	749920667	YGJDDIBPBDVGFH-UKRRQHHQSA-N	405.951	3.523	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(C)cc3Cl)CC2)cc1F	753861520	RHGHAUWMWQXXPW-OAHLLOKOSA-N	405.901	3.945	10	20	HHCD	
COC(=O)c1coc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1	753919554	WHDIRYZAGKGYAZ-UHFFFAOYSA-N	420.424	3.844	10	20	HHCD	
C[C@@H]1C[C@@H](NCCNC(=O)c2ccc(Br)cc2)c2c(O)ccc(F)c21	756459321	MOPBVNUZIWPVAT-IAQYHMDHSA-N	407.283	3.862	10	20	HHCD	
Cc1ccc(O)c([C@H](C)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1	756607361	CXXAISJPDLZHEH-INIZCTEOSA-N	408.589	3.830	10	20	HHCD	
Cc1ccc(O)c([C@@H](C)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1	756607363	CXXAISJPDLZHEH-MRXNPFEDSA-N	408.589	3.830	10	20	HHCD	
C[C@H](NCCNC(=O)c1c(F)cccc1F)c1cc(Br)c(F)cc1O	756708554	QUBNEAFAHXXQBS-VIFPVBQESA-N	417.225	3.653	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccnc(Br)c3)cc2F)C[C@@H](C)O1	758176455	FKVPESGINVRVDH-CHWSQXEVSA-N	422.298	3.527	10	20	HHCD	
COc1cc2c(cc1CN[C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)OCO2	759159370	VMAZSRNWTBXMMT-HNNXBMFYSA-N	406.429	3.784	10	20	HHCD	
CCNc1nc(C)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1	759223590	JLPABSMAHJIHQB-STQMWFEESA-N	406.527	3.566	10	20	HHCD	
COc1cc(Cl)cc(CN2CCc3cc(OC)c(OC)c(OC)c3CC2)c1O	761206261	UYHYHOHLSKFLGL-UHFFFAOYSA-N	407.894	3.681	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2cccc(S(=O)(=O)CC)c2)cc1	763381961	JTJFXWGDYAOLGY-UHFFFAOYSA-N	402.560	3.528	10	20	HHCD	
C[C@H](NCc1cccc(CN2CCCC2=O)c1)c1ccc(N2CCOCC2)c(F)c1	764913215	KLBMFCCNRHFPKE-SFHVURJKSA-N	411.521	3.636	10	20	HHCD	
CCOCCCN1CC[C@H](NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[C@@H](C)C1	765125459	FJTOUJWRDDWZDI-MXBUBSDBSA-N	421.601	3.666	10	20	HHCD	
C[C@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(N2CCOCC2)cc1	765332463	YHVJCZLFUSZIBG-FQEVSTJZSA-N	408.590	3.909	10	20	HHCD	
C[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(N2CCCCC2)cc1	765733168	URACDATVZNBVLA-LJQANCHMSA-N	421.589	3.624	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCOC4(CCOCC4)C3)c2C)cc1F	767907446	ZJDKXQYEXKGEOB-UHFFFAOYSA-N	400.494	3.606	10	20	HHCD	
C[C@@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1ccc(N2CCOCC2)cc1	769886447	OBWILKUVFRDFLF-CQSZACIVSA-N	418.419	3.681	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](OC(C)C)c2ccccc2OC)c1	770491608	CYPGSGOUMWEJED-VFNWGFHPSA-N	402.491	3.936	10	20	HHCD	
CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ncccc1F	771485188	JVUAQRQFHXPZKG-KAMYIIQDSA-N	421.544	3.927	10	20	HHCD	
COc1ccc(CSCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-]	773994580	OJRDCUVVJCYFSP-CQSZACIVSA-N	403.504	3.780	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1O	774881791	WUTMIQPTLLAROS-GOSISDBHSA-N	406.866	3.908	10	20	HHCD	
COCCOc1ccc(C(F)(F)F)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O	774933224	AMVUQGQKUVAGRB-UHFFFAOYSA-N	416.352	3.965	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN1CCC[C@@H](C2OCCO2)C1	775675044	QICLASUAAJMGLY-SNVBAGLBSA-N	421.129	3.502	10	20	HHCD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	775774366	PKQCBOQOSFWECO-XZOQPEGZSA-N	409.530	3.619	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)cc1F	776911604	AXNJRCHWPIUQTO-QFIPXVFZSA-N	403.473	3.614	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cnn(CC(F)F)c1	777665768	QPPILPFNTPYKFP-UHFFFAOYSA-N	410.471	3.561	10	20	HHCD	
CCSc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1	779685272	RGBFHVNAZWIHJZ-SFHVURJKSA-N	401.532	3.790	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cnc2ncc(Br)cc2c1	780937399	WSTUTWAZICFXPU-UHFFFAOYSA-N	412.287	3.907	10	20	HHCD	
CN(Cc1cnc(N(C)C)nc1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	785083722	FZLSMOYOCCWDLI-UHFFFAOYSA-N	417.473	3.555	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@H]3CCCC(C)(C)C3)CC2)cc(OC)c1OC	785583083	BGNZSKFWCLAORT-INIZCTEOSA-N	405.539	3.513	10	20	HHCD	
CC[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ncc[nH]1	785635395	SAPJVFAOOXWFQD-MBFWDRTGSA-N	420.585	3.720	10	20	HHCD	
C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1cc(Br)c(F)cc1O	786960519	JNUVBBGTKDJLQC-QMMMGPOBSA-N	408.314	3.610	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1	787855128	NTLBWCMKYRBJCE-OAHLLOKOSA-N	420.456	4.000	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cc1	787872040	JMHXJUIYNZJAJD-SFHVURJKSA-N	411.546	3.814	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)NCc2c(Cl)cccc2Cl)C2CC2)cc1	787892120	MOPLKWRXBNTBTD-UHFFFAOYSA-N	420.340	3.867	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3scc(C)c3Cl)CC2)cc1	790219872	NDRKFDODGWSEOT-UHFFFAOYSA-N	407.967	3.661	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-n2ccc(C)n2)cc1	793070296	CNGQUPIUXVPMHM-UHFFFAOYSA-N	406.486	3.654	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)NC[C@H]2Cc3ccccc32)cc1)C1CCCCC1	793679162	YPRQQIFKGICDPV-HXUWFJFHSA-N	405.542	3.528	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2sc(N3CCCC3)nc2s1	793795896	HGJSTORCPWWRJS-NSHDSACASA-N	403.529	3.730	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(COC)ccc2OC)cc1	795785006	YTYQEMDWINYKOB-UHFFFAOYSA-N	406.548	3.509	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(C)n1-c1cccc(F)c1	796334912	YNCMSZIJIFBSAZ-KXBFYZLASA-N	412.427	3.909	10	20	HHCD	
COc1cccc(CNCc2ccc(I)c(Cl)c2)c1O	800293394	CUANSCONKMZADU-UHFFFAOYSA-N	403.647	3.949	10	20	HHCD	
COc1ccc2oc([C@H](C)NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c(C)c2c1	804757671	CCNUAVUSHSTRQR-INIZCTEOSA-N	423.513	3.652	10	20	HHCD	
Cc1cccc(CCCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	805760641	NMSLQYLLKUYMMT-GOSISDBHSA-N	418.488	3.892	10	20	HHCD	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	805884136	MGHRAWATVITLNM-HSZRJFAPSA-N	405.542	3.891	10	20	HHCD	
CC(C)n1ncc2c(C(=O)O)cc(/C=C/c3ccc(N4CCN(C)CC4)cc3)nc21	806560290	LFJDJZNVKBNMGM-QPJJXVBHSA-N	405.502	3.633	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCCN(Cc2ccccc2)C1=O	807039431	XQEZTKUEPZMCJH-KRWDZBQOSA-N	422.312	3.689	10	20	HHCD	
O=C(O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1C(F)(F)F	808113937	NHHLBGPWDQJALK-UHFFFAOYSA-N	413.732	3.703	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1	809193599	SEAQURNPWFLXHI-FCHUYYIVSA-N	407.558	3.629	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)ccc1O	811705550	UUVQLLZTWCHSCI-UHFFFAOYSA-N	418.830	3.819	10	20	HHCD	
COc1cc(C[C@H](CO)CN[C@H](C)c2cccc(C(F)(F)F)c2O)cc(OC)c1	815585726	QOCUNXPFHRPBHN-HIFRSBDPSA-N	413.436	3.930	10	20	HHCD	
COc1ccc(NCc2cc(Cl)c(F)cc2O)cc1S(=O)(=O)N1CCCC1	816607090	FIYMVGFJOYCHBK-UHFFFAOYSA-N	414.886	3.590	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c(C)n1-c1ccccn1	914849024	BIMDYARMSWSRGT-SFHVURJKSA-N	400.486	3.552	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)cc1	915651895	IBLXRXCSQYHGKT-IBGZPJMESA-N	404.514	3.644	10	20	HHCD	
O=C(NCC1(c2ccccc2)CCOCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916623374	OUUPMHJLBOBEGZ-QFIPXVFZSA-N	424.541	3.831	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cc(Br)cs1	916626790	QZVJMLJRUUVOTH-UHFFFAOYSA-N	424.364	3.689	10	20	HHCD	
CC(C)Oc1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl	917391733	HENOFEZKQQHOEV-UHFFFAOYSA-N	403.910	3.631	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@H]3Cc4ccccc4S3)cc2F)C[C@@H](C)O1	917714697	NPWLJDBYJJVWFE-LRAJWGHMSA-N	400.519	3.773	10	20	HHCD	
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	1178182611	CSSWUHBNZOOVJX-YPXLCKBNSA-N	404.532	3.578	10	20	HHCD	
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(N(C)C)cc1	18214867	PPBSGTQBBMWSEI-IBGZPJMESA-N	419.978	3.574	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccnc1Sc1ccccc1	54284573	NLOPXSLHHZYWFN-UHFFFAOYSA-N	405.523	3.999	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1F	195737639	OSTMNJMZMMGGTP-UHFFFAOYSA-N	412.387	3.506	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)n(C)c2ccccc12	472788211	MNRKZQVVFGDSON-UHFFFAOYSA-N	405.376	3.640	10	20	HHCD	
COCCn1c(C)cc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)c1C	726986277	MTJBWFYBTJAUEY-YBEGLDIGSA-N	403.529	3.561	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c1	729045878	ZZRXELMBKXKXDS-ORAYPTAESA-N	414.893	3.938	10	20	HHCD	
COc1cccc(OC)c1OC[C@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1	730081271	NVFPWSGNHRWIBI-OAQYLSRUSA-N	414.546	3.566	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCCc3ccc(Cl)cc3)cc2F)CC1	730111748	LOHVGBBCVSBIDV-UHFFFAOYSA-N	418.944	3.663	10	20	HHCD	
Cc1cc(C(=O)NCCCNC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1	732129929	SDFNSONGPYCGLT-UHFFFAOYSA-N	411.452	3.922	10	20	HHCD	
CCOC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1	733797101	PQXWBKXUBQVKLM-DLBZAZTESA-N	420.509	3.538	10	20	HHCD	
O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCCCSc1nccs1	733880225	BUWFSQKXFYHRTG-ZDUSSCGKSA-N	413.977	3.898	10	20	HHCD	
Cc1cc(C(=O)NCC2(C(N)=O)CCCC2)c(C)n1-c1ccc(Br)cc1	734465812	BMMHWQBURPBYQV-UHFFFAOYSA-N	418.335	3.632	10	20	HHCD	
CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1ccc(N(CC)CC)c(F)c1	736077787	NEONDWJATCYATN-UZLBHIALSA-N	406.546	3.508	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1	743337111	QVNDWPKFKYKCOK-KXBFYZLASA-N	414.502	3.887	10	20	HHCD	
COCCOCc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1F	743338528	FOTUELIOFQMPHF-FQEVSTJZSA-N	417.477	3.516	10	20	HHCD	
Cc1nc(C)c(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)s1	743554641	JRGZOTAMOUKGEH-BETUJISGSA-N	406.527	3.512	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)C2CC2)cc1	745926119	GSJBOXYOQBQPQL-UHFFFAOYSA-N	404.555	3.730	10	20	HHCD	
CC[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)Oc1ccccc1Cl	748960582	OVXKABAMYMQKCU-LJQANCHMSA-N	417.937	3.833	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1	749180896	BXWSQAAMJQOZFY-UHFFFAOYSA-N	417.513	3.742	10	20	HHCD	
Cc1cnc2c(S(=O)(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cccc2c1	751137385	QPQLXYFAEWWPEJ-LJQANCHMSA-N	412.511	3.619	10	20	HHCD	
O=C(c1ccc(=O)n(-c2cccc(F)c2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	751389226	WIDYLZCVSOARJP-NRFANRHFSA-N	422.456	3.504	10	20	HHCD	
Cc1cc(Cl)c(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1[N+](=O)[O-]	752190684	JHGPBHYRXFDYQZ-UHFFFAOYSA-N	410.864	3.876	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCOCC3(CCOCC3)C2)cc1)C1CCCCC1	753130632	GSVMNZZEIISAHX-UHFFFAOYSA-N	415.578	3.794	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCS(=O)(=O)[C@H]4CCCC[C@H]43)c2C)c1	753692275	QZQVBZILWZKBOV-RTWAWAEBSA-N	400.544	3.584	10	20	HHCD	
Cc1nn(C)cc1CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	753699410	NBLHYLHFXZETLK-UHFFFAOYSA-N	401.308	3.829	10	20	HHCD	
Cc1cc(C(=O)Cn2nnnc2Cc2ccccn2)c(C)n1-c1ccc(F)c(Cl)c1	754458464	PLUORKOVYOEHJI-UHFFFAOYSA-N	424.867	3.742	10	20	HHCD	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1	754550882	GXRUSGGZCKHMQF-CVEARBPZSA-N	418.493	3.685	10	20	HHCD	
CCOC(=O)[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCOCC1	755198322	NXDGRKKHJNVSDQ-QFIPXVFZSA-N	424.501	3.988	10	20	HHCD	
COc1ccc([C@@H](CN[C@@H](C)c2cc(Cl)ccc2O)N2CCOCC2)cc1OC	756363408	OBYQCZRMQFLBHN-HNAYVOBHSA-N	420.937	3.787	10	20	HHCD	
C[C@H](NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O	756378430	DIMFZNJTWXMLGT-LIRRHRJNSA-N	405.882	3.678	10	20	HHCD	
CCc1ccc([C@@H](C)C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1	759220092	DBHCRTHDIKRAES-QGZVFWFLSA-N	412.530	3.727	10	20	HHCD	
CN(C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCN(S(C)(=O)=O)CC1	759489282	GUAINHNKBMYEKY-UHFFFAOYSA-N	415.519	3.990	10	20	HHCD	
Cc1ccc(S(=O)(=O)c2ccc(COC(=O)/C=C/c3ccc(O)c(O)c3)cc2)cc1	759597883	UCWVYCZMLOMXPH-NTUHNPAUSA-N	424.474	3.996	10	20	HHCD	
Cc1ccc(Cl)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	762415978	LHTKGLOXFDQEFU-MRXNPFEDSA-N	402.878	3.500	10	20	HHCD	
CN(C)c1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	764727300	KOBDAAZDWCUUPD-CQSZACIVSA-N	405.449	3.540	10	20	HHCD	
O=C1/C(=C/c2cc(Br)cc3c2OCC3)SC(=S)N1Cc1ccon1	764886148	NKHKPZPYLLTDMW-QPEQYQDCSA-N	423.313	3.773	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@@H](c1ccccc1)N1CCSCC1	765764034	FYWXLNRAYZEGAH-QGZVFWFLSA-N	421.360	3.561	10	20	HHCD	
Cc1ccc(C[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C(C)C)cc1	765978682	FHIDXIIECPXKJG-QHCPKHFHSA-N	400.588	3.587	10	20	HHCD	
C[C@@]1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO[C@H]1C1CC1	767956115	RKXLYOHYQLGHMD-UGKGYDQZSA-N	423.504	3.761	10	20	HHCD	
COc1cc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c(O)cc1C	768449061	DEDRSUDYVJLFIT-HNNXBMFYSA-N	424.497	3.524	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	769313695	PINRKICQAWKJGR-QGZVFWFLSA-N	421.557	3.788	10	20	HHCD	
CN(C)C1CCN(c2ccc(NCc3cccc(Br)c3O)nc2)CC1	769416587	ZUPRHCBMRMCMRH-UHFFFAOYSA-N	405.340	3.692	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C3(CCOCc4ccccc4)CC3)CC2)cc1F	771398825	NFIKQBPMXGKHOI-UHFFFAOYSA-N	412.505	3.870	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)cc1	772700098	PIFFTLWNQAFSDA-UHFFFAOYSA-N	416.525	3.771	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)c(F)c1	772979963	JJENSTPJBOQNHA-DNVCBOLYSA-N	417.912	3.772	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1	773229095	HDTXTXQHIYCNBM-SFHVURJKSA-N	417.575	3.503	10	20	HHCD	
C[C@H]1C[C@@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)CCN1Cc1ccccc1	775688530	SUNJONYWWMBCAT-NVQXNPDNSA-N	406.618	3.923	10	20	HHCD	
CN1CCN(c2ccc(CN(C)C3CCC(NC(=O)OC(C)(C)C)CC3)cc2)CC1	775735166	JWFGYGHKOSPSHU-UHFFFAOYSA-N	416.610	3.706	10	20	HHCD	
O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc(O)c1O	776597591	MPKNELBHZFBCFZ-UHFFFAOYSA-N	418.858	3.804	10	20	HHCD	
COC(=O)N1CCC([C@H](C)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	777259616	YMCBNWLFNBJCHI-SFHVURJKSA-N	416.566	3.685	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C(\C)c1ccccc1OC	777829493	YQUCFJTZTRLFRI-GXDHUFHOSA-N	403.862	3.659	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](c3ccccc3)c3ccccn3)CC2)cc1	779003666	YFESXPLITSXBNG-SANMLTNESA-N	416.569	3.982	10	20	HHCD	
CC1(NCc2ccc(N3CCOCC3)c(F)c2)CCN(C(=O)OC(C)(C)C)CC1	779196144	PHVDUTGABJRAPP-UHFFFAOYSA-N	407.530	3.542	10	20	HHCD	
O=C(NCc1ccccc1O)Nc1ccnn1Cc1ccc(Br)cc1	779459195	IYHHUMCGMOIDJZ-UHFFFAOYSA-N	401.264	3.721	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(OC)cc3OCC3CC3)c2)CC1	788465478	VWNUMTGYUDTFSA-UHFFFAOYSA-N	409.530	3.878	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1cnc2ccccc2c1	792305299	WIPVAZNALHFROE-UHFFFAOYSA-N	412.873	3.728	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1O	793369136	HIKDNFUOCZXIMX-ZDUSSCGKSA-N	420.771	3.804	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)cn1	794802478	NNEITSTXCYKBSE-OAHLLOKOSA-N	404.352	3.904	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c(F)c1	795611837	KIMZBLXMSVLUBI-UHFFFAOYSA-N	410.448	3.746	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1	797624060	YVXRAZRZBGERMS-SNVBAGLBSA-N	417.359	3.525	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1	797627238	HHKZWDZXLNWFTA-ZDUSSCGKSA-N	424.457	3.690	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O)cc1F	797718972	ITYLCOOFWJCDNQ-FQEVSTJZSA-N	401.482	3.509	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1c(C)noc1C	809617454	AOHISFOEBREPQM-IBGZPJMESA-N	413.518	3.926	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)cc1	811683089	MJWLWHIXTMBYHZ-UHFFFAOYSA-N	422.450	3.576	10	20	HHCD	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(O)c3)SC2=S)cc1	814274093	GOUJKXVUBSETHT-BOPFTXTBSA-N	415.492	3.983	10	20	HHCD	
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(O)c(O)c1	849201137	HMBDRRUFFCUVLX-UHFFFAOYSA-N	406.261	3.620	10	20	HHCD	
CCN(CC)CCNC(=O)c1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1	864038417	PAXCEXXFKWYWDJ-UHFFFAOYSA-N	404.505	3.715	10	20	HHCD	
CC(=O)N/C(=C\c1ccccc1)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	871637785	MJXTYNZGZSJOKO-ULJHMMPZSA-N	401.510	3.930	10	20	HHCD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	914613971	PWXKQCSCPUBXPU-UHFFFAOYSA-N	408.414	3.501	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)nc1-c1ccc(F)cc1	917850699	SEIHCBGFSVEVOC-UHFFFAOYSA-N	419.503	3.760	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1	918228914	RKNIYFCNZFKSDB-KRWDZBQOSA-N	417.575	3.839	10	20	HHCD	
CCN(C(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C)[C@H]1CCS(=O)(=O)C1	918267969	WKQOEUCYNGLZLI-FQEVSTJZSA-N	402.560	3.867	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OCc1ccncc1	918633030	IUCQVLXSBDAHJU-UHFFFAOYSA-N	421.472	3.566	10	20	HHCD	
C[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccc(N2CCOCC2)cc1	920880213	CXQGFUWRUUMNQD-QGZVFWFLSA-N	424.932	3.912	10	20	HHCD	
O=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccc(N2CCOCC2)cc1	54284136	DCLHCJGHDSZZFZ-UHFFFAOYSA-N	405.498	3.817	10	20	HHCD	
COc1ccc(N(C)CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1OC	63617525	AEEMGLIFUIXMOW-CYBMUJFWSA-N	412.408	3.916	10	20	HHCD	
CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OC	107841218	XJDMAKGYXMSBMP-FOWTUZBSSA-N	409.529	3.940	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)c4ccccc4CS3(=O)=O)c2C)c1	302991691	GAQRZDGBJBRTCG-UHFFFAOYSA-N	422.506	3.571	10	20	HHCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	303028901	SXDCFQMDUIUICX-UHFFFAOYSA-N	418.541	3.628	10	20	HHCD	
Cc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2O)n(Cc2ccccc2)c1C	303349267	GXHKUZSYZYWNLJ-UHFFFAOYSA-N	402.498	3.801	10	20	HHCD	
CSc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	303825009	KPEOSYOQZKYPGN-KRWDZBQOSA-N	400.544	3.671	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1	437009779	LTZOZGLXFYODEM-UHFFFAOYSA-N	414.527	3.508	10	20	HHCD	
CCc1ccc(C(=O)N2CCC(C(=O)NCc3c(C)c4ccccc4n3C)CC2)o1	471226837	LFTLRVPPSMURGY-UHFFFAOYSA-N	407.514	3.811	10	20	HHCD	
Cc1c(CNC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)n(C)c2ccccc12	471250219	CFMOWLGENUGBAN-UHFFFAOYSA-N	422.554	3.997	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H](C)c2ccccc2OC(F)F)n(C)c2ccccc12	556044898	ZVXBTVYIZNHGRF-CQSZACIVSA-N	415.440	3.582	10	20	HHCD	
CCCN(C(=O)C(=O)NCc1c(C)c2ccccc2n1C)[C@@H]1CCCc2cccnc21	571595023	XXXMZSPSVTYQRW-OAQYLSRUSA-N	418.541	3.814	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)C2=Cc3ccccc3CC2)cc1	727359019	JFXGWUWHJKBVQN-UHFFFAOYSA-N	408.527	3.726	10	20	HHCD	
CN(C)c1ccc(CN(Cn2ncc(Cl)c(Cl)c2=O)CC(F)(F)F)cc1	728904374	OHWCJSZPAITKFJ-UHFFFAOYSA-N	409.239	3.638	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnnn2C2CCOCC2)c1C	729936850	JANMIUCHCDDGAH-UHFFFAOYSA-N	411.531	3.716	10	20	HHCD	
COc1ccccc1-c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1	732292957	VYMAMBWDSFSACE-UHFFFAOYSA-N	412.467	3.692	10	20	HHCD	
Cc1cc(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c(C)n1-c1ccc(F)cc1	733986853	WNTOKQGXQKNZFP-UHFFFAOYSA-N	415.406	3.891	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(NC(=O)c2ccncc2)c1	734519889	BBVHGSPRGUKEQN-UHFFFAOYSA-N	417.513	3.708	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)cc1	734865080	MLUXWSOVEMFXGU-PXNSSMCTSA-N	401.457	3.751	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3ccccc3OCCn3ccnc3)ccc21	740454210	QGYDLZFAFBUZQJ-UHFFFAOYSA-N	405.502	3.666	10	20	HHCD	
CN(c1ccc(CNC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1)C1CCCCC1	740909975	MTWADYDLFBLQSV-WIYYLYMNSA-N	421.607	3.611	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1	741429894	AZVZBGBHXOJXRQ-HYBUGGRVSA-N	424.589	3.574	10	20	HHCD	
Cc1ccc(F)cc1S(=O)(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742334452	MLYOBVSETYZXDW-HNNXBMFYSA-N	414.449	3.683	10	20	HHCD	
Cc1cnc([C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C2CC2)s1	743565412	WHEMXEZDGZYFCJ-DNVCBOLYSA-N	400.548	3.800	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)n1	743705795	WEVSXYMPYRNRHR-OAHLLOKOSA-N	409.490	3.680	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc(C(C)(C)C)no1	745916780	BPANFESZPQHPQM-GOEBONIOSA-N	402.495	3.525	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc(N(C)C)c(F)c1	746803409	XLLRQKDCRDAGJH-LLVKDONJSA-N	413.262	3.877	10	20	HHCD	
CCN(C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1)CC(F)(F)F	747934607	NUKVGVBFBYQJFU-KRWDZBQOSA-N	408.468	3.835	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC[C@H]1C[C@H]3CC[C@H]1C3)c2[N+](=O)[O-]	751160103	VUSVSPJDWJQZJJ-MELADBBJSA-N	404.422	3.536	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)CC2)cc1F	753859945	CEBNWRYVKDRCLI-AWEZNQCLSA-N	421.900	3.646	10	20	HHCD	
CC(=O)Nc1ccc2c(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cc(=O)oc2c1	756336748	PMICPGIIMJOHOC-FQEVSTJZSA-N	422.481	3.638	10	20	HHCD	
CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1	760318808	SUJSZYUZYCUCLW-UHFFFAOYSA-N	422.572	3.661	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)c(C)n1-c1cccc(C(C)C)c1	760795006	QNQMDUGCJHHGBT-QGZVFWFLSA-N	402.560	3.867	10	20	HHCD	
C[C@H](NCCc1ccn(C)n1)c1cc(Br)cc(Br)c1O	760897135	PEDVHLUPDBEOJE-VIFPVBQESA-N	403.118	3.544	10	20	HHCD	
C[C@H]1CN(CCCCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C[C@@H](C)O1	765404322	CJEFKQANUOOMLT-CEXWTWQISA-N	410.002	3.717	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)cc([N+](=O)[O-])c1N	769296414	HNUKNUSCIJWLON-UHFFFAOYSA-N	408.252	3.616	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(Cc3cc(Br)ccc3O)CC2)c(C)o1	769319188	UTGQLZRYKANLDE-UHFFFAOYSA-N	407.308	3.759	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccccc1I	771346673	XYJGUBKCLRLUOQ-UHFFFAOYSA-N	422.310	3.948	10	20	HHCD	
CN(c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cn2)cc1)C1CCCCC1	773058657	NQFOCFZFLDWLGZ-UHFFFAOYSA-N	400.910	3.759	10	20	HHCD	
C[C@@H](NCCCCN1CCN(c2ncccn2)CC1)c1cc(Cl)c(Cl)cc1O	774170126	QGRHCHGVFJDDCO-OAHLLOKOSA-N	424.376	3.742	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c1O	774881864	YHHCPFQBCLSEOA-QHCPKHFHSA-N	411.502	3.797	10	20	HHCD	
C[C@@H](NC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)c1ccc(N(C)C)cc1	776244145	FJMZYEXXKJJQBO-BEFAXECRSA-N	413.497	3.558	10	20	HHCD	
C[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(N2CCOCC2)cc1Cl	777090531	MWXHDHWSDZPUJK-AWEZNQCLSA-N	401.894	3.705	10	20	HHCD	
CC(C)(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)CS(C)(=O)=O	778556098	PSLPKBARMLYRHE-QGZVFWFLSA-N	408.589	3.892	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3F)c2)CC1	781045780	PEWPOGXHDUFBLM-UHFFFAOYSA-N	409.383	3.765	10	20	HHCD	
CC(C)[C@H](CC(F)(F)F)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	782651750	BGMAEBPYJOVXIS-KRWDZBQOSA-N	418.415	3.967	10	20	HHCD	
Cc1ccc([C@@H](CCn2cncn2)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	783221095	GINJAXJEBDEHAI-RUZDIDTESA-N	419.573	3.716	10	20	HHCD	
CCOC(=O)CCN(C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1	783930091	HEIFPIULSQRPHP-UHFFFAOYSA-N	408.458	3.985	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C	784023387	CJNBFWRCOHTNAV-UHFFFAOYSA-N	422.485	3.690	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc4ccn(C)c34)cc2)CC1	788328039	FWALRBZLQCMCCL-UHFFFAOYSA-N	404.514	3.670	10	20	HHCD	
O=C1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21	789627439	VNZNMMBZGPGTKN-SFHVURJKSA-N	418.415	3.528	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)cn1	790107024	ALSXYCRGHDSDCY-GDNBJRDFSA-N	405.570	3.627	10	20	HHCD	
CC(C)(CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)CN1CCCC1	790284199	ONFMQYNMCLYJAH-UHFFFAOYSA-N	424.536	3.678	10	20	HHCD	
C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1c(O)ccc(Cl)c1F	792180303	PTANVJVLRIJNTM-CYBMUJFWSA-N	412.914	3.918	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C2CC2)cnc1Cl	793772789	NVUVOZXUFMHDEU-UHFFFAOYSA-N	409.269	3.787	10	20	HHCD	
CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1	795548936	PMXHEGISCQIHEP-UHFFFAOYSA-N	412.489	3.988	10	20	HHCD	
CCc1occc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	797731795	IVPRGWKSOKIGEN-GOSISDBHSA-N	401.507	3.904	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCC1(N2CCOCC2)CCCCC1	801962105	BDOWKSCKQPJUMA-UHFFFAOYSA-N	403.567	3.739	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCOC2)cc1	802762929	ORKFFQAOCOXRAG-FQEVSTJZSA-N	420.561	3.859	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1ccc(F)cc1	804694747	UVGQLJDAPHLQEX-UHFFFAOYSA-N	400.494	3.754	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC[C@](O)(C(F)(F)F)CC3)cc2)CC1	806765849	GYWJGTGWXRDPTO-HXUWFJFHSA-N	413.484	3.912	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F	806913188	RPKMKULEYNAZHI-UHFFFAOYSA-N	423.822	3.990	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(N(C)C)cc1	807678814	JYKALJXXQMGKJZ-IBGZPJMESA-N	422.573	3.579	10	20	HHCD	
Cc1cc(Br)c(O)c(CNc2ccc(F)c(N3C(=O)CCC3=O)c2)c1	809721582	UZNIRVZNQWFQPM-UHFFFAOYSA-N	407.239	3.868	10	20	HHCD	
Oc1c(CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)ccc2ccccc12	816489140	MYSBJMMSPSWEED-UHFFFAOYSA-N	400.482	3.913	10	20	HHCD	
O=C(COc1ccccc1CNCc1ccc2ccccc2c1O)NC[C@H]1CCCO1	816537317	ZWBXYGCOFSPTFS-OAQYLSRUSA-N	420.509	3.509	10	20	HHCD	
COCCOc1ccc(CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)nn1	820125361	RHTYTKXUUIQIDW-UHFFFAOYSA-N	422.529	3.963	10	20	HHCD	
CCN(CC)Cc1ccccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	913638552	XXIWMHNOTUFFCF-UHFFFAOYSA-N	424.589	3.707	10	20	HHCD	
COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)sc2c1CCCC2	914720501	HBWSPPNAVASKRT-ZDUSSCGKSA-N	404.532	3.533	10	20	HHCD	
COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(OC)c(F)c3)n2)c1	915185147	UGXTZHXKIIPIKF-UHFFFAOYSA-N	424.475	3.776	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	917712687	QIBHAPDRVLCTIB-CHWSQXEVSA-N	421.856	3.931	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C	917758286	NOZGVWVRNLNAGI-UHFFFAOYSA-N	422.450	3.576	10	20	HHCD	
CCN(CCCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccccc1	918006705	LIVAATVXQVWPFP-UHFFFAOYSA-N	410.562	3.834	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(-c2nccs2)cc1	918303848	LJFRKSBNBVQXIK-UHFFFAOYSA-N	408.527	3.863	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCC(C)(C)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1	919787972	BSBKHHWARUHVPI-WOJBJXKFSA-N	416.610	3.673	10	20	HHCD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	919969504	OCCOIEFESINIBL-OAHLLOKOSA-N	420.912	3.832	10	20	HHCD	
COc1ccc(-c2noc(CCCC(=O)Nc3c(Cl)ccc4nonc34)n2)cc1	1322263170	DAKZJOUATNUMJS-UHFFFAOYSA-N	413.821	3.896	10	20	HHCD	
CCOc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3OC(F)F)CC2)cc1	1341189159	WSSQCYDYDAPMOH-INIZCTEOSA-N	419.472	3.836	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc2ccccc2c(=O)n1C1CC1	7371733	OASCJHJGYJUYBX-UHFFFAOYSA-N	422.554	3.548	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1-c1cccc(C(F)(F)F)c1	10072679	YSDQRVQMMOHXGR-UHFFFAOYSA-N	418.375	3.525	10	20	HHCD	
Cc1cc(C(=O)O)cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C	13313360	XOMWECBVXBSMFT-UHFFFAOYSA-N	416.543	3.813	10	20	HHCD	
CC(C)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	140124475	ZQAIFHFYJSVFNM-SFHVURJKSA-N	418.559	3.598	10	20	HHCD	
COCc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc(C(C)(C)C)n1	301659089	WNYVVXHZSJBWKM-UHFFFAOYSA-N	402.514	3.633	10	20	HHCD	
O=C(NC1CCN(C(=O)c2ccoc2)CC1)N(Cc1ccco1)Cc1ccccc1O	726090637	VYMPYXMSCFQWDL-UHFFFAOYSA-N	423.469	3.595	10	20	HHCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(N2CCOCC2)c(F)c1	727264890	ZGYIMXUUTZCPKH-WJDWOHSUSA-N	411.502	3.995	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)/C=C(\C)c3ccccc3OC)cc2F)CC1	730194417	HNUMMELWOGEGDB-OBGWFSINSA-N	411.521	3.696	10	20	HHCD	
CC(C)OC1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	730673306	WOVIDHCKHHLQLC-UHFFFAOYSA-N	411.493	3.856	10	20	HHCD	
COC(=O)c1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c(OC(F)F)c1	732439557	WYYQTICYJXLLPF-UHFFFAOYSA-N	419.428	3.779	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1NC(=O)C(C)(C)C	732478183	CSPURUXNFIBNKU-UHFFFAOYSA-N	424.545	3.643	10	20	HHCD	
CCCC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)C(=O)Nc1cc(C)on1	732919598	MXXOAGYXLGALNN-HXUWFJFHSA-N	400.523	3.748	10	20	HHCD	
CCCNC(=O)c1ccc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nc1	732921346	UOEMJPQJLDRWNW-HOTGVXAUSA-N	400.498	3.586	10	20	HHCD	
Cc1ccc(Oc2ccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)nc1	733661831	QPIUBDJUYQGRER-UHFFFAOYSA-N	418.497	3.845	10	20	HHCD	
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCCSc1nccs1	733974441	RYLWGDLLRZQOFF-SNVBAGLBSA-N	418.371	3.867	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1	734014837	FNMFUNUWHOCGLH-UHFFFAOYSA-N	424.457	3.779	10	20	HHCD	
Cc1ccccc1C[C@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	734167687	ZRABFYGZVAUGLG-OAQYLSRUSA-N	411.521	3.887	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC3(c4cccc(F)c4)CC3)cc2F)CC1	740479341	YZYIBMNBJFRJHC-UHFFFAOYSA-N	414.500	3.595	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1	741176906	ZWZICFJSFFSEQF-OAQYLSRUSA-N	416.610	3.959	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1	742619521	SVMBJMIRZNDRPW-LJQANCHMSA-N	417.550	3.570	10	20	HHCD	
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1	743045972	IOYPGAVSLUJBCC-UHFFFAOYSA-N	423.466	3.872	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@H]1c1ccc(Cl)cc1	743552968	BOALXNSXLNQLLP-IBGZPJMESA-N	403.885	3.972	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN(c2ncnc3sccc23)C1	743716976	DTITVMDRCJZTCE-INIZCTEOSA-N	422.554	3.809	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cc1sc(S)nc1C	743807152	AQMMGMNPHWXXPZ-UHFFFAOYSA-N	401.351	3.800	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)N(CC)Cc2cc(Br)ccc2O)nc1C	743807235	FFXPDOVZCUMYRL-UHFFFAOYSA-N	421.291	3.697	10	20	HHCD	
CCN(CCC(=O)Nc1ccc2c(c1)OCO2)Cc1cc(Br)ccc1O	743870835	CVDFVAUZOMEHEX-UHFFFAOYSA-N	421.291	3.734	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccccc1N1CCCCCC1	743958363	TUABDBSUZHGDKZ-UHFFFAOYSA-N	421.541	3.906	10	20	HHCD	
Cc1noc(C(F)F)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	746313529	LXNMGOBCCDIDBE-NSHDSACASA-N	401.360	3.921	10	20	HHCD	
COCCn1ncc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc21	746770536	CIJFVJCYOJIQRQ-FQEVSTJZSA-N	424.501	3.601	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)C1	747210075	AXLIXEAOTZHCIJ-AWEZNQCLSA-N	422.407	3.927	10	20	HHCD	
O=C(NCc1ccccc1Cl)c1cc(NS(=O)(=O)c2cccs2)ccc1O	748014050	UAVKABBJKAPYGG-UHFFFAOYSA-N	422.915	3.838	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1Cl	748054360	WEVCXJMLBXFUJU-UHFFFAOYSA-N	421.950	3.718	10	20	HHCD	
Cc1oc(-c2cnn(C)c2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	752287263	IUFIPFZVWHSHRR-UHFFFAOYSA-N	419.485	3.885	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(-c4ccc[nH]4)cc3)cc2)C1	752788858	GXYWWFNZIKATNL-IBGZPJMESA-N	417.513	3.705	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1	752951488	UKGDBSGYYPFFCT-FNORWQNLSA-N	419.359	3.582	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1	753636257	LKSYHVVNFCVIFL-LBPRGKRZSA-N	412.877	3.570	10	20	HHCD	
C[C@@H]1C[C@H](NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2c(O)ccc(F)c21	756732163	HLGUCJGSZUPNFD-BEFAXECRSA-N	418.534	3.664	10	20	HHCD	
CO[C@@](C)(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1F	758092968	LLWKBFWFOOCIRW-VBURHUQHSA-N	418.484	3.756	10	20	HHCD	
CCc1ccccc1NC(=S)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	758918637	ORRHZQBKZMNDPW-UHFFFAOYSA-N	415.559	3.794	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc(OC)c1OC	759222099	GRKPFZFVFCTGNB-UHFFFAOYSA-N	406.482	3.828	10	20	HHCD	
Cc1ccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c(O)c1O	760118427	PXXRSXGQZIQVPS-UHFFFAOYSA-N	406.276	3.852	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cccc([N+](=O)[O-])c1Br	760837260	BZQUBZDLQMBINS-UHFFFAOYSA-N	405.248	3.872	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1F	762745298	IWVRFAAFNIMUBD-SXLOBPIMSA-N	421.557	3.786	10	20	HHCD	
CCc1ncc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)s1	763495026	PIFTVFDQNYCCAU-UHFFFAOYSA-N	410.502	3.846	10	20	HHCD	
Cc1cc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)ccc1O	764872207	POTDICCUFXGZKK-UHFFFAOYSA-N	404.469	3.521	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)cn2)n1	765070073	HPZNSFZXBNDIMX-SFHVURJKSA-N	409.509	3.711	10	20	HHCD	
O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2cccc3nonc23)cc1	765197657	SMZOCGPEFILTKH-UHFFFAOYSA-N	410.411	3.527	10	20	HHCD	
CNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)c1	765266523	NLMVQJWYWXTJOA-INIZCTEOSA-N	405.539	3.575	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)/C=C/c3ccc4[nH]ccc4c3)CC2)cc1	765546765	FUDPYYIKPQMBFB-ONNFQVAWSA-N	418.541	3.518	10	20	HHCD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	765976721	SRLUQYYWCBCJJE-SJLPKXTDSA-N	418.335	3.501	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1	768274577	GERAHBFWZNEVOT-UKRRQHHQSA-N	408.420	3.871	10	20	HHCD	
COC[C@@H]1CCCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1	768384674	PBUBDGHPOJIODX-SJORKVTESA-N	411.493	3.715	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H]3CCOC4(CCCCC4)C3)CC2)cc1	769175981	QGKFXSPYOWPLRC-IBGZPJMESA-N	401.551	3.799	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c[nH]nc1-c1c(F)cccc1F	769379471	ABXCHSAZLNRKEW-UHFFFAOYSA-N	421.831	3.889	10	20	HHCD	
Brc1ccc(CNCc2ccc3c(c2)CCO3)c(N2CCOCC2)c1	769928175	NDCJXBWZJKZZGO-UHFFFAOYSA-N	403.320	3.510	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Nc3cnn(C(C)(C)C)c3)cc2F)C[C@@H](C)O1	772369496	SRQSRSIXYDAJQH-GASCZTMLSA-N	403.502	3.713	10	20	HHCD	
CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	772996823	SQYJESBICZMBPG-HRAATJIYSA-N	414.525	3.737	10	20	HHCD	
COc1ccc(NC(=O)c2cccc(O)c2O)cc1OCc1cn2ccccc2n1	776340565	GMJZFAWYUQNNLG-UHFFFAOYSA-N	405.410	3.585	10	20	HHCD	
CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	776885275	VMARDJSBHCRHJQ-JKSUJKDBSA-N	401.482	3.809	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(CS(C)(=O)=O)o1	777823587	VBCSRCFPIUCNLW-INIZCTEOSA-N	413.495	3.933	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)c1C	779242651	GIORYCWHVFJSAO-INIZCTEOSA-N	407.436	3.543	10	20	HHCD	
CCN(CC)C(=O)Cn1ccc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc21	779511286	SVJXZQYVPPNXGS-UXBLZVDNSA-N	407.470	3.573	10	20	HHCD	
CCOCCOc1ccc(Br)cc1NC(=O)/C=C/c1ccc(O)c(O)c1	779547092	RGZCHUYHBKVAPD-XBXARRHUSA-N	422.275	3.928	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@@H](c1c(F)cccc1F)C(F)(F)F	780421105	CENHQKJAXAYKJS-IBGZPJMESA-N	415.406	3.882	10	20	HHCD	
COc1cc(Br)cc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1O	780575865	GGSBVRQWYFNJDX-NHYWBVRUSA-N	412.246	3.737	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)CCCC(N)=O	787029460	XGZBYLTXCRNHJP-QGZVFWFLSA-N	407.436	3.954	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc2c(s1)CCCCCC2	789370830	VLBNQGMNTKZIMS-UHFFFAOYSA-N	414.575	3.855	10	20	HHCD	
COc1ccc(C(=O)N2CCC(NCc3c(O)ccc(Cl)c3F)CC2)cc1OC	790968049	HMNZLLNKDXVVKB-UHFFFAOYSA-N	422.884	3.596	10	20	HHCD	
CCCCNS(=O)(=O)c1cccc(NCc2cc(Br)ccc2O)c1	796402474	PEFOGRDIBSQOOF-UHFFFAOYSA-N	413.337	3.845	10	20	HHCD	
O=C(NCCCSc1nccs1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	796412959	CNYARRDLCXKZNW-INIZCTEOSA-N	411.543	3.899	10	20	HHCD	
Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	799248623	SNXGEVHPHSWLMS-ZDUSSCGKSA-N	400.866	3.998	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCC(=O)N1CCc2sccc2C1	801551325	LLNCAUBFTYGUGC-UHFFFAOYSA-N	400.544	3.948	10	20	HHCD	
Cc1cc(C(=O)OC[C@@]2(C)CNC(=O)C2)c(C)n1-c1ccccc1Br	802191923	PHUDIPSKVHWQIW-LJQANCHMSA-N	405.292	3.540	10	20	HHCD	
COCCNC(=O)c1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1	806626671	YZMZILKNVYHGPO-UHFFFAOYSA-N	424.545	3.717	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)cc(Br)n1	806797671	PYWLKTDZCDTSMW-UHFFFAOYSA-N	420.185	3.638	10	20	HHCD	
CC(C)(C)c1csc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n1	807513932	YZEUTSLSHJXHDL-UHFFFAOYSA-N	402.303	3.708	10	20	HHCD	
C[C@H]1[C@H](NC(=O)NCc2cccc(Br)c2O)CCN1Cc1ccccc1	807622421	SRICWNUZGOZKTH-KBXCAEBGSA-N	418.335	3.617	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2ccncc2)cc1	807678152	VJULUIDUVQQEGM-ROUUACIJSA-N	416.525	3.869	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1)c1ccc(N(C)C)cc1	808936111	PZDZDWZGWPRJAC-INIZCTEOSA-N	404.470	3.756	10	20	HHCD	
COc1ccc(N2CCN(Cc3cn4ccc(Br)cc4n3)CC2)cc1F	811467231	ILHCVYBTHFVTBG-UHFFFAOYSA-N	419.298	3.567	10	20	HHCD	
Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)c1	812378574	HTWABPXZNWMPIY-IBGZPJMESA-N	422.529	3.852	10	20	HHCD	
COC[C@@]1(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)OCCc2ccccc21	812476593	IHHNNUASKNTKDP-RUZDIDTESA-N	423.557	3.541	10	20	HHCD	
C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccc(N2CCOCC2)cc1	812494142	HBPLVXGKHVJBAF-GFCCVEGCSA-N	420.478	3.643	10	20	HHCD	
COc1ccc(Cl)cc1NC(=O)CCN(C)Cc1ccc(N2CCOCC2)cc1	813736311	WPSYXEHLJIEMLQ-UHFFFAOYSA-N	417.937	3.646	10	20	HHCD	
CCOCC(C)(C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	818026030	BCQMGOKPSIUVQU-KAMYIIQDSA-N	412.602	3.661	10	20	HHCD	
O=S(=O)(c1ccccc1)c1cccc(NCc2ccc(N3CCOCC3)cc2)c1	864018225	URTAATWUKJOJQI-UHFFFAOYSA-N	408.523	3.968	10	20	HHCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c(C)n1-c1ccccn1	914904672	BZADPOGPVWVJBF-LPHOPBHVSA-N	405.498	3.954	10	20	HHCD	
CCC(CC)[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N1CCCC1	916256588	DYCWYEMRNKMPPD-QHCPKHFHSA-N	416.610	3.565	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2F)C[C@@H](C)O1	917712684	QIBHAPDRVLCTIB-BETUJISGSA-N	421.856	3.931	10	20	HHCD	
Cc1ncc(CN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1	918219615	LWVNNBSBSWNHFS-ZIAGYGMSSA-N	406.527	3.546	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1N(C)C	918294777	WPWBBFFODSPFQC-UHFFFAOYSA-N	407.470	3.527	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3occc3-c3ccccc3)cc2)C1	918371147	FEYZBVVWQDOTSO-IBGZPJMESA-N	403.482	3.578	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1	918430210	UBGVPQWSAKGOBH-UHFFFAOYSA-N	406.486	3.751	10	20	HHCD	
CCOc1cccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1	919659040	FWRVKQXDCKFOCW-UHFFFAOYSA-N	405.498	3.790	10	20	HHCD	
CCOc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)CC2)cc1	1319847477	LAEJPPZYXGTBOW-HXUWFJFHSA-N	422.573	3.835	10	20	HHCD	
CN(Cc1c(F)cccc1Cl)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	96971039	PPBULQUPLJESNK-KRWDZBQOSA-N	420.912	3.824	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(C)n1-c1ccc(F)cc1	107684548	FRDSDGMYCNHBNB-QHCPKHFHSA-N	420.444	3.540	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)[C@H](C)S(C)(=O)=O)n2)c(C)n1-c1ccc(F)cc1	107762382	WORTWXLUAYKGDB-ZDUSSCGKSA-N	421.519	3.728	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F	195567816	AWXOOWSZSFWEIL-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1	302685105	XZEMDWPHFGKILJ-UHFFFAOYSA-N	415.446	3.912	10	20	HHCD	
O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cc(O)ccc1[N+](=O)[O-]	448114605	VUEXHOGFWNFPLL-YFHOEESVSA-N	403.316	3.973	10	20	HHCD	
Cc1c(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n(C)c2ccccc12	471235645	HDEGQRRWEPECKB-UHFFFAOYSA-N	404.919	3.620	10	20	HHCD	
O=C(CNC(=O)N(Cc1ccco1)Cc1ccccc1O)Nc1ccc(F)c(F)c1	726083576	GKMKUBRQGKONTO-UHFFFAOYSA-N	415.396	3.614	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3cc(C)n(C[C@H]4CCCO4)c3C)SC2=S)cn1	726197565	UUNWWNXHMUTJOM-BDLODKHMSA-N	416.572	3.906	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)CCOc3ccc(F)cc3)CC2)cc1	726716518	LLJAQZHAWJSQDO-UHFFFAOYSA-N	401.482	3.524	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)ccc1[N+](=O)[O-]	728835802	LTFITKJYIYQZIT-UHFFFAOYSA-N	418.453	3.647	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccccc3OCCN(C)C)cc2)CC1	731115440	BVIAYLMWQMHTGR-UHFFFAOYSA-N	424.589	3.863	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(-n2cccc2)c1	731540685	QNBFIZADVGLFEW-UHFFFAOYSA-N	408.477	3.899	10	20	HHCD	
O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	731856413	NUQVIXNGBAZITB-SFHVURJKSA-N	411.458	3.696	10	20	HHCD	
CC[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C[C@H](C)O1	732149920	RHWLMSFTFGHMRL-ORDDCKFQSA-N	424.613	3.755	10	20	HHCD	
C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1	733100467	JZDDWNSYPKKHNJ-LSDHHAIUSA-N	406.885	3.960	10	20	HHCD	
C[C@@H]1CC[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)[C@H](C)C1	733115067	SUOXKPMOQBBGMT-SNUQEOBHSA-N	406.438	3.925	10	20	HHCD	
CCOc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1OC	734069835	SLRGJDCJIHDTMY-IBGZPJMESA-N	414.502	3.690	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1	734703289	LQWQHTCDHDSELO-UHFFFAOYSA-N	404.470	3.503	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCCOc1cccc(S(C)(=O)=O)c1	738621615	GCYKFHHOQAKCQF-UHFFFAOYSA-N	419.524	3.795	10	20	HHCD	
CC(C)c1nn(C)c2sc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc12	742557168	QRKSORZUHKOMSC-UHFFFAOYSA-N	416.522	3.664	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CC(c2ccccc2)=NO1	742801790	SMLAYLQMYHCTHI-JXFKEZNVSA-N	415.440	3.566	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](OC1CCOCC1)c1ccccc1	746747257	GEFUYFFUVGVUQL-NBGIEHNGSA-N	410.558	3.938	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSc3ccccc3O)cc2F)C[C@@H](C)O1	747808618	INHBSGOKKLVNLQ-GASCZTMLSA-N	404.507	3.553	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c(F)cccc1Br	749392570	DJLKQEMOQXJNQN-UHFFFAOYSA-N	421.310	3.727	10	20	HHCD	
CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	750069403	JQSMHPIYQASAQR-INIZCTEOSA-N	400.494	3.894	10	20	HHCD	
Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	752221413	BBEUHLNKTFHCEC-XJKSGUPXSA-N	422.476	3.965	10	20	HHCD	
CCOC(=O)c1sc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1C	753885116	HTUKGARDNAOIIA-UHFFFAOYSA-N	421.494	3.735	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](c3ccccc3)c3ccccn3)CC2)cc1F	753932719	MGMRCKMQBKVXSF-HSZRJFAPSA-N	420.488	3.851	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)OC)oc3C)n2)cc1	754695541	ZEJVACHQZUCBDX-UHFFFAOYSA-N	422.484	3.698	10	20	HHCD	
C[C@H](NC[C@H](C1CC1)N(C)C)c1cc(Br)cc(Br)c1O	756432946	LRFPGSMQFRUVFJ-LKFCYVNXSA-N	406.162	3.908	10	20	HHCD	
O=[N+]([O-])c1cc(CNc2nnc(-c3ccc4c(c3)OCO4)o2)ccc1N1CCCCC1	758456273	QASRJKZZEKEAOD-UHFFFAOYSA-N	423.429	3.976	10	20	HHCD	
COc1cc(Br)cc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O	758527182	HDUWNMQNSVLXAH-APWZRJJASA-N	410.283	3.558	10	20	HHCD	
COC(=O)c1sc2cccc(F)c2c1COC(=O)/C=C/c1ccc(O)c(O)c1	759588210	JNHBNWDIOPLILN-SOFGYWHQSA-N	402.399	3.995	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1	761982444	LJAZAVKIQFGGSE-AWEZNQCLSA-N	422.481	3.821	10	20	HHCD	
Cc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1NC(=O)c1ccccc1F	762268667	PZMDGROBHVPNST-UHFFFAOYSA-N	408.429	3.770	10	20	HHCD	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCCc3ccc(O)c(O)c3)c12	762274587	JBFLOCLSCQAQBA-UHFFFAOYSA-N	407.426	3.990	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)CNc3ccccc3)cc2F)C[C@H](C)O1	762652948	AAWBLCLVUPMBAB-SQNIBIBYSA-N	414.525	3.739	10	20	HHCD	
COc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ncc1Br	762739025	WCGHJBXWTCYQPK-UHFFFAOYSA-N	401.264	3.908	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1	763278486	BZJVQWIIYOLALS-AWEZNQCLSA-N	404.466	3.961	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H](C)c3ccc(OC)c(F)c3)CC2)cc1	764675792	KHRUZPDGIPOITD-GOSISDBHSA-N	401.526	3.706	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4ccco4)s3)cc2)C1	764968439	HZQXJIBDWPRZSD-MRXNPFEDSA-N	409.511	3.640	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1	765230038	NWJGYKKJUXBWKA-WMZHIEFXSA-N	424.614	3.560	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)cc1F	765736141	UVDHQOFVKFKYCZ-UHFFFAOYSA-N	407.530	3.935	10	20	HHCD	
CC(=O)Nc1ccccc1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	766603723	HPHFVACEKSMBJE-UHFFFAOYSA-N	407.436	3.845	10	20	HHCD	
Cc1cc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c(C)n1-c1ccc(F)cc1	769313803	IRIWHCQLJOZTTI-DHIUTWEWSA-N	413.537	3.731	10	20	HHCD	
Fc1cc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)ccc1N1CCOCC1	769332197	KQNVNQSMXQPAKB-OAQYLSRUSA-N	422.447	3.837	10	20	HHCD	
COC(=O)c1cccc(NC2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)c1	770394385	BMVPWTHHACLKSO-UHFFFAOYSA-N	424.545	3.634	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c(C)n1-c1cccc(Cl)c1	771655515	APNCBJOTINXYJD-MRXNPFEDSA-N	402.970	3.503	10	20	HHCD	
C[C@H]1CN(c2ccc(CNc3ccc4nnc(C(C)(C)C)n4n3)cc2F)C[C@H](C)O1	772648882	GKDWRRVJVNXCQP-GJZGRUSLSA-N	412.513	3.787	10	20	HHCD	
C[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(Cl)c(Cl)cc1O	774112832	UDJGOSMYNHDNKS-NSHDSACASA-N	400.306	3.604	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](n3cncn3)C2)c(C)n1-c1ccc(Br)cc1	777217293	KHEUCGHHTDPAPT-KRWDZBQOSA-N	414.307	3.535	10	20	HHCD	
C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779490062	WNOCTKMYURMDDE-VIHMKRCTSA-N	409.511	3.626	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCN1C(=O)OC(C)(C)C	780899582	BWSQSAAEHZNPQR-CQSZACIVSA-N	413.312	3.513	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)cc4cccnc34)c2)CC1	781045703	OIFRZIOEWKAWSO-UHFFFAOYSA-N	408.889	3.809	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CCO)c2ccccc2Br)c1O	781638052	DHFSOFKKHCLKDL-CQSZACIVSA-N	415.671	3.930	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCCc3ccc(O)c(F)c3)cc2F)C[C@H](C)O1	786795398	KKGUEYXENJEOIZ-HOTGVXAUSA-N	418.484	3.923	10	20	HHCD	
Cc1ccc([C@H](C)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c(O)c1C	788615250	XIGMAZFSCWFFBJ-ICSRJNTNSA-N	414.521	3.516	10	20	HHCD	
C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1c1cccc(F)c1	788911575	PKULQYLNXXWODQ-HTAPYJJXSA-N	409.505	3.652	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(O[C@H]2CCOC2)cc1	789982639	OHKDPIPRNORMKW-SFHVURJKSA-N	420.303	3.985	10	20	HHCD	
C[C@@H]1CN(C(=O)c2ccc(CNCc3c(O)ccc(Cl)c3F)cc2)C[C@@H](C)O1	790955160	BTEQTQMTYLCIFC-ZIAGYGMSSA-N	406.885	3.724	10	20	HHCD	
CN(C)c1ccc(CNc2cccc(N3CCCS3(=O)=O)c2)c(C(F)(F)F)c1	792847110	FQYWWAQXQWDXRW-UHFFFAOYSA-N	413.465	3.923	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(C(F)(F)F)c1	792996925	JCXYPXGLUDIALQ-SIKLNZKXSA-N	421.507	3.744	10	20	HHCD	
CCn1ncc2c(C(=O)NCc3ccc(OC)cc3O)cc(-c3ccccc3)nc21	794379881	YYJHJUZPJYRZKT-UHFFFAOYSA-N	402.454	3.762	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2ccnn2-c2ccc(F)cc2)SC1=S	794861301	GKYYCGJHZFYINC-BOPFTXTBSA-N	418.563	3.800	10	20	HHCD	
COc1ccc(N2CCN(C(=O)C(C)(C)Cc3nc4ccccc4[nH]3)CC2)cc1F	798974588	MHYASTHWPPAWPF-UHFFFAOYSA-N	410.493	3.628	10	20	HHCD	
C[C@@](O)(CCc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	801148283	WGSINDICZKXERO-HSZRJFAPSA-N	418.484	3.757	10	20	HHCD	
CC[C@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC)CCO1	802507490	IEMHIAYEAZYWHM-FQEVSTJZSA-N	409.534	3.614	10	20	HHCD	
O=C(NC[C@H]1CCOc2ccccc21)C(=O)N(Cc1ccccc1O)C1CCCCC1	804082061	LFERARROZMPCQC-GOSISDBHSA-N	422.525	3.736	10	20	HHCD	
CCOC(=O)c1nc(N(Cc2ccccc2O)C[C@H]2CCCO2)cc(C(C)(C)C)n1	804578114	LBWNSKIXZJYXRL-QGZVFWFLSA-N	413.518	3.842	10	20	HHCD	
O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)NCc1cc(Cl)cc(Cl)c1O	807838369	PVRFWHQBEZJWKH-UHFFFAOYSA-N	421.280	3.863	10	20	HHCD	
COc1cc(Cl)cc(CNc2cccc(S(=O)(=O)NCc3ccco3)c2)c1O	809652058	QKWSLWNSYPDLHH-UHFFFAOYSA-N	422.890	3.738	10	20	HHCD	
CC(C)OCc1cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1O	811704487	CSUNXMTXACMTDT-UHFFFAOYSA-N	411.348	3.814	10	20	HHCD	
COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCSC[C@@H]1C	812133706	AQPRBWSVRFMYFZ-KRWDZBQOSA-N	411.575	3.941	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1cccc(C2CCC2)c1)c1ccc(N2CCOCC2)cc1	812961392	XRZHJTPTXUGPLM-QGZVFWFLSA-N	407.514	3.607	10	20	HHCD	
Cc1nn(C(C)C)c(C)c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	814679704	LPXUUUJEMCWZPF-JOCHJYFZSA-N	412.578	3.897	10	20	HHCD	
CNC(=O)COc1cccc(CN[C@H](CCc2ccccc2)c2ccccc2O)c1	815561612	KNTOBNQNXTZJBN-HSZRJFAPSA-N	404.510	3.981	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(Cn3cncn3)cc2)cc1	838653962	BCPQMKLZNKSGKE-UHFFFAOYSA-N	406.534	3.514	10	20	HHCD	
N=C(NCc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1	849090697	HQJKXVZIMGKGBM-UHFFFAOYSA-N	424.442	3.620	10	20	HHCD	
CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	857464904	VLCYUXBAKWGYDM-SFHVURJKSA-N	406.885	3.994	10	20	HHCD	
Cc1sc(C(=O)O)cc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	871792431	AMTXTHRDSSZJDU-UHFFFAOYSA-N	408.545	3.566	10	20	HHCD	
CN(CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccc(N2CCCCC2)cc1	917019286	AHTOTUMLFOUDQS-HSZRJFAPSA-N	420.601	3.751	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCC3(N(C)C)CCCCC3)cc2F)C[C@@H](C)O1	918174964	BXXYXVAFOQWHLF-QZTJIDSGSA-N	420.573	3.503	10	20	HHCD	
COc1ccc2oc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c(C)c2c1	919969205	QGJMLOVDPLDKNK-UHFFFAOYSA-N	408.498	3.889	10	20	HHCD	
Cc1ncncc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	1318016253	RZYZNGAWGYFGJR-UHFFFAOYSA-N	415.396	3.834	10	20	HHCD	
O=C(NCCNCc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1	1338750895	GOHLUNVPLGVNRP-UHFFFAOYSA-N	402.336	3.569	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)s2)cc1	1353172340	YOGFVDKYXKXRGU-UHFFFAOYSA-N	420.581	3.657	10	20	HHCD	
O=C1/C(=C/c2cc(Br)c3c(c2)OCO3)SC(=S)N1c1cccnc1	23215585	GLIGZRGNKTZCJE-MLPAPPSSSA-N	421.297	3.979	10	20	HHCD	
COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65434299	PWXLYZSTKCFUSM-HZPDHXFCSA-N	401.482	3.792	10	20	HHCD	
CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	65455495	LJNDJRAVEVYOIE-INIZCTEOSA-N	412.490	3.974	10	20	HHCD	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)NCc2ccc(N3CCSCC3)cc2)C1	108011236	GYLGZPRCLXUCKW-WOJBJXKFSA-N	418.651	3.797	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)c1nc(-c2ccccn2)nc2c1CCC2	301849000	CVSOOHNJRKESEI-SFHVURJKSA-N	402.498	3.919	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCCn4nc(C(C)C)nc43)ccc21	446560215	NQIPDIPYERRLKU-LJQANCHMSA-N	409.534	3.884	10	20	HHCD	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1c(C)c2ccccc2n1C	467972212	XMKUBMBCMOUJEC-UHFFFAOYSA-N	408.502	3.909	10	20	HHCD	
COCCc1noc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n1	728792723	WVLJEQNDZBVWAU-MRXNPFEDSA-N	400.504	3.593	10	20	HHCD	
COc1ccc(-c2nc(C)c(C(=O)NCc3cccc(OC)c3O)s2)cc1OC	729859882	YURUVTGPLGNMBD-UHFFFAOYSA-N	414.483	3.780	10	20	HHCD	
CCCCCCn1nc(C(=O)NCc2cccc(OC)c2O)c2ccccc2c1=O	729861077	BCKWFYDQGNDKLH-UHFFFAOYSA-N	409.486	3.621	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3[nH]c(-c4ccccc4)nc3C)cc2F)CC1	730235619	IUWNCTZSDIDISV-UHFFFAOYSA-N	421.520	3.596	10	20	HHCD	
COc1cc(C(C)=O)ccc1OC[C@@H](O)CN(Cc1ccccc1O)C1CCCC1	731847701	MNDMBEXHFUTULN-NRFANRHFSA-N	413.514	3.788	10	20	HHCD	
CCOc1cc2[nH]ccc(=NCc3ccc(N4CCOCC4)cc3)c2cc1OCC	732803738	NQKOFVBAQTYPLI-UHFFFAOYSA-N	407.514	3.903	10	20	HHCD	
CC(C)n1cc([C@@H](C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	732822571	FZCFWDAOISNFEV-BRWVUGGUSA-N	417.529	3.777	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c1	734018905	MUDPUOVMIAEDNV-UHFFFAOYSA-N	414.465	3.887	10	20	HHCD	
CC(C)c1nn(C)c(Cl)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	741539480	DISDTIJEKWMOCG-OKILXGFUSA-N	422.932	3.880	10	20	HHCD	
CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc(N2CCCC2)cc1	743551965	KKBZWRBLSMQOBL-HSZRJFAPSA-N	406.574	3.950	10	20	HHCD	
CCC(CC)(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1	743750219	FUEXMDOAHQPQMS-HXUWFJFHSA-N	407.558	3.763	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCc2ccc(O)cc2C1	745906092	WATIGAFNZRICOJ-KRWDZBQOSA-N	417.456	3.730	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(F)cc3F)cc2F)C[C@@H](C)O1	746221938	PVHNFQNBXWSXDY-ZIAGYGMSSA-N	407.436	3.717	10	20	HHCD	
Cc1ncc(/C=C/C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)s1	747442540	VQANBDRSKNMMLV-SOFGYWHQSA-N	402.472	3.568	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(-c4nnc(C)o4)cc3)CC2)cc1	747566409	PHTWMOIKPFFHOK-UHFFFAOYSA-N	407.474	3.798	10	20	HHCD	
O=C(Cc1coc2cc(F)ccc12)NCc1ccc(N2CCC(O)CC2)c(F)c1	748297982	UTCUFNXRPUWSQA-UHFFFAOYSA-N	400.425	3.531	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C\C(=O)Nc1ccc2n[nH]cc2c1	752936438	ZCURNDSDJZFOET-QXMHVHEDSA-N	417.513	3.707	10	20	HHCD	
Cc1noc(C)c1CN1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1	753537250	SKZBPGORXOKAFM-UHFFFAOYSA-N	407.514	3.894	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C\c3cnc(C(C)(C)C)s3)CC2)cc1F	753745547	OOCAZBZVESTTKJ-VURMDHGXSA-N	403.523	3.950	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(NC(=O)C(C)C)c3)CC2)cc1F	753880310	WZTZJWJSZMOBKR-UHFFFAOYSA-N	414.481	3.783	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1	755011046	GRIAJDGMZDLXAN-UHFFFAOYSA-N	415.833	3.961	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC1CCN(c2cccs2)CC1	755128585	ZAHWPDPPDXHOIY-UHFFFAOYSA-N	416.616	3.770	10	20	HHCD	
CCc1c(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cnn1CCC(C)C	756077842	VVTSWCOUNXCLKK-UHFFFAOYSA-N	413.566	3.545	10	20	HHCD	
C[C@H](NC(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1ccc(N2CCOCC2)cc1	756946373	DNEWKMVPJWIJAY-INIZCTEOSA-N	410.905	3.853	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(C(N)=O)n(C)c2)c(C)n1-c1ccccc1Br	756966288	XVKDDEGZCGOLNX-UHFFFAOYSA-N	415.291	3.546	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC(n2c(O)nc3ccccc32)CC1	759591024	SWNQJUUUMUEVST-UHFFFAOYSA-N	417.560	3.727	10	20	HHCD	
CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)n(-c2ccccc2Br)c1C	760054169	VLAIHJWPRXUOOK-IEBWSBKVSA-N	421.335	3.780	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)c1	760134321	ZEANWPJVUDTCEC-BGFJZZDESA-N	420.868	3.590	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2ccco2)c(C)n1-c1ccccc1Br	762314997	ZHNOFMFEOJPRDK-QGZVFWFLSA-N	403.276	3.913	10	20	HHCD	
CC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nnc2n1CCCCC2	765640202	AJLCDEJIFAQMQS-VQIMIIECSA-N	401.530	3.782	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2cncc(Br)c2)C1	767181992	UOORZTBSQFKRMC-QGZVFWFLSA-N	410.743	3.957	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)cc1	767306666	VSOHZZXDBIJWAP-IBGZPJMESA-N	401.473	3.768	10	20	HHCD	
CCO[C@@H](C)c1noc(CN(C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1	769503195	TWIIZDCMPHXBFF-HNNXBMFYSA-N	403.483	3.698	10	20	HHCD	
COc1ccccc1COC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	769717243	SCSLGJIJZGHHGN-UHFFFAOYSA-N	421.541	3.962	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(Br)cc2C)c1	770255203	XTNZKEAKDMVBOR-NSHDSACASA-N	400.294	3.511	10	20	HHCD	
CC[C@@H](NCc1ccc(CS(=O)(=O)NC)cc1)c1ccc(Cl)c(Cl)c1O	775491816	KZNIDCLCQXYRCY-MRXNPFEDSA-N	417.358	3.989	10	20	HHCD	
O=S(=O)(c1ccccc1CNCc1cc(Cl)cc(F)c1O)N1CCCCC1	775938354	GNDGHRKHUUMDOG-UHFFFAOYSA-N	412.914	3.649	10	20	HHCD	
Cn1cc([C@H](NCc2ccc(N3CCC(CO)CC3)cc2)c2cccc(F)c2)cn1	779022791	GQLHSZQXFCUWCC-XMMPIXPASA-N	408.521	3.647	10	20	HHCD	
Cc1nn(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1[N+](=O)[O-]	779645540	JGZGXEBJAMTVOI-UHFFFAOYSA-N	404.373	3.992	10	20	HHCD	
COc1ccc(N2CCCN(Cc3c(C(F)(F)F)nn(C)c3Cl)CC2)cc1	782152047	FJMWTNVJDXREBP-UHFFFAOYSA-N	402.848	3.813	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc2c1OCCO2)c1ccc(N)cc1	783486607	PUHTVASMRPYWPT-MRXNPFEDSA-N	417.465	3.773	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3nccnc3cc2F)cc1	792108730	CLBPQILTCFLNDW-SFHVURJKSA-N	408.477	3.656	10	20	HHCD	
COc1cc(NCc2c(O)ccc(Cl)c2F)ccc1S(=O)(=O)N1CCCC1	792156452	GHBBAHLLXXGAFH-UHFFFAOYSA-N	414.886	3.590	10	20	HHCD	
C[C@@H](NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1ccc(N(C)C)cc1	793560551	CKTGVRHEPRSMEP-VOIUYBSRSA-N	406.530	3.828	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1noc(CNC(=O)OC(C)(C)C)n1	800328278	KGOGLESOPNXFHG-UHFFFAOYSA-N	415.538	3.717	10	20	HHCD	
Cc1cc(-c2nnc(N3CC[C@H](N4CCCCC4)C3)n2C)c(C)n1-c1ccccc1	800725090	PZFYOBMNEJFGID-NRFANRHFSA-N	404.562	3.954	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1	801978312	HHYZERMSGYCSRC-GOSISDBHSA-N	412.534	3.524	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2csnn2)cc1	802610030	QQUOFHQECUWBPB-UHFFFAOYSA-N	410.499	3.678	10	20	HHCD	
Cc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1	802753692	NDWPNOZJBQJNJM-ICSRJNTNSA-N	421.545	3.614	10	20	HHCD	
Cc1cnc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)s1	803676823	RSKAFVVMZMCLBD-MRXNPFEDSA-N	414.575	3.714	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](C(F)(F)F)[C@@H](CO)C3)c2C)cc1	804391734	RNLIPCWVPVXJBS-BEFAXECRSA-N	410.436	3.736	10	20	HHCD	
COc1cccc2c1CC[C@@H]2NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	804530889	HPXJOWZCSQQSBI-NRFANRHFSA-N	422.525	3.866	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCC1CCC(c2ccccc2)CC1	805189769	YODYOSHPFLYLHP-UHFFFAOYSA-N	417.553	3.769	10	20	HHCD	
CC[C@H](NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)c1cc(Cl)cc(Cl)c1O	806165785	LCVBQXBNDUCUTC-MUSFGAPCSA-N	414.377	3.823	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H]1[C@@H]1CCCO1	806683989	FAGHDLMSZVUIFO-OALUTQOASA-N	409.477	3.610	10	20	HHCD	
CSCC[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)N(C)C	807905439	MYRIJLWQQWRPTD-SFHVURJKSA-N	407.967	3.687	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1	808919605	BDGJCTIKJSEJJT-UHFFFAOYSA-N	418.497	3.927	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(CCCc4ccccc4)n3C)CC2)cc1	809866641	WVXIHTPSWDJPTB-UHFFFAOYSA-N	405.546	3.716	10	20	HHCD	
Cc1nn(C)c2cc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)ccc12	812984715	QQUZBWXSZIVYFO-UHFFFAOYSA-N	405.502	3.626	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)c1ccc(N(C)C)cc1	813722428	SHPIFVNNUFECGA-SGTLLEGYSA-N	424.314	3.748	10	20	HHCD	
Cc1cccc([C@H]2C(=O)NCCN2Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	848950219	BYNYUYBIRBTWST-QFIPXVFZSA-N	408.502	3.567	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1	916098084	NSFLGJONEIPUJR-UHFFFAOYSA-N	404.469	3.738	10	20	HHCD	
Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)o2)cc1	917707940	CFJAQHZZWIRBTQ-UHFFFAOYSA-N	423.488	3.875	10	20	HHCD	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1	918156568	QWJYOJYIRCEHHW-SFQUDFHCSA-N	418.565	3.562	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3c(F)cccc3F)cc2F)C[C@@H](C)O1	918219146	FTCXQZMCWPQSEG-HUUCEWRRSA-N	421.463	3.759	10	20	HHCD	
O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1	919971751	WGBPSRSJMDKVTI-UHFFFAOYSA-N	420.912	3.916	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN(CCc2ccccc2)C(C)C)c1	1318076238	SBRRJYMGWBMLPP-UHFFFAOYSA-N	410.558	3.880	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1ccc2ccccc2c1	1338288361	QICYPPVICSHSDA-QRWLVFNGSA-N	407.466	3.645	10	20	HHCD	
Cc1cc(NC(=S)NCCCN(C)c2ccccc2)ccc1N1CCN(C)CC1	1338288596	ILSAYQIWPBXPRF-UHFFFAOYSA-N	411.619	3.560	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cc(OC)ccc3OC)CC2)cc1	1338846151	PEONWOQFIYYFRR-RBBKRZOGSA-N	410.514	3.555	10	20	HHCD	
CCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	60106635	YATXHQMNWBWPSK-GOSISDBHSA-N	410.514	3.762	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4sccc4C3)cc2F)C[C@H](C)O1	108467784	IHMJATVSUUDGLA-GJZGRUSLSA-N	403.523	3.769	10	20	HHCD	
C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(N2CCOCC2)cc1	301535892	MMUVHJIWRFFZPL-GFCCVEGCSA-N	407.268	3.762	10	20	HHCD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	303514565	BZOOFXRMAPHGFW-OAHLLOKOSA-N	420.912	3.772	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)n(C)c2ccccc12	472804044	LRESPDXCLJHVNM-UHFFFAOYSA-N	421.888	3.581	10	20	HHCD	
CC(C)Oc1ccc(NC(=S)NCc2ccc(N3CCOCC3)c(F)c2)cc1	726470248	SLJIYRYUTHHUSV-UHFFFAOYSA-N	403.523	3.936	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCCN(C)C3CCCCC3)CC2)cc1	726610975	PRFNBPVWSALWGO-UHFFFAOYSA-N	402.583	3.618	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	727366765	OLDWMUSZPMUNGB-UHFFFAOYSA-N	411.458	3.629	10	20	HHCD	
