smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)n1CCN1CCOCC1)N(C)C	514292911	NUNWERFKRFZAHO-AUSIDOKSSA-N	616.254	3.426	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@@H](C)COC)c1	514374071	HHHAJKQBOUJIRA-HNNXBMFYSA-N	522.653	3.210	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	514379202	PHAWIKYNPZOSKO-BGYRXZFFSA-N	565.714	3.310	0	20	KGAD	
COc1ccc(OCCN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1	514382301	IJKYUEBWVVDOEW-UHFFFAOYSA-N	517.467	3.457	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)nnc2-c2ccccc2Cl)cc1	514385381	GFIHZBIGHCFKPV-FQEVSTJZSA-N	576.144	3.410	0	20	KGAD	
O=C(c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	514295279	BHVWXXRIQGVOLU-IBGZPJMESA-N	512.415	3.258	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1	514296028	NTJHLDJBKHQXCZ-QFBILLFUSA-N	539.676	3.063	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C	514297190	STJLWUGSWFNXBK-UHFFFAOYSA-N	595.740	3.320	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	514376457	AIUAPMFGJOXBQJ-IAGOWNOFSA-N	538.464	3.266	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)c(O)nc1=O	514379120	MDAMQTVSIHQECL-UHFFFAOYSA-N	587.747	3.014	0	20	KGAD	
COc1ccc(CSc2nnc(SCC(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)s2)cc1	514391121	GKBYMFGXKREACH-HNNXBMFYSA-N	525.703	3.434	0	20	KGAD	
CSc1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)c4nncn4c3)sc2C1	1819679711	FXWBRCVUCVLGSS-GFCCVEGCSA-N	500.009	3.496	0	20	KGAD	
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	514293566	VNTOVMKPWVQEJS-UHFFFAOYSA-N	538.051	3.202	0	20	KGAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCCC3)c1c(O)nc(=O)n(CC(C)C)c1N	514294045	VVYNHDPAWZGSAO-UHFFFAOYSA-N	590.772	3.409	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)c(O)nc1=O	514294721	AVDICILUEJYTDC-UYAOXDASSA-N	563.721	3.500	0	20	KGAD	
CN(C(=O)CSCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C1CCCCC1	514296940	SZMPFBZUEQELRE-UHFFFAOYSA-N	522.520	3.351	0	20	KGAD	
CCCCn1c(SCC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514302042	AISKQXVHNMDYTJ-UHFFFAOYSA-N	637.806	3.494	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3ccc(NC(C)=O)cc3)c2=O)ccc1C	514381344	AODPPEQACVHQLF-UHFFFAOYSA-N	626.801	3.070	0	20	KGAD	
Cc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)N2CCOCC2)o1	514390466	KSBZUHWPOXJLSX-VWLOTQADSA-N	509.628	3.138	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(N4CCCC4)n3Cc3ccco3)cc2)C[C@@H](C)O1	514394142	QWOXHHBJUUGSFQ-RTBURBONSA-N	560.702	3.048	0	20	KGAD	
C[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)c1ccc(OC(F)F)cc1	514401733	COXWFSQYIZLFAZ-MRXNPFEDSA-N	522.574	3.006	0	20	KGAD	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CCS(=O)(=O)C2	514304409	STJKUTDXAWQMIL-OAHLLOKOSA-N	540.685	3.211	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccc2c(c1)OCCCO2	514382339	JTJISLCQHXFNSW-UHFFFAOYSA-N	501.605	3.111	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1cccc(Br)c1	514402805	DYLGTXLMNXVCJV-SFHVURJKSA-N	524.437	3.313	0	20	KGAD	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514404547	IABOFCPLNDCWBY-YADHBBJMSA-N	530.647	3.360	0	20	KGAD	
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	514296484	QSKXFJGLMZDCCO-FQEVSTJZSA-N	511.600	3.279	0	20	KGAD	
CCCCOCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(CNC(C)=O)cc1)c1ccc(OC)c(OC)c1	514298093	XTULOKYIETTXQJ-XMMPIXPASA-N	549.690	3.073	0	20	KGAD	
CCCCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1c(O)nc(=O)n(CCC)c1N	514379078	OKJGOAQPUVLUDO-ROUUACIJSA-N	519.668	3.055	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O	514384141	MSSBADRVFATEAT-KRWDZBQOSA-N	502.568	3.105	0	20	KGAD	
CCn1c(SCC(=O)NCCOc2cccc(C)c2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514391126	GTHQOOQJKOVLOW-UHFFFAOYSA-N	529.688	3.345	0	20	KGAD	
Cc1csc(=O)n1CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514401928	CDFTUTQGSUGUQF-UHFFFAOYSA-N	535.717	3.405	0	20	KGAD	
COc1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1	514293108	RUPFNFPYNDDFIG-UHFFFAOYSA-N	515.451	3.351	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)CC2)c(C)c1	514377376	SQPAYGYOCYJCLJ-XMMPIXPASA-N	503.640	3.033	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1	514384212	QVIXDFTYNZIZCP-GOSISDBHSA-N	518.604	3.412	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)sc(C(C)=O)c1C	514393840	MTYFIHDGTWGGHS-UHFFFAOYSA-N	533.632	3.236	0	20	KGAD	
CN(CCOc1ccc(Br)cc1)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1	514403223	RKEWVNJYCRJKRA-QGZVFWFLSA-N	501.468	3.037	0	20	KGAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	514294916	DDLJUWMGYRLALO-OVWYZSLCSA-N	565.648	3.408	0	20	KGAD	
Nc1c(N(CCC2=CCCCC2)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(O)nc(=O)n1Cc1ccccc1	514295091	ISKWFHHPULZEGG-JOCHJYFZSA-N	531.613	3.445	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1	514377532	ZAUAPZJNYYBVOC-HXUWFJFHSA-N	547.674	3.163	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC1)n2C	514379096	LLHYITWBBPCBMK-UHFFFAOYSA-N	616.593	3.376	0	20	KGAD	
Cn1c(CCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514382118	GWNGXYHTZAZYBY-UHFFFAOYSA-N	561.730	3.396	0	20	KGAD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(O[C@H](C)C(=O)Nc4ccccc4OC(F)F)c3c2)C1	514386953	AOEPJWIGLADOAP-BZUAXINKSA-N	523.562	3.155	0	20	KGAD	
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1	514292603	ODGILXASDKOLGR-UHFFFAOYSA-N	514.555	3.052	0	20	KGAD	
COCCCN(C(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514295006	FLTIHYURYXQKFR-UHFFFAOYSA-N	679.432	3.183	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)CC(=O)Nc1ccccc1OC	514295381	ALPRUKCXXJGBAQ-UHFFFAOYSA-N	502.637	3.159	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1	514297709	ZNJTYRQYYKIDNY-UHFFFAOYSA-N	593.646	3.240	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3nc4ccccc4s3)CC2)cc1	514300790	QNHZONXQXZPANJ-UHFFFAOYSA-N	501.630	3.233	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)sc(C(=O)N(C)C)c1C	514300954	UPQBXXCLKXLGHN-UHFFFAOYSA-N	554.716	3.235	0	20	KGAD	
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514376702	FMOQAZZNACEHOW-IBGZPJMESA-N	560.511	3.240	0	20	KGAD	
COc1cc2ncn(CCCC(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)c(=O)c2cc1OC	514401767	DFJNGYCYMXECIL-JOCHJYFZSA-N	515.010	3.037	0	20	KGAD	
CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc1	514295941	GYIIPDFEXKTDFO-UHFFFAOYSA-N	507.103	3.115	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cccc(C)c2C)c(C(=O)OC)c1C	514380400	JURFKBCQMHORPK-MRXNPFEDSA-N	528.674	3.285	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1	514403675	YEYXQCNLKZPBSK-UHFFFAOYSA-N	538.674	3.141	0	20	KGAD	
C[C@@H]1Sc2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)cc2NC1=O	514295189	CJTQVJCCKXNMDF-KRWDZBQOSA-N	530.672	3.383	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c(O)nc1=O	514299856	JSUYQWZFHFVMQO-LJQANCHMSA-N	585.731	3.314	0	20	KGAD	
CC(C)CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc2c1=O	514299901	JZZPFHKDUQQSON-MOPGFXCFSA-N	542.123	3.383	0	20	KGAD	
CCCn1c(CSc2ccc(S(=O)(=O)N(CC)CC)cn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514300894	RYPFUDXPOXOQJT-UHFFFAOYSA-N	567.759	3.185	0	20	KGAD	
COc1cccc(-c2nnc(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccco2)c1	514374971	IUZLGWLNENJQFP-IBGZPJMESA-N	518.661	3.359	0	20	KGAD	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1	514384237	LYUCDGJVHONDCF-UHFFFAOYSA-N	555.484	3.337	0	20	KGAD	
COc1ccccc1-n1c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514404581	IRTXHEGABAHDFN-CVEARBPZSA-N	547.724	3.461	0	20	KGAD	
CC[C@@H](C)n1c(SCC(=O)N(CC)CC(=O)NC(C)C)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514293560	SREDOFNZGJCYMG-LJQANCHMSA-N	552.767	3.412	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1	514294840	BSPASJNGKUESED-PMACEKPBSA-N	565.714	3.310	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2coc3cc(C)ccc23)CC1	514295264	DVOGSQPVXSPHDA-UHFFFAOYSA-N	526.659	3.085	0	20	KGAD	
CCN(CC)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1	514377648	DCCXSJUBXCZELU-HSZRJFAPSA-N	501.649	3.058	0	20	KGAD	
COc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514379659	CHFFFPTWSGBTDH-CJNGLKHVSA-N	513.538	3.338	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c(O)nc1=O	514379971	XMPYINUQYAKKHP-QHCPKHFHSA-N	556.708	3.062	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)CCCNC(=O)c2ccsc2)CC1	514390725	UIXJIXJOBPUDHS-UHFFFAOYSA-N	535.736	3.069	0	20	KGAD	
CN(Cc1ccccc1C(F)(F)F)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C	514405718	YPSJZPPPBNMTIJ-UHFFFAOYSA-N	524.565	3.204	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1	514300446	OZMFKOBAZPKBON-UHFFFAOYSA-N	575.757	3.027	0	20	KGAD	
CC(C)OCCCn1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc2c1=O	514375684	UBLDNLHFHJNHOB-HXUWFJFHSA-N	574.725	3.352	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)N2CCCCC2)cc1	514379620	BHSFWRRDKKVJCO-UKILVPOCSA-N	501.649	3.110	0	20	KGAD	
O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1	514380308	LRIJJSLWDBVRJN-QGZVFWFLSA-N	511.978	3.004	0	20	KGAD	
O=C(CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1)Nc1ccc(OC(F)(F)F)cc1	514390077	XDGOHAJXZXNUFN-UHFFFAOYSA-N	568.618	3.085	0	20	KGAD	
C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F)C(=O)N[C@@H]1CCS(=O)(=O)C1	514402094	FHRSOPFBVKPPRX-JKSUJKDBSA-N	531.626	3.056	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1)c1c(O)nc(=O)n(CC(C)C)c1N	514293310	SXROAPAEYRYFKH-UHFFFAOYSA-N	576.745	3.462	0	20	KGAD	
O=C(Nc1nc(CN2CCOCC2)cs1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514294161	WWHWLDFXPUEFOD-UHFFFAOYSA-N	518.583	3.034	0	20	KGAD	
Cc1ccc(NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)cc1	514296782	PQRNDJTWXYAUCJ-UHFFFAOYSA-N	559.758	3.232	0	20	KGAD	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1S(=O)(=O)N1CCOCC1	514297524	XUNGXFNXJTVGRU-UHFFFAOYSA-N	681.425	3.281	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1	514297565	UXJZNCLGHMIXOE-BGYRXZFFSA-N	565.714	3.310	0	20	KGAD	
CCCc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)cc1	514380095	FFGLEZKQBWGTLE-FQEVSTJZSA-N	523.677	3.052	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)ccc2C)cc1	514387427	GPBOHRRJFNDHJY-UHFFFAOYSA-N	562.670	3.449	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)c(O)nc1=O	514296755	UMGHVTWPVNBGBK-UHFFFAOYSA-N	641.747	3.151	0	20	KGAD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1	514301055	XGIXQTVNJLQPMX-OAQYLSRUSA-N	522.675	3.289	0	20	KGAD	
CCn1c(CSc2nc3sc(C)c(C)c3c(=O)n2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375572	RXCJVVSEEHKXBU-UHFFFAOYSA-N	533.701	3.295	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2ccc(NC(C)=O)cc2)CC1	514383108	YWCWPJJQOFOSMZ-UHFFFAOYSA-N	501.653	3.070	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)NCCc1cc(Cl)c2c(c1)OCCO2)c1c(O)nc(=O)n(CCCC)c1N	514391432	JCVGOVLJZXTLDA-UHFFFAOYSA-N	564.083	3.418	0	20	KGAD	
CC(C)CCN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514393230	SSVIIMQIYPZWEP-UHFFFAOYSA-N	541.674	3.349	0	20	KGAD	
CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	514292461	LBHWOKZZEWLSJC-GJZGRUSLSA-N	525.421	3.467	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)c1	514295560	FGFYFPUSWGYQJY-INIZCTEOSA-N	512.654	3.500	0	20	KGAD	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)N1CCN(C(=O)c2ccco2)CC1	514374642	DNHYZURKEANEGV-XLIONFOSSA-N	513.595	3.321	0	20	KGAD	
COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1	514375788	VXHKCAGKDYETST-OAQYLSRUSA-N	591.687	3.024	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)C[C@@H](C)O1	514379122	MLOFNSMHXJPNPS-RHQCIEAASA-N	533.647	3.153	0	20	KGAD	
CC(C)c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1Cc1ccco1	514392329	VEZZUABSMHIORE-UHFFFAOYSA-N	529.688	3.157	0	20	KGAD	
O=C(Cn1ccc2sccc2c1=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3Cl)sc2C1	1820263625	NRRPGFABKHZFCC-GFCCVEGCSA-N	500.005	3.494	0	20	KGAD	
O=C(Cn1ccc2sccc2c1=O)N[C@H]1CCc2nc(NC(=O)c3ccncc3Cl)sc2C1	1820412765	ZNTVFHZHPPSRSY-LBPRGKRZSA-N	500.005	3.494	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)o2)c1	514291266	DGOFCFNYEBOASP-UHFFFAOYSA-N	607.759	3.049	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1	514292547	LQLYQCJYKGDJDT-UNMCSNQZSA-N	615.844	3.091	0	20	KGAD	
O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1	514293392	UOQZPWDOWHTJPT-UHFFFAOYSA-N	512.611	3.062	0	20	KGAD	
CCCOc1c(Cl)cc(C(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1OC	514301079	UTERZCIVOMSMRM-UHFFFAOYSA-N	513.012	3.301	0	20	KGAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCCN(C)C)CCCC3)[C@H]1CCS(=O)(=O)C1	514374765	HCDDQTAHDDBLHS-SFHVURJKSA-N	554.804	3.196	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1I	514378999	KTOIJLUTEQSVLX-UHFFFAOYSA-N	530.384	3.352	0	20	KGAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514403260	KSZFGBVFTLDMLZ-UHFFFAOYSA-N	571.519	3.357	0	20	KGAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)cc1	514292768	MOPZIIORIDTMDX-UHFFFAOYSA-N	534.704	3.400	0	20	KGAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1c(O)nc(=O)n(CCCC)c1N	514294981	DZGOEGUEWVPRIP-UHFFFAOYSA-N	590.566	3.389	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1	514385579	NBXWGSRQPUMHQX-UHFFFAOYSA-N	533.672	3.073	0	20	KGAD	
O=C(CN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)CC1)Nc1ccccc1C(F)(F)F	514386040	ZRDQWASCWIIDEB-LJQANCHMSA-N	589.640	3.469	0	20	KGAD	
Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCN([C@H](C)C(=O)NC6CC6)CC5)C4=O)cc3)sc2c1	514391394	IVUDYOZAHVYHES-JPYJTQIMSA-N	517.655	3.188	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514378666	UVYSVNZJEWCVCL-HYBUGGRVSA-N	603.616	3.317	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C	514391541	MHCVZHAAVDMCGH-IBGZPJMESA-N	512.632	3.006	0	20	KGAD	