COC(=O)Nc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1F	727597269	UDPHRJIIOXKLKJ-UHFFFAOYSA-N	416.453	3.505	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1	728981263	WLAXJYDNURKYLT-WBVHZDCISA-N	404.466	3.784	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@@H](c2cccc(F)c2)C1	729597920	UPGMOSNHTYRVEU-GOSISDBHSA-N	415.484	3.625	10	20	HHCD	
CCCC[C@H](NC(N)=O)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1	731884583	CPYMOSYXUJHARH-NRFANRHFSA-N	412.534	3.522	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1	734687298	UDBOYIZLGUNTPK-UHFFFAOYSA-N	414.594	3.775	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1	734687400	YSBLGFZBIHECNC-KRWDZBQOSA-N	404.555	3.507	10	20	HHCD	
CSC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	737992781	IGHFPHBHTOIOOS-SFHVURJKSA-N	411.365	3.700	10	20	HHCD	
O=C(NCCCOCC1CCOCC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	741100556	YMAGDAOJPUIKGZ-UHFFFAOYSA-N	424.501	3.990	10	20	HHCD	
C[C@@H](OCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742799054	SYZNMZDVYVFSJY-AEFFLSMTSA-N	404.457	3.978	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=Cc2ccccc2OC1	742799407	KSRMBKDGJQQCEL-QGZVFWFLSA-N	400.425	3.849	10	20	HHCD	
CCO[C@@H](C)c1noc(CN2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)n1	743378380	VZCUCZTWJYEJJF-KRWDZBQOSA-N	402.539	3.622	10	20	HHCD	
CCc1ccc([C@H](COC)NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)o1	743636013	ZOOJKKGQLDXPPR-FQEVSTJZSA-N	401.507	3.506	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)[C@@H](O)C2CC2)c(C)n1-c1ccc(OC(F)F)cc1	744988387	DTPKJEYXMPYPMU-DJJJIMSYSA-N	407.413	3.581	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N3Cc4ccccc4C[C@H]3C)cc2F)CC1	745808341	KKQORABRJAVKPJ-GOSISDBHSA-N	410.537	3.624	10	20	HHCD	
C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCCSc1nccs1	746020436	VMKFCROCOAGJOX-QWHCGFSZSA-N	415.581	3.502	10	20	HHCD	
CCc1ncsc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	747233520	PGLDIUDSUASKDL-UHFFFAOYSA-N	407.407	3.641	10	20	HHCD	
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)s1	747777994	JAXSTAMWOBOAEI-UHFFFAOYSA-N	422.981	3.871	10	20	HHCD	
CCCN(C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)[C@@H]1CCS(=O)(=O)C1	749341543	ZJCQAQPHRQNLNM-LJQANCHMSA-N	402.560	3.750	10	20	HHCD	
CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1(CC)CC	749613897	DBDWQWWQPYTSGJ-RTWAWAEBSA-N	403.567	3.648	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(Br)c2C)c1	751317509	GOMRZZOUERTFSV-NSHDSACASA-N	400.294	3.511	10	20	HHCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@H](O)c1ccccc1Br	752015291	LVXRYADPJFHBTD-JXFKEZNVSA-N	406.320	3.869	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(SC)cc3)CC2)cc1F	753741124	CRECRZKQBGYALL-HNNXBMFYSA-N	404.507	3.672	10	20	HHCD	
COc1ccc(N2CCC(NCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1	754615646	IUVHBSLTLJQIJU-UHFFFAOYSA-N	403.567	3.901	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc(N)cc2F)c(C)n1-c1ccc2c(c1)OCCO2	754955069	VOHYHPOSONSETC-UHFFFAOYSA-N	424.428	3.626	10	20	HHCD	
CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N(C)C	756432612	JSZLXMKLEZCXSM-KSSFIOAISA-N	401.463	3.569	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@H](C)c2cc(F)cc(F)c2O)s1	756531739	BRVYGEVSWWNONP-GFCCVEGCSA-N	418.531	3.656	10	20	HHCD	
CCn1ncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1-c1ccccc1	756839206	SHHLBESLLMLITD-UHFFFAOYSA-N	422.504	3.600	10	20	HHCD	
COc1ccc(OC(F)F)c(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1	756946398	VRQMEPGJKZQHOX-UHFFFAOYSA-N	403.429	3.672	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(Br)cc1-n1cncn1	758516043	PWVPXJHMKPAVEA-UHFFFAOYSA-N	412.291	3.882	10	20	HHCD	
O=C(NCCOc1cccc(C(F)(F)F)n1)NCc1ccc(N2CCCC2)cc1	758719960	POFSDOYWMKGMNR-UHFFFAOYSA-N	408.424	3.579	10	20	HHCD	
C[C@H]1CN(C(C)(C)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C[C@@H](C)O1	764746012	WJEHNIQCEGFDGI-KSZLIROESA-N	410.002	3.715	10	20	HHCD	
COc1ccc(N2CCC(NCCc3cc(Cl)c4c(c3)OCCO4)CC2)cc1	765363458	NBEJJZSSOCJCPA-UHFFFAOYSA-N	402.922	3.921	10	20	HHCD	
CCn1c(SCC(=O)NCc2cccc(Br)c2O)nc2ccccc21	765765259	QOLORVFDSZWBHK-UHFFFAOYSA-N	420.332	3.933	10	20	HHCD	
C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(-c2ccncc2)c1	765979121	IOHXGADTSKYMIZ-IBGZPJMESA-N	421.566	3.834	10	20	HHCD	
Cc1cc(C(=O)CSc2n[nH]c(CO)n2)c(C)n1-c1ccc(Cl)c(Cl)c1	767082478	BJVGGBIJTGZQTG-UHFFFAOYSA-N	411.314	3.986	10	20	HHCD	
CCN(CC)c1ccc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)cc1	768232193	ZOICLXSSPWPJLM-UHFFFAOYSA-N	407.605	3.537	10	20	HHCD	
CCOc1cccc(CN2CCN(Cc3csc([C@H](C)OCC)n3)CC2)c1O	769502812	RUOYWDAUJMZWLQ-INIZCTEOSA-N	405.564	3.663	10	20	HHCD	
CCOC(=O)c1c(NC(=O)C[C@@H]2COC(=O)C2)sc(C)c1-c1ccc(F)cc1	769645718	GSOKZKTWKOIIAB-LBPRGKRZSA-N	405.447	3.931	10	20	HHCD	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1C	771132643	HFYKNEZTUDVAJO-UHFFFAOYSA-N	405.501	3.733	10	20	HHCD	
CN(C)C(=O)Nc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c(Cl)c1	772462300	WJVDEDNWASLRIN-UHFFFAOYSA-N	401.894	3.948	10	20	HHCD	
COCCCOc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	773090775	FAGCJPQUYHTTFP-GOSISDBHSA-N	402.510	3.928	10	20	HHCD	
CCCCCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	773610688	KTDZXIIPMVAINH-ICSRJNTNSA-N	402.583	3.932	10	20	HHCD	
C[C@@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)c1ccc(N(C)C)cc1	773622754	UNRYSZMIYGRXJA-HXUWFJFHSA-N	422.573	3.690	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCOc1cccc(Br)c1	773743704	IBLNHJNSGRQJHG-CYBMUJFWSA-N	408.292	3.767	10	20	HHCD	
COC[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)c(F)c1	774370586	MMJKQRXEUCUJPD-PXNSSMCTSA-N	420.456	3.749	10	20	HHCD	
COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1	777666601	ILBGUIHLHKZUDW-UHFFFAOYSA-N	407.473	3.999	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(NC(=O)CN2CCCCCC2)cc1	779499503	IPEHUUMRUQWDEM-SDQBBNPISA-N	409.486	3.564	10	20	HHCD	
CON(Cc1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	780656883	KWTQHLGONFSNNF-IAGOWNOFSA-N	401.482	3.713	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc([S@](C)=O)c1)c1ccc(N)cc1	783487654	XYNBHQQUMCMMKD-JTBPQFFMSA-N	421.522	3.739	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N[C@H](c2cccs2)C(C)(C)C)cc1	784560380	LPTDMFLZKDYTIV-HXUWFJFHSA-N	404.532	3.640	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1	787370855	RXGFQJBFHQMKTH-MRXNPFEDSA-N	404.308	3.575	10	20	HHCD	
COCCOc1cc(OC)ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	788434448	CUXSBKWMUOISIB-UHFFFAOYSA-N	400.519	3.837	10	20	HHCD	
Cc1nc2cc(C(=O)NCCc3ccc(O)c(O)c3)ccc2n1Cc1ccsc1	788517266	WPXRGMPJVDMEQK-UHFFFAOYSA-N	407.495	3.838	10	20	HHCD	
Cc1cccc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1	789864992	TZXJMMHNUUVXBY-QFIPXVFZSA-N	423.582	3.528	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(-n3nnnc3O)cc2)c(C)n1-c1cccc(Cl)c1	789924911	OKEIVLMNUKYPNY-UHFFFAOYSA-N	408.849	3.681	10	20	HHCD	
CN1CCC[C@H](N(C)C(=O)c2ccc(NCc3cc(Cl)cc(F)c3O)cc2)C1	793604391	GHPJXXNUGYHGIN-SFHVURJKSA-N	405.901	3.963	10	20	HHCD	
CCOc1cccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1	793825550	FIYGDELXJOZWPQ-GOSISDBHSA-N	411.546	3.767	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2C)c(O)c1	797390609	JPCHNSDALMWCAW-UHFFFAOYSA-N	402.516	3.855	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H](CO)Cc3ccco3)cc2Cl)C1	800719794	NQJQZORCVCDKNC-AEFFLSMTSA-N	419.953	3.820	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H](c1cccs1)N1CCOCC1	801961489	KHLAFMACADCIMX-LJQANCHMSA-N	417.575	3.839	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)CC2)cc1	806683939	OTRLFDAXLPPXFZ-PKOBYXMFSA-N	412.361	3.889	10	20	HHCD	
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837683	ADFBICUVWBQVHI-PXTDYPQFSA-N	403.331	3.573	10	20	HHCD	
CCOC(=O)c1cnc(Sc2nnc(COc3ccccc3Cl)n2C)s1	809345645	KAUYDCSGTYDBPU-UHFFFAOYSA-N	410.908	3.832	10	20	HHCD	
COC[C@]1(CNCc2cc(Cl)cc(F)c2O)CCCN1C(=O)OC(C)(C)C	809715228	DLALZWYEBKRMLU-LJQANCHMSA-N	402.894	3.690	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)cc1	810342125	YDPBAJWFUCHOPG-UHFFFAOYSA-N	420.460	3.597	10	20	HHCD	
CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1	812397056	IMJURCDSTZNMHK-KRWDZBQOSA-N	400.475	3.874	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)cc1	812957866	VCXIBRKILPXUBX-UHFFFAOYSA-N	414.453	3.605	10	20	HHCD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NCc1ccc(N2CCOCC2)c(F)c1	814311917	ZNQRYLMNAIDNIS-UHFFFAOYSA-N	401.869	3.656	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C)c(Cl)c3Cl)cc2)CC1	857493817	CYNIPTNQJDBTCP-UHFFFAOYSA-N	420.340	3.900	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nn2cc(-c3ccccc3)nc2s1	912505900	IYFZSQXTPZEENI-UHFFFAOYSA-N	405.527	3.931	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3c(c2)OCC(=O)N3)cc1	914456200	RBSXSLLVDRYGOF-UHFFFAOYSA-N	405.454	3.519	10	20	HHCD	
COCc1ccccc1CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	918211610	KEMRFEYADZIYPQ-IAGOWNOFSA-N	415.509	3.585	10	20	HHCD	
CCCOC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	920870762	CUHVBHKBMWLGGW-QGZVFWFLSA-N	411.502	3.973	10	20	HHCD	
CCS(=O)(=O)N1CCC(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)CC1	1322297512	PKZOEQUZZBTNTM-UHFFFAOYSA-N	414.531	3.673	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	27154600	QMLQNAMRUINMRG-UHFFFAOYSA-N	419.525	3.954	10	20	HHCD	
CCOc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	54786380	TUTHWEHEDLWDJC-QHCPKHFHSA-N	409.530	3.969	10	20	HHCD	
O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)o2)cc1	96971003	ZZEPFQNXSKUJAP-SFHVURJKSA-N	410.430	3.532	10	20	HHCD	
COc1cc(N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc(OC)c1OC	302159515	OLUAWXBLJNOOKA-UHFFFAOYSA-N	412.515	3.558	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccccc2Cn2cccn2)cc1F	303317913	HFGFMGOFBUYJLV-UHFFFAOYSA-N	409.509	3.916	10	20	HHCD	
CC(C)(CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCCC1	726609805	DGSMSAAAYVNUTA-UHFFFAOYSA-N	424.536	3.821	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3cnc(-c4ccccc4)nc3)SC2=S)cc1	726626919	IICIJAVULJJBPP-LICLKQGHSA-N	418.503	3.648	10	20	HHCD	
COC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1	726695874	IZMIXHWWKMIGBN-UHFFFAOYSA-N	419.428	3.865	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C	730909859	QSDLVOGRZHFFKQ-IBGZPJMESA-N	404.555	3.684	10	20	HHCD	
CCc1c[nH]ccc1=NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	733982250	NSXRSERCEHBZDQ-LFIBNONCSA-N	417.581	3.748	10	20	HHCD	
CCCCCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	740919388	QMADRLCVLSGHPD-NRFANRHFSA-N	412.578	3.681	10	20	HHCD	
Cc1c(NC(=O)NCc2ccc(N3CC=CC3)cc2)cccc1C(=O)N1CCCC1	741063664	HNQNBLRKZGGAMT-UHFFFAOYSA-N	404.514	3.929	10	20	HHCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(-c2ccncc2)no1	741084834	TXILMLMRJDVDKZ-HXUWFJFHSA-N	418.501	3.704	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)COc3ccc(O[C@@H](C)C(N)=O)cc3)c2C)c1	742361824	YYTXZDLBAMABCO-SFHVURJKSA-N	406.482	3.917	10	20	HHCD	
O=C(NCC1Cc2ccccc2C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743618637	JZZCNCYZZCYXMK-LJQANCHMSA-N	415.484	3.971	10	20	HHCD	
C[C@H](CCc1cccn1C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743661172	WGUGUPNJIOQPEL-SJORKVTESA-N	420.504	3.916	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCN(CC(F)(F)F)C1	743808079	PAOHIBGNBPIBTI-LBPRGKRZSA-N	423.273	3.778	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Oc3ccc(O[C@@H](C)C(N)=O)cc3)c2C)cc1	744213023	OUICMXGOSWBCIR-INIZCTEOSA-N	408.454	3.575	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1	745840130	UMGDNWISBFICRO-FQEVSTJZSA-N	410.562	3.525	10	20	HHCD	
C[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)c1ccc(N2CCOCC2)cc1	746838901	KZUYIGPWQOWAEU-KRWDZBQOSA-N	417.550	3.538	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)[C@@H](c3ccccc3)n3cccn3)cc2F)C[C@@H](C)O1	747643164	ZDFDOXKXECNMRO-IEGUWTFLSA-N	422.504	3.542	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1NCc1cccnc1	748015207	QKBGREAREOEBHA-UHFFFAOYSA-N	416.525	3.803	10	20	HHCD	
CC[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)Oc1ccccc1F	748958093	DDWYYFPZJIUVKQ-PXNSSMCTSA-N	415.509	3.880	10	20	HHCD	
C[C@H]1C[C@H](NCc2cccc(OCCN3CCOCC3)c2)c2c(O)ccc(F)c21	756467022	UMURROBKFNVHGS-JXFKEZNVSA-N	400.494	3.580	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Br)c(F)cc1O	756543561	QIZPKYXSKDYCJI-VHSXEESVSA-N	420.225	3.663	10	20	HHCD	
C[C@H](NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc(Br)cc(F)c1O	756764383	HZTQTAXDHKVHTC-JBBXEZCESA-N	415.347	3.712	10	20	HHCD	
Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3cccc(O)c3O)cs2)c1	758545739	BJRBCHYEHNVTNA-UHFFFAOYSA-N	412.467	3.709	10	20	HHCD	
O=C(NCc1ccccc1O)NC1CCN(Cc2ccc(Br)cc2)CC1	762101185	DWKXXGOMIPSYJW-UHFFFAOYSA-N	418.335	3.619	10	20	HHCD	
O=C(COc1ccccc1Br)NCc1ccc(N2CCSCC2)cc1	763554334	ROLNCWSWMQQBAC-UHFFFAOYSA-N	421.360	3.698	10	20	HHCD	
CCOc1cccc([C@H]2C[C@@H]2NC(=O)NCc2cccc(Br)c2O)c1	764807715	UWFXMNSGCFUPIE-WBVHZDCISA-N	405.292	3.909	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(OCC(F)(F)F)cn1	764856516	ZGUIJRRRJJPYLF-UHFFFAOYSA-N	413.359	3.985	10	20	HHCD	
COc1cc(Br)cc(CNC[C@@](C)(O)c2cccc(Cl)c2)c1O	764984848	ZLRJNMMOFYHHKO-QGZVFWFLSA-N	400.700	3.814	10	20	HHCD	
C[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1	765835826	MNPQACTVNNLWPC-GOSISDBHSA-N	402.560	3.810	10	20	HHCD	
CC[C@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1ccc(N(C)C)cc1	765869196	WCPJKXCMZOCPIZ-UPVQGACJSA-N	408.590	3.691	10	20	HHCD	
COc1cc(OC)cc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c1	767713985	CFXJYCCYGJCSNH-UHFFFAOYSA-N	404.469	3.521	10	20	HHCD	
Oc1cc2c(cc1CN1CCc3[nH]c4c(Br)cccc4c3C1)OCO2	769089726	WTZWYDQXXCENEM-UHFFFAOYSA-N	401.260	3.923	10	20	HHCD	
CN(CC(=O)Nc1ccc(Br)cn1)Cc1cc(Cl)cc(Cl)c1O	769310010	WFUQQEVIGHZMHE-UHFFFAOYSA-N	419.106	3.927	10	20	HHCD	
COc1cc(F)cc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1	769714756	XIQCRVGFSXNBND-GJZGRUSLSA-N	419.472	3.586	10	20	HHCD	
CN(C)c1ccc(CN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C2CC2)cc1	771790909	JSOZGJKLVLUAEY-UHFFFAOYSA-N	407.497	3.567	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)C=C2CCSCC2)NC(=O)OC(C)(C)C)cc1	772717745	HDLUFMRLVFTRDO-LJQANCHMSA-N	419.591	3.888	10	20	HHCD	
C[C@@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(N2CCOCC2)cc1	775257028	DMMYKJMFVJBFOI-HZPDHXFCSA-N	423.473	3.893	10	20	HHCD	
CC(C)S(=O)(=O)Cc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775619212	CBYQLJXACIDOJD-MRXNPFEDSA-N	403.548	3.959	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1	779508627	HHCLGMXGHUKOTE-XYOKQWHBSA-N	414.461	3.882	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	782420623	QHZRWCSRJOZLGC-UHFFFAOYSA-N	421.497	3.912	10	20	HHCD	
COC(=O)CN(Cc1cnn(Cc2ccc(F)cc2)c1)Cc1cc(Cl)ccc1O	783563503	XGQJFUCUHFJMLH-UHFFFAOYSA-N	417.868	3.605	10	20	HHCD	
C[C@H](NC[C@H](c1ccccc1)N1CCOCC1)c1cc(Br)ccc1O	783646744	CWLGTDFVGVJHBU-HNAYVOBHSA-N	405.336	3.879	10	20	HHCD	
C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1c(Cl)cccc1Cl	785439713	UZDJYPUONBGMDH-CYBMUJFWSA-N	408.329	3.596	10	20	HHCD	
Cc1coc(C)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	786240121	QHLCLJJMJYHJTP-SFHVURJKSA-N	401.507	3.958	10	20	HHCD	
CC[S@@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	787947329	DNFZHFZIMXWYAN-AREMUKBSSA-N	416.326	3.895	10	20	HHCD	
CC(C)(C)OCc1cccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	788912417	SNIXIBASVQGXLK-UHFFFAOYSA-N	423.557	3.535	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1c(C)noc1Cl	791247352	XEWVXUCVEJZSHQ-UHFFFAOYSA-N	421.925	3.958	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CCCc2ccc(F)cc21	792880639	AFHWREUYDRGGQH-NRFANRHFSA-N	415.484	3.803	10	20	HHCD	
Cc1ccccc1C[C@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	793673955	MJIDFGZRRBOEIF-SFHVURJKSA-N	406.482	3.570	10	20	HHCD	
O=C(NC[C@@H]1CCC(F)(F)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	797466105	DKCOPVSMYSBVSQ-ZIAGYGMSSA-N	403.420	3.991	10	20	HHCD	
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NCc3cccc(Cl)c3O)cc21	800541868	AVXWVNHFCBICBC-UHFFFAOYSA-N	400.910	3.838	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](C4OCCO4)C3)cc2Cl)C1	800719588	LPFKFIILAUECGZ-AEFFLSMTSA-N	421.969	3.871	10	20	HHCD	
CN(C)c1ccc(CNC(=O)CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1	805837927	HKKWFRCDVMKCTP-UHFFFAOYSA-N	408.521	3.869	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1	807651437	ZEYZUAFWXGGSDQ-NJDAHSKKSA-N	423.557	3.959	10	20	HHCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccc(OC[C@H]2CCOC2)c(F)c1	808113887	KLSBHJNUHARGHU-JTQLQIEISA-N	419.833	3.540	10	20	HHCD	
CCOC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1	810028313	GJVYLHXCKNKNIK-QFIPXVFZSA-N	410.514	3.751	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCOC1	812383951	CHXWFJWOKPZGII-KRWDZBQOSA-N	415.497	3.872	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cccc(Br)c3O)CC[C@H]21	814174513	BNSVLPMNZDLUAE-XJKSGUPXSA-N	411.340	3.986	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(Cl)c1N(C)C	915722259	AGTRQEQPTGVBGH-UHFFFAOYSA-N	402.926	3.907	10	20	HHCD	
CCC[C@H](C)N1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1=O	917646018	WFFPDTPEXGKHJC-ICSRJNTNSA-N	411.546	3.912	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCc3c(F)cccc3F)cc2F)C[C@H](C)O1	918219145	FTCXQZMCWPQSEG-GJZGRUSLSA-N	421.463	3.759	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1	918227867	AIQXOKGKJPDQSS-UHFFFAOYSA-N	403.530	3.986	10	20	HHCD	
Cc1ccc([C@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)N2CCCC2)cc1	1321649651	BBIJUIDKQLCLLQ-VWLOTQADSA-N	410.581	3.813	10	20	HHCD	
C[C@H]1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1789208525	UKYYZYZUZQYHJM-KBXCAEBGSA-N	409.486	3.677	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cscn2)C3)cc1	1845398315	ZYUYJNWEDLUAJM-UHFFFAOYSA-N	420.538	3.681	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccccc2NS(C)(=O)=O)cc1)C1CCCCC1	72043681	BHHROZBXEVIOIS-UHFFFAOYSA-N	415.559	3.757	10	20	HHCD	
COc1cc(CNCc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F	237319391	JGFQYARHCXROOS-UHFFFAOYSA-N	413.396	3.900	10	20	HHCD	
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CCOc2cc(N(C)C)ccc21	554659849	LWEUULXAWUDSBW-UHFFFAOYSA-N	408.502	3.728	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@@H](c2ccccc2)c2ccco2)n(C)c2ccccc12	555768490	NZLYHAUNXMZBGU-QFIPXVFZSA-N	401.466	3.602	10	20	HHCD	
O=C(NCc1ccccc1O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1	726275727	WDTZGGKVEZXOKY-UHFFFAOYSA-N	406.486	3.511	10	20	HHCD	
CCc1cccc(NC(=O)C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726725623	DGQHZTYITKCHLQ-UHFFFAOYSA-N	417.456	3.574	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)cn3)cc2F)C[C@H](C)O1	727307627	RDHIIZSSLYUJQK-STQMWFEESA-N	422.298	3.527	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1	727605700	ACJCIQUBHHJDHG-UHFFFAOYSA-N	404.555	3.684	10	20	HHCD	
CC(=O)c1csc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1	730174412	OPDJBQVODQFZOR-UHFFFAOYSA-N	412.433	3.736	10	20	HHCD	
CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	732275126	YPPVRRPATXMXEY-NRFANRHFSA-N	402.535	3.974	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O	732469487	GCRNMFQHVDMESP-IBGZPJMESA-N	414.937	3.743	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(C)n1-c1cccc(C(C)C)c1	736269822	GXDYMTGNJPVNFW-AEFFLSMTSA-N	402.560	3.865	10	20	HHCD	
CC(C)[C@H](NC1CCOCC1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	740750379	FNGCUBFYYPLGHP-QHCPKHFHSA-N	401.595	3.865	10	20	HHCD	
CN(C(=O)CSCC(=O)NCc1ccc(N2CCCCC2)cc1)C1CCCCC1	742476127	LBZICSLQNVQNRQ-UHFFFAOYSA-N	417.619	3.817	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1[nH]c2c(c1C)C(=O)CCC2	743808408	SLYGDXIPARNLTN-UHFFFAOYSA-N	405.292	3.973	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1Cl	743958447	XRDYHNGTMNOALP-UHFFFAOYSA-N	416.905	3.968	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C	745801788	NLPYQYDTLNBUEF-QGZVFWFLSA-N	408.546	3.953	10	20	HHCD	
CC[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCOCC1	746416057	BQZBRRBWEALBDQ-IBGZPJMESA-N	411.493	3.761	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@@H]3SCCc4ccccc43)CC2)cc1	749565107	MGLLYCIOWJUBES-QFIPXVFZSA-N	411.571	3.994	10	20	HHCD	
Cc1ccccc1CCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751058816	MFTMEYBWVMWHEM-UHFFFAOYSA-N	416.524	3.535	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)ccc21	751111941	GXGURGBOZNLXSZ-UHFFFAOYSA-N	411.590	3.941	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1c(F)cccc1Br	752721495	DJVUXCVKFWUDBP-UHFFFAOYSA-N	422.298	3.641	10	20	HHCD	
C[C@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC(C)(C)C1	753032553	XZORHOFTKSQINU-CYBMUJFWSA-N	408.545	3.763	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(F)cc(Br)cc2[nH]1	753640453	PZAZDDDUJWTNPL-VIFPVBQESA-N	407.239	3.842	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Oc3c(OC)cccc3C(=O)N(C)C)ccc21	755232515	WYOUFVPBYVIBBI-UHFFFAOYSA-N	424.497	3.834	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cc(Br)c3c(c2)OCO3)c1	756454228	BJLPURWJNXOWAE-JTQLQIEISA-N	408.248	3.521	10	20	HHCD	
C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756523099	AAOFLMDBTYXVED-HZPDHXFCSA-N	412.490	3.969	10	20	HHCD	
COc1cccc(OC)c1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	756928544	JXELYOXSVOYZCX-UHFFFAOYSA-N	420.456	3.633	10	20	HHCD	
CCOC(=O)[C@H]1CCCN(C(=O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)C1	757286912	RVTXHORKLGKJCL-UGKGYDQZSA-N	424.541	3.757	10	20	HHCD	
CCOCCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1	758164741	RDUMUVKNXDYFOB-UHFFFAOYSA-N	406.287	3.915	10	20	HHCD	
O=C1NCCN(Cc2c(O)ccc3ccncc23)[C@@H]1c1ccc(C(F)(F)F)cc1	758377521	YDKQLFFHGGSQAJ-LJQANCHMSA-N	401.388	3.632	10	20	HHCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)Nc1cccc(CSc2ccccn2)c1	758556670	FLEYIRPMBOFYQF-CQSZACIVSA-N	424.478	3.969	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cc(OC)c1OC	759219571	DGUXZHUCPCZZGW-GBESFXJTSA-N	416.562	3.968	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNCc1ccc(OCCN2CCOCC2)c(Cl)c1	759283742	UAIKTYQWFKVFOG-UHFFFAOYSA-N	417.981	3.715	10	20	HHCD	
CC(C)CN(CC(C)(C)C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	762272114	OZAPNXAEACSIEG-LJQANCHMSA-N	402.583	3.602	10	20	HHCD	
COc1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)ccc1F	763354347	QMGUDSIMSKNOCG-UHFFFAOYSA-N	407.445	3.579	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(N2CCOCC2)cc1	763378230	DBBAGHZCYZRZBO-BTYIYWSLSA-N	417.912	3.772	10	20	HHCD	
Cn1cc(N2CCC[C@@H](OC(=O)c3ccccc3N=Nc3ccc(O)cc3)C2=O)cn1	764494231	GFPDZAKNEUQQRN-HXUWFJFHSA-N	419.441	3.894	10	20	HHCD	
C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(N2CCCCCC2)cc1	765351123	PGPJFYHFWBCYQY-FQEVSTJZSA-N	415.603	3.837	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc2c(s1)CCCC2	765977332	FQFMFDZTKJYFRC-MRXNPFEDSA-N	404.601	3.713	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCc2cccnc21	766760410	BJNFZTXBIONMJE-APWZRJJASA-N	401.457	3.888	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)nnn1Cc1ccc(F)cc1	768028986	AKWUTEYIPQWIAV-UHFFFAOYSA-N	420.444	3.915	10	20	HHCD	
Cc1cc(C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(Cl)c1	769732562	ZIWQCGDWMLTCRY-GOSISDBHSA-N	408.951	3.787	10	20	HHCD	
Cc1ccc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c(O)c1O	770495791	YAZDKUSKGNJHBM-UHFFFAOYSA-N	411.479	3.774	10	20	HHCD	
C[C@H](C(=O)NCC(F)(F)F)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	772756031	WCIJHPNCDJXBPG-CYBMUJFWSA-N	415.456	3.531	10	20	HHCD	
COc1ccc(O)c(CNC(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc2)c1	773401474	GWDLAKHJMAKSQZ-NDENLUEZSA-N	405.450	3.972	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2c(O)ccc3oc4c(c23)CCCC4)CCO1	774644561	CISSXTVDJWGJSI-HNNXBMFYSA-N	416.518	3.743	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2cccc(C(F)(F)F)c2)cc1	774799622	IPCWVOIBLCXKBO-UHFFFAOYSA-N	421.463	3.826	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1	774891574	HUWMAUOMYXKKHU-CQSZACIVSA-N	419.319	3.771	10	20	HHCD	
Cc1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c(C)c1O	775291237	GMXMHINXUDFFMV-UHFFFAOYSA-N	415.265	3.789	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1	775487884	FRDVJPKJALCFBS-BWKNWUBXSA-N	407.602	3.896	10	20	HHCD	
Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccc(Cl)c3O)C2)cc1	775675304	WYUIISWHLWKHSO-INIZCTEOSA-N	408.951	3.545	10	20	HHCD	
C[C@@H](NC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	776236873	BPLWBOQYUKHUOI-MRXNPFEDSA-N	404.555	3.855	10	20	HHCD	
CSCC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1nnc2ccccn12	778108767	GLSVOGHFWVGSHF-MRXNPFEDSA-N	404.923	3.875	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]nc1-c1ccc(Cl)s1	778329371	UQXJNJHZCYCOKB-UHFFFAOYSA-N	416.934	3.900	10	20	HHCD	
Cn1cnc(-c2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)n1	779849685	FEDAEZAZLCGXFQ-UHFFFAOYSA-N	408.417	3.510	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1	784109414	RKWFRKPKAOPDDK-UHFFFAOYSA-N	420.513	3.779	10	20	HHCD	
CCCn1c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc2ccccc21	786806723	PHSINTHKQCDMIN-FQEVSTJZSA-N	418.541	3.683	10	20	HHCD	
Cn1ccc2cccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)c21	788325900	CRIJTHYVHWDLSD-UHFFFAOYSA-N	403.438	3.644	10	20	HHCD	
CNC(=O)COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(C)c1	797680029	YASMEYZMWMKCTG-UHFFFAOYSA-N	412.534	3.628	10	20	HHCD	
CC[C@H](CO)NC(=O)c1ccc(NCc2cc(Br)cc(C)c2O)cc1	798085285	NQIMRVKJPWUGFL-MRXNPFEDSA-N	407.308	3.576	10	20	HHCD	
O=[N+]([O-])c1cnc(Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)s1	799927966	KSGUIPFHGFWEPW-UHFFFAOYSA-N	420.495	3.908	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCCNC(=O)C3CCC3)cc2Cl)C1	799937869	ITZKJORFRZDMKE-MRXNPFEDSA-N	420.985	3.682	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1	800913808	NDFNEYSAIBSJPT-OAQYLSRUSA-N	424.545	3.676	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1	802477303	YYYYOFWIXHJBJF-JOCHJYFZSA-N	422.573	3.518	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C	803389508	DLUKJNRZTPOXGE-GOSISDBHSA-N	406.523	3.547	10	20	HHCD	
COC(=O)c1cnc(N2CCCN(c3ccc(OC)cc3)CC2)cc1C(F)(F)F	804363911	KKJSYBQCENHEAG-UHFFFAOYSA-N	409.408	3.612	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)Cc2ccc(C)s2)cc1	807278909	OZYJZTJYCKJNFJ-INIZCTEOSA-N	401.576	3.609	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](CC1CCC1)c1ccccc1	807291022	RWXKQKFWSGCVCC-HSZRJFAPSA-N	403.526	3.727	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC=C(c2cccc(Cl)c2)CC1	807291713	MIOSBHCTHMBVBV-UHFFFAOYSA-N	421.928	3.648	10	20	HHCD	
C[C@H](O)c1ncc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1	809631262	SPXVKZAGYXPMHB-KSSFIOAISA-N	420.579	3.618	10	20	HHCD	
Fc1cc(CN2CC[C@]3(CCN(Cc4ccccc4)C3)C2)ccc1N1CCOCC1	809704327	ZMGUQUMNTGBUGF-VWLOTQADSA-N	409.549	3.760	10	20	HHCD	
COc1cc(Br)cc(CN2CCCN(C(C)=O)c3ccccc32)c1O	809785829	DGFBPSIXYPVZKE-UHFFFAOYSA-N	405.292	3.927	10	20	HHCD	
O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1Cc1cccs1	814289859	WCFREEKHMLKPJV-SFQUDFHCSA-N	402.566	3.986	10	20	HHCD	
COc1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc2cccnc12	815594220	JOFBWIBPKPNOMG-UHFFFAOYSA-N	418.497	3.988	10	20	HHCD	
COC(=O)c1sccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	819427068	FXMTZZQYJNBQCO-UHFFFAOYSA-N	409.529	3.764	10	20	HHCD	
Cc1cc(C(=O)COC(=O)CCc2ccco2)c(C)n1-c1ccc2c(c1)OCCO2	844253852	KUROAUARNMPYDK-UHFFFAOYSA-N	409.438	3.817	10	20	HHCD	
O=C(/C=C\c1ccc(I)o1)NCc1ccc(N2CCCC2)cc1	915198198	DGVCCNNGUZMQPS-NTMALXAHSA-N	422.266	3.814	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)C2CC2)cc1	918455938	MWCXDMISGSDDSD-UHFFFAOYSA-N	420.557	3.873	10	20	HHCD	
CCc1nc(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cs1	920279601	HIIZNEISQGSMMI-GASCZTMLSA-N	420.554	3.800	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(C(=O)OC)nn2-c2ccccc2)cc1	1318271476	QUZFMSQXHUVFHD-UHFFFAOYSA-N	420.513	3.777	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)cc1	1320023514	ILNWSCSAGVFBQO-UHFFFAOYSA-N	424.501	3.556	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	65715892	GXYMXSMCRFXLEC-QGZVFWFLSA-N	409.530	3.637	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCC[C@@H](C(=O)NC(C)C)C3)ccc21	522500488	MVEXWEFBPCSUGP-UYAOXDASSA-N	413.562	3.718	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cn1	727248858	LEDNRQJRZTXIQN-UHFFFAOYSA-N	402.423	3.846	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C/c2cnn(-c3ccc(F)cc3)c2)SC1=S	728312064	KFIOPIMFALFHRO-MFOYZWKCSA-N	418.563	3.800	10	20	HHCD	
Cc1cc(C)n2c(n1)nc(=S)n2CN(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728903931	BBJMVKUYJOFZNV-UHFFFAOYSA-N	424.496	3.965	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1	728941160	PMPXVSKJBNOTOY-MRXNPFEDSA-N	411.502	3.587	10	20	HHCD	
CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N(C)Cc3ccccc3O)ccc21	729041280	SXQADUUQAOQYPT-UHFFFAOYSA-N	408.502	3.879	10	20	HHCD	
Cc1cc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1F	729853463	APEYGTHUAXWNHU-UHFFFAOYSA-N	414.449	3.683	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC[C@H](c3nnc(S)n3C)C2)c1	732075669	FBGKIUTUWPVSEN-KRWDZBQOSA-N	409.559	3.840	10	20	HHCD	
Oc1ccccc1CN(Cc1nnnn1-c1ccc(OC(F)F)cc1)C1CCCC1	732204923	WEVZEVDPLFZGDE-UHFFFAOYSA-N	415.444	3.914	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2C[C@H](c3ccccc3)C[C@@H]2C)c1	734477925	VKPADRMCSKFRFQ-PGRDOPGGSA-N	408.542	3.805	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	741091144	YXYLKOPKUDPEII-IBGZPJMESA-N	414.550	3.509	10	20	HHCD	
CCn1nc(C)c(S(=O)(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1C	742284191	UKSRHSGLZZLVQT-UHFFFAOYSA-N	404.580	3.767	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2scnc2Cl)NC(=O)OC(C)(C)C)cc1	742755856	YNBSHHJMPCUUFF-AWEZNQCLSA-N	424.954	3.858	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)Oc1cccc(F)c1	743554488	GHKLJCSSGGZQGO-INIZCTEOSA-N	403.523	3.646	10	20	HHCD	
COc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(C(F)(F)F)c1	743955527	KLZMGOVKOFCDGP-UHFFFAOYSA-N	422.403	3.553	10	20	HHCD	
CC[C@@H](C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C)N1CCCC1=O	745696114	FUHVFKUXDIDJKU-FQEVSTJZSA-N	414.477	3.669	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C)N3CCc4ccccc43)cc2F)C[C@@H](C)O1	746878299	VDWUDGWLNLLMFJ-KZNAEPCWSA-N	411.521	3.507	10	20	HHCD	
CCOc1ccc(O)c([C@@H]2NC3(CCCC3)C(=O)N2c2ccc(OC)c(OC)c2)c1	747439551	DHRRZLXQGAWCPJ-OAQYLSRUSA-N	412.486	3.756	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1nccn1CCc1ccccc1	751609770	QRCKHHUMILSPJV-UHFFFAOYSA-N	401.514	3.501	10	20	HHCD	
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1	752151653	KAMHWDRUPDWIKV-RXVVDRJESA-N	422.447	3.793	10	20	HHCD	
C[C@H](OC(=O)CCc1ccoc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	753492268	KMNPDCWPLIGKND-AWEZNQCLSA-N	417.417	3.558	10	20	HHCD	
COC(=O)COc1ccc(N(C)Cc2ccc(Br)c([N+](=O)[O-])c2)cc1	753591579	MEBMLVKFLWOAAF-UHFFFAOYSA-N	409.236	3.546	10	20	HHCD	
Cc1cccc(-n2ccnc2SCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C	753635720	HSYPUSHSPSVWJS-OAHLLOKOSA-N	411.527	3.740	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1F	753800029	SNJOXSRUGNTNRB-UHFFFAOYSA-N	411.399	3.885	10	20	HHCD	
O=C(NCCNc1ccccc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	754920119	RRVNEKBZIUJSKS-UHFFFAOYSA-N	404.461	3.668	10	20	HHCD	
CC1CCN(S(=O)(=O)Cc2ccccc2CNCc2ccc(N(C)C)cc2)CC1	756045443	JYPUQMQSDZEWDF-UHFFFAOYSA-N	415.603	3.604	10	20	HHCD	
COCCc1noc(CN(C)Cc2c(O)ccc3cc(Br)ccc23)n1	758404719	NXAJNQZRSXCTMX-UHFFFAOYSA-N	406.280	3.512	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccccc1O[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1	760061353	HUGMUXJPESBQBR-YLJYHZDGSA-N	411.502	3.574	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(-c4ccoc4)c3)cc2)C1	760377220	RNLDXEINNOVPMW-HXUWFJFHSA-N	403.482	3.578	10	20	HHCD	
C[C@@H](NCC1(N2CCOCC2)CCCCC1)c1ccc(N2CCOCC2)cc1Cl	764564450	TUGDSICSWAJTRZ-LJQANCHMSA-N	422.013	3.862	10	20	HHCD	
COc1ccc(OC)c([C@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	764770556	CYYIWVZDVKOPAI-QVKFZJNVSA-N	420.937	3.578	10	20	HHCD	
CCOC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1cccc(O)c1	768918913	PEVXDKKLWRRKLO-QFIPXVFZSA-N	422.481	3.843	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)c1	770258851	BPPUNULFJAIGFS-ZDUSSCGKSA-N	416.449	3.677	10	20	HHCD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	770831390	QTFCQQFNQOCCKO-VGSWGCGISA-N	415.509	3.580	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c[nH]nc1-c1ccccc1	771054064	SLDSOMZIMUBAAK-GOSISDBHSA-N	410.905	3.830	10	20	HHCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)CN1C(=O)OC(C)(C)C	772002401	IWHBCIFQAHBLGV-MSOLQXFVSA-N	414.550	3.602	10	20	HHCD	
C[C@H](NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCOCC2)cc1Cl	773067795	HIPGBLVVHRFIMF-IMRHEYAYSA-N	422.013	3.595	10	20	HHCD	
Cn1cc([C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(F)cc2)cn1	773229833	KRKUACWZBJYGEI-QFIPXVFZSA-N	407.493	3.748	10	20	HHCD	
C[C@H](NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1	775257741	MZLDPDPLUTZUGX-DLBZAZTESA-N	417.500	3.672	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)[C@@H]1Oc1ccccc1	776161353	MUONEVWGHOEXPL-BBWFWOEESA-N	407.561	3.550	10	20	HHCD	
CC(=O)c1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)nc1C	776788931	WNYRTGWRJDWVAR-ZIAGYGMSSA-N	413.493	3.584	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1	778620881	QYOJXLNLKCBVES-REWPJTCUSA-N	406.574	3.997	10	20	HHCD	
COc1ccc(N2CCN(C[C@@H](O)CN(C)[C@@H](C)c3cc4ccccc4o3)CC2)cc1	779213837	LUJMEBJKLZQEDV-UGKGYDQZSA-N	423.557	3.617	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@]23CCOC3=O)c(C)n1-c1ccccc1Br	779253590	NLSYYBIVCZJOOZ-FQEVSTJZSA-N	417.303	3.778	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1	779517386	QCRGIHHMAIZPAK-LYLYKKCESA-N	404.869	3.684	10	20	HHCD	
COC(=O)c1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1	783485583	JRUJYFDODKKUGC-INIZCTEOSA-N	417.465	3.788	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1OCC(F)F	784029832	JWLQHCILKNQMOI-UHFFFAOYSA-N	410.392	3.553	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cccc(Cl)c2Cl)cc1	786942712	CBYHPYIRCDZBEU-UHFFFAOYSA-N	408.329	3.772	10	20	HHCD	
COC(=O)c1cc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(C)cc1C	788316138	UDVTWLHXKOTDBY-UHFFFAOYSA-N	411.502	3.843	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCc2c(O)cccc21	789817499	XSSSWEGXOFWKNM-XLIONFOSSA-N	414.933	3.952	10	20	HHCD	
CO[C@@]1(C)CCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	792967552	OGTFMNSCMIRBRT-NRFANRHFSA-N	411.493	3.857	10	20	HHCD	
COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	797649178	ZTENKNHRYGLGOH-QWHCGFSZSA-N	408.882	3.918	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(F)c(N2CCOC2=O)c1	797658044	DBTKNDUBRDSODH-UHFFFAOYSA-N	424.226	3.572	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1	799024792	ZFLTVGNSXSGVTQ-UHFFFAOYSA-N	407.436	3.625	10	20	HHCD	
COc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	803677220	JRKHWWQOAYSTGB-UHFFFAOYSA-N	423.557	3.739	10	20	HHCD	
CON(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	803677532	QGKLLEHELZFQIP-UHFFFAOYSA-N	409.530	3.662	10	20	HHCD	
CSCC[C@H](N[C@H](C)c1cc(Br)cc(Cl)c1O)C(=O)N(C)C	806661641	AZLQWUZKRUCRIQ-RNCFNFMXSA-N	409.777	3.669	10	20	HHCD	
CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1	806846299	JEDRRBJZZWCMTI-NRFANRHFSA-N	414.550	3.653	10	20	HHCD	
O=C(N[C@@H](C1CC1)C(F)(F)F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	806878559	SHRVIIBYCIHVLJ-DOMZBBRYSA-N	407.383	3.897	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1	807588167	KSRDYKHOPDZPJB-IIBYNOLFSA-N	415.534	3.851	10	20	HHCD	
Cc1nc(O)c(Br)cc1C(=O)NCc1cc(Cl)cc(Cl)c1O	807840143	ZMPNERFUQQUFNK-UHFFFAOYSA-N	406.063	3.801	10	20	HHCD	
COC[C@@]1(CN[C@@H](C)c2cc(Br)ccc2O)OCCc2ccccc21	810242558	RMOWTMHXAOXTAK-VBKZILBWSA-N	406.320	3.920	10	20	HHCD	
COc1ccc([C@H](O)C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1	812774045	DHPGUOQXIJBKCI-DEOSSOPVSA-N	414.521	3.617	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1sccc1S(=O)(=O)C(F)F	813686327	ZGQBUJVXWWKNKK-UHFFFAOYSA-N	416.254	3.687	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNc3cc(N(C)c4ccccc4)ncn3)cc2)CC1	814365772	DDQJICALYQXRDZ-UHFFFAOYSA-N	416.529	3.525	10	20	HHCD	
Cc1cc(CCNC(=O)C[C@@H](C)NC(=O)c2ccccc2)c(C)n1-c1ccccc1	822093772	JTFGLVFKAPISIX-GOSISDBHSA-N	403.526	3.961	10	20	HHCD	
CN1CCc2cc([C@@H]3NC(=O)CN3Cc3ccc(OCc4ccccc4)cc3)ccc21	877850009	NWXUOASAVHTAMU-AREMUKBSSA-N	413.521	3.889	10	20	HHCD	
COC[C@@H](C)n1c(C)cc(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1C	916644928	DAYLBCLDEMXHKS-NQIIRXRSSA-N	414.546	3.882	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCc3ccc(OC4CCCC4)nc3)CC2)cc1	918010718	FQZMYSWAXBPAHP-UHFFFAOYSA-N	424.545	3.834	10	20	HHCD	
Cc1cc(O)c(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1C(C)C	919952399	TWLCPTJYYUQSAL-UHFFFAOYSA-N	402.560	3.721	10	20	HHCD	
C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2	920867439	REFUSDGCUFQWCQ-NXYOSRLFSA-N	411.590	3.647	10	20	HHCD	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)CCC(F)(F)F	1319325894	YVKYTZKASWZZOV-LBPRGKRZSA-N	404.388	3.673	10	20	HHCD	
CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C3)CCC1	1797911020	OBZVJWVOKKCTEK-QDMKHBRRSA-N	406.910	3.583	10	20	HHCD	
COCCNc1nnc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)s1	4541665	XHBPYUDSGZVNCT-UHFFFAOYSA-N	402.545	3.979	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(NC(=O)c2cccs2)n1	69772946	MEJVPIXQDFQNGC-UHFFFAOYSA-N	414.556	3.724	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1SC(F)(F)F	147300599	QBRCKVVUDLGUKV-UHFFFAOYSA-N	415.412	3.599	10	20	HHCD	
CCOc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1O	236914020	FAVJKLRVVZRRBW-UHFFFAOYSA-N	410.436	3.936	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-]	302831661	CRFNOMHGQWCLCY-MRXNPFEDSA-N	419.865	3.574	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)cc1F	303526449	QIZIACNQRKMXGT-RBUKOAKNSA-N	403.542	3.717	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2cnccc2-c2cccc(F)c2)n(C)c2ccccc12	472781266	BSQMZZKGAHGFEJ-UHFFFAOYSA-N	416.456	3.943	10	20	HHCD	
Cc1c(NS(=O)(=O)c2cccc3nsnc23)cccc1OCC(F)(F)F	589938881	MPRGRZYQOZGSNX-UHFFFAOYSA-N	403.407	3.742	10	20	HHCD	
COc1ccc(N(C[C@@H](O)COc2ccc(C(C)=O)cc2OC)C(C)C)cc1F	725816246	LVIXXFLGAXCLCE-GOSISDBHSA-N	405.466	3.700	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3cccc4c3ccn4C)CC2)cc1	727033033	YDMUWJZMJLTTIO-UHFFFAOYSA-N	421.545	3.521	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cccc(F)c2F)nc1-c1ccccc1	727249743	HRPVVDLCNXOQPF-UHFFFAOYSA-N	424.450	3.605	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](c4cccc(F)c4)C3)CC2)cc1	727604154	GNMLWJSDYVWTPU-JOCHJYFZSA-N	413.493	3.586	10	20	HHCD	
COc1cc(Br)c(NC(=O)NCc2cccc(OC)c2O)cc1OC	729561531	BLWUKTKFBSXSTM-UHFFFAOYSA-N	411.252	3.502	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(CN3CCOC3=O)c2)cc1F	731398946	XWXFPGPIGMIZIH-UHFFFAOYSA-N	414.481	3.946	10	20	HHCD	
CC(C)N(C)c1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	731764270	TVPYHYDGRKJFGZ-UHFFFAOYSA-N	421.497	3.997	10	20	HHCD	
Cc1ccc(COc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)c2)cc1	732480432	TXPZGEOTDWVNHN-UHFFFAOYSA-N	417.509	3.895	10	20	HHCD	
CCN(CC)c1ccc(CNC[C@H](c2cccs2)N2CCN(C)CC2)cc1F	740003384	XRALVVMLKLWJJL-OAQYLSRUSA-N	404.599	3.812	10	20	HHCD	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742807300	ZKUIFRHCKIYFHS-FJCDDACJSA-N	417.412	3.995	10	20	HHCD	
Cc1nc(C)c(CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	743601077	UGJRERNBKORPQE-OAHLLOKOSA-N	424.517	3.872	10	20	HHCD	
CCO[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C12CCCC2	743703031	RRQXAUUQIWLPSL-RTWAWAEBSA-N	401.551	3.701	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NC3CCN(C(=O)c4ccncc4)CC3)c2C)c1	745974566	DADVSXRVGPUORG-UHFFFAOYSA-N	416.525	3.832	10	20	HHCD	
COc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3O)C2)c2ccccc12	748349197	BPKLDZGETNISQX-SFHVURJKSA-N	418.493	3.723	10	20	HHCD	
CCSc1ccc(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	752026923	NMVCXMWMRXLFPH-UHFFFAOYSA-N	402.535	3.758	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1	753643366	JJEVEDRJKITWEJ-MGNBDDOMSA-N	409.269	3.645	10	20	HHCD	
CCN(CC(F)F)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	754537029	FQTUYTLAUUYTLM-FMIVXFBMSA-N	404.529	3.843	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br	755086165	NNUODPMBYPVDBM-UHFFFAOYSA-N	406.280	3.624	10	20	HHCD	
COc1ccc(N(C)C(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)cc1F	758320037	YKTGDNMCIHHYPR-DEDYPNTBSA-N	405.429	3.663	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1	761974207	VFPYQPJESCUNRG-MRVPVSSYSA-N	413.199	3.702	10	20	HHCD	
Cc1cc(Br)ncc1NC(=O)NCc1cccc(Br)c1O	765299298	DAOFSAOIHGMMFK-UHFFFAOYSA-N	415.085	3.942	10	20	HHCD	
Cc1ccc2nc(CSCC(=O)NCc3cccc(Br)c3O)cn2c1	765736583	PDNSDFIVMFRXOI-UHFFFAOYSA-N	420.332	3.660	10	20	HHCD	
C[C@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(N2CCOCC2)c(F)c1	765852346	VMGMIUOIVKUKPF-YJBOKZPZSA-N	405.464	3.870	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)cc1	766355988	ITADBVFHDGOHDZ-ROUUACIJSA-N	404.432	3.955	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCc2cccnc21	766638819	YRQXLNSDGJGTEQ-LJQANCHMSA-N	401.457	3.888	10	20	HHCD	
CC(=O)Nc1ccccc1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	766760933	LQWMHUIQASMSSJ-KRWDZBQOSA-N	417.456	3.574	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@@H]34)cc2F)C[C@@H](C)O1	767936206	IIQPUHGAYHYMOI-VNUNYTIWSA-N	423.532	3.824	10	20	HHCD	
C=CC(=O)NCc1ccc(C(=O)N(CC)Cc2cc(Br)ccc2O)cc1	769291327	MPTGMOVQWGHQNJ-UHFFFAOYSA-N	417.303	3.619	10	20	HHCD	
CN(C)c1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1	769927015	DERXKLBVQWTHIK-UHFFFAOYSA-N	404.352	3.642	10	20	HHCD	
COc1ccc(N2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1F	770307391	RTYBUYIWOQWZNZ-UHFFFAOYSA-N	411.380	3.666	10	20	HHCD	
CCn1c(S)nnc1CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772689076	VULUSMXJJXGFCU-UHFFFAOYSA-N	409.519	3.998	10	20	HHCD	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1	772698840	YZHONFAJHKDWPF-HZPDHXFCSA-N	414.531	3.816	10	20	HHCD	
C[C@@H](NC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	773284040	QAEQUTBGEXQZLC-SJORKVTESA-N	404.555	3.760	10	20	HHCD	
Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1Br	773860184	WHDLNPMZBFDFKQ-ZDUSSCGKSA-N	404.308	3.639	10	20	HHCD	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(OC)cc1	775218884	LGTMSKOBEYEOFX-QHCPKHFHSA-N	423.557	3.911	10	20	HHCD	
COc1cc(N[C@H]2CCCN(Cc3cc(OC)c(OC)cc3O)C2)cc(OC)c1	775724936	RWEMLFPOWQVLIU-INIZCTEOSA-N	402.491	3.503	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCCCSc1nccs1	778273917	VHAGMEBISMJABX-JTQLQIEISA-N	406.499	3.921	10	20	HHCD	
CSc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1	780704623	YLKOUPWLRGGXID-UHFFFAOYSA-N	423.541	3.562	10	20	HHCD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)s1	782610803	ARFJHNRKZBFDMP-UHFFFAOYSA-N	418.522	3.750	10	20	HHCD	
CCOc1nc(C)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	790354406	TXYAEKUIMJTYAE-UHFFFAOYSA-N	423.435	3.574	10	20	HHCD	
Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)NCCCSc1nccs1	796910832	OSNAZPLTUFRPEC-UHFFFAOYSA-N	412.540	3.751	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN1C(=O)OCc1ccccc1	797706747	FEBDYKUIEOMBSI-JOCHJYFZSA-N	407.514	3.704	10	20	HHCD	
O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(Br)o1	799636167	JBAVUQKIMLENBA-UHFFFAOYSA-N	413.274	3.859	10	20	HHCD	
COC(=O)[C@@]1(C)CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	800719775	NORMADFDKCFXDY-BTYIYWSLSA-N	407.942	3.671	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)Cc3cncc4ccccc34)CC2)cc1F	805188966	LVQHSZQQINIEDL-KRWDZBQOSA-N	407.489	3.910	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](C)c3nccn3-c3ccccc3)CC2)cc1F	806064973	KIGIWMBIRVEUFA-QGZVFWFLSA-N	423.492	3.613	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC(C)(C)c1cccs1	806425235	VQZZNLJTAAKNHH-UHFFFAOYSA-N	413.587	3.791	10	20	HHCD	
Cn1ncc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1-c1ccccc1	806779096	GWBLFWDOMRVVFM-UHFFFAOYSA-N	407.543	3.962	10	20	HHCD	
CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1	807387104	ZMAYUEZCJGFCMM-UHFFFAOYSA-N	405.292	3.707	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(OCC2CC2)cc1	807512946	CZQRSCNVDNJZTN-UHFFFAOYSA-N	409.269	3.743	10	20	HHCD	
COc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807673094	NHTREDXUQHVVJH-UWJYYQICSA-N	411.546	3.842	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(C)cc2SC)cc1	807867376	AIPDWFINUFEONK-UHFFFAOYSA-N	413.587	3.838	10	20	HHCD	
CCOc1ccc(NCc2cccc(Cl)c2O)cc1S(=O)(=O)N1CCCC1	809682250	IRZPEFHQIZGNTM-UHFFFAOYSA-N	410.923	3.841	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H]1c1nncn1C	812035087	PCZPTCSCEZLCLO-HXUWFJFHSA-N	416.533	3.843	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(F)(F)[C@@H](CO)C3)c2C)c1	812860092	VCMAXCRUAOFQPL-MRXNPFEDSA-N	408.514	3.948	10	20	HHCD	
O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2ccc3ccccc3c2O)CC1	816482458	GXLVSBFPKNVIAR-UHFFFAOYSA-N	414.502	3.581	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1ccc2c(c1)NC(=O)CO2	816566390	UHSQKPHDFDMJJO-UHFFFAOYSA-N	423.513	3.995	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nnc(Cc2ccccc2)s1	915309471	PLEYNWHIWSAVNT-UHFFFAOYSA-N	423.542	3.629	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H](c1ccccc1)C(F)(F)F	918209895	RFRVTHDMFWAOFT-HXUWFJFHSA-N	421.463	3.998	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCn4cccc4[C@H]3C)cc2F)C[C@@H](C)O1	918221364	PALVKCXEAMCPIJ-IXDOHACOSA-N	400.498	3.527	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1	1251882071	PBHUJWXUXDALIC-FQEVSTJZSA-N	414.981	3.600	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1N1CCCC1=O	1319452821	QKDWIULLGSEXJZ-UHFFFAOYSA-N	417.303	3.944	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)CC2)cc1	1324626416	ALKIKTUFVCGYKQ-UHFFFAOYSA-N	409.530	3.839	10	20	HHCD	
C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)NC(C)(C)C	15688188	LSVHMCLKNHMITA-NSHDSACASA-N	413.857	3.575	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(-n4ccnc4SC)cc3)CC2)cc1	108431479	RIEWXVHXAQBLJQ-UHFFFAOYSA-N	422.554	3.955	10	20	HHCD	
O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(N2CCSCC2)cc1	301688838	MQUGTMYINQWLSV-UHFFFAOYSA-N	409.309	3.918	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)n(C)c2ccccc12	472782092	CQCVLKFNLCEGRK-UHFFFAOYSA-N	421.831	3.996	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)COc3ccc(F)cc3F)CC2)cc1	726613654	QADHFTLDBCKKFK-OAHLLOKOSA-N	419.472	3.709	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)CC1	726968214	WGKWTQSBFLRSFI-UHFFFAOYSA-N	419.856	3.601	10	20	HHCD	
CCN1CCN(C[C@@H](C)CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	733170012	IIKAVKHRDJLVSA-KRWDZBQOSA-N	416.997	3.751	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1	734016413	PQXXRFOVMWQLLN-NRFANRHFSA-N	404.466	3.578	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1	734660715	URGTYJACZJJCOZ-JOCHJYFZSA-N	408.546	3.870	10	20	HHCD	
COc1ccc(N2CCC(NC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1	736357614	WGSXTHGGOYKYOS-GOSISDBHSA-N	403.567	3.901	10	20	HHCD	
Cc1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1NS(C)(=O)=O	739754518	LRVFGSOGWWPLEI-UHFFFAOYSA-N	401.532	3.855	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccc(N4CCO[C@H](C)C4)cc3)CC2)cc1	743180824	NXZWNEGAUVFUMQ-GOSISDBHSA-N	424.545	3.711	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@]12CCCc1ccccc12	743314426	MCORXCGOUUZKFU-BWKNWUBXSA-N	408.517	3.697	10	20	HHCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Sc1ccccc1	743553213	HJUYGRPUCMWWOU-INIZCTEOSA-N	403.523	3.642	10	20	HHCD	
Cc1nc(C)c(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	743654838	MIUQWNLIETVMCS-AWEZNQCLSA-N	410.490	3.830	10	20	HHCD	
CCc1nnc(S)n1CCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	743663054	MRSFXTXTBXOLGF-UHFFFAOYSA-N	417.966	3.549	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(N2CCOC2=O)cc1	743808690	BYGWGAZNAVOCFC-UHFFFAOYSA-N	419.275	3.774	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccc([N+](=O)[O-])cc1	745736562	HNYMUAOWVPRNMX-UHFFFAOYSA-N	422.279	3.837	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)c3ccc(Oc4ccccc4)o3)CC2)cc1	748704755	XLVVGEWMPJGUOI-UHFFFAOYSA-N	421.497	3.633	10	20	HHCD	
CC(C)(C)n1ccnc1SCC(=O)NCc1ccc(N2CCSCC2)cc1	749574719	YUXNFRDISUTVLY-UHFFFAOYSA-N	404.605	3.600	10	20	HHCD	
Cc1ccc2cccc(S(=O)(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2n1	751120422	HOPAJEYDVMXHDJ-IBGZPJMESA-N	412.511	3.619	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H](C)c2noc(Cc3ccccc3)n2)c1O	751991068	LPTJHSBHMTUEBU-LBPRGKRZSA-N	418.291	3.988	10	20	HHCD	
C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)NCc1ccc2c(c1)CCCN2C	752656921	AHTTWBMUXLZATN-WMZOPIPTSA-N	416.566	3.514	10	20	HHCD	
Cc1cc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)c(C)n1-c1ccccn1	753702291	CKNXBSMTYVLDPA-IEBWSBKVSA-N	411.527	3.515	10	20	HHCD	
Cc1ccc(-n2cnc3c2CCN(Cc2ccc(N4CCOCC4)c(F)c2)C3)cc1	754147620	DERCIRFMCMUPMH-UHFFFAOYSA-N	406.505	3.715	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1	755868054	MLOGCHOQAAVIOD-LJQANCHMSA-N	420.513	3.603	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc2c(cc1O)CCCC2	756442859	RARWBIXWVBVKEM-UTKZUKDTSA-N	407.558	3.824	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@]1(C)Cc2ccccc2C(=O)O1	761751647	IOWUKAQOQUKABM-FQEVSTJZSA-N	418.287	3.675	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1	762447051	QYDHDNHXKPHIOU-UHFFFAOYSA-N	415.465	3.805	10	20	HHCD	
C[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N2CCCCC2)c(F)c1	765836524	PFUSFFPVFPRRAP-QGZVFWFLSA-N	420.550	3.949	10	20	HHCD	
CCO[C@H](C)c1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1	771057514	KAUUTOREUYMCJR-CZUORRHYSA-N	423.966	3.994	10	20	HHCD	
Cc1ccnc(-c2cccc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)c2)n1	772048398	YEAZTZOEGXHASB-UHFFFAOYSA-N	408.845	3.780	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1	772691102	GVYONXOEWCSXLB-VQTJNVASSA-N	407.518	3.761	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(F)cc1I)c1ccc(N(C)C)cc1	772998804	KNLBFRQCJCFIJR-LLVKDONJSA-N	412.246	3.987	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCC3(CC2)CCN(Cc2ccccc2)C3)c1O	774908410	HFDHDAOBVOKXIG-UHFFFAOYSA-N	411.502	3.797	10	20	HHCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)c1	775370973	YIFMSMURRHKVDY-KGLIPLIRSA-N	421.335	3.861	10	20	HHCD	
COc1cccc(CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]2CCCO2)c1	775664178	QLHJBGYPMNWTDS-RUZDIDTESA-N	409.574	3.628	10	20	HHCD	
COCCN1C(=O)CCc2cc(NCc3cccc(Br)c3O)ccc21	778208554	NQOQSQYMAPOSPT-UHFFFAOYSA-N	405.292	3.692	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)C2CC2)cc1	780324518	FVOVULRWCOHKPA-YKSBVNFPSA-N	413.562	3.891	10	20	HHCD	
C[C@H](Sc1ccc(Br)cc1)C(=O)OCC(=O)c1ccc(O)c(O)c1	783060621	GVEKKASOMHQODN-JTQLQIEISA-N	411.273	3.767	10	20	HHCD	
C[C@H](Cc1ccccc1F)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	783222117	LQNFTQRFKFCZBD-GOSISDBHSA-N	423.511	3.802	10	20	HHCD	
C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1	784514460	GYMFHYVBEWHDEH-IXDOHACOSA-N	411.493	3.761	10	20	HHCD	
COC(=O)c1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c(C)cc1C	788338429	VOSINOPNBQHELL-UHFFFAOYSA-N	423.513	3.977	10	20	HHCD	
Fc1cc(CNC[C@H]2CCc3ccccc32)ccc1N1CCN(c2ncccn2)CC1	790049979	RWNKESQKGOZEPH-OAQYLSRUSA-N	417.532	3.762	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2nnn(Cc3ccc(F)cc3F)c2C)cc1	790360080	YKFKBUKCOGLOAW-UHFFFAOYSA-N	413.472	3.689	10	20	HHCD	
COc1ccc(CNC(=O)COc2ccc(C3SCCCS3)cc2)c(O)c1	794388966	DLDHTISFENCWCX-UHFFFAOYSA-N	405.541	3.965	10	20	HHCD	
C[C@H](NCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1O	798181116	QDMAOIDWUDLOEP-INIZCTEOSA-N	421.463	3.801	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3c(F)cccc3SC)CC2)cc(OC)c1OC	798497240	HQHGQWJBNWRIGM-UHFFFAOYSA-N	420.506	3.536	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3nn(C)c(=O)c4ccccc34)cc2Cl)C1	800046661	AZVTUKHZUAEYSI-OAHLLOKOSA-N	424.932	3.753	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(Cc3ccccn3)ccc2C)c1	802554234	STQPSEMJEPRDFR-MRXNPFEDSA-N	419.481	3.511	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(Br)cc1	803200989	ISXMMFWHPAJQJF-UONOGXRCSA-N	418.335	3.570	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1	804684615	KXPYKHVICWEIJF-OAQYLSRUSA-N	413.949	3.988	10	20	HHCD	
CCCN(CCN1CCCC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	806685709	XFPMUDRUIJZRIW-UHFFFAOYSA-N	424.536	3.774	10	20	HHCD	
CC(C)Cn1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C1CC1	806857377	VPMKKWXUVRIOKU-UHFFFAOYSA-N	423.561	3.612	10	20	HHCD	
C[C@@H](CCOCc1ccccc1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	807607442	OYNXWJAHMHRVHZ-FQEVSTJZSA-N	411.546	3.660	10	20	HHCD	
Cc1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c(OC(C)(C)C)c1	807861296	ABVPYAWCBZCISM-UHFFFAOYSA-N	411.546	3.513	10	20	HHCD	
CC[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1O	810212997	JKFKUECZNPBQRY-CZUORRHYSA-N	413.392	3.620	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC4(CC3)OCCCO4)c2C)cc1	815158493	LVPSGACTAQTGEI-UHFFFAOYSA-N	412.530	3.905	10	20	HHCD	
O=S(=O)(CCN[C@H](CCc1ccccc1)c1ccccc1O)NCc1ccccc1	815567449	YPZONOKUFRNOGM-HSZRJFAPSA-N	424.566	3.775	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)c2ncccc2c1	815638173	PHZJAKIUQWHLMJ-UHFFFAOYSA-N	407.470	3.716	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	918202376	MSPGDEGZXNWPFO-GBESFXJTSA-N	403.542	3.945	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)n[nH]2)o1	918633268	KSYVENVRFVVMGT-HUUCEWRRSA-N	412.465	3.661	10	20	HHCD	
Cc1ccc(-n2ncc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2C)cc1	919968536	DNZXJYIOAMTNKF-UHFFFAOYSA-N	418.541	3.628	10	20	HHCD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1	919969721	XLBUDDULOOGZEM-BEFAXECRSA-N	400.494	3.752	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)SC2=S)cc1	1318172176	URCGXKCRCTXOOV-AQTBWJFISA-N	409.536	3.792	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cocn2)cc1	1795315770	IWZWWOCRIFPNAD-NUZGMZIFSA-N	418.497	3.648	10	20	HHCD	
CC(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1	1811263242	DEDVOUFOSFIAGF-ISKFKSNPSA-N	416.525	3.829	10	20	HHCD	
COc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC(F)F	109180933	FYWFDYAYHFAPJK-AWEZNQCLSA-N	406.429	3.624	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cccnc3SC(F)F)cc2F)CC1	303350393	YEQBTDOAAKHLFM-UHFFFAOYSA-N	424.492	3.607	10	20	HHCD	
COc1cc(N(C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)cc(OC)c1OC	303931014	QPBHCOQCPNLTOY-UHFFFAOYSA-N	414.546	3.805	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N(C)Cc2ccc(Cl)c(F)c2)n(C)c2ccccc12	673315327	YMXZIRWSEHEOJS-UHFFFAOYSA-N	401.869	3.554	10	20	HHCD	
CCOc1ccc(O)c(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1	725845162	QJKDULMOXDXAPB-UHFFFAOYSA-N	400.788	3.796	10	20	HHCD	
Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1C(C)(C)C	726566787	FGSOAOGQFCDADK-UHFFFAOYSA-N	406.477	3.947	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)ccc21	728460250	KBCJRJQLHONDTF-UHFFFAOYSA-N	420.557	3.909	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc(N3CCOC3=O)c2)cc1	728837117	OHPQXMRAOIJIOX-UHFFFAOYSA-N	421.419	3.914	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)c1	728945625	CLIJDSXPKXUEGH-OLZOCXBDSA-N	404.463	3.548	10	20	HHCD	
CCOc1ccccc1NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	730133330	OLXQCLVZXVSFFA-UHFFFAOYSA-N	400.498	3.688	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(N2CCOCC2)c(F)c1	730207537	QEOAFCKZESFILA-UHFFFAOYSA-N	411.521	3.925	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)CC2)cc1	735686871	HGRVOXKGJNJQNA-NQIIRXRSSA-N	403.567	3.758	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H](Cc1ccccc1)C1CC1	736667280	NOTWCHOQKBQOST-DEOSSOPVSA-N	407.558	3.716	10	20	HHCD	
COc1ccc([C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N2CCCC2)cc1	740919158	DNYYHSCNYWGGBG-DEOSSOPVSA-N	420.557	3.708	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)CC2)cc1	741543939	NLFPYUUCGNANEH-UHFFFAOYSA-N	423.557	3.710	10	20	HHCD	
Cc1cc2c(cc1C)O[C@H](C(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)C2	742619393	SOLWURZDIKFKMW-NRFANRHFSA-N	416.468	3.994	10	20	HHCD	
O=[N+]([O-])c1cc(CNCc2ccccc2CN2CCOCC2)ccc1N1CCCCC1	743767789	CPHDYTWZGMDQGB-UHFFFAOYSA-N	424.545	3.707	10	20	HHCD	
O=C(NCCOC1CCCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745716849	OLPYZXLCYIRVJJ-MRXNPFEDSA-N	411.493	3.905	10	20	HHCD	
Cc1ccc(C(=O)OCC(=O)NCCC(c2ccccc2)c2ccccc2)c(O)c1O	750623168	VCAQDOAVYQIKHP-UHFFFAOYSA-N	419.477	3.901	10	20	HHCD	
C[C@@H](NC(=O)NCCOc1ccccc1Cl)c1ccc(N2CCOCC2)cc1	752152898	CFIQNIPHCFBTAF-MRXNPFEDSA-N	403.910	3.616	10	20	HHCD	
COC(=O)c1cnc(NC2CCN(c3ccc(OC)cc3)CC2)cc1C(F)(F)F	753552308	BQSNLFMZJDGIRT-UHFFFAOYSA-N	409.408	3.977	10	20	HHCD	
CN(c1ccc(CNC(=O)NCc2ccc3c(c2)C(=O)NCC3)cc1)C1CCCCC1	754167156	VKTDVYKYOLXSNF-UHFFFAOYSA-N	420.557	3.741	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3ncco3)c2)cc1F	754490665	OGMZSETVZUDHLO-UHFFFAOYSA-N	410.449	3.582	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ncc(C(C)C)s3)cc2)CC1	756093897	CLBUJWZRSGUPMB-UHFFFAOYSA-N	400.548	3.758	10	20	HHCD	
Cc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)n1[C@@H]1CCC[C@H](C)C1	758161878	DCLJVRZDPMORPF-HNAYVOBHSA-N	401.580	3.812	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1Cc2cccc(O)c2C1	759457799	BHYJCUAINTUFSS-HNNXBMFYSA-N	405.292	3.559	10	20	HHCD	
CC(C)(C)OC(=O)NC1CCC(NC(=O)NCCCSc2nccs2)CC1	759582854	QCPYTOZGVKVKEG-UHFFFAOYSA-N	414.597	3.760	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cc2ccccc2nc1Br	760152529	HJVGQESZQSSZPI-UHFFFAOYSA-N	402.248	3.773	10	20	HHCD	
CC(C)c1ccc(-n2ccnc2SCC(=O)NCCc2ccc(O)c(O)c2)cc1	762275638	XPCIRRRPEYLLBN-UHFFFAOYSA-N	411.527	3.858	10	20	HHCD	
C[C@H](CNc1ccccc1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	762652946	AAWBLCLVUPMBAB-KZNAEPCWSA-N	414.525	3.739	10	20	HHCD	
CCOC(=O)c1cccnc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F	762786236	JVWGKSNUEWDIDM-UHFFFAOYSA-N	409.408	3.726	10	20	HHCD	
O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)N(Cc1ccco1)Cc1ccccc1O	764234025	CKGAUWFPEWANNJ-UHFFFAOYSA-N	412.467	3.549	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(OC)cc1	764895844	WSSVGVKJGCNNEK-ISKFKSNPSA-N	423.557	3.719	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@@H](C)c3ccc(-n4ccnc4C)cc3)CC2)cc1	765402334	NJZPORWZXGJCTJ-FQEVSTJZSA-N	419.573	3.662	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1	765651847	ZBHKCWHKXXGTSV-UHFFFAOYSA-N	406.442	3.504	10	20	HHCD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1cccc(Br)c1O	765755893	JKOALLXZHUXBBS-UHFFFAOYSA-N	408.340	3.873	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC(C)(C)C)c1	765859651	QVSOINOHRIQGGH-LBPRGKRZSA-N	404.438	3.533	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@H](Cc3ccccc3)c3ccccc3)cc2)CC1	765977825	JHDWXNAQENVVTN-RUZDIDTESA-N	420.578	3.995	10	20	HHCD	
COc1cccc(CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]2CCCO2)c1	769124050	GIHRKRZPSCDHLU-JOCHJYFZSA-N	414.521	3.852	10	20	HHCD	
Cc1cccc([C@H](O)CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1	769127932	SSZZUTGFZQNICJ-FXAWDEMLSA-N	419.472	3.598	10	20	HHCD	
COc1cc(Br)cc(CN2CCO[C@@]3(CCc4ccccc43)C2)c1O	769486638	VEXGNOGYTJVJCE-FQEVSTJZSA-N	404.304	3.837	10	20	HHCD	
CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cc(NS(C)(=O)=O)ccc1O	770154687	YKYJJGGSEIQKHN-UHFFFAOYSA-N	402.516	3.654	10	20	HHCD	
CN1CC(=O)N(c2cccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)C1=O	770528140	MPILBNPPTRZSCU-UHFFFAOYSA-N	423.473	3.596	10	20	HHCD	
COc1ccc(N2CCCN(Cc3nc(-c4ccc(C)c(OC)c4)no3)CC2)cc1	771796374	PQACXJPDXPLTPK-UHFFFAOYSA-N	408.502	3.775	10	20	HHCD	
Cc1sc(=O)n(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1-c1ccc(F)cc1	773005913	DMPKHFUHYLKHIS-AWEZNQCLSA-N	413.518	3.968	10	20	HHCD	
COc1cccc(-c2noc([C@@H](C)NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)n2)c1	773338803	IQKCVPRHPVOOKQ-LSDHHAIUSA-N	409.490	3.933	10	20	HHCD	
Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2cc(Cl)c(Cl)cc2O)s1	774265476	NGLRDTICVBIIKS-JTQLQIEISA-N	409.360	3.698	10	20	HHCD	
COc1cc(O)c(CN[C@H]2CCN(c3ccc(Br)cc3)C2)cc1OC	776167706	NNIPCWKKSSMQGG-HNNXBMFYSA-N	407.308	3.540	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)cc1	776787244	IMILPYDVXRHSNT-UHFFFAOYSA-N	401.488	3.678	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCN(Cc2ccccc2)C1	778799102	DOPXHTVJVHNSRA-AUSIDOKSSA-N	406.574	3.779	10	20	HHCD	
CN1CC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1	779540323	QUECZJDLSYJAMD-GIWFTPHRSA-N	404.869	3.713	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1csc(-c2ccc(F)c(F)c2)n1	779888070	QWUKKALFENUWMM-UHFFFAOYSA-N	415.465	3.855	10	20	HHCD	
COC(=O)C[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccncc1	786246136	JVNWBHKJXUXJAK-OAQYLSRUSA-N	407.470	3.532	10	20	HHCD	
CN(Cc1ncnn1CC(F)F)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	787097659	CYLPAYXXZMUDDH-UHFFFAOYSA-N	420.508	3.654	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@H](c3ccc(F)cc3)C(C)(C)C)ccc21	788248159	ORCXTKZQSPTCQQ-OAQYLSRUSA-N	411.521	3.728	10	20	HHCD	
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1SC	792703355	VZELGKMMNQCGEY-UHFFFAOYSA-N	408.545	3.787	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)c(O)c1	793057064	CRUZHQMXHMVAKN-UHFFFAOYSA-N	404.264	3.644	10	20	HHCD	
OC[C@H](NCc1cccc(Br)c1O)c1ccccc1OC(F)(F)F	793349645	URSLOZSFJMDMMT-ZDUSSCGKSA-N	406.198	3.877	10	20	HHCD	
COCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCN(C(=O)OC(C)(C)C)CC1	793858277	YSQGGKPHLUFGOY-QGZVFWFLSA-N	419.566	3.594	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c(C)n1-c1ccccn1	794257319	AOAAGTJWIXFNBE-KRWDZBQOSA-N	419.403	3.851	10	20	HHCD	
COc1ccc(CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c(O)c1	794376950	DHUIUHJQFLJYSL-UHFFFAOYSA-N	418.902	3.949	10	20	HHCD	
COc1ccc(CNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c(O)c1	794391371	WOUXGAKUXDFHSC-QFIPXVFZSA-N	420.465	3.685	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2occ3c2CCC3)NC(=O)OC(C)(C)C)cc1	796725366	BFDSLWVMZAOSJP-IBGZPJMESA-N	413.518	3.830	10	20	HHCD	
Cc1nccn1CCCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799882553	VSGSUSCLINSGOS-MRXNPFEDSA-N	403.958	3.971	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccco2)C2CCCC2)cc1F	804851823	QBFPIMXLKBNASO-UHFFFAOYSA-N	415.509	3.853	10	20	HHCD	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	807192505	OQTXGESPDOHKDV-ZEYPLWLESA-N	423.557	3.522	10	20	HHCD	
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807512801	KDPIETOYBDLGBI-UHFFFAOYSA-N	424.284	3.548	10	20	HHCD	
Cc1coc(-c2cccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)n1	807513963	ZNHLSUIINHORJJ-UHFFFAOYSA-N	420.252	3.917	10	20	HHCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H](c1ccccc1)c1nc[nH]n1	808678523	RPGOQSPXWSFSDH-LJQANCHMSA-N	417.435	3.539	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2conc2C2CC2)c(C)n1-c1ccc2c(c1)OCCO2	811317013	ZKVUVRJLVKZDRU-UHFFFAOYSA-N	422.437	3.770	10	20	HHCD	
O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)N(Cc1ccco1)Cc1ccccc1O	813236992	SVJJVBIPEVLLPP-QGZVFWFLSA-N	423.444	3.642	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc2c(F)cccc2c1	815951617	KSIMCBBWDOTZFD-UHFFFAOYSA-N	402.809	3.548	10	20	HHCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cnc(O)c(Br)c1	820006117	JLLXRCBQPSAHPE-UHFFFAOYSA-N	410.231	3.512	10	20	HHCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccccc1OC(F)(F)F	891745609	WEJUVZBWWXPJFV-UHFFFAOYSA-N	409.452	3.742	10	20	HHCD	
COc1ccc(N2CCN(C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)cc1	912760306	WKPLONKVVLBPBS-KRWDZBQOSA-N	411.329	3.564	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C4CC4)[nH]n3)c2C)cc1	913349102	PTMVGVAMAGDEBU-UHFFFAOYSA-N	421.453	3.521	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1	916389946	JPSLNJSRQJPOPA-FQEVSTJZSA-N	412.534	3.524	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc2c(c1)OCO2	916631283	NNPJLILGCYEKJS-UHFFFAOYSA-N	423.391	3.592	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccc(-c4cc(O)nc(C)n4)cc3)CC2)cc1	916684636	QGNLANHOUPFKRS-UHFFFAOYSA-N	419.485	3.520	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN3c4ccccc4C[C@H]3C)cc2F)C[C@@H](C)O1	916967622	QVXNLLDZGFOMMA-KURKYZTESA-N	411.521	3.507	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H](C)S(C)(=O)=O)c(C)n1-c1ccc(C(C)(C)C)cc1	919349183	FGDNOQCFIXIJSQ-INIZCTEOSA-N	419.543	3.551	10	20	HHCD	
CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)o1	919568729	JDGJPBLXFWBVSF-AWEZNQCLSA-N	414.483	3.813	10	20	HHCD	
CN(C)CC(C)(C)CN1C(=O)/C(=C\c2ccc(-c3cnn(C)c3)cc2)SC1=S	1116890233	QTAKJPLJIGTWFY-VCHYOVAHSA-N	414.600	3.876	10	20	HHCD	
C[C@H](N[C@@H](C)c1cc(Br)cc(Cl)c1O)C(=O)NCC(F)(F)F	1321027235	KDSIHNFQKMCZEY-BQBZGAKWSA-N	403.626	3.526	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2ccc3c(c2)CCO3)cc1	1322460059	QNVPOVXODPRZHQ-HSZRJFAPSA-N	408.542	3.828	10	20	HHCD	
CCOc1ccc(N2CCN([C@H](C)C(=O)Nc3ccccc3OC(F)F)CC2)cc1	1341189160	WSSQCYDYDAPMOH-MRXNPFEDSA-N	419.472	3.836	10	20	HHCD	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1	18215190	RDQZZKDYNJZADM-OALUTQOASA-N	423.557	3.851	10	20	HHCD	
COCCCn1cnnc1SCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	96942477	FXBHZSMBIQPBQQ-UHFFFAOYSA-N	402.495	3.836	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1	97220394	GYHLYUMBWBEEKH-UHFFFAOYSA-N	410.905	3.839	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)CCc3nc(-c4ccsc4)no3)CC2)cc1	110359347	SJSHUBAXGVZLJA-UHFFFAOYSA-N	412.515	3.525	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3S(C)(=O)=O)ccc21	481996261	CGNGWKVYUVHVEO-UHFFFAOYSA-N	400.500	3.560	10	20	HHCD	
COc1ccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)cc1OC	535384423	SCRYBKMPEHTEQC-UHFFFAOYSA-N	421.478	3.945	10	20	HHCD	
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(N2CCOCC2)c(F)c1	727263790	ICTVBBUEJRLPMM-RVDMUPIBSA-N	411.864	3.970	10	20	HHCD	
CC(C)C[C@@H](C)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	727667678	PDAOBPPWRSYCSL-GOSISDBHSA-N	413.541	3.631	10	20	HHCD	
CC(C)C[C@H](C)CC(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	727880274	FWCYGPWBNMMYBD-OKZBNKHCSA-N	422.541	3.671	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)cc1F	731363710	LUVGIOQOTIAJKF-SFHVURJKSA-N	414.525	3.759	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C[C@H](C)C(=O)c3ccccc3)cc2F)C[C@@H](C)O1	732758452	MYBCJKFVUOVXNG-OKZBNKHCSA-N	412.505	3.965	10	20	HHCD	
COC(=O)[C@H]1CC12CCN(C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CC2	733848341	NCXOFTMLSPXJQD-OAQYLSRUSA-N	413.562	3.940	10	20	HHCD	
Oc1c(Br)cccc1CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	734843322	JOJGSFRHQATNRD-GOEBONIOSA-N	404.226	3.779	10	20	HHCD	
COc1cc(OC)cc([C@@H](O)CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1	735693365	LRHRFIVWFGKSLD-QFIPXVFZSA-N	412.461	3.714	10	20	HHCD	
Cc1nc(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sc1C	743554990	NYCSMWXWOSVINV-STQMWFEESA-N	406.527	3.512	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O	743622939	BUQHBULGHCOUJC-HXUWFJFHSA-N	424.932	3.711	10	20	HHCD	
Cc1cnc([C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C2CC2)s1	745648981	WESQMOPUJMDJSK-IBGZPJMESA-N	418.538	3.502	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1O	748049914	WYDVUDHFAAJIPD-OAHLLOKOSA-N	417.456	3.907	10	20	HHCD	
CCn1cc(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21	748343723	LWZQZAISNFXSLI-UHFFFAOYSA-N	409.505	3.620	10	20	HHCD	
COc1cc(C)ccc1Oc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1F	748481213	IEZDTPZYZLRRJZ-UHFFFAOYSA-N	424.428	3.896	10	20	HHCD	
CCn1cnnc1-c1ccccc1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1	750597783	GCYCVLPMKWVFIL-UHFFFAOYSA-N	420.517	3.718	10	20	HHCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(Br)sc2C)c1	751318350	MTOYSSPJZLDVOU-QMMMGPOBSA-N	406.323	3.573	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nc(-c2cccnc2)no1	751930823	LEVNVAPTCYRZOP-GFCCVEGCSA-N	407.455	3.679	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)c1c[nH]c2ncccc12	751931261	MTJYASZEUGTDON-GFCCVEGCSA-N	406.467	3.621	10	20	HHCD	
CC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](O)c1c(F)cccc1F	752909368	KCTUNMSZHPIANQ-NQIIRXRSSA-N	403.473	3.659	10	20	HHCD	
CC(C)(C)OC(=O)N(CC(=O)Nc1c(-c2ccccn2)nc2ccccn12)C1CC1	753200057	VHRSXVBNCLQROF-UHFFFAOYSA-N	407.474	3.734	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)ccc21	754538687	WWUFWISFTVKYFZ-HNNXBMFYSA-N	416.477	3.582	10	20	HHCD	
C[C@@H](NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1cc2c(cc1O)CCCC2	756548684	BYXLUTPFLIYCER-JPYJTQIMSA-N	421.585	3.819	10	20	HHCD	
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](C)c1cc(Br)ccc1O	756596916	ILUGFVLPEPTBMA-XIKOKIGWSA-N	416.319	3.644	10	20	HHCD	
COCCS(=O)(=O)c1ccc(CNCc2cc(-c3ccccc3)ccc2O)cc1	758501498	LABVXBIQVQOSPY-UHFFFAOYSA-N	411.523	3.769	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H](c1ccccc1)C1CCOCC1	761357360	ZVSVWZLXUYSUFH-OAQYLSRUSA-N	414.889	3.978	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1=Cc2cc(F)ccc2OC1	761410206	DTTCHBCBJWFDST-UHFFFAOYSA-N	418.415	3.988	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)N(C)Cc2ccccc2O)cc1Cl	761746199	RDSOVXRFVMGJPC-UHFFFAOYSA-N	402.907	3.685	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1	762730389	ABUOIXHYNBWDLA-NJDAHSKKSA-N	403.567	3.647	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CCc3ccc4c(c3)OCCO4)C2=O)s1	763108183	KHNZNDMIHREWNQ-WJDWOHSUSA-N	419.549	3.972	10	20	HHCD	
C[C@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N2CCOCC2)cc1Cl	765073116	HKBPMYMQVKTVBW-GJZGRUSLSA-N	405.892	3.711	10	20	HHCD	
Cc1cc(C(=O)N(C)CCNC(=O)C(C)C)c(C)n1-c1ccc(Br)cc1	768020776	FVVZXVDPRRHEBQ-UHFFFAOYSA-N	420.351	3.701	10	20	HHCD	
CCCCC[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	769035683	APTAWLZEKYACJB-PZJWPPBQSA-N	400.567	3.643	10	20	HHCD	
CCOc1ccc(O)c(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1	769204775	TWJPXZRBTUXYOR-MRXNPFEDSA-N	401.482	3.964	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2cccnc2)c(C)n1-c1cccc(Br)c1	772504440	LXPRMBIQCCGDSM-LJQANCHMSA-N	414.303	3.715	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(OCc3noc(C4CC4)n3)cc2)c1O	774938338	VIDFRUZRQXPBFJ-UHFFFAOYSA-N	412.402	3.761	10	20	HHCD	
COCCO[C@H]1C[C@H](CO)CN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1	775203116	JXGJYHCPAFPVND-PXNSSMCTSA-N	407.595	3.833	10	20	HHCD	
COc1ccc([C@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)O)cc1	776650183	CNNRKTKQJVHHPF-NRFANRHFSA-N	408.454	3.667	10	20	HHCD	
Cc1cc(C(=O)N(C)C[C@H](O)C(F)(F)F)c(C)n1-c1cccc(Br)c1	777823923	RKZLCPFHUQULRC-HNNXBMFYSA-N	419.241	3.852	10	20	HHCD	
COc1cccc(Cn2nccc2NC(=O)NCc2ccc(N(C)C)cc2C)c1OC	779462212	PDOLZRHGZBVTPC-UHFFFAOYSA-N	423.517	3.645	10	20	HHCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)cc1	780783239	AWNTUPVIMOPNCX-GGAORHGYSA-N	424.541	3.640	10	20	HHCD	
C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cnn(C(C)(C)C)c1)c1ccc(N)cc1	783484706	GHBBOGMTXVTDEJ-INIZCTEOSA-N	405.502	3.953	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(Cl)cc1	786048253	CUUMZDRHSNCGJV-OAHLLOKOSA-N	411.980	3.908	10	20	HHCD	
C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1c1cccc(F)c1	788911577	PKULQYLNXXWODQ-JTSKRJEESA-N	409.505	3.652	10	20	HHCD	
Cc1cc(-n2cccn2)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	789335426	FOIDKCZGNAGRMT-GOSISDBHSA-N	405.502	3.900	10	20	HHCD	
CC(C)N(C)S(=O)(=O)c1ccc(CNCc2c(O)ccc(Cl)c2F)cc1	790956870	VPUINTZPSLEBTJ-UHFFFAOYSA-N	400.903	3.503	10	20	HHCD	
C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C[C@@H](C)O2	790992169	OGAMKLXOWFGVCO-SAHWJRBASA-N	422.485	3.835	10	20	HHCD	
COc1ccc(Cn2cc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)cn2)cc1	793503870	GXCHMAZGSSBRKT-UHFFFAOYSA-N	401.470	3.995	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)c1ccccc1	794683073	GGZYVYZQVXYTKQ-LJQANCHMSA-N	413.537	3.750	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ncccc3Oc3ccccc3)CC2)cc1F	799679948	GYLCGHOZQOZPGS-UHFFFAOYSA-N	407.445	3.984	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O	802233196	OZXADWYMPGQXOC-SFHVURJKSA-N	417.456	3.788	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C	802610745	OQHXFLXXRFTLHS-UHFFFAOYSA-N	423.513	3.817	10	20	HHCD	
CC[C@@H]1CCc2nc(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)sc2C1	804224243	YQUKKPXTQVDLRL-LLVKDONJSA-N	405.907	3.986	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCOC[C@@H]3[C@H]3CCCO3)cc2Cl)C1	805450704	NRICAFWTCGMHNJ-MAODMQOUSA-N	421.969	3.666	10	20	HHCD	
CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1	806431828	AWWNJIMZBHEZLG-NRFANRHFSA-N	416.566	3.877	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1	812981047	JTHXTBNWRIOOSX-UHFFFAOYSA-N	423.473	3.594	10	20	HHCD	
COc1ccc(CN2C(=O)/C(=C/c3cc(OC)c4c(c3)OCO4)SC2=S)cc1	814289026	HMGQJLOFZDFKAP-MFOYZWKCSA-N	415.492	3.834	10	20	HHCD	
O=C(CN1CCN(Cc2ccc3ccccc3c2O)CC1)Nc1ccccc1Cl	816482461	HBRWWKMUIFZNTG-UHFFFAOYSA-N	409.917	3.955	10	20	HHCD	
O=C(C[C@@H](c1ccccc1)c1ncc[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1	816922076	QEFYCULMZOXKLT-RTWAWAEBSA-N	405.498	3.845	10	20	HHCD	
C[C@H](OCc1ccc(F)cc1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	857471990	DGNWWYOORSPNOS-YWZLYKJASA-N	420.912	3.871	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1n[nH]c(/C=C/c2ccccc2)n1	913611333	XUMQQXUABXMZSZ-SDNWHVSQSA-N	407.543	3.792	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	916607803	SUGLOJGNUWLYKA-PKTZIBPZSA-N	423.557	3.747	10	20	HHCD	
CNC(=O)[C@H]1CCCCN1C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	918083316	VKHHVKSQCIDARG-GOSISDBHSA-N	418.335	3.597	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Cc3cc4ccccc4nc3O)cc2F)C[C@@H](C)O1	918141401	WIGTYWVAURJBMV-HZPDHXFCSA-N	423.488	3.552	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(Cc2cccc(Cl)c2)CC1	918210037	QKHCLESAXYCYAG-UHFFFAOYSA-N	412.965	3.968	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)Nc3cc(Cl)ccc3C)CC2)cc1	58021512	RGEDOEHFQULETA-UHFFFAOYSA-N	402.926	3.601	10	20	HHCD	
Cc1cc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(C)n1-c1ccc(F)cc1	107684545	FRDSDGMYCNHBNB-HSZRJFAPSA-N	420.444	3.540	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cnn(-c4ccccn4)c3C(C)C)CC2)cc1	110477340	OEXXMYJVOCYROQ-UHFFFAOYSA-N	419.529	3.798	10	20	HHCD	
Cc1cccnc1[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)C	303640822	HMNQOSSXOIOZME-JOCHJYFZSA-N	410.562	3.795	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1C	725904076	OQLUPSOPMAGDIQ-UHFFFAOYSA-N	417.509	3.706	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(CC(C)(C)CN(C)C)C1=O)O[C@H](C)C2	727176440	KRVACQVBUKQIPL-HVOBPNNYSA-N	420.600	3.808	10	20	HHCD	
C/C(=C/C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1Cl	727308337	KVLJABTURNNPHS-BBLCHGJFSA-N	411.933	3.761	10	20	HHCD	
C[C@H](NC(=O)NC[C@H](O)c1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1	731499293	XJUSZALBLONGRW-UUOWRZLLSA-N	419.525	3.770	10	20	HHCD	
Cc1cccnc1[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C	734535961	XAFMAJVOXSSAPX-OAQYLSRUSA-N	414.525	3.687	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	734665771	ROROBCKGIDRAIG-PKOBYXMFSA-N	418.582	3.896	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-n3cccn3)ccn2)cc1	735998237	OSPGYXGGZPOXSV-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
Cc1noc(C)c1C[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	738501067	QXXACEVNHFBXJL-ZDUSSCGKSA-N	422.476	3.792	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CN[C@H](c3ccccc3)C(F)(F)F)CC2)cc1	740740982	IPGZBSSTKXWZHJ-OAQYLSRUSA-N	421.463	3.627	10	20	HHCD	
CC(C)CN1CCC(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	743546513	NAKLOIXVSLPDKB-SFHVURJKSA-N	424.536	3.676	10	20	HHCD	
CC(C)c1ncc(Cl)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	743633099	VEWXHLUQUIEXIK-ZIAGYGMSSA-N	420.916	3.936	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1CN1CCCC1=O	745477393	MGXYMZPMKJCQMU-UHFFFAOYSA-N	422.573	3.995	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)[C@H]3CCc4c[nH]nc4C3)c2C)c1	745628609	WPEJAVHHGLLUFB-SFHVURJKSA-N	405.498	3.965	10	20	HHCD	
CCC[C@@]1(C)CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1	745691288	IURIFKRTYMKLGW-XXBNENTESA-N	400.567	3.500	10	20	HHCD	
COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c1	747855778	AYESRMHUENHKIE-UHFFFAOYSA-N	418.496	3.715	10	20	HHCD	
O=C(CCc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1	748700248	JSDGOIMHBRZNRZ-UHFFFAOYSA-N	403.320	3.535	10	20	HHCD	
COc1ccc(-n2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1	754549780	AJVYPMQXFNUXRO-UHFFFAOYSA-N	423.428	3.909	10	20	HHCD	
C[C@@H](N[C@H]1CCN(C2CC2)C1)c1cc(Br)cc(Br)c1O	756531859	AJDVCKAYEKSTFN-KOLCDFICSA-N	404.146	3.805	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1	756597078	KAKNHIWLAYVMQE-DYVFJYSZSA-N	402.878	3.678	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c1	756756920	AOZNISKAPHHXTQ-KBPBESRZSA-N	411.420	3.699	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCC13CCC(CC1)C3)c2[N+](=O)[O-]	757989547	VEEKZKFPLLSWQN-UHFFFAOYSA-N	404.422	3.680	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(F)c1	758814966	OZMLEGOLOHTPHQ-HNNXBMFYSA-N	423.435	3.904	10	20	HHCD	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	759098836	KBJFLNKFIWZKTR-HNNXBMFYSA-N	417.531	3.703	10	20	HHCD	
CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	759598385	WRYZYDXHBPSXEN-AORWBKJGSA-N	409.394	3.630	10	20	HHCD	
COc1cc(N2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc(OC)c1OC	759873722	ZSHLQFPFVOWQOZ-MRXNPFEDSA-N	424.501	3.646	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)c2c1	760430430	ZXQJDYKRMURNBN-VFNWGFHPSA-N	416.518	3.668	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCc2c(F)cccc21	764684900	OZDOUHIHLKRBKI-UHFFFAOYSA-N	423.410	3.953	10	20	HHCD	
O=C(CNc1cccc(C(F)(F)F)c1)NCc1cccc(Br)c1O	765755897	JRQSJIUUCUWKAV-UHFFFAOYSA-N	403.198	3.902	10	20	HHCD	
CCS(=O)(=O)C1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	766666443	LAGPRPRKAASFSM-UHFFFAOYSA-N	412.349	3.707	10	20	HHCD	
CCOc1ccc(OCC)c(NC(=S)NNc2ccc(OC)cc2[N+](=O)[O-])c1	767688501	AHDZRQBPERBLNW-UHFFFAOYSA-N	406.464	3.714	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)oc1C	768159263	LUXHHNRIGUVMNB-GOSISDBHSA-N	401.507	3.958	10	20	HHCD	
CCOc1c(Cl)cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1Cl	768621767	JKGHRKBCUNPVBK-UHFFFAOYSA-N	419.286	3.722	10	20	HHCD	
COC(=O)CCc1csc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1	769011505	GYSUALRHKZIWFA-UHFFFAOYSA-N	416.547	3.903	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@H](C)c3nc4c(s3)CCCC4)CC2)cc1	772445786	IJQGWRNZIJIAJW-QGZVFWFLSA-N	400.592	3.503	10	20	HHCD	
C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(N(C)C)cc1	773622510	FGAYRJPCZUAWLF-INIZCTEOSA-N	412.490	3.975	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F	773747593	BNBNHVCYNYNNMZ-GFCCVEGCSA-N	405.376	3.663	10	20	HHCD	
CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773846300	JKCMEOLKBDPXSK-CYBMUJFWSA-N	423.435	3.986	10	20	HHCD	
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	773860045	YAPWUCYGGPEFHA-MRXNPFEDSA-N	410.518	3.553	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1F	775209137	SXASOPFSXKNNJI-UHFFFAOYSA-N	421.475	3.717	10	20	HHCD	
C[C@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1ccc(N(C)C)cc1	776239554	UIYWPEGGKVASSQ-IBGZPJMESA-N	409.578	3.557	10	20	HHCD	
CCN(C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1)CC(F)(F)F	776250267	TWHKLXZNKCNXMY-HZPDHXFCSA-N	400.489	3.729	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1	785295059	QESWEKDYVOCSQN-CQSZACIVSA-N	424.428	3.715	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)CCCc3ccccc3)cc2)CC1	786260024	UTXKVZZVKZJHSN-FQEVSTJZSA-N	407.558	3.630	10	20	HHCD	
CC[C@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1)c1ccc(F)cc1F	788929405	VQRGMXPNAYGBER-FQEVSTJZSA-N	403.473	3.695	10	20	HHCD	
COc1cccc([C@@H]2C[C@H](C)CN2C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	788933365	PKBCULKKKURGDC-MBSDFSHPSA-N	421.541	3.521	10	20	HHCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(Br)c(C(C)=O)c1	790409964	XUWKDTDGFCGDRB-UHFFFAOYSA-N	414.277	3.557	10	20	HHCD	
CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1	795556092	IKNXLUJAWQNQEU-UHFFFAOYSA-N	416.543	3.973	10	20	HHCD	
O=C(NC[C@@H]1CCC(F)(F)C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	797444737	INKGWWLRMZXRBQ-CYBMUJFWSA-N	403.420	3.991	10	20	HHCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	801595690	IHNLZAKDVULFBH-LJQANCHMSA-N	411.546	3.858	10	20	HHCD	
Cc1cc(C(=O)OC[C@]2(C)CNC(=O)C2)c(C)n1-c1ccc(Br)cc1	802194149	UKRHLPPOFCANTQ-IBGZPJMESA-N	405.292	3.540	10	20	HHCD	
CCOC(=O)N[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)CC(C)C	805180980	NQZIHMAXCVWCBY-CYBMUJFWSA-N	406.310	3.659	10	20	HHCD	
CC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1cc(Cl)cc(Cl)c1O	806134603	ZYJOTKBVXQCDOH-MRXNPFEDSA-N	403.331	3.848	10	20	HHCD	
C[C@@H](Cc1cncc2ccccc12)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	806325229	ONEPVUGCUUDADU-IBGZPJMESA-N	403.526	3.909	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21	806846472	PSAPJVGQYLDPSK-SMIHKQSGSA-N	403.526	3.777	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccccc1	806872774	NOXLKSZAWGZGEZ-MEDUHNTESA-N	408.285	3.692	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)sn1	807075341	WKGYIVGBFPQVNA-LBPRGKRZSA-N	406.939	3.596	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(C(N)=O)c(Cl)n3)cc2Cl)C1	807476241	BTANAXJPJBZIQV-GFCCVEGCSA-N	421.328	3.654	10	20	HHCD	
COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	807677047	KXVUVSXQQHVXTI-JLHGSKIFSA-N	409.530	3.548	10	20	HHCD	
Cn1nc(Br)c2c(NCc3cc(Cl)cc(Cl)c3O)ncnc21	808088882	FFQVMSUCOYJPCH-UHFFFAOYSA-N	403.067	3.750	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3cc(Cl)cc(C)c3O)C2=O)c1	808706560	MUNXPFCXAOMLCK-ORAYPTAESA-N	404.894	3.827	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1	813642349	HBUWQKCKBOCKFD-INIZCTEOSA-N	419.522	3.522	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2cccc(N3CCOCC3)c2)cc1	814468324	CDCAPSNTPAUXGR-UHFFFAOYSA-N	410.562	3.711	10	20	HHCD	
O=C1NC2(CCCC2)C(=O)N1c1cccc(CNCc2cc(Cl)c(F)cc2O)c1	816616541	ZFHVZOAQCPDLHS-UHFFFAOYSA-N	417.868	3.844	10	20	HHCD	
COc1ccc(OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1	821696244	JOKIAJDOYCSLTP-UHFFFAOYSA-N	403.346	3.598	10	20	HHCD	
C[C@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1	916386116	KLMKEILNOMITQL-BGYRXZFFSA-N	424.589	3.703	10	20	HHCD	
CCCC(=O)Nc1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	916513887	HZECEHAPDUCILD-UHFFFAOYSA-N	424.545	3.603	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccc(N(C)C)cc1	917074879	JKOXNJJDKPVUMS-UHFFFAOYSA-N	405.489	3.881	10	20	HHCD	
CSc1cccc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)C(C)(C)C)c2C)c1	917247152	GDTPZLKIFRPLFB-UHFFFAOYSA-N	416.543	3.704	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C	917758289	NSFOQTWVXBGTEL-UHFFFAOYSA-N	423.343	3.864	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@H]2CCC(=O)NC2)c(C)n1-c1ccc(Cl)c(Cl)c1	919339369	ZUUNCYMORKACOK-ZDUSSCGKSA-N	423.296	3.653	10	20	HHCD	
CC(C)COc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	919664423	CCIGFAKTRZJLOM-UHFFFAOYSA-N	409.530	3.917	10	20	HHCD	
C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	920870453	FUMJDHARKIMKDW-NRFANRHFSA-N	422.573	3.502	10	20	HHCD	
CCOC(=O)/C=C\c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	920871445	KOUAOPNOHQUONZ-UNIWTGHVSA-N	423.513	3.982	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1	920872504	UVMICWGRNDKTTN-SFHVURJKSA-N	422.529	3.528	10	20	HHCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1	921049072	JYSAIXPVKKTOQU-UHFFFAOYSA-N	416.949	3.936	10	20	HHCD	
COc1ccc([C@@H]2CCCN2Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1OC	1116436756	AAWGCNHNORZHAV-NRFANRHFSA-N	413.537	3.932	10	20	HHCD	
COCCNC(=O)C1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	1319306089	YHHMWUIWARVLIG-UHFFFAOYSA-N	423.517	3.515	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)/C=C\c2nccs2)NC(=O)OC(C)(C)C)cc1	1346279227	ZRBPIEXOHYOVIM-MQNTZWLQSA-N	416.547	3.605	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2C[C@@H]2F)C3)cc1	1800513970	ALJQHYFRQMAGER-KVEDYDLGSA-N	409.505	3.704	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)N[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1	108092891	MOSUYEAILSEQEV-DEOSSOPVSA-N	413.537	3.860	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccnc(OCc2ccccc2)c1	115703722	WJKKLCBIVBUHRN-UHFFFAOYSA-N	421.472	3.566	10	20	HHCD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	195613019	IAKRQEJIBSXCFW-SFHVURJKSA-N	424.545	3.968	10	20	HHCD	
COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl	301648673	FEBQQSYUNRAFLT-UHFFFAOYSA-N	423.828	3.623	10	20	HHCD	
O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc2nc(S)oc2c1	303700890	OBKYRZHJCUNBRB-UHFFFAOYSA-N	408.527	3.901	10	20	HHCD	
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCc3c(C)c4ccccc4n3C)C2)nc1	472225485	QFZFEDLELWJJJN-SFHVURJKSA-N	419.529	3.750	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1	728222311	FMXYMONIECCJDP-IBGZPJMESA-N	409.530	3.553	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)c1	729536315	YXJBUJPKXRDEME-CYBMUJFWSA-N	400.866	3.743	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1	730120081	ZOYOAFCGYKRRHW-IBGZPJMESA-N	418.582	3.979	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cc(-c4cccs4)on3)cc2F)CC1	730236193	WZEBYAOIRSBSTR-UHFFFAOYSA-N	414.506	3.614	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1N1CCNC1=O	731016883	SMSRUZTYLBOOBN-UHFFFAOYSA-N	406.530	3.691	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)cc3F)cc2)CC1	731131509	LRNKWPVZXATQOL-UHFFFAOYSA-N	403.885	3.970	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1C	731298175	CKSCYTKMECWBML-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)C[C@@H]3CCc4ccccc4C3)CC2)cc1	732534788	WZORRJBRRNEKHA-OAQYLSRUSA-N	421.585	3.519	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c1	732882451	VBUOYGPOQUTQJH-CQSZACIVSA-N	420.531	3.997	10	20	HHCD	
CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	733198483	XVNQXQMTUJYHMA-MRXNPFEDSA-N	402.520	3.796	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NC[C@](C)(O)c3ccc(F)cc3F)cc2)CC1	734012796	LTYUDTANBZRKNC-QHCPKHFHSA-N	417.500	3.908	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1	734702291	VCUKWMBRBVQQDV-SFHVURJKSA-N	422.573	3.548	10	20	HHCD	
COC(=O)[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1	735506404	AHOBFDQQURAIAU-LJQANCHMSA-N	408.420	3.900	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCSCC3)c2C)cc1	735933644	ZVVOSMMPFOEHKV-UHFFFAOYSA-N	415.511	3.750	10	20	HHCD	
COC(=O)c1cc(Cl)cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	737014954	IZWSFHWIRZERSZ-AWEZNQCLSA-N	417.893	3.846	10	20	HHCD	
CCOc1ccc(N(C)CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1	739922952	SNIWDBCEYQSSNG-UHFFFAOYSA-N	423.344	3.572	10	20	HHCD	
COC(=O)COc1cccc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1	742416436	XZCJJECDYMUAPG-UHFFFAOYSA-N	410.514	3.937	10	20	HHCD	
COc1ccc(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1OC	742800904	MNTPHYFXMNIMRM-INIZCTEOSA-N	420.456	3.633	10	20	HHCD	
Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2c(C)noc2n1	742805768	NUZAXOAVHIWCLV-CQSZACIVSA-N	416.428	3.840	10	20	HHCD	
O=C([C@@H]1CCCN(Cc2cccnc2)C1)N(Cc1ccco1)Cc1ccccc1O	743430276	IBARFQGUZMQEIT-OAQYLSRUSA-N	405.498	3.821	10	20	HHCD	
CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C12CCCC2	743554620	JIIDEJMBVDQEKX-UXHICEINSA-N	403.592	3.777	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)COc1ccc(F)cc1F	743808315	UITXIXYFUZLKEZ-UHFFFAOYSA-N	400.219	3.860	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1COc2ccc(OC)cc2C1	743808717	CNIKGMWBFHVHQK-OAHLLOKOSA-N	420.303	3.763	10	20	HHCD	
Cc1cc([C@@H]2CCCN2CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)on1	744387606	CTZBDAOVRQNEIO-FQEVSTJZSA-N	415.449	3.534	10	20	HHCD	
CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	745824883	MFTZVXQYFZUTNM-HKUYNNGSSA-N	401.551	3.884	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CCN(CC(F)F)CC2)cc1	747310503	PICJGTBUOASQNJ-UHFFFAOYSA-N	420.504	3.787	10	20	HHCD	
Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2O)c1	748350517	VSLVBMJAVUIZCS-UHFFFAOYSA-N	410.495	3.740	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cccc(CS(C)(=O)=O)c3)c2C)c1	749245126	QLJGVLRYPQRBSH-UHFFFAOYSA-N	410.539	3.877	10	20	HHCD	
COCCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1	750874521	LCZDBIWCIDDMPQ-QHCPKHFHSA-N	412.530	3.599	10	20	HHCD	
CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1	751237126	NPZFXCUELXSXHZ-UHFFFAOYSA-N	422.616	3.733	10	20	HHCD	
C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1c2ccccc2C[C@@H]1C	751930437	FJGNOZUYMCGRLH-GJZGRUSLSA-N	421.522	3.839	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCc3c[nH]c4c(C)cccc34)CC2)cc1F	753940804	NULBKUWSTNPOHO-UHFFFAOYSA-N	410.493	3.698	10	20	HHCD	
Cc1cc(CC(=O)NCc2ccc3c(c2)C(=O)NCC3)c(C)n1-c1ccc(Cl)cc1	754570095	UBTVSOQGHHEJRV-UHFFFAOYSA-N	421.928	3.892	10	20	HHCD	
C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	756612245	YQIBSIFWNJJERI-SJCJKPOMSA-N	421.400	3.748	10	20	HHCD	
C[C@@H]1C[C@H](NCc2ccc(C(=O)NCCN3CCCC3)cc2)c2c(O)ccc(F)c21	756731761	BLLBBRYCWKHADZ-UZLBHIALSA-N	411.521	3.695	10	20	HHCD	
Cc1oc2c(CN3CCO[C@@H]([C@H]4CCCO4)C3)c(O)ccc2c(=O)c1-c1ccccc1	756864315	XAOPVPBSAGEMCL-FGZHOGPDSA-N	421.493	3.854	10	20	HHCD	
CS(=O)(=O)c1ccc(CNCc2cccc(Br)c2O)cc1Cl	758512361	DEMZZCCOKNVAOR-UHFFFAOYSA-N	404.713	3.501	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1C[C@H](O)c1ccco1	758697743	WMPYQCIHKYAUKZ-UXHICEINSA-N	415.559	3.631	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCC4(CC3)OCc3ccccc34)CC2)cc1	760163785	HAOSVACBPDRAPQ-UHFFFAOYSA-N	421.541	3.895	10	20	HHCD	
C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	760308695	ZKSBMXZINFLTRC-MRXNPFEDSA-N	410.518	3.860	10	20	HHCD	
O=S1(=O)CCCN1c1ccc(CNCc2cc(Cl)cc(Cl)c2O)cc1	763471028	QXGQJELQYOKWDY-UHFFFAOYSA-N	401.315	3.529	10	20	HHCD	
CC[C@H](CNC(=O)NCc1cccc(Br)c1O)Oc1ccccc1F	764788569	AGMCDQCBLYRNJI-CYBMUJFWSA-N	411.271	3.951	10	20	HHCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(OCCN(C)C)c1	765285724	FEZYJBHVWKTGPZ-SFHVURJKSA-N	415.553	3.578	10	20	HHCD	
COc1ccc(N2CCN(CCN[C@H](C)c3cccc(OC(F)F)c3)CC2)cc1	765401552	MACIEVKKCCCHTE-QGZVFWFLSA-N	405.489	3.769	10	20	HHCD	
C[C@H](NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	765505034	YMPLQDXXTVBESK-MGPUTAFESA-N	410.436	3.806	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cnn1CC(C)C	766367785	PJQOBGXEDFKMIR-IYBDPMFKSA-N	402.514	3.530	10	20	HHCD	
CN1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC[C@H]21	766581939	HBYBBKHWDVTUNV-DYESRHJHSA-N	405.502	3.983	10	20	HHCD	
COc1ccc(N2CCC(Nc3ccc(C)c(NC(=O)CCN(C)C)c3)CC2)cc1	768276575	MVZPLODJESWWHJ-UHFFFAOYSA-N	410.562	3.975	10	20	HHCD	
CCSCc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)no1	769865244	NGCXPXPUQNYCNK-KBPBESRZSA-N	407.511	3.610	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2nc(Cl)cnc2c1	772920539	HBFXZGBNNYDCIB-UHFFFAOYSA-N	418.950	3.949	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773013099	IEPXPZNUBFECQQ-UWJYYQICSA-N	409.530	3.633	10	20	HHCD	
C[C@H](NS(=O)(=O)c1ccc(F)cc1Br)c1ccc(N(C)C)cc1	773086029	BLMMUOYFPSFPKA-NSHDSACASA-N	401.301	3.694	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NC[C@H]2CCCO2)cc1	775234752	KLGAGEATXTYQHZ-GOSISDBHSA-N	410.474	3.620	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C/c3cccc(Br)n3)SC2=S)c1	777912834	PKPNZGAOQKDYNO-WQLSENKSSA-N	421.297	3.948	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1cc(C(N)=O)cs1	780773846	CTGYMLAUENBIIS-UHFFFAOYSA-N	401.532	3.825	10	20	HHCD	
Cc1cc2cc[nH]c2cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	782105934	XOKQLDMOMHWSAS-UHFFFAOYSA-N	403.438	3.942	10	20	HHCD	
Cc1ccc([C@@H](CCn2cncn2)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	783222563	NARRYLBEUDFFIX-HSZRJFAPSA-N	423.536	3.608	10	20	HHCD	
CCc1cnc(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1	784196371	HMTFCIYFHHEUQA-UHFFFAOYSA-N	422.418	3.746	10	20	HHCD	
O=C1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2ccccc21	786410178	RAAKVEMPPISNGT-FXAWDEMLSA-N	412.917	3.887	10	20	HHCD	
CN(C)Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	788421405	ABWQEWSODWNRQK-UHFFFAOYSA-N	401.576	3.559	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2)c2nccs2)cc1	788951429	KBNVLNPQZZKXCU-HXUWFJFHSA-N	422.554	3.511	10	20	HHCD	
Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	789016178	MOWBOLWGHSXKBH-OAHLLOKOSA-N	413.429	3.954	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1	789950696	UQMGUICGDFWNKX-UHFFFAOYSA-N	418.563	3.549	10	20	HHCD	
CCN(C)c1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cn1	790106258	ABMRIEDQXPKYCR-AQTBWJFISA-N	413.568	3.990	10	20	HHCD	
COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)Cc1ccc(N2CCOCC2)cc1	790267085	IVDWYJJMDIEXRG-UHFFFAOYSA-N	419.865	3.508	10	20	HHCD	
CC(C)c1n[nH]c(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)n1	795231422	DLDJBWPHDSFQOV-UHFFFAOYSA-N	409.829	3.714	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@H](N3CCCC3)C[C@H]2C)c(C)n1-c1ccc2c(c1)OCCO2	796427477	IKKKAFABDBBQBX-DYESRHJHSA-N	423.557	3.607	10	20	HHCD	
COc1cc(N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	799330298	CIZWHNLINQRLGN-AWEZNQCLSA-N	409.483	3.743	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC[C@H](S(C)(=O)=O)CC3)c2C)c1	800622967	XAVFDYXZBSRGHU-FQEVSTJZSA-N	402.560	3.750	10	20	HHCD	
C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nccn1-c1ccccc1	806059924	SCICZNJQTNCLEF-LJQANCHMSA-N	419.529	3.612	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1F	806636108	ZNFSMSBDQDWIGI-DLBZAZTESA-N	403.523	3.602	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)cc1F	806877571	AVDOTKCEJICRGE-UHFFFAOYSA-N	417.790	3.819	10	20	HHCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CCO1	808070669	UQFDCUJERAFHSB-IRLDBZIGSA-N	417.594	3.591	10	20	HHCD	
CCNC(=O)COc1ccc(CN[C@H](C)c2cc(Cl)cc(C)c2O)cc1OC	808676387	CERSHPRFEPEPFN-CQSZACIVSA-N	406.910	3.728	10	20	HHCD	
CNC(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1	809659672	WAXHGBNXCWMOEW-UHFFFAOYSA-N	414.097	3.889	10	20	HHCD	
COCCc1nc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)no1	809953551	OEFDLAGMTKGWDC-MRXNPFEDSA-N	400.504	3.593	10	20	HHCD	
Cc1nc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1-c1ccccc1	810388538	YUERBOXVGWKDDX-INIZCTEOSA-N	402.498	3.939	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCCO1	812433450	OSTAWQGLEGKTEI-LJQANCHMSA-N	410.493	3.919	10	20	HHCD	
C[C@H](N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O	815653035	CAKIAGVVNNCWDQ-NJSLBKSFSA-N	401.438	3.842	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3cccs3)cc2F)C[C@@H](C)O1	917021549	ZDKVDHAYKMSHGI-IXDOHACOSA-N	419.566	3.810	10	20	HHCD	
COc1ccc(OC)c([C@@H](C)NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c1	917073848	DFPDHIMNBBQINM-QGZVFWFLSA-N	411.546	3.612	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cn4cccn4)cc3)cc2F)C[C@@H](C)O1	917715876	YBGIGKFFVLMVDI-QZTJIDSGSA-N	422.504	3.614	10	20	HHCD	
Cc1cc(C(=O)Cn2nccc2[N+](=O)[O-])c(C)n1-c1cccc(Br)c1	918159772	BZVPPDBTKMWQCO-UHFFFAOYSA-N	403.236	3.844	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccnc1OCc1ccccc1	919776561	WRLJTQPTFSWQPK-UHFFFAOYSA-N	418.497	3.819	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccn1Cc1ccccc1	919969521	OSAMRNCDDBFFQY-UHFFFAOYSA-N	407.489	3.567	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@]2(F)CCOC2)c(C)n1-c1ccc(OC(F)F)cc1	1322898458	KTPRYUOVYMCOKF-FQEVSTJZSA-N	411.376	3.550	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccccc2OCC(F)(F)F)n(C)c2ccccc12	472806702	JRLFNEKLHSJTSK-UHFFFAOYSA-N	419.403	3.683	10	20	HHCD	
CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1	542923383	WKBAJAMJQVCVMC-UHFFFAOYSA-N	410.518	3.594	10	20	HHCD	
Cc1cc(C(=O)Nc2ccn(CC(=O)N(C)C)n2)c(C)n1-c1ccc(C(C)C)cc1	725754827	HGXKRZNDXLIXDR-UHFFFAOYSA-N	407.518	3.755	10	20	HHCD	
C[C@H](NCc1cc(Br)ccc1O)C(=O)Nc1cccc(N2CCCC2)c1	725851053	IENDSADHVFSGRV-AWEZNQCLSA-N	418.335	3.872	10	20	HHCD	
O=C(NC1CC1)c1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc1	726593794	CEMOFJCGRJXIDR-UHFFFAOYSA-N	402.445	3.656	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)COc3cccc(F)c3)CC2)cc1	726613854	RZRMHYAUQBPRNH-INIZCTEOSA-N	401.482	3.570	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3csc(C(C)C)n3)CC2)cc1	726620110	WYYHEETYAVOEAH-UHFFFAOYSA-N	402.564	3.786	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1[N+](=O)[O-]	727250288	MAJXHECXTKRGBP-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(N4CCOC4=O)c3)ccc21	728516231	GAYLPAOGBDLHLZ-UHFFFAOYSA-N	421.497	3.791	10	20	HHCD	
CCN(CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C(=O)OC(C)(C)C	728611405	DLGIKCYCNOXSLQ-UHFFFAOYSA-N	417.550	3.891	10	20	HHCD	
C[C@@H](c1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1)N1CCOCC1	729576526	UYDBNQVOQCIJDH-INIZCTEOSA-N	400.498	3.607	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCC(N3CCCC3=O)CC2)cc1)C1CCCCC1	729600931	GLHGGFKPAPTKHB-UHFFFAOYSA-N	412.578	3.752	10	20	HHCD	
COc1cc(F)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC	730667485	YDNRNFPEVWELHI-HNNXBMFYSA-N	404.438	3.762	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1	732752088	AOVDFTOJOVAGSC-UHFFFAOYSA-N	404.536	3.506	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc2ccccc2cc1NS(C)(=O)=O	734405924	NXMNRYRVGKIKST-UHFFFAOYSA-N	411.527	3.516	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(N2CCCCC2)n1	743808893	IMRXCEFXNSPGTJ-UHFFFAOYSA-N	419.323	3.597	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)CN1CCCCC1	745680104	GCYXWXKDWHBGLL-OAHLLOKOSA-N	412.372	3.808	10	20	HHCD	
COc1cccc(CNC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c1O	745751771	YPAYBGBGUDFGOM-UHFFFAOYSA-N	404.894	3.602	10	20	HHCD	
CCCN1CCC(N(C)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	745907121	ZCHHYJBZAZHNOM-KRWDZBQOSA-N	424.536	3.773	10	20	HHCD	
CN(Cc1cc2ccccc2o1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	746757982	JYXPBQOLTFRXKZ-UHFFFAOYSA-N	411.477	3.875	10	20	HHCD	
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)ccc21	749639456	LJJBZQWFAHZNIF-UHFFFAOYSA-N	407.514	3.553	10	20	HHCD	
CN(C)c1ccc(CNC(=O)NCc2cccc(COCC(F)(F)F)c2)cc1F	749873054	VEVTYIGMYFYWTN-UHFFFAOYSA-N	413.415	3.970	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(OCc2ccccc2)nc1)c1ccc(N2CCOCC2)cc1	751108188	NAHWSYCAIZRNIX-LJQANCHMSA-N	417.509	3.988	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2occc2Br)cc1	751366398	YTUDODNMNMXCTQ-MRXNPFEDSA-N	407.308	3.930	10	20	HHCD	
COc1cc2c(cc1/C=C1/SC(=S)N(c3cccc(C(=O)O)c3)C1=O)OCO2	758816568	SIRRLMSIDSKPLT-FRKPEAEDSA-N	415.448	3.528	10	20	HHCD	
COc1ccc(C(=O)CC(C)(C)CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	759368143	CRNCZSXINQEDPC-UHFFFAOYSA-N	424.541	3.837	10	20	HHCD	
CN(C)CC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCC1	760109343	MRIMAIILTFWEGW-UHFFFAOYSA-N	424.536	3.678	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccccc1OCC1CC1	761308737	WXVQKBADWMTHOH-UHFFFAOYSA-N	400.862	3.799	10	20	HHCD	
CC(C)(C)c1nn(Cc2ccccc2)cc1/C=C1\SC(N2CCOCC2)=NC1=O	763289258	IBLUGCHIGADAOL-AQTBWJFISA-N	410.543	3.531	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N2CCCCC2)c(F)c1	765287240	SYMNXSTZLBFGPD-KRWDZBQOSA-N	419.566	3.917	10	20	HHCD	
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1O	765764124	JSIPDSFTWLCXPM-GOSISDBHSA-N	415.328	3.712	10	20	HHCD	
COC(=O)COc1ccc([C@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	768602824	BNNGNXBCSYNOSO-INIZCTEOSA-N	407.470	3.532	10	20	HHCD	
O=C(COc1ccccc1NCc1cc(-c2ccccc2)ccc1O)N1CCOCC1	770604406	TWSASDCSKRHAQE-UHFFFAOYSA-N	418.493	3.909	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C)[C@H](C)[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	771459795	LPMRLRSVHHFNHT-HZPDHXFCSA-N	405.489	3.903	10	20	HHCD	
CC(C)[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1	772113522	YYTJCKIOSKBWEU-LPHOPBHVSA-N	411.493	3.760	10	20	HHCD	
Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773747616	CBBREHPADDUFEP-JTQLQIEISA-N	407.492	3.571	10	20	HHCD	
Oc1c(F)cc(Cl)cc1CN1CCN(Cc2nc(-c3ccccc3)no2)CC1	775654325	YOYBWOSDVKEQKX-UHFFFAOYSA-N	402.857	3.553	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CN[C@@H]1CCN2CCC[C@H]2C1	776019914	SBUWNHDDNNDOBR-OLZOCXBDSA-N	404.146	3.634	10	20	HHCD	
C[C@@H](NC(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(N(C)C)cc1	776244046	DUNAGUUJQZMRRV-GOSISDBHSA-N	408.546	3.760	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H]1Oc1ccccc1	776272125	NGXIWXYCFJQEIM-QZNHQXDQSA-N	405.498	3.844	10	20	HHCD	
Cc1cc(C)n2nc(C(=O)N(Cc3ccccc3O)[C@H](C)c3ccccc3)nc2n1	777822765	LGEOTBWWCWKJSC-QGZVFWFLSA-N	401.470	3.850	10	20	HHCD	
CCOC(=O)N1CCC([C@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	778202303	QZXZJEAIRFWNGC-KRWDZBQOSA-N	418.538	3.932	10	20	HHCD	
COC(=O)[C@H](NCc1cc(Br)cc(C)c1O)c1cc(F)ccc1F	779178340	JIKJQQQSUGPYGV-OAHLLOKOSA-N	400.219	3.745	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1	779511535	QSCBXSCTMNXJTC-VQHVLOKHSA-N	419.481	3.547	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc(O)c2ccccc12	787079006	LMIRVCOPWUVPJL-CQSZACIVSA-N	413.424	3.941	10	20	HHCD	
C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788937888	NYCPSRGRJSZKTH-JPYJTQIMSA-N	405.542	3.733	10	20	HHCD	
CCc1nc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)sc1C	789369638	GMRGNPDELYRNEH-UHFFFAOYSA-N	400.548	3.601	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1c(CC)noc1CC	791249434	GQLPCPMWOQBNSB-UHFFFAOYSA-N	415.534	3.731	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c1O	791905003	GFRWRVLAWGJUCD-UHFFFAOYSA-N	400.475	3.997	10	20	HHCD	
COc1ccc(CNC(=O)COc2ccc(Br)cc2Cl)c(O)c1	794381068	JEECOKUAXFVDSU-UHFFFAOYSA-N	400.656	3.512	10	20	HHCD	
COc1cc(Cl)ccc1CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	796450538	PPZQPHMJMBBEFC-UHFFFAOYSA-N	406.910	3.697	10	20	HHCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@]2(CCOC2)O1	797385117	OFKHYSHEPGTMRW-OFNKIYASSA-N	422.485	3.837	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCCCc3cnn(C)c3)cc2Cl)C1	799915563	BWIWCZTZCQODSE-MRXNPFEDSA-N	403.958	3.742	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1	802610482	BQBMADIHAVJLNW-UHFFFAOYSA-N	416.428	3.904	10	20	HHCD	
CC[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1cccc(Cl)c1O	806134970	OXQCPGHULMBBDA-MRXNPFEDSA-N	403.331	3.718	10	20	HHCD	
Cc1ccccc1C1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCC1	812926176	LUJMCZVJYBVDJI-OAQYLSRUSA-N	419.569	3.825	10	20	HHCD	
Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)nc(N2CCCC2)n1	813886048	UGFFDSVAYBOYKI-QGZVFWFLSA-N	415.969	3.726	10	20	HHCD	
C[C@@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc(C(F)(F)F)c1O	815558297	YRAVUEBFWBEGBU-CYBMUJFWSA-N	413.440	3.706	10	20	HHCD	
CCS(=O)(=O)N1CCC(CN[C@@H](CCc2ccccc2)c2ccccc2O)CC1	815616788	YEFFBTMTAWSEKY-QFIPXVFZSA-N	416.587	3.717	10	20	HHCD	
CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cc2C[C@@H]1C	831878280	ZPNFAKUJYVAYKH-NSHDSACASA-N	419.553	3.970	10	20	HHCD	
COc1ccc(NC(=N)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Cl	849069958	YDKMKEHXRDQMFI-UHFFFAOYSA-N	402.926	3.694	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCOC[C@@H]3CCCO3)c2C)cc1F	915540565	AVHMMQCZNLMHQJ-IBGZPJMESA-N	417.477	3.853	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(F)c(F)c2)cc1	915666419	CNSYHXPWAHJCMB-LJQANCHMSA-N	404.457	3.617	10	20	HHCD	
Cc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C	916457613	IMJVYLOLRIKAHJ-UHFFFAOYSA-N	422.447	3.854	10	20	HHCD	
C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	916565413	CYEXVONXWITMGK-HTAPYJJXSA-N	400.494	3.867	10	20	HHCD	
CCOc1ccccc1CN(CCCn1ccnc1)Cc1cc2c(cc1O)OCO2	916567803	RACLTOKSPMIZIW-UHFFFAOYSA-N	409.486	3.809	10	20	HHCD	
COc1ccc(N2CCCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1	917087787	FJWNDAMBHWNSJM-UHFFFAOYSA-N	407.436	3.865	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(Cl)c(C(F)(F)F)c1	917760674	HKSMTHDLNKMSND-UHFFFAOYSA-N	420.840	3.996	10	20	HHCD	
CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)OC)cc3)n2)cc1	917907181	VVJSMGUYURKRIP-UHFFFAOYSA-N	418.496	3.796	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1	917955106	SGFRFTRMPJYOTD-GOSISDBHSA-N	412.509	3.794	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3C3CCCCC3)cc2)C1	918123334	UNNRCVDBMCGLNO-IRLDBZIGSA-N	412.578	3.643	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1	920924499	COBRPNFADXHZGP-CYBMUJFWSA-N	422.312	3.646	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnc(Cn4cncn4)o3)c2C)c1	921160599	LIPXAFHNXBBFRW-UHFFFAOYSA-N	422.514	3.709	10	20	HHCD	
COc1ccc([C@H]2CCCN2Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1OC	1116436757	AAWGCNHNORZHAV-OAQYLSRUSA-N	413.537	3.932	10	20	HHCD	
CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3F)C2=O)cc1	1320068590	LZWRUJQYNPLHAV-NTEUORMPSA-N	411.476	3.774	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)C2CCC2)CC1	1826251360	VOCSIRICLAILIJ-GOSISDBHSA-N	420.937	3.785	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)c(C)n1-c1cccc(F)c1	25976737	LSVHSFYMVSMTSJ-CQSZACIVSA-N	402.466	3.510	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1C(F)(F)F	60763557	HGZMZGNYHSLCLZ-UHFFFAOYSA-N	405.420	3.651	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccccc1)CC1CCOCC1	97570277	IOSOFIXRKQMKLQ-UHFFFAOYSA-N	409.574	3.640	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1C	108540213	ZUCNTAANMCHANA-UHFFFAOYSA-N	412.515	3.811	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2cnn(C(C)C)c2n1	145593722	SISHHIWJJGGPQO-QGZVFWFLSA-N	407.518	3.648	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccc(N4CCOCC4)cc3C)CC2)cc1	195546849	PDRXEQGWKKOGNM-UHFFFAOYSA-N	424.545	3.584	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(F)c1Br	392700190	GHYPWGPTQXGHRW-UHFFFAOYSA-N	407.283	3.697	10	20	HHCD	
COCCn1ccc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1	725754507	VVCUIIJIUCELGG-UHFFFAOYSA-N	417.307	3.952	10	20	HHCD	
CCOc1cc(CNCc2ccc3c(c2)CCO3)ccc1OCC(=O)N1CCCCC1	725853754	VBXWPHLLRJWSGQ-UHFFFAOYSA-N	424.541	3.701	10	20	HHCD	
COCCn1c(C)cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c1C	726196852	DQVOUPGAJVXNIT-QGOAFFKASA-N	401.557	3.590	10	20	HHCD	
CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	729604520	CBHKLWLMPHCJPH-QGZVFWFLSA-N	422.545	3.823	10	20	HHCD	
C[C@@H](NC(=O)NCCc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1	733346215	SQTJZBLMOYCELQ-OAHLLOKOSA-N	405.901	3.919	10	20	HHCD	
CN1C(=O)C[C@@H](C(=O)NCCCSc2nccs2)[C@H]1c1cccc(Cl)c1	734436445	VGPWBMSHHVHXGZ-GDBMZVCRSA-N	409.964	3.615	10	20	HHCD	
COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	734465039	UYHTZQYZUMVUMN-HSZRJFAPSA-N	417.509	3.634	10	20	HHCD	
CC(C)(C)[S@@](=O)CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	735197291	DUVVOXRJZGSSTC-NDEPHWFRSA-N	400.504	3.704	10	20	HHCD	
C[C@H]1c2ccc(F)cc2CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	738461062	UGWCARVRCOQEQO-HNNXBMFYSA-N	401.457	3.630	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCCc3cc4ccccc4o3)cc2F)CC1	740478815	NZXNOIYGOCZHJO-UHFFFAOYSA-N	424.520	3.756	10	20	HHCD	
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cccc(N2CCC(C)CC2)c1	740610029	RHRZUCZINKIDTA-UHFFFAOYSA-N	402.516	3.819	10	20	HHCD	
COc1cc(N(C)Cc2cc3c(cc2Br)OCO3)cc(OC)c1OC	741806248	MGGHUYHHHHPTJI-UHFFFAOYSA-N	410.264	3.840	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]c2ccccc2c1=O	742800749	LYIYWHUNFBXYMB-CQSZACIVSA-N	413.424	3.528	10	20	HHCD	
CC(=O)c1ccc(O)c(CCOC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1	744474337	ROCBGJROYZBRCU-UHFFFAOYSA-N	414.413	3.770	10	20	HHCD	
O=C1/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)NC(=S)N1Cc1ccccc1	746015554	ZZBCHHACFVINLK-QGOAFFKASA-N	422.510	3.843	10	20	HHCD	
Cc1cc(C(=O)N(C)C[C@H](O)COCCOC(C)C)c(C)n1-c1ccc(Cl)cc1	747417605	HUMYUKAMFBOYEQ-FQEVSTJZSA-N	422.953	3.622	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2c(Br)cccc2C1	749443324	LIISOBZRUUMHBK-UHFFFAOYSA-N	416.363	3.532	10	20	HHCD	
CC(=O)c1cc(F)cc(CN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)c1O	750826821	PZPYMIRHKSQIRM-OAHLLOKOSA-N	415.383	3.624	10	20	HHCD	
O=C1CSc2ccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cc2N1	751303205	WPJNVEKDWPBLLZ-UHFFFAOYSA-N	401.451	3.693	10	20	HHCD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	751664629	QFIKSQDRPWYTAG-MRXNPFEDSA-N	424.932	3.761	10	20	HHCD	
CC[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)Oc1ccccc1C	752029657	HEGQIBUUZXIXPO-QFIPXVFZSA-N	411.546	3.831	10	20	HHCD	
CCOc1ccccc1C(F)(F)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	753107805	MMDKENFDXMAEOZ-UHFFFAOYSA-N	404.457	3.925	10	20	HHCD	
COC(=O)c1cc(/C=C2\SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c[nH]1	753136239	CXSQBSDKMDLZHF-SLVCOGOPSA-N	400.481	3.526	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3nc(-c4ccccc4)ns3)CC2)cc1F	753840549	OLXAJZONXUUEDO-UHFFFAOYSA-N	413.478	3.707	10	20	HHCD	
COc1ccc(C(C)(C)CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753931664	UUVGRPLDEVLKKH-UHFFFAOYSA-N	415.509	3.652	10	20	HHCD	
O=C(CNC(=O)c1ccccc1C(F)(F)F)NCc1ccc(N2CCCCC2)cc1	755250020	VMDKXPMXCHYJAW-UHFFFAOYSA-N	419.447	3.742	10	20	HHCD	
C[C@@H](NC[C@@H](O)COc1ccccc1Br)c1cc(F)cc(F)c1O	756761136	RJTJEVCDGUZXOT-ZYHUDNBSSA-N	402.235	3.523	10	20	HHCD	
Cc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)s1	757555111	CGHIEUZSCGPDHM-UHFFFAOYSA-N	417.541	3.870	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(S(C)(=O)=O)cc(C)c2C)cc1	758159313	OYAHJAOKTPBXBS-UHFFFAOYSA-N	402.560	3.825	10	20	HHCD	
CC(C)(C)N(Cc1cccc(F)c1)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	759596337	VZIXJSYXHKAUKQ-CSKARUKUSA-N	401.434	3.621	10	20	HHCD	
CSc1ccccc1NC(=O)CN(C)C(=O)CN(C)c1ccc(OC(C)C)cc1	759929817	YCEMSDDZIBDQQB-UHFFFAOYSA-N	415.559	3.729	10	20	HHCD	
CC(=O)[C@@H]1C[C@H](CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1(C)C	759958756	PCTOVCRANKEDEY-QRQLOZEOSA-N	406.954	3.768	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2nccn3cc(C)nc23)cc1	761830343	HIHFWLBJLAIEFP-UHFFFAOYSA-N	415.497	3.959	10	20	HHCD	
C[C@@H](NC[C@H](O)COc1cccc2ccccc12)c1ccc(N2CCOCC2)cc1	765471403	DXFRRZNUJUYQCZ-XXBNENTESA-N	406.526	3.767	10	20	HHCD	
CC[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H](O)C(F)(F)F	765888956	OYOCYUCNOMXBRT-HOTGVXAUSA-N	408.380	3.859	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H](CO)Cc1ccc(F)cc1	766596448	TZWUIHBSDIVYAB-NRFANRHFSA-N	420.444	3.899	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(C)c3ccncc3)cc2F)C[C@@H](C)O1	768702569	UQCMLCJJNKPOCX-IAGOWNOFSA-N	414.525	3.611	10	20	HHCD	
Fc1cc(CN2CCN(c3ccc4ccccc4n3)CC2)ccc1N1CCOCC1	768895342	BHMTUCSFSOLSTP-UHFFFAOYSA-N	406.505	3.533	10	20	HHCD	
CCSCc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)no1	769865254	NGCXPXPUQNYCNK-ZIAGYGMSSA-N	407.511	3.610	10	20	HHCD	
Cc1cccc([C@@H]2CCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)c1C	769923395	MLWPAQDXVSPPLH-IBGZPJMESA-N	402.516	3.748	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(C)n(-c4ccc(OC)cc4)n3)CC2)cc1	770679892	JASOBGUVATXGJF-UHFFFAOYSA-N	420.513	3.550	10	20	HHCD	
Cc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nn1-c1ccccc1	772586062	XNPLZZOOFHFUQK-UHFFFAOYSA-N	423.492	3.603	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc1F	772672400	IVMUDCGCXHMUJT-UHFFFAOYSA-N	403.408	3.892	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1	772742914	MFAZKARADJECQL-JOCHJYFZSA-N	406.530	3.722	10	20	HHCD	
C[C@@H]1[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CCC[C@H]1C	774758753	REXRKIZMCPYPSM-FGSXEWAUSA-N	411.546	3.815	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c1	775373476	SDEPGWCZBDPZTD-QWHCGFSZSA-N	412.408	3.827	10	20	HHCD	
Cc1nn2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cnc2c1Cl	776082613	JVTWJCGTFIOLJX-UHFFFAOYSA-N	405.892	3.615	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)nn1[C@@H](C)C1CC1	776833290	PYWZHHYZEWLFFU-BBWFWOEESA-N	414.525	3.845	10	20	HHCD	
CC(=O)N1CCN(Cc2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)CC1	777439518	JGCMKJJLHUNRSR-UHFFFAOYSA-N	408.329	3.975	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(O)nc4c(F)cc(C)cc34)CC2)cc1	778635547	YOAKDQCUWIIKGJ-UHFFFAOYSA-N	409.461	3.749	10	20	HHCD	
Cc1cc(C(=O)NCc2csc(O)n2)c(C)n1-c1ccccc1Br	779232593	ZRMOGYDCHKPJBF-UHFFFAOYSA-N	406.305	3.949	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1	779244797	PUWCATCSJZDYDR-MRXNPFEDSA-N	407.436	3.543	10	20	HHCD	
Cc1ccc(F)cc1C(=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	781650699	ONTVFKOYDDUJAI-UHFFFAOYSA-N	406.404	3.703	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(C)n1	782425008	MSGVLKRGPWOTST-UHFFFAOYSA-N	406.486	3.525	10	20	HHCD	
CC[C@H](Sc1ccccc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	785920545	CBRNOUYOBQMEPH-FQEVSTJZSA-N	400.544	3.825	10	20	HHCD	
COCc1cccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	787517768	FZKGNNHLGJFBHU-UHFFFAOYSA-N	410.514	3.516	10	20	HHCD	
CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc(O)cc3C(C)=O)cc2c1C	788754906	XGPGCXONJJPROF-UHFFFAOYSA-N	417.439	3.627	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C)n(C(C)(C)C)n1	791246365	NRXHSFRXHYVERX-UHFFFAOYSA-N	414.550	3.949	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CSCCC(F)(F)F)cc2F)C[C@@H](C)O1	794540942	GWGNUBYZBNKIDM-BETUJISGSA-N	408.461	3.741	10	20	HHCD	
c1ccc(CN2CCc3cc(CNCC4(N5CCCC5)CCOCC4)ccc32)cc1	796292463	YIHNHSBKLSVPDO-UHFFFAOYSA-N	405.586	3.984	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)n2)s1	799636481	QOGQDACIRIUDLW-UHFFFAOYSA-N	421.569	3.937	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CN3C(=O)N[C@@H](Cc4ccncc4)C3=O)cc2Cl)C1	804189321	YTHRMCKXMZNEGL-BEFAXECRSA-N	412.921	3.634	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@H]3COC(=O)N(C)C)ccc21	804656260	AIBZEUIGJDRVDF-IBGZPJMESA-N	415.534	3.597	10	20	HHCD	
CSc1cccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1	806782383	YHSDWZGJDADRNO-ZIAGYGMSSA-N	404.511	3.878	10	20	HHCD	
CNC(=O)CC[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	807388269	SVLUVWOKQILIIR-HXUWFJFHSA-N	421.501	3.948	10	20	HHCD	
COc1cccc(F)c1[C@@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	807623078	WYBHGPSNFQCSJF-MRXNPFEDSA-N	415.509	3.515	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(O)nc2ccc([N+](=O)[O-])cc12	807839422	DLCQOMVBDJYGIU-UHFFFAOYSA-N	408.197	3.791	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNCc1cn(-c2ccccc2Br)nn1	810146862	XVQNXLFILFJYPW-UHFFFAOYSA-N	400.324	3.694	10	20	HHCD	
C[C@H](NC(=O)c1cc(N(C)C)c2ccccc2n1)c1ccc(N2CCOCC2)cc1	810207226	GDBOCZABAOKDFG-KRWDZBQOSA-N	404.514	3.628	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)c(F)c1	914789587	KBEZTLHDYCYSLQ-UHFFFAOYSA-N	417.487	3.807	10	20	HHCD	
COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)CC2)cc1	917208716	OYFXOPKTZUAEMY-FQEVSTJZSA-N	422.573	3.835	10	20	HHCD	
O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	918295603	REXWJYUFAOHWSK-KRWDZBQOSA-N	423.296	3.845	10	20	HHCD	
CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)N1CCCCCC1	920920774	KICRUTVUFKDLNL-REWPJTCUSA-N	416.610	3.784	10	20	HHCD	
CCN(CC)C1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	1318346317	VWEPWUYWNMEBGF-UHFFFAOYSA-N	424.536	3.773	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CO[C@H]2CCOC2)sc(C)c1-c1ccc(F)cc1	1319065924	BFHJDOQVPJKDLG-HNNXBMFYSA-N	407.463	3.783	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCc3nc4ccccc4n3C)ccc21	1322859453	LJEOSTDICFDHRS-UHFFFAOYSA-N	404.514	3.764	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1	1322870449	WUCUJBBQBCQJGH-UHFFFAOYSA-N	404.514	3.850	10	20	HHCD	
Cc1cc(C(=O)Nc2ccnn2-c2ccc(F)cc2)ccc1NC(=O)C1=S=CC=C1	1597379961	QPRNNQIKAYPWHP-UHFFFAOYSA-N	420.469	3.788	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(F)CC2)C3)cc1	1800514088	LGWVMRFNQWXXMB-NUZGMZIFSA-N	409.505	3.848	10	20	HHCD	
C[C@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1	145571223	ABVAVMAXFQKZEI-INIZCTEOSA-N	411.527	3.527	10	20	HHCD	
COCc1nc2n(n1)C[C@H](NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CC2	237278788	SNXBOIMXERWQCS-QGZVFWFLSA-N	400.567	3.830	10	20	HHCD	
C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccc(N2CCOCC2)cc1	237579389	BTKZZFNHLVOMDE-HXUWFJFHSA-N	422.573	3.630	10	20	HHCD	
COC(=O)c1cc(NC(=O)NCc2c(C)c3ccccc3n2C)c(OC)c(OC)c1	467941400	JXZWBZMHGHVWJY-UHFFFAOYSA-N	411.458	3.612	10	20	HHCD	
CCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCN(C(=O)c2ccccc2)CC1	475934126	QZINXLWRDDKQJQ-UHFFFAOYSA-N	421.541	3.811	10	20	HHCD	
CCc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccccc1OC	475956665	KMOXJQXAXQMTFI-UHFFFAOYSA-N	406.486	3.549	10	20	HHCD	
COc1ccc2[nH]cc(C3=CCN(c4cc(C(F)(F)F)nc5ncnn45)CC3)c2c1	521953174	SONKELIKQDWFLK-UHFFFAOYSA-N	414.391	3.927	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(Oc3cccnc3)cc2)n(C)c2ccccc12	564184075	IFMRBYHPEPBQBD-UHFFFAOYSA-N	414.465	3.929	10	20	HHCD	
O=C(CC1CCCCC1)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	726098345	XIXXDZNIFIPJDH-UHFFFAOYSA-N	412.578	3.611	10	20	HHCD	
COCCOc1cccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c1	726195898	BZJLFYHORCYJGL-NBVRZTHBSA-N	400.525	3.551	10	20	HHCD	
CCOC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1	727248508	TYFVMWWHLBZVCP-UHFFFAOYSA-N	423.541	3.861	10	20	HHCD	
COc1ccc(OC)c(NC(=S)NNc2ccc(OCC(F)(F)F)cc2)c1	727292020	ZMXHOTUDBVJWBZ-UHFFFAOYSA-N	401.410	3.958	10	20	HHCD	
COCCOc1ccc(F)cc1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	727590765	FQXRMYVBPFCXKP-UHFFFAOYSA-N	417.481	3.650	10	20	HHCD	
Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1I	728020614	XHBDTSWDHKQWJW-UHFFFAOYSA-N	408.283	3.938	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C\c3cnn(-c4ccc(F)cc4)c3)SC2=S)cc1	728312345	OYIBYNSHIDAPIB-RQZCQDPDSA-N	424.482	3.516	10	20	HHCD	
Cc1nc(CN2CCC(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)CC2)cs1	731605274	HLGMGMVDYFXCBT-UHFFFAOYSA-N	412.603	3.921	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	734191002	NOHCEHPUHAOKHY-QAPCUYQASA-N	404.894	3.588	10	20	HHCD	
COCCCOC1CCN(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1	741790620	JIJLHGLFSZVMMM-UHFFFAOYSA-N	402.510	3.933	10	20	HHCD	
CC(C)c1noc(CCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	742801375	QCXYVZFDTINCEP-CQSZACIVSA-N	408.449	3.512	10	20	HHCD	
CC(C)(C)OC(=O)N(CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CC1CC1	743339190	OGIKDPARCBYZLR-LJQANCHMSA-N	418.534	3.547	10	20	HHCD	
CCOc1ccccc1[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)NC(C)=O	743717837	SCEWQIXEFLYJEN-OAQYLSRUSA-N	410.514	3.553	10	20	HHCD	
Cc1ccnc(Oc2cc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)ccc2C)c1	743880051	PLYIMARWOFXCPD-UHFFFAOYSA-N	418.497	3.812	10	20	HHCD	
COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1C	746340241	CDOJTXLTYGUWGM-CXUHLZMHSA-N	414.508	3.656	10	20	HHCD	
COc1ccc(SCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	749405109	BOSQKACDOJKEQO-UHFFFAOYSA-N	418.534	3.594	10	20	HHCD	
COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)NCCCSc1nccs1	749730192	KXJYKOAFLXUCBQ-UHFFFAOYSA-N	407.561	3.686	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3CCC[C@@H]4CCCC[C@@H]43)sc2n1	749819632	ADRHJELNTWJRKD-GJZGRUSLSA-N	401.532	3.833	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1C	750134268	OXZMRPYEAPNLTL-FQEVSTJZSA-N	422.525	3.777	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1	753364873	NUYNTKWXRFCQFS-UHFFFAOYSA-N	418.582	3.931	10	20	HHCD	