Cc1ccc(-c2cnc(CCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)o2)cc1	514393400	ZOUVNLQRVPIKNH-UHFFFAOYSA-N	540.642	3.079	0	20	KGAD	
COc1cc(C)c(CN2CCN(C(=O)CSc3nnc(-c4ccncc4)n3C3CC3)CC2)cc1OC	514403519	LTJKQOWFEGYRHB-UHFFFAOYSA-N	508.648	3.437	0	20	KGAD	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514404444	IABOFCPLNDCWBY-FCHUYYIVSA-N	530.647	3.360	0	20	KGAD	
Cn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514295975	MULVFZWDLQLTJQ-UHFFFAOYSA-N	687.772	3.118	0	20	KGAD	
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1	514299042	CPXZJUZTLRJPLQ-UHFFFAOYSA-N	522.693	3.208	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)ccc2OC)cc1Br	514299867	JPIFCONGMREUSW-UHFFFAOYSA-N	595.472	3.460	0	20	KGAD	
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514300720	RKTSRWKVMXQNPZ-UHFFFAOYSA-N	563.529	3.349	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3c(O)nc(=O)n(CC(C)C)c3N)n2CC(C)C)c1	514301948	IVSDSJSBJHQVKR-UHFFFAOYSA-N	591.760	3.107	0	20	KGAD	
CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514379156	NQDOEXNYWVWBPN-FQEVSTJZSA-N	529.606	3.090	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(O)nc1=O	514385829	WFISATOXBYFVTM-UHFFFAOYSA-N	551.688	3.457	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1	514389026	XPZUTPSJPINWGY-DNVCBOLYSA-N	506.053	3.499	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2nnc(C3CC3)s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291507	FNWNXQOBOGYNPY-UHFFFAOYSA-N	518.665	3.158	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCC1=CCCCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514297128	XKBVAXAAOKPYJN-UHFFFAOYSA-N	607.733	3.446	0	20	KGAD	
CCOc1ccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1S(=O)(=O)N1CCCCC1	514298655	DUEDVQYEKDTLDH-LJQANCHMSA-N	691.872	3.242	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ncnc2sc3c(c12)CCC3	514375392	OQXSEQRWOMNUCM-UHFFFAOYSA-N	502.618	3.381	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC	514380578	NIECMLXBYPODTJ-UHFFFAOYSA-N	518.636	3.233	0	20	KGAD	
CC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1ccc(Br)cc1	514384903	WDCWDCMSKRHXKQ-MRXNPFEDSA-N	579.336	3.374	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1	514392426	VWZNTEMTNAAXIV-UHFFFAOYSA-N	526.011	3.038	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)ccc1C	514402143	GKJPYYJDKUBSSY-UHFFFAOYSA-N	519.664	3.009	0	20	KGAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)c1	514403691	YUONHHDPAYXUNQ-UHFFFAOYSA-N	547.699	3.412	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c3nccc-3c1Cl)CC2	1815627814	LKYXEDWEZNDLCG-NSHDSACASA-N	500.009	3.433	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293387	QSPWGIGDOKSYGW-QGZVFWFLSA-N	516.645	3.399	0	20	KGAD	
C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1	514293868	ULASSEOWSQZBRN-SJORKVTESA-N	500.600	3.087	0	20	KGAD	
O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514301928	IEBDQDVGLYPNOC-UHFFFAOYSA-N	585.548	3.411	0	20	KGAD	
COc1ccc(CC(=O)N(CCC2=CCCCC2)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1S(=O)(=O)N1CCOCC1	514379025	LMZAFVYTGSGYGG-UHFFFAOYSA-N	637.759	3.075	0	20	KGAD	
Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCN([C@@H](C)C(=O)NC6CC6)CC5)C4=O)cc3)sc2c1	514391392	IVUDYOZAHVYHES-FDDCHVKYSA-N	517.655	3.188	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1	514393072	MUTIPHRVVASYJW-UHFFFAOYSA-N	511.666	3.445	0	20	KGAD	
N[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3snnc3c1)CC2)c1cccc(Cl)c1	1815047388	FUHVPRKGMQFFOH-SUMWQHHRSA-N	500.009	3.122	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc2OC)cc1Br	514298223	XIGGSPOXMBXBRU-DEOSSOPVSA-N	639.569	3.309	0	20	KGAD	
CNC(=O)C1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(OC(F)F)c(OC)c2)CC1	514302012	ABPNMKQVIINFLF-GOSISDBHSA-N	506.575	3.494	0	20	KGAD	
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1	514390597	QFSRULNWYOAFFB-TWJOJJKGSA-N	501.631	3.183	0	20	KGAD	
COc1ccc(CN(C)C(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)cc1OC	514394502	WTLZSNXIXZCPEQ-FQEVSTJZSA-N	503.669	3.461	0	20	KGAD	
CCOC(=O)c1c(NC(=O)Cn2ncc(Br)c(Br)c2=O)sc2c1CCC2	514394981	ZIYDSKCFASXSSO-UHFFFAOYSA-N	505.188	3.134	0	20	KGAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)Nc1ccccc1C(F)(F)F	514298174	ZOJGOYYVMGYZKB-UHFFFAOYSA-N	512.554	3.377	0	20	KGAD	
C[C@@H]1CCc2c(sc3nc(SCC(=O)N(C[C@@H]4CCCO4)[C@H]4CCS(=O)(=O)C4)n(C[C@@H]4CCCO4)c(=O)c23)C1	514300267	MSDOJRTYBLZUSW-FYQPLNBISA-N	595.809	3.049	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc(-c3ccc(OC)c(OC)c3)n1CCCOC)n2C	514303380	LLAOYMHYYGERJI-UHFFFAOYSA-N	543.650	3.240	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1	514380937	SBGJAIZNCIAWGU-UHFFFAOYSA-N	509.650	3.199	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1	514384313	NXOFLRWCDUNMCB-IBGZPJMESA-N	558.520	3.345	0	20	KGAD	
COc1ccc(COC[C@@H](O)CSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1	514388122	VIJAOXKAXSETAY-XMMPIXPASA-N	543.711	3.267	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)s1	514403087	HROKVFOTUQKJEL-UHFFFAOYSA-N	542.477	3.234	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(c3cccc(OC)c3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514293668	VBMPZXAGGCPYFI-UHFFFAOYSA-N	527.691	3.377	0	20	KGAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)N2CCCCC2)cc1	514303416	MNTQYVGOFCNZGN-VWLOTQADSA-N	543.686	3.211	0	20	KGAD	
CCC(CC)c1nnc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)s1	514378195	AWRNSQCNMXICRK-UHFFFAOYSA-N	520.681	3.404	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)c(O)nc1=O	514385595	NPGRWLPHTYIMSJ-UHFFFAOYSA-N	512.636	3.301	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nc1	514388545	OVDJXCFFMJUAKU-CQSZACIVSA-N	535.113	3.135	0	20	KGAD	
CCc1cccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)c1	514404432	HDOVKQZWYBQXHW-MRXNPFEDSA-N	528.674	3.231	0	20	KGAD	
CC(=O)N[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O	144139955	GVOISEJVFFIGQE-YCZSINBZSA-N	506.573	3.427	0	20	KGAD	
O=C(Nc1nc(-c2cccnc2)cs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514379298	PCIHKHKYDFGKET-UHFFFAOYSA-N	513.645	3.469	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1	514402411	IMEVSFDZBUNCQT-UHFFFAOYSA-N	633.837	3.101	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(C(=O)NC4CCN(C5CC5)CC4)c3c2)cc1	514403371	UGKVNLVYOPJJNH-UHFFFAOYSA-N	510.616	3.497	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	514294845	BVKCICHZPWKRKX-UHFFFAOYSA-N	551.687	3.305	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCN(CC(=O)Nc3c(C)cccc3C)CC1)n2CC(C)C	514299506	GRPUFHPIJXCAEH-UHFFFAOYSA-N	565.719	3.087	0	20	KGAD	
CCCn1c(SCC(=O)N(CC)Cc2ccc(OC)c(OC)c2)nc2cc(S(N)(=O)=O)ccc21	514386451	PRQLZBYFVVATFU-UHFFFAOYSA-N	506.650	3.252	0	20	KGAD	
CSCC[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	514387513	INYRZPRVCNTJDF-JFIYKMOQSA-N	562.541	3.123	0	20	KGAD	
CC(C)N(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(C)C	514387666	HWSNROCSTPQMDP-SFHVURJKSA-N	516.689	3.413	0	20	KGAD	
O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514401824	FXALYAFDEUWDDL-HHHXNRCGSA-N	577.147	3.155	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCN(C(C)C)C(C)C)cc1S(N)(=O)=O	514299902	KEUZMCFHTSOESP-UHFFFAOYSA-N	531.704	3.202	0	20	KGAD	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3nnn(OCc4nnc(-c5ccc(Cl)cc5)o4)c3c2)C1	514376140	CRXUEKTUFYIFTE-GJZGRUSLSA-N	502.984	3.430	0	20	KGAD	
O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1	514380951	SVQZQGQDKQZZEZ-UHFFFAOYSA-N	515.632	3.024	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)c(C)c2)CC1	514384922	WTWNJVUWKXUBAE-OAQYLSRUSA-N	626.823	3.119	0	20	KGAD	
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N(C[C@H]1CCCO1)c1nc2ccccc2s1	514293486	RDOCTOOLMCJOMT-MRXNPFEDSA-N	507.659	3.133	0	20	KGAD	
CC(C)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514294136	WNXRVNFACFNINZ-UHFFFAOYSA-N	625.748	3.221	0	20	KGAD	
CCCCN(C(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1c(O)nc(=O)n(CC(C)C)c1N	514296778	UUEPPYOQXUPWSA-AVRWGWEMSA-N	517.627	3.050	0	20	KGAD	
O=C(CSCc1cccc(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514304412	SVPNICLJDDVVBX-UHFFFAOYSA-N	526.080	3.069	0	20	KGAD	
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21	2088642677	VTANYEMZGSDXEE-UHFFFAOYSA-N	884.026	3.216	0	20	KGAD	
CC(C)n1c(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc2c1=O	514291540	GVCLVOVBJPVZIP-KRWDZBQOSA-N	516.645	3.118	0	20	KGAD	
COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CSc2nc(O)c3c4c(sc3n2)CCCC4)c1C(=O)OC	514303411	MLIKUEXZFJQVLL-UHFFFAOYSA-N	565.651	3.357	0	20	KGAD	
Cc1sc2nc(SCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)n(C)c(=O)c2c1C	514374460	CAXZYGKGCYOOPN-UHFFFAOYSA-N	543.092	3.017	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)o1	514384454	SDTLTVXJNNYLDN-OAQYLSRUSA-N	546.627	3.496	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)N(CCOC)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccc(C)c2)cc1	514385199	CCQSXPCJHJBNQC-QFIPXVFZSA-N	544.699	3.396	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(O)nc1=O	514385694	RHEVJWWTFDEBQG-UHFFFAOYSA-N	537.661	3.067	0	20	KGAD	
CC1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)CC1	514293824	WNNJVMOZPSEHSR-SFHVURJKSA-N	514.673	3.026	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c(O)nc1=O	514298817	HAUBBIRGBCMBEE-UHFFFAOYSA-N	599.710	3.177	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)c2)C[C@H](C)O1	514300331	OWAXNUBTGBTYAX-IRXDYDNUSA-N	516.645	3.183	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccccc1	514374771	GTOAXGGYSGCSSK-SFHVURJKSA-N	515.661	3.414	0	20	KGAD	
COc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2Cl)cc1S(=O)(=O)N1CCOCC1	514391633	MMKDWMKPLHOABP-UHFFFAOYSA-N	507.918	3.439	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)c(O)nc1=O	514296435	PQTZBOJCBDNTPV-UHFFFAOYSA-N	601.774	3.404	0	20	KGAD	
CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	514381388	CUQSVNDBIWQINE-DHUDBDOYSA-N	500.665	3.453	0	20	KGAD	
CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1	514382765	DLTORYGWOFKVHH-UHFFFAOYSA-N	536.724	3.036	0	20	KGAD	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	514386066	BOHWUMKNNKICTI-UHFFFAOYSA-N	575.160	3.283	0	20	KGAD	
NC(=O)c1nn(-c2ccc(C(=O)NCCCCCNCCNc3cccc4c3C(=O)N([C@@H]3CCC(=O)NC3=O)C4=O)cc2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1	2048541386	AFCBPOSVCVAUDT-SSEXGKCCSA-N	898.860	3.251	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cc(C(F)(F)F)ccc1Cl	514381390	CVHAYBIWMKJNIS-UHFFFAOYSA-N	508.902	3.406	0	20	KGAD	
NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(CNC(=O)C4CNC4)ccc23)c1	2048532628	WDQKQCWRQIVDBA-UHFFFAOYSA-N	579.670	3.265	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)CC2)cc1	514300112	SYKPTCOIDXREPH-UHFFFAOYSA-N	534.078	3.167	0	20	KGAD	
CCN(C(=O)CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	514375100	KRMCHKMRQZBUFN-MRXNPFEDSA-N	539.477	3.477	0	20	KGAD	
COc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514388533	ZXFFFSHXMGDJGM-IAGOWNOFSA-N	506.621	3.318	0	20	KGAD	
Cc1cc(C)c2c(NC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)c(C(=O)N3CCOCC3)sc2n1	514389757	LYDDKOJWLZHVCO-QZXCRCNTSA-N	541.674	3.461	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1	514391933	QKGZUFVFCYCPTR-FQEVSTJZSA-N	540.665	3.269	0	20	KGAD	
Cc1c(NC(=O)[C@H](C)Sc2nnc(N3CCCC3)n2Cc2ccco2)c(=O)n(-c2ccccc2)n1C	514394339	UKMLQEBUGMAWFV-SFHVURJKSA-N	507.620	3.437	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)n2c1	514395648	PJITXQGGBYGSOP-OAHLLOKOSA-N	505.622	3.040	0	20	KGAD	
O=C(CSc1ncccn1)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4cc(Cl)ccc34)sc2C1	1819275475	SDTPBIMDKYUAPD-LBPRGKRZSA-N	500.009	3.481	0	20	KGAD	
O=C(Cn1cnc2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514293224	SSEWTZHYVGUEDT-UHFFFAOYSA-N	509.632	3.200	0	20	KGAD	
COc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)cc(Cl)c1O	514381562	JGHRSZXPXQVLFK-INIZCTEOSA-N	507.996	3.271	0	20	KGAD	
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514386952	AMBHZJRZSBRQSS-UHFFFAOYSA-N	590.768	3.054	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nc3ccccc3c(=O)n1CCCCCC(N)=O)n2CC	514394300	SMXKWDHLHNMIMY-UHFFFAOYSA-N	539.662	3.167	0	20	KGAD	
O=C(CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)NCCc1ccc(OC(F)F)cc1	514400791	AGRVFYUPXHXLOS-UHFFFAOYSA-N	530.494	3.102	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSc2nnc(C3CC3)n2C)c1	514405277	VJKYPPLJGHFIPS-UHFFFAOYSA-N	506.698	3.444	0	20	KGAD	
C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)C1	514292405	LWHGGSZSYZONRH-BGYRXZFFSA-N	559.714	3.204	0	20	KGAD	
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)cc1	514292791	MZYGSDBEQSERTO-RTBURBONSA-N	523.677	3.124	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)N(Cc2ccc(OC)cc2)C2CC2)c(C(=O)OC)c1C	514401576	ZVYLPVWFVCOBSU-IBGZPJMESA-N	584.738	3.230	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cn3cc(Cl)ccc3n1)CC2	1815631119	YFOZKLBUPLNBQT-CYBMUJFWSA-N	500.009	3.252	0	20	KGAD	
O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1	28433805	KZZOIPYAMLJSEE-CMDGGOBGSA-N	500.005	3.439	0	20	KGAD	
COc1ccc(C)cc1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514301107	WCWYIQBKQGRQAZ-UHFFFAOYSA-N	502.511	3.147	0	20	KGAD	
CCCN(C(=O)CSc1nnc(NCC(C)C)s1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514387346	DGHRENORUUNRMN-UHFFFAOYSA-N	503.654	3.034	0	20	KGAD	
COc1ccc(NC(=O)CSc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccco2)cc1S(=O)(=O)N(C)C	514393089	NIBUWDHIPFHUGE-QGZVFWFLSA-N	548.691	3.145	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1	514401317	SYCCAVQFYCGMCV-UHFFFAOYSA-N	582.726	3.382	0	20	KGAD	
CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1	514402653	QOTNQUDUEOYGJJ-ROUUACIJSA-N	523.677	3.302	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1-c1ccc(F)cc1)N(C)C	514404566	IKSKAJSKTKQQOP-INIZCTEOSA-N	585.102	3.447	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	514379204	PHAWIKYNPZOSKO-WOJBJXKFSA-N	565.714	3.310	0	20	KGAD	
CCn1c(SCC(=O)N[C@H](C)c2ccccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514383307	GJKUKAHVQWWIRC-QGZVFWFLSA-N	518.661	3.055	0	20	KGAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)NCc3ccc(C(=O)N(C)C)cc3)nc(=O)c2c1C	514395150	DGSYCBLBQAIWGA-UHFFFAOYSA-N	516.645	3.111	0	20	KGAD	
CC[C@@H](c1nnc(SCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)n1CCN1CCOCC1)N(C)C	514291456	FLMBNXZKGPXZBN-DEOSSOPVSA-N	604.847	3.460	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)CC2)cc1	514292469	MMRUHZYPLRDVCD-UHFFFAOYSA-N	526.080	3.472	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	514295140	BCSOAQVJNFOPRE-HNNXBMFYSA-N	505.618	3.180	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccco2)sc(C(=O)NC)c1C	514376674	PSQPLIZCDRDFRO-UHFFFAOYSA-N	503.606	3.434	0	20	KGAD	
Cc1cccc(N2C[C@H](C(=O)N(CC(C)C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)CC2=O)c1C	514377766	IEMYGYFEPDNISE-OAQYLSRUSA-N	503.603	3.238	0	20	KGAD	
CCOc1ccccc1C(=O)NCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514387418	GBDVJWIZGOPCCI-UHFFFAOYSA-N	573.590	3.196	0	20	KGAD	
Cc1c(Cl)cccc1-n1c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccncc1	514387700	IVCNYKIREUFHIF-NVXWUHKLSA-N	506.053	3.417	0	20	KGAD	
O=C(CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	514390914	BEACNLROQPRWPR-UHFFFAOYSA-N	568.527	3.363	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c(O)nc1=O	514402380	HHNJNDKVSXRQRQ-SFHVURJKSA-N	543.646	3.334	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	514294089	VNRVERXZVRRFDE-SFHVURJKSA-N	518.661	3.281	0	20	KGAD	
COCCCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514294279	ZCFFVRHFTCMAOM-UHFFFAOYSA-N	623.654	3.069	0	20	KGAD	
COc1ccc(CNC(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1OC	514387058	AOQSYLGIDYJAKR-SFHVURJKSA-N	529.638	3.231	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCCc3cc(S(=O)(=O)N4CCCC4)ccc31)n2CC(C)C	514387620	KYMQGGNPOJMGHW-UHFFFAOYSA-N	584.743	3.451	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)CC2)cc1	514388588	QAMLDTLZNBUINY-VWLOTQADSA-N	511.644	3.202	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	514404608	JTWHLBWKYLNVHP-PMACEKPBSA-N	535.688	3.220	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2OC)cc1Br	514297734	UIRFIQOMEZQBBG-IRXDYDNUSA-N	580.457	3.381	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1	514303403	MDLAITKENWJUPK-UHFFFAOYSA-N	552.049	3.023	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O	514382999	APMNBSKREAWWBY-ORAYPTAESA-N	545.386	3.140	0	20	KGAD	
CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1S(=O)(=O)N1CCCCC1	514386574	TXQNZYZXMWZOIH-UHFFFAOYSA-N	505.622	3.379	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	514388119	PBKGQQNUNOSJFC-UHFFFAOYSA-N	577.622	3.168	0	20	KGAD	
COc1ccccc1NC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(OC[C@@H]3CCCO3)cc2)c1=O	514394128	QHFFSWUNDMZNKN-QFIPXVFZSA-N	550.677	3.339	0	20	KGAD	
O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	514394882	VOFKEFYVYPOMND-IBGZPJMESA-N	542.521	3.060	0	20	KGAD	
Cc1ccc(NC(=O)[C@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1	514403126	IVBXEJYVOKZUMS-SFHVURJKSA-N	515.661	3.083	0	20	KGAD	
COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)CC2=O)cc1OC	514405697	YJXDZJLTDMXVFQ-SFHVURJKSA-N	510.616	3.180	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2cncc(Br)c2)CC1	15356744	BDYPQXONBSDROG-UHFFFAOYSA-N	524.485	3.269	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2C[C@H]2CCCO2)cc1	514291840	JJNTUZMRHHJEKW-HSZRJFAPSA-N	587.724	3.193	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299377	DLFZOZUOIXGBGL-QZTJIDSGSA-N	566.076	3.465	0	20	KGAD	
CCCCn1c(SCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)nnc1-c1ccc(OC)cc1	514382300	IIKCYKBLWSKHDL-SFHVURJKSA-N	518.665	3.349	0	20	KGAD	
C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514389520	IAZPTNVDEKRVOG-RDJZCZTQSA-N	511.695	3.423	0	20	KGAD	
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)CC2)cc1	514392455	WINPCPAKUMYBSK-UHFFFAOYSA-N	579.649	3.190	0	20	KGAD	
COCCCn1c(S[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nc2cc(C(=O)OC)ccc2c1=O	514395352	IRHXBXSTGQWPLO-SIKLNZKXSA-N	538.670	3.091	0	20	KGAD	
C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1	514293593	VWTHZPZFQNHMAI-XXBNENTESA-N	559.714	3.394	0	20	KGAD	
CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	514401686	BYZXNRLJSOBGDN-OAQYLSRUSA-N	546.665	3.405	0	20	KGAD	
COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)NC(=O)N[C@H](C)COC	514293341	QNCAHKGGSYKLJZ-GOSISDBHSA-N	513.620	3.123	0	20	KGAD	
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	514378975	LBDZOKCPGCPWMN-HDICACEKSA-N	505.662	3.354	0	20	KGAD	
CCCCN1C(=O)CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)[C@H]1c1ccccc1OC	514389765	MBHLPUSXWFTOOX-SQJMNOBHSA-N	577.725	3.156	0	20	KGAD	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1S(=O)(=O)N1CCCCC1	514296109	LZBVHRPYKRLEAF-UHFFFAOYSA-N	557.641	3.187	0	20	KGAD	
Cn1c(CCC(=O)Nc2ccccc2N2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514302757	SCODWIZHIDFYTC-UHFFFAOYSA-N	511.648	3.156	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)N2CCOCC2)cc1	514376994	JQSUSWSZIJNDJF-NBGIEHNGSA-N	501.649	3.062	0	20	KGAD	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c(O)nc1=O	514378144	SLGAUJZHOXWZGN-UHFFFAOYSA-N	597.738	3.045	0	20	KGAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514378760	WQWBMSRXFPJQNN-RPLLCQBOSA-N	526.634	3.028	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(OCC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514378919	ZGBYMNFMINVZEK-UHFFFAOYSA-N	500.621	3.437	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1	514394600	PAYFGGBRUKVTAQ-NRFANRHFSA-N	504.609	3.035	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1	514402609	PQAAYAUEKLBOCM-UHFFFAOYSA-N	563.746	3.142	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2OC)ccc1C	514293588	WCDDZHITLOCEAV-INIZCTEOSA-N	504.638	3.129	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1	514294370	XTVFGJYYOHOLQQ-HFJWLAOPSA-N	528.631	3.350	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	514294727	AGDXGBDXVIIMSC-ZJOUEHCJSA-N	537.704	3.105	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2nc(-c3ccc(Br)s3)cs2)c(O)nc1=O	514301848	DXFZYAJQRVAVNQ-UHFFFAOYSA-N	585.506	3.287	0	20	KGAD	
CCCCN(C(=O)CCSCC(=O)Nc1ccc(C(=O)OCC)cc1)c1c(O)nc(=O)n(CCC)c1N	514378631	GISUSMZXRRTEEX-UHFFFAOYSA-N	533.651	3.013	0	20	KGAD	
Cn1c(CCC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514378900	JOWADJJRWMOCLC-UHFFFAOYSA-N	627.711	3.232	0	20	KGAD	
CCOc1ccc(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)cc1S(=O)(=O)N1CCCCC1	514385498	JMSCXJXIOJVNIL-UHFFFAOYSA-N	518.665	3.218	0	20	KGAD	
COc1ccc(C(=O)N2CCN(CCN3CCCC3)CC2)cc1S(=O)(=O)Nc1ccc(Br)cc1	514388215	QZYKMBWMYLQZRS-UHFFFAOYSA-N	551.507	3.112	0	20	KGAD	
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1cccc(S(N)(=O)=O)c1	514401522	YEFVDRUWQXSJFN-CYBMUJFWSA-N	554.012	3.284	0	20	KGAD	
O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1	514290893	ABAXGCFDZXHVHX-VXKWHMMOSA-N	541.626	3.004	0	20	KGAD	
CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)c(C(=O)OCC)c1C	514293299	PHAWGYBVIDZMHZ-UHFFFAOYSA-N	566.654	3.236	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc3ccccc3)c1N)n2CC	514376541	NPMLPQYKTSYTPB-UHFFFAOYSA-N	657.819	3.141	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1	514377191	MJJACBDTGWYBLM-UHFFFAOYSA-N	548.731	3.357	0	20	KGAD	
O=C(CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCCC1	514380212	ZXFQQDVIVZBAHA-UHFFFAOYSA-N	558.545	3.372	0	20	KGAD	
O=S(=O)(c1ccc2c(c1)nc(-c1ccc(O)c(Br)c1)n2C[C@H]1CCCO1)N1CCOCC1	514381461	GBOWWEXPRGMVHJ-MRXNPFEDSA-N	522.421	3.371	0	20	KGAD	
CCOCCCn1c(S[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514387642	HAQUODHQOYESMA-NVXWUHKLSA-N	560.536	3.102	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)c(O)nc1=O	514393344	XJWUEIWMXHFQTM-JOCHJYFZSA-N	521.618	3.449	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCC[C@H]2c2cccc(OC)c2)c(O)nc1=O	514393421	ALHHZYCRQWTOCE-NRFANRHFSA-N	513.639	3.473	0	20	KGAD	
Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)CC3)c2c1C	514394029	GFKNGLUKKHAYQE-UHFFFAOYSA-N	533.651	3.323	0	20	KGAD	
O=C(CSc1nc[nH]n1)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(Cl)ccnc4c3)sc2C1	1823899949	CPQKVHNCHDOUEM-GFCCVEGCSA-N	500.009	3.481	0	20	KGAD	
O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514296085	OXKREYJFASMZBW-UHFFFAOYSA-N	580.487	3.193	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)NCC(=O)Nc1cc(C)ccc1OC	514298850	AAVMLCAROPWZNU-UHFFFAOYSA-N	533.695	3.047	0	20	KGAD	
O=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	514301031	WGDUTLSHONEERT-QGZVFWFLSA-N	514.376	3.313	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)s1	514303751	YSNUQILUEAFMHY-SFHVURJKSA-N	598.632	3.258	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1	514386999	CBLWORKKEDDSHG-UHFFFAOYSA-N	534.704	3.500	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1	514389164	AUVSHVWUWUSARE-AREMUKBSSA-N	559.710	3.196	0	20	KGAD	
C[C@H](NC(=O)CSCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1	514390946	CXXCMOVRYTUXGG-KRWDZBQOSA-N	543.505	3.459	0	20	KGAD	
COc1ccc2c(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3NC[C@@H]3CCCO3)coc2c1	514402050	KSJNHYGAUROPRC-FQEVSTJZSA-N	529.615	3.234	0	20	KGAD	
Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n1Cc1ccccc1	514290934	BIXVHPYVNWQGCZ-ROUUACIJSA-N	515.661	3.164	0	20	KGAD	
O=C(NCc1ccccc1CN1CCOCC1)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1	514383399	IPKZPZKUNXJPAP-UHFFFAOYSA-N	542.680	3.211	0	20	KGAD	
CC(C)Cn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1Cl	514386275	IYWOGOQQTYHYAU-UHFFFAOYSA-N	500.452	3.317	0	20	KGAD	
O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)Nc1ccc(Br)c(C(F)(F)F)c1	514391542	LAWCHINMZUBWTB-UHFFFAOYSA-N	505.379	3.427	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)sc2c1CCS(=O)(=O)C2	514392892	GQVTUQDLULZSAL-OAHLLOKOSA-N	508.593	3.026	0	20	KGAD	
COc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514299941	LKAMBPWRBHLCDA-NHCUHLMSSA-N	556.729	3.375	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	514377151	YWUKKHCJXRINLT-UHFFFAOYSA-N	576.741	3.125	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(O)nc1=O	514383491	JYENCXIKYICGAQ-UHFFFAOYSA-N	573.459	3.372	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN(C)Cc2ccc(OC(F)F)c(OC)c2)c1	514404797	NDBPSUGNJUKRDC-UHFFFAOYSA-N	515.579	3.406	0	20	KGAD	
COCCCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccccc1Cl	514374763	GTDYBFVXWAKHGV-UHFFFAOYSA-N	596.131	3.395	0	20	KGAD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC	514387190	KPNUUIGDFCIELC-OAQYLSRUSA-N	500.592	3.232	0	20	KGAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cnn(-c3ccccc3)c2)CC1	514387968	KQYWMPJCFRKULM-UHFFFAOYSA-N	508.648	3.051	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1cccc(Br)c1	514402804	DYLGTXLMNXVCJV-GOSISDBHSA-N	524.437	3.313	0	20	KGAD	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)n2C[C@H]2CCCO2)cc1	514403953	UXFOBYJPHBEDIT-GHTZIAJQSA-N	525.631	3.191	0	20	KGAD	
COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NC34CC5CC(CC(C5)C3)C4)c2=O)cc(OC)c1OC	514296146	GKTCWHSFUUEEHC-UHFFFAOYSA-N	568.736	3.245	0	20	KGAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)NCC1(N2CCOCC2)CCCCC1	514385751	TUVRZSFCKGRWRZ-LJQANCHMSA-N	505.710	3.429	0	20	KGAD	
O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1	514394965	YECFCKMUBKGCAV-FQEVSTJZSA-N	512.657	3.411	0	20	KGAD	
CCCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)nc2cc(S(N)(=O)=O)ccc21	514395147	DGJSLCKHQWRMCC-GJZGRUSLSA-N	504.634	3.223	0	20	KGAD	
CNS(=O)(=O)c1cc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCO2)ccc1C	514404803	NEWFXHYRVIBMDJ-HXUWFJFHSA-N	531.660	3.080	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)CC2)c(OC)c1OC	514302168	CRAPRFKMDYOSAX-NHCUHLMSSA-N	545.702	3.337	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCN(c3ccccc3OC)CC1)n2CC(C)C	514377583	AMRYELGGFIGYNI-UHFFFAOYSA-N	510.639	3.045	0	20	KGAD	
COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1	514385553	MDEDSPNYJNLATG-QFIPXVFZSA-N	518.632	3.485	0	20	KGAD	
CCC(C)(C)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1	514395094	CEIZWWRKPSOVQJ-MRXNPFEDSA-N	502.662	3.072	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cc1	514294834	CEVRVGIRNPZFRH-KBMIEXCESA-N	549.715	3.340	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1cc(Cl)ccc1Cl	514296050	JCLWFINLBXYYRI-UHFFFAOYSA-N	500.404	3.103	0	20	KGAD	
O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	514296492	RFLLUIMERIIXPU-FQEVSTJZSA-N	509.422	3.154	0	20	KGAD	
CCCN(CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)CC(=O)Nc1ccccc1OC	514297233	OXTQLXAPTAYFTG-UHFFFAOYSA-N	511.044	3.278	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N(C)C	514298042	ZTQDKLPHVQPDOS-UHFFFAOYSA-N	516.041	3.026	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2cccc(NC(C)=O)c2)CC1	514382537	OPGNVPSFZBOTBJ-UHFFFAOYSA-N	501.653	3.070	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1	514389165	AUVSHVWUWUSARE-SANMLTNESA-N	559.710	3.196	0	20	KGAD	
CCCn1c(CSCC(=O)N(C)C2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401487	WKGPGYPDQATKSF-UHFFFAOYSA-N	508.710	3.492	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)COC	514374968	ISPVBUPLHSNNOH-HXUWFJFHSA-N	603.767	3.202	0	20	KGAD	