COc1cc(N2CCN(C(=O)N[C@@H](C)C3CCCCC3)CC2)cc(OC)c1OC	759270637	CNNUDZIFOSQCGF-INIZCTEOSA-N	405.539	3.513	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@H](C)[S@](=O)CC2)c(C)n1-c1cccc(Br)c1	760645134	QRORKRNUFUMDAW-HWRSSNJWSA-N	423.376	3.840	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCN(CC2CCCCC2)CC1	761154251	JUQPSMVUGUYDCX-UHFFFAOYSA-N	419.953	3.855	10	20	HHCD	
COc1ccc(C(C)(C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1	761183378	GBXDZEXKIUWTQQ-UHFFFAOYSA-N	402.878	3.796	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1COc2ccc(Cl)cc21	762061690	QAEHXGWDLQPRQW-SFHVURJKSA-N	403.935	3.826	10	20	HHCD	
Cc1ccc(C(=O)NCCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1	765266516	NHABOWGVLKFCFZ-QGZVFWFLSA-N	401.938	3.566	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(CO)(Cc2ccccc2)CC1	770681061	GZOHJZXGRRLCPL-UHFFFAOYSA-N	405.542	3.590	10	20	HHCD	
Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	771054754	WDNRAYUHBCWCON-VQIMIIECSA-N	404.942	3.591	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(C(F)(F)F)cn1	771059018	PBTHXHPRIYCERP-OAHLLOKOSA-N	413.827	3.854	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(C)(C)N3C(=O)c4ccccc4C3=O)cc2)CC1	771332092	URQQZTZTWPPGJW-UHFFFAOYSA-N	419.525	3.614	10	20	HHCD	
CCCN(Cc1nc(N)c2c(C)c(C(=O)OCC)sc2n1)Cc1ccccc1O	772201243	UHUKBAOURFUWFJ-UHFFFAOYSA-N	414.531	3.876	10	20	HHCD	
C[C@H](NC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(N(C)C)cc1	773610008	BRFSAVGBDYBWCS-UGSOOPFHSA-N	411.424	3.745	10	20	HHCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1)c1ccc(N(C)C)cc1	773844474	BNTSAHKOPSKZDI-QGZVFWFLSA-N	418.497	3.543	10	20	HHCD	
C[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(Cl)c(Cl)cc1O	774120614	ASNZYMKDPDPJKB-CQSZACIVSA-N	422.356	3.937	10	20	HHCD	
C[C@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1	775258050	PLIUJRPGCRELBV-YADARESESA-N	407.558	3.710	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1ccccc1O	775491817	LAQARDBSZFXJIN-NRFANRHFSA-N	421.520	3.889	10	20	HHCD	
CC[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cc(Cl)ccc1O	775543928	KHRUKHYCRBJOFP-IBGZPJMESA-N	403.910	3.880	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(C)n1-c1cccc(C(C)C)c1	775574904	ACMVMIFWFQFZOU-UNMCSNQZSA-N	411.546	3.583	10	20	HHCD	
COCc1ccccc1S(=O)(=O)Nc1nc(-c2cc(F)ccc2OC)cs1	778662119	XHTSBICKYWRQJM-UHFFFAOYSA-N	408.476	3.905	10	20	HHCD	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1	779524707	HQBJBVJNMWOMJR-NRFANRHFSA-N	413.587	3.723	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1	780379193	LKWAPHVGDKYEGQ-NRFANRHFSA-N	404.466	3.618	10	20	HHCD	
CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1c1cccc(F)c1O	781863698	LRDYRUJPULVHJM-GOSISDBHSA-N	401.438	3.623	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1	784556741	IYUDKCZORCPRFD-OAHLLOKOSA-N	404.894	3.548	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)C2CC2)cc1	785168474	FKFLGABAEFUBNQ-HXUWFJFHSA-N	401.551	3.937	10	20	HHCD	
Cn1nc(Br)cc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1	785445056	CCZUMFVQZQXOCH-UHFFFAOYSA-N	415.282	3.543	10	20	HHCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1C(=O)N(C)C(C)C	786065265	MSHRBQVVZPQKQT-UHFFFAOYSA-N	424.545	3.634	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)Oc3cccc(C(C)C)c3)cc2)CC1	786661726	YGAIKSJNZCJEGL-IBGZPJMESA-N	423.557	3.562	10	20	HHCD	
CCN(CC)CCOc1ccccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	789834752	HLFXMJHQVITOEL-MRXNPFEDSA-N	401.507	3.571	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1cccnc1OC	789890028	LKPMVWIGJROYCK-UHFFFAOYSA-N	411.483	3.720	10	20	HHCD	
C[C@H](NC(=O)c1cnc(Br)c(Cl)c1)c1ccc(N2CCOCC2)cc1	790334024	YOUDSENMEOIUTH-LBPRGKRZSA-N	424.726	3.825	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(Cc2ccc(F)cc2F)c1C	790516605	CZXCTCHHMPAYCM-UHFFFAOYSA-N	413.472	3.641	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3nccnc3cc2F)cc1	792108728	CLBPQILTCFLNDW-GOSISDBHSA-N	408.477	3.656	10	20	HHCD	
Cc1nc2ccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc2n1C	793115113	COKKZSSISFUOOI-GASCZTMLSA-N	410.493	3.564	10	20	HHCD	
O=S(=O)(NCc1ccccc1O)c1cc(C(F)(F)F)ccc1Br	798439604	XFIVKWWAPGGFSS-UHFFFAOYSA-N	410.211	3.652	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1nc(C2CCC2)cs1	799445954	BUZDANZFUHPSLC-UHFFFAOYSA-N	400.548	3.941	10	20	HHCD	
Cc1csc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1	800636139	GISLQPDLMDFTSZ-GFCCVEGCSA-N	406.939	3.596	10	20	HHCD	
COc1ccc(N2CCN(c3nnc(-c4ccc5ccccc5n4)n3C)CC2)cc1F	800727707	MIAKCJCCZDCXDC-UHFFFAOYSA-N	418.476	3.505	10	20	HHCD	
COCCCOc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC	806623467	OZEJLXDOIIRPEG-UHFFFAOYSA-N	411.502	3.808	10	20	HHCD	
CC(C)(O)c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1	806993116	PWYKPAPVFVUWPH-UHFFFAOYSA-N	410.514	3.920	10	20	HHCD	
C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc([S@](C)=O)cc1	807024077	HNXWSOXNSZNVDS-FORDYWAESA-N	401.315	3.997	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccc2ncsc2c1	807563743	LBJCAJQMTOTWBE-INIZCTEOSA-N	424.570	3.977	10	20	HHCD	
COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1cccc(N2CCCC2)c1	808536850	WVDMXFJCVHZXAE-UHFFFAOYSA-N	423.922	3.708	10	20	HHCD	
C[C@H]1[C@H](NCc2ccc(N3CCOCC3)cc2)[C@H](C)CCN1C(=O)OC(C)(C)C	809718525	VCEIEJQWDNSODE-LVCYWYKZSA-N	403.567	3.647	10	20	HHCD	
CC[C@]1(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)OCCc2ccccc21	811868302	TVMXGYWJQXGASJ-KBMIEXCESA-N	423.557	3.762	10	20	HHCD	
N=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCN(Cc2ccccc2)CC1	849077586	KVEGOEADJUXSCI-UHFFFAOYSA-N	407.345	3.978	10	20	HHCD	
CNS(=O)(=O)c1ccc(NCc2ccc(N(C)Cc3cccs3)cc2)cc1	864041711	YUASOOMOAHBDQV-UHFFFAOYSA-N	401.557	3.905	10	20	HHCD	
CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	914907126	RAIDXDORBYATCD-MRXNPFEDSA-N	420.469	3.632	10	20	HHCD	
O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915718315	AVRYMNILZYROMJ-LJQANCHMSA-N	416.437	3.997	10	20	HHCD	
CCC(CC)[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCCC1	916256687	LMDFKRLUIQWQQJ-FCHUYYIVSA-N	417.594	3.983	10	20	HHCD	
Cc1ccc(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c(C)c1	917084632	XOVDRDHEQSNRJT-KDURUIRLSA-N	413.537	3.809	10	20	HHCD	
COCCN(CCOC)C(=O)c1cc(C)n(-c2ccccc2Br)c1C	917897247	BRVSTIAKQQBVOE-UHFFFAOYSA-N	409.324	3.592	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1F	918309823	JLLGATFHRNUPKP-UHFFFAOYSA-N	401.482	3.668	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1	920093474	VXJYPYNGGLWUAK-UHFFFAOYSA-N	419.529	3.640	10	20	HHCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cc(Cl)ccc3C)CC2)cc1	920254067	JRCZDQHCZFTENR-MDZDMXLPSA-N	413.905	3.501	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1c(Cl)ccc2nonc12	1117507474	MJZWFBBXFWTTTF-ZETCQYMHSA-N	401.776	3.994	10	20	HHCD	
COc1ccc(Br)cc1NCc1ccc(N2CCN(C)CC2)c(F)c1	1117995464	NMPSMYVXFHCCAA-UHFFFAOYSA-N	408.315	3.961	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)C3(c4ccccc4C)CCOCC3)CC2)cc1	1322869113	LFRXDUDQYNCOQR-UHFFFAOYSA-N	408.542	3.791	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccns3)C2)cc1	1842323410	YDEGFTREPGLVKI-UHFFFAOYSA-N	420.538	3.681	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccc(OCC(=O)O)cc2)c(C)n1-c1ccc(F)cc1	237732450	ZEYJKEBITVIRNR-UHFFFAOYSA-N	410.445	3.669	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-]	437014143	CAVWLQUFIPRUAW-UHFFFAOYSA-N	405.838	3.509	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1nc(-c2ccc(Cl)cc2)no1	437024202	JHOUIYJDIDQHGB-UHFFFAOYSA-N	412.877	3.814	10	20	HHCD	
COc1ccc(CN2C[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)CC2=O)cc1	726500848	PNDUIOKRAXBXEP-OAQYLSRUSA-N	423.557	3.547	10	20	HHCD	
CCN(CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C	726977942	FWMZAGNCZKIBPA-UHFFFAOYSA-N	406.527	3.932	10	20	HHCD	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	727605041	ZUFSKQPVLXLDOR-UHFFFAOYSA-N	424.589	3.957	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1F	731345779	JDVWENCXUJNWHA-UHFFFAOYSA-N	406.523	3.784	10	20	HHCD	
CSCc1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	731755425	NYSYNKGWWDGRKQ-SFHVURJKSA-N	412.559	3.573	10	20	HHCD	
COCCS(=O)(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1	731919762	FGHXXPRUYYZGIB-UHFFFAOYSA-N	409.508	3.745	10	20	HHCD	
CCc1nnc([C@@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)o1	732312108	KATSFRMKVDCVSU-SNVBAGLBSA-N	410.813	3.979	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(F)cc1I	734402930	SPHVMPLDUBJNAM-UHFFFAOYSA-N	412.246	3.735	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1c(C)nn(Cc2ccccc2)c1C	734655384	NQMKGTJFSVWCHM-UHFFFAOYSA-N	405.546	3.922	10	20	HHCD	
COc1cc(OC)cc([C@H](O)CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1	735693357	LRHRFIVWFGKSLD-JOCHJYFZSA-N	412.461	3.714	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	741097117	LANSBOAUOJEFJG-UHFFFAOYSA-N	424.932	3.571	10	20	HHCD	
COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H]3c3cccc(C)c3)CC2)cc1	742940696	WJZIZVHZQFCEJD-DEOSSOPVSA-N	422.573	3.672	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N2CCOCC2)CCCCC1	745290330	WWWZLQUBPCKZFV-UHFFFAOYSA-N	416.610	3.708	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CCc4ccc(F)cc43)cc2F)C[C@@H](C)O1	746946233	LGJYRYCNNYUMNB-HUUCEWRRSA-N	401.457	3.851	10	20	HHCD	
Cc1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1	747855900	DDVWYZIDIGQTIB-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cccc(C(F)(F)F)c1F	750978251	XRWRVPHLZGDBRX-UHFFFAOYSA-N	412.383	3.726	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccc(N(C)C)cc3F)cc2F)C[C@H](C)O1	751644100	BSHBHLHAWPCTDN-GJZGRUSLSA-N	403.473	3.574	10	20	HHCD	
CCN(C(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1	751930405	DMMICRZMGSRUPX-HNNXBMFYSA-N	409.511	3.915	10	20	HHCD	
CCOC(=O)CC[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	752653375	ZOGGORDDHURNDR-LJQANCHMSA-N	419.591	3.505	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)c1	752977936	OVJKARZMZIHFND-AWEZNQCLSA-N	410.478	3.691	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCc4cc(OC)ccc4C3)CC2)cc1	753156407	YRFHMGGJGVLCJM-HXUWFJFHSA-N	409.530	3.529	10	20	HHCD	
Cc1cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c(C)n1-c1cccc(Br)c1	753761959	RPOFQAFYVMUIGY-YEBMWUKDSA-N	411.365	3.696	10	20	HHCD	
CCC(C)(C)OCc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(OC)ccc1O	755234599	DXSIVMAZMPCREE-OAHLLOKOSA-N	414.502	3.922	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H](c1ccc(C)cc1)n1cncn1	755848694	QUQYIIYFXKCXBV-FCHUYYIVSA-N	406.534	3.520	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	756694853	VRLQGENFDFBHNN-UHFFFAOYSA-N	411.380	3.874	10	20	HHCD	
O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	758357538	TZJUBBCGNVVEFW-CQSZACIVSA-N	422.844	3.879	10	20	HHCD	
COc1cc(N2CCN(CCc3c(F)cccc3Cl)CC2)cc(OC)c1OC	759873136	QEUSUJLUGMXSBZ-UHFFFAOYSA-N	408.901	3.870	10	20	HHCD	
COc1ccc2oc(CN3CCN(c4cc(OC)c(OC)c(OC)c4)CC3)cc2c1	761218476	DVGSEGYPHNVPGD-UHFFFAOYSA-N	412.486	3.789	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H](O)COc3cccc(C(F)(F)F)c3)CC2)cc1	765321039	ATMNXDHZFZZPPY-LJQANCHMSA-N	424.463	3.712	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)C1CCN(Cc2ccccc2)CC1	765735082	DQHDAYSXHHKGJF-UHFFFAOYSA-N	403.320	3.683	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC2)cc1	769138967	MHFOCGIQCNLSJI-LJQANCHMSA-N	419.566	3.673	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1	769334221	VKDIUQFYAMMMLM-IBGZPJMESA-N	408.479	3.556	10	20	HHCD	
CN(CCNCc1cc(-c2ccccc2)ccc1O)S(=O)(=O)c1cccs1	771981136	RMPBEUCENWNPFE-UHFFFAOYSA-N	402.541	3.531	10	20	HHCD	
C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl	772951590	UIWFUMUKOCGUEI-VGOFRKELSA-N	413.949	3.628	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c1O	775011468	KKRKOYYQSUTFLX-MRXNPFEDSA-N	423.510	3.872	10	20	HHCD	
C[C@@H](NCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(N2CCOCC2)cc1	775254518	KCDLASWQVNWWFO-CYBMUJFWSA-N	418.419	3.841	10	20	HHCD	
Cc1ncsc1/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	776788462	DPUFCOYJEULCLP-PLNGDYQASA-N	411.449	3.637	10	20	HHCD	
C[C@@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(N2CCOCC2)cc1Cl	776853106	DRTMBRPGWAMAHP-OAHLLOKOSA-N	403.910	3.604	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	778976457	XSKONQZYNAKPQO-FUHWJXTLSA-N	412.534	3.864	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1N1CCCCC1	779384349	KXYDYXCBXLFRQK-UHFFFAOYSA-N	422.573	3.855	10	20	HHCD	
Cc1cc(F)ccc1-n1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	783044515	BRSKVWZYMVCZBX-KRWDZBQOSA-N	408.477	3.647	10	20	HHCD	
COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1	787045682	YYCFYMZAXLVLRY-OAQYLSRUSA-N	417.937	3.706	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@H](c4ccnn4C)C3)cc2F)C[C@@H](C)O1	790486594	DEYUQDRHCIIQGD-IZBJGVDFSA-N	400.542	3.989	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CCCc2ccc(F)cc21	792880641	AFHWREUYDRGGQH-OAQYLSRUSA-N	415.484	3.803	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)c(O)c1	797389107	PRPAGTVBGDUXQW-UHFFFAOYSA-N	408.907	3.810	10	20	HHCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@]2(CCCOC2)O1	797396801	WXWKURMUOYGOLH-HXOBKFHXSA-N	422.485	3.837	10	20	HHCD	
O=[N+]([O-])c1cc(CNC2CCN(c3nccs3)CC2)ccc1N1CCCCC1	798503505	LDLYXMXLIUXZQH-UHFFFAOYSA-N	401.536	3.800	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2ccc(F)cc2)nc1-c1ccc2c(c1)CCC(=O)N2	799186934	JTSQYKDQQWENHF-UHFFFAOYSA-N	417.487	3.943	10	20	HHCD	
COC(=O)CC1(CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CCOCC1	803572141	JEZJAXHFGBPDQA-UHFFFAOYSA-N	418.921	3.837	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1F	803662486	BVBUHGHLSBEDOQ-UHFFFAOYSA-N	419.500	3.534	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1ccccc1)c1nccs1	804007286	FBNSTXDAYOFJQG-HXUWFJFHSA-N	423.538	3.883	10	20	HHCD	
CCC[C@]1(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCOC1	804537708	CKPUWDIOQFOIOF-QZEGLACASA-N	424.613	3.805	10	20	HHCD	
O=C(NCCCc1ccc2c(c1)OCCO2)NCc1cc(Cl)cc(Cl)c1O	805202294	VUCCKFXTPLGEKF-UHFFFAOYSA-N	411.285	3.902	10	20	HHCD	
O=C(NCc1cccnc1OCC(F)F)NCc1cc(Cl)cc(Cl)c1O	805241810	VDPFXNMLCUFPMG-UHFFFAOYSA-N	406.216	3.737	10	20	HHCD	
C[C@H](NCc1ccncc1OC[C@@H]1CCOC1)c1ccc(Br)cc1O	806659844	HLAMBXLGXHDWMD-UONOGXRCSA-N	407.308	3.816	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1nccs1	807257311	KHGFBTFBNFZLKO-QGZVFWFLSA-N	401.532	3.778	10	20	HHCD	
CC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(F)cc1F	807266256	VEJOTXMPNMCLJZ-OAQYLSRUSA-N	415.484	3.789	10	20	HHCD	
CC(C)[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)c1nncn1C	807431666	HWXZJUDUVLHUJO-FQEVSTJZSA-N	410.522	3.583	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3c4ccccc4O[C@@H]3C)cc2F)C[C@@H](C)O1	808237774	FMZAGBXDCZUMLV-IGMOGCDKSA-N	413.493	3.761	10	20	HHCD	
COc1ccc(N2CCCN(c3nnc(COc4cc(C)cc(C)c4)n3C)CC2)cc1	809807485	OJSLANOXVMTRNM-UHFFFAOYSA-N	421.545	3.736	10	20	HHCD	
Cn1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c(C(F)(F)F)n1	815016768	OWIJWWUKEWHIHL-UHFFFAOYSA-N	417.453	3.668	10	20	HHCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	816498977	ZICFLPOOGDBQRN-KRWDZBQOSA-N	418.944	3.614	10	20	HHCD	
O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)SC(=S)N1c1ccccc1F	824021287	DBIYRLMPCUQSBZ-PXNMLYILSA-N	400.435	3.951	10	20	HHCD	
Cc1noc([C@@H](C)OC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1	913362792	XXYVHUHHFNGZJL-PEHNMLCRSA-N	423.541	3.725	10	20	HHCD	
COc1ccc(S[C@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	916732608	WVQKGMMHYFWGGH-QGZVFWFLSA-N	400.544	3.671	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(=O)O)c3)cc2F)C[C@@H](C)O1	917086027	FOJGCBMARPTRCW-CHWSQXEVSA-N	403.410	3.658	10	20	HHCD	
Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1	917711089	PZZITNJCFOLLFR-KZNAEPCWSA-N	400.494	3.831	10	20	HHCD	
Cc1cc(C(=O)N2CCN(C(=O)c3sccc3-n3c(C)ccc3C)CC2)c(C)o1	918355971	DIUJGYLNKRZOHW-UHFFFAOYSA-N	411.527	3.964	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cc(C(N)=O)cs2)c(C)n1-c1ccc2c(c1)CCC2	920601986	DBRJGAXJBYYUMO-UHFFFAOYSA-N	422.506	3.783	10	20	HHCD	
O=C(Nc1ccc(Cn2cccn2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	921118000	JDLNIRBTEGJZJV-OAQYLSRUSA-N	406.486	3.850	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](Cc4nccn4C)C3)cc2)CC1	1340572987	KSVCDUKMGKPMIG-NRFANRHFSA-N	409.578	3.821	10	20	HHCD	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1	15735066	HPJCMYDBWWIEFU-UHFFFAOYSA-N	411.527	3.905	10	20	HHCD	
Cc1cc(C)n(-c2ccc(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc2)n1	145703422	JPSOLBUYDKIUBH-FQEVSTJZSA-N	418.541	3.746	10	20	HHCD	
Cc1cc(C(=O)N2CCN(CCN3CCCC3)CC2)c(C)n1-c1ccc(Cl)cc1	195676291	KOZWYLYXHUCPIP-UHFFFAOYSA-N	414.981	3.601	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCNC(=O)C[C@H]3c3ccccc3)c2C)cc1	302959508	GFRUJDNZDLVEMU-QHCPKHFHSA-N	417.509	3.806	10	20	HHCD	
CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1	728466931	CPZOHOIKCHNSDR-UHFFFAOYSA-N	420.513	3.632	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN1c1ncnc2sccc12	728516852	XTIJYJXGQXEYFW-LJQANCHMSA-N	407.543	3.577	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)c1	729050990	YHMGQYYACONUHW-OAHLLOKOSA-N	420.469	3.609	10	20	HHCD	
O=C(OCc1nc(C2CC2)no1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	733386787	WFNGOJASPYQTRD-UHFFFAOYSA-N	408.797	3.733	10	20	HHCD	
CC(C)(C)OC(=O)NCC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	740919469	VZEXZKKLJYPJLS-UHFFFAOYSA-N	414.550	3.509	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)cc1	741540273	QIMWMMDHPYTVAO-OAQYLSRUSA-N	403.473	3.695	10	20	HHCD	
COc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)sc(C)c1Br	742597079	LIYHPMWNJPITKX-UHFFFAOYSA-N	401.301	3.963	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c(C)n1-c1ccccn1	742730805	HPUBPQKQGBHGJE-UHFFFAOYSA-N	403.461	3.786	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1	743766235	UYQMBGYMBKWHEI-QHCPKHFHSA-N	409.555	3.522	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1C	745935175	GIHUWZRNYDIWOE-UHFFFAOYSA-N	416.543	3.593	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2C)c1	747207239	ZPVFEUNEPYWZLX-DEOSSOPVSA-N	416.481	3.515	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cc1C	747776847	WPANKWJWJXVROD-UHFFFAOYSA-N	416.590	3.916	10	20	HHCD	
Cc1nc(Cl)sc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	748024984	VNKGGSPKHOFNCA-UHFFFAOYSA-N	419.856	3.890	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](O)c2ccco2)c(C)n1-c1ccc(Br)cc1	749190530	LFLLVTIBVQKYEP-QGZVFWFLSA-N	403.276	3.913	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3cnc4snc(C)c4c3=O)c2C)cc1	752888337	YCVWUENRDIHQLQ-UHFFFAOYSA-N	422.510	3.851	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CCC(=O)c3ccc4c(c3)CCC4)CC2)cc1F	753738911	MWPIMCMRSIRWSA-UHFFFAOYSA-N	410.489	3.635	10	20	HHCD	
COc1ccc(N2CCN(C(=O)NCCc3c[nH]c4cc(C)ccc34)CC2)cc1F	753931756	VSNFOSAKTVGNAE-UHFFFAOYSA-N	410.493	3.698	10	20	HHCD	
CCCNC(=O)c1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	754546956	BZGMJERIQHHXQQ-UHFFFAOYSA-N	412.445	3.854	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)cc1O	756422169	LMCZBNBMXCVRSF-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
OC[C@@H](CNCc1c(O)ccc(Cl)c1F)Cc1cccc(Br)c1	758528416	NMTGXBZJXKFKIY-GFCCVEGCSA-N	402.691	3.888	10	20	HHCD	
CCCOc1cc(F)ccc1NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1	760092181	HEGNXFOYXIOIGC-UHFFFAOYSA-N	401.482	3.668	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC	762588116	NFJVPYRMGVEFNV-SFHVURJKSA-N	409.530	3.758	10	20	HHCD	
O=C1/C(=C/c2ccc(OC[C@H]3CCCO3)cc2)SC(=S)N1Cc1ccon1	764410871	BVXJYOKTXDQXQQ-FNTDYBJHSA-N	402.497	3.634	10	20	HHCD	
C[C@@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	765686785	UVEYVGMXYOXPSU-QRWLVFNGSA-N	412.427	3.763	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1csc(C(C)(C)C)n1	765758205	IAPQHILCNKYTSD-UHFFFAOYSA-N	416.591	3.661	10	20	HHCD	
Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(O[C@H]2CCOC2)c1	766582102	OSDKWPYSHYFWNC-RXVVDRJESA-N	414.521	3.989	10	20	HHCD	
CN1CCC2(CCCN2C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	768948856	FRNPMERAUGLCRR-KRWDZBQOSA-N	422.520	3.527	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)ccc21	769018926	BOKHVLGVBXMUCN-CQSZACIVSA-N	403.523	3.548	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCN1Cc1ccccn1	769292129	RERBHIXGDLGXMO-GOSISDBHSA-N	418.335	3.563	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)c2)CC1	771273727	SBHMZKDJMNOEHB-UHFFFAOYSA-N	405.546	3.526	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)c1	771823916	MBBACYKPPBJHDZ-CYBMUJFWSA-N	418.453	3.546	10	20	HHCD	
Cc1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cnn1C1CCCC1	773639241	JPSAGEKKIJVLPS-UHFFFAOYSA-N	411.550	3.748	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1OCC(F)(F)F	773846348	JYZXWGIOSVLYRA-AWEZNQCLSA-N	423.435	3.818	10	20	HHCD	
CC[C@H](NCCNC(=O)c1cccc(OC)c1)c1cc(Br)ccc1O	775495900	BHMMHJPQDZROJN-KRWDZBQOSA-N	407.308	3.634	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@@H](c3ccc(F)cc3)c3cnn(C)c3)ccc21	776128234	ZNUHNFSRJARCSX-QFIPXVFZSA-N	407.493	3.530	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nn1-c1ccc(Cl)cc1	778248131	QPSYLFPZTHSZEB-UHFFFAOYSA-N	410.905	3.601	10	20	HHCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	778456229	MLRUOCXGIVMCCY-MJGOQNOKSA-N	404.894	3.540	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(=O)[C@H](C)C3(C)C)cc2F)C[C@@H](C)O1	780397613	NZJOHHNQWDAVAF-CBZIJGRNSA-N	404.526	3.697	10	20	HHCD	
CN1CCc2ccc(NC(=O)C(=O)N(Cc3ccccc3O)C3CCCCC3)cc21	782897008	SGIWPRPFBLXITF-UHFFFAOYSA-N	407.514	3.685	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCc2ccccc2)nc1	784029112	XXGAEPZFSKENOW-UHFFFAOYSA-N	419.481	3.744	10	20	HHCD	
O=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(O)c(O)c1	785417288	CFVISNFJYBARBU-UHFFFAOYSA-N	400.390	3.748	10	20	HHCD	
C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	789036678	GVHCXSDJYQCKMK-SFHVURJKSA-N	420.513	3.922	10	20	HHCD	
Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(OC[C@H]2CCCO2)c1	789837380	TZECCPVNCZOJJJ-NVXWUHKLSA-N	400.475	3.717	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)c(Br)cc1F	789845422	PVTCPLNJSOZHQK-MRVPVSSYSA-N	401.207	3.891	10	20	HHCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	792165387	POCWDENMKUAFNR-KRWDZBQOSA-N	418.944	3.614	10	20	HHCD	
COc1ccc(CNC(=O)N[C@H](C)CCc2ccc(Br)cc2)c(O)c1	792841181	KKRIIVKTCPIOBC-CYBMUJFWSA-N	407.308	3.984	10	20	HHCD	
C[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(N2CCCCC2)c(F)c1	793565638	QTFYOOZXMNLAPE-INIZCTEOSA-N	412.509	3.546	10	20	HHCD	
COc1ccc(CNC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c(O)c1	794379828	XMOQZWTUENCUFS-UHFFFAOYSA-N	403.438	3.558	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cc2Cl)C1	799994915	RLHYHJGBTJQMNQ-MAODMQOUSA-N	421.969	3.666	10	20	HHCD	
CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	803662637	LDVHWICWKAGDAY-UHFFFAOYSA-N	405.901	3.599	10	20	HHCD	
CNS(=O)(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1F	804174207	NQUOTBPJDQLZSZ-UHFFFAOYSA-N	419.453	3.533	10	20	HHCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)c3cccc(-n4ccnn4)c3)cc2F)C[C@@H](C)O1	806132403	VVMAJIIKHROGLH-KZNAEPCWSA-N	409.509	3.871	10	20	HHCD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	806190630	BXTBNBLAFZCDGJ-FGSXEWAUSA-N	411.546	3.815	10	20	HHCD	
COc1ccc(Cn2cc(NC(=O)NCc3ccc(N4CCCC4)cc3)cn2)cc1	806433949	XQWBVKZTKYSOOG-UHFFFAOYSA-N	405.502	3.862	10	20	HHCD	
CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc4c(c3)CCN4Cc3ccccc3)[C@H]2C1	808445192	ALUGBUOIALJKGH-SDHOMARFSA-N	403.570	3.986	10	20	HHCD	
COc1cccc2c(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)n[nH]c12	809169297	OYGJKWLQQZLDIE-CYBMUJFWSA-N	416.428	3.572	10	20	HHCD	
C[C@H](Nc1cnn(-c2ccccn2)c(=O)c1Br)c1ccc(N(C)C)cc1	814877543	ZUWBRJFPUVOGHA-ZDUSSCGKSA-N	414.307	3.629	10	20	HHCD	
Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)n[nH]2)cc1C	857439135	DUPKAMQWBKDOCS-UHFFFAOYSA-N	408.477	3.599	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnn4cccnc34)c2C)cc1	883993172	KDOSXVWRGIHQGG-UHFFFAOYSA-N	418.453	3.575	10	20	HHCD	
COc1cc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc2c1O[C@H](C)C2	919895203	GAIUZFFEQGHRTC-QGZVFWFLSA-N	421.541	3.803	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	920866764	KVKDDECUKKZXOE-NZQKXSOJSA-N	422.573	3.548	10	20	HHCD	
CCN(Cc1ccncc1)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1116431254	VSPNFSOQJNPRSZ-INIZCTEOSA-N	413.477	3.706	10	20	HHCD	
CN1CCN(c2ccc(CN3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)cc2F)CC1	1117589138	HKRSHSIQDKYFLM-GPXNEJASSA-N	409.549	3.582	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)[C@@H]3OCCc4sccc43)CC2)cc1	1326311503	NOCZCSQYLQBQNI-KKSFZXQISA-N	400.544	3.746	10	20	HHCD	
Cc1cc[nH]c1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1845398148	FGAUQQUNCLUNIQ-UHFFFAOYSA-N	416.525	3.861	10	20	HHCD	
CCCCOc1ncccc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	139997079	OLLHFLJYCGHZCJ-HXUWFJFHSA-N	413.518	3.857	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1	195565150	ZXXXENDVDJEWSH-UHFFFAOYSA-N	422.573	3.899	10	20	HHCD	
CC(C)c1nc(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cs1	726619406	OPNFTZUXVIEXII-UHFFFAOYSA-N	416.591	3.517	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3cccc(NC(=O)C4CC4)c3)CC2)cc1	726699181	VLMDAGHPTXLMSY-UHFFFAOYSA-N	408.502	3.834	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)nc1-c1ccc(F)cc1	727246401	ODECPYNBYKMCHX-UHFFFAOYSA-N	417.491	3.649	10	20	HHCD	
CCSc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1	727789106	WTOTZIQVOWLHRS-HUUCEWRRSA-N	403.523	3.876	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(-n4ccnc4C)nc3)ccc21	728517461	PHYMLFRTHLRJAB-UHFFFAOYSA-N	417.513	3.724	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccc(OC)cc3)ccc21	728637297	JADPYDPOJSYKMO-UHFFFAOYSA-N	410.470	3.709	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1	728979605	JEXJOFSQYOBJQE-QGHHPUGFSA-N	406.891	3.735	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(I)cc2Cl)c1O	729858942	HGEOWCGTWQJNIO-UHFFFAOYSA-N	417.630	3.589	10	20	HHCD	
COC(=O)C1CCC(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1	730123141	FQRSRJKGIYEBTH-UHFFFAOYSA-N	401.551	3.987	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3cnc(Cl)c(Cl)c3)cc2F)CC1	730194596	NBCIXAWUHCDHEE-UHFFFAOYSA-N	411.308	3.599	10	20	HHCD	
CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1	732525692	BZRPYNRSICIBJF-UHFFFAOYSA-N	401.532	3.570	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c1	734070297	ZGWFZLVSKXWTKC-QFIPXVFZSA-N	416.481	3.876	10	20	HHCD	
Cc1cc(C(=O)CN2CCC[C@@H](N3CCCC3)C2)c(C)n1-c1ccc2c(c1)OCCO2	735870383	VLTPGNGYYCHFTB-OAQYLSRUSA-N	423.557	3.608	10	20	HHCD	
Cc1cc(C(=O)CN2CCN(C[C@H](C)O)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1	739392338	RRGGAZSRYCDGDQ-HNNXBMFYSA-N	424.372	3.582	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1Cc2cc(F)ccc2O1	740656604	JCILTRJBAOUAHS-LJQANCHMSA-N	406.404	3.516	10	20	HHCD	
C[C@H]1CN(Cc2ccccc2NC(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](C)O1	741061038	VDTBBZKNWRNUOB-BGYRXZFFSA-N	420.557	3.994	10	20	HHCD	
Cc1c(Cl)cc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1Cl	741097733	XINCZXWWZOVROO-UHFFFAOYSA-N	404.297	3.933	10	20	HHCD	
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2ccc(N3CCCCC3)cc2)C1	741211540	ICGWNQZFUDHZMY-OAQYLSRUSA-N	414.594	3.761	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(C)c1OCC(=O)N1CCCCC1	741525057	PJKSLGOWEQZGRZ-UHFFFAOYSA-N	423.557	3.691	10	20	HHCD	
COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1-n1cnnn1	741727551	ROSHAYVOBDEQMX-UHFFFAOYSA-N	402.458	3.639	10	20	HHCD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	742644443	GQNUFIFCUNHGNM-XQFWAAQXSA-N	419.585	3.958	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)NC(=O)OC(C)(C)C)cc1	742749694	KENBIHFONKHQTA-UUXHPUJUSA-N	401.551	3.871	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2c(c1)OCCCO2	742805579	MCTQYOSVHMYKNF-MRXNPFEDSA-N	418.440	3.848	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[C@@H]2CCC[C@H](C1)C2=O	742806172	QAJRKXWBLZQVOQ-FCLJQHQZSA-N	406.473	3.768	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@@H](C)N(c4ccccc4)C3=O)cc2)CC1	743600875	SFPUAIVEMZHKGH-AUSIDOKSSA-N	420.557	3.916	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(CC(F)(F)F)c1	743890185	UYRUIOYWJLXQKX-UHFFFAOYSA-N	407.436	3.845	10	20	HHCD	
C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1cccc(F)c1	744473381	DGYNUNCUTBEXGF-CYBMUJFWSA-N	417.392	3.785	10	20	HHCD	
O=C(NCCc1c[nH]c2cc(Cl)ccc12)NCc1ccc(N2CCOCC2)cc1	745178894	CUPAYCPFEYYQLB-UHFFFAOYSA-N	412.921	3.700	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCOc1ccccc1F	745272107	JUMIVQKBVYPYPD-UHFFFAOYSA-N	411.271	3.904	10	20	HHCD	
CN(Cc1nccn1Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1	745576864	LNVQZUQFSINCHZ-UHFFFAOYSA-N	403.530	3.873	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@H](N2CCCC2)C1	745906126	WUXIFHPCEVCOIT-MJGOQNOKSA-N	422.520	3.527	10	20	HHCD	
c1ccc2nc(N3CCOCC3)c(CNCCCSc3nccs3)cc2c1	752266823	ZENGIGUBBWPCSP-UHFFFAOYSA-N	400.573	3.800	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(OCc4ccccc4)ccn3)CC2)cc1F	753729639	CZLAGUNRALYYCQ-UHFFFAOYSA-N	421.472	3.771	10	20	HHCD	
C[C@H](NCCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(Br)c(F)cc1O	756481606	DPQRZCRYPXALGY-MCIONIFRSA-N	403.336	3.834	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(c2ccc(F)cc2Cl)CC1	757036924	ZYTUVUIYUBEUDP-UHFFFAOYSA-N	414.912	3.887	10	20	HHCD	
COc1cc(N2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc(OC)c1OC	759878209	IVXRWKNRXWHXAT-MRXNPFEDSA-N	415.490	3.812	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccn(C)n2)c(C)n1-c1ccc(Br)cc1	760671343	ZDLGCLKIILLQQY-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCc1nc([C@H]2CCCO2)no1	762246117	ZATNDESVNAFHQW-GMCKNXKJSA-N	407.542	3.817	10	20	HHCD	
C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(N2CCOCC2)cc1	762443198	HXJWUJMMDMNONQ-OAHLLOKOSA-N	415.465	3.726	10	20	HHCD	
NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(OC(F)(F)F)c3)c2)CC1	763407060	MBYPEXGIBIOURJ-UHFFFAOYSA-N	407.392	3.539	10	20	HHCD	
Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)cc2)nnn1-c1ccc(Cl)cc1	765283646	VFWSELCTJRNXBB-MRXNPFEDSA-N	411.937	3.917	10	20	HHCD	
CCN(C)Cc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1	765480538	RBSJHICFAQJVKK-UHFFFAOYSA-N	406.324	3.606	10	20	HHCD	
CCCc1nnc(S[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1	768400541	GQPMRTRMYGQCHX-LBPRGKRZSA-N	421.478	3.917	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(OCc2ccccc2F)CC1	768807825	RONYKHGJGQNGBS-UHFFFAOYSA-N	413.537	3.531	10	20	HHCD	
O=C(CCC(=O)c1ccc(Cl)cn1)NCc1ccc(N2CCSCC2)cc1	768978319	JYQZGQDKQKSFKO-UHFFFAOYSA-N	403.935	3.568	10	20	HHCD	
C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(N2CCOCC2)cc1	769061129	DLZAFBGEQQGOEH-KRWDZBQOSA-N	424.501	3.867	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(C)nc1-c1ccncc1	769292804	UJXKFLHFZWGIME-UHFFFAOYSA-N	415.291	3.613	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1	769702279	VMQVYEQPDYQFMX-IBGZPJMESA-N	406.479	3.564	10	20	HHCD	
O=C(CN1CCCCCC1)Nc1cccc(NCc2ccc(N3CCOCC3)cc2)c1	770546795	SHOIDRYXPXXCNS-UHFFFAOYSA-N	422.573	3.950	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2c2ncnc3sc(C)cc23)c1	771012511	MBHWOHAWBAADTA-GUYCJALGSA-N	412.515	3.560	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc(Oc2ccccc2)cn1	773253789	AUVNAEWZHIXTLS-UHFFFAOYSA-N	406.511	3.752	10	20	HHCD	
C[C@@H](NC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O)c1ccc(N(C)C)cc1	775411207	PKOUOWVAKWQCRB-CQSZACIVSA-N	407.436	3.898	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2cc(Br)ccc2O)cc1	775565232	GMLYTIPMPNKZDD-UONOGXRCSA-N	412.349	3.976	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)C2CC2)cc1	776301866	NIEJJKYPGQKQSB-UHFFFAOYSA-N	413.884	3.931	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@H]2COC3(CCOCC3)O2)cc1	777244907	HSQKPTSOSSRMMQ-IBGZPJMESA-N	424.501	3.820	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1nccn1Cc1ccc(Br)cc1	779487066	YZGGYLOBUXNDLO-YWEYNIOJSA-N	414.259	3.757	10	20	HHCD	
Fc1cc(Br)cc2c1CN(Cc1ccc(N3CCOCC3)cc1)CC2	779607883	QEZMJPGHLGMEFM-UHFFFAOYSA-N	405.311	3.983	10	20	HHCD	
COc1cc(N(C)C[C@H](O)COc2ccccc2C(F)(F)F)cc(OC)c1OC	784152514	IHROMMYHYDMTIJ-AWEZNQCLSA-N	415.408	3.607	10	20	HHCD	
COc1ccc(C)cc1CNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	789358844	SGDWYEABEYUXDQ-UHFFFAOYSA-N	423.557	3.705	10	20	HHCD	
CN(C)c1ccc(CNCc2ccc(CS(C)(=O)=O)cc2)c(C(F)(F)F)c1	793042611	HAAXDPCDFBXFNL-UHFFFAOYSA-N	400.466	3.606	10	20	HHCD	
COc1ccccc1CCNC(=O)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	797999792	HJWRTVFFEMVFQH-SFHVURJKSA-N	413.537	3.834	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNS(=O)(=O)CC[C@H]3CCCO3)cc2Cl)C1	800149171	WHLIDJFYQFNBDC-DOTOQJQBSA-N	400.972	3.565	10	20	HHCD	
Cc1nnc(COCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1	803241988	HMCUPIFOELKPDM-CYBMUJFWSA-N	408.955	3.569	10	20	HHCD	
C[C@@H](CCC1CCCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	803308748	JHAGJSSYIWVACY-RBUKOAKNSA-N	415.578	3.566	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2nc3ccccc3s2)cc1	804168271	XXNYBWJZLVAHBM-INIZCTEOSA-N	424.570	3.978	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2c(F)cccc2Cl)cc1F	804851553	GGAIDVSEXKKIQX-UHFFFAOYSA-N	423.891	3.739	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1F	804853852	WOCVPHABKVGFGS-HNNXBMFYSA-N	403.473	3.647	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1	806886769	SYXKTEAPQHFYRP-NSHDSACASA-N	415.471	3.550	10	20	HHCD	
CN1CCC(Oc2ccc(CNC(=O)NCCCSc3nccs3)cc2)CC1	806958775	MLWKJNQNOKYVIC-UHFFFAOYSA-N	420.604	3.598	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C	807095839	FOQRBHGVMVRMSP-HXUWFJFHSA-N	417.500	3.859	10	20	HHCD	
CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1nncn1C	807303846	UYOMCPGZMSDRKX-GOSISDBHSA-N	405.462	3.683	10	20	HHCD	
O=C(COc1ccccc1CNCc1cc(Cl)cc(Cl)c1O)NCC1CC1	809775803	JNVXBAIVHWKPGI-UHFFFAOYSA-N	409.313	3.894	10	20	HHCD	
Oc1c(CNC[C@H](O)COc2ccccc2Br)ccc2ccccc12	816558461	ZUASCGVQKFCHOR-INIZCTEOSA-N	402.288	3.837	10	20	HHCD	
COC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)c1ccc(Br)cc1	816574346	FAWKZMSKVRROOD-OAHLLOKOSA-N	402.647	3.951	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)cc1	843465313	HTPLMPZKFGGPCK-JCMHNJIXSA-N	422.508	3.624	10	20	HHCD	
O=C(NC[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915718314	AVRYMNILZYROMJ-IBGZPJMESA-N	416.437	3.997	10	20	HHCD	
Cc1cc(CCNC(=O)C(=O)Nc2ccc3ncccc3c2)c(C)n1-c1ccccc1	915749196	SEUCIMQOXIUZIU-UHFFFAOYSA-N	412.493	3.940	10	20	HHCD	
CCCCCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)C	917053418	LLNKUJMIDHXDNT-RTBURBONSA-N	407.574	3.956	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1	917927714	FJVHLLIQFNKRCM-UHFFFAOYSA-N	410.923	3.704	10	20	HHCD	
COc1ccc(CN2C(=O)/C(=C/c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1	918199340	VMYNVHBOBCVAKY-BOPFTXTBSA-N	419.549	3.500	10	20	HHCD	
CCN(Cc1nc(O)c2ccccc2n1)C(=O)NCc1ccc(N(CC)CC)cc1	918229786	QWVKZURZCDZWTA-UHFFFAOYSA-N	407.518	3.913	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1	919762798	OHEPPHRLPBWTOA-UHFFFAOYSA-N	416.930	3.951	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Br)cc1	919968139	AVRWUVJWIQXKOJ-UHFFFAOYSA-N	403.320	3.588	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(F)cc(Br)c1	919969435	XZUHVGWNCBGBKI-UHFFFAOYSA-N	421.310	3.727	10	20	HHCD	
O=C(NC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCC1)c1cc(O)nc(O)c1	1790214785	YZVAWYYLZLJPGQ-UHFFFAOYSA-N	421.428	3.693	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccno2)cc1	1795100618	IEQTYIVGEKUAFN-NUZGMZIFSA-N	418.497	3.648	10	20	HHCD	
Cc1cc(C(=O)NCCC(=O)NC(C)C)c(C)n1-c1cccc(Br)c1	56735387	LHGSYRWMURUCRT-UHFFFAOYSA-N	406.324	3.501	10	20	HHCD	
Cc1cc(OC(F)F)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1	303525438	DTURKTJADDCLCQ-UHFFFAOYSA-N	410.486	3.797	10	20	HHCD	
Cc1c(CNC(=O)N2CCC(NC(=O)c3ccsc3)CC2)n(C)c2ccccc12	472233374	MFMAODAHAHNVAK-UHFFFAOYSA-N	410.543	3.652	10	20	HHCD	
COc1cc(Br)cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1	542035791	SJYZAPCKTUVVKO-UHFFFAOYSA-N	406.280	3.955	10	20	HHCD	
CN(CCCNC(=O)N(Cc1ccco1)Cc1ccccc1O)C(=O)OC(C)(C)C	726097565	LENMQEXOMNYGHB-UHFFFAOYSA-N	417.506	3.954	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)CC2)cc1	726562351	IBLORRBRIQMAAQ-QHCPKHFHSA-N	410.514	3.652	10	20	HHCD	
COc1ccc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c(OC)c1OC	727176883	RHTMDUJXYWWSAC-XNTDXEJSSA-N	424.588	3.501	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3ccc(-c4csc(C)n4)cc3)CC2)cc1	730259984	GVPUCIMKXNPRNZ-UHFFFAOYSA-N	423.538	3.855	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1	732114371	FTWAGGZQUCGXNX-UHFFFAOYSA-N	423.473	3.558	10	20	HHCD	
CN1C(=O)C[C@@H](C(=O)NCCCSc2nccs2)[C@@H]1c1cccc(Cl)c1	734436458	VGPWBMSHHVHXGZ-ZBFHGGJFSA-N	409.964	3.615	10	20	HHCD	
CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1Br	735518284	SKWSKLFUWZKRFD-AWEZNQCLSA-N	422.323	3.823	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cc(Br)ccc1F	740905974	ATQJEFIKSKKKKF-UHFFFAOYSA-N	404.283	3.964	10	20	HHCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H](OC1CCOCC1)c1ccccc1	746747256	GEFUYFFUVGVUQL-CPJSRVTESA-N	410.558	3.938	10	20	HHCD	
CN1CCCc2cc(CNC(=O)c3nn(-c4ccccc4F)c4c3CCC4)ccc21	746813145	UPFDFCSZKAQXAJ-UHFFFAOYSA-N	404.489	3.813	10	20	HHCD	
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2O)cc1	748350395	QGXFWQCAKNLSEQ-UHFFFAOYSA-N	414.458	3.571	10	20	HHCD	
COc1cc(Cl)c(Cl)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	749322799	CAYFJISOJPGJOG-UHFFFAOYSA-N	413.276	3.908	10	20	HHCD	
O=S(=O)(c1cnn(Cc2ccccc2)c1)N(Cc1ccccc1O)C1CCCC1	751355642	GTDYALAMADHCAT-UHFFFAOYSA-N	411.527	3.771	10	20	HHCD	
COc1ccc(S[C@@H](C)C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753740819	VYBPSRSHYLHDDR-HNNXBMFYSA-N	404.507	3.672	10	20	HHCD	
CCOc1cc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)ccc1OC	753878562	GKKADHCPAORIHA-UHFFFAOYSA-N	403.454	3.596	10	20	HHCD	
C[C@H](NC(=O)N(CCCO)[C@H]1CCc2ccccc21)c1ccc(N2CCOCC2)cc1	754366113	MFYBUGDCLRMPDL-CYFREDJKSA-N	423.557	3.666	10	20	HHCD	
O=C1/C(=C/c2cn(-c3ccc(F)cc3Cl)nn2)SC(=S)N1c1cccnc1	755573293	TVKONPNIBOQFIJ-CHHVJCJISA-N	417.878	3.861	10	20	HHCD	
Cc1cc(S(C)(=O)=O)cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C	758159801	RILBUZHYENVIHW-UHFFFAOYSA-N	414.571	3.969	10	20	HHCD	
Cc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cs2)n1C	758721433	JKSCIJPSBJNFKD-MRXNPFEDSA-N	410.543	3.785	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N3CCc4ccsc4C3)cc2F)C[C@H](C)O1	760309209	XFUUJFWSGZZFDO-GJZGRUSLSA-N	403.523	3.769	10	20	HHCD	
C[C@H]1CN(c2ccc(CN3C(=O)N(C)C4(CCCCC4)C3=O)cc2F)C[C@H](C)O1	761088213	BPAZQYMXQKZHTC-HOTGVXAUSA-N	403.498	3.536	10	20	HHCD	
COc1ccc(C[C@H](C)CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC	762650586	RSQQSXLEKUMILF-HNNXBMFYSA-N	403.498	3.587	10	20	HHCD	
O=C(NCc1cccc(Br)c1)NCc1cccc(Br)c1O	764768768	SWKDEIXTHSCESX-UHFFFAOYSA-N	414.097	3.917	10	20	HHCD	
CCOc1ccc2c(c1)[C@@H](NC(=O)NCc1cccc(Br)c1O)CCO2	764804338	IVNXEDGJRSZJTN-INIZCTEOSA-N	421.291	3.876	10	20	HHCD	
CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	766550757	SEHIYPOOGUFNNL-HXUWFJFHSA-N	421.501	3.900	10	20	HHCD	
Cc1cc(F)cc2c(=O)c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c[nH]c12	769041661	SBOFSIYBHILXPN-QGZVFWFLSA-N	410.445	3.503	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(N(C)C)cc1	773617667	NLKMUKMDOWFZHV-ORAYPTAESA-N	418.900	3.711	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC3CCN(c4cnccn4)CC3)ccc21	774557688	HXTGBJAJGRVDCE-UHFFFAOYSA-N	422.529	3.768	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1O	775030380	STHLYBJKLFHLOR-INIZCTEOSA-N	420.771	3.502	10	20	HHCD	
CC[C@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1	775259395	ISAHQZWNVHYKJA-UWJYYQICSA-N	413.587	3.771	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	777822652	JMGQBTWXZHWQDC-YJBOKZPZSA-N	420.431	3.893	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1nc(-c2ccco2)sc1C	777828625	MLZCCUUKMNKETR-UHFFFAOYSA-N	420.874	3.886	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1	778620932	TYTGSMNMBYXBEI-MJGOQNOKSA-N	418.582	3.978	10	20	HHCD	
CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	778623566	CXJUCMJSCPJVLW-IIBYNOLFSA-N	417.937	3.752	10	20	HHCD	
C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	779981509	RUFMXUHLLAONBJ-HIFRSBDPSA-N	403.420	3.535	10	20	HHCD	
Cc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(N2CCCC2)n1	781385730	PNGQNAURQYJXAB-OAQYLSRUSA-N	424.545	3.587	10	20	HHCD	
CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	783315422	CXXITBQEYFZNTK-GOSISDBHSA-N	413.566	3.932	10	20	HHCD	
Fc1cc(CNCc2scnc2C2CC2)ccc1N1CCN(c2ncccn2)CC1	785437219	UJLDDJVGZOGDSI-UHFFFAOYSA-N	424.549	3.566	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(C(F)(F)F)cc2C)cc1	788977915	SSYDQDFXYVPOHZ-UHFFFAOYSA-N	421.463	3.793	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C\c2c(F)cccc2OC(F)(F)F)SC1=S	790591407	RFVJKAWSFFJWTK-XYOKQWHBSA-N	423.409	3.879	10	20	HHCD	
CO[C@@]1(C)CCCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1	791841897	GSJINPNKMYIRQN-RYBIEJRYSA-N	424.613	3.757	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cn(-c2cccc(Br)c2)nn1	796012714	ARBACXGOCQICKG-UHFFFAOYSA-N	400.324	3.728	10	20	HHCD	
COC(=O)CCSCc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	797624004	WPKHZYSFKPQXLK-CQSZACIVSA-N	418.515	3.647	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N(C)CCCOCc3ccccc3)CC2)cc1	798399214	ATELEBIYBBDRED-UHFFFAOYSA-N	411.546	3.912	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)NCCCc3cnn(C)c3)cc2Cl)C1	799915561	BWIWCZTZCQODSE-INIZCTEOSA-N	403.958	3.742	10	20	HHCD	
COc1cccc([C@@H](O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1	800572610	ZUPCQZVFGFGELS-QVKFZJNVSA-N	402.922	3.935	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1cc(OC)c(OC)c(OC)c1	801966370	IPIPEBFAYBCOAA-UHFFFAOYSA-N	402.491	3.930	10	20	HHCD	
Cc1cc(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c(C)n1-c1ccccn1	804729638	OPQHOMWJCLCKCM-UHFFFAOYSA-N	412.440	3.856	10	20	HHCD	
CN(C)CC[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)C(C)(C)C	806391887	VFHOMEWLRBZZJH-NRFANRHFSA-N	417.594	3.536	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl	806866633	MIAVLIMMGQBLBD-HNNXBMFYSA-N	415.921	3.555	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1	807098416	WFIDEAZHDTUPJQ-OAHLLOKOSA-N	421.463	3.916	10	20	HHCD	
Cc1cnc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc1-c1ccccc1F	814828341	YGBHQVUOFMJVGG-SFHVURJKSA-N	419.504	3.905	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c1	815835437	UBWXILSQSNTKLN-UHFFFAOYSA-N	415.877	3.728	10	20	HHCD	
COc1ccc(N2CCN(C(=O)COc3ccc(C(F)(F)F)cc3)CC2)cc1F	857464691	KQARJHZFWQKBBS-UHFFFAOYSA-N	412.383	3.581	10	20	HHCD	
CC(C)(C)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	914037135	DDXIBBDAZNFWKU-WQLSENKSSA-N	413.362	3.565	10	20	HHCD	
CC1CCN(c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2[N+](=O)[O-])CC1	918374690	VXQWYVCWAHKUGI-UHFFFAOYSA-N	424.501	3.920	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2C)cc1	918428890	AQSBWFQRCKNYJY-UHFFFAOYSA-N	418.335	3.859	10	20	HHCD	
Cc1cc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c(C)n1-c1ccc(F)cc1	918620263	RLLGOJZUEVRXQG-QFIPXVFZSA-N	405.473	3.937	10	20	HHCD	
CNC(=O)Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	919652426	GFIJUTCWXLCQHY-UHFFFAOYSA-N	420.513	3.868	10	20	HHCD	
C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(N2CCOCC2)cc1	920890185	MKORMDMQENVIJY-NFBKMPQASA-N	407.558	3.613	10	20	HHCD	
COc1ccc(C(=O)N2CCC(NCc3ccc(N4CCCC4)cc3)CC2)cc1OC	1318682685	LCSFIPUSDPZIGW-UHFFFAOYSA-N	423.557	3.698	10	20	HHCD	
COc1ccccc1C1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1	1318958574	IRQJEYHNQGPVRJ-UHFFFAOYSA-N	408.542	3.642	10	20	HHCD	
COC(=O)[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)Cc1ccncc1	1327475382	OHBZZVHCFNTOCM-HXUWFJFHSA-N	405.498	3.559	10	20	HHCD	
C[C@H](N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1	1337155429	FXBRBUQNKXKRPB-RXVVDRJESA-N	411.521	3.618	10	20	HHCD	
O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cnc(N2CCCC2)nc1	47880786	WFOBTBFATMKGDH-NTEUORMPSA-N	413.403	3.750	10	20	HHCD	
CC(C)(C)c1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1	107810293	NQHQZGDKWWXEJM-UHFFFAOYSA-N	421.478	3.873	10	20	HHCD	
CN(C)c1ccc(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1	116204224	OYGWERZGBOSGEG-NRFANRHFSA-N	405.464	3.823	10	20	HHCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)N1CCc2ccccc2C1	303793399	QQJMFEDUKXAUPM-CPJSRVTESA-N	421.585	3.707	10	20	HHCD	
CCOc1cccc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1[N+](=O)[O-]	480840624	HIENTVLWKSYTGA-UHFFFAOYSA-N	421.453	3.816	10	20	HHCD	
Cc1ccc2cccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c2n1	727615280	IUOOMJUTXARYHX-UHFFFAOYSA-N	402.498	3.739	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1ccc2ccccc2c1	729596509	IYFOVKSCMNYHSK-UHFFFAOYSA-N	407.489	3.939	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)CCC[S@@](=O)c1ccc(Br)cc1	731871342	CBVXMUNNFSBIAD-XMMPIXPASA-N	410.333	3.701	10	20	HHCD	
O=C(Cn1c(-c2cccc(Oc3ccccc3)c2)noc1=O)c1ccc(O)c(O)c1	731936692	ATCLRWXLHHWQJZ-UHFFFAOYSA-N	404.378	3.590	10	20	HHCD	
C[C@@H](CS(C)(=O)=O)N(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1	733310271	BTPWKCZIRKQNHV-INIZCTEOSA-N	414.531	3.938	10	20	HHCD	
CCCNS(=O)(=O)c1ccc(NC(=O)NCc2ccc(N(CC)CC)cc2)cc1	743212840	CPYUDBLWZPVRHQ-UHFFFAOYSA-N	418.563	3.543	10	20	HHCD	
Cc1ccccc1[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1	743554371	CFRJTQIUFOYION-JOCHJYFZSA-N	411.571	3.831	10	20	HHCD	
COc1ccccc1O[C@@H](C)CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	745901334	HBOJRYSBIPJWIK-HKUYNNGSSA-N	414.502	3.559	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3n[nH]cc3c2)NC(=O)OC(C)(C)C)cc1	746612451	OOJHFZIYYVEOIO-HXUWFJFHSA-N	423.517	3.625	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@@H]2C(=O)Nc3ccccc32)c(C)n1-c1ccccc1	746615741	PQXDXVQEHHYNLB-FQEVSTJZSA-N	402.450	3.946	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cnn(Cc2ccccc2)c1	746698894	KDVMKIQMTBVRIR-UHFFFAOYSA-N	424.570	3.742	10	20	HHCD	
Cc1cc(C)cc(N2CC[C@H](C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)C2=O)c1	752152001	RRDOBLRWVSFIJU-FCHUYYIVSA-N	422.525	3.570	10	20	HHCD	
Cn1cc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccc21	755381939	GJNPZNAMMGRWIV-UHFFFAOYSA-N	405.542	3.636	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1	756044583	GHEPFSOXNQKXEI-BJKOFHAPSA-N	405.546	3.581	10	20	HHCD	
CSc1ccc(CN(C)C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	756335933	LNVYEKKIQJAJKX-FQEVSTJZSA-N	414.571	3.754	10	20	HHCD	
C[C@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cc(Br)ccc1O	756802164	FPZMZTUHPFFEQE-NSHDSACASA-N	424.726	3.917	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccn(-c4ccc(Cl)cc4)n3)CC2)cc1	756964233	CWESTZPHDOGFKJ-UHFFFAOYSA-N	410.905	3.933	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CSc2cnn[nH]2)sc(C)c1-c1ccccc1	757746750	WYJDCKNPIBXQFT-UHFFFAOYSA-N	402.501	3.749	10	20	HHCD	
CCSCCSCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	760515935	NDZJZHSIUKIZNE-GJZGRUSLSA-N	400.585	3.542	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	761751649	IOWUKAQOQUKABM-HXUWFJFHSA-N	418.287	3.675	10	20	HHCD	
C[C@H]1N(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCOC1(C)C	763702950	XZACRORVCSJMDB-DKXRRRNBSA-N	424.613	3.755	10	20	HHCD	
O[C@H](CNCc1ccc(N2CCCCC2)cc1)COc1ccccc1Br	765258819	BAGHAIKLRDEXQZ-LJQANCHMSA-N	419.363	3.969	10	20	HHCD	
O=C(Nc1ccccc1O)C1CCN(Cc2cc(Br)ccc2O)CC1	768213845	UVULZEMFUCEHRM-UHFFFAOYSA-N	405.292	3.711	10	20	HHCD	
C[C@@H](c1nccs1)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	768529331	SZSFKPCLFJSSNN-KRWDZBQOSA-N	415.563	3.920	10	20	HHCD	
Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C(C)(C)C)n1	768949514	WKANMUIPTDKBQO-CQSZACIVSA-N	406.477	3.718	10	20	HHCD	
CC(C)(C)OC(=O)N1CC[C@@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1	769389366	KZARZYYQMLVMIM-MRXNPFEDSA-N	411.493	3.856	10	20	HHCD	
Cc1cc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cnc1Cl	769932474	UOVWNKVDDAGBSF-UHFFFAOYSA-N	423.903	3.864	10	20	HHCD	
C[C@H](NCCNC(=O)c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1Cl	772979848	XCRSDEBKWTUDGG-AWEZNQCLSA-N	423.891	3.535	10	20	HHCD	
C[C@@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)c1ccc(N(C)C)cc1	773622684	HREAUQPJSLQEOW-FZKQIMNGSA-N	406.324	3.609	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1O	774850233	NKKGGCOJFRPXNB-UWVGGRQHSA-N	402.291	3.872	10	20	HHCD	
CC(C)c1ccc(CCNC(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	775257348	HSVIAPQTAAPCMN-HXUWFJFHSA-N	409.574	3.656	10	20	HHCD	
COc1ccc(SC)c(OC)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	775645793	AIGIXXOHMGASRC-UHFFFAOYSA-N	416.543	3.535	10	20	HHCD	
O=C1NCCN(Cc2cc(Cl)cc(F)c2O)[C@H]1c1ccccc1Br	775728438	UPBPWNLDDVALPQ-HNNXBMFYSA-N	413.674	3.620	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1	776713472	JNIMRVXEHADNNA-UHFFFAOYSA-N	402.564	3.858	10	20	HHCD	
COc1cc(CN[C@H](C)c2cc(Br)cc(C)c2O)ccc1OCCO	779010664	FTZJSONJPROGIG-CYBMUJFWSA-N	410.308	3.694	10	20	HHCD	
COc1ccc(O)c(CN2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c1	779612065	REYYKTVNNYIDHW-QFIPXVFZSA-N	407.514	3.836	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1	780379195	LKWAPHVGDKYEGQ-OAQYLSRUSA-N	404.466	3.618	10	20	HHCD	
COc1ccc(CC(C)(C)NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1	782958246	CMKAXWKQIWLLGM-UHFFFAOYSA-N	411.546	3.993	10	20	HHCD	
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](C)c1cccc(C(F)(F)F)c1O	788612447	MGSYYJASYCJNIY-SGTLLEGYSA-N	405.420	3.900	10	20	HHCD	
C[C@H](NCCS(=O)(=O)CCc1ccccc1)c1cccc(C(F)(F)F)c1O	788825301	YBQUWOAONJUZHN-AWEZNQCLSA-N	401.450	3.719	10	20	HHCD	
CNC(=O)c1cc2cc(NC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc2[nH]1	791918971	ROANVVPEMUBJEI-UHFFFAOYSA-N	405.502	3.790	10	20	HHCD	
COc1ccc(CNC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c(O)c1	792955988	DWSVMCOMAJIUKO-UHFFFAOYSA-N	416.481	3.798	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H](C)c3cnc(OC)c(Cl)c3)CC2)cc1	793522083	ZVJLDCVDEFBVRO-KRWDZBQOSA-N	418.969	3.615	10	20	HHCD	
CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1	794579302	USHLXKJAZJJLER-UHFFFAOYSA-N	416.484	3.701	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCc4cnn(C)c4C3)cc2Cl)C1	800051098	LGTMNHMOTDZMPR-DOTOQJQBSA-N	400.954	3.731	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1	801548007	ITNYHNNBOXHJLU-UHFFFAOYSA-N	411.470	3.760	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)NCCN1CCN(c2ccccc2)CC1	801983326	MLYXXTASAKMDNG-UHFFFAOYSA-N	410.562	3.526	10	20	HHCD	
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CCSCC2)cc1	801994272	XTLNUZVAGCDNNX-RTWAWAEBSA-N	423.586	3.503	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(Cc2ccccn2)ccc1C	802555978	HTIULYXBHLMEDS-UHFFFAOYSA-N	416.525	3.610	10	20	HHCD	
Oc1cc(OCc2ccccc2)ccc1CNCc1ccccc1Cn1cncn1	802652784	UEKHLJCSUCUMHL-UHFFFAOYSA-N	400.482	3.901	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(F)ccc1OC	807931482	SGNWGJIWWAWHLE-UHFFFAOYSA-N	402.466	3.837	10	20	HHCD	
CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2cc(Cl)cc(C)c2O)CC1	808687070	ICUKQMXFMCOWKU-INIZCTEOSA-N	401.938	3.873	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1	808938651	YBCRBKJUZDEMIH-UHFFFAOYSA-N	405.454	3.957	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1	809371022	DZUVPHQNRUOFMV-CQSZACIVSA-N	424.419	3.907	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	809702810	YUCBQHXRXIKUOM-FUHWJXTLSA-N	418.287	3.808	10	20	HHCD	
Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccc(O)c(COC(C)C)c3)cc2F)c1	811706078	WROMBFSSIRKUCD-UHFFFAOYSA-N	419.478	3.751	10	20	HHCD	
Cc1ccccc1C1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCC1	812926173	LUJMCZVJYBVDJI-NRFANRHFSA-N	419.569	3.825	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1	814100466	KKYIKWFGHONZTQ-PMOLBWCYSA-N	401.551	3.604	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc([C@H]2CCOC2)cc1	815371405	VEXWHOPZFVPMSR-NRFANRHFSA-N	421.541	3.778	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnc2c(F)ccc(F)c2c1	815730250	BKIQUSSJPHASMS-UHFFFAOYSA-N	415.415	3.543	10	20	HHCD	
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3nc(C)c(C)s3)sc2n1	856689649	VPXWJYKYHUNHKM-SNVBAGLBSA-N	404.517	3.753	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)ccc3Cl)CC2)cc1F	857464494	FARSPWAHVGXMNW-HNNXBMFYSA-N	406.885	3.912	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2csc(Br)c2)SC1=S	913514845	PRIDGSBCWIVFEQ-UITAMQMPSA-N	406.348	3.665	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1	916662765	BRMXAYBSHIOYCR-YBEGLDIGSA-N	403.456	3.783	10	20	HHCD	
COCCn1c(C)cc(/C=C2/NC(=S)N(c3ccc(Cl)cc3C)C2=O)c1C	917097070	VNWCKRMOSGPFTO-GZTJUZNOSA-N	403.935	3.975	10	20	HHCD	
Cc1cc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)s1	918006204	OBYBTKYJZLKVEV-CRAIPNDOSA-N	414.575	3.627	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](Cc4nccn4C)C3)c2C)cc1	1322642516	UYCPNBIOLFFEAH-LJQANCHMSA-N	406.530	3.931	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2nccs2)NC(=O)OC(C)(C)C)cc1	1346279229	ZRBPIEXOHYOVIM-SXSDINLZSA-N	416.547	3.605	10	20	HHCD	
FC(F)(F)c1ccc(CN2CC[C@H](NCc3ccc(N4CCOCC4)cc3)C2)cc1	237719151	SIACIWRWAOJNNK-NRFANRHFSA-N	419.491	3.906	10	20	HHCD	
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CC(=O)Nc2ccccc2)C1	435522612	OJDHWTKASSUINB-UHFFFAOYSA-N	418.541	3.505	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@H](Cc4ccccc4)C3)ccc21	538485250	MURDLCDJGYJTJQ-JOCHJYFZSA-N	406.526	3.988	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C\c3ccc(OC(F)F)c(OC)c3)SC2=S)cn1	726196990	JDFOTXJYNOCRCL-VGOFMYFVSA-N	411.455	3.919	10	20	HHCD	
Cc1noc2ncc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc12	726565614	HYCIVRVHSDJIOF-UHFFFAOYSA-N	402.401	3.531	10	20	HHCD	
C[C@H]1CCCCN1C(=O)CN1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1	726960742	FFAQHOWUAXJJHS-SFHVURJKSA-N	421.541	3.810	10	20	HHCD	
Cc1ccc(C(=O)OCc2nc(-c3cc(Br)cs3)no2)c(O)c1O	727004811	UVHYAGIOTDTNKV-UHFFFAOYSA-N	411.233	3.637	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C3CCOCC3)c2C)cc1	729936652	AUMYHAARACJDGR-UHFFFAOYSA-N	411.531	3.716	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CCN(CC4CCOCC4)CC3)c2C)c1	736319274	WWTUSPJYYGFLFS-UHFFFAOYSA-N	409.574	3.629	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@@H](Cc2ccc(F)cc2)C1	736654111	YWNLMMMVYKAHTQ-IBGZPJMESA-N	415.484	3.576	10	20	HHCD	
Cc1cc(C(=O)CN2CCCN(C)CC2)c(C)n1-c1cccc(Br)c1	737976774	GTCKJURITUDTLT-UHFFFAOYSA-N	404.352	3.677	10	20	HHCD	
COc1ccc(OC2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)cc1	740919355	OMWNHYQEKMBJCJ-UHFFFAOYSA-N	407.514	3.824	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F	741096171	RSJZKEBZQDMYAS-UHFFFAOYSA-N	418.824	3.955	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cc(Br)ccc3OC)CC2)cc1	741544451	QIHGXVVNNWQYEV-UHFFFAOYSA-N	419.319	3.819	10	20	HHCD	
Cn1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)c3ccccc3n4C)n2)cn1	743046653	IUNZJEBWSJTMKX-UHFFFAOYSA-N	423.523	3.989	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n1	743623078	FLACUTYYXFLHCH-MRXNPFEDSA-N	419.485	3.682	10	20	HHCD	
CCO[C@H](CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(C)C	746415629	ROEJEVYXZQZYRK-XGHQBKJUSA-N	409.546	3.690	10	20	HHCD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	747361403	OUJTVDDPDYJXIG-SVHPSLOZSA-N	414.521	3.610	10	20	HHCD	
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1Cl	748053598	MEHHBDCYNPYGQO-UHFFFAOYSA-N	421.950	3.767	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccccc1CS(C)(=O)=O	749435683	GUSUQUGFXYKPAG-UHFFFAOYSA-N	402.541	3.630	10	20	HHCD	
COc1cc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc(OC)c1OC	751301576	FOJCEMZUOKGZSM-UHFFFAOYSA-N	418.453	3.603	10	20	HHCD	
COc1ccc(Oc2ccc(S(=O)(=O)NCc3cc(OC)ccc3O)cc2)cc1	751415151	LRKCOMUSPJFFLI-UHFFFAOYSA-N	415.467	3.680	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCOc3ccccc3Cl)CC2)cc1	752227441	JVOVKYJYDSQJPO-UHFFFAOYSA-N	403.910	3.696	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1	753640024	GQLYDSVSMOORES-GFCCVEGCSA-N	402.397	3.711	10	20	HHCD	
COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1F	753860515	FLMDSZLMLODUAZ-CQSZACIVSA-N	423.435	3.585	10	20	HHCD	
COc1cccc(COCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	754547671	HSGCZUGHYLOSSF-UHFFFAOYSA-N	401.418	3.626	10	20	HHCD	
Cc1sc(NS(=O)(=O)c2cncc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1	754693283	GWUDQVZJCIRRLT-UHFFFAOYSA-N	410.864	3.876	10	20	HHCD	
Cc1ccc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(O)c1	756447324	UMOZYCMIDQBFJC-GOSISDBHSA-N	421.520	3.807	10	20	HHCD	
CC(C)[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1cccc2ncccc12	759589927	BNSKWFRXEPWZDW-NAMLBJQJSA-N	406.438	3.866	10	20	HHCD	
Cc1ccc2nc(COc3ccc(C(=O)NCCc4ccc(O)c(O)c4)cc3)cn2c1	762264458	YCWHOYQCSYRULG-UHFFFAOYSA-N	417.465	3.605	10	20	HHCD	
CN(c1ccccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCC1	762468121	BFDFPZSSPVTBHT-UHFFFAOYSA-N	418.541	3.697	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3cccnc3OCC(F)F)cc2)CC1	763495309	BZIRXTNZLUEQHO-UHFFFAOYSA-N	418.488	3.961	10	20	HHCD	
CC[C@H](NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccc2c(c1)OCCO2	765853890	WFLVWQWGLRSPHX-NRFANRHFSA-N	413.537	3.980	10	20	HHCD	
CCN(CC)c1ccc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1F	765876579	AQTYRAFZGBBBQB-OAHLLOKOSA-N	408.539	3.935	10	20	HHCD	
CCN(CC)CCO[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769516982	XLVKBKTUCAKALF-FQEVSTJZSA-N	404.555	3.518	10	20	HHCD	
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	769741244	KDFNFRAUCXGXEL-IEBWSBKVSA-N	402.516	3.562	10	20	HHCD	
CN1CCN(c2ccc(NCc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1	770512329	HLQQESLMIJVXSQ-UHFFFAOYSA-N	409.534	3.949	10	20	HHCD	
CCOC(=O)C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(OC)c1	773623565	VYJADMQPHHHOLD-IERDGZPVSA-N	413.518	3.816	10	20	HHCD	
O=[N+]([O-])c1ccc(O)c(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1	773915871	KGIGKZGSLSEMBW-UHFFFAOYSA-N	412.364	3.995	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNCCCc2ccc(Br)cc2F)c1O	775015707	JMQNREVLHMOGIK-UHFFFAOYSA-N	413.243	3.933	10	20	HHCD	
C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CCN1C(=O)OC(C)(C)C	775048326	REWFGLGORPSAKG-FUHWJXTLSA-N	407.530	3.540	10	20	HHCD	
CC[C@@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(Br)ccc1O	775493310	XEVNDQYXYBZQJU-UYAOXDASSA-N	419.363	3.615	10	20	HHCD	
C[C@@]1(CCCO)CCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	776152367	DCAKDQFRLCWOFF-KKSFZXQISA-N	411.493	3.593	10	20	HHCD	
CC(=O)N1CCN(Cc2ccc(NCc3ccc(N4CCCCC4)cc3)cc2)CC1	776944260	CBNROMCEQJHVHC-UHFFFAOYSA-N	406.574	3.953	10	20	HHCD	
Cc1cc(C(=O)N2CC(n3cc([C@H](C)O)nn3)C2)c(C)n1-c1cccc(C(C)C)c1	779568445	XRUZTRNADKHTBS-KRWDZBQOSA-N	407.518	3.559	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2c(F)cccc2F)cc1	782423826	LUWHAVMNGHLYGL-UHFFFAOYSA-N	413.424	3.791	10	20	HHCD	
COC(=O)COc1ccc(N(C)CC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1	784560378	LPTDMFLZKDYTIV-FQEVSTJZSA-N	404.532	3.640	10	20	HHCD	
Cc1ccnc(-n2nc(C)cc2NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	786092941	PMMHTYQLMJYWHO-SFHVURJKSA-N	420.517	3.603	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)C(=O)Nc2nc(CC(C)(C)C)cs2)C2CC2)cc1	789382736	PIJLALMZIFBCAM-UHFFFAOYSA-N	414.575	3.927	10	20	HHCD	
Cc1nc(S)sc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	790159241	HSYLNYVSVHUTIX-KRWDZBQOSA-N	405.589	3.557	10	20	HHCD	
COc1ccc(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c(O)c1	792920038	RDGNSGIPJBVKNT-UHFFFAOYSA-N	417.937	3.766	10	20	HHCD	
C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cc1cc2c(cc1O)OC[C@@H]2O	793600725	UVNMBFFPPGCLRL-OACQNMCBSA-N	409.404	3.799	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@H](F)CC3CCCCC3)CC2)cc(OC)c1OC	793813980	FKCRDTAUYIBIFC-GOSISDBHSA-N	408.514	3.670	10	20	HHCD	
C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Br)cc1F	796696562	SCIBEIZCSVNBKB-CQSZACIVSA-N	422.342	3.963	10	20	HHCD	
COc1ccccc1-n1nccc1/C=C1/SC(=S)N(CCCSC)C1=O	797399746	ZSGSKZUBRLLGAT-FOWTUZBSSA-N	405.570	3.835	10	20	HHCD	
O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cnc2ccccc2c1	800925086	NOVHNRPQOWREEC-UHFFFAOYSA-N	411.464	3.888	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1	806636756	UNWNAZINBMDBSV-GOSISDBHSA-N	420.513	3.584	10	20	HHCD	
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807676007	BVLBDKZVKPBHSW-JTSKRJEESA-N	413.537	3.795	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1	807806212	MNDQOUIMQZXMHR-QFIPXVFZSA-N	421.472	3.571	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)CN1CCN(c2ccc(Cl)cc2)C1=O	808137061	UKTGFVAZFLYCKR-UHFFFAOYSA-N	414.937	3.508	10	20	HHCD	
Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809594215	TZHKYLQNMVJZKX-UKILVPOCSA-N	416.569	3.928	10	20	HHCD	
COC[C@@]1(CNCc2cc(Cl)cc(F)c2O)CCCN1C(=O)OC(C)(C)C	809715227	DLALZWYEBKRMLU-IBGZPJMESA-N	402.894	3.690	10	20	HHCD	
C[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H](C)S1(=O)=O	810111527	OIEJXKRDIFNVQX-HOTGVXAUSA-N	400.504	3.548	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3Cc4ccc(OC)cc4C4(CC4)C3)CC2)cc1	812024806	SVCHGFRYUKLRMT-UHFFFAOYSA-N	421.541	3.930	10	20	HHCD	
Cc1cc(C(=O)CN2CCC(F)(F)[C@H](CO)C2)c(C)n1-c1ccc2c(c1)CCC2	812858956	GETFGOURDMKGGA-IBGZPJMESA-N	402.485	3.715	10	20	HHCD	
CN(C/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1)CC(F)(F)F	814463612	XOESZHXXWANGSP-QPJJXVBHSA-N	409.452	3.925	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)c2C)cc1	843806232	UBNNADDJEWHGGC-UHFFFAOYSA-N	409.530	3.577	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(NCC2CC2)nc1	857455961	JSUDWEKSGUEUDV-QGZVFWFLSA-N	416.472	3.904	10	20	HHCD	
COCCNC(=O)/C(=C\c1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1	916155093	HZAHFQIXQFRQIF-JZJYNLBNSA-N	404.514	3.856	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(C(=O)c4ccc(C)c(OC)c4)CC3)c2c1	917473211	JVRYLMGNEKKNGA-UHFFFAOYSA-N	420.509	3.829	10	20	HHCD	
Cc1cc(C)c(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)c1	918028189	VGWWHKYSEIASJJ-QGZVFWFLSA-N	414.937	3.980	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCC3(c4ccccc4)CCOCC3)CC2)cc1	918071532	NFQBUUJEWCRGHC-UHFFFAOYSA-N	423.557	3.665	10	20	HHCD	
C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1Cl	920637434	FLOGCICCYIABMF-SECBINFHSA-N	404.271	3.989	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCc1cccc(Cl)c1F	1116164022	HYBJMICNIHYONJ-UHFFFAOYSA-N	409.864	3.579	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)CC1	1320527956	AWWSIMZDTRXEDD-VURMDHGXSA-N	416.518	3.751	10	20	HHCD	
CC(C)(C)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1	1796602544	PHJDVSCEWFQYMF-BCDXTJNWSA-N	417.550	3.741	10	20	HHCD	
Cc1nocc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	1845398260	QKSUTDWJWAHHEF-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccccc2S(C)(=O)=O)c(C)n1-c1ccccc1	5360731	OJKAKTOJKDHCQR-UHFFFAOYSA-N	411.479	3.537	10	20	HHCD	
O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1	18138244	FFBAJBVZFFQNCA-UHFFFAOYSA-N	417.325	3.715	10	20	HHCD	
Cc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(C)n1-c1ccccn1	106073134	CFXCOAWAAZGFPL-UHFFFAOYSA-N	415.497	3.609	10	20	HHCD	
Cc1c(CNC(=O)C(=O)Nc2ccc(Br)cc2)n(C)c2ccccc12	472804476	CZIFYQZXCWRXOF-UHFFFAOYSA-N	400.276	3.504	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NCc3ccnc(N4CCCC4)c3)ccc21	482490295	TVMIMQPCJUFPNM-UHFFFAOYSA-N	406.530	3.830	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1	726289651	BODLOWZRXUHBLM-UHFFFAOYSA-N	401.894	3.633	10	20	HHCD	
C[C@@H](NC(=S)NCCCN(C)c1ccccc1)c1ccc(N2CCOCC2)cc1	726481502	DBIHIKGQOWDYGP-LJQANCHMSA-N	412.603	3.575	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	726503067	FIDXECHZNQTJAE-CALCHBBNSA-N	422.504	3.863	10	20	HHCD	
CCOc1ncccc1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726613374	LINNHZJJIGXEOY-UHFFFAOYSA-N	420.460	3.550	10	20	HHCD	
O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1	727250222	KOJPBZUCAKFWIU-UHFFFAOYSA-N	417.487	3.642	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](c4ccccc4F)C3)CC2)cc1	727603956	BFPFOUVSBRSHJN-JOCHJYFZSA-N	413.493	3.586	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1	728978832	PTQFNUBPEUAESR-LBPRGKRZSA-N	412.467	3.673	10	20	HHCD	
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCCSc3nccs3)C2)c1	733973473	LCULNUFVVJYUTL-QGZVFWFLSA-N	417.600	3.911	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	734648264	NUGFKJKQGAYONG-UHFFFAOYSA-N	400.910	3.928	10	20	HHCD	
CCn1cc(Br)cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	735520358	YTBHFIREQANFRL-INIZCTEOSA-N	407.308	3.798	10	20	HHCD	
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	736375087	GZTKNLSRULOJID-HRAATJIYSA-N	417.937	3.752	10	20	HHCD	
CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1	740848305	RPHQMWWBJHUGNR-UHFFFAOYSA-N	401.532	3.618	10	20	HHCD	
CC(=O)NC[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	742558172	NEKNHICNRJVSBI-SFHVURJKSA-N	420.509	3.822	10	20	HHCD	
COc1ccccc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	742751719	WLFUZAFETXANAI-IBGZPJMESA-N	413.518	3.757	10	20	HHCD	
O=C(NC[C@@H]1Cc2ccccc2O1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743534304	RHBADAHHFSFJGS-APWZRJJASA-N	417.456	3.560	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H](C)N(c4ccccc4)C3=O)cc2)CC1	743600877	SFPUAIVEMZHKGH-WMZHIEFXSA-N	420.557	3.916	10	20	HHCD	
COc1cccc(-c2noc([C@H](C)NC(=O)NCc3ccc(N(C)C)c(F)c3)n2)c1	743703696	LXNUWNPWKUXYIP-ZDUSSCGKSA-N	413.453	3.511	10	20	HHCD	
CC[C@](C)(NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1nccs1	744404453	RRKRYLBBLTVYRY-QHCPKHFHSA-N	419.506	3.772	10	20	HHCD	
CCNC(=O)N1CCc2ccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)cc21	744591275	AFRNZHUHCXWUJQ-UHFFFAOYSA-N	403.486	3.833	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccccc1NC(C)=O	745860427	SBNOFGULCMDKCZ-UHFFFAOYSA-N	420.307	3.845	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3cccc4ccccc34)cc2)C1	746221383	DHVTYLIQIWHNIG-NRFANRHFSA-N	416.525	3.541	10	20	HHCD	
COC(=O)CN(Cc1ccc(OC(F)F)c(OC)c1)Cc1cc(Cl)ccc1O	749297371	JAFVJWCUTDHMKF-UHFFFAOYSA-N	415.820	3.831	10	20	HHCD	
C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	751084658	RPGFSSRJROGZHG-NYHFZMIOSA-N	415.484	3.924	10	20	HHCD	
Cc1cc(C(=O)COC(=O)Cc2ccc3c(c2)NC(=O)C3)c(C)n1-c1cccc(F)c1	752058660	PEUQPWQBGWMTAE-UHFFFAOYSA-N	420.440	3.696	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1	754191212	KRTYXHCYCJGVDK-UHFFFAOYSA-N	407.436	3.811	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)c(C)o1	754695049	SWIKSKCVAUOLPF-UHFFFAOYSA-N	412.876	3.952	10	20	HHCD	
CC(=O)N1CC[C@@H](CN(C)Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	754778936	VVRGGLBUSVUUCD-SFHVURJKSA-N	420.509	3.774	10	20	HHCD	
CC(=O)N1CC[C@@H](CN(C)CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1	755041628	JMEQYOKHKGCZDS-KRWDZBQOSA-N	419.928	3.870	10	20	HHCD	
Cc1nc(CC(C)C)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1	755385254	RKPADFINABARID-UHFFFAOYSA-N	401.576	3.789	10	20	HHCD	
CSc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	756924887	VNDZYHVELUJRSM-UHFFFAOYSA-N	403.523	3.692	10	20	HHCD	
CCNc1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)s1	757775379	YAIHOPJNKVNYTR-SFHVURJKSA-N	402.564	3.771	10	20	HHCD	
Cc1ccccc1CN1CCC(NC(=O)NCCCSc2nccs2)CC1	759549725	IHGUTKCGDMICIM-UHFFFAOYSA-N	404.605	3.898	10	20	HHCD	
CN(C)c1ccc(CNC(=O)Nc2cccc(F)c2I)cc1	759999942	KYETZBRAZSCUDK-UHFFFAOYSA-N	413.234	3.818	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cccc(C)c3F)CC2)cc(OC)c1OC	760010183	WMYRFMLBVAOUBC-UHFFFAOYSA-N	403.454	3.514	10	20	HHCD	
CCC[C@@H]1CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCO1	760099684	ICBFTVDPLGLDSI-IZCBMXNHSA-N	424.613	3.757	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@H](OC)c3ccccc3Cl)CC2)cc1	763683052	OWJZYTANIFJHNK-NRFANRHFSA-N	417.937	3.958	10	20	HHCD	
C[C@H](OC[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	764865182	UUVGWTDAVOAMKX-FDDCHVKYSA-N	418.965	3.747	10	20	HHCD	
O=C(CCCOc1ccc2c(c1)CCC2)NCc1ccc(N2CCOCC2)c(F)c1	764924467	JOSGCPWGMJQZEW-UHFFFAOYSA-N	412.505	3.626	10	20	HHCD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	765977861	WKZTVORVUKMPIM-WMZOPIPTSA-N	418.335	3.501	10	20	HHCD	
O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccc(O)c(O)c1	768457485	DWZCLKNWRWGQME-UHFFFAOYSA-N	412.858	3.855	10	20	HHCD	
CCN(CCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1)CC1CC1	770598087	WMWMBKRZUGQLQV-UHFFFAOYSA-N	403.586	3.996	10	20	HHCD	
C[C@@H](Sc1ccccn1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771058779	NWDUDTNSDKCTLR-PBHICJAKSA-N	405.951	3.702	10	20	HHCD	
O=C(COC(=O)CCCC(F)(F)F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	771134820	DUSSAIBYSLAQNU-UHFFFAOYSA-N	419.355	3.676	10	20	HHCD	
O=C(Nc1cnn(C(F)F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	772467703	AFNVYZHEVZSFAE-UHFFFAOYSA-N	401.364	3.670	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(N2CCOCC2)c(F)c1	772979964	JJENSTPJBOQNHA-HNAYVOBHSA-N	417.912	3.772	10	20	HHCD	
Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773759979	CRBCZKGRYDANBG-LLVKDONJSA-N	417.303	3.940	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)c1	775373046	LLASOEXMCLMUOH-GJZGRUSLSA-N	406.910	3.631	10	20	HHCD	
CC[C@@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)c(Cl)c1O	775500873	MCBKOCXSCRBWLW-FOIQADDNSA-N	422.312	3.995	10	20	HHCD	
CC[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1O	775521891	DECHGOMAQBMZCP-OLZOCXBDSA-N	409.246	3.749	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CNC3(c4c(Cl)cccc4Cl)CC3)nc12	775552124	FIVFTRWNLBRDEQ-UHFFFAOYSA-N	421.284	3.697	10	20	HHCD	
COc1cc(O)c(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1OC	775746334	JDJOGLYZDSJCLV-UHFFFAOYSA-N	413.518	3.836	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	778621459	YKCGISABQSIUFT-MJGOQNOKSA-N	416.566	3.732	10	20	HHCD	
Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1	778976458	XSKONQZYNAKPQO-SJLPKXTDSA-N	412.534	3.864	10	20	HHCD	
CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)Cc1ccsc1	779529695	OZFNQLCYJCNINN-INIZCTEOSA-N	405.539	3.887	10	20	HHCD	
O=C1/C(=C\c2cnn(Cc3ccc(F)cc3)c2)SC(=S)N1CCc1ccccn1	780144226	WRDIZPCYQFWLGE-YBFXNURJSA-N	424.526	3.909	10	20	HHCD	
CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)CCC(=O)OC	783095183	JCFLVHWVGQPNLR-UHFFFAOYSA-N	411.321	3.947	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Cc1cc2c(cc1Br)OCCO2	784437163	DVKAAIKVDXJJMQ-UHFFFAOYSA-N	420.303	3.907	10	20	HHCD	
Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	784719782	HDXYKWBSMPKNCN-UHFFFAOYSA-N	410.518	3.536	10	20	HHCD	
COCCc1ccccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	786199832	XOXHYYFNKXWILV-CALCHBBNSA-N	415.509	3.950	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1nc2c(s1)CCCCCC2	789372684	XIYBBFRPQXJCBO-UHFFFAOYSA-N	412.559	3.657	10	20	HHCD	
O=C(CCOCC(F)(F)C(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1	790806960	BPLPHKCNVSPSMB-CQSZACIVSA-N	411.367	3.504	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc4c(c3)CCC=C4)CC2)cc(OC)c1OC	791060608	CYFQQEAGORFBDK-UHFFFAOYSA-N	408.498	3.634	10	20	HHCD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	795720800	SMNVYNLBEVVHRU-SFHVURJKSA-N	420.509	3.875	10	20	HHCD	
CC[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(Cl)c(S(=O)(=O)NC)c1	795787323	CVCGBRVUCLAIDF-IBGZPJMESA-N	421.994	3.871	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cs1	796769397	RZGXKZMHPGKRCB-UHFFFAOYSA-N	412.490	3.579	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc(SCc2ccccc2)ns1	797636181	KDZPRUZCRJZXBS-GFCCVEGCSA-N	416.528	3.994	10	20	HHCD	
CCCCN(Cc1ccccc1O)Cc1nnnn1-c1ccccc1Br	801595963	XAQMCHOAYXYUNV-UHFFFAOYSA-N	416.323	3.933	10	20	HHCD	
Cc1cc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2[nH]c(C)c(C)c2c1	803323755	CRNPPQWQHIBXHA-KRWDZBQOSA-N	406.530	3.653	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(N(C)C)cc1	803843918	YNWVDFXNAXTWFE-UGSOOPFHSA-N	417.962	3.937	10	20	HHCD	
CSCc1cccnc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	810167633	MUHIPQAXUKZZPU-GJZGRUSLSA-N	403.523	3.627	10	20	HHCD	
COc1cccc(CN[C@@H](C)c2ccc(Br)cc2OCCCO)c1O	812784032	RLOKOKYUMGAFQM-ZDUSSCGKSA-N	410.308	3.775	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(CN2CCC(CO)CC2)cc1	813683745	BIRUNQAWHGQTGV-UHFFFAOYSA-N	423.340	3.833	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cc(F)cc(F)c1)c2[N+](=O)[O-]	823872033	VYIYSYATDJTETI-UHFFFAOYSA-N	408.316	3.901	10	20	HHCD	
COc1c([N+](=O)[O-])cc(N(Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1Br	836084121	ZENRWMZYBOUHBV-UHFFFAOYSA-N	423.223	3.838	10	20	HHCD	
COc1ccccc1CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	916458271	YKZBJJLQVLNDSS-UHFFFAOYSA-N	422.447	3.800	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](c1ccccc1)C(F)(F)F	916577326	RHDNRBYSPKVDDR-LJQANCHMSA-N	407.436	3.968	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)c(C)n1-c1ccccn1	917134560	ZJMLURWJSWCGEU-UHFFFAOYSA-N	404.392	3.755	10	20	HHCD	
O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)c(F)cc2N1	917845637	DBZJZHXIWFWZBI-UHFFFAOYSA-N	409.489	3.696	10	20	HHCD	
C[C@H]1CCCCN1[C@@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	918212416	UEXKKJFHHWCGNT-INDMIFKZSA-N	420.573	3.501	10	20	HHCD	
CN(Cc1cccc(C(N)=O)c1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	918471856	FGPKOOUYAQSSFP-UHFFFAOYSA-N	415.453	3.798	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)cc1	918665588	PIOPRHHGPRLZSC-UHFFFAOYSA-N	412.490	3.534	10	20	HHCD	
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCc1ccc(N2CCOCC2)cc1	919730476	BEOKKSGUXQVACZ-UHFFFAOYSA-N	416.587	3.916	10	20	HHCD	
CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1ccc(N2CCCC2)cc1	1116450143	SRORYTXFLVMWEN-UHFFFAOYSA-N	408.951	3.976	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCc3c(F)cccc3Cl)CC2)cc1	1319326129	QIOCTFUHMHAAGC-UHFFFAOYSA-N	405.901	3.952	10	20	HHCD	
CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(N2CCN(C)CC2)c(F)c1	1320476294	XAPICTHQXPAPBF-UHFFFAOYSA-N	416.516	3.566	10	20	HHCD	
FC(F)(F)c1nnc(N2CCCN(Cc3ccc(N4CCCC4)cc3)CC2)s1	1320717063	NLIUHHCLLMZDSJ-UHFFFAOYSA-N	411.497	3.869	10	20	HHCD	
Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)c(O)c(Cl)c2)cc1	1800716404	IJEHOOADBNYNBP-BJWYYQGGSA-N	414.889	3.625	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1	27157669	GGVZGBQTJKPZTD-UHFFFAOYSA-N	418.541	3.895	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(CN2CCCC2=O)cc1	97438651	BLWCKRRKZLEEFM-UHFFFAOYSA-N	424.570	3.684	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4cccs4)n[nH]3)cc2F)C[C@@H](C)O1	108451919	WRAYCMZIHTXOSJ-OKILXGFUSA-N	414.506	3.821	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1	725856508	QKYIHCGNYUHDLL-UHFFFAOYSA-N	421.519	3.607	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2cc(F)ccc2Cl)cc1	728507264	QCMWDNCKFRXLOB-UHFFFAOYSA-N	408.886	3.591	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc(-c2ccc(O)cc2)n1	728600185	PZZWZEQXXZANJA-UHFFFAOYSA-N	409.511	3.625	10	20	HHCD	
O=C(CNC(=O)c1c(F)cccc1Cl)NCc1ccc(N2CCCCC2)cc1	730588064	GKZLNPJSYLVXIX-UHFFFAOYSA-N	403.885	3.516	10	20	HHCD	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731015419	RKEPTHRAPFOMTG-UHFFFAOYSA-N	400.544	3.565	10	20	HHCD	
COCCS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	733227591	NODHUPIFZBDIHL-UHFFFAOYSA-N	412.511	3.767	10	20	HHCD	
O=C(NC[C@@H]1CCCN1Cc1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	734217568	KKTPKJYPVBNWRQ-GOTSBHOMSA-N	423.557	3.747	10	20	HHCD	
Cc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C	734660344	PQIGDWMDAGGNCH-ICSRJNTNSA-N	408.546	3.566	10	20	HHCD	
CN(C)c1ccc(Cl)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	737005592	ZFYZYYDGZBNMLI-UHFFFAOYSA-N	420.916	3.828	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1OC1CCCC1	741099985	OVYAUCSXEPFDBS-UHFFFAOYSA-N	405.498	3.639	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c(F)cc1F	741136197	JPSARCPKRKKHFM-UHFFFAOYSA-N	424.469	3.933	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cc(OCc4ccccc4)ccn3)CC2)cc1	742471184	PJTBCOSOGZYASE-UHFFFAOYSA-N	403.482	3.632	10	20	HHCD	
CS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1Cl	742475973	QYEINIYASLUCRU-UHFFFAOYSA-N	406.935	3.664	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)Nn1cnc2ccccc21	743508799	ULPDWIZCTLAPCD-CQSZACIVSA-N	401.417	3.560	10	20	HHCD	
CCc1cnc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1	744373143	RTGFEYCQSOLGRU-UHFFFAOYSA-N	407.407	3.641	10	20	HHCD	
CCN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(OC)cc1	746108977	GYBUHCVTBHGYHH-SFHVURJKSA-N	421.419	3.828	10	20	HHCD	
COC[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(C)o1	746761863	PQMZUMFZPFXQAX-GOSISDBHSA-N	423.460	3.845	10	20	HHCD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C1/SC(N2CCOCC2)=NC1=O	747148190	PJFNSWFZURDCRM-XNTDXEJSSA-N	423.325	3.790	10	20	HHCD	
C[C@H](NC(=O)NC1CCN(C2CCCCC2)CC1)c1ccc(N2CCOCC2)cc1	747500582	KGXACPXKLIDNNG-IBGZPJMESA-N	414.594	3.681	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(CCC(F)(F)F)c2)c1	754025080	OYNRMDVCPAOCGT-UHFFFAOYSA-N	402.394	3.511	10	20	HHCD	
Cc1cnc(C(C)(C)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	754693345	RCFDVGJYBINKII-UHFFFAOYSA-N	419.506	3.690	10	20	HHCD	
COc1cc(CN2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(O)c(C(C)(C)C)c1	754740940	NDTWPZVZXMOLKE-KXBFYZLASA-N	422.566	3.812	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CNC(C)(C)c3cccs3)cc2F)C[C@@H](C)O1	754821486	VEVCLGORGPBADY-IYBDPMFKSA-N	419.566	3.642	10	20	HHCD	
COCCOCCCN[C@H](C)c1cc(Br)cc(Br)c1O	756361435	ZGBSTWAAUYXEJQ-SNVBAGLBSA-N	411.134	3.621	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1	756503840	NDTVJLWSKKQUKT-MGPUTAFESA-N	418.921	3.556	10	20	HHCD	
C[C@@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1cc(Br)ccc1O	756850540	JUVQVKCRNXQKQP-ACJLOTCBSA-N	418.335	3.778	10	20	HHCD	
COc1cc(N2CCN(C(=S)Nc3cc(C)cc(C)c3)CC2)cc(OC)c1OC	758923146	SCYHAHGSZUXASY-UHFFFAOYSA-N	415.559	3.848	10	20	HHCD	
COCCCOc1cccc(CNC(=O)NCc2cccc(Br)c2O)c1	764798176	AVYJQICQYFMKIO-UHFFFAOYSA-N	423.307	3.569	10	20	HHCD	
O=C(NC1CC1)c1ccc(NCc2cccc(Br)c2O)c([N+](=O)[O-])c1	764933009	AZZMHTUFACWQEN-UHFFFAOYSA-N	406.236	3.567	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](O)c1ccccc1Cl	764957066	RIWZESHQMFHIFX-GOSISDBHSA-N	410.848	3.760	10	20	HHCD	
COC[C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	765078576	MKSCSLNAUVNJOE-IBGZPJMESA-N	408.464	3.889	10	20	HHCD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	765977858	WKZTVORVUKMPIM-FUHWJXTLSA-N	418.335	3.501	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NC2CCN(Cc3ccncc3)CC2)C1	765991688	FTWLGLIZBMIYTP-JOCHJYFZSA-N	414.981	3.659	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)cc1	768040376	NJWQPYOKDVBHKM-LJQANCHMSA-N	420.351	3.828	10	20	HHCD	
CCCCNC(=O)C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	768335668	VQDCEWXLZSJKGJ-UHFFFAOYSA-N	402.539	3.713	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cn1	769665331	AAWHYMXCVNXXLU-UHFFFAOYSA-N	415.905	3.507	10	20	HHCD	
Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)c1	769871712	LHUVBMYBHKCDRP-IBGZPJMESA-N	402.516	3.830	10	20	HHCD	
Cc1ccc(SC[C@H](C)NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	770344457	LLFQFJUKXNWGBB-KRWDZBQOSA-N	417.550	3.951	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1	771656272	CTXNKGDPSMCNME-LJQANCHMSA-N	410.606	3.973	10	20	HHCD	
CC(C)C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1nccs1	773147760	GPIBOHIGELZDCT-CRAIPNDOSA-N	420.554	3.823	10	20	HHCD	
Cc1c(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cnn1C1CCCC1	773242122	LJYYWXVKPXERPC-UHFFFAOYSA-N	423.561	3.798	10	20	HHCD	
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773860271	XPXZBUFWRIHKAC-QGZVFWFLSA-N	402.498	3.939	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3c(C)cccc3F)n2)cc1	775139546	JZDSAGIKJXSRGH-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
CCOc1ccc(-c2noc(CN[C@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1	775253361	BDLWIWLVPDWDKA-QGZVFWFLSA-N	408.502	3.823	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)cc(Br)c1	777129488	GSUWALYLYOJSRQ-UHFFFAOYSA-N	418.335	3.811	10	20	HHCD	
O=C(C1CC1)N1CCN(c2ccc(NCc3cc(Cl)cc(Cl)c3O)cn2)CC1	777517163	YMKCQTUCQZDGPX-UHFFFAOYSA-N	421.328	3.765	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](CCc1ccccc1)C(F)(F)F	778623482	ABWVDDMYBDZZPK-HXUWFJFHSA-N	421.463	3.886	10	20	HHCD	
Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1ccc(O)c(O)c1	778916452	HFUNGVMCKSYEII-UHFFFAOYSA-N	403.891	3.654	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCCS(=O)(=O)Cc2ccccc2)c1O	779010615	FLNMQDURUNHDHN-AWEZNQCLSA-N	412.349	3.729	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1	779679575	BLCYQCQQTUAVQM-UHFFFAOYSA-N	416.566	3.851	10	20	HHCD	
CSCc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	782557536	BPFWOVMEMNKTQS-UHFFFAOYSA-N	403.523	3.525	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(CCN(C)C)cc2)cc1F	786118614	XQZGPWPGBMBSHU-UHFFFAOYSA-N	400.542	3.775	10	20	HHCD	
CC(C)n1nccc1CNC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	793036876	FFAKTAGXGSCKPF-HXUWFJFHSA-N	401.555	3.886	10	20	HHCD	
Cc1ccc([C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)[C@H](C)S(C)(=O)=O)cc1	798088116	HPNBSKJSYZHOLV-YVEFUNNKSA-N	412.895	3.526	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(C(N)=O)c3)cc2Cl)C1	799863554	WXJASJCSTULOPU-OAHLLOKOSA-N	414.937	3.675	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1[C@H]2CC[C@H]1Cc1ccccc1C2	804975704	RIYPGZWJKVKQSA-VXKWHMMOSA-N	405.542	3.516	10	20	HHCD	
O=C(NCc1ccccc1N1CCOCC1)NCc1cc(Cl)cc(Cl)c1O	806622652	RPSGLQVFSHSSQA-UHFFFAOYSA-N	410.301	3.535	10	20	HHCD	
CC(=O)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1	808014824	UZOUKJMETDUXLB-UHFFFAOYSA-N	407.278	3.943	10	20	HHCD	
COc1cccc(NCc2nnc(SCC(=O)C(C)=O)n2C2CCCCC2)c1	808017403	VJTQIFWUUFCDHO-UHFFFAOYSA-N	402.520	3.654	10	20	HHCD	
CC[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(C(F)(F)F)cc1O	812740094	AQOAFSWPFSJUGZ-GOSISDBHSA-N	407.436	3.906	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc(C)oc3C)c2C)cc1	814503228	BHEMVWKOZDZKHV-UHFFFAOYSA-N	410.426	3.525	10	20	HHCD	
N=C(NCc1ccc(OC(F)(F)F)cc1)NCc1cccc(Br)c1O	849105131	CUQNULGYMFCXNT-UHFFFAOYSA-N	418.213	3.867	10	20	HHCD	
CCCCOc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCC3)cc2)cc1	915082418	IUWAPAOWDJINEV-UHFFFAOYSA-N	409.530	3.512	10	20	HHCD	
O=C(N[C@H](CN1CCCC1)c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1	916468608	CBXGNZRMIDMIAH-DHIUTWEWSA-N	423.557	3.920	10	20	HHCD	
COc1ccc(CN(C)C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC	917075272	SRWPBWLEQARGBB-UHFFFAOYSA-N	413.562	3.639	10	20	HHCD	
Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	917711086	PZZITNJCFOLLFR-KSZLIROESA-N	400.494	3.831	10	20	HHCD	
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2c(O)ccc3ccccc23)CC1	921050538	SSQJEBYYVLMGBM-UHFFFAOYSA-N	410.901	3.922	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(Cl)cccc2s1	1116669276	MJXJGROXDHPBSW-AWEZNQCLSA-N	419.886	3.870	10	20	HHCD	
CC(C)n1ncc2c1[C@H](N1C(=O)CN(Cc3cc(Cl)ccc3O)C1=O)CCC2	1321146863	SQSQESYWNQMYIF-MRXNPFEDSA-N	402.882	3.665	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21	1324563541	JSYBIOOXZHYATA-AYBZRNKSSA-N	411.498	3.678	10	20	HHCD	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2	71872552	YMZDAAWEZUQMFO-UHFFFAOYSA-N	401.469	3.926	10	20	HHCD	
C=CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1	145531565	DQSUTYGJGNDQNP-SFHVURJKSA-N	410.514	3.517	10	20	HHCD	
C[C@@H]1CCCN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	303034068	UQMQZIYKDOQXMI-UYAOXDASSA-N	403.567	3.593	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(Cc4cccc(O)c4)CC3)ccc21	303775533	HTGMPKOLVRFFAQ-UHFFFAOYSA-N	421.541	3.568	10	20	HHCD	
CCN(Cc1c(F)cccc1F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	726101720	PFOIAUZDCTWNBV-UHFFFAOYSA-N	421.463	3.797	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1	728593450	WFPMOLWDYZNRGZ-QGZVFWFLSA-N	417.351	3.593	10	20	HHCD	
COc1ccc(O)c(CNC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1	734065669	HFKLPAXGBSGPSW-UHFFFAOYSA-N	423.444	3.792	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	735859848	PJMJOAQUDDTQPU-UHFFFAOYSA-N	405.520	3.523	10	20	HHCD	
COc1ccc(C2(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)CCC2)cc1	736195243	CVLQGGNECRFJIQ-UHFFFAOYSA-N	408.542	3.642	10	20	HHCD	
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742805061	FQUSIGNPHKZCLZ-AVYPCKFXSA-N	418.440	3.602	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccn(Cc4ccncc4)n3)cc2)CC1	743163887	DKGGFQSKLYXLFF-UHFFFAOYSA-N	404.518	3.884	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c1	743412740	MZKCHIDTOKRYGH-UHFFFAOYSA-N	405.882	3.904	10	20	HHCD	
C=C1c2ccccc2C(=O)N1CC(=O)N(CC)Cc1cc(Br)ccc1O	743807441	ABDBODZRBIVQTP-UHFFFAOYSA-N	415.287	3.630	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1	743893559	YWXOJAHIFDSUHP-UHFFFAOYSA-N	404.466	3.706	10	20	HHCD	
C[C@H](Cc1ccc(O)cc1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	745752393	DKBKFIMXGRZKSR-NVXWUHKLSA-N	419.472	3.893	10	20	HHCD	
COc1cccc(N2CC[C@@H](NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)C2)c1	745804655	GDBKDPROICXEOE-HXUWFJFHSA-N	410.562	3.960	10	20	HHCD	
CN(C)c1ccc(CNC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1F	746803378	UIGLVGXWHFHLJU-UHFFFAOYSA-N	413.493	3.557	10	20	HHCD	
C[C@@H](NC(=O)NC1CCN(C2CCCCC2)CC1)c1ccc(N2CCOCC2)cc1	747500590	KGXACPXKLIDNNG-LJQANCHMSA-N	414.594	3.681	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OC[C@H]3CCCN3c3ccc(C)nn3)ccc21	748860310	RMZMTIWZJKFWAJ-HXUWFJFHSA-N	422.529	3.829	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCN1C1CCCC1	749255485	CKOOHBMIEWAAEZ-OXQOHEQNSA-N	407.505	3.780	10	20	HHCD	
CC(=O)c1cc(Cl)cc(CN2CCc3c(cccc3N3CCOC3=O)C2)c1O	750057345	VFUAWPFPIJCMIZ-UHFFFAOYSA-N	400.862	3.763	10	20	HHCD	
C[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2ccccc2N(Cc2ccccc2)C1=O	750868108	TUKZPOPOTAJQFC-QFQMRYFISA-N	400.482	3.649	10	20	HHCD	
CCSCC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	751069397	LUAMMXJBEJIWQC-LBPRGKRZSA-N	414.574	3.516	10	20	HHCD	
Cc1sc(NC(=O)C(=O)c2cnn(C)c2)c(C(=O)OC(C)C)c1-c1ccccc1	751075916	GZPSWEIXRHQXCV-UHFFFAOYSA-N	411.483	3.844	10	20	HHCD	
COc1ccc(N2CCN(Cc3cccc(C(=O)NCc4ccco4)c3)CC2)cc1F	753857789	QQRPOKUIRDYSEM-UHFFFAOYSA-N	423.488	3.680	10	20	HHCD	
C[C@@H](NC(=O)c1cc(N(C)C)nc2ccccc12)c1ccc(N2CCOCC2)cc1	754170268	OVTKFFLOBNNDEO-QGZVFWFLSA-N	404.514	3.628	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(F)cc(C(F)(F)F)c1	755380865	BPLWVIHJIFYMCX-UHFFFAOYSA-N	410.411	3.983	10	20	HHCD	
COc1cc(OC)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F	755834153	TYPVYNYOQVRGHS-HNNXBMFYSA-N	404.438	3.762	10	20	HHCD	
C[C@H](NCCC(=O)N(C)Cc1ccccc1Br)c1ccc(F)cc1O	756562971	KJWMBTMHBWFXDD-ZDUSSCGKSA-N	409.299	3.993	10	20	HHCD	
C[C@@H](Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(Br)cc1O	756801379	AACDOTGOQSEDIP-LLVKDONJSA-N	424.726	3.917	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)/C=C/c3ccc(Cl)nc3)cc2F)C[C@@H](C)O1	758511290	OKLLUOGFBZRRRY-CZXPBSPDSA-N	403.885	3.817	10	20	HHCD	
COC(=O)COc1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c2ccccc12	758645693	CKOYVSCVDHGEDP-AWEZNQCLSA-N	424.453	3.989	10	20	HHCD	
CN1C(=O)N(Cc2ccc(N3CCCC3)cc2)C(=O)[C@H]1c1cc(F)c(F)c(F)c1	761093916	VZJTWVVVBVKKSS-LJQANCHMSA-N	403.404	3.839	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	761787985	PNAQGUSUVTVZTO-QHCPKHFHSA-N	422.573	3.864	10	20	HHCD	
COC(=O)c1cccc([C@@H](C(=O)OC)N(C)Cc2ccc(N3CCCCC3)cc2)c1	764141100	VQDQEXSAHLKRGQ-QFIPXVFZSA-N	410.514	3.810	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)NC[C@@H]1SCCc2ccccc21	764791584	NUEMKEMMTNLIRO-INIZCTEOSA-N	407.333	3.985	10	20	HHCD	
C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1	765008491	BCMGTJAVDISYFR-GCJKJVERSA-N	411.521	3.677	10	20	HHCD	
Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c(C)n1	769977433	DVSIEGAEXQLJEF-UHFFFAOYSA-N	403.485	3.519	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCCCc1cccs1)c2[N+](=O)[O-]	770353699	MSDDGDLGOSJJAY-UHFFFAOYSA-N	420.446	3.794	10	20	HHCD	
C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(N(C)C)cc1	773611869	AJRYOXWIWRYNGJ-YJYMSZOUSA-N	418.900	3.711	10	20	HHCD	
Cc1cc(Br)ccc1NC(=O)CNCc1cc(Cl)cc(F)c1O	776100290	COFZFRIAEVFNFZ-UHFFFAOYSA-N	401.663	3.984	10	20	HHCD	
CO[C@H](CNCc1cc(Br)cc(Br)c1O)C(F)(F)F	776175260	ZEGZELAWIDJBAN-SECBINFHSA-N	407.024	3.584	10	20	HHCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](O)Cc1cccc(C(F)(F)F)c1	778607575	NLHBHJIIAUMATE-HXUWFJFHSA-N	406.448	3.916	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(NC(=O)CCN2CCCCC2)cc1	779512025	WYONUFKVWKWBQQ-WZUFQYTHSA-N	409.486	3.564	10	20	HHCD	
C[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1c[nH]c2ccccc12	782724521	DMCGIOQQGWVSIF-IEBWSBKVSA-N	418.541	3.680	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c2ncccc12	784106680	MDWHJYGMHKFVPJ-UHFFFAOYSA-N	418.497	3.988	10	20	HHCD	
O=C(N[C@H](c1cccs1)C1CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	785788572	NXKDGMMWXVVSBP-FQEVSTJZSA-N	410.495	3.843	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2CCN(c3cccc(Br)c3)C2)cc1OC	787303734	RQUYMJLCFCAJLN-OAHLLOKOSA-N	407.308	3.540	10	20	HHCD	
COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OCC2CC2)c1	788172442	MQEUOSKCUULQHR-QGZVFWFLSA-N	410.514	3.812	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccccc1)CC1CCC1	788931263	ZOWQIYIGRSDULT-UHFFFAOYSA-N	405.542	3.732	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1	789378181	NTQGBBKLKCLCDW-UHFFFAOYSA-N	423.517	3.825	10	20	HHCD	
Oc1ccc(Cl)c(F)c1CN1CCN(Cc2nc(-c3ccccc3)no2)CC1	792162540	KSMMXBRDEXBMDD-UHFFFAOYSA-N	402.857	3.553	10	20	HHCD	
CN(C)c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(C(F)(F)F)c1	792996923	JCXYPXGLUDIALQ-DENIHFKCSA-N	421.507	3.744	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F	797702522	IKOXGZOSSHMZMT-UHFFFAOYSA-N	418.534	3.880	10	20	HHCD	
Cc1ccn2c(=O)c(C(=O)NCc3ccc(N4CCC[C@H](C)C4)c(Cl)c3)cnc2c1	800050564	XTQRCUVZHWQCRN-INIZCTEOSA-N	424.932	3.823	10	20	HHCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)C[C@H](O)C(F)(F)F)cc2Cl)C1	800720376	SDJLDFXIZNUKQB-WBMJQRKESA-N	407.864	3.641	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OC[C@H]3CCN(C(=O)c4ccccc4)C3)cs2)cc1	801306382	AASGWYOANVESSX-KRWDZBQOSA-N	421.522	3.635	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1)c1ccc(N(C)C)cc1	802298174	MCZOXHIKOOIIDY-KRWDZBQOSA-N	404.518	3.769	10	20	HHCD	
CCS[C@H]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	805025687	UAJCMXKRKNMULZ-RTWAWAEBSA-N	417.619	3.672	10	20	HHCD	
O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809645029	NTICUVMAZRJBET-HXUWFJFHSA-N	417.475	3.750	10	20	HHCD	
CON(C)C(=O)C1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	812712848	KCNVKVQLMFNQLP-UHFFFAOYSA-N	417.937	3.548	10	20	HHCD	
C[C@H](NCc1cc(Br)ccc1O)c1ccc(N2CCCNC2=O)cc1	812801082	CJHIQNJRSCDQPM-ZDUSSCGKSA-N	404.308	3.925	10	20	HHCD	
CN(CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(N2CCOCC2)cc1	813735267	FSMKFZHVSBWSPD-XMMPIXPASA-N	407.558	3.539	10	20	HHCD	
C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cc(Cl)c(F)cc1O	816574559	MBGGYBYTGDXYIX-ZDUSSCGKSA-N	412.914	3.918	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c(C)n1-c1ccccn1	914847908	NQQFVNDDZJPCNQ-UHFFFAOYSA-N	418.906	3.766	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1	915147338	AOCLMFMBQOLJCC-RTBURBONSA-N	410.562	3.812	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H](O)COc2ccc(Br)cc2)C2CC2)cc1	917014283	QUQUYWMHBRESIQ-FQEVSTJZSA-N	419.363	3.919	10	20	HHCD	
CC(=O)NCC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1	917461089	HFZLDZPPEBDNEN-UHFFFAOYSA-N	420.509	3.822	10	20	HHCD	
CCN(CC)C(=O)c1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	918028409	YDNAEDHDFOTQLC-UHFFFAOYSA-N	424.545	3.921	10	20	HHCD	
CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	918423633	DWKRSQIDCSOICF-LJQANCHMSA-N	423.473	3.778	10	20	HHCD	
Cc1cc(C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)c(C)n1-c1ccccn1	920037260	HOBWHWXPPAGKJN-UHFFFAOYSA-N	408.546	3.790	10	20	HHCD	
COc1cccc(CC(=O)N2CCN(Cc3cc(C)cc(C(C)(C)C)c3O)CC2)c1	921057267	UMDYZHJMJRAJTF-UHFFFAOYSA-N	410.558	3.894	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnco2)cc1	1793805493	DFVJYVWAWSXFQF-NUZGMZIFSA-N	418.497	3.648	10	20	HHCD	
COc1ccc(N2CCN(C(=O)CNc3ccc(Br)cc3C)CC2)cc1	69595979	CYWBDRZWOGYBKM-UHFFFAOYSA-N	418.335	3.527	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)[C@@H](NC(=O)CC(C)C)c3ccccc3)CC2)cc1	110562138	XHAYNKYDUVNVIY-DEOSSOPVSA-N	423.557	3.638	10	20	HHCD	
CCc1cc(=O)[nH]c(-c2ccc(NCc3ccc(N4CCSCC4)cc3)nc2)n1	111227936	FYGPQMNXYQFQGW-UHFFFAOYSA-N	407.543	3.560	10	20	HHCD	
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1Oc1cccnc1	144074241	IAHPOAZQMJCOCM-UHFFFAOYSA-N	418.497	3.845	10	20	HHCD	
CCOc1ccc(O)c(CNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1	237076485	KBKSLUQLNGUTDU-FQEVSTJZSA-N	424.463	3.973	10	20	HHCD	
CC(=O)N(c1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cs1)C1CC1	303575762	COHJEFDKOVPNMJ-LJQANCHMSA-N	401.532	3.545	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)C[C@H](C)c3cccc(F)c3)cc2F)CC1	303738950	XSRXLRSZUDEYLB-KRWDZBQOSA-N	401.501	3.917	10	20	HHCD	
Cc1nccc(NCc2cccc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2)n1	543590211	DJSBDTNTGGWYMV-UHFFFAOYSA-N	403.486	3.502	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc(OC)c1OC	726197563	UTJKCFYKYKEPQJ-ATVHPVEESA-N	416.524	3.551	10	20	HHCD	
C[C@@H]1CCCCN1[C@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726612678	DFWKYCQKHFNDKZ-IAGOWNOFSA-N	424.536	3.819	10	20	HHCD	
COc1cccc(CNC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c1O	731225801	RIMMXWPGJJLTFN-UHFFFAOYSA-N	414.465	3.887	10	20	HHCD	
CC[C@@H]1CCCCN1CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	733351586	KIYPMNLNFMOIDN-WSTZPKSXSA-N	420.573	3.503	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2	734404960	MIXONSBESCLISW-NRFANRHFSA-N	415.946	3.960	10	20	HHCD	
CC(C)(CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)Cc1ccccc1	735325209	OOFWBRFMOZHIKU-UHFFFAOYSA-N	409.574	3.963	10	20	HHCD	
O=C(CCCc1ccc2nc(O)[nH]c2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517457	BVPLAQQNPXSQCT-SFHVURJKSA-N	409.486	3.505	10	20	HHCD	
Cc1oc2c(CN3CC[S@](=O)[C@@H](C)[C@H]3C)c(O)ccc2c(=O)c1-c1ccccc1	736597186	CIXOKJBGYBSLPB-NIDLEFHJSA-N	411.523	3.815	10	20	HHCD	
Cc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1C(=O)N1CCCC1	741058234	DMHKCAYCJXGPNN-UHFFFAOYSA-N	404.514	3.929	10	20	HHCD	
CCO[C@@H]1C[C@@H](O)C12CCN(CC(=O)c1cc(C)n(-c3cccc(F)c3)c1C)CC2	741251099	IYGWFDODQZRPSN-DHIUTWEWSA-N	414.521	3.668	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	743624000	MYZHLLDVJNYPSU-UHFFFAOYSA-N	422.485	3.724	10	20	HHCD	
Cc1nccn1CCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743631537	UDWWUDQXXANGAZ-KRWDZBQOSA-N	421.492	3.541	10	20	HHCD	
CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)cs2)NC(=O)OC(C)(C)C)cc1	743725156	GTBNLNOXSAMFPF-MRXNPFEDSA-N	405.520	3.516	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1	743808078	PAOHIBGNBPIBTI-GFCCVEGCSA-N	423.273	3.778	10	20	HHCD	
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)n1	745578331	SKGKRJIMBYZGOQ-KRWDZBQOSA-N	415.538	3.745	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C	745859675	CRKOMDMEGGLOLR-DJIMGWMZSA-N	411.340	3.890	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)cc1	746105294	TYGQXWQWDNJIPJ-HXUWFJFHSA-N	414.594	3.855	10	20	HHCD	
CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C12CCCCC2	748625030	KGWSOXLIZAWVRT-YADHBBJMSA-N	415.578	3.793	10	20	HHCD	
O=C(CCCn1c(=O)oc2ccccc21)Nc1c(-c2ccccn2)nc2ccccn12	751299141	JMKWOMFVYFYCGP-UHFFFAOYSA-N	413.437	3.723	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(C)nc(C(C)C)nc3SC)CC2)cc1F	753740136	ODOIRLLUBAJDAO-UHFFFAOYSA-N	418.538	3.740	10	20	HHCD	
C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCS1	755228401	QXXJGGQTDPPDMD-AWEZNQCLSA-N	417.497	3.579	10	20	HHCD	
C[C@H](N[C@H](CO)C[C@H](O)c1ccccc1)c1cc(Br)cc(Cl)c1O	756771320	VDVFVIDGCNVPEN-YLVFBTJISA-N	414.727	3.943	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ncc(Br)s1	756928816	YRJLIEWBJCGHID-CYBMUJFWSA-N	410.381	3.965	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)c(C)n1Cc1ccco1	759596364	VAPZQWZOJXLFBZ-DYLHUKMJSA-N	409.438	3.985	10	20	HHCD	
Cc1c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)oc2ccc(F)cc12	760546437	VOUVKPCOIAZFLN-HNNXBMFYSA-N	418.490	3.756	10	20	HHCD	
CCOc1ccc(-c2cn(C3CN(Cc4cc(Cl)cc(OC)c4O)C3)nn2)cc1	761216464	XXRPBVWQIOLUFH-UHFFFAOYSA-N	414.893	3.768	10	20	HHCD	
CS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	763911004	JMLSWMXGCSWJBO-LJQANCHMSA-N	400.504	3.550	10	20	HHCD	
Cc1c(C(=O)NCc2cccc(Br)c2O)[nH]c2c1C(=O)CC(C)(C)C2	765755508	JBQZOMKFKGHJSU-UHFFFAOYSA-N	405.292	3.876	10	20	HHCD	
CC[C@@H](NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccc2c(c1)OCCO2	765853891	WFLVWQWGLRSPHX-OAQYLSRUSA-N	413.537	3.980	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCOC2(CCOCC2)C1	769201919	WUWPPJDUUIWYAS-HXUWFJFHSA-N	401.551	3.547	10	20	HHCD	
CC(C)N(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)CC1CCC1	769927031	MKASGXAFASUJOR-ROUUACIJSA-N	405.558	3.566	10	20	HHCD	
O=C(Cc1ccccc1I)NCCCSc1nccs1	771492579	REAHBKCXUGBKNP-UHFFFAOYSA-N	418.325	3.589	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1n[nH]c(-c2ccccc2)c1Br	773752341	ZNQICKKVTMNNFN-NSHDSACASA-N	416.275	3.611	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN(CCc2ccc(C)cc2)C[C@H]2CCCO2)c1O	774907921	IUIHGCGBLIVTMZ-LJQANCHMSA-N	400.475	3.841	10	20	HHCD	
C[C@H](NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)c1ccc(N(C)C)cc1	775589468	QVPGMLPSIHSDAP-AWEZNQCLSA-N	412.515	3.831	10	20	HHCD	
Cc1cc(Br)cc(CN2CCC(NC(=O)c3ccsc3)CC2)c1O	775663189	ZRGFUYCHKXIWRW-UHFFFAOYSA-N	409.349	3.919	10	20	HHCD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNCc3cccc(Cl)c3O)cc2)C1	776025310	SCCBAVWEURBPEF-OAHLLOKOSA-N	408.951	3.756	10	20	HHCD	
CN1CCCc2cc(CNC(=O)Nc3ccc(S(C)(=O)=O)c(C(F)F)c3)ccc21	776036065	RNRBZGUWYXOGCH-UHFFFAOYSA-N	423.485	3.732	10	20	HHCD	
COC(=O)N1CCC([C@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)CC1	776862540	WJAIGNZAWRKMKA-QWRGUYRKSA-N	403.292	3.811	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1COC2(CCCCCC2)O1	776896098	KMSQXMSRRBSHQH-HXUWFJFHSA-N	419.591	3.505	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)cc1	777129780	KAAZMFWIHYWLND-UHFFFAOYSA-N	419.566	3.565	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccnc2-c2ccc(C)s2)c1	782543974	JTHRZTKKCANLRE-CYBMUJFWSA-N	411.483	3.649	10	20	HHCD	
CC(C)(C)OCCCOC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785412205	HCQXFUGPAFHLBS-UHFFFAOYSA-N	413.517	3.617	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)cc1	787890987	DJUXFWPNGWMQDP-UHFFFAOYSA-N	408.329	3.772	10	20	HHCD	
COc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1C(F)(F)F	790953704	KXBTYPINZGYELF-GFCCVEGCSA-N	409.408	3.596	10	20	HHCD	
CCS(=O)(=O)c1ccc(CNCc2cc(Br)cc(C)c2O)s1	793204802	LYZGFATVFAFVPT-UHFFFAOYSA-N	404.351	3.608	10	20	HHCD	
CC(=O)c1ccc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c([N+](=O)[O-])c1	795242379	UJBFLHFWPVLAAN-UHFFFAOYSA-N	419.437	3.620	10	20	HHCD	
CCCC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(OC)cc1	804595719	BHDGREPFGCKXCD-HSZRJFAPSA-N	421.541	3.735	10	20	HHCD	
CC[C@@H](NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1cccc(Cl)c1O	806136975	FLJNJURSTMXPEY-WIYYLYMNSA-N	415.965	3.984	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC2(CCOCC2)CC1	806685711	XFQVISQXIPCINU-UHFFFAOYSA-N	423.504	3.859	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1	807095739	DXRKUPDGXNIFCQ-OAHLLOKOSA-N	421.463	3.916	10	20	HHCD	
C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	807190974	CMWSQODKUYHPPN-QMHKHESXSA-N	423.532	3.823	10	20	HHCD	
C[C@H](NC(=O)C(=O)NCc1ccc(-c2ccco2)cc1F)c1ccc(N(C)C)cc1	807678283	WCCCCTCMBZWAFS-HNNXBMFYSA-N	409.461	3.645	10	20	HHCD	
NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)c(C(F)(F)F)c1	808090264	WJTQHADCGIJSAY-UHFFFAOYSA-N	415.220	3.977	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@@H]2CCCS(=O)(=O)C2)cc1	809244083	AZPGURSOVHMFSG-INIZCTEOSA-N	414.531	3.723	10	20	HHCD	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1	818783399	DVAXIRFUERNHQX-UHFFFAOYSA-N	410.423	3.676	10	20	HHCD	
CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	914903968	WMYUDLPJXKEAKY-MRXNPFEDSA-N	405.454	3.876	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1	916216198	RJNIMBMLOAMRHP-DEOSSOPVSA-N	424.589	3.666	10	20	HHCD	
C[C@H]1CCCN(CCCCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	916504108	QEBYOCBYTQDHEW-FPOVZHCZSA-N	403.567	3.595	10	20	HHCD	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1	916624536	DVWTZQWFXRTULB-UHFFFAOYSA-N	424.570	3.762	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(-n4cccn4)c3)cc2F)C[C@@H](C)O1	916682049	CJXZLNNLTGHAQR-IAGOWNOFSA-N	423.492	3.947	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2OC(F)F)cc1	918310096	MGKXOCCGNKULOQ-UHFFFAOYSA-N	405.445	3.731	10	20	HHCD	
Fc1cc(CN[C@@H]2CCc3ccccc3C2)ccc1N1CCN(c2ncccn2)CC1	920180631	RKEYJWISGAIUOQ-JOCHJYFZSA-N	417.532	3.589	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Sc1ccccc1Cl	1254761029	JHTMIDFUUSJWPB-WFASDCNBSA-N	423.918	3.522	10	20	HHCD	
C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(N(C)C)cc1	302475047	XACUZRFCCPBNOG-HNNXBMFYSA-N	418.519	3.618	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1	302832182	GKSBDFRSTPSTSA-MRXNPFEDSA-N	419.865	3.574	10	20	HHCD	
CCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1	482899406	NXNYDHZTTYRLIN-UHFFFAOYSA-N	407.514	3.584	10	20	HHCD	
O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cnn(-c2ccc(Cl)cc2)c1)CC3	611744195	MJBQDJGZYOADPX-NTEUORMPSA-N	418.840	3.878	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)cc1F	726630019	ROPBENPYXBSBCD-CXUHLZMHSA-N	423.512	3.644	10	20	HHCD	
CCOC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1	727249838	BYMSUOIGFUTLRX-UHFFFAOYSA-N	406.485	3.997	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccc2c(c1)OCCCO2	727273219	YKLIJYBFWKWARA-UHFFFAOYSA-N	413.543	3.513	10	20	HHCD	
COc1cccc(CNC(=O)COc2ccc(C3SCCCS3)cc2)c1O	727761029	JSILYZKUEMEYKH-UHFFFAOYSA-N	405.541	3.965	10	20	HHCD	
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NCc1ccc(N2CCCC2)cc1	728395620	CGYQZWGCOMDUFO-UHFFFAOYSA-N	408.546	3.720	10	20	HHCD	
O=C(NCCCSc1nccs1)C1CCN(C(=O)Nc2ccccc2)CC1	733972321	CNRMSZJOGRXDDH-UHFFFAOYSA-N	404.561	3.686	10	20	HHCD	
CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)NC(=O)OC(C)(C)C	734527206	ZLSRMKDLGSSWRI-LJQANCHMSA-N	404.555	3.635	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)c3cc4c(C)c(C)ccc4[nH]3)CC2)cc1	735030562	DDGLEMHSCPNJDV-UHFFFAOYSA-N	420.557	3.735	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CCc3n[nH]cc3C2)sc(C)c1-c1ccccc1	735872188	PBQBSDRJCJGCOQ-UHFFFAOYSA-N	424.526	3.620	10	20	HHCD	
Cc1ccc(C[C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	738501476	WJCJXDKNZFWGKZ-AWEZNQCLSA-N	405.539	3.587	10	20	HHCD	
CSc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	741097730	XGUHYACJIJNJSE-UHFFFAOYSA-N	401.919	3.693	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3Cn3cccn3)cc2F)C[C@H](C)O1	741140708	VSVBNKNUOVVUEI-ROUUACIJSA-N	422.504	3.614	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cc1	741656857	MLANMVKNLZBMLZ-UHFFFAOYSA-N	419.528	3.577	10	20	HHCD	
COc1cc(N(C)Cc2ccc(I)cc2)cc(OC)c1OC	743850336	JRPLOFIHFDUAPJ-UHFFFAOYSA-N	413.255	3.953	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1coc(-c2ccccc2)n1	745848300	YJOMKLLEWIALNA-UHFFFAOYSA-N	406.486	3.520	10	20	HHCD	
CC(C)[C@H](CN[C@H](C)c1cc(Br)cc(Cl)c1O)N1CCOCC1	756368698	RARUQXMGMHICFC-WBMJQRKESA-N	405.764	3.816	10	20	HHCD	
COc1ccccc1CC(=O)N1CCC(N[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1	756511031	KYQIKIAVSBHNLD-DNVCBOLYSA-N	412.505	3.912	10	20	HHCD	
C[C@H](N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1cc(Br)c(F)cc1O	756659953	QUBCEJQYMBMYQW-VUCTXSBTSA-N	401.320	3.588	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	758734496	PDSNCANOFCZHOB-MOPGFXCFSA-N	411.546	3.771	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3cc(F)ccc3Cl)CC2)cc(OC)c1OC	759968981	FFYPYLFKXRXETO-UHFFFAOYSA-N	423.872	3.859	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(C(F)(F)F)ccc1F	760680045	MOJLXDSPYVAECL-UHFFFAOYSA-N	414.374	3.875	10	20	HHCD	
C[C@H]1CN(c2ccc(CN3C(=O)NC4(CCCCCC4)C3=O)cc2F)C[C@@H](C)O1	761101706	UHNDLQSRESSJBH-IYBDPMFKSA-N	403.498	3.584	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H](c1ccccc1)[C@@H]1CCCO1	761116683	HGBQTOKSGAUGHE-ICSRJNTNSA-N	400.862	3.730	10	20	HHCD	
Cc1cc(=O)n(CC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)cn1	762202480	OJTGOMHJUXWKCX-UHFFFAOYSA-N	405.376	3.741	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1	764857487	XFLFHYGXKFMWLM-UHFFFAOYSA-N	409.574	3.667	10	20	HHCD	
CNc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cccc1[N+](=O)[O-]	765549968	AIWXBBNIONLUHB-ZDUSSCGKSA-N	420.416	3.637	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C\c2cncc(Br)c2)SC1=S	767340971	LJDYUGWQDCALOL-KPKJPENVSA-N	415.334	3.690	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	768165352	CYZSXIDHUJMJHJ-RBUKOAKNSA-N	418.459	3.733	10	20	HHCD	
CCOC(=O)c1ccc(N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)nc1	768265333	XAZXTPFCIWBZKU-UHFFFAOYSA-N	408.546	3.571	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1	769109317	NZRJALDWCQZUCI-GOTSBHOMSA-N	403.530	3.986	10	20	HHCD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1	769494069	WHUKMVJBJPEZFA-NJYVYQBISA-N	414.594	3.792	10	20	HHCD	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769943077	QQFIIEPXFZVREK-QWHCGFSZSA-N	410.923	3.681	10	20	HHCD	
CCS(=O)(=O)C1CCN(CC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1	770034394	PFDJAJFKMQVTSR-UHFFFAOYSA-N	416.587	3.793	10	20	HHCD	
Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	770720028	KLORVQGDUBMIMQ-UHFFFAOYSA-N	422.298	3.560	10	20	HHCD	
Cc1cc(C(=O)N(C)CCc2cnccn2)c(C)n1-c1ccccc1Br	771302785	NPSBVFFTGLZKAD-UHFFFAOYSA-N	413.319	3.961	10	20	HHCD	
O=C(Nc1ccc(C(F)(F)F)cn1)C(=O)N(Cc1ccco1)Cc1ccccc1O	772927713	JSMPIZGAICGRFE-UHFFFAOYSA-N	419.359	3.567	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)c1ccc(N(C)C)cc1	773849785	ZYPCEFFDEJMQKU-SFHVURJKSA-N	408.546	3.554	10	20	HHCD	
CCOc1ccc(C[C@H](CNCc2cccc(Br)c2O)C(=O)OC)cc1	779432634	XZEHSXNBLXFOCS-MRXNPFEDSA-N	422.319	3.675	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(NC(=O)CN2CCCCCC2)c1	779511248	SAYYIZUSZWTDCJ-LUAWRHEFSA-N	409.486	3.564	10	20	HHCD	
Cc1cc(C(=O)CN2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(Br)cc1	780358944	OWNKIDRCJXBMJC-HZPDHXFCSA-N	405.336	3.742	10	20	HHCD	
Cc1nscc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	781338864	DVFICNDYQJSLKS-KRWDZBQOSA-N	404.536	3.513	10	20	HHCD	
Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	781959803	ACNBAKGGPSXQOW-UHFFFAOYSA-N	422.485	3.544	10	20	HHCD	
CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(Cl)c1	782104607	HEWXAXYWFWVYQO-UHFFFAOYSA-N	415.921	3.982	10	20	HHCD	
O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(OCCOC[C@@H]3CCCO3)cc2o1	782305882	VRCLUCPANOJXMB-SFHVURJKSA-N	411.410	3.943	10	20	HHCD	
Oc1ccccc1CN(Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C[C@H]1CCCO1	782949819	MWPSLOXRBJKAMW-GOSISDBHSA-N	416.884	3.947	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	783502458	DPWAMFBFGVTHQR-SFHVURJKSA-N	421.557	3.666	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1	784647944	SSDSJUYSYKRCCP-UHFFFAOYSA-N	419.472	3.805	10	20	HHCD	
Cc1ccc(C2=CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)cc3)CC2)cc1	788928653	BLYBIAYYASTBDK-UHFFFAOYSA-N	403.526	3.527	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(Br)c(F)cc2O)s1	794827072	HAQVCKRQHUKYQY-SECBINFHSA-N	422.341	4.000	10	20	HHCD	
CC1(C(=O)COC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1	795418727	DGXDEOHORLTWAJ-RAXLEYEMSA-N	409.554	3.642	10	20	HHCD	
O=C1[C@@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)CCN1CC(F)(F)F	796303930	IYMBRLDXRQLMGK-IBGZPJMESA-N	403.448	3.502	10	20	HHCD	
CCN(CC)c1ccc(CNc2cc(S(=O)(=O)NC3CC3)ccc2OC)cc1F	796409677	VEXWZQDXZDYUIC-UHFFFAOYSA-N	421.538	3.733	10	20	HHCD	
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	796776039	RXPBRPBLIKCVCH-SFHVURJKSA-N	421.501	3.980	10	20	HHCD	
COc1ccc(CNC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)c(O)c1	797389343	BQIFFDXMKYOLEA-UHFFFAOYSA-N	413.499	3.563	10	20	HHCD	
COc1ccc2c(c1)CCCN2Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1	797718932	JTJRMRJFXWLMLP-UHFFFAOYSA-N	411.458	3.724	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F	801546568	VFCKYYDPONDGLR-UHFFFAOYSA-N	422.522	3.661	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1	802610775	QKJIEBONCCTKGA-UHFFFAOYSA-N	422.485	3.772	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1	805235997	XMBBHVIKTSGBAN-CQSZACIVSA-N	422.312	3.547	10	20	HHCD	
Cc1cc(-c2csc(NC(=O)[C@H]3CCC(=O)N3C)n2)c(C)n1-c1ccc(F)cc1	806351633	RILQGDHKGFOAPR-GOSISDBHSA-N	412.490	3.916	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(c2cccs2)CCCCC1	807399866	NSMZYEDOCDWXBY-UHFFFAOYSA-N	413.587	3.791	10	20	HHCD	
CC1(C)CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]1[C@@H]1CCCO1	812024281	KTEOZOWOGAVSCT-RBUKOAKNSA-N	423.504	3.856	10	20	HHCD	
Cc1cc(C(=O)NC[C@@H](CO)Cc2cnn(C)c2)c(C)n1-c1cccc(C(C)C)c1	816516074	UKMQGSYUHAIJMY-FQEVSTJZSA-N	408.546	3.532	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(CCN(C)C)cc1	816940414	CCLKATXQHRHGPW-UHFFFAOYSA-N	405.336	3.921	10	20	HHCD	
CC(=O)N1CCc2cc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc21	916673627	BFZQANXAFBNCBO-FQEVSTJZSA-N	409.486	3.514	10	20	HHCD	
O=C(CN1CCC(C2CCCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1	917060017	PEEAAXLOHAWLDJ-UHFFFAOYSA-N	417.569	3.571	10	20	HHCD	
CCOC(=O)Cc1csc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1	918000882	UWLAEHPUSHAKFL-UHFFFAOYSA-N	402.520	3.511	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)Cn2cccn2)c(C)n1-c1ccccc1Br	918110619	NGZLHZYVSPBATL-CYBMUJFWSA-N	401.308	3.872	10	20	HHCD	
CC(C)(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	918411540	ZTAKWYVAYZKFRC-UHFFFAOYSA-N	421.501	3.757	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N	14152202	RUVAPWCWFXWEOZ-ZDUSSCGKSA-N	413.499	3.996	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cccc(Cn4nc(C)cc4C)c3)CC2)cc1	110355464	PSQWYICHLOSOBC-UHFFFAOYSA-N	418.541	3.956	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1F	303747021	ASSLGCLKFIXFHF-AEFFLSMTSA-N	407.530	3.982	10	20	HHCD	
Cc1onc(-c2cccnc2)c1C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21	513298201	FVGPDIJIZDWSLG-HNNXBMFYSA-N	424.888	3.921	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(Cc4ccsc4)CC3)ccc21	534523572	BJYFXBBIFKBBKD-UHFFFAOYSA-N	411.571	3.924	10	20	HHCD	
CCC1(CC)CN(C(=O)c2ccoc2CC(N)=O)c2ccc(Br)cc21	560589146	QRJZSWWYRFVGGE-UHFFFAOYSA-N	405.292	3.788	10	20	HHCD	
O=C(CNCc1cccc(Br)c1O)Nc1ccc(Br)cc1	725849274	CJBRRAXIFVJBDE-UHFFFAOYSA-N	414.097	3.646	10	20	HHCD	
CN(C)C(=O)c1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1	726092510	WCZGSWXYJNPCJF-UHFFFAOYSA-N	407.470	3.599	10	20	HHCD	
Cc1nn(CCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c(C)c1[N+](=O)[O-]	726530079	DYGRUWNYSSJQCU-UHFFFAOYSA-N	413.522	3.884	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3C(C)(C)C)CC2)cc1	726726092	NMMNXZPMANKLGO-UHFFFAOYSA-N	409.530	3.716	10	20	HHCD	
CCc1ccc(-c2csc(NS(=O)(=O)c3sc(NC(C)=O)nc3C)n2)cc1	727243876	HFNVTTFVDVYITR-UHFFFAOYSA-N	422.557	3.897	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=S)NCCc3cccs3)cc2F)C[C@H](C)O1	727696689	INXQEQZTHKNGDD-GJZGRUSLSA-N	407.580	3.708	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc3c(cc2Br)OCCO3)c1	729034029	AWGOBIPRIOEVLS-JTQLQIEISA-N	423.263	3.817	10	20	HHCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1nnnn1-c1ccccc1	731036782	QRCBPKAKQDJHDL-UHFFFAOYSA-N	420.517	3.640	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccccc3N3CCOCC3)cc2)CC1	731115664	FDLWAQMYWKMJTM-UHFFFAOYSA-N	422.573	3.759	10	20	HHCD	
CC(=O)NC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)CCCC1	731253705	HIOIVRDDWUXZAR-UHFFFAOYSA-N	414.477	3.716	10	20	HHCD	
COc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2ccccc2O)cc1	731843723	UMKOGPMSYHYBBH-UHFFFAOYSA-N	419.481	3.724	10	20	HHCD	
CCOC(=O)[C@@]1(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CCc2ccccc21	733783348	HMMYVWLEBCBFOW-XMMPIXPASA-N	403.482	3.624	10	20	HHCD	
O=C(c1cccc(Oc2cnccn2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	736675063	XQTKFOKPXPOTDW-HXUWFJFHSA-N	405.454	3.796	10	20	HHCD	
CCc1cc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)on1	741190577	IVIMJJYYTJICIO-GDNBJRDFSA-N	421.569	3.596	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cnc(O)c(Br)c3)cc2)CC1	742071512	NMCZRCIYVJSZDP-UHFFFAOYSA-N	404.308	3.716	10	20	HHCD	
O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1Cl	742334607	QCYHOFIRYBJWHY-CYBMUJFWSA-N	416.877	3.889	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(C)n1C	742749161	DCJSJWGWXIDRSZ-FQEVSTJZSA-N	414.550	3.704	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)OCC(=O)NC3CCN(C(C)C)CC3)c2C)c1	744481431	FZZNMDJKACVEFK-UHFFFAOYSA-N	411.546	3.548	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccccc1)Cc1cc[nH]n1)c1ccc(N2CCOCC2)cc1	745778539	DGFHATZJTREBQR-IBGZPJMESA-N	419.529	3.719	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCN(C2CCCC2)CC1	745903614	IAFIARXOQNFCMH-KRWDZBQOSA-N	422.520	3.527	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)ccc21	749947499	GDXHNGMMAVUCHS-OAHLLOKOSA-N	417.550	3.795	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCN(C)c4ccccc43)cc2F)C[C@@H](C)O1	750728403	JJBPGJKBCVDEKJ-MBOZVWFJSA-N	411.521	3.679	10	20	HHCD	
COc1ccc(-c2noc(COC(=O)c3csc(Cc4ccc(N)cc4)n3)n2)cc1	751938390	ZQGRECSOESILLM-UHFFFAOYSA-N	422.466	3.732	10	20	HHCD	
COc1ccc(N(C)CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c(OC)c1	752123468	CHLMNFOLMIBFMA-SFHVURJKSA-N	409.442	3.704	10	20	HHCD	
CCNC(=O)COc1ccc(CN[C@@H](C)c2ccc3ccccc3c2O)cc1OC	756432915	LBTCHOCTEHXJRE-INIZCTEOSA-N	408.498	3.920	10	20	HHCD	
C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1cc(Br)cc(F)c1O	756475329	OGOQRHDCBMDCOS-GFCCVEGCSA-N	416.312	3.808	10	20	HHCD	
C[C@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)c(F)cc1O	756780203	WQDPGEMBGWJPPT-JTQLQIEISA-N	403.292	3.811	10	20	HHCD	
C[C@H](N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756832445	GMSVSNWGFCRDJP-HTAPYJJXSA-N	419.481	3.879	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)Nc3ccccc3O[C@@H]3CCOC3)CC2)cc1	760063704	VEQLHLUNSFZCMR-HXUWFJFHSA-N	411.502	3.607	10	20	HHCD	
CC(C)(C)OC(=O)CCCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761360033	JEKROSVMVPYTRB-UHFFFAOYSA-N	410.898	3.712	10	20	HHCD	
Cc1cc(C(=O)N2CCS(=O)(=O)CC[C@H]2C)c(C)n1-c1cccc(C(C)C)c1	762510994	XESBYQYZMAFSTC-MRXNPFEDSA-N	402.560	3.867	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(F)cc(Cl)c3)cc2)CC1	764259011	FBAVLMXHZANJOH-UHFFFAOYSA-N	403.885	3.970	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1ccc(C(=O)N2CCCC2)cc1	765226530	JXUHHRNAQYMZAG-UHFFFAOYSA-N	418.291	3.712	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(-n2cnnn2)c1	766236438	DJFOBRYSIHOJBI-DOTOQJQBSA-N	414.460	3.583	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cn3ccc(-c4ccccc4)n3)cc2F)C[C@@H](C)O1	768517373	QKMKOJKOMUFNDG-HDICACEKSA-N	422.504	3.619	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(NC2CC2)n1	769148147	WGQKXJSSEOLJFR-ZDUSSCGKSA-N	408.474	3.718	10	20	HHCD	
CC(C)C[C@@H]1CCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	769744177	SYRCXJAYNGKNDM-HNNXBMFYSA-N	408.545	3.905	10	20	HHCD	
COc1ccc(N2CCN(Cc3c(C(C)C)nc4sc(C)nn34)CC2)cc1F	770307355	RPFPIEMSSJQHJH-UHFFFAOYSA-N	403.527	3.693	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1O	770506355	QTAGKLAVIWKXDP-UHFFFAOYSA-N	409.442	3.699	10	20	HHCD	
CN1CCN(c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)cc2)CC1	771515261	ZOPZYVPWAFYHJK-XDJHFCHBSA-N	401.601	3.972	10	20	HHCD	
CC[C@@H](NCCCN1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1O	775491968	JRBUYIMYXSSIRB-QGZVFWFLSA-N	424.376	3.742	10	20	HHCD	
COc1cc(O)c(CN[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1OC	776192544	LDURLLWTEZJFAE-OAHLLOKOSA-N	407.470	3.908	10	20	HHCD	
O=C(NCc1ccc(O)c(O)c1)c1csc(-c2ccc(Br)s2)n1	778917752	IGXPTNLEBVNUBO-UHFFFAOYSA-N	411.302	3.975	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCOC[C@H]2c2noc(-c3ccccc3)n2)c1O	779614880	DFROJUFRDYGFMI-INIZCTEOSA-N	416.821	3.577	10	20	HHCD	
Cc1cccnc1C(F)(F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	783853968	UTPZSRBIWPOVEN-CQSZACIVSA-N	411.399	3.868	10	20	HHCD	
COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1NC(C)=O	784059966	UBJVGFRDLIDMTE-UHFFFAOYSA-N	424.501	3.540	10	20	HHCD	
CN(C)CCc1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784061214	NQZSSYNZYZFMGC-UHFFFAOYSA-N	408.546	3.677	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)cc1	785548880	ZKQJQHVBFMCMIG-JOCHJYFZSA-N	411.546	3.671	10	20	HHCD	
COc1cc(Br)cc(CN[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1O	785589941	BPRKLBQYNBPYMP-NSHDSACASA-N	418.295	3.503	10	20	HHCD	
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cc1	786941201	UXWFJGZGUSLGBA-RBUKOAKNSA-N	409.530	3.586	10	20	HHCD	
O=C(OC[C@H]1CC2(CCC2)C(=O)O1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	791266294	NSPJGKFIVQMNKI-GFCCVEGCSA-N	424.836	3.758	10	20	HHCD	
CC(=O)N1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	792864861	NUSQHESQRPJHNG-FQEVSTJZSA-N	400.567	3.513	10	20	HHCD	
COCCn1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1	800001745	MEZWWCYZTMEECA-OAHLLOKOSA-N	405.930	3.741	10	20	HHCD	
CCOc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c1	800044252	BTUALUSFLLJBSJ-UHFFFAOYSA-N	417.512	3.968	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@H]3CCC[C@H](c4cccnc4)C3)CC2)cc1	800218275	NQPNNLVNQZUNTF-GMAHTHKFSA-N	408.590	3.918	10	20	HHCD	
CN(C)c1ccc([C@H](CN[C@@H]2CCC23CCOCC3)NC(=O)OC(C)(C)C)cc1	800487557	HJWZHQMDZLKGTP-VQTJNVASSA-N	403.567	3.867	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H](c1ccccc1)N1CCC(O)CC1	807841057	QMSGWJRCDQVNTE-GOSISDBHSA-N	409.313	3.513	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3	808013246	SNYVVHKNUNAMIE-UHFFFAOYSA-N	412.536	3.885	10	20	HHCD	
Cc1ccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	808297868	CQVQIUZPXLYJFC-QGZVFWFLSA-N	410.486	3.685	10	20	HHCD	
Cc1ccc2sc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2c1	810182807	HTLXEYACGVTDNG-QGZVFWFLSA-N	407.539	3.841	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC(F)(F)[C@H](CO)C1	813017356	KEGGOUYHNLNYHA-AWEZNQCLSA-N	402.401	3.517	10	20	HHCD	
COC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	820262126	ULBIYCZQHBUVRB-FQEVSTJZSA-N	411.889	3.657	10	20	HHCD	
COCCn1c(C)cc(C(=O)COC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C	914904869	DVOMIFRFRLGEBZ-UHFFFAOYSA-N	409.486	3.594	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1	918229080	WMPHNHMTVBRUBR-UHFFFAOYSA-N	408.546	3.637	10	20	HHCD	
C[C@@H](NC(=O)NCCNC(=O)c1ccccc1C(F)(F)F)c1ccc(N(C)C)cc1	1320506113	HALNFHQVLDUSMO-CQSZACIVSA-N	422.451	3.562	10	20	HHCD	