COc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514379661	CHFFFPTWSGBTDH-XJKSGUPXSA-N	513.538	3.338	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1)c1cncc(Br)c1	514390287	DYTOYDXWNNMKSW-UHFFFAOYSA-N	523.453	3.498	0	20	KGAD	
Cn1c(SCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nnc1[C@@H]1COc2ccccc2O1	514402679	KOVDADXJXMCFKQ-NRFANRHFSA-N	529.644	3.233	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514303011	IRYXYCBRDUSNGX-UHFFFAOYSA-N	504.634	3.125	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	514303756	YTDKZWUGZILLSE-UHFFFAOYSA-N	563.698	3.077	0	20	KGAD	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514376971	VWIOBZZEPAIORD-UHFFFAOYSA-N	533.594	3.304	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1	514376993	WCPNNQVMLKQMFK-UHFFFAOYSA-N	622.791	3.458	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1	514391020	DSQMJEGVQAEMSY-MRXNPFEDSA-N	516.451	3.147	0	20	KGAD	
O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514393078	NADYCMCFPWBGDM-UHFFFAOYSA-N	507.037	3.005	0	20	KGAD	
O=C(NC[C@H](c1ccccc1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514402304	NXIPTSPERQMOEB-JOCHJYFZSA-N	525.593	3.296	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC)sc(C(=O)N(C)C)c1C	514294362	XMDMJBNFYGLAOC-UHFFFAOYSA-N	546.671	3.412	0	20	KGAD	
CC(C)CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc2c1=O	514374700	GGCYLFAOFCKZEV-UHFFFAOYSA-N	530.672	3.194	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1	514381990	CLPFRXQNJVXVPU-UHFFFAOYSA-N	512.676	3.210	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1	514405156	REDXAXGQKOFARW-PKOBYXMFSA-N	515.657	3.301	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c(O)nc1=O	514294850	CFUOVZRNZGLRIK-FQEVSTJZSA-N	519.602	3.235	0	20	KGAD	
COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)N2CCOCC2)cc1	514376995	JQSUSWSZIJNDJF-NLFFAJNJSA-N	501.649	3.062	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)N2CCCCC2)cc1	514379618	BHSFWRRDKKVJCO-ILBGXUMGSA-N	501.649	3.110	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cc(OC)c(OC)cc3C)CC2)c(C(=O)OC)c1C	514384049	KXZLMFRJVIGUJF-UHFFFAOYSA-N	582.697	3.015	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCN(C)CC3)c2C1	68206770	GNGWWPQYKWZIFS-UHFFFAOYSA-N	508.022	3.281	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1nc2ccccc2[nH]1	514379179	OLBXXUHRNWLHQI-UHFFFAOYSA-N	504.634	3.243	0	20	KGAD	
CCCCN(C(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514386897	HYMQVDHQQHDUKV-AJTFRIOCSA-N	500.661	3.467	0	20	KGAD	
CCOc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1S(=O)(=O)N1CCOCC1	514393482	CKHORJGDQZPGSP-UHFFFAOYSA-N	514.579	3.172	0	20	KGAD	
O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514395742	RTRAWHYGKUCQAE-YLJYHZDGSA-N	542.521	3.101	0	20	KGAD	
Cc1oc(C(=O)N2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1	514402530	BSRPZFPQTSDMDY-MHZLTWQESA-N	550.681	3.188	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1S(=O)(=O)N1CCCC1	514379308	PUUGXEJPBZGWNC-UHFFFAOYSA-N	521.661	3.153	0	20	KGAD	
O=C(CSCc1nc(O)c2c3c(sc2n1)CCC3)Nc1ccc(NC(=O)CN2CCOCC2)cc1	514394705	ZFXBPPXTQBTIHR-UHFFFAOYSA-N	513.645	3.028	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)CC2)cc1C	514292770	MRBKBZIXPHGWGU-UHFFFAOYSA-N	507.678	3.372	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](CSC)N3C(=O)[C@H]4CCCC[C@H]4C3=O)ccc2OC)cc1	514295812	FTXZCOINPUXOOI-QHAWAJNXSA-N	561.682	3.350	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)CC2)c(C(=O)OC)c1C	514384514	URPGUZIFANHJEK-SFHVURJKSA-N	584.738	3.300	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc(N3CCCCC3)n1C[C@@H]1CCCO1)n2CC	514392945	IKATVABCVZUZKI-KRWDZBQOSA-N	516.672	3.172	0	20	KGAD	
COc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc(OC)c1OC	514394994	ZULVMJHKUCLHHW-AWEZNQCLSA-N	533.466	3.254	0	20	KGAD	
CCCCCn1nc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)c2ccccc2c1=O	514294918	DDVDEJOWHMNUOV-UHFFFAOYSA-N	537.642	3.360	0	20	KGAD	
CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n3c(CN4CCC(C(=O)N(C)C)CC4)nnc23)cc1	514380730	OJCDOVQKARJBHP-UHFFFAOYSA-N	509.010	3.386	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N2CCC(C(=O)N3CCCCC3)CC2)c1	514380772	PTGVUOQUIFAHMN-SFHVURJKSA-N	513.104	3.422	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)N(CC)c2nc3ccccc3s2)n1CCN1CCOCC1)N(C)C	514382977	AEHHLEKXBVMZBV-LJQANCHMSA-N	517.725	3.378	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4CC[C@@H]3C)CC2)c(C(=O)OC)c1C	514387438	HRBROBMLGITFPF-HNNXBMFYSA-N	534.656	3.398	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)ccc1C	514388168	PTPIEYIQDPLRSP-UHFFFAOYSA-N	519.689	3.403	0	20	KGAD	
COc1ccc(C(=O)N2CCC(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)CC2)c2ccccc12	514389940	SGQSYHNFPLPXAW-UHFFFAOYSA-N	545.665	3.114	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C1	514390949	WTONCPCOHOZDQY-CQSZACIVSA-N	503.408	3.096	0	20	KGAD	
CCOc1ccc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCOCC1	514400854	CMFSKOPEZGFWNN-INIZCTEOSA-N	504.634	3.415	0	20	KGAD	
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c1	514401250	QQDRQJWMQCSWIS-HNNXBMFYSA-N	519.567	3.343	0	20	KGAD	
CCN(C(=O)CN(Cc1ccco1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H]1CCS(=O)(=O)C1	514376254	FERMBJSZZDRAES-HNNXBMFYSA-N	542.985	3.178	0	20	KGAD	
O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514387283	FPINIPNMIQYMJW-UHFFFAOYSA-N	575.489	3.498	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc(N3CCCCC3)n1C[C@H]1CCCO1)n2CC	514392946	IKATVABCVZUZKI-QGZVFWFLSA-N	516.672	3.172	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(NCC(=O)NCc2ccco2)c1	514401270	RBLOAOFHLHUPNI-UHFFFAOYSA-N	555.701	3.374	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1	514401956	CYABVHKIDFKHQB-UHFFFAOYSA-N	525.675	3.286	0	20	KGAD	
CN(C)CCC1CCN(CCS(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)cc2)CC1	584907021	NKWAWWMZIXYIGE-UHFFFAOYSA-N	536.702	3.416	0	20	KGAD	
COc1ccc([C@H](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)NC(C)=O)cc1	514383060	BXYTWQFKWUIHAU-NRFANRHFSA-N	514.431	3.102	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NCCNc2ncc(Cl)cc2Cl)c(O)nc1=O	514404063	XLABOGAGELXCPG-UHFFFAOYSA-N	542.468	3.031	0	20	KGAD	
CCN(CC)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)c1ccccc1	514291810	HXOPAGVZEHRCQM-HSZRJFAPSA-N	501.649	3.073	0	20	KGAD	
Cc1cc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)ccc1Br	514296332	JSHATRKCQSQMHZ-UHFFFAOYSA-N	521.437	3.236	0	20	KGAD	
CCCCN(C(=O)CCNC(=O)c1ccc(Br)cc1)c1c(O)nc(=O)n(CCCC)c1N	514297313	UPYNOERVYFXREG-UHFFFAOYSA-N	508.417	3.047	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)CC2)cc1OC	514300494	WTNVRGUNMQJKSQ-NRFANRHFSA-N	510.056	3.177	0	20	KGAD	
CCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1S(=O)(=O)N1CCCC1	514380396	JRIAXVHJNFDPIH-UHFFFAOYSA-N	580.910	3.203	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	514386290	JJHJSHQFWRQQPV-FQEVSTJZSA-N	595.574	3.369	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnc4n(CCCOC)c(=O)c5ccccc5n34)[nH]c2c1	514290752	AEIGSTGSRADURT-UHFFFAOYSA-N	555.686	3.280	0	20	KGAD	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)CC2)cc1	514301342	XXPOKDYNIOOCKT-UHFFFAOYSA-N	555.669	3.022	0	20	KGAD	
CCCCn1c(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376948	VFBVUHLVMOYECU-QGZVFWFLSA-N	545.687	3.076	0	20	KGAD	
COc1cc(NC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1N1CCCC1=O	514394114	PSIWLZGETKRFJB-UHFFFAOYSA-N	517.604	3.071	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CN(CCC)CC(=O)Nc2ccc(F)c(F)c2F)C2CCCC2)c(O)nc1=O	514401565	ZDZSWWOBONSIKC-UHFFFAOYSA-N	552.598	3.375	0	20	KGAD	
O=C(Cc1ccccc1Cl)N[C@H]1CCc2nc(NC(=O)c3cc(=O)nc4sccn34)sc2C1	1821152282	DFKCHGJDYZKIDX-ZDUSSCGKSA-N	500.005	3.334	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1	514293182	RODYGXLRLTWQEL-UHFFFAOYSA-N	503.568	3.370	0	20	KGAD	
CC(C)NC(=O)CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514295490	JXFZPLOSKVWINC-UHFFFAOYSA-N	529.606	3.469	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514301008	VJIMEWBVBMGOGR-UHFFFAOYSA-N	578.695	3.393	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)Nc3ccc(Br)cc3C)CC2)cc1	514292346	KMSHWTXPFVLHHW-UHFFFAOYSA-N	566.474	3.090	0	20	KGAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(CCCC)[C@H]3CCS(=O)(=O)C3)nnc12	514294063	YVWJCKRFOCKDHG-SFHVURJKSA-N	519.693	3.142	0	20	KGAD	
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	514296542	RVCKMOWILRHXTD-WFDFDODZSA-N	503.555	3.482	0	20	KGAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1	514301294	YGSAASNBNGNWHL-INIZCTEOSA-N	503.675	3.324	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3ccccc3OC)CC2)c1	514376446	AEQNXHUZGRGCEV-UHFFFAOYSA-N	500.665	3.288	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1	514377537	ZEHNWRUYXREDJC-GOSISDBHSA-N	523.677	3.399	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c(O)nc1=O	514379767	YHHSSBRPUOQNEQ-UHFFFAOYSA-N	589.740	3.352	0	20	KGAD	
COCCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514381881	WKEPIQHOBRVYKT-UHFFFAOYSA-N	519.606	3.473	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1	514383067	BZLDDMAZFDCKAR-RPWUZVMVSA-N	546.784	3.406	0	20	KGAD	
O=C(CCc1ccc(OC(F)F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1	514401823	FUYLBPVNUFRSNP-HXUWFJFHSA-N	539.601	3.471	0	20	KGAD	
O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(-c2nnc3n2CCCCC3)c1	514403754	PJAFFOMTPOQJBB-UHFFFAOYSA-N	550.641	3.393	0	20	KGAD	
O=C(CSc1nc[nH]n1)N[C@H]1CCc2nc(NC(=O)c3ccc4c(Cl)ccnc4c3)sc2C1	1823899950	CPQKVHNCHDOUEM-LBPRGKRZSA-N	500.009	3.481	0	20	KGAD	
CCCCCn1c(CCC(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)nc2c1c(O)nc(=O)n2CCCC	514294215	XRSHCVDTEQNBQJ-FQEVSTJZSA-N	525.606	3.189	0	20	KGAD	
CCCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1	514294380	YIVUPKNZCQTPAO-UHFFFAOYSA-N	521.709	3.480	0	20	KGAD	
CCOc1ccc(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)cc1S(=O)(=O)N1CCCCC1	514299729	PVFREAMUYWIBCR-UHFFFAOYSA-N	502.593	3.429	0	20	KGAD	
O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	514300051	LTHZGQJBNATXMB-UHFFFAOYSA-N	522.599	3.451	0	20	KGAD	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1S(=O)(=O)N1CCOCC1	514380271	KUAXCEISBPNVTM-UHFFFAOYSA-N	629.601	3.200	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(SCC(=O)N(C)CCOc3ccc(Br)cc3)n2c1	514392516	YGJBUXYIUKTQET-UHFFFAOYSA-N	556.508	3.152	0	20	KGAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)c1c(O)nc(=O)n(CCCC)c1N	514404551	IFLIEOFQYBWUAS-UHFFFAOYSA-N	558.076	3.358	0	20	KGAD	
COCCn1c(SCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)nnc1-c1ccncc1	514293825	WOSAHENQFKNGSM-HSZRJFAPSA-N	510.664	3.431	0	20	KGAD	
COC[C@H](C)n1c(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)nc2ccccc2c1=O	514302091	AXDXFYSCIYGJKZ-WMZOPIPTSA-N	503.646	3.357	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1	514385067	ZDQUADSRIORBPK-HOFKKMOUSA-N	510.635	3.062	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2c1	514391458	KEQUYGDWLQLQPA-SFHVURJKSA-N	580.758	3.054	0	20	KGAD	
COc1ccc(NC(=O)CCSc2nnnn2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1	514391536	KUNOWLHWTAOBEQ-UHFFFAOYSA-N	516.649	3.026	0	20	KGAD	
Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)cc1	514393838	MOOAGGGYYCVLLQ-QHCPKHFHSA-N	556.685	3.034	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(S[C@H](C)C(=O)N3CCC(C(=O)OCC)CC3)s2)CC1	514294023	YPFCVIWPHSKQNC-HZPDHXFCSA-N	572.775	3.103	0	20	KGAD	
CCOc1c(Br)cc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1OC	514297010	QQINAIYPHMGSDP-UHFFFAOYSA-N	519.364	3.281	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)N(C)Cc2ccccc2Cl)c(C(=O)OC)c1C	514297404	UCEKAVOUDJARER-INIZCTEOSA-N	563.119	3.342	0	20	KGAD	
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514297621	VTCXFJLWMGVIRC-UHFFFAOYSA-N	523.002	3.491	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)N(CC)CC)CC2)cc1	514378815	XXFHFSAVVSTSML-VWLOTQADSA-N	515.676	3.463	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3nc(CN4CCC(C)CC4)cs3)CC2)c(C(=O)OC)c1C	514379922	WXTOKVXWQCBTHC-UHFFFAOYSA-N	598.769	3.358	0	20	KGAD	
Cc1cccc(O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1	514297651	YRZZOFFNPHSVNB-MRXNPFEDSA-N	502.511	3.363	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)c(O)nc1=O	514379897	WPNWMIPSXWZLMH-UHFFFAOYSA-N	563.721	3.210	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1S(=O)(=O)N(C)C	514385582	NETVIKCXDXKTKL-HDICACEKSA-N	523.677	3.255	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)n2CC	514395013	AQNNEARLVDTMMG-IAGOWNOFSA-N	567.759	3.092	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccccc1OC(F)F	514401820	FSKNQLIORBETCN-MRXNPFEDSA-N	511.547	3.152	0	20	KGAD	
CN(C)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1	514290843	AOCDVLJAALWGKT-UHFFFAOYSA-N	507.682	3.042	0	20	KGAD	
Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCOCC1	514296512	MRZIJUFWMRCASC-UHFFFAOYSA-N	542.079	3.096	0	20	KGAD	
CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1	514375269	OKDMWBNTOWKUDS-IBGZPJMESA-N	514.673	3.170	0	20	KGAD	
CCN(C(=O)CSc1nnc(-c2cccc(OC)c2)n1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	514375346	ORSWEOVWHWHDNH-LJQANCHMSA-N	516.645	3.079	0	20	KGAD	
O=C(COc1ccc2ccccc2c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1	514402224	LYACJDMMQRLIST-HSZRJFAPSA-N	525.627	3.469	0	20	KGAD	
COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)CC2)c1	4794072	PSYRTYYXCDFGRF-UHFFFAOYSA-N	528.494	3.269	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)c(O)nc1=O	514294719	AVDICILUEJYTDC-QUCCMNQESA-N	563.721	3.500	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C2CCN(S(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)CC2)c1	514296678	OPUVTXWUSHNSKW-UHFFFAOYSA-N	673.832	3.487	0	20	KGAD	