CN1/C(=C/C=C2\SC(=S)N(CCCC(=O)O)C2=O)C(C)(C)c2ccccc21	97990680	WJCKMMKGWDUHOL-MBKDJOQRSA-N	402.541	3.907	10	20	HHCD	
CCCN(CC(=O)Nc1ccccc1I)Cc1ccccc1O	110082499	KSDPBCFKIKLMPS-UHFFFAOYSA-N	424.282	3.848	10	20	HHCD	
Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc3c(c2)CCCN3C)cc1C	116153868	UAFVWYHMQKMSDW-UHFFFAOYSA-N	421.570	3.675	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3cccnc3SCc3cc(C)on3)CC2)cc1	247855624	XOKOENIWEJUEFZ-UHFFFAOYSA-N	424.526	3.641	10	20	HHCD	
Cc1c(CNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n(C)c2ccccc12	472226886	XHGQADNEYXIPJP-UHFFFAOYSA-N	424.932	3.808	10	20	HHCD	
COCCCC[C@H](NC(=O)C(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1	570542023	IKZOGKBEYQAMMH-NRFANRHFSA-N	421.541	3.777	10	20	HHCD	
Cc1cc(C(=O)NCC(=O)OCC2CC2)c(C)n1-c1ccccc1Br	726167479	AQTKTUPJSBCESA-UHFFFAOYSA-N	405.292	3.540	10	20	HHCD	
Cc1ccc(-c2nc(CCNC(=O)NCc3ccc(N4CCOCC4)cc3)co2)cc1	726707529	DFQFYTMUBGYAFM-UHFFFAOYSA-N	420.513	3.529	10	20	HHCD	
Cc1noc(C)c1/C=C1\SC(=S)N(CCc2ccc3c(c2)OCCO3)C1=O	726802238	XUJSBFTUPLZRIN-YVLHZVERSA-N	402.497	3.507	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2cc(F)ccc2F)nc1-c1ccccc1	727250457	KTYJXXCQVNCXDL-UHFFFAOYSA-N	424.450	3.605	10	20	HHCD	
C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc2c(c1)CC(=O)N2C	728401787	VOHPBFWPRFGPTR-INIZCTEOSA-N	419.481	3.977	10	20	HHCD	
C[C@H](OC[C@H]1CCCCO1)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728837395	RRXQVYJCZSYGFQ-MAUKXSAKSA-N	402.457	3.618	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NC3(c4ccccc4F)CC3)cc2F)CC1	737049506	MYDKDDQNAIFNII-UHFFFAOYSA-N	414.500	3.595	10	20	HHCD	
CCN(CC)c1ccc(CN(C)[C@H](C(N)=O)c2ccc(Br)cc2)cc1	738300326	VXWZWVCPXIIUOI-IBGZPJMESA-N	404.352	3.954	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCCN1Cc1ccccc1	741145524	FLIWCEOFJFCHPA-QHCPKHFHSA-N	409.599	3.911	10	20	HHCD	
O=C(NCCc1cccc(F)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743518798	UNIPUCWQGOXDIK-QGZVFWFLSA-N	407.436	3.938	10	20	HHCD	
COc1ccccc1-c1noc([C@@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)n1	743705346	RRQSMWUDQSMIPD-CQSZACIVSA-N	422.485	3.890	10	20	HHCD	
O=S(=O)(NCc1ccccc1O)c1cc(Br)cc(C(F)(F)F)c1	751149328	RNNGNLYVLJRGCP-UHFFFAOYSA-N	410.211	3.652	10	20	HHCD	
CCN(CCC(=O)Nc1cc(N)ccc1F)Cc1cc(Br)ccc1O	751475508	LOFWLVGEIPCMPC-UHFFFAOYSA-N	410.287	3.727	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)c3ccccc3N3CCOCC3)ccc21	754538788	XNSQXVMDQGWFQY-UHFFFAOYSA-N	412.445	3.551	10	20	HHCD	
CCOCCOc1cc(C)ccc1CNC(=O)NCc1ccc(N(C)C)c(F)c1	755237410	LTKSMUAONIXZFU-UHFFFAOYSA-N	403.498	3.615	10	20	HHCD	
C[C@H](N[C@@H]1CCN(c2ccccc2Br)C1)c1cc([N+](=O)[O-])ccc1O	756570801	XWZJUYDQCFRFHX-QWHCGFSZSA-N	406.280	3.992	10	20	HHCD	
C[C@H](NCCCNC(=O)c1cccc(F)c1)c1cc(Br)cc(F)c1O	756707587	KBQDZMAGKCFDOA-NSHDSACASA-N	413.262	3.904	10	20	HHCD	
CCOc1nc(C(F)(F)F)ccc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1	758117279	BNIUPSZVRXBBLH-UHFFFAOYSA-N	423.435	3.860	10	20	HHCD	
COC(=O)c1cccc(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1	759863173	XRRSNLOPEZVLHW-UHFFFAOYSA-N	408.420	3.673	10	20	HHCD	
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1cc(Cl)cc(OC)c1O	761201885	HTRLRNWGPJIDSW-QGZVFWFLSA-N	404.894	3.974	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(OC)cc1	764895852	WSSVGVKJGCNNEK-UPVQGACJSA-N	423.557	3.719	10	20	HHCD	
CC(C)n1cc2c(n1)[C@H](NC(=O)N[C@@H](C)c1ccc(N3CCOCC3)cc1)CCC2	765242259	PPRBLPXZLYQOLB-LAUBAEHRSA-N	411.550	3.738	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3ncccc3C(F)(F)F)SC2=S)cc1	765511258	MRKDCIHJFZTBGL-JYRVWZFOSA-N	409.414	3.605	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cnc(Cl)cc3C)cc2F)CC1	766258583	LGVKSSOBLZAIGI-UHFFFAOYSA-N	405.905	3.646	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)c1c[nH]nc1-c1c(F)cccc1F	767885010	ONLNBUKZGIUUBK-UHFFFAOYSA-N	414.481	3.838	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3c(F)cccc3Br)c2)CC1	770149467	WUUNOYOLCVTZSF-UHFFFAOYSA-N	406.299	3.982	10	20	HHCD	
COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1cc(Cl)cc(Cl)c1O	770542211	LHKFUDGJEIVHOQ-UHFFFAOYSA-N	424.328	3.707	10	20	HHCD	
Cc1c(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1	772439891	GOURDJBNSZRMFM-QGZVFWFLSA-N	405.502	3.900	10	20	HHCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C(=O)OC(C)(C)C	772489817	NIAUARJYLPOXSN-LPHOPBHVSA-N	416.566	3.656	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(CCN2CCCCC2)cc1)c1ccc(N(C)C)cc1	773848208	UZCRFBPQZJCZPO-IBGZPJMESA-N	422.573	3.597	10	20	HHCD	
Cc1nn(C)cc1CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C	773884596	JAGHLCKFIDQYDF-UHFFFAOYSA-N	401.308	3.829	10	20	HHCD	
COc1cccc(CNc2ncc(Cl)c(NCc3cccc(OC)c3O)n2)c1O	774523662	HLWWEAVWGCTOMD-UHFFFAOYSA-N	416.865	3.783	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCc2ccc(Cl)cc2)cc1	774655296	UDEDROVIYSKZPT-UHFFFAOYSA-N	401.938	3.504	10	20	HHCD	
COc1cc(O)c(CN[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1OC	776167711	NNIPCWKKSSMQGG-OAHLLOKOSA-N	407.308	3.540	10	20	HHCD	
C[C@@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(N2CCOCC2)c(F)c1	777616761	BHULBHCMTRBKOS-OAHLLOKOSA-N	408.481	3.824	10	20	HHCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccccc1C(F)(F)F	777825975	CULJIZSVJGPYEM-UHFFFAOYSA-N	415.795	3.809	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](c3ccccc3)c3ccccn3)cc2)C1	779020343	RAKWUXBLXUNBKD-URXFXBBRSA-N	400.526	3.663	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OCC2CC2)cc1	783316532	OVWZNKLFVACYKL-UHFFFAOYSA-N	409.530	3.917	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccc(C2CCC2)cc1)c1ccc(N2CCOCC2)cc1	787474682	XNAMUNHPXWFGJZ-KRWDZBQOSA-N	407.514	3.607	10	20	HHCD	
C[C@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1O	788780140	BCBLHHQINJZLIJ-LBPRGKRZSA-N	408.486	3.654	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCCc2ccccc2C(F)(F)F)cc1	788953261	AGWQNWJAYXONJN-UHFFFAOYSA-N	421.463	3.527	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1	789835385	FZNPMCXKNQVNRY-HZPDHXFCSA-N	411.502	3.865	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(Cc1c(F)cccc1F)C1CC1	790218712	CMLNKDYUPWYAKR-UHFFFAOYSA-N	419.447	3.815	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCNCc2c(O)ccc(Cl)c2F)s1	790959572	IKGJLCZYGCPYLQ-UHFFFAOYSA-N	420.959	3.609	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)O)c(F)c(Cl)c1F	792703305	SZUNKCZJBKXCRW-UHFFFAOYSA-N	409.819	3.545	10	20	HHCD	
C[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)C[C@H](C2CC2)O1	793213500	DMSHSWRELOIWOI-YMTOWFKASA-N	405.130	3.917	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H]3c3nc(C)no3)c2C)cc1	796697256	WUEUYAJAHRDVSP-FQEVSTJZSA-N	422.485	3.592	10	20	HHCD	
Cc1ccc(N2CCOCC2)cc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	797689933	IMEUIAMWBYQROB-LJQANCHMSA-N	424.545	3.551	10	20	HHCD	
COC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)s2)SC1=S	799201325	XCVANVDIWFQPPV-CLFYSBASSA-N	406.348	3.665	10	20	HHCD	
COC(=O)[C@]1(C)CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	800719778	NORMADFDKCFXDY-YCRPNKLZSA-N	407.942	3.671	10	20	HHCD	
CCN(CC)c1ccc(CN(C)c2nnc([C@@H]3COc4ccccc4O3)n2C)cc1	800730666	RQHDYCCAMDUOPW-NRFANRHFSA-N	407.518	3.810	10	20	HHCD	
COc1ccc(N2CCN(CCCN[C@@H]3CCc4nc(Cl)ccc43)CC2)cc1	806127524	FUWWZICOYYWOPS-HXUWFJFHSA-N	400.954	3.533	10	20	HHCD	
CC[C@H](NCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1O	806134955	DXJZSGBWPDBYCN-FQEVSTJZSA-N	401.938	3.825	10	20	HHCD	
COC(=O)c1n[nH]c2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cc12	806270790	FDJVVCIQRADFPV-UHFFFAOYSA-N	409.229	3.684	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)cc1F	806685675	WUXGQJPJPDETHX-UHFFFAOYSA-N	408.355	3.891	10	20	HHCD	
Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)n2)s1	806879244	XVFKNYZMWDFEOE-UHFFFAOYSA-N	418.519	3.640	10	20	HHCD	
CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1	807385542	MPCOZMCVGNFUSE-GFCCVEGCSA-N	421.291	3.587	10	20	HHCD	
O=C(NC[C@H]1COc2ccccc21)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	808370260	OKHCVMYQVKCQTE-JKSUJKDBSA-N	417.456	3.732	10	20	HHCD	
C[C@H](NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1)c1ccc(N2CCOCC2)cc1	810208885	ZLHWWDXXRMZXJO-INIZCTEOSA-N	412.917	3.655	10	20	HHCD	
COc1ccc(C[C@@](C)(O)CN[C@@H](C)c2cc(Br)ccc2O)cc1OC	810256163	WLHNHPWAOGCAAM-RNODOKPDSA-N	424.335	3.816	10	20	HHCD	
COc1ccccc1Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1	812443974	UHCWMXIYRLYZRA-FQEVSTJZSA-N	422.529	3.789	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(CN3CCCC3)on2)cc1	812461538	ZFZDFJDLEXLYHT-UHFFFAOYSA-N	408.502	3.772	10	20	HHCD	
C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1	812716921	FBAUNKWFVQGKQF-PXNSSMCTSA-N	421.557	3.788	10	20	HHCD	
CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	857464903	VLCYUXBAKWGYDM-GOSISDBHSA-N	406.885	3.994	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1[N+](=O)[O-]	917709117	DQMOWHYMEUIUBR-GJZGRUSLSA-N	401.438	3.586	10	20	HHCD	
Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	917918635	RFBNLNQOOUZPTJ-CALCHBBNSA-N	406.523	3.535	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c(F)cccc1F	918102239	RRZTVXRESNKLGR-CYBMUJFWSA-N	407.436	3.625	10	20	HHCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](O)c1c(F)cccc1Cl	1318980663	XHWXQPLPORQYTG-QKKBWIMNSA-N	409.908	3.582	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3nc4c(s3)C[C@H](C)CC4)CC2)cc1	1319827517	SNIMJFQJFMRUFI-GOSISDBHSA-N	414.619	3.578	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCc4cnn(C(C)C)c43)CC2)cc1	1321191992	FTLHHYFMYCLXEO-OAQYLSRUSA-N	411.550	3.818	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2c(cc1Cl)NC(=O)C2	1322709934	QBAFZXMOKXBXJF-UHFFFAOYSA-N	423.694	3.965	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)noc3C)c2C)cc1	6545737	ILENAFHKKCWYPA-UHFFFAOYSA-N	410.426	3.525	10	20	HHCD	
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)cc1	8170770	MYDWAXJUEZDPPV-UHFFFAOYSA-N	423.538	3.792	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl	47345184	VRBAWLINIKRFCO-UHFFFAOYSA-N	418.881	3.779	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2ccc(F)cc2I)cc1F	116151138	POBQXTPOOCRJFV-UHFFFAOYSA-N	416.209	3.565	10	20	HHCD	
COc1ccc(OC)c2c1CN(C(=O)c1cc(C)n(-c3ccc(F)cc3)c1C)C[C@@H]2O	302993552	WTGJOCDDIRUVNE-FQEVSTJZSA-N	424.472	3.940	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)cc1F	303619203	CVVRKKHOHVTQDH-JOCHJYFZSA-N	417.525	3.992	10	20	HHCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2	437021129	RHUAIWTTYDOSDI-UHFFFAOYSA-N	406.461	3.605	10	20	HHCD	
Cc1c(CNC(=O)C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)n(C)c2ccccc12	502992192	OZJTWDANILGXDP-CTNGQTDRSA-N	403.526	3.631	10	20	HHCD	
Oc1ccc(Br)cc1CNC[C@H](O)c1ccc(OC(F)(F)F)cc1	725850238	UBJBFFBZSPTUBQ-HNNXBMFYSA-N	406.198	3.877	10	20	HHCD	
COC(=O)Cc1sc(NS(=O)(=O)c2ccc(C)s2)nc1-c1ccccc1	727251180	SZRHTTDFTDLYKG-UHFFFAOYSA-N	408.526	3.696	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(-c3csc(C)n3)c2)c1	729062754	DJZQPFUWQCGLEV-LBPRGKRZSA-N	411.483	3.649	10	20	HHCD	
CC(C)[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCCC1	729359492	GSFDQBWMCNZNEI-FQEVSTJZSA-N	409.521	3.884	10	20	HHCD	
CCOc1ccc(OC)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1	729576095	RLUYJDSDVNDRKE-UHFFFAOYSA-N	401.532	3.969	10	20	HHCD	
Cc1cn(-c2ccccc2)nc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	730123553	MABRUDBUTUFOLB-SFHVURJKSA-N	405.502	3.900	10	20	HHCD	
COC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c(OC(F)F)c1	732438836	UTBNPYNNGYTCJL-SNVBAGLBSA-N	410.373	3.672	10	20	HHCD	
Cc1sc(=O)n(CC(=O)NCCCSc2nccs2)c1-c1ccc(F)cc1	733972600	JAJTVHPVPVHTHV-UHFFFAOYSA-N	423.560	3.779	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)c1	734061948	XISHYTSUUQJRRY-UHFFFAOYSA-N	421.453	3.983	10	20	HHCD	
CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	734066282	QWZWCJFIYLHYRR-NFBKMPQASA-N	420.557	3.607	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	734665770	ROROBCKGIDRAIG-MJGOQNOKSA-N	418.582	3.896	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccccc4Cl)c3)CC2)cc1	741401549	NGDLEJNRDPKHAW-UHFFFAOYSA-N	411.893	3.888	10	20	HHCD	
COC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	742802217	WPDFFQQJOZIPJX-GFCCVEGCSA-N	410.442	3.535	10	20	HHCD	
CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1	743178877	SXMMIIDGJFAWIE-UHFFFAOYSA-N	417.531	3.744	10	20	HHCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C12CCCC2	743554621	JIIDEJMBVDQEKX-VQTJNVASSA-N	403.592	3.777	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCc3cccc4cccnc34)cc2F)C[C@@H](C)O1	745183651	XWGLPPHEVFUPLS-CALCHBBNSA-N	422.504	3.987	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(c2ccc(F)cc2)CCC1	746011326	SUSBGCVMRCGOOR-UHFFFAOYSA-N	400.469	3.664	10	20	HHCD	
COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1	747856978	KHQOYOZJEUQREQ-QGZVFWFLSA-N	411.546	3.713	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3cccnc3N3CCOCC3)c2C)c1	749342901	VAJJRPNAEUEDBQ-UHFFFAOYSA-N	418.541	3.873	10	20	HHCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	749670699	NDEXLMLHHQFDQS-LEWJYISDSA-N	400.438	3.815	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](c4ncc[nH]4)C3)c2C)cc1	749844762	MWLQZIMOAKNUMO-LJQANCHMSA-N	420.513	3.666	10	20	HHCD	
COCCCOc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1	749907585	CUNUSQMXEUSWLW-UHFFFAOYSA-N	400.544	3.585	10	20	HHCD	
Cc1cc(F)ccc1-n1cc(O)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1	751339499	GRCUPFZWTUCAGE-UHFFFAOYSA-N	408.477	3.896	10	20	HHCD	
CC(C)Cc1ccc(CCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1	751664283	MWCUMLIPRRYMHN-HSZRJFAPSA-N	421.585	3.836	10	20	HHCD	
COc1ccc([C@@H](C)CCNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1	753917169	AAOUOZYCYIZWJY-KRWDZBQOSA-N	415.509	3.868	10	20	HHCD	
Cc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2C)cc1	754548718	PDCXQGJOBZQXHE-UHFFFAOYSA-N	422.444	3.912	10	20	HHCD	
C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(Br)ccc1O	756357002	BFSIJULGDZJOAI-KXBFYZLASA-N	405.336	3.879	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1cccc(Br)c1)c1cc(F)cc(F)c1O	756529372	ZWTTYACGZCJJCB-LLVKDONJSA-N	413.262	3.904	10	20	HHCD	
C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(Br)cc1O	756602150	CLHZVTKQTQSVRV-KNBMTAEXSA-N	419.363	3.688	10	20	HHCD	
COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756638546	UACBWNOLGGGPGA-GFCCVEGCSA-N	407.854	3.950	10	20	HHCD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	758005102	UXLSBSAYXDOFBC-ZDUSSCGKSA-N	424.467	3.692	10	20	HHCD	
COc1cc(CN2CCC(C)(CN3CCN(C)CC3)CC2)c(O)c(C(C)(C)C)c1	758266242	UIFXAMRDOYWEBS-UHFFFAOYSA-N	403.611	3.548	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C)c3cccc(O)c3)cc2F)C[C@H](C)O1	758395845	CKBJQWPPQCTLLI-HRCADAONSA-N	401.482	3.705	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3ccc(CSC)cc3)CC2)cc(OC)c1OC	759221383	PSTWNWQJYXZTBW-UHFFFAOYSA-N	416.543	3.538	10	20	HHCD	
C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)CN(Cc2ccc(Cl)cc2)C1=O	761161438	JMCATOJEXPSRSM-MRXNPFEDSA-N	413.905	3.702	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1	761968411	UWSTYLYVPDAYLJ-BIBXISHDSA-N	418.902	3.860	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cc(N2CCCC2=O)ccc1Cl	765746989	IULCSSQEIBBAEM-UHFFFAOYSA-N	423.694	3.865	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)c1	767957560	KALLHWRSYDGVKS-SNVBAGLBSA-N	409.364	3.509	10	20	HHCD	
C[C@@H]1C[C@H]1[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1	769914163	PGHCVFXKXZUYBX-MZKGEVEHSA-N	408.907	3.544	10	20	HHCD	
CCSCc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)no1	769933378	KSINHDDPIGZBEA-UHFFFAOYSA-N	411.474	3.928	10	20	HHCD	
C[C@H](NCc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc(N2CCOCC2)cc1	770668639	YLHKKPAYUNFUNI-INIZCTEOSA-N	411.937	3.823	10	20	HHCD	
COc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccc1OC(C)C	772075523	MAYYARYUGWECDD-UHFFFAOYSA-N	404.850	3.810	10	20	HHCD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1cccc(Cl)c1O	775643571	RBNDQVBRINMOBT-KRWDZBQOSA-N	405.878	3.725	10	20	HHCD	
COc1cc(-c2nnc(CN[C@H](C)c3ccc(N(C)C)cc3)o2)cc(OC)c1OC	775829974	BVTFAYUSHCMCGI-CQSZACIVSA-N	412.490	3.679	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCOC[C@@H]2c2noc(-c3ccccc3)n2)c1O	779614881	DFROJUFRDYGFMI-MRXNPFEDSA-N	416.821	3.577	10	20	HHCD	
CC[C@@H]1C[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCO1	780590878	WFCKZVAOGUYGAW-MISYRCLQSA-N	419.566	3.640	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(C4CCCC4)nn3C)cc2)CC1	781972594	QKAOXIRCZUULNQ-UHFFFAOYSA-N	423.561	3.569	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F	785296190	LOOPPLHJUNKVRP-AWEZNQCLSA-N	408.429	3.590	10	20	HHCD	
Cc1ccc(CCCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)c1	785501705	AQBNVISZKDISTD-UHFFFAOYSA-N	407.558	3.609	10	20	HHCD	
C[C@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C(=O)OC(C)(C)C	786165102	KONJMWPQIQJUAQ-OXJNMPFZSA-N	401.551	3.889	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCSc2c(F)cccc21	788458302	CVWIQZPEABKEHU-IBGZPJMESA-N	415.534	3.594	10	20	HHCD	
CCOC(=O)c1csc([C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)c(F)c2)n1	790262357	TWLLLEPITWCGET-KRWDZBQOSA-N	420.510	3.572	10	20	HHCD	
CCOC(=O)c1nn(C)cc1/C=C(\Cl)c1nc2ccc(Br)cc2n1C	792890888	QURRBKWVPVIBJW-GHXNOFRVSA-N	423.698	3.983	10	20	HHCD	
COC(=O)C[C@@H]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]1C	792919503	JYNMLOXNDCXVNC-ZRGWGRIASA-N	414.468	3.609	10	20	HHCD	
Cc1nc2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2n1C	793115121	COKKZSSISFUOOI-HUUCEWRRSA-N	410.493	3.564	10	20	HHCD	
CCc1cc(C)cc(CC)c1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	796686866	JXLYXHHKZCIZIL-UHFFFAOYSA-N	423.557	3.554	10	20	HHCD	
O=C(NCCCSc1nccs1)Nc1cc(F)c(F)cc1N1CCOCC1	806717222	MSBHXAWOSYDRGH-UHFFFAOYSA-N	414.503	3.562	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)CCOCc3ccccc3)CC2)cc1	807606596	FOKMXTFGEVFSBB-HXUWFJFHSA-N	411.546	3.912	10	20	HHCD	
COC[C@H](NC(=O)NCc1cccc(Br)c1O)c1cccc(Cl)c1	808372743	JIMZYNDFPBGRCS-HNNXBMFYSA-N	413.699	3.995	10	20	HHCD	
CN(C)c1ccc(CNCCCn2cc(Br)cn2)c(C(F)(F)F)c1	808436556	IRWYTVHIEOTBIL-UHFFFAOYSA-N	405.262	3.910	10	20	HHCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)c1ccc(F)cc1	808575114	HPAAKJUDRBHAAJ-UHFFFAOYSA-N	421.881	3.861	10	20	HHCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4cc(Br)cc(Br)c4O)[C@H]1[C@H]3C2	809697468	HGDWDNNRUHKVQO-NULNDDTOSA-N	417.141	3.772	10	20	HHCD	
CC(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccccc1O	812217732	ANPQMIWBKIPPIS-UHFFFAOYSA-N	404.474	3.592	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1nc(C2CC2)ncc1Br	813812938	CMUUEHNTLWINBA-UHFFFAOYSA-N	402.292	3.631	10	20	HHCD	
O=C(/C=C/c1ccc(I)o1)NCc1ccc(N2CCCC2)cc1	915198197	DGVCCNNGUZMQPS-CSKARUKUSA-N	422.266	3.814	10	20	HHCD	
Cc1cc(CCNC(=O)CCS(=O)(=O)C2CCCC2)c(C)n1-c1ccccc1	915685560	DGIHMYGYULEGJX-UHFFFAOYSA-N	402.560	3.500	10	20	HHCD	
CCOC(=O)/C=C\c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1	915696667	GDXHTYQWGMEGHB-JYRVWZFOSA-N	423.513	3.763	10	20	HHCD	
O=C(Nc1cccc(N2CCCC2=O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	916673238	KSDLYDSSZRFDAA-HXUWFJFHSA-N	409.486	3.732	10	20	HHCD	
CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=S)Nc1ccc(Cl)cc1	920074483	AHNYTLQOYHCKDY-UHFFFAOYSA-N	412.968	3.730	10	20	HHCD	
Cc1cc(-n2c(C)cc(/C=C3/SC(=S)N(C4CCN(C)CC4)C3=O)c2C)no1	920472680	NWCPMCMPBIRFAX-GZTJUZNOSA-N	416.572	3.686	10	20	HHCD	
CNC(=O)Cc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	1317947827	XJPLQDSPUWUDRR-UHFFFAOYSA-N	420.513	3.868	10	20	HHCD	
Cc1cc(C(=O)NCCc2nccn2C)c(C)n1-c1ccccc1Br	1347513631	AQPWCHZPAKQBCT-UHFFFAOYSA-N	401.308	3.563	10	20	HHCD	
Cc1nn2cccnc2c1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	109131435	TXEHECPOKAZQME-UHFFFAOYSA-N	406.417	3.624	10	20	HHCD	
C[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)COCc1ccccc1	195616106	FFORAUBZHRJWGU-HXUWFJFHSA-N	411.546	3.518	10	20	HHCD	
COc1cc(OC)c(OC)cc1CNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C	303206737	QAKLWXKVQFBKIG-UHFFFAOYSA-N	419.481	3.922	10	20	HHCD	
Cc1c(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)n(C)c2ccccc12	472287653	QXTHVZYJERFTHH-QGZVFWFLSA-N	416.319	3.782	10	20	HHCD	
CCn1cc(-c2nn(C)cc2C(=O)N2CCN(C3CC3)c3ccc(Cl)cc32)cn1	490251654	ODAKIBQNWHQRFP-UHFFFAOYSA-N	410.909	3.586	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccnc3-c3cnn(C)c3)ccc21	526044495	IMHPZUGROPVCAR-UHFFFAOYSA-N	403.486	3.952	10	20	HHCD	
CCS(=O)(=O)Nc1ccc(NC(=O)C2=S=C(c3ccc(F)cc3)C=C2)cc1C	617210216	VGBBPHPUNZQKCO-UHFFFAOYSA-N	418.515	3.530	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(Br)c[nH]1	726565759	SWCNCKRJTXIGFB-UHFFFAOYSA-N	414.250	3.777	10	20	HHCD	
C[C@@H]1c2cccn2CCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726719665	USCMRRVEZFWRRP-OAHLLOKOSA-N	404.461	3.845	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1	728984705	RYWYYUMZMOBVOX-LLVKDONJSA-N	417.512	3.591	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2Cc2ccccc2)c1	729065232	AIAWQKLSCSJGKP-INIZCTEOSA-N	404.466	3.808	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)OCCO4)cc2)CC1	731016839	QDHOHQFQVJGSPG-UHFFFAOYSA-N	422.525	3.973	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCc3ccnc(-n4cccn4)c3)cc2)CC1	731048692	PHQKZXAIZIVXMP-UHFFFAOYSA-N	404.518	3.503	10	20	HHCD	
O=S(=O)(Cc1cccc(F)c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	731673014	GPTXJQRZWRSXEC-UHFFFAOYSA-N	414.449	3.516	10	20	HHCD	
Oc1c(Br)cccc1CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	734843323	JOJGSFRHQATNRD-HOCLYGCPSA-N	404.226	3.779	10	20	HHCD	
CCn1cc(S(=O)(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)cn1	735607600	PCPIEBXOKTUULA-UHFFFAOYSA-N	402.423	3.846	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C2CC2)cc1	739507215	JFJQDKXOUKCKOD-UXHICEINSA-N	401.551	3.937	10	20	HHCD	
CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	741085546	CLEKZWUIOFUIAE-DEOSSOPVSA-N	424.589	3.776	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(-c4cnn(C)c4)c3)cc2F)C[C@@H](C)O1	741541378	MUBIDDKEDWTYJH-IAGOWNOFSA-N	422.504	3.770	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@@]3(C)CCc4ccccc4C3)cc2F)CC1	742645760	ZBBWXNRPTVRGKB-VWLOTQADSA-N	409.549	3.779	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(C(=O)OC)cc1	743099279	SOKWLIOHBHPMMD-UHFFFAOYSA-N	407.264	3.995	10	20	HHCD	
COc1ccccc1O[C@@H](C)CNC(=O)NCc1ccc(N2CCSCC2)cc1	743555492	ZSVDTIUOUKFOQP-KRWDZBQOSA-N	415.559	3.515	10	20	HHCD	
O=C(NCCCOC1CCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743573268	PWQDUPKKVNQKQP-INIZCTEOSA-N	411.493	3.905	10	20	HHCD	
Cc1ccc([C@@H](NC(=O)c2cc(O)cs2)c2cccc(S(C)(=O)=O)c2)c(C)c1	743712566	UPRPKJQMIPARHV-FQEVSTJZSA-N	415.536	3.993	10	20	HHCD	
CNC(=O)CC1CCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1	746670414	RNSBORFWCJVOFY-UHFFFAOYSA-N	419.928	3.917	10	20	HHCD	
CCCn1ccc2cc(NC(=O)C(=O)NCCCSc3nccs3)ccc21	749730440	QBVLDYOOAPRWOA-UHFFFAOYSA-N	402.545	3.745	10	20	HHCD	
Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751930418	FCQFSHNMBXJHGJ-CYBMUJFWSA-N	413.474	3.948	10	20	HHCD	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(O)n1	754515388	DGCNQTNXBGDPMM-UVTDQMKNSA-N	419.553	3.777	10	20	HHCD	
C[C@H](NC[C@@H](O)COc1ccccc1)c1cc(Br)cc(Cl)c1O	756398708	XXCJYGJAEYRHGJ-WCQYABFASA-N	400.700	3.899	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)c1	757730531	UJNROMGNFWPNPT-QFBILLFUSA-N	414.502	3.827	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1Cl	758164853	SOJBBQPSBMVURL-UHFFFAOYSA-N	410.662	3.940	10	20	HHCD	
CC(=O)N1CC[C@H](COC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1	758567837	OYIJFQLFLAYFEZ-INIZCTEOSA-N	419.319	3.882	10	20	HHCD	
O[C@H]1CCC[C@]1(CNCc1ccc(N2CCOCC2)c(F)c1)Cc1ccc(F)cc1	758580179	HSSBCXPXLDXNPO-BJKOFHAPSA-N	416.512	3.665	10	20	HHCD	
COc1ccc(C[C@@H](C)CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1	758965854	SNIGJKKPESNITE-LJQANCHMSA-N	411.546	3.804	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(Br)o3)cc2)CC1	759022847	JHYQAMJTDIDBMA-UHFFFAOYSA-N	413.337	3.757	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCCS(=O)(=O)C(C)C	759060625	YTNOCKYMXCGHGL-UHFFFAOYSA-N	410.561	3.647	10	20	HHCD	
CCN(CC)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1	760945296	WHFBWFTXIUYVKX-IBGZPJMESA-N	415.921	3.893	10	20	HHCD	
CC(C)N(C)Cc1ccccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761004146	LMHFWXFMGKKQNG-UHFFFAOYSA-N	415.921	3.850	10	20	HHCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(Cc3c(Cl)cccc3Cl)no2)c1	761359371	IBGFTTQWFHEJNR-UHFFFAOYSA-N	414.270	3.711	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C(=O)NCc2ccccc2F)cc1	761621339	NHJBMHCWLCWEGX-UHFFFAOYSA-N	423.444	3.531	10	20	HHCD	
COc1ccc(C(C)(C)CNC(=O)NCc2cccc(Br)c2O)cc1	765480580	RIEQDDBTYBTDAI-UHFFFAOYSA-N	407.308	3.940	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1c[nH]nc1-c1c(F)cccc1F	765726055	DYNRNBHPZOUBIX-UHFFFAOYSA-N	408.202	3.753	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]c2c1C(=O)CCC2	768913214	WVDXWANGRMCZFH-MRXNPFEDSA-N	415.921	3.596	10	20	HHCD	
CC[S@@](=O)c1ccccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771069626	ZXBILYMMZJEPSM-YMGMXPECSA-N	420.962	3.568	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNc3cncc(OC4CCCCC4)n3)cc2)C1	771997319	KGKWSAIVUXOQJN-GOSISDBHSA-N	409.534	3.502	10	20	HHCD	
C[C@@H](NC(=O)NCc1cc2c(cc1OC(F)F)OCO2)c1ccc(N(C)C)cc1	773377005	RZDHUFGQXALDRR-GFCCVEGCSA-N	407.417	3.643	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](c3ccccc3Br)C2)c1O	774865911	ZNNGQPHVBIQEGV-INIZCTEOSA-N	423.263	3.645	10	20	HHCD	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)Cc2ccc(F)c(Cl)c2)cc1	775058764	AQAAMQBEUBSCBT-UHFFFAOYSA-N	422.913	3.732	10	20	HHCD	
C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)c1ccc(N(C)C)cc1	775403464	JDWJMOHUMFTBAL-QGZVFWFLSA-N	423.557	3.992	10	20	HHCD	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	778926933	HKTUGQZQGBYZBL-AUUYWEPGSA-N	400.475	3.616	10	20	HHCD	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1	779022943	MDFYVFHEMCPWPE-PGRDOPGGSA-N	417.594	3.630	10	20	HHCD	
Fc1cc(CN2CCc3c(ncn3CCc3ccccc3)C2)ccc1N1CCOCC1	780905033	WGONFNXAKIYTMS-UHFFFAOYSA-N	420.532	3.660	10	20	HHCD	
CC(C)n1ncc2c(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc(-c3ccco3)nc21	782622883	ZFACTYZSZFIQNP-UHFFFAOYSA-N	421.409	3.723	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CCCc3occc32)cc1	788629350	ANHWBPBMKVOTMY-OAQYLSRUSA-N	421.497	3.661	10	20	HHCD	
Cc1cc(C(=O)CN2CCn3cnnc3[C@@H]2C)c(C)n1-c1ccc(F)c(Cl)c1	792379454	HNIVKJRGYSRQHL-AWEZNQCLSA-N	401.873	3.738	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@H](c2cccc(F)c2)C1	798093956	ZSHZXQZTGBRRDV-AQYVVDRMSA-N	411.521	3.780	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1	798248920	RHBKPNFUJLZPOZ-UHFFFAOYSA-N	413.474	3.905	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)NC3CC(C)(C)CC(C)(C)C3)CC2)cc1	804318013	WACUMDCIILZJRB-UHFFFAOYSA-N	415.578	3.501	10	20	HHCD	
NC(=O)CCSc1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806255894	HOGVIELRGUYSDJ-UHFFFAOYSA-N	414.314	3.988	10	20	HHCD	
Cc1c(CS(C)(=O)=O)cccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	806273964	BBEYJAQBHPEMIM-UHFFFAOYSA-N	417.314	3.874	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1cccc(F)c1)C1CCCC1	807100587	KPZAZJMAYUXTDE-UHFFFAOYSA-N	411.521	3.788	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)c(C)n1-c1ccc(Cl)cc1	807995563	HMBJYVAHFDNGPE-AWEZNQCLSA-N	400.866	3.856	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ocnc3C3CC3)c2C)cc1	808681056	VLLRAFRCJPKPAA-UHFFFAOYSA-N	422.437	3.786	10	20	HHCD	
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc(Cl)cc(Cl)c1O	813682746	INAGUBVPOVKVTN-SECBINFHSA-N	401.677	3.787	10	20	HHCD	
CNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	915759414	AZPPAFHKRBIFOC-UHFFFAOYSA-N	415.453	3.717	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	916505729	AWCQKOMJNBNSBW-RZUBCFFCSA-N	417.594	3.841	10	20	HHCD	
CN(C)CCOc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1	916624602	KKFUDUMUNLJVBW-UHFFFAOYSA-N	414.575	3.502	10	20	HHCD	
Cc1nc(N(C)Cc2ccc(N3CCOCC3)cc2)c2cnn(-c3ccccc3)c2n1	917019596	OSFCZRZJUJKBAE-UHFFFAOYSA-N	414.513	3.597	10	20	HHCD	
CCc1ccc(OCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1	917713627	SVVFOCGAOCQYBS-CALCHBBNSA-N	400.494	3.697	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCCCN2CCc3ccccc3C2)C2CC2)cc1	918064690	HQWVTGXVPDDDGU-UHFFFAOYSA-N	406.574	3.875	10	20	HHCD	
O=C(NCCC(=O)N1CCCCC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	918419532	IHQXTXKHHVNFME-UHFFFAOYSA-N	407.474	3.559	10	20	HHCD	
CCCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)c1	918454836	DUCCLIGAKPWGLE-UHFFFAOYSA-N	409.530	3.980	10	20	HHCD	
Cc1ncc(-c2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2)o1	918457450	SYSCMXDJAWMIDF-UHFFFAOYSA-N	418.497	3.846	10	20	HHCD	
O=C(NCCNCc1cc(Br)ccc1O)c1ccccc1C(F)(F)F	1341792597	FFDKVWLWRHCEAJ-UHFFFAOYSA-N	417.225	3.693	10	20	HHCD	
Cc1cnoc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2	1844619086	XBTFNCUUOHZUIG-UHFFFAOYSA-N	418.497	3.521	10	20	HHCD	
CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1ncc(-c2ccccc2)n1C	7210647	UNKZTSWZGZBHAB-GOSISDBHSA-N	423.538	3.868	10	20	HHCD	
Cc1cc(CSc2ncccc2C(=O)NCc2ccc(N(C)C)c(F)c2)no1	60214244	CIQPHWUCPJZQBE-UHFFFAOYSA-N	400.479	3.805	10	20	HHCD	
Cc1cc(C(=O)NCc2ccc(O)nc2)c(C)n1-c1ccc(Br)cc1	303736692	XJPRINIHEFGLAI-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)ccc21	438438773	XUINEAWWCVBTLW-UHFFFAOYSA-N	411.477	3.998	10	20	HHCD	
Cc1c(CNC(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)n(C)c2ccccc12	472222059	HMVSTWVNNMTKBP-UHFFFAOYSA-N	400.486	3.512	10	20	HHCD	
Cc1nc(O)cc(-c2ccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)cc2)n1	541076290	AZXXHBNBUYDBBA-UHFFFAOYSA-N	405.458	3.655	10	20	HHCD	
Cc1c(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)cccc1[N+](=O)[O-]	545779809	OCUFDUCTNOVIRA-UHFFFAOYSA-N	420.450	3.760	10	20	HHCD	
C[S@@](=O)Cc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1	726566065	XUHXGFSQZPPOTJ-GDLZYMKVSA-N	422.497	3.565	10	20	HHCD	
C[C@@H](OCc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726566995	JVEJCXYKFYLAQF-MRXNPFEDSA-N	404.457	3.978	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)N(Cc3cccnc3)C3CC3)cc2F)C[C@@H](C)O1	728745494	ASPYCNJPJAMHRV-CALCHBBNSA-N	412.509	3.709	10	20	HHCD	
Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)nnn1-c1ccc(OC(C)C)cc1	731325602	VQNNPQLXSKRJMP-UHFFFAOYSA-N	419.529	3.675	10	20	HHCD	
O=C(CC[C@H]1CCCCO1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	731974648	BXKDVEYBAGGNFA-QGZVFWFLSA-N	400.441	3.508	10	20	HHCD	
COc1ccc(CCNC(=O)NCc2ccc(N(C)C)cc2C)cc1OC(F)F	734526519	WXZUYPJZLINPHS-UHFFFAOYSA-N	407.461	3.713	10	20	HHCD	
COC(=O)[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)C1CC1	736257262	JSBAABLRJAQSSL-FQEVSTJZSA-N	419.319	3.928	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1	737215825	CHDKNVJLVPNYJM-UHFFFAOYSA-N	414.937	3.570	10	20	HHCD	
COC[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(C)C	741611013	ICHAFHWMYLHEOR-MFYHJKBNSA-N	412.602	3.517	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C	743665556	KMPLOYHYSKZOSN-QUCCMNQESA-N	418.582	3.978	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)Oc2cccc(Br)c2)c1	743699584	ISSVDNXSXKSRER-CHWSQXEVSA-N	423.307	3.991	10	20	HHCD	
COc1cccc(CNC(=O)NCc2ccccc2CN(C)Cc2ccco2)c1O	745842366	JOTQGWYXXGBNQH-UHFFFAOYSA-N	409.486	3.625	10	20	HHCD	
COc1cccc(O[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	745880764	ALDZDOZKXBQYFY-UTKZUKDTSA-N	414.502	3.559	10	20	HHCD	
CN(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1C=O	746449132	NNKPTAMNXZLHGU-UHFFFAOYSA-N	419.447	3.871	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)CCCc3sccc3C)CC2)cc1	747743714	GDGZIKRYZTVBMA-UHFFFAOYSA-N	415.603	3.716	10	20	HHCD	
Cc1nn(-c2ccc(C(=O)NCc3ccccc3O)cc2)c(C)c1Br	748346055	LDKRJDCETAIPHH-UHFFFAOYSA-N	400.276	3.887	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)C[C@H](O)c3cccs3)CC2)cc1	752663202	GWBNCDCHNZLVGE-BEFAXECRSA-N	403.548	3.537	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C	753139361	NTXNBXDFMNNYDS-UHFFFAOYSA-N	401.419	3.840	10	20	HHCD	
C[C@@]1(NCc2cc(Br)cc(Br)c2O)CCO[C@H]1C1CC1	753596087	SZZYDCNJWUVQOJ-LSDHHAIUSA-N	405.130	3.964	10	20	HHCD	
CC(C)CCn1ncc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C(C)C	753841918	QDOBHYDIBYBWQV-QGZVFWFLSA-N	413.566	3.935	10	20	HHCD	
COc1cc(CN2CC[C@H](N[C@H]3C[C@H](C)c4c(F)ccc(O)c43)C2)cc(OC)c1	756648708	XZSKBLZJHQZTNF-UVFQYZLESA-N	400.494	3.961	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCCc2nc(-c3cccc(Cl)c3)no2)c1	756708454	CZBKUSSFMMKHLV-LBPRGKRZSA-N	401.850	3.776	10	20	HHCD	
Cc1nc(COc2cccc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2)no1	758787895	SKOHZQIYKYNAOM-UHFFFAOYSA-N	406.486	3.877	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(c2ccccc2)CCOCC1	761090003	HNDGWMWDYAMLFR-UHFFFAOYSA-N	414.889	3.558	10	20	HHCD	
Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	766248430	KPBBZOCSIKXURN-UHFFFAOYSA-N	422.573	3.861	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)NCCc3ccc(OCC(=O)O)cc3)c2C)cc1	767211567	NXUJKEYBSNEQLR-UHFFFAOYSA-N	422.481	3.539	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)CSc1nc2ccccc2nc1N1CCCC1	767880488	FJYCLPCUEXAHEN-UHFFFAOYSA-N	408.527	3.686	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)c1	768911058	NXJVRFGWUVSRFV-SNVBAGLBSA-N	424.354	3.630	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(N2CCOCC2)cc1	770007569	QMOUFKKQIDHIMA-CYBMUJFWSA-N	404.854	3.968	10	20	HHCD	
CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1	770230908	QPFBRNMHIIAGDU-JOCHJYFZSA-N	411.546	3.647	10	20	HHCD	
C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(N(C)C)cc1	773015567	OWJXITBTQMIXMN-OAHLLOKOSA-N	415.484	3.760	10	20	HHCD	
C[C@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(N2CCOCC2)c(F)c1	773120275	MNMSKJFTSKIGJT-JXFKEZNVSA-N	415.484	3.648	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)Oc2ccc(Br)cc2)c1O	775030186	REXVRCMNOVNFHX-LLVKDONJSA-N	411.252	3.629	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CNC(C)(C)COc2ncc(Cl)cc2Cl)c1O	775031111	CARGKJWDXPSEQK-UHFFFAOYSA-N	416.261	3.958	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1	775174842	UQWYCHOBFSXYIX-OBNPVOHOSA-N	422.250	3.613	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)cc1	775193709	AGIXPBZVLCAVQX-QHCPKHFHSA-N	423.557	3.684	10	20	HHCD	
C[C@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)c1ccc(N(C)C)cc1	775403497	JTHZOLRIPVFORK-AWEZNQCLSA-N	424.526	3.587	10	20	HHCD	
CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)cc(F)c1O	775706911	QYFOFFCJZKLZNF-UHFFFAOYSA-N	404.791	3.952	10	20	HHCD	
COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1cc(OC)c(OC)cc1O	775746930	IEVGTSPVZKMSLV-SFHVURJKSA-N	424.291	3.518	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1	780156391	NXNWLSPKJJRMIN-UHFFFAOYSA-N	413.477	3.652	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(Cc4cccc(F)c4)CCC3)cc2)CC1	786660340	DFRACJRWIXUMKF-UHFFFAOYSA-N	423.532	3.523	10	20	HHCD	
CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1	795344962	MMIPJEOENDZVRD-UHFFFAOYSA-N	420.270	3.685	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3cc(C(=O)OC)cs3)cc2F)CC1	796756069	QUFQXDPBZUYKQZ-OAHLLOKOSA-N	405.539	3.667	10	20	HHCD	
CC(=O)N1CCC[C@@H](CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1	799984437	YXCMVYGSTDJMFD-LPHOPBHVSA-N	420.985	3.634	10	20	HHCD	
Cc1cnc(COCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)o1	803899742	GXLZJWKATHZORI-UHFFFAOYSA-N	422.481	3.822	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2)CC1	805025403	OQMHXYLPJMOFKZ-UHFFFAOYSA-N	423.532	3.869	10	20	HHCD	
C[C@@H](NCCCn1cc(Br)cn1)c1ccc(Br)cc1O	806658619	VPAMIGMGNUANOQ-SNVBAGLBSA-N	403.118	3.855	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1ncc(C)s1)C1CC1	807628940	GMRZACDBOMOXEA-GOSISDBHSA-N	401.532	3.553	10	20	HHCD	
O=S(=O)(NC[C@@H]1CCCN(Cc2cc3oc4ccccc4c3cc2O)C1)C1CC1	808226525	NSIUEHKQJWIPIX-HNNXBMFYSA-N	414.527	3.585	10	20	HHCD	
Cc1cc(O)nc2cc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)ccc12	808281244	BILGYOGANQUXFJ-HZPDHXFCSA-N	423.488	3.932	10	20	HHCD	
Oc1c(Br)cc(Br)cc1CNCc1nccc(C(F)F)n1	809783060	QASBKKAPRVCSRZ-UHFFFAOYSA-N	423.055	3.935	10	20	HHCD	
C[C@H](NC(=O)N[C@@H](C)[C@@H]1OCCc2sccc21)c1ccc(N2CCOCC2)cc1	813606559	TVTBVMPENUPWMW-QYWGDWMGSA-N	415.559	3.647	10	20	HHCD	
Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	915784720	CKCRNTHYVUHURQ-UHFFFAOYSA-N	404.474	3.750	10	20	HHCD	
O=C(CCCc1nc(O)c2ccccc2n1)NCc1ccc(N2CCSCC2)cc1	917386606	GJXOXNOKUIVZKK-UHFFFAOYSA-N	422.554	3.528	10	20	HHCD	
CSc1nc(C(C)C)nc(C)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	917708656	MFNNNTLWXSYMCV-UHFFFAOYSA-N	418.538	3.536	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C)Oc3ccccc3F)cc2F)C[C@@H](C)O1	917715429	QQYZNTALDRMSCZ-BZUAXINKSA-N	404.457	3.662	10	20	HHCD	
C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(Cl)s3)cc2F)C[C@H](C)O1	917917347	FYBZWEFQHDFZQJ-RYUDHWBXSA-N	418.943	3.633	10	20	HHCD	
Cc1cc(C(=O)NCCCn2cccn2)c(C)n1-c1cccc(Br)c1	918068436	OVOGLSFWKDYRFG-UHFFFAOYSA-N	401.308	3.873	10	20	HHCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2c(C(C)C)noc2n1	920882506	RELQJFZAMAYSIJ-MRXNPFEDSA-N	408.502	3.982	10	20	HHCD	
COc1ccc2ccc(O)c(CN3CCN(C(=O)N(C)Cc4ccccc4)CC3)c2c1	921050702	YFCXNYLEWFXHMY-UHFFFAOYSA-N	419.525	3.924	10	20	HHCD	
COc1ccc(N2CCC(NCCNC(=O)c3ccccc3C(F)(F)F)CC2)cc1	1116519069	KDJSIOVIFWVAQH-UHFFFAOYSA-N	421.463	3.702	10	20	HHCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12	1320142546	LRIAWFMFCPSPBE-ACRUOGEOSA-N	419.477	3.645	10	20	HHCD	
CN1CCN(c2ccc(CN3CCO[C@@H](c4cccc(Cl)c4)C3)cc2F)CC1	1320413870	PYNQNMOADLYHMP-JOCHJYFZSA-N	403.929	3.804	10	20	HHCD	
CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)c(O)c(Cl)c3)CC2)CC1	1830734668	AYAHXLGJUAYADP-QGZVFWFLSA-N	420.937	3.785	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl	108243759	MSNNKEVQRSSJRS-KRWDZBQOSA-N	407.297	3.962	10	20	HHCD	
Cc1c(CNC(=O)NCc2ccc(O)c(Br)c2)n(C)c2ccccc12	472038412	PGXKOTNHPXBUQW-UHFFFAOYSA-N	402.292	3.954	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2cc(C(F)(F)F)ccn2)CC1	530430838	YNHGIJGBIRCXAT-UHFFFAOYSA-N	401.388	3.923	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(N2CCCC2)c1	726288499	IPVBSPWVOBHUFI-UHFFFAOYSA-N	420.557	3.874	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC3(CCCCC3)CC2)c1	726590943	ADOOVWLUZHLWSW-UHFFFAOYSA-N	400.563	3.973	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(O)(c3ccccc3)c3ccccc3)CC2)cc1	726627431	KWEDCBADOGTYDP-UHFFFAOYSA-N	416.521	3.716	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cc4sc(C)nc4cc3OC)CC2)cc1	726848712	YEUMIEFHQLXGLZ-UHFFFAOYSA-N	412.515	3.976	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3cccc4c3OCCCO4)SC2=S)cn1	726986741	WOJSNPZRGYWCIU-GDNBJRDFSA-N	400.481	3.657	10	20	HHCD	
CCC[C@@H]1CCc2c(sc(=O)n2CN2CCN(c3ccc(OC)cc3)CC2)C1	728039598	OVYFRWWRJWCAJS-QGZVFWFLSA-N	401.576	3.603	10	20	HHCD	
Cc1cc(CC(=O)N2CCC[C@H](C3OCCO3)C2)c(C)n1-c1ccc(Cl)cc1	728076315	CQPJTFDTLMHOMM-KRWDZBQOSA-N	402.922	3.902	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N[C@H](c3cccs3)C3CC3)cc2F)CC1	730114711	CHIHEQCTZOSUFB-NRFANRHFSA-N	416.566	3.980	10	20	HHCD	
COc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c([N+](=O)[O-])cc1OC	731015324	NSSCPYFYYRESFI-UHFFFAOYSA-N	413.474	3.778	10	20	HHCD	
Cc1ncsc1CN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	731214472	QEWQKELMHJZQTI-AWEZNQCLSA-N	419.506	3.686	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCC(=O)N2CCc3sccc3C2)cc1F	731346120	SASVLIPNTREMCE-UHFFFAOYSA-N	417.550	3.715	10	20	HHCD	
CC[C@H](NC(=S)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccs1	734373335	ITMSFTLVPIYYJX-AEFFLSMTSA-N	416.616	3.565	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1	734547207	KYEMSSTVBXHWGO-YLJYHZDGSA-N	420.431	3.979	10	20	HHCD	
Cc1cc(S(=O)(=O)NCCCSc2nccs2)c(C)cc1Br	735315172	FAVNCTPBAQORNP-UHFFFAOYSA-N	421.407	3.983	10	20	HHCD	
CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1	740813044	OYTNATOXAYAPAR-UHFFFAOYSA-N	420.556	3.957	10	20	HHCD	
Cc1noc(Cl)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	744325659	UDIVQSDIBNVVMH-BETUJISGSA-N	409.889	3.638	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2c(cnn2C(F)F)c1	747394899	XWQVHBMVISYWNE-UHFFFAOYSA-N	415.444	3.932	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)N3CC(Cc4ccccc4)C3)cc2F)C[C@@H](C)O1	752896723	WYNCZQGUGAEMTM-QZTJIDSGSA-N	411.521	3.823	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1F	753920227	SPSWZYDMVLDHFA-KDOFPFPSSA-N	405.420	3.500	10	20	HHCD	
CC(C)n1cnc(S(=O)(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c1	753924731	ZLPCLIAHMCZEPM-UHFFFAOYSA-N	414.516	3.574	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)c(F)c(O)c1F	755425206	NBKVXPFHJLLUAI-SNVBAGLBSA-N	416.346	3.810	10	20	HHCD	
C[C@@H](NCCCS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1O	756439984	BFPLFSNGJPIDIS-CQSZACIVSA-N	412.349	3.810	10	20	HHCD	
C[C@@H](NCc1ccccc1CN1CCC[C@@H]1CO)c1cc(Br)ccc1O	757637566	HWFWHZSPEYJPDB-DNVCBOLYSA-N	419.363	3.962	10	20	HHCD	
C[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Br)c(F)cc1O	757657146	MEYVAYHRCPUWDA-YVEFUNNKSA-N	422.298	3.531	10	20	HHCD	
C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CN1Cc1ccccc1	757775601	YFYWLFCEKQZXRN-UEVCKROQSA-N	423.557	3.746	10	20	HHCD	
CC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C	758966248	NWQZOZBZHFVWGZ-UHFFFAOYSA-N	406.438	3.664	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnc([C@@H]3CCCO3)s2)cc1	760310365	SIVBDXHQXXAAAN-OALUTQOASA-N	415.559	3.882	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-n2nccc2C(F)(F)F)cc1	761632374	PGMXIRCNSJITKE-UHFFFAOYSA-N	406.364	3.667	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCOc2cc(F)ccc21	762292858	RMZZRYWWQHENIA-MRXNPFEDSA-N	404.825	3.863	10	20	HHCD	
COCCNc1ccccc1CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	762661464	OGCHNFSELLGSLM-UHFFFAOYSA-N	410.562	3.981	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H](O)c1cc(Cl)cc(Cl)c1	765060616	RIXJTHLTXXKHKV-HXUWFJFHSA-N	423.340	3.552	10	20	HHCD	
C[C@H](c1ccccc1)N(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1O	765493658	XQEBDRCUGLAHOA-LJQANCHMSA-N	424.541	3.757	10	20	HHCD	
O=C(CCC(=O)NCc1cccc(Br)c1O)CCC(=O)c1cccs1	765730523	CPRNOBIMFDCCRO-UHFFFAOYSA-N	424.316	3.845	10	20	HHCD	
CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1	767741750	RCHPMKXRWZTZTK-HXUWFJFHSA-N	421.557	3.835	10	20	HHCD	
Oc1ccccc1CN(Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCCO1	768162113	LLUJCGIIPXOZOZ-IBGZPJMESA-N	407.470	3.692	10	20	HHCD	
C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCCCSc1nccs1	768691331	AAWPEXVNNUAKAH-LSDHHAIUSA-N	401.598	3.629	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)oc2c1C(=O)CCC2	768912599	PGCTYVSOHVWIPR-INIZCTEOSA-N	416.905	3.860	10	20	HHCD	
COCCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1	769886721	RVXJOXJJPPITSH-INIZCTEOSA-N	418.921	3.693	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc([C@@H]4[C@H](C=C(C)C)C4(C)C)n3)CC2)cc1	771057502	OOHPKOWLCZQLMF-UGKGYDQZSA-N	424.545	3.675	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)cc2nccnc12	771058817	OCWOJKRPTSZDNJ-INIZCTEOSA-N	414.868	3.522	10	20	HHCD	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCN(C)CC4)cc3)NC2=S)cc1	771520044	IMSVMWGUGMVJLA-CJLVFECKSA-N	420.582	3.824	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC(=O)NCC(F)(F)F)cc1	772062675	AFIOWIJXKCOQFQ-UHFFFAOYSA-N	407.396	3.576	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(OC(F)F)cn1	772113086	HCBLZSZSPALWSG-LBPRGKRZSA-N	413.371	3.683	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1	773759912	AAQBHQZPYZKTKN-LBPRGKRZSA-N	405.376	3.663	10	20	HHCD	
CCCC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C	773855266	FPOPZLPWNYJLBH-MRXNPFEDSA-N	410.518	3.616	10	20	HHCD	
COc1ccc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)cc1OC(F)F	775648278	CMSWMHVJKOLVRQ-UHFFFAOYSA-N	405.489	3.680	10	20	HHCD	
C[C@@H](NC(=O)N1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(N(C)C)cc1	776246172	PKKOPZLGOMYQFV-MRXNPFEDSA-N	407.518	3.916	10	20	HHCD	
CCNC(=O)N1CCc2ccc(N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)cc21	777698049	ZDMHUVSEZIJJHL-INIZCTEOSA-N	412.509	3.927	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1O	779039838	SAXSRZLDEOPRIR-GWCFXTLKSA-N	409.246	3.667	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1	779460269	NAGGGLGPJCNYCZ-UHFFFAOYSA-N	423.557	3.885	10	20	HHCD	
CN(C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(OCc2ccccc2)cc1	781960371	GVRSAVYOPPSHEQ-QHCPKHFHSA-N	411.523	3.839	10	20	HHCD	
COC(=O)COc1ccc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)cc1	782189610	UHGASEUMDPYZSP-WJDWOHSUSA-N	419.549	3.744	10	20	HHCD	
COC(=O)[C@@H](Cc1ccc(F)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	783570907	JVPWISYFHBEJSP-FXAWDEMLSA-N	422.447	3.770	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	785336708	IMQOPHAWZRXZHE-LJQANCHMSA-N	419.591	3.549	10	20	HHCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(C4CCC4)cc3)cc2)C1	786234585	YUOIDJYJKINZSI-FQEVSTJZSA-N	406.530	3.978	10	20	HHCD	
CC[C@H](C)[C@@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccccc1	786659513	LXNFGOHTOLPCJU-YADARESESA-N	407.558	3.801	10	20	HHCD	
COC[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(Cl)cc1	787374787	VUWONJFWEBGIJP-HNNXBMFYSA-N	413.699	3.995	10	20	HHCD	
COc1cncc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)n1	791694410	ADWBBAAJTPNRBR-UHFFFAOYSA-N	417.824	3.725	10	20	HHCD	
COc1cccc(Oc2ccc(CNC(=O)NCc3ccc(OC)cc3O)cn2)c1	792811245	WIKWLSKVGSTFCN-UHFFFAOYSA-N	409.442	3.596	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)CCC(=O)c2cnn(C)c2)c1C	796155251	BWZAQWOFSXBWRO-UHFFFAOYSA-N	407.470	3.525	10	20	HHCD	
Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc(C)c1Cl	799836709	YRUSXBQSDGPPMJ-UHFFFAOYSA-N	411.683	3.680	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](c4ccccc4)C3)cc2)CC1	805024649	SSVDLRLYLUJCGP-QFIPXVFZSA-N	405.542	3.555	10	20	HHCD	
CC[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1cc(Cl)cc(Cl)c1O	806133325	LEHJLYCSPNPQFD-FUHWJXTLSA-N	405.391	3.948	10	20	HHCD	
CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NCc2ccc3c(c2)CCN3Cc2ccccc2)C1	808445191	ALUGBUOIALJKGH-ISJGIBHGSA-N	403.570	3.986	10	20	HHCD	
C[C@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cc(F)cc(F)c1O	810253964	BYCVLPBJTJDEKE-ZDUSSCGKSA-N	415.440	3.890	10	20	HHCD	
C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1(F)F	812067313	MQRVDLHLZCVPSW-KGLIPLIRSA-N	403.420	3.944	10	20	HHCD	
COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	821006657	UVYJLLLYEVHMLX-NRFANRHFSA-N	410.474	3.798	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2	917657865	CADWJQJQFIUBBJ-UHFFFAOYSA-N	415.559	3.627	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cc4ccccc4nc3O)cc2F)C[C@@H](C)O1	918140720	ONIMAFMPCFYJON-HUUCEWRRSA-N	409.461	3.623	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cc2ccncc2)cc1	918303882	MPCCSDYSSZAOLW-UHFFFAOYSA-N	416.525	3.726	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1	918461321	SERZUFAKEJTRRT-UHFFFAOYSA-N	422.312	3.679	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H](C)c3ccc(C)s3)CC2)cc1	919787801	KWVNKOSJRNORFH-SFHVURJKSA-N	416.591	3.638	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)OC[C@H]3CCCO3)c2C)cc1F	921102550	UTBIGWUKHQQQFL-PKOBYXMFSA-N	417.477	3.852	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[S@](=O)Cc1ccccc1	303919825	TVZUMRBQPSJYCM-LJAQVGFWSA-N	413.587	3.767	10	20	HHCD	
Cc1c(CNC(=O)NCc2ccc(OCC(F)(F)F)nc2)n(C)c2ccccc12	527175792	MKVNMNFAUQBHTI-UHFFFAOYSA-N	406.408	3.822	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1	725761467	RVXWCKMRNMEHRG-UHFFFAOYSA-N	419.510	3.710	10	20	HHCD	
COc1cccc(O)c1CNC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1	725846097	UDUNDWLNNYGMDX-KSSFIOAISA-N	408.901	3.745	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1	725863332	DHFBNGJGLGJFIU-UHFFFAOYSA-N	418.582	3.979	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c4c(c3)OCO4)SC2=S)cn1	726986415	PNUQPPCRCSVZCZ-AWNIVKPZSA-N	406.872	3.878	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)[C@@H](c3ccccc3)N3CCN(C)CC3)cc2)CC1	731053480	RQUCBUUXHQZQMF-RUZDIDTESA-N	420.601	3.528	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c1	734016871	KLRFGZCKEDDLKO-JOCHJYFZSA-N	418.493	3.887	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC2(CCCC2)c2c(F)cccc21	734702955	FNDXUWMMOYDCHK-UHFFFAOYSA-N	409.505	3.675	10	20	HHCD	
CC(=O)Nc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1F	736626071	VQYHJJRGXPYSHM-UHFFFAOYSA-N	419.522	3.595	10	20	HHCD	
COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1OC	742797263	AGYXRSMHJFNNAY-CQSZACIVSA-N	406.429	3.704	10	20	HHCD	
Cc1nn(C)c2sc(C(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc12	742802187	WJOLVNKQWCQPBK-CYBMUJFWSA-N	420.485	3.943	10	20	HHCD	
COc1ccc(CNC(=S)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1	743016681	ZBEXIDIOJRYFGM-INIZCTEOSA-N	421.513	3.930	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C[C@H](O)COCc1ccccc1F	743871200	WLKBJIHLIWPNKG-KRWDZBQOSA-N	412.299	3.693	10	20	HHCD	
CCc1noc([C@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)n1	744475461	WLSPHKWZWSTCBN-JTQLQIEISA-N	410.813	3.979	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccccc2Cn2cncn2)c(C)n1-c1ccccc1	745525433	FPPCSEWDBVROKD-UHFFFAOYSA-N	414.465	3.774	10	20	HHCD	
C[C@H](CCc1ccccc1F)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	745576101	FVBWOYYECGWIQL-QGZVFWFLSA-N	400.494	3.662	10	20	HHCD	
CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1cccc(Br)c1	746654124	YCTMVOINMVJYIO-UHFFFAOYSA-N	418.379	3.996	10	20	HHCD	
CC(C)CCc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	746994859	UIPQPWCQLDTOEJ-LJQANCHMSA-N	423.557	3.928	10	20	HHCD	
Cc1c(Br)cccc1S(=O)(=O)NCCCSc1nccs1	747266828	LAWYRROYSJNDAN-UHFFFAOYSA-N	407.380	3.675	10	20	HHCD	
CN1CCCc2cc(CNC(=O)NC[C@@H](O)c3ccc(OC(F)(F)F)cc3)ccc21	747307328	YQVJRWRXFPMRLK-LJQANCHMSA-N	423.435	3.500	10	20	HHCD	
CC(C)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCCC[C@H]1C	751929678	AYFAHSRECHZEBT-QRWLVFNGSA-N	415.559	3.899	10	20	HHCD	
COc1ccc(N(C)CC(=O)N(C)CC(=O)Nc2ccccc2SC)cc1Cl	755037198	HVYGXKCWKYLBMU-UHFFFAOYSA-N	421.950	3.604	10	20	HHCD	
C[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccncc1	756776936	CVHJIQJKNCUNSG-OAHLLOKOSA-N	407.436	3.747	10	20	HHCD	
CCCc1nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)co1	759899731	BZGCADYKFNFQQE-QGZVFWFLSA-N	416.522	3.689	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCCC[C@@H]3CCCCO3)cc2F)C[C@@H](C)O1	760654890	FEBMCHGVQHLFEF-SCTDSRPQSA-N	407.530	3.588	10	20	HHCD	
C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(N2CCCCC2)cc1	764812539	MLNTYZMVTXWTMI-GOSISDBHSA-N	401.576	3.778	10	20	HHCD	
CCC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc([N+](=O)[O-])c1	765256065	SJPBFJQRKXERMW-DENIHFKCSA-N	410.518	3.928	10	20	HHCD	
C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1CCCN(C2CCC2)C1	765534936	FSLCLBZKCJRAGL-DZGCQCFKSA-N	410.356	3.607	10	20	HHCD	
COc1cc(NC(=O)c2ccccc2)c(C(=O)NCc2ccccc2O)cc1OC	769361736	UADWUWNDMBTOGD-UHFFFAOYSA-N	406.438	3.592	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(F)cc1OC1CCCC1	770270895	RNNUDQBXSUGWFC-UHFFFAOYSA-N	423.488	3.778	10	20	HHCD	
CC(C)[C@H](CCN(C)Cc1ccc(N2CCOCC2)cc1)NC(=O)OC(C)(C)C	770284444	QQNIBDAENKFPAK-NRFANRHFSA-N	405.583	3.894	10	20	HHCD	
CN(C)CC(=O)Nc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	770571613	SEAGXCXOCAWHFK-UHFFFAOYSA-N	411.506	3.697	10	20	HHCD	
CCc1cc(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(O)c(C(C)(C)C)c1	771624318	OWXNLLWBPAAWTR-UHFFFAOYSA-N	411.546	3.789	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1	772688444	OLMPSRFVPSWYNW-XZOQPEGZSA-N	421.545	3.839	10	20	HHCD	
C[C@H](CNC(=O)OC(C)(C)C)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl	773098225	ZMWDDYUZLRTYEW-HOTGVXAUSA-N	411.974	3.988	10	20	HHCD	
O=C(Nc1cnc2c(c1)COCC2)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	777739193	DTCKGEOJZYKSCK-HNNXBMFYSA-N	418.444	3.546	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)ccc21	778479310	MVIRXLLWAPBVAS-HNNXBMFYSA-N	417.550	3.938	10	20	HHCD	
COc1ccc(-c2cc(C(=O)NCc3ccc(O)c(O)c3)nn2-c2ccccc2)cc1	778921428	ANACQHYFXKSUQH-UHFFFAOYSA-N	415.449	3.889	10	20	HHCD	
Cc1cc(Br)cc([C@H](C)NCc2cccc(OCC(=O)N(C)C)c2)c1O	779005630	XIFBTTGYNUXXNT-AWEZNQCLSA-N	421.335	3.781	10	20	HHCD	
CCOC(=O)[C@H](NCc1cccc(Br)c1O)c1ccc(OC)c(F)c1	779186574	SCAAOMJGGBCVFD-MRXNPFEDSA-N	412.255	3.696	10	20	HHCD	
COCC(=O)N1CCc2cc(NCc3cc(Br)cc(C)c3O)ccc21	779191860	YVGZWZRSWGOMNS-UHFFFAOYSA-N	405.292	3.611	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1[N+](=O)[O-]	782895696	GYJCCLHLVQCVEC-UHFFFAOYSA-N	411.458	3.909	10	20	HHCD	
O=C(COC(=O)c1ccccc1N=Nc1ccc(O)cc1)NC(=O)NC1CCCC1	784498869	LJDPZSGPFOKULC-UHFFFAOYSA-N	410.430	3.733	10	20	HHCD	
COCN1C(=O)CCc2cc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)ccc21	787944085	FGKQRJCTKLFSCC-UHFFFAOYSA-N	404.470	3.625	10	20	HHCD	
CCn1cc(N2C(=O)/C(=C/c3nc4ccc(OC)cc4s3)SC2=S)cn1	788678361	PNWASHMOIGURFA-AUWJEWJLSA-N	402.526	3.927	10	20	HHCD	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2OCC)cc1Br	790409378	PAXDHIVHLKQHQV-UHFFFAOYSA-N	416.293	3.753	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)CCNC(=O)N1CCc2ccccc2C1	801549963	JDASRVCMLYASGD-UHFFFAOYSA-N	409.530	3.679	10	20	HHCD	
CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1	802008696	HUQTTWGIUJEECH-FQEVSTJZSA-N	420.561	3.677	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCCc1cccc(Cl)c1	803470924	LRFKTEBBLHHLSN-UHFFFAOYSA-N	402.922	3.923	10	20	HHCD	
C[C@@H](NC(=O)C(=O)NCC(C)(C)c1ccccc1Cl)c1ccc(N(C)C)cc1	804523782	AVYHVWRGRJTWAC-OAHLLOKOSA-N	401.938	3.677	10	20	HHCD	
O=C(NCc1ccc(CN2CCCC2=O)cc1)NCc1cc(Cl)cc(Cl)c1O	804939475	NBMZDTBWTUOIGP-UHFFFAOYSA-N	422.312	3.821	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H](c3ccccc3C)N(C)C)CC2)cc1	806684103	QOCZIHCTPUYPQE-NTKDMRAZSA-N	424.589	3.963	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1nc(C2CCC2)cs1	807512912	BLTSZJLXZOVVIV-UHFFFAOYSA-N	400.287	3.678	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(OC(F)F)c1	807513949	ZNAYJNLCEPUAKJ-UHFFFAOYSA-N	405.184	3.555	10	20	HHCD	
COC(C)(C)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	807605713	VVMIZVFDPRRKIS-HZPDHXFCSA-N	423.985	3.512	10	20	HHCD	
C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCN1Cc1ccccc1	807621829	LEGDFIJSEAHQCD-OIBXWCBGSA-N	423.557	3.746	10	20	HHCD	
COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1	811822509	BCYNNTJJRPWYOL-UHFFFAOYSA-N	402.497	3.635	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@H](c2cccc(Cl)c2)CC1=O	812278859	QAAGGDBLDBDGDS-HXUWFJFHSA-N	413.949	3.582	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	914777947	HPBMVRILOVUYEZ-QGZVFWFLSA-N	415.484	3.821	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@H]2CCCO2)c(C)n1-c1ccc(OC(F)F)cc1	915565314	QBAGGGIEBJPAPU-QGZVFWFLSA-N	407.413	3.991	10	20	HHCD	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)[C@H]1COCCO1	916438366	JSVNPVDXVDWSLB-IEBWSBKVSA-N	408.420	3.714	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCN(c2ccccc2)C1	916579425	COSQKIVINYIMRY-HXUWFJFHSA-N	410.587	3.566	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)cc1O	917381029	SBQAHUBPNBWBCO-UHFFFAOYSA-N	414.811	3.831	10	20	HHCD	
O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])n2)c1	918187565	CCYLLEXXGXGYQR-UHFFFAOYSA-N	424.391	3.566	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)cc1	918625056	OSBKCEFPJAXQSU-JOCHJYFZSA-N	410.562	3.673	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)CC2)cc1	1116421848	YMWKDOJQJGUIEK-UHFFFAOYSA-N	423.557	3.824	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC([C@H]4C(=O)Nc5ccccc54)CC3)cc2F)CC1	1254005352	ZPUCISATTXSWLD-XMMPIXPASA-N	422.548	3.525	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCN2CCCO[C@@H](C)C2)c1	1321146157	HFHDIEARFYDFEV-SFHVURJKSA-N	403.954	3.978	10	20	HHCD	
O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	7155194	RAFHMCYWHCMIDR-YBEGLDIGSA-N	408.464	3.936	10	20	HHCD	
COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc(O)c1O	24034280	LCCAQOMBCQHKHJ-NRFANRHFSA-N	406.394	3.606	10	20	HHCD	
CCCCN(C(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@H]1CCS(=O)(=O)C1	72028391	KMIRUINBQXENRX-FQEVSTJZSA-N	402.560	3.832	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cc1)C1CCCCC1	195717888	YTKDTNUCWYPVBR-ROUUACIJSA-N	411.468	3.529	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1cccc(C(F)(F)F)c1	248086918	WSPVERHUXVPZCN-UHFFFAOYSA-N	408.420	3.579	10	20	HHCD	
CCc1cccc2c1OCC[C@H]2NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	725876815	MMWDFPQHSYXYGZ-JOCHJYFZSA-N	409.530	3.751	10	20	HHCD	
CCn1c(C)nnc1S[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	726432440	JKSUHLMTNMBTQW-GFCCVEGCSA-N	420.494	3.501	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)CC(C)C	726704308	MNLASDQTYUBNCX-OAQYLSRUSA-N	404.599	3.720	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)ccc21	728637336	JXLZCUNWESFFSC-UHFFFAOYSA-N	422.481	3.903	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)C2(C(=O)NC3CC3)CCC2)c1C	729737528	WNWIXOMNAJSLRD-UHFFFAOYSA-N	408.498	3.577	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3F)cc2)CC1	731131250	ICBXVOVDSKOEGE-UHFFFAOYSA-N	403.885	3.970	10	20	HHCD	
COc1cccc(CNC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)c1O	737286413	ZYWHOAGFPQTSCS-UHFFFAOYSA-N	400.500	3.690	10	20	HHCD	
CCOC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1F	739997578	ZCDNDQKVMLUFLM-GOSISDBHSA-N	408.267	3.917	10	20	HHCD	
O=C1CCc2cc(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)c(F)cc2N1	741136416	WQBRABVIZUBFJK-UHFFFAOYSA-N	417.506	3.892	10	20	HHCD	
Cc1cc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)c(C)n1-c1cccc(C(C)C)c1	742180202	XGYXPQZJHOBPEJ-HXUWFJFHSA-N	420.600	3.777	10	20	HHCD	
CC(C)c1noc(CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	742801374	QCXYVZFDTINCEP-AWEZNQCLSA-N	408.449	3.512	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1	742801985	VJZNCFUZWJYOCF-AWEZNQCLSA-N	409.364	3.734	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCCCN1CCC(C)CC1	745349556	WKPSURBREPVWKS-UHFFFAOYSA-N	412.372	3.808	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1	745792516	DEEUNAKITNIXST-UHFFFAOYSA-N	417.550	3.717	10	20	HHCD	
O=C(CNC(=O)N(Cc1ccccc1O)C1CCCCC1)N1CCc2ccccc2C1	745795851	KNGCWHHXWRAMJO-UHFFFAOYSA-N	421.541	3.821	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C)Cc3c(C)noc3C)c2C)cc1	745982404	NPIJLCPJXYMZAM-UHFFFAOYSA-N	409.486	3.800	10	20	HHCD	
COCCn1c(C)cc(/C=C2/NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C	747981067	ZDEXOVPTYKRSNK-VCHYOVAHSA-N	403.935	3.975	10	20	HHCD	
Cc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1C(F)(F)F	748691596	MDASLZKZDCYKIH-UHFFFAOYSA-N	400.422	3.651	10	20	HHCD	
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	750670430	KTECABQNIRXPQU-DPELMXMRSA-N	404.532	3.777	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCSC2(CCCCC2)C1	751082860	KPCRRHCTIQRHLU-UHFFFAOYSA-N	421.582	3.748	10	20	HHCD	
Cc1cc(C)n(-c2ccc(C(=O)Nc3c(-c4ccccn4)nc4ccccn34)cn2)n1	751298656	DIYJGGOCCZWCRJ-UHFFFAOYSA-N	409.453	3.846	10	20	HHCD	
COc1cccc(CO[C@H](C)C(=O)Nc2c(-c3ccccn3)nc3ccccn23)c1	751302785	QIIVGQQSQYHDGT-MRXNPFEDSA-N	402.454	3.949	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccn(-c3ccccc3F)n2)cc1	751406964	SKAWERDHXKGPOL-FQEVSTJZSA-N	422.504	3.899	10	20	HHCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cnc(-c2ncccn2)s1	754554004	WFFOAXQHTNCKGJ-UHFFFAOYSA-N	412.430	3.628	10	20	HHCD	
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(N2CCCC2)c1	755120311	DFZIKCKIYPYVIB-LJQANCHMSA-N	408.546	3.684	10	20	HHCD	
C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F	755580990	RZTUTFVFGFBMRE-WMLDXEAASA-N	402.422	3.751	10	20	HHCD	
C[C@@H](NCc1ccccc1N1CCOCC1)c1cc(Br)c(F)cc1O	756483881	YSLOZUKFWAUVSL-CYBMUJFWSA-N	409.299	3.981	10	20	HHCD	
C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cc2c(cc1O)CCCC2	756869377	UTXVMGUWTKBBJX-QGZVFWFLSA-N	409.530	3.715	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	759571329	WXPBSFZKKADPDO-QGZVFWFLSA-N	405.545	3.847	10	20	HHCD	
C[C@@H](NC(=O)NCCCSc1nccs1)[C@H](O)c1c(F)cccc1Cl	759600456	FVPVBKJAMYLRNV-YGRLFVJLSA-N	403.932	3.839	10	20	HHCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	760420502	HCWVUGBTEFNZND-KBXCAEBGSA-N	408.539	3.509	10	20	HHCD	
COc1ccc([C@@H]2NC(=O)N(Cc3ccc(N(C)C4CCCCC4)cc3)C2=O)cc1O	761176278	FWDXBFPMWYYICO-QFIPXVFZSA-N	423.513	3.963	10	20	HHCD	
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1COc2ccc(Cl)cc21	762061689	QAEHXGWDLQPRQW-GOSISDBHSA-N	403.935	3.826	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cc(F)cc(Cl)c3)cc2)C1	764207651	LGPZFFRIEDFXMR-CQSZACIVSA-N	404.873	3.503	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)c2C)c1	764468628	ZNSPHTAWMSQXLP-CPJSRVTESA-N	422.617	3.543	10	20	HHCD	
Cc1nccn1-c1ccc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1	765257694	ZPKBYWOCGUKWAY-GCJKJVERSA-N	417.557	3.733	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)Nc1cccc(OCC(F)F)n1	765346009	SDWZJHJXAUQDFH-UHFFFAOYSA-N	402.195	3.515	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1ccc(Br)cc1F	765758329	VDEWKWHMBSJDDI-UHFFFAOYSA-N	403.045	3.986	10	20	HHCD	
Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(N2CCOCC2)c1	766534175	CFIMHGASLPAEEB-IBGZPJMESA-N	413.537	3.658	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)c2ncccc12	768032114	WMOBPIPGLPWUHP-UHFFFAOYSA-N	420.513	3.735	10	20	HHCD	
COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O	769282151	LQVMMEYINRIWNB-IBGZPJMESA-N	400.475	3.625	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1	769317889	SRTVVCRPWKECBD-ICSRJNTNSA-N	401.576	3.653	10	20	HHCD	
COc1cccc(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1F	769902441	DZIWYBUBPGEBOM-UHFFFAOYSA-N	404.397	3.660	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)c2)CC1	770143038	IIIXENCVEPVKLR-UHFFFAOYSA-N	418.497	3.926	10	20	HHCD	
CC(C)Oc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc1	773287131	WULUIHPSHMFSMD-UHFFFAOYSA-N	406.573	3.506	10	20	HHCD	
Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	773764043	UJISFHZRNTXOOQ-MRXNPFEDSA-N	411.527	3.740	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)c3ccc(SC(C)C)cc3)nc12	775352416	LPUQGJMQJWHLIF-CQSZACIVSA-N	414.531	3.963	10	20	HHCD	
CO[C@@H]1CCC[C@H]1CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	775518740	XZHALDKCSUDPKA-HYIULROMSA-N	424.613	3.661	10	20	HHCD	
C[C@@H](NC(=O)NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(N(C)C)cc1	776111000	QHFJBNXQICEYNW-MRXNPFEDSA-N	412.509	3.557	10	20	HHCD	
O=S(=O)(Nc1ccc(O)cc1)c1ccc(OC(F)(F)F)cc1Br	776745741	ZKWGSYPIEBDIFW-UHFFFAOYSA-N	412.183	3.854	10	20	HHCD	
CCN1CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)[C@H](C)C1	777301252	IRROQAITWGCGKZ-JRGCBEDISA-N	404.599	3.638	10	20	HHCD	
Cc1cc(C)cc(-n2nc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cc2C)c1	777712411	LYEQOSKUHSTKKO-UHFFFAOYSA-N	419.529	3.956	10	20	HHCD	
COC(=O)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1	779547924	YDCVYBQRHYVQQC-ACRUDFBXSA-N	409.360	3.550	10	20	HHCD	
CC(C)COc1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1Cl	783385859	LDACCBRACGUUJF-UHFFFAOYSA-N	417.937	3.879	10	20	HHCD	
Nc1ccc(N(C(=O)C(=O)Nc2cccc(-n3cccn3)c2)C2CCCCC2)cc1	784058170	NSORHQUDOQBJRR-UHFFFAOYSA-N	403.486	3.759	10	20	HHCD	
CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1	784060546	FOWLZZFBTZGPII-UHFFFAOYSA-N	408.502	3.556	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(O)c2ccsc2c1	788289411	UXZSFWWZEOFFRL-UHFFFAOYSA-N	400.475	3.637	10	20	HHCD	
CC(=O)c1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1C	789996783	SHXAFWLFNYZLKV-LJQANCHMSA-N	400.906	3.951	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)C2CC2)cc1	792229123	WOMAVQUGQWAAIM-JOCHJYFZSA-N	406.574	3.949	10	20	HHCD	
COCC1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCN(C(=O)OC(C)(C)C)CC1	793573063	CALBTJAPGLEPHU-OAHLLOKOSA-N	423.510	3.615	10	20	HHCD	
C[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc2c(c1)OCO2	794270457	GHVAKIMENPJMHP-AWEZNQCLSA-N	418.440	3.905	10	20	HHCD	
C[C@@H](NCCN1CC=CCC1)c1cc(Br)cc(Br)c1O	794832952	IMCRCWZTFOQZRA-LLVKDONJSA-N	404.146	3.830	10	20	HHCD	
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2cc(C)oc2C)cs1	795614385	XQPYDFGUOXDMKO-UHFFFAOYSA-N	409.445	3.738	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2)cc1	798363131	TWVVOGAVYZGNNE-QHCPKHFHSA-N	423.557	3.805	10	20	HHCD	
Oc1ccc(Cl)c(F)c1CNc1cnc(N2CCOCC2)c(Br)c1	798431026	CAEQGUVAMRNIHK-UHFFFAOYSA-N	416.678	3.791	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3cnc4sccn4c3=O)cc2Cl)C1	800050404	VPZAOWRXJBYIEL-ZDUSSCGKSA-N	416.934	3.576	10	20	HHCD	
COc1cc(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)cc(OC)c1OC	803106056	UGLXNDKRJXYBCM-MISYRCLQSA-N	416.562	3.968	10	20	HHCD	
Cc1nn(C)cc1S(=O)(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1	808527547	IBOBRVDXGUYVQB-UHFFFAOYSA-N	403.316	3.960	10	20	HHCD	
CCOC(=O)[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C1CCOCC1	809651824	BBXLXARSGHZFQN-DEOSSOPVSA-N	408.542	3.697	10	20	HHCD	
CC[C@@H](NCC(=O)NCCc1ccccc1OC)c1ccc(C(F)(F)F)cc1O	810239162	XHBIUDBQMWDGFP-QGZVFWFLSA-N	410.436	3.819	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1c2c(cc3c1CCC3)CCC2	810368905	LJKUXPQBYBFRKB-UHFFFAOYSA-N	404.510	3.503	10	20	HHCD	
C[C@@H](NS(=O)(=O)CCc1ccccc1Br)c1ccc(N(C)C)cc1	812507506	TVAIJHDCCUZNEZ-CQSZACIVSA-N	411.365	3.738	10	20	HHCD	
Cc1ccc([C@@](O)(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C(F)(F)F)o1	914438497	BETUKHMDFXZLSB-FQEVSTJZSA-N	410.436	3.985	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)s1	917902406	JCGCADSMABSXBX-UHFFFAOYSA-N	410.502	3.901	10	20	HHCD	
Cc1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)c(C)n1-c1ccc(Cl)cc1	918063796	YGMOAYVGHXMQJV-UHFFFAOYSA-N	424.932	3.909	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCc2nnc(S)n2C)c1	1324373602	ONIQBEKXXYODSL-UHFFFAOYSA-N	403.939	3.527	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccnc2)C3)cc1	1845398156	GAQWXHVELZOCDN-UHFFFAOYSA-N	414.509	3.620	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)Nc3ccc(SC)cc3)CC2)cc1	4792128	PDYNEHPXIDKNAK-UHFFFAOYSA-N	414.575	3.751	10	20	HHCD	
CN(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(N2CCCCC2)cc1	10056311	GLYXNFVAKPFCIV-UHFFFAOYSA-N	420.557	3.874	10	20	HHCD	
Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	13313365	SZGAPELUWWMEGT-UHFFFAOYSA-N	402.516	3.504	10	20	HHCD	
CCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1	64573528	ZEVNUEZOGKHUAG-UHFFFAOYSA-N	415.559	3.846	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C	471228866	YFCRGOZOYKCRIQ-NRFANRHFSA-N	419.525	3.806	10	20	HHCD	
O=C(O)Cn1c(/C=C\c2cnn(Cc3ccccc3Cl)c2)nc2ccccc2c1=O	675724774	MDUYRTOTVIVYKL-KTKRTIGZSA-N	420.856	3.550	10	20	HHCD	
CC(C)N(Cc1cccs1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	726101049	AQPYICPZRYVCGE-SFHVURJKSA-N	414.575	3.570	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc4c(s3)CCOC4)cc2F)C[C@H](C)O1	728469322	PSSVRVYVSKAORR-KBPBESRZSA-N	404.507	3.504	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCCCc3ccc(O)cc3)cc2)C1	729525366	LVRMCHLTEIRNLQ-OAQYLSRUSA-N	423.557	3.513	10	20	HHCD	
CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	731403958	CBHDPFONMMLGGT-HKUYNNGSSA-N	420.573	3.898	10	20	HHCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1	732477896	SKHVIWXQPWDLLF-UHFFFAOYSA-N	405.385	3.594	10	20	HHCD	
Cc1cc(S(=O)(=O)NCCCSc2nccs2)ccc1Br	733899531	JBZSEPIZIFZTCT-UHFFFAOYSA-N	407.380	3.675	10	20	HHCD	
COc1ccc(O)c(CNC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1	734060037	MMRQIVTYTWEEQM-HZPDHXFCSA-N	411.502	3.841	10	20	HHCD	
Cc1ccc(C2=S=C(/C=C3/N=C(c4ccc([N+](=O)[O-])c(C)c4)OC3=O)C=N2)cc1	734315535	RMSLJXWUJGTMIA-LICLKQGHSA-N	405.435	3.567	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(-c3cnn(C)c3)c2)cc1	741679181	MIVAFYCQKBTTMU-XMMPIXPASA-N	418.541	3.975	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(O)nc2ccccc12	742802573	ZXOOILKAQOGTEA-CQSZACIVSA-N	413.424	3.941	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cn1c(C)nc2ccccc21	743808525	ZSSQFGXQJZCCJW-UHFFFAOYSA-N	402.292	3.862	10	20	HHCD	
Cc1cc(C(=O)[C@H](C)OC(=O)[C@H](O)C2CC2)c(C)n1-c1ccc(OC(F)F)cc1	744988388	DTPKJEYXMPYPMU-ORAYPTAESA-N	407.413	3.581	10	20	HHCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1	745435939	VWZCJXVTSDLYSW-DEOSSOPVSA-N	416.481	3.709	10	20	HHCD	
C[C@@H](CCOc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	745989537	VCXPFLSKQGAQCL-KRWDZBQOSA-N	400.494	3.508	10	20	HHCD	
CCN1CCN(c2ccc(CN[C@H](C)c3ccc(OC)c(OC)c3)cc2F)CC1	746046572	ADBXBBYHTMAHNA-QGZVFWFLSA-N	401.526	3.836	10	20	HHCD	
O=C(NC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1	746751367	MYIWWDHVIYUDKP-HSZRJFAPSA-N	420.557	3.781	10	20	HHCD	
CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1ccc(N2CCOCC2)cc1	746756721	XDNGNXGIOSRANP-UHFFFAOYSA-N	409.452	3.884	10	20	HHCD	
O=C(NCCOc1ncccc1F)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	747526943	XZIIZUSKMXITHS-UHFFFAOYSA-N	407.405	3.770	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1	748053695	AJOZWBVVTIQJCS-UHFFFAOYSA-N	409.939	3.575	10	20	HHCD	
Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccc3O)c2)cc1	748350639	ZSOTWGJUUZJNEJ-UHFFFAOYSA-N	410.495	3.740	10	20	HHCD	
COc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1F	748481723	MBYYVCCALTYHCJ-UHFFFAOYSA-N	410.401	3.587	10	20	HHCD	
CC[C@H](C(=O)N1CCC(NC(=O)N(C)Cc2ccccc2O)CC1)c1ccccc1	749192140	YQTOYILDCYBWMA-NRFANRHFSA-N	409.530	3.718	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](O)c1c(F)cccc1Cl	752994429	CCUKOTUPOUORFO-VBKZILBWSA-N	403.885	3.777	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccnc(Oc2ccccc2)c1	754918471	BCZJTTIYHQEATR-UHFFFAOYSA-N	416.481	3.729	10	20	HHCD	
COc1ccc(CN2CC[C@H](N[C@H](C)c3cc(Br)ccc3O)C2=O)cc1	756711182	JUOHAJZMEZCWPV-ACJLOTCBSA-N	419.319	3.615	10	20	HHCD	
C[C@H](N[C@@H](CO)CC(F)(F)F)c1cc(Br)cc(Br)c1O	756775652	KHWWIYVJPVGTKA-POYBYMJQSA-N	421.051	3.881	10	20	HHCD	
CC(C)NC(=O)Nc1ccc(CNC(=O)NCCCSc2nccs2)cc1	759565298	VQJBAKPFEQKZIZ-UHFFFAOYSA-N	407.565	3.655	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(OCCF)c1	760071633	NAROAAKQJUXKGP-UHFFFAOYSA-N	401.482	3.565	10	20	HHCD	
O=C(Cc1cccc(I)c1)NCCCSc1nccs1	760586560	YEIBYGREMFDTFW-UHFFFAOYSA-N	418.325	3.589	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnc([C@@H]2CCCO2)s1	760741003	BEUPECAXUGNIQX-WBVHZDCISA-N	421.950	3.748	10	20	HHCD	
CC1CCN([C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C(C)C)CC1	761003885	JUXUEVBLVVJLHS-SFHVURJKSA-N	407.942	3.566	10	20	HHCD	
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1c(Cl)cc(F)cc1Cl	761617701	AHLNQHDAELFDAZ-UHFFFAOYSA-N	417.289	3.620	10	20	HHCD	
C[C@@H](N[C@H](c1cccc(F)c1)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1	764813524	FEHLMNQFRAMYCN-OPAMFIHVSA-N	412.484	3.975	10	20	HHCD	
COc1cc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc(OC)c1OC	765294803	AILZAHDCSGGLID-KRWDZBQOSA-N	414.546	3.772	10	20	HHCD	
Cc1oc2c(CN3CCOC4(CCOCC4)C3)c(O)ccc2c(=O)c1-c1ccccc1	767793006	SMHXFFGSDRULTI-UHFFFAOYSA-N	421.493	3.855	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1F	768914960	HFKLNYUURCUZRH-KRWDZBQOSA-N	419.884	3.538	10	20	HHCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1-c1cccc2cnccc12	773991599	BROZHZUTPHSXHH-HNNXBMFYSA-N	400.486	3.681	10	20	HHCD	
Fc1cc(CN[C@@H]2CCCc3occc32)ccc1N1CCN(c2ncccn2)CC1	774137886	YLNAYIWKIQPLGH-HXUWFJFHSA-N	407.493	3.703	10	20	HHCD	
C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1	775257742	MZLDPDPLUTZUGX-IAGOWNOFSA-N	417.500	3.672	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1	779493317	OYOXADPFKILEBO-POHAHGRESA-N	408.433	3.874	10	20	HHCD	
Cc1cnc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(C)c1	780588297	GIEJSJRPFCJYHJ-IBGZPJMESA-N	412.534	3.760	10	20	HHCD	
CCOC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@H]1CCCOC1	781377595	JLXZVMGEFDARNH-JXFKEZNVSA-N	418.921	3.836	10	20	HHCD	
O=C(OC[C@H]1CC1(Cl)Cl)c1cc(NS(=O)(=O)c2cccs2)ccc1O	785408791	YWWLYFQOYLHQCY-SECBINFHSA-N	422.311	3.605	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccnc1OCc1ccccc1F	790489461	BZLBITYSIQJUJZ-UHFFFAOYSA-N	421.472	3.566	10	20	HHCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl	792702945	KDXOJIKEYXXECQ-UHFFFAOYSA-N	408.284	3.920	10	20	HHCD	
O=C(NCCCSc1nccs1)N[C@@H](CO)c1ccccc1OC(F)(F)F	793105012	UCYKXHFYQWEVDA-LBPRGKRZSA-N	421.466	3.557	10	20	HHCD	
COc1cccc(O)c1CNc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1	796431345	WOOPXGPAENVENS-UHFFFAOYSA-N	404.532	3.966	10	20	HHCD	
COc1ccc(CNC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c(O)c1	797618421	KXTGVTHPCAPWRA-UHFFFAOYSA-N	406.364	3.927	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1C[C@H](c2ccccc2F)C1	798091815	HOFSHGCXMSTNQD-QAQDUYKDSA-N	415.484	3.671	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H](CO)CC(F)(F)F)cc2Cl)C1	799993787	FXLBWEXJACVJBH-GXTWGEPZSA-N	407.864	3.689	10	20	HHCD	
CC(C)n1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1	800148969	UGMDKHSORQBWLL-HNNXBMFYSA-N	410.971	3.832	10	20	HHCD	
CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	804135991	XUOFDBKYSTYPGX-JOCHJYFZSA-N	407.558	3.773	10	20	HHCD	
CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C[C@@H](C)S1(=O)=O	805392311	ICBAYGLKJDEUQI-KDOFPFPSSA-N	408.951	3.785	10	20	HHCD	
CCc1sc2nc(SCC(=O)C(C)=O)n(-c3cccc(OC)c3)c(=O)c2c1C	808016074	VMBUJNRRQQLSKU-UHFFFAOYSA-N	416.524	3.577	10	20	HHCD	
COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)nc3C)n2)cc1	808525901	JLSRFVXOFYTFOX-UHFFFAOYSA-N	423.903	3.754	10	20	HHCD	
COC(=O)C1(CS(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)CCCC1	809818324	GXLPLMCVMFKNTN-UHFFFAOYSA-N	409.548	3.590	10	20	HHCD	
O=S(=O)(c1ccc(C(F)(F)F)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1	812497916	FHYRWRDVBGTRIY-ZDUSSCGKSA-N	421.462	3.842	10	20	HHCD	
Cc1nsc(C)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	815710566	PDYZQUKLNUMHPO-QGZVFWFLSA-N	418.563	3.822	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN1C(=O)COc2ccc(Cl)cc21	914505998	VIOMJYOIKUWHFD-UHFFFAOYSA-N	415.921	3.569	10	20	HHCD	
Cc1cccc(C(=O)N2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)c1	916587108	ZNWWIAZRNWLBKT-UHFFFAOYSA-N	420.557	3.653	10	20	HHCD	
COc1ccc(F)cc1[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	916591213	UVSMVUFYOUBNKS-INIZCTEOSA-N	401.482	3.574	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)c3cc(F)c(F)c(F)c3F)cc2F)C[C@H](C)O1	917710402	IKAFNCDXIXMMNV-QWRGUYRKSA-N	414.374	3.926	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4cc(F)ccc4s3)cc2)C1	918370856	CBYRWAKTBMAJBQ-OAHLLOKOSA-N	411.502	3.672	10	20	HHCD	
COc1ccc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c(C)nc2c1	919971060	LOQAIROQEZQNHO-UHFFFAOYSA-N	423.488	3.582	10	20	HHCD	
Cc1cc(C(=O)NCCN2C(=O)COc3ccccc32)c(C)n1-c1cccc(Cl)c1	1251547333	IZPOAXSGBMCIQO-UHFFFAOYSA-N	423.900	3.903	10	20	HHCD	
Cc1ccc(N(Cc2ccccc2)C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1	1319963865	ZULNWGASXVRRNT-UHFFFAOYSA-N	410.495	3.919	10	20	HHCD	
CO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2)CCC1	1790777389	WNFBLEBJMKKDIJ-LBPRGKRZSA-N	418.877	3.534	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=S)Nc3cccc(C)c3C)CC2)cc1	7027531	GSDOZARQIDERSJ-UHFFFAOYSA-N	412.603	3.811	10	20	HHCD	
COc1ccc(-n2c(C)cc(C(=O)Nn3cnc4sc(C)c(C)c4c3=O)c2C)cc1	27153049	RHFWYGOSZQABIJ-UHFFFAOYSA-N	422.510	3.875	10	20	HHCD	
c1ccc(-c2nnc3ccc(NCc4ccc(N5CCSCC5)cc4)nn23)cc1	53573349	YLEMLBLRSRTZJM-UHFFFAOYSA-N	402.527	3.957	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(Cc4ccccn4)CC3)ccc21	484672160	XEXJGXDGSBRQRO-UHFFFAOYSA-N	420.557	3.694	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)ccc21	491137746	MUEBZBBKFCHHFL-AVRDEDQJSA-N	402.560	3.689	10	20	HHCD	
O=C1/C(=C/c2cc(Cl)c3c(c2)OCCO3)SC(=S)N1CCc1ccccn1	726197535	UFEMKGQHOAWJGL-WJDWOHSUSA-N	418.927	3.950	10	20	HHCD	
CC(C)c1nc(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cs1	726716817	IAASSJOVHCMCHR-GOSISDBHSA-N	403.548	3.905	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3ccn(Cc4ccccn4)n3)ccc21	728472473	TYROQOFWTRAART-UHFFFAOYSA-N	403.486	3.797	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4C)ccc21	728475005	ICPFUBAKBRKXPD-MRXNPFEDSA-N	419.525	3.914	10	20	HHCD	
Cc1cc(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccn1	730835752	GHWTXDPSYIIWNP-SFHVURJKSA-N	403.404	3.971	10	20	HHCD	
CCOCCCN1CC[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1	734508720	CTEUYEAUWDHMQK-PZJWPPBQSA-N	418.582	3.812	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1nc(-c2ccc(Cl)cc2)no1	734526800	UJVHBXCBSLYXAY-UHFFFAOYSA-N	411.893	3.990	10	20	HHCD	
C[C@H](NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	741544410	LRLMKWAADGDDJE-SFHVURJKSA-N	423.557	3.677	10	20	HHCD	
CN(c1ccc(CNC(=O)Cn2cc(Br)cn2)cc1)C1CCCCC1	742416222	OVOCIAOQLWUDOD-UHFFFAOYSA-N	405.340	3.731	10	20	HHCD	
COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)c[nH]1	743046078	NUBXCGORXIBFME-UHFFFAOYSA-N	411.892	3.687	10	20	HHCD	
O=C(NCCOc1ccc(F)cc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743531625	FOIHEPPEJZRHOC-MRXNPFEDSA-N	423.435	3.774	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1Cc2ccccc2O1	745523377	CLAHDOHEINKRSP-MRXNPFEDSA-N	405.292	3.690	10	20	HHCD	
CCO[C@@H](CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1	747498460	CBOBUVJTLHKTQC-AVRDEDQJSA-N	403.567	3.869	10	20	HHCD	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1c(-c2ccccn2)nc2ccccn12	751306999	DMOXDTXGWOKXHD-QGZVFWFLSA-N	411.465	3.926	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CC[C@]3(C)CCC(=O)N3)c2C)cc1F	751524192	YZHQMYWZYOAORY-QHCPKHFHSA-N	414.477	3.716	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1F	751608456	GFJFKDWNCYDIBA-IBGZPJMESA-N	407.530	3.542	10	20	HHCD	
C[C@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751935300	ALGZZBRLNCEWEO-KBXCAEBGSA-N	401.532	3.510	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1C	753028021	YZSCLOHBRFNJCQ-QFIPXVFZSA-N	416.525	3.719	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)CO[C@H]2CCOC2)c(C)n1-c1ccccc1Br	753785816	MHONZPZBORLTMX-BBRMVZONSA-N	421.335	3.780	10	20	HHCD	
C[C@H](Cn1ccnc1)N[C@H](C)c1cc(Br)cc(Br)c1O	756405373	ZSCFXOFZNCPURN-NXEZZACHSA-N	403.118	3.853	10	20	HHCD	
C[C@H](N[C@H](CO)CC(F)(F)F)c1cc(Br)cc(Br)c1O	756775654	KHWWIYVJPVGTKA-XPUUQOCRSA-N	421.051	3.881	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1	756924964	XMGRDMAOWKPKKJ-JOCHJYFZSA-N	422.573	3.566	10	20	HHCD	
CCOc1ccc(O)c(CNCCc2cn3cc(Br)cc(C)c3n2)c1	757967205	XGZSQOSOUXXHET-UHFFFAOYSA-N	404.308	3.842	10	20	HHCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)c1ccccc1	759588887	PCXOKCDIADNPKN-KGXYIWNSSA-N	417.461	3.754	10	20	HHCD	
C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@H](c2ccsc2)O1	759730210	ISQYWRKLSCFZGA-CBGDNZLLSA-N	415.559	3.817	10	20	HHCD	
C[C@@H](NC[C@H](CO)Cc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O	760033445	JPYVWMAMVLWTDZ-TZMCWYRMSA-N	409.280	3.565	10	20	HHCD	
COc1cc(N2CCN(C(=O)c3cc4c(C)c(C)ccc4[nH]3)CC2)cc(OC)c1OC	760086773	VNJDXIOHXUZRSL-UHFFFAOYSA-N	423.513	3.773	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)c1	763158034	ICJTXEYCUXFTPM-RBZFPXEDSA-N	414.893	3.938	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2ccccc2Cl)C1=O	764140156	ANQXAOUTYUVISM-JOCHJYFZSA-N	413.949	3.804	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(C2OCCO2)c1	764414110	NFFAEWWBLCIQKQ-KRWDZBQOSA-N	418.440	3.732	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(CCN(C)C)c1-c1ccccc1	764441652	MNGGIIVGISIPHS-UHFFFAOYSA-N	419.573	3.840	10	20	HHCD	
COc1ccc(N2CCC(NC[C@@H](O)COc3ccc(C(F)(F)F)cc3)CC2)cc1	765314466	PIXAWUSJKOMJKW-LJQANCHMSA-N	424.463	3.712	10	20	HHCD	
Cc1cc(C(=O)Nc2ccc(C(=O)NCCO)cc2)c(C)n1-c1cccc(Cl)c1	765450746	AEGPMOOFSZOHCA-UHFFFAOYSA-N	411.889	3.722	10	20	HHCD	
Cc1cc(C(=O)CN2C[C@H](C)N(C)C[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1	768771758	LHPBBQOHGMTCHE-HOTGVXAUSA-N	405.489	3.903	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1	769235840	JSQDVJABPYYLED-UGKGYDQZSA-N	403.592	3.873	10	20	HHCD	
O[C@@H](C[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1	770327139	LLGILZUTVOAGRM-OFNKIYASSA-N	402.485	3.890	10	20	HHCD	
Cc1nc([C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccc(Cl)cc2)no1	770739947	UKYJGOATIJQYNM-HXUWFJFHSA-N	416.884	3.886	10	20	HHCD	
COc1cc(N(C)CCC2CCN(c3ccncc3)CC2)c([N+](=O)[O-])cc1OC	771260056	AFUWCXOBMSHRIV-UHFFFAOYSA-N	400.479	3.750	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1F	771423330	SOTKHECIUXJVFX-UHFFFAOYSA-N	411.477	3.662	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1COc1cccc(C=O)c1	773739830	FCGCSEWVILUYMZ-MRXNPFEDSA-N	405.450	3.850	10	20	HHCD	
COc1ccc(N2CCCN(C[C@H](O)c3ccc(F)c(Br)c3)CC2)cc1	774612911	LXQWTANSSGWADM-FQEVSTJZSA-N	423.326	3.843	10	20	HHCD	
COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1F	775051112	LOHZPXHPCDAGJC-UHFFFAOYSA-N	406.460	3.845	10	20	HHCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c1	775369726	GJZMSJBBBREPMI-JTQLQIEISA-N	408.380	3.585	10	20	HHCD	
C[C@H](NC(=O)c1ccc(I)c(O)c1)c1ccc(N(C)C)cc1	775412580	ZHZVWTXXJOQVKA-NSHDSACASA-N	410.255	3.554	10	20	HHCD	
C[C@H](NC(=O)NC(C)(C)CCN1CCCCCC1)c1ccc(N2CCOCC2)cc1	776119466	HEERLFQUBAIKSP-FQEVSTJZSA-N	416.610	3.928	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@]23CCOC3=O)c(C)n1-c1cccc(Br)c1	779253443	HMXYAKMXJCPTPJ-HXUWFJFHSA-N	417.303	3.778	10	20	HHCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(OCC(=O)Nc2ccccc2)c1	779479242	KYKIIJQLDZJUHO-BENRWUELSA-N	404.422	3.767	10	20	HHCD	
CON(Cc1ccccc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	780656885	KWTQHLGONFSNNF-IRXDYDNUSA-N	401.482	3.713	10	20	HHCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(C)nc2-n2cc(Cl)cn2)c1	786950091	XNMAZJGXNHYJFJ-ZDUSSCGKSA-N	400.866	3.572	10	20	HHCD	
Cc1cccc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1	789864991	TZXJMMHNUUVXBY-JOCHJYFZSA-N	423.582	3.528	10	20	HHCD	
COCCN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cn1	790100879	JIQZHSZVPIQXEL-ATVHPVEESA-N	415.540	3.579	10	20	HHCD	
C[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(N2CCCCCC2)cc1	793566350	UTFPHMKUQMFWDZ-GOSISDBHSA-N	408.546	3.797	10	20	HHCD	
CCn1ncc2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c(C)nc21	799592786	FBZYMJYTKFKFFR-NRFANRHFSA-N	421.545	3.647	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)OCC(=O)N4)cc2Cl)C1	800570024	GAPLRELWMXZEGB-AWEZNQCLSA-N	413.905	3.837	10	20	HHCD	
Cc1cc(-c2nnc(N(C)Cc3cccc(C(N)=O)c3)n2C)c(C)n1-c1ccccc1	800725010	LYJNSCLZZDUPCC-UHFFFAOYSA-N	414.513	3.625	10	20	HHCD	
Cc1cc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C)c(C)n1-c1ccccc1	800766676	RSRODJLLDSZQEL-UHFFFAOYSA-N	420.561	3.584	10	20	HHCD	
CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N(C)C)cc1	806846789	XMTQPUIYHUJRNS-XMMPIXPASA-N	422.573	3.952	10	20	HHCD	
CC(=O)NCC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	807515303	CVUOZKQTOKYNCZ-GOSISDBHSA-N	421.501	3.805	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1ccc2nsnc2c1	807932152	RLDWZLYPYIXUHX-UHFFFAOYSA-N	412.515	3.694	10	20	HHCD	
CS[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)(C)C	808760293	GKAAGZXBFFCIEN-IBGZPJMESA-N	405.608	3.529	10	20	HHCD	
NS(=O)(=O)c1ccc(NCc2c(O)ccc3c2CCCC3)c(C(F)(F)F)c1	811808866	RYFBRBHYGSFRKC-UHFFFAOYSA-N	400.422	3.549	10	20	HHCD	
CCOC(=O)[C@@H](F)C1CN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	817662444	OSSJOIJCUOOQPU-FQEVSTJZSA-N	406.885	3.650	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1	915883482	MPQZTWIBAKNHMA-NRFANRHFSA-N	424.589	3.528	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H]3C3CCCC3)cc2F)C[C@@H](C)O1	917835763	IFRURBDMWASILI-HMFYCAOWSA-N	417.569	3.710	10	20	HHCD	
Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1	920870740	CAZURDUXASNFEF-HNNXBMFYSA-N	407.474	3.764	10	20	HHCD	
CCS(=O)(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1	1117330640	HRGNCFVVBUZSLF-UHFFFAOYSA-N	403.287	3.814	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@H](c3cccc(F)c3)C(C)(C)C)nc12	1319821249	VOHQVJQHTRKJNX-SFHVURJKSA-N	400.454	3.628	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3sc(N4CCCC4)nc3Cl)CC2)cc1	1320394750	QEOARRKTUWJKCK-UHFFFAOYSA-N	420.966	3.758	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccn3C)C2)cc1	1842364084	VFACDQZFQHEIOD-UHFFFAOYSA-N	416.525	3.563	10	20	HHCD	
O=C(c1cccc(Cl)c1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1	1845501779	CFCBMYFTLSRUBH-UHFFFAOYSA-N	421.280	3.535	10	20	HHCD	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1cccs1	13092544	NLJUYIAKQRQQGT-NVNXTCNLSA-N	421.521	3.622	10	20	HHCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1CC(F)(F)F	65597913	UBVOBPDQHGCVHF-HNNXBMFYSA-N	409.452	3.995	10	20	HHCD	
Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N1CCOc2cc(N(C)C)ccc21	439780630	HKWHZECTQMIQHU-UHFFFAOYSA-N	411.893	4.331	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N(CC(=O)N(C)C)c3ccccc3)ccc21	467109811	IUNLBNLFDDTUDA-UHFFFAOYSA-N	407.514	3.640	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCOc4cc(OC)ccc4C3)ccc21	670142089	UAIFGDHGFUSFNP-UHFFFAOYSA-N	408.498	3.948	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(OCCS(C)(=O)=O)c1	725725781	QLCPIQWKNVPCIQ-UHFFFAOYSA-N	418.540	3.831	10	20	HHCD	
Cc1nccn1-c1ncccc1CNC(=O)N(Cc1ccco1)Cc1ccccc1O	726235714	DIUWFBZXYXEEAY-UHFFFAOYSA-N	417.469	3.786	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)N[C@H]3CCCC[C@@H]3C)ccc21	728636805	AYDHNNHESQHQQS-YWZLYKJASA-N	400.519	3.756	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)OCC(=O)c3ccc4c(c3)CC(=O)N4C)c2C)c1	728984953	NSUDLMAYVDRDPU-UHFFFAOYSA-N	416.477	3.961	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCCC3(CCCCC3)C2)c1	732191369	VMBXTQXZPABXHI-UHFFFAOYSA-N	400.563	3.973	10	20	HHCD	
CC(C)(C)OC(=O)NCc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)cs1	732752245	AYGXIRPFRYZUFI-UHFFFAOYSA-N	416.547	3.698	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(O)c1	732885013	ILPQMOLCUAAJPK-AWEZNQCLSA-N	423.435	3.808	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCN(Cc2ccccc2)CC1	740909372	LYLJHWJLUBCDLW-UHFFFAOYSA-N	404.558	3.774	10	20	HHCD	
O=C(CCOc1ccc(F)cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742800372	JNCKVFPZAJUHIH-INIZCTEOSA-N	408.420	3.981	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NCCCCCC(=O)OC(C)(C)C)CC2)cc1	743704218	MILALLLZNVYUPZ-UHFFFAOYSA-N	419.566	3.819	10	20	HHCD	
C[C@H](NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)c1ccc(N2CCOCC2)cc1	746169205	UMPLWVIEOLGWGO-YCRPNKLZSA-N	419.928	3.796	10	20	HHCD	
CC(C)CCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	746994857	UIPQPWCQLDTOEJ-IBGZPJMESA-N	423.557	3.928	10	20	HHCD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	748698984	ULKUHSKLXDJDID-LJQANCHMSA-N	406.885	3.790	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4nncn4c3)c2C)cc1C	749409407	RMHUQOJKGRCAEW-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1O	750826108	JDFUIZANSKZHNV-FQEVSTJZSA-N	412.461	3.662	10	20	HHCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cc(Br)cn(C)c1=O	751434499	GIYOTKPZKUEKFA-UHFFFAOYSA-N	406.305	3.869	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N3CCc4c(F)ccc(F)c4C3)CC2)cc1	752923930	GRTCAPBDWJIERU-UHFFFAOYSA-N	401.457	3.710	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3sc(N4CCCC4)nc3Cl)CC2)cc1F	753740092	NBYOUBYONGUKJF-UHFFFAOYSA-N	424.929	3.507	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3nc(-c4ccccc4)oc3C)CC2)cc1F	753741542	KGBYPXYYRJRZQL-UHFFFAOYSA-N	409.461	3.689	10	20	HHCD	
C/C(=C\c1ccccc1Cl)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	755608663	MLDZWDMECRBRAT-XAVZPLJISA-N	411.933	3.761	10	20	HHCD	
CC(=O)Nc1cccc(OCCN[C@H](C)c2cc(Br)c(F)cc2O)c1	756682123	NEBJDAZQEHCKII-LLVKDONJSA-N	411.271	3.982	10	20	HHCD	
Cc1ccc([C@@H](C)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(O)c1C	756733306	OOKNJSQQXPYOBD-GOSISDBHSA-N	402.560	3.654	10	20	HHCD	
O=C(NCCC[C@H]1CCCCO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	760707437	GSYQRWGESMYQQQ-FUHWJXTLSA-N	411.493	3.905	10	20	HHCD	
CO[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1Cl	763595623	QDCRIMZIVUVJPK-IIBYNOLFSA-N	417.937	3.925	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)N[C@H]1CCO[C@@H](c2ccccc2)C1	764806916	UACLELUDZOBCCM-DOTOQJQBSA-N	405.292	3.874	10	20	HHCD	
COc1ccc(COCCCC(=O)NCc2cccc(Br)c2O)cc1	765756167	KWRJKFBZEGLOBC-UHFFFAOYSA-N	408.292	3.777	10	20	HHCD	
CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(N3CCC(C)CC3)cc2)c1	765871929	HIMADIFCYODQBV-GOSISDBHSA-N	401.576	3.682	10	20	HHCD	
COC(=O)C[C@]1(NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CCOC1	766777434	GCPMQZNIBZNGMM-JOCHJYFZSA-N	410.474	3.620	10	20	HHCD	
Oc1ccccc1CN(Cc1cnc2ccc(Br)cn12)C[C@@H]1CCCO1	768163128	UWVYVLIKCRIDFL-SFHVURJKSA-N	416.319	3.984	10	20	HHCD	
Cc1cc2ncn(CC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2cc1C	768511779	JYDQLXWQQIBKKG-QZTJIDSGSA-N	424.520	3.722	10	20	HHCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1	768541915	AYEZGQDCVAQIKN-XLIONFOSSA-N	421.557	3.930	10	20	HHCD	
CCCN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	769331658	VXXQZIJJUNPALY-OAQYLSRUSA-N	403.567	3.745	10	20	HHCD	
COc1ccc(C)cc1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	771055479	CFDAPLVJSUVNLY-LJQANCHMSA-N	402.922	3.686	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1	772463998	YMXRKYBKNYNVJE-KKUMJFAQSA-N	407.511	3.549	10	20	HHCD	
COC(=O)COc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1	773010707	RKOKZWNNPCEYGJ-INIZCTEOSA-N	418.921	3.579	10	20	HHCD	
CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773026434	RDUVTWMBVHHAHM-DYESRHJHSA-N	413.587	3.790	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C	773741749	XFWOCEPIEFXTFB-ROUUACIJSA-N	412.530	3.712	10	20	HHCD	
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773743258	ABVGQMOEJBUKJW-KSSFIOAISA-N	418.921	3.643	10	20	HHCD	
COC(=O)c1cccc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n1	773757937	SCMPVXQZIYDRMA-UHFFFAOYSA-N	411.502	3.846	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1	774505256	AVXKFFFUCSWAQT-LLVKDONJSA-N	403.422	3.674	10	20	HHCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1O	775031420	DJAUFTXEFOQHDM-BTYIYWSLSA-N	416.474	3.724	10	20	HHCD	
COc1ccccc1-c1csc(NS(=O)(=O)c2c(OC)cccc2OC)n1	775148995	FEEFFQFROQTVIV-UHFFFAOYSA-N	406.485	3.637	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cc(I)ccc2C)c1O	775862444	IVTGZLDJAITSJL-UHFFFAOYSA-N	412.227	3.636	10	20	HHCD	
CN(CCOc1cccc(CNCc2cc(Cl)cc(F)c2O)c1)C1CCOCC1	776164327	PMFIHFHIZBOANF-UHFFFAOYSA-N	422.928	3.964	10	20	HHCD	
O=S(=O)(C[C@H]1CCCCO1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1	776743132	BYUROAQXGXZCHR-CQSZACIVSA-N	404.513	3.980	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC(N(C(=O)/C=C/c2ccc(O)c(O)c2)C2CC2)CC1	779509726	MTCJOPFLFYFGQE-WEVVVXLNSA-N	402.491	3.502	10	20	HHCD	
Cc1ccc(-c2ncccc2NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)s1	782236642	QEVDZRYCQHZVLA-UHFFFAOYSA-N	408.527	3.782	10	20	HHCD	
CCC[C@@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	788932347	LDCJDMJCXBXGBI-QFIPXVFZSA-N	407.558	3.821	10	20	HHCD	
CC1(C)Cc2cccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)c2O1	789558703	AOVUXYLWLCJWMA-UHFFFAOYSA-N	420.465	3.866	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ncc(C(C)(C)C)s1	789747890	NCWSCNDMRHYFTB-UHFFFAOYSA-N	402.564	3.882	10	20	HHCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(Br)cc(C(=O)O)c1C	790416081	OYXILTYIYNJIMN-UHFFFAOYSA-N	414.277	3.525	10	20	HHCD	
COc1ccc(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(O)c1	792796561	QZXBQZONTHUMRJ-UHFFFAOYSA-N	403.910	3.518	10	20	HHCD	
CC1=C(Br)CN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	797437938	WJEHMKJXZAWWPW-HNNXBMFYSA-N	408.340	3.668	10	20	HHCD	
COC(=O)Nc1cccc(NC(=O)NCc2cccc(Br)c2O)c1C	798027642	TYNAPFYZXKOYSI-UHFFFAOYSA-N	408.252	3.963	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(Oc2ccccc2)cn1	799549387	ORBFZQRPXVTKAB-UHFFFAOYSA-N	419.481	3.755	10	20	HHCD	
Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1	799832471	BEIYQKHQUCZKHP-UHFFFAOYSA-N	417.509	3.895	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccccc3C(N)=O)cc2Cl)C1	800050524	XDGMZCDMWCEXES-INIZCTEOSA-N	413.949	3.924	10	20	HHCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H](O)c2cccc(Br)c2)c1O	800288652	WHLPOTJWHUGKTF-AWEZNQCLSA-N	401.644	3.540	10	20	HHCD	
CN1CCN(c2ccc(CNc3ccc(NC(=O)CC(F)(F)F)cc3)cc2)CC1	800900887	LYODJASUHHMNFU-UHFFFAOYSA-N	406.452	3.941	10	20	HHCD	
Cc1nc(NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)sc1S(N)(=O)=O	801673984	YISBOGPRFHCLTD-LLVKDONJSA-N	414.984	3.601	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccnc(-c4ccc(Cl)cc4)n3)CC2)cc1	806285031	YMEUIYZEDFHNOV-UHFFFAOYSA-N	408.889	3.768	10	20	HHCD	
COCCNC(=O)c1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1	806630251	KUVDQBJTMGKXDT-UHFFFAOYSA-N	424.545	3.621	10	20	HHCD	
CN(C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1	814485147	XRTXAKXMVLINLO-GOSISDBHSA-N	401.492	3.600	10	20	HHCD	
Cc1nc(C)c(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)n2)s1	917902233	DIIGKHXRPUFADC-UHFFFAOYSA-N	423.541	3.846	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)NCc2ccccc2Cn2ccnc2)C2CC2)cc1	918062431	SUHNUFJZPXKAEM-UHFFFAOYSA-N	403.530	3.872	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(N3CCC(C)CC3)cc2)nc1	1251713295	GDIDOCNVWPJFIC-UHFFFAOYSA-N	416.591	3.961	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)CN[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1	1336532250	QBQCZNYZJGBYKT-NRFANRHFSA-N	421.463	3.627	10	20	HHCD	
C[C@H]1CCCN(C(=O)CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1	1349194684	XXSKVXKYFWPHAL-SFHVURJKSA-N	401.551	3.885	10	20	HHCD	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1OCC(C)C	7166648	IQKBIELDXHIWQN-YBEGLDIGSA-N	409.529	3.796	10	20	HHCD	
CCn1cc(Br)cc1C(=O)NCc1ccc(N2CCSCC2)cc1	110012268	YJFDVCHVKXOXEX-UHFFFAOYSA-N	408.365	3.754	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1	110356105	RTFDSRAMPIWFLC-OAHLLOKOSA-N	415.515	3.869	10	20	HHCD	
CC1CCN(c2ccc(CNc3ncnc4ccc(S(C)(=O)=O)cc34)cc2)CC1	302905809	SURSAUIQOCHYJW-UHFFFAOYSA-N	410.543	3.882	10	20	HHCD	
O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C2=S=CC=C2)o1	544009140	GOZZKXFDDBIQFW-GOSISDBHSA-N	418.522	3.801	10	20	HHCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cc2c(cc1[N+](=O)[O-])OCCO2	604434081	JIFWUGCBXCLFID-GHXNOFRVSA-N	411.439	3.699	10	20	HHCD	
COc1ccc(N(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C(C)C)cc1F	725816559	XWNYNYNCRCIDGJ-OAQYLSRUSA-N	404.457	3.788	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1	726244251	BSCOWCKTELLXSY-NQIIRXRSSA-N	414.550	3.560	10	20	HHCD	
COc1ccc(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1F	726565443	NVJDQMIREVUSGL-UHFFFAOYSA-N	408.420	3.763	10	20	HHCD	
O=[N+]([O-])c1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2nonc12	726594128	FRSPMVKVYGOOJX-UHFFFAOYSA-N	405.361	3.813	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](c3nc(C4CC4)no3)C(C)C)CC2)cc1	727941968	OGXZJKMGYAAJTG-LJQANCHMSA-N	413.522	3.621	10	20	HHCD	
Cc1cccc2c(=O)n(CCC(=O)NCc3ccc(N4CCC(C)CC4)cc3)cnc12	731016470	SLADMCUORLLSDS-UHFFFAOYSA-N	418.541	3.648	10	20	HHCD	
Cc1sc2ncn(CC(=O)NCc3ccc(N4CCC(C)CC4)cc3)c(=O)c2c1C	731016536	LKPRIRNEMMVVNH-UHFFFAOYSA-N	424.570	3.628	10	20	HHCD	
C[C@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccsc1	738838793	YNHMWUQSBTVKFC-ZDUSSCGKSA-N	419.458	3.809	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1Cc1ccccc1	741096701	BPDHBQZBRPJGDX-UHFFFAOYSA-N	411.505	3.909	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc(F)cc2nccnc12	742801286	OYNREGBAECGDKN-AWEZNQCLSA-N	416.403	3.769	10	20	HHCD	
C[C@@H]1CN(c2ccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc2)CCO1	743176354	KLIVVDKPZFNXMG-RTBURBONSA-N	424.545	3.631	10	20	HHCD	
C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCC[C@H]1C	743535012	NCGSOGRFDLMBBQ-SQNIBIBYSA-N	424.536	3.819	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(Cn2cccn2)o1	743808781	DUILVYOIZKQCKH-UHFFFAOYSA-N	404.264	3.655	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc1F	746395712	XAVWFOQVKSTJBJ-INIZCTEOSA-N	417.529	3.730	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]1c1cccc(Br)c1	747414514	BKNSGHWGEDAHRM-UXHICEINSA-N	415.331	3.706	10	20	HHCD	
COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n1	748933530	DIAJJAWUEJMWGZ-UHFFFAOYSA-N	418.496	3.699	10	20	HHCD	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1CCOCC12CCC2	749033483	PTXRLDKNZGHOQU-NTCAYCPXSA-N	422.597	3.511	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCCOc2ccccc21	749932164	SBIPNDQMNQIJJP-QFIPXVFZSA-N	409.530	3.608	10	20	HHCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)Nc3ccc(F)cc3Cl)cs2)cc1	751944209	FDNLBTLQWAXIOM-UHFFFAOYSA-N	419.865	3.904	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1O	752928605	VCUXITNZMABIFW-SFHVURJKSA-N	403.454	3.738	10	20	HHCD	
Cc1cc(C(=O)NCC2(O)CCC3(CC2)OCCO3)c(C)n1-c1ccc(Cl)cc1	754325840	FTZNAZSKPOWQJA-UHFFFAOYSA-N	418.921	3.526	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)c2nc3sccn3c2[N+](=O)[O-])cc1	754786853	UGQPUJAJYLMMEL-MRXNPFEDSA-N	401.492	3.556	10	20	HHCD	
CCNC(=O)COc1cccc(CN[C@@H](C)c2ccc(Br)cc2O)c1	756434798	ZMKGYIVJFKBJDK-ZDUSSCGKSA-N	407.308	3.520	10	20	HHCD	
CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756544427	IAKAPRCHXRSDRC-HZPDHXFCSA-N	416.497	3.993	10	20	HHCD	
C[C@H](NCCCN1C(=O)COc2ccccc21)c1cc(Br)ccc1O	756734031	UXHNVXZLAAPTAH-ZDUSSCGKSA-N	405.292	3.621	10	20	HHCD	
C[C@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1O	756777256	HHMILQQMWOYRLB-JTQLQIEISA-N	403.292	3.811	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O	758839531	JHEBXHMCAXXTFK-ILBGXUMGSA-N	423.532	3.775	10	20	HHCD	
COc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)n1	760081146	VFVAQMYMCJVMGR-CQSZACIVSA-N	406.433	3.791	10	20	HHCD	
CCN(CC)c1ccc(CN2C(=O)N[C@@H](c3ccc(OC)c(Cl)c3)C2=O)cc1	761088223	BYZXIZSBGFCWCD-IBGZPJMESA-N	401.894	3.988	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	764511609	IJFRTWLVADFTQX-SFHVURJKSA-N	419.884	3.912	10	20	HHCD	
CCN(C)c1ccc([C@@H](C)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	764817415	HFOOGAYWEVXWKY-LJQANCHMSA-N	415.603	3.955	10	20	HHCD	
COc1ccc(CCN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(OC)c1OC	765688949	ZEYYXRPVXLUAGN-INIZCTEOSA-N	418.509	3.581	10	20	HHCD	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2cccc(Br)c2O)cc1	765764037	FZJLTHHYTCQPCI-NSHDSACASA-N	423.332	3.910	10	20	HHCD	
O=C(O)c1cccc(N2C(=O)/C(=C\c3cncc(Br)c3)SC2=S)c1	767340912	JDVFHYNXANOSNA-WLRTZDKTSA-N	421.297	3.948	10	20	HHCD	
COc1ccc(Br)cc1[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768444971	ONRZOCOLSGYMJA-WMZOPIPTSA-N	420.303	3.926	10	20	HHCD	
COc1cccc(C(=O)N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)c1OC	769141883	PESXJZUKMUPOKR-UHFFFAOYSA-N	423.557	3.652	10	20	HHCD	
NC(=O)C1(c2ccccc2)CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	769446709	RSXPVLDCJBDBFQ-UHFFFAOYSA-N	422.529	3.604	10	20	HHCD	
CC(C)(C)c1nnc2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cn12	769612970	LCQRYTKJNUMMNI-SFHVURJKSA-N	408.502	3.554	10	20	HHCD	
CCCN(Cc1c(F)cccc1Cl)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769670602	CMPJAJXVZYLFEY-UHFFFAOYSA-N	414.886	3.609	10	20	HHCD	
C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1	769914165	PGHCVFXKXZUYBX-PSZVPEGOSA-N	408.907	3.544	10	20	HHCD	
Cc1ccc(-n2cc(C)cn2)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	772454113	LCBPBXBSAHOSGI-UHFFFAOYSA-N	419.529	3.990	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(N(C)C)c(C)c2)cc1	772994824	BSDIWRCYPJHXGD-GOSISDBHSA-N	403.592	3.942	10	20	HHCD	
COc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(I)c1	773013304	KCWAKVZRQPBXLG-LBPRGKRZSA-N	424.282	3.857	10	20	HHCD	
C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(N(C)C)cc1	773613448	QUELMYFLLGADFH-LIRRHRJNSA-N	400.910	3.572	10	20	HHCD	
COc1c(Br)cccc1/C=C1\NC(=S)N(Cc2ccccc2)C1=O	773915764	RASDMDVPYHQRCW-GDNBJRDFSA-N	403.301	3.716	10	20	HHCD	
CN1CCN(c2ccc(CN3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)cc2)CC1	775668979	PMGMFKGAARZUHH-UHFFFAOYSA-N	416.573	3.603	10	20	HHCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	779459609	DBQOBMLXZUAQLO-UHFFFAOYSA-N	409.769	3.652	10	20	HHCD	
CCOC(=O)c1c(NC(=O)CN2CC[C@@H]([C@@H](C)O)C2)sc(C)c1-c1ccccc1	780357986	HGPRDLBAIUKKTQ-RHSMWYFYSA-N	416.543	3.541	10	20	HHCD	
CN(CC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(OCc2ccccc2)cc1	781963566	KEEQBRVBIUZXNW-UHFFFAOYSA-N	407.495	3.724	10	20	HHCD	
Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1	784109658	XFGZGKLQLOGXRG-UHFFFAOYSA-N	417.412	3.752	10	20	HHCD	
COc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1	786763642	YABNVJBVEDIAGE-SFHVURJKSA-N	423.557	3.958	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@H]1C(=O)Nc2ccccc21	791247446	YYZWBPCJAACYEL-LJQANCHMSA-N	423.513	3.501	10	20	HHCD	
CCN1CCN(C[C@@H](C)CNCc2ccc3c(c2)CCN3Cc2ccccc2)CC1	796285344	QYLQPEBZCOHAIY-QFIPXVFZSA-N	406.618	3.613	10	20	HHCD	
CC[C@H](NCCCNS(=O)(=O)c1ccccc1Cl)c1ccc(F)cc1O	796977324	HDWKPMJLAUKASX-INIZCTEOSA-N	400.903	3.594	10	20	HHCD	
CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCc3ccc(OC)cc3O)ccc21	797623358	CMNOWINLRVUILY-UHFFFAOYSA-N	424.501	3.546	10	20	HHCD	
C[C@@H](NCCCNS(=O)(=O)c1ccccc1Cl)c1cc(Cl)ccc1O	798935376	PKJIOUIORVNMGH-GFCCVEGCSA-N	403.331	3.718	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1ccnc(OCc2ccccc2)c1)c1ccc(N(C)C)cc1	800628262	WCGVWVCKRIIGQJ-KRWDZBQOSA-N	418.497	3.543	10	20	HHCD	
CN(c1ccc(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)cc1)C1CCCCC1	805011423	JPYIBZZVEQXOHP-YADHBBJMSA-N	401.551	3.545	10	20	HHCD	
CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	806457028	BZWOKRRFNMLGIN-NRFANRHFSA-N	415.509	3.964	10	20	HHCD	
CC[C@H](c1ccccc1OC)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	806458666	ZWXPGYFPELJAET-HXUWFJFHSA-N	415.509	3.964	10	20	HHCD	
Cc1cc(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)c(C)n1-c1ccc(F)cc1	807730958	VVKIPNGJTTYTNR-GOSISDBHSA-N	423.488	3.974	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc3ccccc3c(=O)n2C)cc1	808370941	IYNCMUUOKHCYEJ-UHFFFAOYSA-N	417.431	3.809	10	20	HHCD	
C[C@@H](NCc1cc2ccccc2n(C)c1=O)c1ccc(N2CCOCC2)cc1Cl	813880446	FNBSVLVCGYNGTC-MRXNPFEDSA-N	411.933	3.879	10	20	HHCD	
CN(Cc1ccc2c(c1)CCN2Cc1ccccc1)Cc1ccccc1S(N)(=O)=O	816627439	OAKLFDPSPOKMOX-UHFFFAOYSA-N	421.566	3.529	10	20	HHCD	
O=C1NCCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1Cc1ccccc1	816641592	YIDWDBLXPBPAKW-QHCPKHFHSA-N	422.529	3.518	10	20	HHCD	
C[C@H](NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	862029147	SHUAHWNZVAELCE-ZWKOTPCHSA-N	415.965	3.874	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)Cn1c(COc2ccccc2)nc2ccccc21	917310026	FXDMQDWDKPIQRX-UHFFFAOYSA-N	401.466	3.980	10	20	HHCD	
COc1ccccc1N1C[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1=O	917361337	DCAWEMSCBWPQEJ-GOSISDBHSA-N	420.465	3.576	10	20	HHCD	
CN(C)C(=O)C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccc1	920047413	RQZIYLQICRGTLM-JOCHJYFZSA-N	408.546	3.646	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(-c4cncnc4)cc3F)CC2)cc1	1116675395	DWKXNTCYXAUKBP-UHFFFAOYSA-N	406.461	3.644	10	20	HHCD	
O=S(=O)(NCc1ccco1)c1cccc(NCc2ccc(N3CCCC3)cc2)c1	1347142231	WRQWSWRKNXVYLO-UHFFFAOYSA-N	411.527	3.970	10	20	HHCD	
O=C(CCC1CCC1)Nc1ccc(C2(NC(=O)c3cc(O)nc(O)c3)CCC2)cc1	1786260390	JLKZHPDLIMTBAM-UHFFFAOYSA-N	409.486	3.821	10	20	HHCD	
C/C=C(/C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n[nH]1	1821294881	VDLIIFLDAOTWFJ-OVKUULJCSA-N	418.881	3.746	10	20	HHCD	
CN(c1ccc(CNC(=O)c2cccc(CS(C)(=O)=O)c2)cc1)C1CCCCC1	109296033	GQESPNMEVHBJRI-UHFFFAOYSA-N	414.571	3.930	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C[C@@H]2Oc3ccccc3NC2=O)c(C)n1-c1ccccc1	196453379	VXRSUCWGXXKDJU-QFIPXVFZSA-N	418.449	3.610	10	20	HHCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC2(CCC2)c2c(F)cccc21	726284948	JRHKBFPRHQNEFH-UHFFFAOYSA-N	407.489	3.511	10	20	HHCD	
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	726564431	JPAKROQTYOTUHW-VBKZILBWSA-N	418.440	3.602	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NC[C@H](C)COCc3ccccc3)CC2)cc1	726614638	ZZWRCJUDZZZQMZ-IBGZPJMESA-N	411.546	3.816	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)c3sc(C(C)(C)C)nc3C)cc2F)CC1	730194077	YKPJTVWWXYDCTJ-UHFFFAOYSA-N	418.582	3.960	10	20	HHCD	
O=C(CSc1ccnc2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1	731566692	HURVCETWWPPWRB-UHFFFAOYSA-N	411.502	3.619	10	20	HHCD	
C[C@H]1CCC[C@@H](C)CN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	741796201	XASGQCTZKJUXCK-FCGDIQPGSA-N	405.558	3.566	10	20	HHCD	
Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	742334117	FOHVOUOUWJEYGT-CQSZACIVSA-N	414.449	3.683	10	20	HHCD	
O=C(Nc1nc2c(s1)COCC2)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743160985	BPPYMPFTNRHCFP-GFCCVEGCSA-N	424.473	3.608	10	20	HHCD	
CCc1cnc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1	743693728	QXNSJRGUCKZVCR-CYBMUJFWSA-N	410.490	3.775	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1	743905467	FSUOFTKDZTZDEB-ZDUSSCGKSA-N	416.449	3.677	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)CCc2c(C)nc(-c3cccnc3)nc2O)cc1	751345107	SOKQMDULRGNMFS-UHFFFAOYSA-N	419.529	3.648	10	20	HHCD	
CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1Cl	751532999	IYJCHWGVWRZNPE-UHFFFAOYSA-N	406.866	3.559	10	20	HHCD	
CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751931052	LLSFWRHQVKHEQL-WMLDXEAASA-N	401.532	3.653	10	20	HHCD	
Cc1nc(CC(C)C)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1	756540242	GBIHOMSJXOMBEB-UHFFFAOYSA-N	403.548	3.531	10	20	HHCD	
COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	756656890	DGWLZNVIATZXLU-UHFFFAOYSA-N	402.362	3.631	10	20	HHCD	
COc1ccc(O)c([C@H](C)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1	756831876	BFDKFLAYRFTROH-MBSDFSHPSA-N	404.510	3.979	10	20	HHCD	
COc1ccc2c(c1)[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)CC2	761665019	SGVGISQJNYEUSZ-GOTSBHOMSA-N	408.542	3.999	10	20	HHCD	
O=S1(=O)CCN(c2ccc(CN[C@@H]3CCCc4ccc(Cl)cc43)cc2)CC1	762473302	CVLFMBMDNCBQIF-OAQYLSRUSA-N	404.963	3.742	10	20	HHCD	
O=S(=O)(NCc1cccc(Br)c1O)c1cccc(C(F)(F)F)c1	766200825	OLFIAKDIUGRPEY-UHFFFAOYSA-N	410.211	3.652	10	20	HHCD	
COc1ccc2c(c1)CCCN2Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S	766339423	GLMAVOSJKSXNRE-UHFFFAOYSA-N	409.515	3.781	10	20	HHCD	
COc1cccc(CNC(=O)c2c(-n3cccc3)sc3c2CCSC3)c1O	769507343	GYHQHEJKKWDJES-UHFFFAOYSA-N	400.525	3.972	10	20	HHCD	
C[C@H](C1CC1)N(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CC1	769693618	QTPOPRQKAGSNCW-GFCCVEGCSA-N	406.529	3.658	10	20	HHCD	
COc1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1F	770069863	RAPPWWMXCDNVFG-UHFFFAOYSA-N	420.352	3.770	10	20	HHCD	
Cc1c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cnn1C1CCCC1	772944504	BSECMVRLUJFVOL-UHFFFAOYSA-N	409.534	3.502	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc4oc(C)c(C)c4c3)CC2)cc1	773246483	ZJSGMWNNJSUHHN-UHFFFAOYSA-N	421.497	3.736	10	20	HHCD	
C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N(C)C)cc1	773630601	UWKAZFMAQDFRFW-HNAYVOBHSA-N	414.937	3.962	10	20	HHCD	
COc1cc(SC)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	773639909	SAOZSVQXONDMII-UHFFFAOYSA-N	415.559	3.859	10	20	HHCD	
O=C(N[C@@H](c1ccccc1)C1CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O	774391606	ZMOMISVWUAKFCK-QFIPXVFZSA-N	404.466	3.782	10	20	HHCD	
C[C@]1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCc2ccccc21	774765931	OFVSHQVZSHPBOM-AREMUKBSSA-N	421.585	3.989	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CCN1C(=O)OC(C)(C)C	775048325	REWFGLGORPSAKG-AEFFLSMTSA-N	407.530	3.540	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@H](OC)c3ccccc3F)CC2)cc1	775770533	POIKSDIDNXAUAK-VGSWGCGISA-N	415.509	3.832	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	780050792	ONADUHRRPGCEDR-UHFFFAOYSA-N	411.836	3.605	10	20	HHCD	
COC1CCC(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CC1	780810328	XTWLTQOOWRKKIP-UUKMXZOPSA-N	419.566	3.640	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)ccc3N(C)C(C)C)c2)CC1	781267960	BLMIWDGJXCWLDH-UHFFFAOYSA-N	408.546	3.760	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(CC(C)(C)O)C[C@@H]3C)c2C)cc1F	781944174	VJVQOSTYTOLVKZ-SFHVURJKSA-N	415.553	3.501	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c1	782796680	NDCQKFYJQDWULS-LLVKDONJSA-N	422.428	3.672	10	20	HHCD	
C[C@@H]1C[C@H](CCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1	784511137	NDLKZNACLUNFER-HZPDHXFCSA-N	411.493	3.761	10	20	HHCD	
Cc1cc(C)nc(SCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1	786744413	QGHHQZNYWUEXPQ-CALCHBBNSA-N	417.550	3.860	10	20	HHCD	
Cc1cscc1CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	786984803	KHJUBPQLKPVUJL-UHFFFAOYSA-N	413.465	3.911	10	20	HHCD	
COc1ccc(F)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1OC	788516645	QGKJEYCSZLURGG-HNNXBMFYSA-N	422.884	3.596	10	20	HHCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	789074582	ZKMPPVCMTXHKCR-MOESHBJCSA-N	408.237	3.767	10	20	HHCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C[C@@]2(CCO[C@@H]2C)O1	790503759	BPSNTZYNKDDONJ-KHCICDEESA-N	415.578	3.933	10	20	HHCD	
C[C@@H]1OCC[C@]12CN(C(=O)NCc1ccc(N(C)C3CCCCC3)cc1)CCO2	792057941	QZGHTWZVXGZIKS-MBSDFSHPSA-N	401.551	3.545	10	20	HHCD	
Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	792270278	ADXBOOSNYRTOJE-UHFFFAOYSA-N	406.486	3.877	10	20	HHCD	
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1cc(Br)cc(OC)c1O	793607422	DOLMEWGQTKIXRT-DYVFJYSZSA-N	422.319	3.673	10	20	HHCD	
CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(Br)ccc2O)s1	794827069	GYICLBLLGXGKDE-SNVBAGLBSA-N	404.351	3.861	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(C(F)(F)F)cc(Cl)n1	798163218	JJNLBVFLLIGVHH-UHFFFAOYSA-N	417.790	3.660	10	20	HHCD	
CN1CCN(c2ccc(CN3CCOC[C@@H]3c3nc4ccccc4s3)cc2)CC1	800534907	QRDKXZRZQNIDPZ-OAQYLSRUSA-N	408.571	3.622	10	20	HHCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H]3c3nncn3C)cc2Cl)C1	800719123	HBXDHXBNAUICNZ-KXBFYZLASA-N	416.957	3.752	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CCN2C(=O)COC	801735407	OUCXEEFWGGHDPX-UHFFFAOYSA-N	411.502	3.762	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)C(=O)N3CCCCC[C@@H]3CC(C)C)CC2)cc1	804317053	RKPKEYRJPFWXGB-OAQYLSRUSA-N	415.578	3.598	10	20	HHCD	
O=C(CN1CCC[C@@H]1c1cccnc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	805746690	FWZFMMCOAHZDFN-OAQYLSRUSA-N	411.461	3.633	10	20	HHCD	
O=C(NCCCSc1nccs1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21	806958465	IJXVHPSMGVTTBT-KZNAEPCWSA-N	403.573	3.839	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H]1CCC[C@@H](C)CC1	806965422	HXXKTRNHNYYMRX-CJNGLKHVSA-N	411.340	3.588	10	20	HHCD	
CCCS(=O)(=O)Nc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1	807838862	SOBLKHLELBIDTQ-UHFFFAOYSA-N	417.314	3.781	10	20	HHCD	
C[C@H](NCc1ccncc1OCCCN(C)C)c1ccc(Br)cc1O	808719043	CKUUQOLAZBFICG-AWEZNQCLSA-N	408.340	3.731	10	20	HHCD	
COc1cccc2c(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)n[nH]c12	809169298	OYGJKWLQQZLDIE-ZDUSSCGKSA-N	416.428	3.572	10	20	HHCD	
CSc1ccc(-c2nsc(NC(=O)NCCc3ccc(O)c(O)c3)n2)cc1	809932101	RIIWYLYRUROEMY-UHFFFAOYSA-N	402.501	3.702	10	20	HHCD	
COC(=O)c1c(F)ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1F	810334857	KUWHSUXBVYVCMO-UHFFFAOYSA-N	421.469	3.626	10	20	HHCD	
C[C@H](NCc1cccc(N2CCOCC2)c1)c1cc(Br)c(F)cc1O	815639054	MMMROULGJIRNTQ-ZDUSSCGKSA-N	409.299	3.981	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1C	913133941	ZIBMKQQXKZKKIZ-UHFFFAOYSA-N	411.527	3.905	10	20	HHCD	
CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1	917847354	HCFXIFSLQOOMOG-UHFFFAOYSA-N	423.466	3.591	10	20	HHCD	
COC(=O)c1cc2cc(NC(=O)N3CCCN(c4ccc(OC)cc4)CC3)ccc2o1	918034988	FZWFOWJFUKHYEB-UHFFFAOYSA-N	423.469	3.972	10	20	HHCD	
CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1OC	918208772	RNVUIPLIHCHIGU-FQEVSTJZSA-N	415.509	3.746	10	20	HHCD	
CC(C)OCc1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	920783511	OZOOJDJZRPXOFO-HXUWFJFHSA-N	424.545	3.635	10	20	HHCD	
C[C@H](NC(=O)c1ccc(CN2CCCCC2=O)cc1)c1ccc(N2CCOCC2)cc1	920882578	VMLBIAALMSUABU-IBGZPJMESA-N	421.541	3.527	10	20	HHCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1cccc(NC(=O)CCN2CCOCC2)c1	1320244165	BMGSJNBMCJJWPU-WIYYLYMNSA-N	423.557	3.700	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CCN(c3nccn3C)CC2)c1	1321518437	UPTDDEBVDIEELE-UHFFFAOYSA-N	411.937	3.880	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C(F)(F)F)nc2)cc1	97043454	HFGCSVOLJZMMBK-GOSISDBHSA-N	407.436	3.988	10	20	HHCD	
Cc1nn(C)c2sc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc12	105474144	RXHRMEHJHBJWSR-GOSISDBHSA-N	412.559	3.831	10	20	HHCD	
COc1ccc(N2CCCN(C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1	226821393	WZQRWECBTLQWEA-RCZVLFRGSA-N	410.558	3.662	10	20	HHCD	
COc1ccc(N2CCC(Nc3ncc(Br)cc3[N+](=O)[O-])CC2)cc1	301702235	UCMUCYCWEASUGR-UHFFFAOYSA-N	407.268	3.842	10	20	HHCD	
COc1cc(N(C)Cc2cccc(C(=O)NCc3ccco3)c2)cc(OC)c1OC	303917812	OAYNWHQLWGPXNV-UHFFFAOYSA-N	410.470	3.872	10	20	HHCD	
Cc1c(CNC(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)F)n(C)c2ccccc12	472245317	YXFJGLPNSDEMNJ-YLJYHZDGSA-N	401.457	3.523	10	20	HHCD	
COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(N4CCNC4=O)c3C)ccc21	487695030	MIXCCIBXWKHEOM-UHFFFAOYSA-N	420.513	3.995	10	20	HHCD	
COCCOc1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1F	726698233	YNPPIJDVBSAQFI-UHFFFAOYSA-N	417.481	3.650	10	20	HHCD	
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1	727246863	XLZDFLHBSIZADH-UHFFFAOYSA-N	424.450	3.984	10	20	HHCD	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	731038812	NJMXMAHNEKSRSD-UHFFFAOYSA-N	403.504	3.618	10	20	HHCD	
COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1	734809299	VUSPAFVPWPNJJD-FQEVSTJZSA-N	413.518	3.643	10	20	HHCD	
O=C(NCCOc1ccccc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743504925	MMNGCPVSXJAMHU-HNNXBMFYSA-N	423.435	3.774	10	20	HHCD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749405817	JMABUSLNLMADBU-HCLVMJGWSA-N	420.569	3.880	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(=O)oc2ccccc12	750609754	LBMZXPNEOAWMGV-GJZGRUSLSA-N	424.472	3.784	10	20	HHCD	
CCOCCC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	752205997	NHGZRWBBDPVEAY-UHFFFAOYSA-N	411.493	3.763	10	20	HHCD	
CC1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCOCC1	753267751	JUQZUHKOFJPMDC-NTCAYCPXSA-N	424.613	3.662	10	20	HHCD	
COc1ccc(N2CCN(C(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)CC2)cc1F	753932733	UJLMXIJLNWRNGN-FCHUYYIVSA-N	413.493	3.586	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H](Cc3cc(Cl)cc(Cl)c3)C(=O)O)cc2)CC1	756379690	ONGJEXIYJQHTMO-FQEVSTJZSA-N	422.356	3.531	10	20	HHCD	
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NCCCSc1nccs1	759601116	HFCURJDAABZCHM-UHFFFAOYSA-N	406.577	3.559	10	20	HHCD	
COc1cccc(C=C2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)c1	760939803	MOULNFVRKYZOSL-UHFFFAOYSA-N	407.558	3.899	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1I	768208435	PKOHSHKLMLDHTK-UHFFFAOYSA-N	422.310	3.760	10	20	HHCD	
CCc1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cnn1-c1ccccc1C	769730330	YWZRVJJCYSFRSP-UHFFFAOYSA-N	404.514	3.714	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N(C1CCCC1)C1CC1	769762837	NPGMJPVIZMPAFN-UHFFFAOYSA-N	406.529	3.802	10	20	HHCD	
CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)c2)CC1	770286436	LVCNIONEPXKPLQ-UHFFFAOYSA-N	410.543	3.515	10	20	HHCD	
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(Br)c[nH]1	771054574	ABSRZJVSYIAJJM-AWEZNQCLSA-N	412.715	3.531	10	20	HHCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(c3cnn(C)c3)CC2)cc1	772150721	QFAUVRVTTKALDZ-UHFFFAOYSA-N	417.517	3.864	10	20	HHCD	
CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773013097	IEPXPZNUBFECQQ-UTKZUKDTSA-N	409.530	3.633	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1	774923336	JVTPJTWFPATLCA-UONOGXRCSA-N	407.436	3.826	10	20	HHCD	
Cc1cc(Br)cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1O	775645899	BBEPETXUEHSPLZ-UHFFFAOYSA-N	405.336	3.932	10	20	HHCD	
C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(N2CCOCC2)cc1Cl	777041111	FSGVBXYICLJLED-HNNXBMFYSA-N	408.951	3.894	10	20	HHCD	
CC(C)Oc1cc(F)ccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	779130215	VUBOFSHDYYWJMF-UHFFFAOYSA-N	405.445	3.910	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	779390470	GWLRHKIHVLRFFI-KRWDZBQOSA-N	406.571	3.976	10	20	HHCD	
O=C(C(=O)N(Cc1ccccc1O)C1CCCCC1)N1CCc2cc(F)c(F)cc21	782896137	NIWFISIHIHQEAC-UHFFFAOYSA-N	414.452	3.921	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nn(C3CCCCC3)cc2C)cc1	784664503	GXQZHKJHAYZKNY-UHFFFAOYSA-N	411.550	3.798	10	20	HHCD	
Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	784720544	QWVCBTSKSDBZIY-UHFFFAOYSA-N	418.522	3.750	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1(c2ccccc2)CCC1	785833514	BNGLQSZHPMDGKX-UHFFFAOYSA-N	419.569	3.873	10	20	HHCD	
C[C@H](NCCCN1CCN(c2ccncc2)CC1)c1cccc(C(F)(F)F)c1O	788585118	SMQFBZATYHPEPA-INIZCTEOSA-N	408.468	3.669	10	20	HHCD	
CCC[C@@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3cc(OC)ccc3O)sc2C1	789465918	UCYOIKIHSRWYRV-QWHCGFSZSA-N	417.531	3.578	10	20	HHCD	
CS(=O)(=O)CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1	789916155	GJFWJNUVTDKEPZ-JOCHJYFZSA-N	414.571	3.512	10	20	HHCD	
CCCCn1ncc(NC(=O)C(=O)N(CCC)Cc2ccccc2O)c1C(C)C	792280616	RMEMXPMENNYHQH-UHFFFAOYSA-N	400.523	3.890	10	20	HHCD	
CC1(C)[C@H](NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@H]1Oc1ccccc1	793522981	OOMWZFKQGGWZRE-UEVCKROQSA-N	407.558	3.724	10	20	HHCD	
CC(=O)NCc1ccc(-c2nc(NS(=O)(=O)c3ccsc3)sc2C)s1	795549061	PEHRDIHNYTUWAM-UHFFFAOYSA-N	413.571	3.678	10	20	HHCD	
C[C@H]1C[C@H](N2CCOCC2)CN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	796376453	MVISXSLRLVXKRL-AVRDEDQJSA-N	407.518	3.836	10	20	HHCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1	797624451	FOKZTXXNXXZBCH-CJNGLKHVSA-N	404.438	3.547	10	20	HHCD	
CC(=O)Nc1cccc(-n2c(Sc3ncc([N+](=O)[O-])s3)nnc2C2CC2)c1	799929361	UOVRQIBUMHMMRJ-UHFFFAOYSA-N	402.461	3.619	10	20	HHCD	
CCOc1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1	800026644	DLBCWRSLZJAFCR-UHFFFAOYSA-N	418.496	3.781	10	20	HHCD	
O=C(NCc1cnn(Cc2ccccc2)c1)NCc1cc(Cl)cc(Cl)c1O	804963428	OTBQNYSSGPZTBA-UHFFFAOYSA-N	405.285	3.943	10	20	HHCD	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)NCCCSc2nccs2)C2CC2)o1	806279694	WXYJFUBERXJLSS-CJNGLKHVSA-N	419.572	3.649	10	20	HHCD	
COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3cc(Cl)cc(C)c3O)C2=O)c1	808706561	MUNXPFCXAOMLCK-YJYMSZOUSA-N	404.894	3.827	10	20	HHCD	
COC[C@@]1(CNCc2cc(C)cc(Br)c2O)OCCc2ccccc21	810157828	DIGGOEKBAITZQV-HXUWFJFHSA-N	406.320	3.667	10	20	HHCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc([C@H]2CCOC2)cc1	815587850	VQKAGQCBPNCAFO-FQEVSTJZSA-N	409.530	3.632	10	20	HHCD	
O=[N+]([O-])c1cc(CN2CCc3c(nnn3-c3ccccc3)C2)ccc1N1CCCCC1	816618068	OIZXUTWPPAGELU-UHFFFAOYSA-N	418.501	3.724	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN(C)[C@H](C)c3cccs3)cc2F)C[C@@H](C)O1	917021548	ZDKVDHAYKMSHGI-BRWVUGGUSA-N	419.566	3.810	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3cccc(OC[C@H]4CCCO4)c3)CC2)cc1	917821357	AQXHRJUOEHKXCD-HSZRJFAPSA-N	410.514	3.606	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3c(F)cccc3Cl)CC2)cc1	1322576033	UHZWBBYGPLTECU-UHFFFAOYSA-N	405.901	3.998	10	20	HHCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(F)CCCCC1)C2	1800718409	XFJLDZZXBYQXLD-QDMKHBRRSA-N	424.900	3.675	10	20	HHCD	