COCCN(C(=O)CCC(=O)N(Cc1cccs1)Cc1cccs1)c1c(O)nc(=O)n(CC(C)C)c1N	514300666	QXFKQRNREWBZMY-UHFFFAOYSA-N	547.703	3.299	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCN(CC(=O)Nc3ccccc3CC)CC1)n2CC(C)C	514384968	VWIZQJLMXSEUQC-UHFFFAOYSA-N	565.719	3.033	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)nc1	514386675	XYLAXMJAUIBUBK-UHFFFAOYSA-N	569.775	3.084	0	20	KGAD	
C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc(Br)cc1Br	514388313	OCXDFFRJIISNOV-GHMZBOCLSA-N	552.314	3.437	0	20	KGAD	
C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	514395113	CPIJKPPTHZUVOT-HZPDHXFCSA-N	506.650	3.343	0	20	KGAD	
CCOc1cc(C(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCOC)c2N)cc(OCC)c1OCC	514294193	XGRVSCYTBHCFLE-UHFFFAOYSA-N	526.590	3.221	0	20	KGAD	
CCOc1ccc(OCCNC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)cc1	514303077	SSTPRRBKIHQFEW-QFIPXVFZSA-N	503.669	3.379	0	20	KGAD	
O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514304475	VXQWTOKGMNSGGN-UHFFFAOYSA-N	513.616	3.123	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)Cc2csc(N3CCCC3=O)n2)c1	514385787	UTTGTGUWZAISKN-UHFFFAOYSA-N	519.693	3.472	0	20	KGAD	
NC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F	514386419	OMEWIJDKLMGMSZ-GOSISDBHSA-N	510.586	3.231	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c(O)nc1=O	514390888	AOHOXKNAPCPWDF-UHFFFAOYSA-N	561.127	3.488	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1	514395086	BVWKLVMMFNYHSY-RTBURBONSA-N	509.694	3.118	0	20	KGAD	
CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)C(=O)Nc1ccc(I)cc1	514396008	ZDZSKSNVOOKZLS-GFCCVEGCSA-N	501.394	3.076	0	20	KGAD	
CCCCCN(C(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CCC)c1c(O)nc(=O)n(CCCC)c1N	514297071	MVZRDRLWAIVBTA-UHFFFAOYSA-N	579.749	3.054	0	20	KGAD	
CCN1CCN(c2ccccc2NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)CC1	514299387	DREFEBGBXHTQRS-HXUWFJFHSA-N	522.675	3.371	0	20	KGAD	
COc1ccc(-c2noc(CCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)n2)cc1	514303832	OLJQYEMOEODACO-UHFFFAOYSA-N	555.657	3.328	0	20	KGAD	
CCOC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1	514374396	BLJWUCHVCZZPPL-GOSISDBHSA-N	516.645	3.231	0	20	KGAD	
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc1)C2=O	514380783	QHLZSVVXTHQKSW-WGDIFIGCSA-N	542.614	3.088	0	20	KGAD	
O=C(CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1)Nc1ccc(F)cc1	514382641	TZIXFRQGAGNBEO-UHFFFAOYSA-N	556.582	3.028	0	20	KGAD	
COc1cc(OC)c(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1Cl	514393438	AVVZIAOSEUZILG-UHFFFAOYSA-N	528.027	3.216	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)n2CC	514395015	AQNNEARLVDTMMG-SJORKVTESA-N	567.759	3.092	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3I)CC2)c(C(=O)OC)c1C	514293381	QDKQNESACKNLGO-UHFFFAOYSA-N	606.460	3.274	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(=O)N3CCCCC3)cc2)C[C@@H](C)O1	514293450	UNQCIODIEAUPFW-BGYRXZFFSA-N	515.632	3.128	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1	514380028	DAQNMQXMIMZGMK-UHFFFAOYSA-N	533.253	3.056	0	20	KGAD	
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	514382498	NIUPVIAPCFEXDZ-UHFFFAOYSA-N	530.043	3.303	0	20	KGAD	
COCCn1c(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)nc2sc3c(c2c1=O)CCCC3	514393958	CWDAGSPOCBIYKO-HNNXBMFYSA-N	580.754	3.361	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c(O)nc1=O	514295423	JFIKMAUVPUXFLU-UHFFFAOYSA-N	533.695	3.019	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1	514390390	ILVAJGBOPBNJAN-LJQANCHMSA-N	504.628	3.413	0	20	KGAD	
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1	514293617	WKPXXXHLANKTBG-AUSIDOKSSA-N	602.739	3.104	0	20	KGAD	
COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NC[C@H]3CCCO3)c2=O)cc(OC)c1OCc1ccccc1	514386990	BREORZQPSCQGQY-HSZRJFAPSA-N	594.730	3.026	0	20	KGAD	
Cc1cc(C)c2c(NC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)c(C(=O)N3CCOCC3)sc2n1	514389759	LYDDKOJWLZHVCO-YVORESIASA-N	541.674	3.461	0	20	KGAD	
Cc1nc(COc2cccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)c2)cs1	514390099	XXNJYYMKEOOWIM-UHFFFAOYSA-N	558.682	3.140	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1	514391014	DSQMJEGVQAEMSY-INIZCTEOSA-N	516.451	3.147	0	20	KGAD	
COCCCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514401350	UZBAQTGWRFZNCQ-UHFFFAOYSA-N	583.711	3.216	0	20	KGAD	
COc1ccc(Cl)cc1-c1nc(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)n[nH]1	514291651	HZVHKDVHAJVESZ-UHFFFAOYSA-N	536.058	3.416	0	20	KGAD	
CCN(CC)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514292919	NUQAKCGSJYAAPM-UHFFFAOYSA-N	547.678	3.114	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1	514295871	GFIZGXPTCLSDLR-UHFFFAOYSA-N	569.684	3.127	0	20	KGAD	
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1	514303392	LRQLQJBZOZPNDD-LJQANCHMSA-N	519.067	3.300	0	20	KGAD	
COCCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1-c1ccccc1Cl	514375161	MFHPIXPBMDMZLV-UHFFFAOYSA-N	550.106	3.260	0	20	KGAD	
C[C@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	514393093	NKXHSAMNJGYCFI-ZDUSSCGKSA-N	508.526	3.172	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)c1	514394076	OFWYNHACEQKPKE-UHFFFAOYSA-N	548.691	3.290	0	20	KGAD	
O=C1C[C@@H](N2CCN(Cc3nc(O)c4c5c(sc4n3)CCCC5)CC2)C(=O)N1c1cccc(Cl)c1	514394495	WPLSVFIJLHAGOT-GOSISDBHSA-N	512.035	3.379	0	20	KGAD	
COc1cc(Br)c(CSCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC	514401108	MKULKIYKTIVGCR-UHFFFAOYSA-N	545.477	3.359	0	20	KGAD	
COc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1S(=O)(=O)N1CCOCC1	514291432	FZHCVSHUNUPZBR-UHFFFAOYSA-N	500.573	3.359	0	20	KGAD	
COCCn1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nc2cc(Cl)ccc2c1=O	514292450	KZPLNKSXDDPIKK-QGZVFWFLSA-N	524.064	3.449	0	20	KGAD	
CCOc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1OCC(=O)N1CCCCC1	514296978	UYFZELBGJUNGGF-UHFFFAOYSA-N	594.528	3.386	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)N(C)Cc2ccccc2Br)n1CCN1CCOCC1)N(C)C	514375047	KEHBCJVWNFJCCI-HXUWFJFHSA-N	539.544	3.136	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N2CCOCC2)cc1	514380071	DQLQFQJSASHETP-HHHXNRCGSA-N	529.703	3.382	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccccc3)CC2)c(C(=O)OC)c1C	514393891	NWASAAUPNNFBHZ-LJQANCHMSA-N	534.656	3.394	0	20	KGAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3sc4c(c3c(=O)n2C)CCC4)cc1	514292040	KBKNTLRJIITCJJ-ZDUSSCGKSA-N	506.675	3.290	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H](O)COc3cccc(C(C)=O)c3)n2C)c1	514292761	MLXDJPOITFNSKM-HXUWFJFHSA-N	518.661	3.247	0	20	KGAD	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)CC2)cc1	514294292	ZSCXRIZFNFQZSY-UHFFFAOYSA-N	532.688	3.320	0	20	KGAD	
COC(=O)c1cc(Br)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514296031	NUCLFSZDHIJIEP-UHFFFAOYSA-N	539.404	3.046	0	20	KGAD	
COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC	514298207	WUQPDTCIAAHBME-UHFFFAOYSA-N	511.496	3.475	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)CC2)c(OC)c1OC	514303526	WWNNWENADWNIDZ-NHCUHLMSSA-N	545.702	3.337	0	20	KGAD	
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C	514377388	SZYPPGLBMUMVHN-QHCPKHFHSA-N	571.696	3.122	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cccc(SC)c2)c(C(=O)OC)c1C	514382638	TTWLPNZAPSLOQJ-OAHLLOKOSA-N	546.714	3.390	0	20	KGAD	
C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514389519	IAZPTNVDEKRVOG-NVXWUHKLSA-N	511.695	3.423	0	20	KGAD	
O=C(c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)N1CCN(CCN2CCCC2)CC1	514389775	MIKDDFDJWGNNCL-UHFFFAOYSA-N	521.481	3.104	0	20	KGAD	
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1S(=O)(=O)N(C)C	514293123	RXKZCKUBTZODQD-UHFFFAOYSA-N	533.594	3.304	0	20	KGAD	
CCn1c(SC[C@@H](O)COc2cccc(C(C)=O)c2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514297189	QNZPYPAWDBLLJE-NRFANRHFSA-N	530.672	3.484	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)CC1	514301127	WQHVJGDHDMQXLG-JOCHJYFZSA-N	516.616	3.255	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1Cc1ccco1	514303838	OXQNZERKKHWKGN-KRWDZBQOSA-N	548.691	3.288	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514379777	YPFJNIXRRPRFOW-UHFFFAOYSA-N	596.754	3.141	0	20	KGAD	
CCCn1c(SCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)nc2sc3c(c2c1=O)CCC3	514389815	NJEVMEQWUXNPME-CYBMUJFWSA-N	518.686	3.074	0	20	KGAD	
COc1ccccc1N1CCN(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1	514392102	QZCLPKCRFVYDBM-UHFFFAOYSA-N	507.056	3.284	0	20	KGAD	
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1[C@H]2O	2048528896	LUPBSHOPZIWDHL-DITALETJSA-N	620.703	3.102	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)n1-c1ccc(OC)cc1)N(C)C	514292035	JZFDZDUOFNUXDM-TZIWHRDSSA-N	523.725	3.052	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1nc(C)c(C(=O)OCC)s1)n2CC(C)C	514297558	UNKPDIGLKOWLHU-UHFFFAOYSA-N	504.613	3.268	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N(CC)Cc2ccc(OC)c(OC)c2)c(O)nc1=O	514300026	LGHCRTFBYOTBFD-UHFFFAOYSA-N	531.654	3.166	0	20	KGAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1C	514382524	OJQUHLRFDOPWSO-UHFFFAOYSA-N	520.460	3.297	0	20	KGAD	
CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)c1c(O)nc(=O)n(CC(C)C)c1N	514392205	VMNXJJWJYZJXMP-UHFFFAOYSA-N	500.625	3.379	0	20	KGAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccco2)c1C	514394166	RQHHEOAGUUSZGI-HZPDHXFCSA-N	532.692	3.397	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(Cc2ccncc2)CC1	514299389	DWUAWGIAEZMHDU-FQEVSTJZSA-N	517.504	3.133	0	20	KGAD	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c(O)nc1=O	514378709	VOAWMCYHSCPFRN-UHFFFAOYSA-N	597.738	3.109	0	20	KGAD	
O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514382713	BADODOXMWRFAJA-UHFFFAOYSA-N	556.714	3.068	0	20	KGAD	
O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514385565	MSLCJBFIAGNIPJ-UHFFFAOYSA-N	532.869	3.438	0	20	KGAD	
CCN(CC)Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514387972	KSKWIEWTYBFFEY-UHFFFAOYSA-N	501.649	3.017	0	20	KGAD	
Nc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cnc(Cl)s3)[C@@H]2c2cccnc2)sc2nccnc12	1807314529	RCYPABNAVGZFJB-BLLLJJGKSA-N	500.009	3.412	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1	514377539	ZEKQHJHDPSIDTR-UHFFFAOYSA-N	555.575	3.169	0	20	KGAD	
CCOCCCn1c(SCC(=O)c2c(O)nc(=O)n(CC(C)C)c2N)nc2ccc(Br)cc2c1=O	514392252	WDBBXNVWCZMPQE-UHFFFAOYSA-N	566.478	3.061	0	20	KGAD	
O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514395739	RTRAWHYGKUCQAE-FXAWDEMLSA-N	542.521	3.101	0	20	KGAD	
CCCCN(C(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3)c1c(O)nc(=O)n(CCC)c1N	514375480	PJTYAOKCBKAMHJ-UHFFFAOYSA-N	518.665	3.456	0	20	KGAD	
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccccc1C(F)(F)F	514379662	CJIXGYPODOGGRK-UHFFFAOYSA-N	548.483	3.468	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)N(C)Cc2c(F)cccc2Cl)c(C(=O)OC)c1C	514380759	PKAHWUSDDBMUFW-INIZCTEOSA-N	581.109	3.481	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)sc2c1CC[C@H](C)C2	514387669	IAHKAEBOIPJLGM-KKUMJFAQSA-N	540.733	3.275	0	20	KGAD	
O=C(CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	514390104	YCYVVJIADYRYIQ-UHFFFAOYSA-N	586.715	3.099	0	20	KGAD	
CCN(CC)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1cccc(OC)c1	514390513	MKDSEHDRZQKJQR-VWLOTQADSA-N	503.665	3.304	0	20	KGAD	
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1	2970930	GMBOVJLBXPNBLQ-UHFFFAOYSA-N	500.646	3.000	0	20	KGAD	
C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	514303190	VIRMNINQDSVDLR-PYMPDBRZSA-N	524.691	3.438	0	20	KGAD	
CCOc1cc(C(=O)N(CCCOC)c2c(O)nc(=O)n(CC(C)C)c2N)cc(OCC)c1OCC	514379146	MZHBLTJSXWCUSF-UHFFFAOYSA-N	506.600	3.067	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1cccc(S(=O)(=O)NCCCC)c1)c1c(O)nc(=O)n(CCCC)c1N	514384614	RGMDIEQTKQQQIA-UHFFFAOYSA-N	578.736	3.352	0	20	KGAD	
CCOc1ccc(-n2c(S[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514388870	ULBLOFCCZHOANC-XLIONFOSSA-N	530.672	3.468	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1CCCO)NC[C@@H](c1ccccc1Cl)N1CCCC1	514391352	HRMUKGYTLCBBOO-QFIPXVFZSA-N	501.052	3.478	0	20	KGAD	
O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514395741	RTRAWHYGKUCQAE-XLIONFOSSA-N	542.521	3.101	0	20	KGAD	
COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514292556	NQRPBSUCAUPNHA-KRWDZBQOSA-N	516.649	3.273	0	20	KGAD	
CCn1c(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514294127	WDKZYHQVDFQQRX-UHFFFAOYSA-N	589.784	3.070	0	20	KGAD	
COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)N2CCCC2)c1	514294740	BCYSKGPHIMWHPP-AREMUKBSSA-N	513.660	3.252	0	20	KGAD	
CCCCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC)c1c(O)nc(=O)n(CCC)c1N	514374981	JBZHAVYSRUNNAV-UHFFFAOYSA-N	565.096	3.266	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)CC1	514385404	HLLOQKRXXGFUDM-UHFFFAOYSA-N	507.660	3.415	0	20	KGAD	
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)cc2)cc1	514388789	ZBLVPWHLQRASRJ-UHFFFAOYSA-N	580.711	3.420	0	20	KGAD	
Cc1cccc(O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)c1	514403207	XDCGYNALISHGIS-FPOVZHCZSA-N	503.621	3.013	0	20	KGAD	
Cc1cccc(O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)c1	514403209	XDCGYNALISHGIS-TZIWHRDSSA-N	503.621	3.013	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3ccccc3Cl)n2CCCOC)c(O)nc1=O	514298841	IBHLBMIVHKAUKN-UHFFFAOYSA-N	580.111	3.051	0	20	KGAD	
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514302031	KXTFMYMVAZLLJA-HXUWFJFHSA-N	530.499	3.378	0	20	KGAD	
CC[C@@H](C)n1c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc2sc3c(c2c1=O)CCCCC3	514385727	SIPIMBIXJBYSBI-QZTJIDSGSA-N	552.788	3.121	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1	514395190	FFKDCBGOHRDMJM-UYAOXDASSA-N	543.715	3.167	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O	514402158	GTFKLOGYOIXIKO-UHFFFAOYSA-N	505.662	3.022	0	20	KGAD	
Cc1cc(NC(=O)CN2CCN(C(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(Cl)c3)CC2)no1	642512600	GWTZNUKHQJAYDF-UHFFFAOYSA-N	500.003	3.908	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(O)nc1=O	514292513	MYDBVXRCSQNMSG-UHFFFAOYSA-N	597.138	3.177	0	20	KGAD	
COC(=O)CCCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514379611	BDBNCWYEFWHWQD-UHFFFAOYSA-N	554.301	3.462	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc3n(-c4cccc(OC)c4)c(=O)c4ccccc4n23)CC1	514292835	MXDLXVHCEIFVHK-QGZVFWFLSA-N	535.626	3.324	0	20	KGAD	
COCCN(C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514377320	QXIKMHAHDVRSSB-NDEPHWFRSA-N	607.708	3.138	0	20	KGAD	
O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514387117	BZZHFEQNFIRKNV-UHFFFAOYSA-N	569.636	3.106	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c(O)nc1=O	514403829	RDWGZWVAZYAPBK-UHFFFAOYSA-N	600.717	3.284	0	20	KGAD	
Cc1ccc(-n2c(S[C@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)nnc2N2CCOCC2)cc1	514386135	FJGZIUBVIAXOOH-HXUWFJFHSA-N	508.648	3.265	0	20	KGAD	
O=C(NCc1nnc2ccc(C(F)(F)F)cn12)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514393574	GHCJPTDDXICKEN-ZDUSSCGKSA-N	546.369	3.228	0	20	KGAD	
CCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1OC	514394923	WKOKLAVZUBHKFL-UHFFFAOYSA-N	538.022	3.005	0	20	KGAD	
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	514300782	QFRLZXKWXHZSJF-IBGZPJMESA-N	576.485	3.112	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCN(CC(=O)Nc3cccc(C)c3C)CC1)n2CC(C)C	514384384	ONHINRWJDGJLAQ-UHFFFAOYSA-N	565.719	3.087	0	20	KGAD	
O=C(Nc1ccc(N2CCCCC2)nc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514393858	NLPNFWRBOBYGDM-UHFFFAOYSA-N	513.664	3.335	0	20	KGAD	
O=C(CN1CCN(CC(=O)N(Cc2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)CC1)N1CCOCC1	514401159	NWROKDUMMJIGDF-UHFFFAOYSA-N	529.125	3.114	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cc(Br)ccc2OC)c1	514297048	MRRFEMGFKNJQJP-UHFFFAOYSA-N	562.508	3.126	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccc(Br)cc2C(=O)OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379227	PXLKGQFIQAASRN-UHFFFAOYSA-N	579.473	3.198	0	20	KGAD	
O=C(Cc1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514380713	UMYYEXMWXSPBLS-UHFFFAOYSA-N	514.431	3.032	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514384727	UBHQXXNOWYHRQW-WOJBJXKFSA-N	548.086	3.326	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21	514388065	OKFZPJRWTGKUJV-UHFFFAOYSA-N	505.662	3.013	0	20	KGAD	
CCCCN(Cc1nc2c(c(O)nc(=O)n2Cc2ccccc2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1	514389565	JPZFPHODGGTYMZ-OAQYLSRUSA-N	515.680	3.182	0	20	KGAD	
CC(=O)N1CCC[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2cccc(Br)c2)C1	514404325	BVUIZESLQHULRQ-SFHVURJKSA-N	566.474	3.459	0	20	KGAD	
Cc1ccn2c(CN3CCN(C(=O)C4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)CC3)c(C)nc2c1	514299316	KZANWYXZDPCPHY-UHFFFAOYSA-N	530.094	3.350	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299877	JQPNBGSIGNKQLA-RTBURBONSA-N	559.735	3.223	0	20	KGAD	
CCOc1ccc([C@@H](C)NCc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)cc1OCC	514300049	LSRFIWJIROOSQJ-CYBMUJFWSA-N	503.577	3.135	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc(NCCc3ccc(OC)c(OC)c3)s1)n2C	514301840	DSHONYLIIYFRDU-UHFFFAOYSA-N	531.664	3.451	0	20	KGAD	
COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)c2)cc1Cl	514380176	XZFVYBDOKQPKFR-UHFFFAOYSA-N	579.075	3.167	0	20	KGAD	
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1S(=O)(=O)N1CCCCC1	514382780	VKNCHQWBRFZXOU-PMACEKPBSA-N	565.714	3.310	0	20	KGAD	
CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12	514386054	BGDPBTXCOFLFJT-UHFFFAOYSA-N	526.688	3.409	0	20	KGAD	
CN(C(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1	514395063	BPNDFWCKXZLYJL-OFVILXPXSA-N	511.623	3.354	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1	514401650	BAGDOBKLMJGOSG-SFHVURJKSA-N	529.537	3.449	0	20	KGAD	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514302668	OTHGKRWRHMXWBL-SNEKZUEESA-N	503.484	3.065	0	20	KGAD	
CCOc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1	514379423	STSMHAZCTFHAMK-UHFFFAOYSA-N	535.688	3.226	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	514388681	WGMCNYKWARDWIA-UHFFFAOYSA-N	579.741	3.114	0	20	KGAD	
CSCC[C@H](C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	514388690	WPAVHNITFZQPIG-ZHALLVOQSA-N	562.541	3.123	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ncc(C(=O)OC)s2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514390291	FCUBLAMNWFSQTQ-UHFFFAOYSA-N	507.638	3.291	0	20	KGAD	
COCCN(C(=O)CCC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1c(O)nc(=O)n(CC(C)C)c1N	514392987	JRZMHFUNOZFGTK-QHCPKHFHSA-N	574.682	3.376	0	20	KGAD	
CCCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)CC(=O)Nc1ccccc1OC	514296576	JFKWSFXUFCBGQI-UHFFFAOYSA-N	516.664	3.467	0	20	KGAD	
CCCCN(C(=O)CSc1nnnn1-c1ccc(C(C)C)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514301153	VSQWYFJYINBZOQ-UHFFFAOYSA-N	514.656	3.212	0	20	KGAD	
COC(=O)Cc1csc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)n1	514302032	LBYRFCYXGGCCEY-UHFFFAOYSA-N	504.613	3.295	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)c(C)c2)CC1	514384921	WTWNJVUWKXUBAE-NRFANRHFSA-N	626.823	3.119	0	20	KGAD	
CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[C@H]1c1ccccc1OC	514401155	NWKIZUVLUQRWPV-AJTFRIOCSA-N	559.685	3.443	0	20	KGAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1c(O)nc(=O)n(CCC)c1N	514297244	YKAVPQWUPMYGGV-UHFFFAOYSA-N	547.722	3.473	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514377541	ZFHIRQQYOQSKAP-UHFFFAOYSA-N	565.092	3.071	0	20	KGAD	
CCOc1ccc(OC[C@H](O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2C)cc1	514377728	GZGALXSKLJEBQJ-IBGZPJMESA-N	520.677	3.443	0	20	KGAD	
CCN(C(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1	514293087	RKDLCRVEUQXYIH-GOSISDBHSA-N	537.462	3.359	0	20	KGAD	
CC(C)C(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1	514294750	BLFOFXQYCXVYJW-UHFFFAOYSA-N	509.978	3.086	0	20	KGAD	
CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC	514378044	DDCMPSMFYNSWCE-UHFFFAOYSA-N	524.617	3.093	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1	514380443	NCJZOMQLUSMXBM-UHFFFAOYSA-N	553.703	3.086	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O	514384142	MSSBADRVFATEAT-QGZVFWFLSA-N	502.568	3.105	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1	514388518	ZPMSHBJQARYCBS-IOMROCGXSA-N	513.616	3.413	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnc(N3CCCCC3)n2C2CC2)CC1	514403662	XMOLRALZZPXINS-UHFFFAOYSA-N	511.696	3.041	0	20	KGAD	
CCOc1cc(-c2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2CCCOC)ccc1O[C@H](C)C(=O)N(C)C	514295379	AIHUIOLEMIHMGT-LJQANCHMSA-N	549.628	3.305	0	20	KGAD	
CCCCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1c(O)nc(=O)n(CC(C)C)c1N	514382501	NJWZIMRBYODERI-UHFFFAOYSA-N	504.638	3.333	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1	514384211	QUNRSFWZJYHESX-UHFFFAOYSA-N	508.648	3.382	0	20	KGAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)nc(=O)c2c1C	514403792	QISYETYOIDPKNV-LJQANCHMSA-N	544.699	3.110	0	20	KGAD	
Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4ccc(Cl)cc4nn2)CC3)s1	1815575245	LTDLCXBTUHMGHS-ZDUSSCGKSA-N	500.009	3.368	0	20	KGAD	
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1	514295208	CTVXKIXRDCROEV-OAHLLOKOSA-N	500.042	3.406	0	20	KGAD	
O=C(c1ccccc1S(=O)(=O)N1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	514295757	MTLQPNAOJYOSSE-UHFFFAOYSA-N	546.498	3.315	0	20	KGAD	
CSC[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514297408	UCGRGFXMCOUVFA-BDTNDASRSA-N	573.693	3.494	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCN3CCN(C)CC3)ccc2OC)cc1Br	514297650	QINXXDADYARKNP-UHFFFAOYSA-N	555.495	3.233	0	20	KGAD	
COc1cc(CCC(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc(OC)c1OC	514300084	SGAPJSQOKARWRC-UHFFFAOYSA-N	525.524	3.327	0	20	KGAD	
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)c1	514300411	ODSHAAUBWSMISU-UHFFFAOYSA-N	515.588	3.034	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)c(O)nc1=O	514380194	ZGWAYIRUUJMYHW-UHFFFAOYSA-N	567.716	3.294	0	20	KGAD	
COc1cc(Br)c(CS(=O)(=O)[C@H](C)C(=O)NCCOc2cccc(C)c2)cc1OC	514402590	PNCLYNIFPLQGJO-OAHLLOKOSA-N	500.411	3.273	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	514403648	WSRTVOBPBRKQJJ-UHFFFAOYSA-N	559.685	3.303	0	20	KGAD	
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	514300783	QFRLZXKWXHZSJF-LJQANCHMSA-N	576.485	3.112	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1	514388592	QETJRHDJKNELQQ-UHFFFAOYSA-N	567.664	3.369	0	20	KGAD	
COc1ccccc1[C@@H](CNC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)N1CCCC1	514403522	LXEIUDUXEJKPTN-XMMPIXPASA-N	501.649	3.252	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514291875	HVTVPSQXIZEWPM-OAHLLOKOSA-N	596.657	3.402	0	20	KGAD	
CCCn1c(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)OC)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514298172	ZNZGJWDUKTXMLG-QHCPKHFHSA-N	526.659	3.064	0	20	KGAD	
CN(C)S(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)ccc1Cl	514380490	OAXKXCPEQCMFSB-UHFFFAOYSA-N	500.042	3.407	0	20	KGAD	
NC(=O)CCc1nnc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)n1C[C@@H]1CCCO1	514395851	VSIARKLFVLZBAM-QFIPXVFZSA-N	507.660	3.306	0	20	KGAD	
O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	514290968	ARAUBTAUIKCAFI-VWLOTQADSA-N	503.640	3.123	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCN2C(=O)CSc3ccccc32)c1	514301154	XMFXLSPYNJRGDC-UHFFFAOYSA-N	532.688	3.021	0	20	KGAD	
CCc1c(C)sc2nc(S[C@@H](C)C(=O)N3CCC(C(=O)OC)CC3)n(C[C@H]3CCCO3)c(=O)c12	514301637	BJNREHCPVJDNRX-DOTOQJQBSA-N	507.678	3.400	0	20	KGAD	
CCCCN(C(=O)CNc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514382308	IUMMIJIKZQYUDU-UHFFFAOYSA-N	556.689	3.257	0	20	KGAD	
CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[C@@H]1c1ccc(OC)cc1	514382580	QQHVNLCXGBMSRI-HOFKKMOUSA-N	559.685	3.443	0	20	KGAD	
CCn1c(SCc2nc(-c3ccc(OC)cc3OC)no2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514383465	JPYZCSKZRPCGHA-UHFFFAOYSA-N	545.643	3.437	0	20	KGAD	
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)C1=O	514385029	XJSMXPLIVUOLGM-SANMLTNESA-N	577.059	3.125	0	20	KGAD	
CCCn1c(SCC(=O)N(CCC(N)=O)c2ccccc2OC)nc2sc3c(c2c1=O)CCC3	514389585	KODSTQCLVCORRE-UHFFFAOYSA-N	500.646	3.366	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(CN4C[C@H](C)O[C@H](C)C4)cs3)CC2)c(C)c1	514393689	JGDYBHWITDVDKA-KDURUIRLSA-N	506.694	3.409	0	20	KGAD	
O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1	514394966	YECFCKMUBKGCAV-HXUWFJFHSA-N	512.657	3.411	0	20	KGAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)NCc1ccc(C(=O)N2CCOCC2)cc1	514395130	CUUITXIDLARHPR-JOCHJYFZSA-N	560.680	3.486	0	20	KGAD	
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1	514403125	IVBXEJYVOKZUMS-GOSISDBHSA-N	515.661	3.083	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)N3CCN(C)CC3)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1	514290818	ALAUDKPZCNOVNK-UHFFFAOYSA-N	527.647	3.225	0	20	KGAD	
CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2[C@H](C)c2ccccc2)C1	514293055	QYHUOHRBRXILCA-RCZVLFRGSA-N	627.789	3.469	0	20	KGAD	
COCCN(C(=O)CSc1nnc(COc2ccccc2)n1CCC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514293120	RWLMIRHWIFCUCC-UHFFFAOYSA-N	573.720	3.175	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)c(O)nc1=O	514293413	QMBLJVDDZJXSEM-UHFFFAOYSA-N	608.762	3.168	0	20	KGAD	
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(Cc2ccc(Br)s2)CC1	514298579	BAKDXMYXUZIXNH-UHFFFAOYSA-N	518.524	3.244	0	20	KGAD	
CCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	514404040	WJPJIZVYFDEWMH-UHFFFAOYSA-N	533.594	3.433	0	20	KGAD	
O=C(Cn1ccccc1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2	1815443032	PBXYOGAKRUHWLG-GFCCVEGCSA-N	500.005	3.494	0	20	KGAD	
CCCNC(=O)CSc1nnc(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)s1	514291367	FLRNGBLWIZHLEI-UHFFFAOYSA-N	521.612	3.364	0	20	KGAD	
CC1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2ccc(F)cc2)CC1	514375210	MJYHGGFOZUICAG-UHFFFAOYSA-N	559.689	3.445	0	20	KGAD	
CCCCn1c(SCC(=O)N2CCC(C(=O)OC)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514375661	USLYDCCZQKVLRF-UHFFFAOYSA-N	524.709	3.371	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC	514377508	YQZAYRPIOJCWKJ-UHFFFAOYSA-N	595.644	3.304	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c(O)nc1=O	514379851	VQNAHPOXTJPRQV-GOSISDBHSA-N	519.668	3.197	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1	514381849	VFSWGHDSSLHPBZ-UHFFFAOYSA-N	608.783	3.374	0	20	KGAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1	514384310	NQTOUTLXIXYDDT-UHFFFAOYSA-N	527.977	3.130	0	20	KGAD	
Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1	514403166	JSIVDQHFVVXSMT-QFIPXVFZSA-N	584.768	3.371	0	20	KGAD	
CCCCN(C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O	15323119	JHBKQDJVIJHTFD-UHFFFAOYSA-N	519.602	3.282	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1nc2c(s1)CN(CC)CC2)c1c(O)nc(=O)n(CCCC)c1N	514291018	BBUMWTDEMNEFLY-UHFFFAOYSA-N	533.699	3.108	0	20	KGAD	
CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC	514294327	WKMKBNFKVXSNJR-UHFFFAOYSA-N	541.420	3.089	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(CN2CCOCC2)cc1	514299483	GTUJWERDHZZZAB-OAQYLSRUSA-N	542.521	3.320	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)CC2)c(OC)c1OC	514303529	WWNNWENADWNIDZ-OYRHEFFESA-N	545.702	3.337	0	20	KGAD	