O=C(O)CCCCCN1C(=O)/C(=C\c2cnn(-c3ccccc3)c2)SC1=S	8199188	NWXDSEFJCXHJCU-LFIBNONCSA-N	401.513	3.719	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2cnn(C)c2)c(C)n1-c1ccc(Br)cc1	12850239	ZOBSGWQYZZJUPT-UHFFFAOYSA-N	416.275	3.630	10	20	HHCD	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C(=O)c3c(C)nn(C)c3C)c2C)cc1C	26458659	CPJJCJOFXGRGPT-UHFFFAOYSA-N	421.497	3.670	10	20	HHCD	
C[C@@H](NC(=O)Nc1ccc(-c2csnn2)cc1)c1ccc(N2CCOCC2)cc1	65467210	PZIHYRHTFZRATJ-OAHLLOKOSA-N	409.515	3.924	10	20	HHCD	
CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)CC1	216476935	QLUOIIJYIMKTJF-IBGZPJMESA-N	424.541	3.757	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)NCCc3cccc4cccnc34)CC2)cc1	726611885	VDWIBHOVIXESCD-UHFFFAOYSA-N	404.514	3.754	10	20	HHCD	
COCc1cccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1	727242558	BKQQOFMQCWXEQJ-UHFFFAOYSA-N	417.512	3.716	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CN3)c(C)n1-c1cccc(F)c1	727524892	SPPZNALLZQVATL-UHFFFAOYSA-N	421.428	3.637	10	20	HHCD	
Cc1cc(C(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1-c1ccccc1	727977639	SITZKIGBMJFTRR-UHFFFAOYSA-N	412.511	3.606	10	20	HHCD	
COc1cccc(CNC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1O	729858968	JOFTWBJUQVOPRC-QHCPKHFHSA-N	420.509	3.554	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cc2)CC1	731014600	BRNRVSYFIOOKOX-UHFFFAOYSA-N	411.458	3.532	10	20	HHCD	
COc1cc(F)c(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1OC	731038052	CRCAVEGKZSNLJJ-UHFFFAOYSA-N	422.522	3.558	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1	731282675	VDXHGPCTYFRPAU-UHFFFAOYSA-N	405.539	3.961	10	20	HHCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ccc(C(=O)NC)cc1	731321023	CWKQMUNTIWUMHO-UHFFFAOYSA-N	409.511	3.993	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1F	731345903	LIROXHIVYZBHNJ-NRFANRHFSA-N	413.493	3.872	10	20	HHCD	
CCc1noc(CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)n1	731793406	PAXKLQWYOBMIGI-YRNVUSSQSA-N	410.318	3.796	10	20	HHCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1	731974347	JXURYANZHYFWJG-UHFFFAOYSA-N	406.404	3.675	10	20	HHCD	
COCC(=O)Nc1ccc(OC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	733271536	ZMKXQKIAFDVURJ-UHFFFAOYSA-N	408.454	3.907	10	20	HHCD	
CC1(C)Cc2cccc(/C=C3\SC(=S)N(c4ccc(C(N)=O)cc4)C3=O)c2O1	738554966	RDPVQCOYYYJYMI-YBEGLDIGSA-N	410.520	3.905	10	20	HHCD	
Cc1cc(CC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1	740802121	KISVKPRRFVNEJE-ICSRJNTNSA-N	422.978	3.762	10	20	HHCD	
CN(c1ccc(CNC(=O)c2ccc(N3CCOCC3)nc2)cc1)C1CCCCC1	742416571	CXFQMXUKUUMBPN-UHFFFAOYSA-N	408.546	3.617	10	20	HHCD	
CN(C)[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	742800037	FHBAYEXGTATCJW-XLIONFOSSA-N	403.473	3.676	10	20	HHCD	
COC(=O)c1ccc(OCCN2CCCN(c3ccc(OC)cc3)CC2)c(Cl)c1	743842931	NHOHADOTZBIFEI-UHFFFAOYSA-N	418.921	3.726	10	20	HHCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@@H]1CCc2c(O)cccc21	745865974	XDFOZFDMHACYMZ-IFXJQAMLSA-N	417.456	3.949	10	20	HHCD	
COc1ccc(C(=O)CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1	750875563	VIIDSIAVGNIOOK-QHCPKHFHSA-N	424.541	3.932	10	20	HHCD	
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	751384204	AJGQHWYNJJZXJD-SFHVURJKSA-N	405.564	3.603	10	20	HHCD	
COC(=O)[C@]1(F)CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)C1	751936052	DBEDALNKOAHBMD-QHCPKHFHSA-N	411.429	3.561	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(COC2CCOCC2)cc1	752208194	ZCENLUGXCFTJED-UHFFFAOYSA-N	411.546	3.790	10	20	HHCD	
C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2c(cc1O)CCCC2	756475534	JPJRCSQVNOMFOD-KRWDZBQOSA-N	414.571	3.906	10	20	HHCD	
C[C@@H]1C[C@@H](NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c2c(O)ccc(F)c21	756476118	LYZLZKLAWGKKST-RDTXWAMCSA-N	404.507	3.654	10	20	HHCD	
C[C@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Br)cc(F)c1O	756602793	FNYNCORYJOCQLS-XOBRGWDASA-N	423.326	3.581	10	20	HHCD	
Cc1noc(C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)c2ccccc2)n1	758838240	GPTXBRGBTVAGSA-NRFANRHFSA-N	403.486	3.537	10	20	HHCD	
COc1cc(N2CCN(C(=O)CCc3cc(C)cc(C)c3)CC2)cc(OC)c1OC	759237637	LHBHNSGJRBWBDM-UHFFFAOYSA-N	412.530	3.611	10	20	HHCD	
Cn1ccnc1[C@@H](NC(=O)NCCCSc1nccs1)c1cccc(F)c1	759551931	IUPXWZIVKUHWMU-HNNXBMFYSA-N	405.524	3.587	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCCN(CCCc2ccccc2)CC1	759591908	UGZIRWSALVYCHL-UHFFFAOYSA-N	418.632	3.975	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3ccn([C@H](C)c4ccccc4)n3)CC2)cc1	760081150	VGVUVSFNQDPJKZ-GOSISDBHSA-N	405.502	3.855	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2OC(F)F)cc1	760092872	YOHQCAMOTFFRSC-UHFFFAOYSA-N	409.408	3.528	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H](c1ccco1)N1CCCCC1	760928278	MFZCKBSDYQCYGU-QGZVFWFLSA-N	417.893	3.630	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc([C@@H]4CCOC4)c3)cc2F)C[C@@H](C)O1	761358473	HJSKNTCTQPQUOM-CBGDNZLLSA-N	412.505	3.873	10	20	HHCD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1cccc(Br)c1O	765770947	UAZAVJLAXYZGEG-UHFFFAOYSA-N	403.280	3.719	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC(=O)c1ccc2c(c1)OCCO2	767875739	MBJGKTBANQWAED-UHFFFAOYSA-N	410.514	3.926	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cc1	767876903	AIBAACDFMMTPJA-UHFFFAOYSA-N	408.506	3.971	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Br)o1	768915874	NUSXJAQWIMCETK-CYBMUJFWSA-N	413.699	3.796	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)c1	770258845	BPPUNULFJAIGFS-CYBMUJFWSA-N	416.449	3.677	10	20	HHCD	
O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccccc2O)CC1	770509127	IJGCFZHQYOVEOH-UHFFFAOYSA-N	402.494	3.929	10	20	HHCD	
Cc1cc(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)c(C)n1-c1ccccn1	772987387	FDLASVJLAVLTDM-UHFFFAOYSA-N	418.419	3.798	10	20	HHCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1	773697965	XMLCSVZLWSHQTG-MRXNPFEDSA-N	406.452	3.850	10	20	HHCD	
O=C(NC[C@H]1COC2(CCCCC2)O1)N(Cc1ccco1)Cc1ccccc1O	776066430	ZRFCFGIJEWEYDZ-IBGZPJMESA-N	400.475	3.773	10	20	HHCD	
Cn1cc([C@H](NC(=O)NCCCSc2nccs2)c2ccc(F)cc2)cn1	776161565	PAPQRCICLJORJP-MRXNPFEDSA-N	405.524	3.587	10	20	HHCD	
CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(c3ccsc3)CC2)c1	776775699	KLYFPEIMBMVSGY-UHFFFAOYSA-N	414.571	3.868	10	20	HHCD	
C[C@H](N[C@@H]1CCn2ccnc2C1)c1cc(Br)cc(Br)c1O	779064911	JNXDHIGWUONXBZ-GXSJLCMTSA-N	415.129	3.779	10	20	HHCD	
COC(=O)[C@H](NCc1cc(Br)cc(OC)c1O)c1ccc(F)c(C)c1	779179132	TWRFPKBOGAFDJN-MRXNPFEDSA-N	412.255	3.615	10	20	HHCD	
Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	781458356	CBBGIEXMSSVLHU-UHFFFAOYSA-N	419.529	3.711	10	20	HHCD	
CCn1ncc2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc21	784109504	UQHSDZDOZKPGQP-UHFFFAOYSA-N	405.502	3.800	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	789863601	YBRPTYCEJFLYAG-IBGZPJMESA-N	413.949	3.803	10	20	HHCD	
COc1ccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c(O)c1	794378356	DWWSGGFHKJWQEA-UHFFFAOYSA-N	405.376	3.844	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2ccc(Br)cc2n1	795751135	BWOBDJHDZNQNMO-UHFFFAOYSA-N	401.308	3.825	10	20	HHCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)c(Br)c(F)c1	797639673	CVTQFQNNOYLNII-QMMMGPOBSA-N	401.207	3.891	10	20	HHCD	
COC[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C[C@@H](C)O1	799995217	UPXNQPYJJPKIIW-NUJGCVRESA-N	409.958	3.522	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2ccsc2)nn1C	802610891	WZZTWULCXTYPPH-UHFFFAOYSA-N	412.515	3.622	10	20	HHCD	
CCN(Cc1ccccc1C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	805026721	YCOATKQHGQIUFS-UHFFFAOYSA-N	407.558	3.896	10	20	HHCD	
Cc1cc(C(=O)O[C@H](C)C(=O)NCCc2ccncc2)c(C)n1-c1ccc(F)cc1	805981135	MDJKWJSEZBXYBJ-QGZVFWFLSA-N	409.461	3.532	10	20	HHCD	
O=C(NCCCSc1nccs1)C(=O)NCC1(c2cccs2)CCCCC1	806282348	VPOHOOLOQHKPNQ-UHFFFAOYSA-N	423.629	3.821	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(C(F)(F)F)cc1C	807754209	BSKGPHWTUUOLQG-UHFFFAOYSA-N	421.463	3.745	10	20	HHCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1	807833814	GBFTUNCZYOGLHG-OAHLLOKOSA-N	421.324	3.797	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(-c4cc(C(C)C)oc4C)n3)CC2)cc1	809465265	VKGGTRBNTMXRKX-UHFFFAOYSA-N	424.501	3.661	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c(F)cc(C(F)(F)F)cc3F)CC2)cc1	809941222	YNMYRIWTQAFQIR-UHFFFAOYSA-N	400.347	3.955	10	20	HHCD	
CC[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc(C(F)(F)F)cc1O	810215693	JXYDEVBCJNKFMA-LJQANCHMSA-N	423.479	3.943	10	20	HHCD	
CC[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1O	810217031	VEEVTOKFSHDUFV-KRWDZBQOSA-N	417.449	3.934	10	20	HHCD	
Cc1cc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c(C)n1-c1ccccn1	812381717	AXDWASXWYBRFAT-GUYCJALGSA-N	415.540	3.588	10	20	HHCD	
CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)NCc3ccccc3O)cc2C1	813022216	SFSMMIVKLBXGQO-UHFFFAOYSA-N	413.474	3.843	10	20	HHCD	
Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1O	817658178	WYVFMMTYNCHWIV-IRXDYDNUSA-N	418.534	3.906	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1	916677640	BKEKRZGCFYQQDM-UHFFFAOYSA-N	408.502	3.504	10	20	HHCD	
Cc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1-n1cnnn1	916677683	FCCJZPDHQQGHPU-UHFFFAOYSA-N	404.430	3.504	10	20	HHCD	
C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCc2sccc2C1	918071362	XDMKDOJMDNVXLL-QGZVFWFLSA-N	412.603	3.935	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)NCC(C)(C)N3CCCCC3)cc2F)C[C@H](C)O1	918184343	CJQMHRGOCTVFCN-ROUUACIJSA-N	420.573	3.503	10	20	HHCD	
O=C(Nc1cccc(Cl)c1F)C(=O)N(Cc1ccco1)Cc1ccccc1O	918293972	KNWLLJPJOIWIKK-UHFFFAOYSA-N	402.809	3.945	10	20	HHCD	
C/C(=C\C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1	919543587	AKFQBIYXJGLVKD-CMPYXILNSA-N	403.434	3.689	10	20	HHCD	
C[C@H]1Sc2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2NC1=O	920494544	OTQQYLOREBWHMI-PBHICJAKSA-N	412.511	3.646	10	20	HHCD	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cnn1-c1ccncc1	1323115993	UYMLUKPWWPNDJW-UHFFFAOYSA-N	417.435	3.846	10	20	HHCD	
O=C(NCCCNCc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1	1323472123	MODFDIYPSNHXKT-UHFFFAOYSA-N	416.363	3.959	10	20	HHCD	
CN(C)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1	7908361	FWNSHJHUOPLYAW-UHFFFAOYSA-N	403.729	3.647	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1	726102341	IBIVDWGFCTUBHH-IBGZPJMESA-N	418.582	3.979	10	20	HHCD	
C[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)n1cnc2ccccc21	726625593	KIRCIBWJEKEKMZ-OAHLLOKOSA-N	414.456	3.984	10	20	HHCD	
COc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1F	726629677	PSIJTVRRMOSHGL-CHHVJCJISA-N	406.416	3.854	10	20	HHCD	
CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)NCc3ccccc3O)cc2)cc1	726701020	UQHUBNZJTPTJMG-UHFFFAOYSA-N	412.467	3.910	10	20	HHCD	
COc1cccc(S(=O)(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c1	727245749	CVSFIZBOVFSVPT-UHFFFAOYSA-N	406.485	3.637	10	20	HHCD	
COc1cc(/C=C2/SC(=S)N(CC(C)(C)CN(C)C)C2=O)c2c(c1)C[C@@H](C)O2	727861247	QFVXHODKLKHVDW-VGSSETLESA-N	420.600	3.808	10	20	HHCD	
COC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1	728470311	IWVGSQKMNHDMLC-UHFFFAOYSA-N	408.502	3.649	10	20	HHCD	
CC(C)(C)CCCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	728817702	DGTPMWKNMWKPHH-UHFFFAOYSA-N	413.541	3.775	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)c1	729047283	CYDANNIUYNCTPE-CQSZACIVSA-N	407.511	3.551	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CCc4ccc(C)cc43)CC2)cc1	730113603	UNMSENDPLSJXOD-XMMPIXPASA-N	422.573	3.502	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](C)Oc3ccccc3Cl)cc2F)CC1	730192572	GZPGEXDRCYFGPL-INIZCTEOSA-N	419.928	3.705	10	20	HHCD	
O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1	731051725	PLGZBNGFYSZBFR-UHFFFAOYSA-N	405.526	3.799	10	20	HHCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@H](c3ccccc3)c3ccc(F)cc3)nc12	731846564	JIHIGSFYJHPEQY-OAQYLSRUSA-N	420.444	3.630	10	20	HHCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)NCc1ccc(N2CCCC2=O)cc1	732204720	QLMZAJYCQIXEFN-UHFFFAOYSA-N	421.541	3.580	10	20	HHCD	
Cc1ccccc1COc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1	732704908	JNGRFJFYEFVBGZ-UHFFFAOYSA-N	417.509	3.895	10	20	HHCD	
COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(CCCc3ccccc3)cc2)c1	734074878	XJMANTXZVQWKOZ-UHFFFAOYSA-N	418.493	3.831	10	20	HHCD	
CC(C)c1nc(C(=O)NCCCSc2nccs2)nn1-c1cccc(F)c1	735470787	FULRQKFTMBDREA-UHFFFAOYSA-N	405.524	3.899	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Br)cn1	735924925	ZZGSYUDVLMOLJO-UHFFFAOYSA-N	424.364	3.655	10	20	HHCD	
Cc1cnc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1	742122541	WIWROUQOHAVZIH-JYRVWZFOSA-N	423.610	3.811	10	20	HHCD	
Cc1cc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc(C)c1F	742278688	QQFKQERTEYFFES-IYBDPMFKSA-N	424.513	3.674	10	20	HHCD	
Cc1cc(C)nc(SCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1	742800081	FOEGGRKXLIBQBQ-HNNXBMFYSA-N	422.501	3.572	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccc(Br)cc3O)CC2)cc1	744326225	FCLDAWXRAKLANP-UHFFFAOYSA-N	405.292	3.516	10	20	HHCD	
COc1sc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)cc1Br	746521472	AXFGYVWLEDRSRZ-YHYXMXQVSA-N	417.331	3.909	10	20	HHCD	
Cc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(=O)oc2ccccc12	750609755	LBMZXPNEOAWMGV-HUUCEWRRSA-N	424.472	3.784	10	20	HHCD	
CC(=O)Nc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc1F	751405298	KYCGVONUDBUZJH-FQEVSTJZSA-N	413.493	3.672	10	20	HHCD	
COc1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1	751932643	VXKVQKPMFLGBSO-ZDUSSCGKSA-N	411.483	3.509	10	20	HHCD	
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](c3ccc(F)cc3)c3ccccn3)cc2)C1	753627401	WYXDATPWDWHLMY-YKSBVNFPSA-N	418.516	3.802	10	20	HHCD	
COc1ccc(N2CCN(c3nn4cc(-c5ccccc5)nc4s3)CC2)cc1F	754026122	KXTLKJMQAVTLMI-UHFFFAOYSA-N	409.490	3.932	10	20	HHCD	
COc1ccc(N2CCN(CCCNCc3ccc(OC(F)F)c(F)c3)CC2)cc1	754822400	PTSHUKPPVGHTJI-UHFFFAOYSA-N	423.479	3.738	10	20	HHCD	
C[C@H](NCCCn1cccn1)c1cc(Br)cc(Br)c1O	756397622	QVJLRHMASNNTNK-JTQLQIEISA-N	403.118	3.855	10	20	HHCD	
Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(N3CCSCC3)cc2)cc1	756432375	RHCNIJOYMXJZMZ-SFHVURJKSA-N	404.601	3.500	10	20	HHCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)c1	756529779	VREXWBHCXSEEBS-CJNGLKHVSA-N	404.894	3.770	10	20	HHCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2ccc(N3CCCC3)nc2)C1	758483009	JZLHNWYAMGVCHZ-HXUWFJFHSA-N	400.954	3.795	10	20	HHCD	
COc1ccc(CN(CCO)C(=O)c2sccc2-n2c(C)ccc2C)c(OC)c1	759720125	VNOAAYOQAINMPN-UHFFFAOYSA-N	414.527	3.808	10	20	HHCD	
COc1cc(N2CCN(C(=O)Nc3ccc(F)c(C)c3)CC2)cc(OC)c1OC	759969624	MSJQTGJOKGPRON-UHFFFAOYSA-N	403.454	3.514	10	20	HHCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1c[nH]c2cc(F)ccc12	760997435	JYUYIDKKCHRMFY-UHFFFAOYSA-N	401.825	3.673	10	20	HHCD	
C[C@H](C(=O)NCCc1ccc(O)c(O)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1	762264483	ZUXXZULLIKUUKK-YWZLYKJASA-N	414.502	3.659	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)cc1	763865254	QNEDHVAYTRHTON-UHFFFAOYSA-N	410.495	3.537	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	764643737	KEKUEBMASIXLOF-IBGZPJMESA-N	409.313	3.522	10	20	HHCD	
CCN(CC)C(=O)c1ccc(C(=O)NCc2cccc(Br)c2O)cc1	765730453	BKODUWSUGJOEGI-UHFFFAOYSA-N	405.292	3.567	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)[C@H]1CCCCN1Cc1ccccc1	765734938	ABLHELRNBNJBRP-GOSISDBHSA-N	403.320	3.826	10	20	HHCD	
COc1ccc2c(c1)CCCCN2CCCS(=O)(=O)c1ccc(NC(C)=O)cc1	766270774	SWUVXIUREIYQKJ-UHFFFAOYSA-N	416.543	3.660	10	20	HHCD	
O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1ccc(O)c(O)c1	768412873	STKJXAVIKMRZFX-UHFFFAOYSA-N	404.451	3.716	10	20	HHCD	
COc1ccc(-c2noc([C@@H](C)N[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1	768500627	UBTDGWVEDAXOJU-DLBZAZTESA-N	408.502	3.994	10	20	HHCD	
Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)oc2c1C(=O)CCC2	768912600	PGCTYVSOHVWIPR-MRXNPFEDSA-N	416.905	3.860	10	20	HHCD	
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1c(F)c(F)cc(F)c1F	771056614	FLSILRNBALACRS-GFCCVEGCSA-N	416.802	3.996	10	20	HHCD	
CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	773098653	NZWUNPXXGHOUMW-PKOBYXMFSA-N	420.550	3.565	10	20	HHCD	
C[C@H](NC(=O)c1cn(-c2ccccc2Br)nn1)c1ccc(N(C)C)cc1	773995263	SIQIZHCPBHXNDO-ZDUSSCGKSA-N	414.307	3.587	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Cn1cc(C=O)c2ccccc21	774043626	LBBZECDBRJTCHK-UHFFFAOYSA-N	415.287	3.971	10	20	HHCD	
COc1ccc(O)c(CN2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1	775653654	LRRRJNZINOCIES-KRWDZBQOSA-N	408.502	3.638	10	20	HHCD	
CC[C@@H](C(=O)N1CCC(NCc2cc(OC)c(OC)cc2O)CC1)c1ccccc1	776153835	GCVZOTTWOAKKQA-HXUWFJFHSA-N	412.530	3.684	10	20	HHCD	
COc1cc(O)c(CNC(C)(C)COc2ncccc2C(F)(F)F)cc1OC	776252533	DZMDODXDANPXMV-UHFFFAOYSA-N	400.397	3.770	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3ccnn3Cc3ccc(F)cc3)CC2)cc1	779455714	BPPULGWEFLYMTM-UHFFFAOYSA-N	423.492	3.870	10	20	HHCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C	784026666	CXVYEMJXZFNLBE-UHFFFAOYSA-N	420.513	3.880	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C(F)(F)F)c(F)c1	784424111	YRSFDKCNEJNZAJ-UHFFFAOYSA-N	414.374	3.875	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1	789317462	MZJHECNISYZASR-QFIPXVFZSA-N	422.573	3.581	10	20	HHCD	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)O[C@H]1CCc3cccnc31)c2[N+](=O)[O-]	789676186	BYOCNQSXMUHJPV-KRWDZBQOSA-N	414.373	3.610	10	20	HHCD	
C[C@H](NC(=O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)c1ccc(N(C)C)cc1	789743960	LZNQMJNJFLHRHI-DNUAJFIVSA-N	412.559	3.929	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)/C=C/c1ccc2c(c1)OCO2	791251059	XQBBEJKGERQLFU-XBXARRHUSA-N	424.497	3.817	10	20	HHCD	
CC[C@@H](CO)NC(=O)Cc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cc1	792852314	BVUBIAIKNLVFMU-KRWDZBQOSA-N	423.479	3.813	10	20	HHCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1	793044679	HWZQONQAIQRQGI-ILWGZMRPSA-N	409.530	3.501	10	20	HHCD	
Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c(O)ccc(Cl)c1F	793612145	GPSFVTZGFGROHI-HNNXBMFYSA-N	424.904	3.712	10	20	HHCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1	804542381	XXZSKURNPAOAJS-FYYLOGMGSA-N	407.558	3.629	10	20	HHCD	
CC[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H](C)S1(=O)=O	805772229	HGBBMKDMURMBEB-OXJNMPFZSA-N	414.531	3.938	10	20	HHCD	
Cc1noc(C)c1C(C)(C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	806457216	GVJOUPZZRSTCAL-ZIAGYGMSSA-N	418.513	3.779	10	20	HHCD	
Cc1c(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cccc1N1CCNC1=O	806475494	UERPSDFEDRPIQY-UHFFFAOYSA-N	409.273	3.859	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1	807100677	ONXJZQLCBGLYDY-SFHVURJKSA-N	416.525	3.617	10	20	HHCD	
COCC[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccco1	807902235	ULJGVJJWNYJXOV-LJQANCHMSA-N	414.502	3.541	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCC3	808012763	JCUOPPDMJHITJX-UHFFFAOYSA-N	412.536	3.803	10	20	HHCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3c4ccccc4CC34CCOCC4)ccc21	811955839	BWOPYQNJPVGXBM-HSZRJFAPSA-N	405.542	3.962	10	20	HHCD	
COc1ccc(N2CCCN(CN3C[C@@H](c4cccc(Cl)c4)CC3=O)CC2)cc1	812280913	MAQDQHSLWZZWGW-IBGZPJMESA-N	413.949	3.834	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	915932247	MPJOTQYURCKWIU-UHFFFAOYSA-N	412.368	3.573	10	20	HHCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC	917076766	DTWGGVUPGQPHKJ-QFIPXVFZSA-N	410.514	3.829	10	20	HHCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	917869760	HBEUCDOQZRNYQN-UHFFFAOYSA-N	411.911	3.915	10	20	HHCD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	919969503	OCCOIEFESINIBL-HNNXBMFYSA-N	420.912	3.832	10	20	HHCD	
Cc1ccc(C)c(SCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	919970579	NATLHMQZXBRESD-UHFFFAOYSA-N	402.535	3.812	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)C(F)(F)c3ccc(F)cc3)cc2F)C[C@H](C)O1	920844311	UISJEIBAZPAGOO-KBPBESRZSA-N	410.411	3.987	10	20	HHCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccn(-c3ccncc3)n2)cc1	1116781851	WLFOICMXNNBFIA-UHFFFAOYSA-N	403.408	3.538	10	20	HHCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1	1317742010	UVUPLBXRHMQTMZ-IBGZPJMESA-N	401.938	3.684	10	20	HHCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)cc1	1320395364	VYBVFCMFROBDSH-UHFFFAOYSA-N	407.283	3.949	10	20	HHCD	
COc1cc(Cl)c(Br)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1321936586	SPFIEUVGRDVDKG-VIFPVBQESA-N	414.683	3.883	10	20	HHCD	
Cc1cc(CCNC(=O)NCCC(=O)N2CCC[C@H](C)C2)c(C)n1-c1ccccc1	1340407205	ZUXOOWXQMQUILI-SFHVURJKSA-N	410.562	3.584	10	20	HHCD	
CC(C)(C)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2	1801831113	SOPDQITUQCIDPB-BCDXTJNWSA-N	417.550	3.741	10	20	HHCD	
COc1ccc2c(c1)CCCN2Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1	164351912	XKEBOHPOCQWJBB-UHFFFAOYSA-N	402.495	3.791	10	20	HHCD	
O=C(c1nn(-c2ccccc2)c2c1CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1	217640143	VJMQUBMXQBZVDH-FQEVSTJZSA-N	417.509	3.888	10	20	HHCD	
CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	614841678	XNMWUFGPJAXLMY-UHFFFAOYSA-N	418.544	3.754	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cncn1-c1ccccc1	726566556	SZKRJIYUFLAJKF-UHFFFAOYSA-N	412.440	3.873	10	20	HHCD	
CCN(Cc1ccccc1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)C(C)=O	726695381	DOZHENMSQSUZPE-UHFFFAOYSA-N	424.545	3.854	10	20	HHCD	
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728197232	BGYBNSOUOGKCSG-IEBWSBKVSA-N	424.541	3.846	10	20	HHCD	
CN(C)c1ccc(CN(C(=O)c2ccc(CSc3nc[nH]n3)cc2)C2CC2)cc1	728602490	KAGGCIIELSBCIA-UHFFFAOYSA-N	407.543	3.968	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)c1	728977801	DIZPITQDYGILPN-AWEZNQCLSA-N	402.454	3.934	10	20	HHCD	
CCCCOc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)c(C)c1	729061501	GFJLCLXJTXGJDW-OAHLLOKOSA-N	400.475	3.704	10	20	HHCD	
COc1cccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1O	729861690	VLDFCXQKZCSLHX-UHFFFAOYSA-N	407.426	3.851	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N(C)Cc1ccccc1	732469632	IBQRXULNMVBLKX-UGKGYDQZSA-N	411.546	3.603	10	20	HHCD	
CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)cn2C)NC(=O)OC(C)(C)C)cc1	742750499	CSYZVOZQNDZPHN-KRWDZBQOSA-N	420.941	3.740	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(C(=O)N(C)C)c1	743084553	OOROKXRGQFKTDM-UHFFFAOYSA-N	420.307	3.911	10	20	HHCD	
Cc1cccc([C@H](CC(=O)N(Cc2ccco2)Cc2ccccc2O)NC(N)=O)c1	743429922	BTQVHRKVCPYOKD-FQEVSTJZSA-N	407.470	3.622	10	20	HHCD	
C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCC[C@@H](C)C1	743605742	VJACRWXLZGCLJL-FGTMMUONSA-N	424.536	3.676	10	20	HHCD	
CCC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCOCC1	745798870	CFXWQTMDUKBUHB-UHFFFAOYSA-N	411.493	3.763	10	20	HHCD	
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Oc1ccccc1F	745891923	IQQVPHQZMQDCDA-WMZOPIPTSA-N	402.466	3.689	10	20	HHCD	
CC[C@@H]1Oc2cc([C@H](C)NC(=O)N[C@@H](C)c3cc(OC)ccc3O)ccc2NC1=O	745933961	WOOACQCTFJPALL-JMERFSKESA-N	413.474	3.632	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1O	750817843	WHOMKYPWNDMZGX-ZDUSSCGKSA-N	405.857	3.633	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)CCC(=O)c3ccc(OC)c(F)c3)CC2)cc1	751362450	AOPBIGLSGQFNTF-UHFFFAOYSA-N	414.477	3.545	10	20	HHCD	
C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NCC1CCCCC1	751937757	WDZYUBWXWNFBFZ-CQSZACIVSA-N	401.532	3.558	10	20	HHCD	
COc1ccc(N2CCN(C(=S)NCCSc3ccccc3)CC2)cc1F	753961499	JJESHBRMKAMAGJ-UHFFFAOYSA-N	405.564	3.623	10	20	HHCD	
COC1CCC(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1	754161688	XCKPJGLZIUZVKQ-VWYCLODISA-N	421.557	3.834	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1	756678948	BUPWSCIHOMXPJH-WOJBJXKFSA-N	417.575	3.628	10	20	HHCD	
Cc1ccc(O)c([C@@H](C)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)c1	756775795	KNLFPVSSKBGDOX-MRXNPFEDSA-N	406.523	3.734	10	20	HHCD	
CCOc1cccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c1OC(F)F	756954149	RREUGXLYRUWYHU-UHFFFAOYSA-N	411.424	3.891	10	20	HHCD	
C[C@H](NCc1ccccc1CN1CCC[C@@H]1CO)c1ccc(Br)cc1O	757638635	MIKAOZDRNWWRSJ-HNAYVOBHSA-N	419.363	3.962	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)Nc3cc(F)c(OC)cc3F)cc2F)CC1	758627108	RCCXKQMNBKPRJR-UHFFFAOYSA-N	422.451	3.576	10	20	HHCD	
O=C(NCCCSc1nccs1)N1CCC([C@H](O)c2ccc(F)cc2)CC1	759600383	DXDXIYNVNRCVLK-QGZVFWFLSA-N	409.552	3.920	10	20	HHCD	
Cc1cc(C(=O)N[C@H](CO)CC(F)F)c(C)n1-c1ccc(Br)cc1	760676282	HLPLIFXOMNRXLO-ZDUSSCGKSA-N	401.251	3.603	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)c1	761984064	VNICLFDYFFJDNO-AUQXIXNCSA-N	406.438	3.642	10	20	HHCD	
Cc1cc(-n2cccn2)ccc1NC(=O)NCc1cccc(Br)c1O	765392398	ZEEFCZLTTRSPDL-UHFFFAOYSA-N	401.264	3.971	10	20	HHCD	
C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(N2CCCCC2)cc1	765820535	LSWIZGBTZFNEBB-PXDATVDWSA-N	421.585	3.798	10	20	HHCD	
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H]3c3nncn3C)c2C)cc1	767762047	UPLCKFXSPBDXIX-NRFANRHFSA-N	407.518	3.641	10	20	HHCD	
C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	767774892	RWKDATVUNVQDCO-UXPWSPDFSA-N	422.525	3.541	10	20	HHCD	
CCc1ccccc1-n1cnnc1SCC(=O)N[C@H](C)c1cc(OC)ccc1O	768909978	FWABINUHJNBGLS-CQSZACIVSA-N	412.515	3.513	10	20	HHCD	
COc1cccc([C@H](C)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1	771062558	BDFZCTGOYHUPTQ-HNAYVOBHSA-N	402.922	3.939	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC1(Cc2ccccc2)CC1	772039824	RAVHYHPHOAHAMY-UHFFFAOYSA-N	411.521	3.609	10	20	HHCD	
Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1Cc1ccccc1	773011052	QIHPHINOSNCCNX-INIZCTEOSA-N	409.559	3.670	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)cc1	776039088	PIIBCERKBFOXDD-UHFFFAOYSA-N	419.529	3.590	10	20	HHCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(F)c1	776830814	XPHIZNQDQFDAGC-UHFFFAOYSA-N	424.394	3.814	10	20	HHCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(c2ccc(F)cc2F)CCC1	777288912	YXJHQSFQVRRSJF-UHFFFAOYSA-N	400.469	3.882	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCc1ccc(Cl)cc1F	777651011	OPOKWPUEDKRARQ-UHFFFAOYSA-N	405.901	3.687	10	20	HHCD	
COc1cccc(CNc2nc(C)c(C)nc2NCc2cccc(OC)c2O)c1O	777742598	NNCJQBPOHLVDFZ-UHFFFAOYSA-N	410.474	3.746	10	20	HHCD	
NC(=O)CN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	781549249	CIHAPSAJNVRSPG-NTUHNPAUSA-N	412.414	3.652	10	20	HHCD	
NC(=O)c1ccc(N2C(=O)/C(=C/c3cc(Cl)cc4c3OCC4)SC2=S)cc1	782881670	WLXFASQOTSEDDQ-DHDCSXOGSA-N	416.911	3.780	10	20	HHCD	
O=C(COC(=O)C1(c2ccc(Br)cc2)CCC1)c1ccc(O)c(O)c1	782991823	BDCSOWPTQQKRTM-UHFFFAOYSA-N	405.244	3.708	10	20	HHCD	
C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)ncn2C)c1ccc(N)cc1	783484598	FNDMLXWWGKOSSU-MRXNPFEDSA-N	413.481	3.888	10	20	HHCD	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1	785439305	NRNJIXORPJTKHM-UHFFFAOYSA-N	418.541	3.565	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc3c2OC(C)(C)C3)cc1	789559403	QDFQFNJPADVGFJ-UHFFFAOYSA-N	409.530	3.843	10	20	HHCD	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC[C@H]1CCSC1	791111184	DWTUYDWELHRLFA-ZMTLZGASSA-N	412.627	3.599	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc4c(C(F)F)nn(C)c4s3)CC2)cc1	791560200	DVONIKGVTOFFNH-UHFFFAOYSA-N	420.485	3.980	10	20	HHCD	
OC[C@@H](NCc1cccc(Br)c1O)c1ccccc1OC(F)(F)F	793349644	URSLOZSFJMDMMT-CYBMUJFWSA-N	406.198	3.877	10	20	HHCD	
CC[C@@H](NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1ccc(C)cc1O	794803126	PRHNRANTLHCWNG-TZIWHRDSSA-N	412.530	3.616	10	20	HHCD	
CCOC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c(F)cc1C	795549878	SMFNWQFJBHBLGY-UHFFFAOYSA-N	410.448	3.828	10	20	HHCD	
CCOc1ccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c(O)c1	796429734	KXBJELIDXZIGBJ-UHFFFAOYSA-N	405.501	3.660	10	20	HHCD	
Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2)o1	797110192	XIFZYSPJFPQTRG-CQSZACIVSA-N	408.454	3.661	10	20	HHCD	
O=C(O)CCCN1C(=O)/C(=C\c2c(F)ccc(Br)c2F)SC1=S	800720647	FOFDDFIXBDLQEB-UXBLZVDNSA-N	422.272	3.793	10	20	HHCD	
Cc1cc(-c2nnc(N3CC[C@H](Cc4cnn(C)c4)C3)n2C)c(C)n1-c1ccccc1	800731447	FDDBOTRBRDIREP-LJQANCHMSA-N	415.545	3.692	10	20	HHCD	
C[C@H](NC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl)c1ccc(N(C)C)cc1	804005672	DUJLUFNISJZRIN-KGLIPLIRSA-N	422.356	3.984	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2sc(C)nc2C)cc1F	804853087	SXEBNBIONOOWCE-AWEZNQCLSA-N	420.554	3.581	10	20	HHCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(CC(C)C)c1C1CC1	807077653	DFKNNHLHHCLWGO-UHFFFAOYSA-N	412.534	3.890	10	20	HHCD	
CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	807511593	PUHQUHKUPICUCD-UHFFFAOYSA-N	415.248	3.880	10	20	HHCD	
CC(=O)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3	808013243	SMVOZBFTRZWYJL-UHFFFAOYSA-N	412.536	3.966	10	20	HHCD	
Cc1cc(Br)c(O)c(CN[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1	808423058	PYTJBGZBRILFIW-CYBMUJFWSA-N	423.273	3.886	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Cc3noc(-c4sccc4C4CC4)n3)CC2)cc1	809465527	XHOLNDBCMPCERN-UHFFFAOYSA-N	424.526	3.575	10	20	HHCD	
COc1cc(O)c(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1OC	809713551	IYINVBIBIGYIGG-FQEVSTJZSA-N	411.420	3.920	10	20	HHCD	
CC[C@@H](NCc1ccc(CS(=O)(=O)NC)cc1)c1ccc(C(F)(F)F)cc1O	810211713	VJTAJFLGMOSPEY-QGZVFWFLSA-N	416.465	3.701	10	20	HHCD	
Cc1nnc(CCNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1	811914988	YWULFEMYZZJIAQ-CYBMUJFWSA-N	407.971	3.778	10	20	HHCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnn(-c2ccccn2)c1N	815951635	LJMGYKYAYNPVFC-KRWDZBQOSA-N	413.481	3.959	10	20	HHCD	
O=C1COc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)cs3)cc2N1	818783571	IOWTUNQMNQOIOY-UHFFFAOYSA-N	421.887	3.595	10	20	HHCD	
Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NCc2ccc(N(C)C)cc2)cc1	875515073	MUPPNJMCAHYXPS-QFIPXVFZSA-N	410.562	3.591	10	20	HHCD	
C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1c(F)cccc1F	918100751	BHVRDBZAHDEWHP-HNNXBMFYSA-N	403.473	3.734	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1	918205019	YDYRNVIXNPDJEQ-UHFFFAOYSA-N	410.440	3.868	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)cc1	918228897	QJGXGEUSYOMWMU-UHFFFAOYSA-N	424.589	3.959	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c3cccnc23)cc1	918429976	RDZVRCPENFIXDU-UHFFFAOYSA-N	410.905	3.989	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c1C	918583375	FUZARZPNUCCSKW-IBGZPJMESA-N	418.541	3.953	10	20	HHCD	
CC(C)(C)n1nc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1C1CC1	919970208	UBIIUTWTNJBPBE-UHFFFAOYSA-N	410.562	3.654	10	20	HHCD	
CCCCN(C(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@H]1CCS(=O)(=O)C1	919993180	OVRHLHBWOFUHQP-IBGZPJMESA-N	402.560	3.832	10	20	HHCD	
O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4cccc(F)c4)cs3)ccc2N1	1115961853	ZFWPAGJSNIPRBE-UHFFFAOYSA-N	403.460	3.635	10	20	HHCD	
C[C@H](NS(=O)(=O)c1c(F)cccc1Br)c1ccc(N(C)C)cc1	1201045671	CMKTVCWGDTYBKA-NSHDSACASA-N	401.301	3.694	10	20	HHCD	
CN1CCN(c2ccc(CNCCCOc3cccc4cccnc34)cc2F)CC1	1251830194	AHVQALCPKPETHA-UHFFFAOYSA-N	408.521	3.684	10	20	HHCD	
CN1CCN(c2ccc(CN[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)cc2F)CC1	1255466779	BOEWIYNLZMUEEZ-MOPGFXCFSA-N	420.573	3.503	10	20	HHCD	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1	1321415074	LTTMTIAGDSHRDV-UHFFFAOYSA-N	416.587	3.950	10	20	HHCD	
CC(C)=CCCC(=O)NC1(c2ccc(NC(=O)c3cc(O)nc(O)c3)cc2)CCC1	1788427743	KYRBTPKADBCRRM-UHFFFAOYSA-N	409.486	3.987	10	20	HHCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(F)CCCCC1)c1cc(O)c(O)c(Cl)c1	1797789523	HOEXDZQHFBVTNJ-QDMKHBRRSA-N	424.900	3.675	10	20	HHCD	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc2c1CCC2	195648014	VMOZTQNGHJSIKM-UHFFFAOYSA-N	404.432	3.961	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1	302944507	IPLWTAHMSOQSBK-UHFFFAOYSA-N	408.527	3.660	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)NCCCN(C)CC(F)(F)F)cc2)CC1	303401502	RBCRUCCDQAOYRZ-UHFFFAOYSA-N	400.489	3.606	10	20	HHCD	
Cc1ccc(F)c(NS(=O)(=O)c2cccc3nsnc23)c1Br	527034928	VXLPHRGRUBXDMA-UHFFFAOYSA-N	402.270	3.702	10	20	HHCD	
Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)cc2)n1	726290823	YRBSCIVYGPEANP-UHFFFAOYSA-N	413.524	3.905	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F	728140789	XPOIVYHQNWABKB-UHFFFAOYSA-N	411.399	3.898	10	20	HHCD	
O=C(Nc1cc(F)c(F)cc1F)C(=O)N(Cc1ccco1)Cc1ccccc1O	729785795	MANQVQHFKZEXQS-UHFFFAOYSA-N	404.344	3.570	10	20	HHCD	
O=C(CN(Cc1ccco1)Cc1ccccc1O)N1CCO[C@H](c2ccc(F)cc2)C1	732202075	GZDXVALQZBHLND-QHCPKHFHSA-N	424.472	3.727	10	20	HHCD	
COC(=O)CN(Cc1cc(-c2ccc(OC)cc2)no1)Cc1cc(Cl)ccc1O	732203248	RJNUTOFHEOFSPQ-UHFFFAOYSA-N	416.861	3.884	10	20	HHCD	
Cc1ccccc1C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	734167686	ZRABFYGZVAUGLG-NRFANRHFSA-N	411.521	3.887	10	20	HHCD	
O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCOC[C@@H]1c1ccco1	735185738	NECJHXAESWPTOH-GOSISDBHSA-N	421.444	3.633	10	20	HHCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(O)nc3ccc(F)cc23)cc1	737822280	XVJFVRAGNSWKKP-LJQANCHMSA-N	423.488	3.967	10	20	HHCD	
O=S(=O)(CC1CCCCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	739962933	RCHIETCFGXWSDK-GOSISDBHSA-N	400.972	3.510	10	20	HHCD	
CC(C)(C)OC(=O)NCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	743429863	AWZHBSRLRPASKT-UHFFFAOYSA-N	411.462	3.681	10	20	HHCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(OCC(F)(F)C(F)F)nc1	743717276	KAONVVZEPIINLZ-UHFFFAOYSA-N	412.383	3.875	10	20	HHCD	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCOc2cc(N(C)C)ccc21	744379941	FUTOQBBALUSCJK-UHFFFAOYSA-N	410.905	3.998	10	20	HHCD	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1	747371173	UEGIDQDGRZNCOC-WOJBJXKFSA-N	415.331	3.910	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1Oc1cccnc1	748093356	UVESJPZRXOIKFM-UHFFFAOYSA-N	421.472	3.904	10	20	HHCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)c2C)c1	749840913	SDKYRLMQJNPHFX-HXUWFJFHSA-N	414.571	3.545	10	20	HHCD	
CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1O	750817227	KNIQLOKIRAXOFU-UHFFFAOYSA-N	424.394	3.711	10	20	HHCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(Cn3ccnc3)c2)cc1	750875288	SOXZGQIPVVEYRP-DEOSSOPVSA-N	418.541	3.819	10	20	HHCD	
CCC(=O)NCc1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1OC	751549227	RLVBAVSNLFWHHU-UHFFFAOYSA-N	420.531	3.660	10	20	HHCD	
CCOc1ccc(NC(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1	751945985	UFEITWPHKPPXIS-UHFFFAOYSA-N	411.483	3.510	10	20	HHCD	
C[C@]1(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO[C@H]1C1CC1	753198146	ILVYZPAUBGVJLW-XERREHJYSA-N	409.477	3.514	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3ccc(N(C)c4ccccc4)nc3)CC2)cc1F	753741241	FFOYAZBEJLMZPD-UHFFFAOYSA-N	420.488	3.960	10	20	HHCD	
COc1ccc(OC(C)C)c(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1	753883815	GEJNDOUTXNEFDA-UHFFFAOYSA-N	417.481	3.984	10	20	HHCD	
CC1(C)C[C@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCO1	754229141	MFFFULVXNDORHS-WDGDVPDHSA-N	424.613	3.803	10	20	HHCD	
C[C@@H](Cc1cnccn1)N[C@H](C)c1cc(Br)cc(Br)c1O	756493756	HJYFWSZUGZVUFY-VHSXEESVSA-N	415.129	3.989	10	20	HHCD	
C[C@@H](NCCCNC(=O)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O	756523955	FAMDTLQZPFMKGJ-GFCCVEGCSA-N	422.279	3.534	10	20	HHCD	
CCn1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(=O)c2cc(Cl)ccc21	757925732	WTUOIPFOOAGTCA-UHFFFAOYSA-N	401.869	3.810	10	20	HHCD	
CCC(CC)NC(=O)[C@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc2O1	758960822	XWXMGHGPYYFAAO-LEVJEWGPSA-N	413.905	3.847	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)c1	763158432	ICJTXEYCUXFTPM-XCLFUZPHSA-N	414.893	3.938	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCCSc1nccs1	764244440	WYNNWNIHPQGPPS-CQSZACIVSA-N	411.593	3.779	10	20	HHCD	
CCCCn1ccnc1-c1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1	764255305	PTYXPTNMNMCFKG-UHFFFAOYSA-N	406.486	3.653	10	20	HHCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(N2CCOCC2)c1	765297737	PGAGLOYVQHJEKU-HXUWFJFHSA-N	409.574	3.583	10	20	HHCD	
O=C(NCc1cccc(Br)c1O)c1cnn(Cc2ccccc2Cl)c1	765735298	GLICSFRCJFEIDG-UHFFFAOYSA-N	420.694	3.983	10	20	HHCD	
COc1ccc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccc12	765978769	OGTNKGKDNNDLHL-SFHVURJKSA-N	424.566	3.934	10	20	HHCD	
COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)c1	767716986	VQMLROIBMSJKDL-UHFFFAOYSA-N	424.475	3.776	10	20	HHCD	
O=S(=O)(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccccc1Cl	768012429	LPZNJIFYWRIOPC-UHFFFAOYSA-N	405.951	3.673	10	20	HHCD	
Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]c2c1C(=O)CCC2	768913213	WVDXWANGRMCZFH-INIZCTEOSA-N	415.921	3.596	10	20	HHCD	
CC(C)[C@H](NC(=O)COc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2	774827219	PHEXPNLKUUPTOT-DEOSSOPVSA-N	410.514	3.950	10	20	HHCD	
CCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1CC	775137853	DOVIIAKCLYJNJF-UHFFFAOYSA-N	411.571	3.620	10	20	HHCD	
CC[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1O	775488078	GQBQVGCZMVRXJC-XHDPSFHLSA-N	414.285	3.908	10	20	HHCD	
CC1(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCCCC1	776335496	WFVQABJSKGCKQJ-IBGZPJMESA-N	400.567	3.548	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3cc(=NCc4ccccc4)cc[nH]3)CC2)cc1	776886240	DSEVOAQYVHPRLJ-UHFFFAOYSA-N	416.525	3.523	10	20	HHCD	
COC(=O)C[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccncc1	777352949	LSMFTCDEFLATKB-XMMPIXPASA-N	421.497	3.706	10	20	HHCD	
C[C@H](NC(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1	780620287	GBMZRTWEBMMMDN-INIZCTEOSA-N	404.555	3.902	10	20	HHCD	
C[C@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1cnccn1	782676592	KKTFBDWPPDJSRM-XBUHWIKASA-N	419.553	3.824	10	20	HHCD	
CN(Cc1c(O)ccc2cc(Br)ccc12)Cc1ncnn1CC(F)F	782990578	ILAVXTVYEDRUFE-UHFFFAOYSA-N	411.250	3.797	10	20	HHCD	
FC(F)(F)Oc1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1	783731572	HOKDBMWQOWWUAW-UHFFFAOYSA-N	411.449	3.908	10	20	HHCD	
COc1cc(F)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1F	784108757	LKVZGDLQLKQBHW-UHFFFAOYSA-N	403.429	3.718	10	20	HHCD	
CC(C)c1cnc(COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)o1	785414352	VOGIRPCSIFLYOF-UHFFFAOYSA-N	422.484	3.723	10	20	HHCD	
CC[C@]1(C)Oc2ccc(NC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)cc2O1	785986665	WJPNWTXVRLQABF-XMMPIXPASA-N	423.513	3.780	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1	787370854	RXGFQJBFHQMKTH-INIZCTEOSA-N	404.308	3.575	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2nc3ccccc3s2)cc1	788974145	CYJNKRPNSIVZOD-OAHLLOKOSA-N	410.543	3.636	10	20	HHCD	
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(F)c1	790638605	GFCRFNDYNQXSOG-UHFFFAOYSA-N	409.420	3.667	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)NCc1nc(-c2cccc(Br)c2)no1	790897811	PODFYYHVORANQN-UHFFFAOYSA-N	417.263	3.546	10	20	HHCD	
COC(=O)c1cc(/C=C2/SC(=S)N(c3cc(Cl)ccc3OC)C2=O)c[nH]1	792567512	DSVNDGGHWXCGGZ-MKMNVTDBSA-N	408.888	3.869	10	20	HHCD	
COc1cc(Br)cc(CN2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1O	793242461	QLOXTZXFBWGXLI-HDICACEKSA-N	417.347	3.727	10	20	HHCD	
Cc1cc(C(=O)COc2coc(CO)cc2=O)c(C)n1-c1cccc(C(F)(F)F)c1	794720506	OJOLCCXJKBLURP-UHFFFAOYSA-N	421.371	3.820	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ncnn2C(C)(C)C)cc1	800742780	FVGBJYWIEUXJLC-UHFFFAOYSA-N	410.522	3.604	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1	800998797	LNBBARYLLAOENI-FQEVSTJZSA-N	409.534	3.638	10	20	HHCD	
CC[C@H]1CN(C(=O)c2ccccc2SCc2csc(C)n2)C[C@H](C)S1(=O)=O	805398403	JGVHUTVEBGHVID-BBRMVZONSA-N	424.613	3.782	10	20	HHCD	
CC[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1O	806133248	KCTPAGBZBGCCDY-WBMJQRKESA-N	414.285	3.908	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)c1	806885649	HAAXEBPDCBIYIC-NSHDSACASA-N	417.512	3.710	10	20	HHCD	
C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc2ncsc2c1	807565411	LFSRTMDUNOSMCS-HNNXBMFYSA-N	422.554	3.731	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	809702809	YUCBQHXRXIKUOM-AEFFLSMTSA-N	418.287	3.808	10	20	HHCD	
COC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(Cl)c1	810211885	XLCDOIDPDVYVCO-NQIIRXRSSA-N	401.938	3.519	10	20	HHCD	
COc1ccc(O)c(CN=c2c([N+](=O)[O-])c[nH]c3ccc(Br)cc23)c1	811805464	ULQRZIXMMDXSQI-UHFFFAOYSA-N	404.220	3.654	10	20	HHCD	
CCOC1(C)CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	813662420	XTYBEIUNPFBNIY-INIZCTEOSA-N	411.493	3.857	10	20	HHCD	
O=C(CSC1=NC(=O)/C(=C\c2csc3ccccc23)S1)NC(=O)NC1CC1	814773198	ONYZKWFSBKUMKP-VGOFMYFVSA-N	417.537	3.593	10	20	HHCD	
Cc1ccc(/C=C/S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1	917916803	CIIYDCPDWRORPK-QTYXSNHHSA-N	418.534	3.838	10	20	HHCD	
O=C(NCCNC(=O)c1cccs1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	918428559	LXNUGOFCFIQXQM-UHFFFAOYSA-N	421.482	3.648	10	20	HHCD	
CC1CCN(c2ccc(CNC(=O)Nc3cnn(Cc4cccnc4)c3)cc2)CC1	1319035916	MMMHMGQRADBMPB-UHFFFAOYSA-N	404.518	3.884	10	20	HHCD	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Cc1nc(O)c2sccc2n1	1320288726	XULMLKDUWCEOPR-UHFFFAOYSA-N	413.503	3.927	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)Cc3coc(-c4ccccc4)n3)cc2F)C[C@H](C)O1	1337686837	ITKHBROKXXDDLT-IRXDYDNUSA-N	423.488	3.953	10	20	HHCD	
CCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3O)cc2)CCC1	1792297762	HVIOGQAKSHCJLN-WUXMJOGZSA-N	410.470	3.751	10	20	HHCD	
CCOc1ccc(OCCNC(=O)CSc2ncc(-c3ccccc3)n2C)cc1	7211234	CGTOQEQEIRDHSR-UHFFFAOYSA-N	411.527	3.773	10	20	HHCD	
COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc(O)c1O	24034362	LUBVOLRNKCFUCB-QFIPXVFZSA-N	420.421	3.602	10	20	HHCD	
Cn1ccnc1C(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1	64430285	XMKJWXDTKIGOIP-UHFFFAOYSA-N	405.458	3.772	10	20	HHCD	
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	72053975	WMFQZQGXTZOCAH-BFUOFWGJSA-N	403.523	3.663	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)CN2C(=O)c3ccccc3CS2(=O)=O)c1C	72076634	PEVHWYMWFHXRRA-UHFFFAOYSA-N	422.506	3.571	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl	108243763	MSNNKEVQRSSJRS-QGZVFWFLSA-N	407.297	3.962	10	20	HHCD	
CN(c1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1)C1CCCCC1	116030136	XLSBRPRRFAZBCR-HXUWFJFHSA-N	420.557	3.515	10	20	HHCD	
Cc1nc(-c2ccncc2)nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C	301296446	VSKBUABHNKMKIH-UHFFFAOYSA-N	407.493	3.868	10	20	HHCD	
Cc1ccnc([C@@H](NC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)C2CC2)n1	444326653	PHSVCZGIUXYDLW-DEOSSOPVSA-N	417.557	3.774	10	20	HHCD	
O=C1c2ccccc2C(=O)N1CCC1=CCN(c2cnc3cc(F)c(F)cc3n2)CC1	480848852	UDGSCLLCRJSKGI-UHFFFAOYSA-N	420.419	3.731	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)cc1	726562754	NPZMNKHQPFUDPE-UHFFFAOYSA-N	401.488	3.724	10	20	HHCD	
Cc1cc(CC(=O)N2CCC(C3OCCO3)CC2)c(C)n1-c1ccc(Cl)cc1	726775504	ILGXLDKYISOKHP-UHFFFAOYSA-N	402.922	3.902	10	20	HHCD	
Cc1cc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1	728076860	HAPLRZOEYHUYGV-OAQYLSRUSA-N	424.589	3.535	10	20	HHCD	
CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1	728944136	MVXPIBBHQYYARU-KKSFZXQISA-N	415.534	3.853	10	20	HHCD	
C/C=C\COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	729075357	FDSDQWNRWHWYOI-RPRUSFSVSA-N	412.330	3.770	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)N(Cc3ccco3)C(C)C)cc2F)CC1	730134339	YMXSTLZKKYXZLC-UHFFFAOYSA-N	402.514	3.681	10	20	HHCD	
CC1CCN(c2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1	731038131	FUVNZROALZWDFJ-UHFFFAOYSA-N	423.922	3.963	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1F	731404711	OPLPSUQRNAXUQR-UHFFFAOYSA-N	404.530	3.847	10	20	HHCD	
O=C(NCCCSc1nccs1)c1ccc(I)c(F)c1	733973282	YHCMVAUVPFSMAV-UHFFFAOYSA-N	422.288	3.799	10	20	HHCD	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	743814351	FACAOPOKJSGHEG-AWEZNQCLSA-N	406.389	3.987	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NCC(C)(C)N1CCCCC1	745293638	NIQHJQVCAJSPSO-UHFFFAOYSA-N	412.372	3.951	10	20	HHCD	
COC1(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CCOCC1	747541289	MMYCJLZHLXDCRA-UHFFFAOYSA-N	421.335	3.782	10	20	HHCD	
CC[C@@H](C(=O)N1CCC(NC(=O)N(C)Cc2ccccc2O)CC1)c1ccccc1	749192141	YQTOYILDCYBWMA-OAQYLSRUSA-N	409.530	3.718	10	20	HHCD	
COc1ccc(N2CCN(CCCNC(=O)CCCc3ccc(C)s3)CC2)cc1	750820243	YVZYULCSXPGTED-UHFFFAOYSA-N	415.603	3.716	10	20	HHCD	
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	751307028	UJKJSHPQPDHOEL-WZONZLPQSA-N	407.558	3.711	10	20	HHCD	
CCN(Cc1ccccn1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	753006751	LHDOCYNBOADUMY-KRWDZBQOSA-N	404.461	3.884	10	20	HHCD	
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cccc4ncccc34)CC2)cc1F	753860582	IYMGWHSKOCOFBS-INIZCTEOSA-N	408.477	3.532	10	20	HHCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@H](c3ccccc3)n3cccn3)ccc21	754550786	IITLBLMBZGNWPF-QFIPXVFZSA-N	407.429	3.887	10	20	HHCD	
C[C@]1(c2ccccc2)NC(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O	761636825	QWBKCORLGLBTIB-HTAPYJJXSA-N	415.440	3.724	10	20	HHCD	
COc1ccc2c(c1)[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)CC2	761665022	SGVGISQJNYEUSZ-PKTZIBPZSA-N	408.542	3.999	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccnn2-c2ccccc2C)cc1	761882085	SNGVHOPSTBBRKE-UHFFFAOYSA-N	419.529	3.624	10	20	HHCD	
Cc1cc(Br)cc(CNC[C@H]2CN(Cc3ccccc3)CCCO2)c1O	763395118	VJVQSBYCWDSILY-FQEVSTJZSA-N	419.363	3.844	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H](C)c2ccc(N(C)C)cc2)s1	765729371	PPTMQOKQTLWWMC-INIZCTEOSA-N	409.621	3.738	10	20	HHCD	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	767477781	IEPRKXOLJADRBU-HXUWFJFHSA-N	419.566	3.565	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3Cn3cccn3)c2)CC1	767933551	NGCMKZWPQOWRKW-UHFFFAOYSA-N	403.530	3.714	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)CCN(C)C3CCCCC3)cc2F)C[C@@H](C)O1	769688337	KGLUDELHBPRKTJ-HDICACEKSA-N	405.558	3.710	10	20	HHCD	
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769709066	AARDFUZUEVYYQT-UHFFFAOYSA-N	417.314	3.733	10	20	HHCD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(N(C)C)c(C)c2)cc1	772994826	BSDIWRCYPJHXGD-SFHVURJKSA-N	403.592	3.942	10	20	HHCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	778233940	JLNHFKUMYAYHGK-VQTJNVASSA-N	410.474	3.693	10	20	HHCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1	778631638	WYNDSRJDTGJJQT-XJABCFGWSA-N	403.567	3.867	10	20	HHCD	
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Br)cc3C)c2)CC1	781045985	VETWRRLDHFJAMC-UHFFFAOYSA-N	416.319	3.678	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccc(C)nc2N2CCCC2)cc1F	781376617	VKAFKWBLGRSIRN-UHFFFAOYSA-N	413.541	3.975	10	20	HHCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	782548123	WLRYWFCPOGGPMJ-MSOLQXFVSA-N	407.530	3.588	10	20	HHCD	
CCOc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1F	783316080	KSTNQIYLSMLPHV-UHFFFAOYSA-N	401.482	3.666	10	20	HHCD	
CC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1Cl	783317552	WMTDQMXNLVGFSB-UHFFFAOYSA-N	415.921	3.984	10	20	HHCD	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OCCC(C)C	785296836	JFQJGONBCCWZRW-INIZCTEOSA-N	414.502	3.517	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccccc4F)CCCC3)cc2)CC1	786658587	BDJSIBDMRIUVCN-UHFFFAOYSA-N	423.532	3.622	10	20	HHCD	
CC(C)(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1	788250389	RUVYMANWUSXCOX-OAQYLSRUSA-N	409.505	3.722	10	20	HHCD	
COc1ccccc1CONC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	798426641	GPYBCNIFDMFEDD-INIZCTEOSA-N	421.444	3.696	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1c1ccccc1	800656805	FDAXSEYYDZZMQW-ZRVJFILXSA-N	424.497	3.630	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H](c3ccccc3C)N(C)C)CC2)cc1	806684101	QOCZIHCTPUYPQE-CYFREDJKSA-N	424.589	3.963	10	20	HHCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl	807099522	XXEOJRWGWOLMCD-UHFFFAOYSA-N	408.329	3.643	10	20	HHCD	
CC1(C)Cc2cc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2O1	807512968	DTCNQXUXLJKWIQ-UHFFFAOYSA-N	409.269	3.667	10	20	HHCD	
COc1cccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1O	813796075	ZFNQYYJOYAXXBI-MRXNPFEDSA-N	419.522	3.522	10	20	HHCD	
C[C@H](NCc1cc2ccccc2n(C)c1=O)c1cc(Br)cc(F)c1O	813881819	VDNWQKVHZKQTSW-NSHDSACASA-N	405.267	3.997	10	20	HHCD	
COc1cc(N2CCN(C(=O)NCC(C)(C)C(C)(C)C)CC2)cc(OC)c1OC	814418445	BNYYONNWFBMSNA-UHFFFAOYSA-N	407.555	3.616	10	20	HHCD	
CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(N4CCOCC4)cc3)CC2)C1	816622970	QIUILXRCGOEQOF-UHFFFAOYSA-N	415.578	3.746	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(-n3cccn3)nc2)cc1	914456028	JOGMRUMBCVCHAR-UHFFFAOYSA-N	401.470	3.769	10	20	HHCD	
Cc1ccc(N(C)CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C	917073534	XIOITZWFAUCXQM-OALUTQOASA-N	413.537	3.809	10	20	HHCD	
C[C@H]1CN(c2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2F)C[C@H](C)O1	917167006	NKWSITXXQFGYLJ-GJZGRUSLSA-N	406.885	3.788	10	20	HHCD	
C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2c(O)ccc3ccccc23)CC1	917463709	LDAZXWHJMXXGOU-KRWDZBQOSA-N	407.489	3.829	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CCSc2ccccc21	918184973	VWIHQRLCIHKYON-IBGZPJMESA-N	415.534	3.823	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H]1Cc1ccccc1	918220385	CXIUZBVWYAOMRY-HXUWFJFHSA-N	411.521	3.704	10	20	HHCD	
C[C@@H](NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1	920921338	BTIBSZYJWOANAZ-HYBUGGRVSA-N	423.557	3.975	10	20	HHCD	
O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CC[C@H]2CCCC[C@@H]2C1	1253364051	VFRGTMOIKCBHGY-HUUCEWRRSA-N	420.556	3.907	10	20	HHCD	
Cc1cc(-c2nnc(-c3coc(S(=O)(=O)N(C)C)c3)o2)c(C)n1-c1ccccc1	1345623643	FBGLWDDREHFRTO-UHFFFAOYSA-N	412.471	3.654	10	20	HHCD	
CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	104920090	GAHWVGFNPMJRCE-UHFFFAOYSA-N	413.499	3.528	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)cc1	110361426	GPXDWPISMCOQFM-UHFFFAOYSA-N	410.474	3.577	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	139941290	FFDPDICTUSSCIS-IBGZPJMESA-N	410.562	3.882	10	20	HHCD	
COc1ccc(C(=O)CCCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	148499668	LOSFDYLHAFMUDF-SFHVURJKSA-N	410.514	3.762	10	20	HHCD	
COc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1OC	302175636	WWOROMRXBCCYEB-UHFFFAOYSA-N	407.854	3.601	10	20	HHCD	
C[C@@H]1CCCN(C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	303034066	UQMQZIYKDOQXMI-QUCCMNQESA-N	403.567	3.593	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-c2ccccc2)nc1O	303034889	UVZNZBSPUMAUGG-UHFFFAOYSA-N	417.509	3.593	10	20	HHCD	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	539761769	RKLFEDZTGPGATK-LBPRGKRZSA-N	410.440	3.657	10	20	HHCD	
Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2ccc3nnc(C)n3c2)c1C	726811390	ACRPWZNWZHRQLL-UHFFFAOYSA-N	402.454	3.793	10	20	HHCD	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	727100750	ZOGRAZGWGZLHKH-INIZCTEOSA-N	422.447	3.968	10	20	HHCD	
CSCc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	727595699	MSJNZTLBWWYIOI-UHFFFAOYSA-N	403.523	3.972	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C2(O)CCOCC2)c(C)n1-c1ccc(C(C)(C)C)cc1	729025015	XPFKNWRMVUYPOQ-UHFFFAOYSA-N	413.514	3.659	10	20	HHCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c1	729045879	ZZRXELMBKXKXDS-YJYMSZOUSA-N	414.893	3.938	10	20	HHCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	729066339	KKPDBSNPNIJXNK-VIFPVBQESA-N	416.783	3.889	10	20	HHCD	
COc1ccccc1NC(=O)c1ccc(NC(=O)NCc2cccc(OC)c2O)cc1	729549880	WDFJADJZDSPAMO-UHFFFAOYSA-N	421.453	3.983	10	20	HHCD	
COc1cccc(CNC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1O	729559216	LRWGUIRUCXEYQY-UHFFFAOYSA-N	421.453	3.740	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3ccc([C@H]4C[C@H]4C)o3)cc2F)CC1	730118747	BXHIXKGOCJFFNH-APWZRJJASA-N	414.525	3.683	10	20	HHCD	
CCN1CCN(c2ccc(CNC(=O)NCc3cc4ccccc4o3)cc2F)CC1	730119260	RCYDBYHGFCQJLD-UHFFFAOYSA-N	410.493	3.713	10	20	HHCD	
CN(C)c1ccc(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1F	730748607	APWWRQUKTTUKKF-UHFFFAOYSA-N	423.826	3.993	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1F	731347232	RJCQYHLIAAEZEH-UHFFFAOYSA-N	414.449	3.598	10	20	HHCD	
CN(C)c1ncnc2c1ncn2CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	731567571	UOLPRHFOYKMIIE-UHFFFAOYSA-N	400.446	3.946	10	20	HHCD	
O=C(c1cc(Cl)c2c(c1)OCCO2)N(Cc1ccccc1O)C[C@H]1CCCO1	731859116	RUWYJADAJVZZNZ-MRXNPFEDSA-N	403.862	3.638	10	20	HHCD	
O=C(CCCN1CCN(c2ccccc2)CC1)NCc1ccc(N2CCCC2)cc1	731869600	SMDNFBJQWVYQQW-UHFFFAOYSA-N	406.574	3.505	10	20	HHCD	
Cc1cc(C(=O)N2CCC[C@@H](c3nnc(S)n3C(C)C)C2)c(C)n1-c1ccccn1	732166821	SHRDFRVFYVJCCJ-QGZVFWFLSA-N	424.574	3.970	10	20	HHCD	
COc1ccc(O)c(CNC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1	734018452	SIYAWFUIIPOQSR-GASCZTMLSA-N	413.474	3.721	10	20	HHCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(CSc2ccccn2)c1	737134163	JQTSKZBOROJXPX-UHFFFAOYSA-N	407.495	3.677	10	20	HHCD	
O=C(Nc1cccc(F)c1)C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	740919778	MTDCXHJKXUTCSN-UHFFFAOYSA-N	422.504	3.762	10	20	HHCD	
Cc1cc(C(=O)COC(=O)c2ncccn2)c(C)n1-c1cccc(Br)c1	741035478	BIULOYYJEXWSGC-UHFFFAOYSA-N	414.259	3.686	10	20	HHCD	
COCCOC[C@@H]1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1	743566585	JNMISKGEHBMSEY-HXUWFJFHSA-N	403.567	3.650	10	20	HHCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1	745882818	PTUBKNRHEUBFCN-AVRDEDQJSA-N	408.546	3.868	10	20	HHCD	
COC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(C)o1	746769174	DYUBSLSMMRRLEW-QAPCUYQASA-N	423.460	3.845	10	20	HHCD	
COc1ccc(N2CCN(C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)CC2)cc1	748995905	XJAAPHVKHJWPBI-UHFFFAOYSA-N	420.469	3.895	10	20	HHCD	
COc1cccc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1	749129331	IEKMMNGHSVKEOD-GOSISDBHSA-N	421.520	3.802	10	20	HHCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1	752965436	OOIDVSGUGVWUBF-NSHDSACASA-N	402.838	3.665	10	20	HHCD	
C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-n4cccc4)nc3)cc2F)C[C@@H](C)O1	753200585	KMQXTGUKDMTWRM-IAGOWNOFSA-N	408.477	3.555	10	20	HHCD	
COc1ccc(N2CCC(Nc3cccc4c3CCN(CC(C)(C)O)C4)CC2)cc1	753585432	GVLIJGLIQFTQIC-UHFFFAOYSA-N	409.574	3.905	10	20	HHCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]21	753587907	FJLKBGUZAJUSNN-BAGYTPMASA-N	415.578	3.648	10	20	HHCD	
O=C1NCCN(Cc2ccc(OCc3ccccc3)cc2O)[C@H]1c1ccccc1F	753588928	FLSBBOWUUPXPTH-QHCPKHFHSA-N	406.457	3.783	10	20	HHCD	
COc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1F	753740067	MLBVVISLZKTNDU-UHFFFAOYSA-N	414.868	3.840	10	20	HHCD	
Cc1cc(C(=O)COC(=O)C2CC(F)(F)C2)c(C)n1-c1ccc2c(c1)OCCO2	754126920	DUPADRQTRFRQBA-UHFFFAOYSA-N	405.397	3.637	10	20	HHCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1(Cc2ccccc2)CCC1	761639426	YTUMTVCILQOXIV-UHFFFAOYSA-N	411.521	3.751	10	20	HHCD	
CCN1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3cc(OC)ccc3O)c2C1	761971964	CVSQZXSIMMGULD-OAHLLOKOSA-N	405.498	3.818	10	20	HHCD	
COc1cccc(CNC2CCN(Cc3ccc(Br)cc3)CC2)c1O	761994261	ZTFRJRUVUBSTEX-UHFFFAOYSA-N	405.336	3.918	10	20	HHCD	
C[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C1CCOCC1	762400018	WWVRDTMYPCWECS-MLDYKZIASA-N	424.613	3.661	10	20	HHCD	
COc1ccc2c(c1)CCC[C@H]2CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	766111536	KHTIEAMTVPUQLH-NRFANRHFSA-N	423.557	3.793	10	20	HHCD	
CC(C)N1CCN(c2cccc(NC(=S)Nc3ccc4c(c3)OCCO4)c2)CC1	767912400	BLYRANSHNMIHAC-UHFFFAOYSA-N	412.559	3.797	10	20	HHCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1	769121792	UFFBCXUATQSTEO-BJKOFHAPSA-N	413.525	3.987	10	20	HHCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C	772041179	CONOSRRSKJWQSS-IBGZPJMESA-N	421.607	3.844	10	20	HHCD	
CC[C@@H](NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(N(C)C)cc1	773000235	NSKNQVDKRYFJLQ-HSZRJFAPSA-N	415.603	3.788	10	20	HHCD	
O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccccc1SCc1ccccc1	774364360	WZKOXDZTQKWGTI-UHFFFAOYSA-N	422.506	3.688	10	20	HHCD	
COCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1	774698694	CEWCXJRJZIBIEF-UHFFFAOYSA-N	417.512	3.716	10	20	HHCD	
Cc1cc(Br)cc(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)c1O	775648253	CAZVOHQSCMYQOO-UHFFFAOYSA-N	421.310	3.950	10	20	HHCD	
COc1cc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)c(SC)cc1OC	775715031	ASZPEKNMFXDOID-UHFFFAOYSA-N	415.603	3.810	10	20	HHCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N2CCc3c(F)cccc32)cc1	782424888	CZMKYYQKEPYWBF-UHFFFAOYSA-N	421.472	3.603	10	20	HHCD	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCc4ncsc4C3)c2C)cc1	782635459	XGYNEYQGPYLBQX-UHFFFAOYSA-N	409.511	3.578	10	20	HHCD	
CN(C)CCc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	782896607	RJPMTTREFPVNRA-UHFFFAOYSA-N	423.557	3.796	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)c3ccn(-c4ccc(F)cc4C)n3)CC2)cc1	783037397	GPGDSYISJRWUBL-UHFFFAOYSA-N	408.477	3.681	10	20	HHCD	
CC(C)NC(=O)c1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cc1	784060894	KBQMMTZHOLEMCQ-UHFFFAOYSA-N	422.529	3.711	10	20	HHCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4c(s3)CCCCC4)cc2)CC1	786259086	JNCQWARHFFVMEC-UHFFFAOYSA-N	411.571	3.616	10	20	HHCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(Cc2ccc(C)s2)C(C)C)cc1	788965347	FZHQXUHEEJNOGB-UHFFFAOYSA-N	401.576	3.956	10	20	HHCD	
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)C1	789014928	UDMPDDJFRBFHIS-OWCLPIDISA-N	419.477	3.512	10	20	HHCD	
COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)CC2)cc1	790629067	KGUJLPONUBCOAN-NRFANRHFSA-N	401.551	3.799	10	20	HHCD	
CCOc1ccc(O)c(CN(C)Cc2cn(-c3cccc(Br)c3)nn2)c1	796013857	KGPGHNWZUUZZCF-UHFFFAOYSA-N	417.307	3.766	10	20	HHCD	
COc1ccc(N(CCC(C)C)Cc2nnc3n(C)c(=O)c4sccc4n23)cc1	796506252	WTNLLKXIKNWUHS-UHFFFAOYSA-N	411.531	3.704	10	20	HHCD	
Fc1cc(CNc2ccc(Cl)c(CN3CCOCC3)c2)ccc1N1CCOCC1	797468382	AYJXLDZMYPZIOT-UHFFFAOYSA-N	419.928	3.760	10	20	HHCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1c(Cl)ccc2c1CCO2	797667619	NZBJUKQMDPPLIR-UHFFFAOYSA-N	415.921	3.805	10	20	HHCD	
CN(C)c1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)NC(=O)OC(C)(C)C)cc1	799960789	PCNZHRHKKWDINZ-AWEZNQCLSA-N	407.496	3.795	10	20	HHCD	
COc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800635907	AVTATWFIQFBBKT-HNNXBMFYSA-N	415.921	3.840	10	20	HHCD	
CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	804132455	HKAONIWNTWPKCY-JOCHJYFZSA-N	407.558	3.677	10	20	HHCD	
C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1c(Cl)cccc1Cl	804305218	IYIOUUXOQGLTOW-CQSZACIVSA-N	422.356	3.938	10	20	HHCD	
CC[C@@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1cccc(Cl)c1O	806133913	FEFVPFFKCASGGL-QGZVFWFLSA-N	406.910	3.762	10	20	HHCD	
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	806493701	BEBPHDLJEDQSPD-YZGWKJHDSA-N	414.594	3.745	10	20	HHCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC1CCC(C)(C)CC1	806632605	NOEQNGVEUJEGGU-UHFFFAOYSA-N	411.340	3.588	10	20	HHCD	
COc1ccc(N2CCC(NC(=O)Nc3nc(C4CCOCC4)cs3)CC2)cc1	806726018	JDHHMAANCNBGLE-UHFFFAOYSA-N	416.547	3.836	10	20	HHCD	
CCOC(=O)C(C)(C)c1csc(NC(=O)NCCCSc2nccs2)n1	806823480	VRNIDRNJYYFTNI-UHFFFAOYSA-N	414.578	3.744	10	20	HHCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N[C@H](C1CC1)C(F)(F)F	806878560	SHRVIIBYCIHVLJ-IUODEOHRSA-N	407.383	3.897	10	20	HHCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@H](O)c1cccc(F)c1	807932086	PFTDCPAKTBQMFZ-NRFANRHFSA-N	416.493	3.638	10	20	HHCD	
CN(Cc1ccccc1O)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCOC1	812383953	CHXWFJWOKPZGII-QGZVFWFLSA-N	415.497	3.872	10	20	HHCD	
CC(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1	915847912	YWDOZHOEPVWBBV-UHFFFAOYSA-N	400.544	3.740	10	20	HHCD	
CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1	916438565	QBXBCINUSDEGGN-FZKQIMNGSA-N	407.436	3.823	10	20	HHCD	
COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(F)c1	916456326	DYPBLZLIFPEJGT-UHFFFAOYSA-N	412.383	3.620	10	20	HHCD	
Cc1cccc(-n2c(C)cc(C(=O)CN(C3CC3)S(=O)(=O)c3cccnc3)c2C)c1	917400191	ICOCCQHCFMXAII-UHFFFAOYSA-N	423.538	3.834	10	20	HHCD	
COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	918209451	LPTLGQARSFAQKG-MRXNPFEDSA-N	415.509	3.603	10	20	HHCD	
Cc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)NC2)c(C)n1-c1ccc(C(C)(C)C)cc1	919338295	DHIAVRCPJUQQEA-QGZVFWFLSA-N	410.514	3.644	10	20	HHCD	
O=C1COc2ccccc2N1CCNC(=O)N(Cc1ccccc1O)C1CCCCC1	1320552322	UYCXRAJHGZWNJT-UHFFFAOYSA-N	423.513	3.662	10	20	HHCD