COc1ccccc1[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)N1CCCC1	514378704	VNKSBCHAMGDCNB-RUZDIDTESA-N	513.660	3.252	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)ccc2OC)cc1	514380493	LWDGMAMXNLGCAJ-BGYRXZFFSA-N	515.588	3.008	0	20	KGAD	
O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514380866	WCYRBYFNAIDQSV-UHFFFAOYSA-N	549.093	3.500	0	20	KGAD	
COCCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)nnc1-c1ccccc1Cl	514385496	JKWLDEWQJKRAHB-UHFFFAOYSA-N	592.143	3.463	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3	514389036	XQQDFFGYKMRGGJ-STQMWFEESA-N	506.675	3.369	0	20	KGAD	
CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)sc2c1CCS(=O)(=O)C2	514393352	XRSINAZAMQYZHF-IYBDPMFKSA-N	554.712	3.315	0	20	KGAD	
COc1cc(CCNC(=O)CN2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccc1OC(F)F	514400918	FAHXFOKTPANRIV-UHFFFAOYSA-N	560.520	3.110	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(-n3cncn3)nc2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514403172	WMGWQQLZFWIUCH-UHFFFAOYSA-N	510.624	3.024	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	514403971	VFPQKSPJNXEGAL-UHFFFAOYSA-N	576.741	3.125	0	20	KGAD	
CS(=O)(=O)N1CCCc2cc(/C(O)=C(/C(=S)N[C@H]3C[C@H]4CC[C@H]3C4)[n+]3cccc(O)c3)ccc21	912842491	KRJINWPJAGPNFX-FIKGOQFSSA-O	500.666	3.381	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1	514292207	IHYFQIZINDJGAK-IAGOWNOFSA-N	538.464	3.266	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2CCCO)ccc1C	514375538	RTJSBQCYIFTGSZ-GOSISDBHSA-N	532.688	3.237	0	20	KGAD	
CCCCn1c(CCC(=O)NCCc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514378050	DLBSKTREBSJZQB-UHFFFAOYSA-N	504.678	3.210	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1	514402683	KOXQGMKEKNKRQL-UHFFFAOYSA-N	545.658	3.150	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CNc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)sc(C(=O)NC)c1C	514300349	PKXATZNVWSUYII-UHFFFAOYSA-N	566.702	3.217	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1	514303499	WOQOVIDRVCYQFL-UHFFFAOYSA-N	514.652	3.440	0	20	KGAD	
CCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514374083	HPDSKHBCPPMOPY-UHFFFAOYSA-N	566.709	3.302	0	20	KGAD	
O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4sccn34)sc2C1	1821152597	OZOGCLYPHLAODK-CQSZACIVSA-N	500.005	3.334	0	20	KGAD	
CC(C)Cn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3	514291888	IRMQKSKYOIHMCK-INIZCTEOSA-N	548.756	3.337	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(COc2ccccc2Cl)n1C)c1c(O)nc(=O)n(CCC)c1N	514292537	NMRNOJBBSOCIRY-UHFFFAOYSA-N	536.058	3.227	0	20	KGAD	
O=C(NCCCC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1F	514300878	RIHAIHGFSZESBR-UHFFFAOYSA-N	519.492	3.027	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4c(=O)n3CCCOC(C)C)CC2)cc1	514386176	GRNMDUHXISOVFD-UHFFFAOYSA-N	586.736	3.039	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(O)nc1=O	514386379	MTNJZMYDALUIFW-UHFFFAOYSA-N	519.937	3.191	0	20	KGAD	
COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1	514293195	SDCCSEOORITFLB-LJQANCHMSA-N	501.630	3.232	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3cc(OC)ccc3OC)CC2)c(C(=O)OC)c1C	514300835	RYTCRWPPWUKZHF-HXUWFJFHSA-N	594.708	3.411	0	20	KGAD	
CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375103	KTDBAVRXKZXZOG-UHFFFAOYSA-N	531.660	3.456	0	20	KGAD	
Cc1cc2nc(C)c(CCC(=O)N3CCN(CC(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)c(C)n2n1	514389221	CWBBRAFZSHQLHQ-UHFFFAOYSA-N	518.540	3.269	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cccc(C(=O)NCC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293399	QITGMBOQRXALPO-UHFFFAOYSA-N	541.674	3.178	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514297776	URALSSJGRUSRAX-JOCHJYFZSA-N	525.718	3.208	0	20	KGAD	
O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514380117	FQQGBQRPQQERMK-QGZVFWFLSA-N	532.972	3.174	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21	514390282	DWMBXXMEFJSAPA-GOSISDBHSA-N	501.605	3.403	0	20	KGAD	
CC1CCN(c2nnc(SCC(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO2)CC1	514394135	QNOGSWRSGRZYEE-WOJBJXKFSA-N	553.776	3.063	0	20	KGAD	
COc1cc(CC(=O)N2CCN(Cc3nc(O)c4c5c(sc4n3)CCCC5)CC2)cc(OC)c1OC	514293181	RNYJSJMFZQGJDG-UHFFFAOYSA-N	512.632	3.188	0	20	KGAD	
Cc1ccc(O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1	514377853	LSUCFVGZIOPQHI-INIZCTEOSA-N	502.511	3.363	0	20	KGAD	
COc1ccc2cc(CN(C)C(=O)CSc3nnc(N4CCOCC4)n3C[C@H]3CCCO3)ccc2c1	514393267	VACIUTJMFGLPPT-HSZRJFAPSA-N	511.648	3.206	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514291070	BNAGDHUVZKTITR-JOCHJYFZSA-N	551.061	3.447	0	20	KGAD	
Cc1cccc(N2C[C@@H](C(=O)N(CC(C)C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)CC2=O)c1C	514377765	IEMYGYFEPDNISE-NRFANRHFSA-N	503.603	3.238	0	20	KGAD	
COc1ccccc1[C@@H](CNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)N1CCCC1	514379633	BJZSDNPVTWWSIT-XZOQPEGZSA-N	505.706	3.357	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC(c2nc3ccccc3s2)CC1	514384012	JBXWOEWLGRKQMJ-UHFFFAOYSA-N	501.630	3.346	0	20	KGAD	
CCOC(=O)c1sc2ncn(CC(=O)Nc3cc(OCC)c(N4CCOCC4)cc3OCC)c(=O)c2c1C	514293630	WMRVTURJUUPBQG-UHFFFAOYSA-N	544.630	3.216	0	20	KGAD	
CCOc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1S(=O)(=O)N1CCCCC1	514298654	DUEDVQYEKDTLDH-IBGZPJMESA-N	691.872	3.242	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(O)nc1=O	514300201	UZYOXVBWXQQFNR-UHFFFAOYSA-N	565.090	3.237	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)n2CC(C)C	514378770	JKGMNXNUWQCXQB-UHFFFAOYSA-N	546.694	3.357	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cc(C)ccc2C)c(C(=O)OC)c1C	514380121	FRXOKYHYRVTQFV-OAHLLOKOSA-N	528.674	3.285	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514393375	YHQLUIPEQPCOHF-ROUUACIJSA-N	521.661	3.154	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c(O)nc1=O	514404178	BAOHCDVWELXGER-UHFFFAOYSA-N	537.665	3.219	0	20	KGAD	
CN(C)S(=O)(=O)c1cccc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)c1	514290932	CYEWNNHAGASUCR-UHFFFAOYSA-N	522.674	3.454	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1	514292546	LQLYQCJYKGDJDT-RBBKRZOGSA-N	615.844	3.091	0	20	KGAD	
COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)CC1=O	514297496	XAFGSWGFLFHNPX-OAHLLOKOSA-N	591.992	3.302	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1	514293664	UYLNGJHPIHFDNX-UHFFFAOYSA-N	579.741	3.242	0	20	KGAD	
CCCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)nc2cc(S(N)(=O)=O)ccc21	514296847	LDPFHJAMRIJSGV-UHFFFAOYSA-N	581.742	3.008	0	20	KGAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)c12	514300403	NTGISNKSVSOPLM-UWJYYQICSA-N	519.631	3.391	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)c2c1	514378124	RZVGUNANNCODII-UHFFFAOYSA-N	511.648	3.283	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2CCN(CCOc3ccccc3)CC2)ccc1C	514382094	GEXDSCXHWHTGOC-QFIPXVFZSA-N	502.681	3.049	0	20	KGAD	
COCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514291233	BZPLYDYGNOPEPL-NFBKMPQASA-N	613.737	3.128	0	20	KGAD	
CCCCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514291809	HCUDCKQBWIPZSP-LJQANCHMSA-N	556.776	3.139	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c(O)nc1=O	514297630	YLNTVGDMAHLSCN-UHFFFAOYSA-N	549.694	3.207	0	20	KGAD	
COCCCN(C(=O)CSc1nnc(-c2ccco2)n1CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514374779	GXZCHLAJTQQCJI-UHFFFAOYSA-N	567.672	3.249	0	20	KGAD	
CC1CCN(Cc2csc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)CC1	514380164	XNNUUSOOOIQLMC-UHFFFAOYSA-N	520.677	3.186	0	20	KGAD	
COc1ccc(COC[C@H](O)CSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1OC	514386904	IBRNLUFLWZDSOB-DEOSSOPVSA-N	573.737	3.275	0	20	KGAD	
CC(C)OCCCn1c(SCC(=O)c2c(O)nc(=O)n(C3CC3)c2N)nc2cc(Cl)ccc2c1=O	514389477	HROAPPQLFGRZCL-UHFFFAOYSA-N	520.011	3.019	0	20	KGAD	
CN1C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2)C(=O)C12CCCCC2	514404875	MAIXBQPZIBTQMP-UHFFFAOYSA-N	574.631	3.174	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(I)cc1	514297613	VQRYAMLPUDLKEI-UHFFFAOYSA-N	560.410	3.117	0	20	KGAD	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514375389	PKYFHCAFMMNOAX-UHFFFAOYSA-N	611.794	3.215	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514378777	XDAPMCPAGJXFMP-UHFFFAOYSA-N	591.756	3.067	0	20	KGAD	
CCOc1ccc(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1S(=O)(=O)N1CCOCC1	514385467	IHMYPGMORGTCLP-QWRLVCTISA-N	547.718	3.402	0	20	KGAD	
CCCCn1c(SCC(=O)NCc2cc(OC)c(OC)c(OC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514386401	NRDAUOUULXXESG-UHFFFAOYSA-N	592.740	3.292	0	20	KGAD	
Cc1cc(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c(C)n1C[C@@H]1COc2ccccc2O1	514388271	MWRBSOKTUKMDIG-QZTJIDSGSA-N	517.629	3.280	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnnn2C[C@@H]2CCCO2)c1	514389830	OBHSCVFAZLIEDT-KRWDZBQOSA-N	537.067	3.452	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)C[C@H](C)O1	514294813	CCBZTMNZLBEXOM-ROUUACIJSA-N	556.106	3.177	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1	514299707	OTBICPYCARBSFF-UHFFFAOYSA-N	521.661	3.297	0	20	KGAD	
CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)C2=O)cc1OCCC	514377134	YHOOLSZZNSDFFO-UHFFFAOYSA-N	581.047	3.102	0	20	KGAD	
CC(=O)Nc1ccc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1	514378627	GDFBRUYOGAJNBN-UHFFFAOYSA-N	507.634	3.184	0	20	KGAD	
CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)CC2)c(C(=O)OCC)c1C	514378906	YYQWJDIXNDAEGQ-UHFFFAOYSA-N	644.746	3.392	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H]3CCSc4ccc(F)cc43)CC2)cc1	514389181	BGMUJHSCUZULBJ-NRFANRHFSA-N	505.637	3.101	0	20	KGAD	
CCOC(=O)c1sc(NC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)cc1C	514391128	GYCTWAILHRLAOL-UHFFFAOYSA-N	501.634	3.440	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)c(O)nc1=O	514395884	WHZMGJMXKZAFEF-KRWDZBQOSA-N	541.678	3.009	0	20	KGAD	
CCCn1c(CSc2nnc(NC[C@@H]3CCCO3)s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514389510	HYQWSDIDOWWYRG-INIZCTEOSA-N	538.721	3.202	0	20	KGAD	
CN(C(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1	514395065	BPNDFWCKXZLYJL-SQJMNOBHSA-N	511.623	3.354	0	20	KGAD	
CC(C)c1nc(N(C)S(C)(=O)=O)nc2c1C[C@@H]([C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C)c1cc(F)ccc1-2	575417142	SWGDZRCYXHQLEL-BSIFCXSSSA-N	537.654	3.285	0	20	KGAD	in-vitro
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)CC1	514292658	PDTBDEMNBDBLIF-UHFFFAOYSA-N	577.725	3.386	0	20	KGAD	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c(O)nc1=O	514301088	VJYYZMSFFGNSNG-UHFFFAOYSA-N	583.711	3.062	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccn(C)c3)n2[C@H](C)COC)c1	514374140	JQZKCULNSBVOPA-QGZVFWFLSA-N	505.666	3.497	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1cccs1	514375143	LVDOOBDUHNILDV-UHFFFAOYSA-N	528.081	3.432	0	20	KGAD	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1OC	514377746	HNMUTNNEVBWNRP-UHFFFAOYSA-N	531.656	3.354	0	20	KGAD	
COc1ccc(-n2c(SCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2OC)cc1	514384399	PFFUEWIINJKSIJ-IRLDBZIGSA-N	572.709	3.238	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCn1cnc2sccc2c1=O	514393265	UYMKDBGRRDQPLF-UHFFFAOYSA-N	504.634	3.449	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514294360	XLGVZOGOVKNVIM-UHFFFAOYSA-N	531.660	3.498	0	20	KGAD	
CCCCN(C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC)c1c(O)nc(=O)n(CCC)c1N	514374439	CGNMIJQANQVEOX-UHFFFAOYSA-N	565.494	3.359	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1-c1ccc(Cl)cc1)N(C)C	514375159	MCSVWPSRQFIKLP-SFHVURJKSA-N	549.122	3.169	0	20	KGAD	
CCCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1C)c1c(O)nc(=O)n(CCCC)c1N	514377038	XGKJVCLJLIKIBS-UHFFFAOYSA-N	634.829	3.473	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CCN(CCOc3ccccc3)CC2)ccc1C	514382093	GEXDSCXHWHTGOC-JOCHJYFZSA-N	502.681	3.049	0	20	KGAD	
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	514382913	XZNPLYDOYVUIHQ-NRFANRHFSA-N	507.031	3.114	0	20	KGAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514383837	MLAWFEVFZBAIJN-MSOLQXFVSA-N	515.661	3.048	0	20	KGAD	
C[C@@H](NC(=O)CSCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1	514390947	CXXCMOVRYTUXGG-QGZVFWFLSA-N	543.505	3.459	0	20	KGAD	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1	514393705	JPFXTNWMGCQSJM-JOCHJYFZSA-N	537.513	3.306	0	20	KGAD	
CC(C)COC[C@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514295045	FYPFIWYDNRNFOL-QHCPKHFHSA-N	564.705	3.279	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)CC2)cc1	514295597	LEAFLSKRUYFRHY-UHFFFAOYSA-N	506.024	3.419	0	20	KGAD	
CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	514300055	LXDNPILHILTWES-UHFFFAOYSA-N	552.719	3.303	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387131	CRIVXOAGDMDSJQ-INIZCTEOSA-N	504.634	3.205	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCC(NS(=O)(=O)c2ccccc2)CC1	514393305	WDATXUKOSHOZFK-UHFFFAOYSA-N	560.525	3.364	0	20	KGAD	
CCCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)nc2cc(S(N)(=O)=O)ccc21	514395146	DGJSLCKHQWRMCC-CABCVRRESA-N	504.634	3.223	0	20	KGAD	
C[C@@H](C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)N1C(=O)c2ccc(Br)cc2C1=O	514402860	RZYXVPOHMFTDQY-LSDHHAIUSA-N	500.397	3.158	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)c1	514290942	CYJUCDMYRWDTLO-LJQANCHMSA-N	623.779	3.216	0	20	KGAD	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1	514295623	LPSPBGBGAUYOEX-KDURUIRLSA-N	533.622	3.267	0	20	KGAD	
O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	514389402	FVHJCHGJMUYBHH-JOCHJYFZSA-N	542.639	3.438	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1)c1c(O)nc(=O)n(CCCC)c1N	514394354	UXEZGVQAWGBGQL-RTBURBONSA-N	577.752	3.339	0	20	KGAD	
C[C@@H](Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)C(=O)N(C)Cc1ccc(Br)cc1	514395781	SUVOYYYCRXEQRS-APWZRJJASA-N	524.485	3.195	0	20	KGAD	
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1[C@@H]2O	2048528897	LUPBSHOPZIWDHL-NDKRRWIDSA-N	620.703	3.102	0	20	KGAD	
O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514295767	KCJJSNAXVKTESM-SFHVURJKSA-N	512.495	3.302	0	20	KGAD	
CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376947	VFBVUHLVMOYECU-KRWDZBQOSA-N	545.687	3.076	0	20	KGAD	
CCCCn1c(SCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccc(OC)cc1	514382299	IIKCYKBLWSKHDL-GOSISDBHSA-N	518.665	3.349	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1cc(Cl)c2c(c1)OCO2	514382472	MJVKOWJRZPSGDR-UHFFFAOYSA-N	522.885	3.283	0	20	KGAD	
CC(C)CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514388894	UWNLMMCNLGIREA-NRFANRHFSA-N	571.675	3.199	0	20	KGAD	
C[C@H]1CN(Cc2csc(NC(=O)C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)n2)C[C@@H](C)O1	514393489	CLXYQMDOHLAYGM-OKILXGFUSA-N	524.573	3.064	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)n2C	514394955	XQFXFBKPJBIOCF-AREMUKBSSA-N	541.718	3.498	0	20	KGAD	
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1	514403164	JSIVDQHFVVXSMT-JOCHJYFZSA-N	584.768	3.371	0	20	KGAD	
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514291131	CGCZRNWZJUNWKL-HXUWFJFHSA-N	526.486	3.411	0	20	KGAD	
Cc1occc1-c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)o1	514385540	LGKRMCBBQOAUTK-UHFFFAOYSA-N	522.605	3.177	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)c1	514393639	IBICPVNLFHZNOC-FQEVSTJZSA-N	580.777	3.463	0	20	KGAD	
O=C(NC[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1)c1cc(=O)nc2sccn12	1811258176	GVORBBBZMLHOQJ-LIRRHRJNSA-N	500.005	3.499	0	20	KGAD	
CC[C@H](CO)N(C)CC(=O)Nc1c(I)cc(I)cc1I	393289119	FGKTZLLLYTVPPK-SECBINFHSA-N	614.003	3.142	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2C[C@@H]2CCCO2)cc1	514291841	JJNTUZMRHHJEKW-QHCPKHFHSA-N	587.724	3.193	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCC2(N3CCCCC3)CCCCC2)CC1	514292176	MSGOOIXHNNBUSR-UHFFFAOYSA-N	505.681	3.179	0	20	KGAD	
CCCCc1ccc(-n2nnnc2SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1	514383112	CLDQYOLTXIARTR-IBGZPJMESA-N	505.691	3.374	0	20	KGAD	
CCOC(=O)c1sc2ncn(CC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3OC)c(=O)c2c1C	514385844	WOGLETJNQRIWOG-UHFFFAOYSA-N	562.670	3.155	0	20	KGAD	
O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514385982	YPEJJCTWHMPFKY-UHFFFAOYSA-N	537.034	3.380	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC)[C@H]1CCS(=O)(=O)C1	514292545	LQLYQCJYKGDJDT-IRLDBZIGSA-N	615.844	3.091	0	20	KGAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)CC2)c1	514300152	UFVPLJYNVMKLJJ-UHFFFAOYSA-N	534.078	3.167	0	20	KGAD	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1S(=O)(=O)N1CCOCC1	514377830	LACUMQVLMRSAQQ-UHFFFAOYSA-N	592.523	3.062	0	20	KGAD	
O=C(C1CCN(c2nc3cc4c(cc3nc2NS(=O)(=O)c2ccccc2)OCCO4)CC1)N1CCCC1	514382136	HKDYFVGMPFEYJN-UHFFFAOYSA-N	523.615	3.041	0	20	KGAD	
O=C(CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccccc1C(F)(F)F	514382337	JSAXAZWHNKTNOT-UHFFFAOYSA-N	505.493	3.222	0	20	KGAD	
CC(C)c1ccc(CN2CCN(C(=O)CCc3nc4cc(S(=O)(=O)N(C)C)ccc4n3C)CC2)cc1	514382609	RZLDLISEBGMEJD-UHFFFAOYSA-N	511.692	3.224	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1	514384213	QVIXDFTYNZIZCP-SFHVURJKSA-N	518.604	3.412	0	20	KGAD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514384890	VQIUVPHKOHUINR-UHFFFAOYSA-N	504.552	3.457	0	20	KGAD	
CC(C)N(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(C)C	514387665	HWSNROCSTPQMDP-GOSISDBHSA-N	516.689	3.413	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1	514388058	UIGSFDHWBMDTHC-UHFFFAOYSA-N	553.703	3.192	0	20	KGAD	
COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCN(c4ncccn4)CC3)[C@@H]2c2ccccc2OC)cc1	514404668	IASYHMFHMABZTP-BVAGGSTKSA-N	501.587	3.327	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(C2CC2)n1Cc1ccco1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514293571	VSCJKTPEWATNRX-UHFFFAOYSA-N	549.657	3.471	0	20	KGAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c12	514299489	GLGUBUAAOJQRCO-QHCPKHFHSA-N	593.731	3.277	0	20	KGAD	
CCOc1ccc([C@H](C)NCc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)cc1OCC	514300050	LSRFIWJIROOSQJ-ZDUSSCGKSA-N	503.577	3.135	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)[C@@H]1CC(=O)N(C2CC2)C1	514383149	ZKVHBEGQQHBFCT-OAHLLOKOSA-N	503.543	3.142	0	20	KGAD	
CCCCN(Cc1nc2c(c(O)nc(=O)n2Cc2ccccc2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1	514389564	JPZFPHODGGTYMZ-NRFANRHFSA-N	515.680	3.182	0	20	KGAD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	514391054	YMQIJOVGJSMBLC-UHFFFAOYSA-N	569.511	3.402	0	20	KGAD	
CCS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1	514393892	NWMNZGJOKSUFMT-UHFFFAOYSA-N	521.480	3.344	0	20	KGAD	
COCNc1ncnc2c1ncn2CCOC[P@](=O)(OCOC(=O)O)OC(OC(=O)O)(C(C)C)C(C)C	2048529595	QBHCHPAQRNVOOZ-QNGWXLTQSA-N	549.474	3.398	0	20	KGAD	
COCCN(C(=O)CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1c(O)nc(=O)n(CC(C)C)c1N	514293397	QHBGVBHCYSFVFY-UHFFFAOYSA-N	533.935	3.258	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1S(=O)(=O)N(CC)CC	514377663	DMHNRUGXJQRATF-UHFFFAOYSA-N	511.666	3.399	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c(O)nc1=O	514379276	SBLQFFWSIQCRJR-SFHVURJKSA-N	545.641	3.053	0	20	KGAD	
C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	514395114	CPIJKPPTHZUVOT-JKSUJKDBSA-N	506.650	3.343	0	20	KGAD	
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nnc2N2CCCC2)cc1	514400871	CTWNZXSTRPFUFV-FQEVSTJZSA-N	556.714	3.316	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccc2ncsc2c1	514401759	DBMXNZIPJXTNCY-QGZVFWFLSA-N	502.618	3.160	0	20	KGAD	
O=C(COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)NC[C@@H]1CCCO1	514402603	POYYBHSPEKVDHQ-QHCPKHFHSA-N	569.705	3.099	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1	514293240	UGSUXRNJAOYVSA-UHFFFAOYSA-N	517.648	3.162	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)N1CCN(Cc2ccc(Cl)cc2)CC1	514294133	WJSOJONYGDGNID-UHFFFAOYSA-N	534.078	3.246	0	20	KGAD	
CCn1c(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514379681	WLIDINBAGBJDEJ-UHFFFAOYSA-N	547.703	3.052	0	20	KGAD	
CN(C)CCCn1c(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)nc2sc3c(c2c1=O)CCCC3	514384956	VPVVHHUBBMKHDU-UHFFFAOYSA-N	559.783	3.427	0	20	KGAD	
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnnn2C[C@@H]2CCCO2)nc1C	514389958	SYGSQLORPFCPHA-KRWDZBQOSA-N	502.622	3.119	0	20	KGAD	
CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc(CN4CCOCC4)nc4ccccc34)ccc21	514392477	WRCATHPYEWTKFP-UHFFFAOYSA-N	512.657	3.149	0	20	KGAD	
COc1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1S(=O)(=O)N1CCCCC1	514291379	FNOIIJZPQFCBCT-UHFFFAOYSA-N	524.525	3.181	0	20	KGAD	
COc1cccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c1	514377224	NZFBAFARMRDJJU-OAQYLSRUSA-N	513.595	3.461	0	20	KGAD	
COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1	514377813	KPEZRKNWKRZFIY-HNNXBMFYSA-N	564.513	3.346	0	20	KGAD	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	514379233	QCXRZPOWMKFBJL-MRXNPFEDSA-N	512.053	3.368	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)N(C)Cc2ccc(Cl)s2)n1CCN1CCOCC1)N(C)C	514392199	VLETVCMAFXJJGR-QGZVFWFLSA-N	501.122	3.089	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)c1	514393308	WHBCHFGFALQDTE-UHFFFAOYSA-N	543.646	3.184	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)CN(CCC)CC(=O)Nc2ccc(Cl)cc2Cl)c(O)nc1=O	514403065	QLNICFRJUMCKDD-UHFFFAOYSA-N	527.453	3.342	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514297949	XYARXVQZICPRPR-SFTDATJTSA-N	609.767	3.422	0	20	KGAD	
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1	514299659	MPVIUYBXQVQGLH-UHFFFAOYSA-N	515.604	3.081	0	20	KGAD	
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CCCCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1	514303066	SHHYIWBSFQCREU-QHCPKHFHSA-N	590.768	3.187	0	20	KGAD	
COc1ccc(COC[C@@H](O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1OC	514388502	ZHUYHMHFACNTNH-JOCHJYFZSA-N	532.638	3.103	0	20	KGAD	
COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514392731	AAJBUWSFISLYAN-CVDCTZTESA-N	549.715	3.135	0	20	KGAD	
O=C(NC[C@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@@H]1c1cccnc1)c1ccc(Cl)s1	1805527331	REXCNQMKXJYWBA-AUUYWEPGSA-N	500.005	3.499	0	20	KGAD	
COc1ccc([C@H](CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)N2CCCCC2)cc1	514298055	WVXJBDVBMYUILD-RPWUZVMVSA-N	505.706	3.439	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)NCc1ccc(CN(C)C)cc1)c1c(O)nc(=O)n(CCCC)c1N	514299143	AUADIXGGBDPZBT-UHFFFAOYSA-N	514.671	3.013	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)c(O)nc1=O	514379329	QLXDLWYNBBLUBH-UHFFFAOYSA-N	589.763	3.260	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1	514382909	XVTHNSNPOYMWGJ-XMMPIXPASA-N	505.706	3.266	0	20	KGAD	
CCCCCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3	514384718	SZTNOEVGMDZULX-QZTJIDSGSA-N	553.772	3.424	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)c(O)nc1=O	514386577	UADBVMFJMMBOJS-UHFFFAOYSA-N	506.032	3.408	0	20	KGAD	
CC1CCN(c2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)n2Cc2ccco2)CC1	514393525	DLWONTLHDKFNIJ-UHFFFAOYSA-N	512.592	3.367	0	20	KGAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(C(F)(F)F)nc2)CC1	514394053	GYLGNZNTVZCCKO-UHFFFAOYSA-N	511.570	3.279	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)n2[C@H](C)COC)c1	514292798	MJSCWWZIOIKFTH-GOSISDBHSA-N	633.749	3.487	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(SCc3ccc(OC)cc3)s2)c(O)nc1=O	514293268	TVELDWQPYYGHAC-UHFFFAOYSA-N	566.731	3.255	0	20	KGAD	
CC1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)CC1	514293822	WNNJVMOZPSEHSR-GOSISDBHSA-N	514.673	3.026	0	20	KGAD	
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)c2)CC1	514377019	JZDWBGLEWLNAIV-UHFFFAOYSA-N	544.033	3.048	0	20	KGAD	
COc1cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc(OC)c1OC	514380115	FQMVWRVYZUDSCO-UHFFFAOYSA-N	613.533	3.013	0	20	KGAD	
COCCCn1c(SCC(=O)NC[C@H]2COc3ccccc3O2)nnc1-c1ccc(OC)c(OC)c1	514385402	HIRRUEOZSLBHBE-SFHVURJKSA-N	514.604	3.047	0	20	KGAD	
COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1	514385552	MDEDSPNYJNLATG-JOCHJYFZSA-N	518.632	3.485	0	20	KGAD	
Cc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)N2CCOCC2)o1	514390465	KSBZUHWPOXJLSX-RUZDIDTESA-N	509.628	3.138	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514390965	XCSNEFAVZOSIIM-UHFFFAOYSA-N	561.604	3.235	0	20	KGAD	
COc1cc2c(c(OC)c1OC)-c1c3cc4c(c1OC[C@H](C)[C@](C)(O)C(=O)O[C@H]2[C@@](C)(O)[C@@H](C)C3)OCO4	257566546	VLLFEMVDMFTBHG-LBYHYGJNSA-N	530.570	3.415	0	20	KGAD	biogenic
C[C@H](Sc1nc2sc3c(c2c(=O)n1CCCN(C)C)CCCC3)C(=O)N1CCN(C(=O)c2ccco2)CC1	514291342	FHKZCFYZTFPLJK-SFHVURJKSA-N	557.742	3.347	0	20	KGAD	
COc1cccc(-n2c(C)nnc2SCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1	514378049	DKEHTUGUUUHDFN-UHFFFAOYSA-N	572.532	3.034	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)c(O)nc1=O	514379969	XMPYINUQYAKKHP-HSZRJFAPSA-N	556.708	3.062	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1nnc(-c2ccccc2)o1	514401890	AXKFXGQCTMCDDR-UHFFFAOYSA-N	500.577	3.116	0	20	KGAD	
O=C(CSc1nnc(N2CCCCC2)n1C1CC1)NCc1ccccc1S(=O)(=O)N1CCCCC1	514404365	DZSYJEBBTCVEEQ-UHFFFAOYSA-N	518.709	3.186	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nncn3CCc3cccs3)cc2)C[C@@H](C)O1	514405410	VQTNSJOJOBPANN-CALCHBBNSA-N	521.690	3.111	0	20	KGAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nc3ccc(Br)cc3c(=O)n2CCOC)n1	514376769	QXNPEPIWOILRPV-UHFFFAOYSA-N	541.449	3.098	0	20	KGAD	
COCCN(C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514377319	QXIKMHAHDVRSSB-MUUNZHRXSA-N	607.708	3.138	0	20	KGAD	
COCCCn1c(SCC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)nc2cc(C(=O)OC)ccc2c1=O	514395982	YKZPJFYVWZLTMA-UHFFFAOYSA-N	568.696	3.055	0	20	KGAD	
CC(C)n1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc2c1=O	514402472	JVFPKAPCEKZIDA-QGZVFWFLSA-N	516.645	3.118	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1	514402634	QAFKSPARUIVZAT-UHFFFAOYSA-N	563.746	3.142	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@H](c1ccccc1)N1CCCC1)n2C	514292360	KPRPOJAAXNHBCH-RUZDIDTESA-N	511.692	3.490	0	20	KGAD	
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514292374	KOAVGZIDZYFYDO-HXUWFJFHSA-N	599.735	3.236	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3	514300173	KVXLUQYXAOWAES-UHFFFAOYSA-N	500.646	3.459	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1CCN1CCOCC1)N(C)C	514375943	XJKIAXWLQGPLRH-GOSISDBHSA-N	500.591	3.373	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C	514376781	GPBHNMAIOGTDRJ-UHFFFAOYSA-N	525.675	3.394	0	20	KGAD	
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514379811	VDMKNBLYTCWFBH-HXUWFJFHSA-N	559.632	3.099	0	20	KGAD	
C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514382643	UBICNWKCZLBISG-FQEVSTJZSA-N	581.661	3.463	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnnn1-c1ccc(C)c(C)c1	514383683	INGKSAGUIYKKCM-UHFFFAOYSA-N	516.649	3.193	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sccc1S(=O)(=O)N1CCCC1	514394194	IHNFIPLVZMXNFZ-UHFFFAOYSA-N	527.690	3.358	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514300415	OERVEFAHOUVUSY-UHFFFAOYSA-N	507.638	3.093	0	20	KGAD	
CCCCn1c(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1[C@H](CC)N(C)C	514374432	BRBFOAGHMPVFPH-RXVVDRJESA-N	538.740	3.231	0	20	KGAD	
CCOc1ccc(-c2nc(NC(=O)CCC(=O)N(CCOC)c3c(O)nc(=O)n(CC(C)C)c3N)sc2C)cc1	514378944	ZRUUXHBDLDSJBW-UHFFFAOYSA-N	572.688	3.416	0	20	KGAD	
COc1ccc(C(=O)N[C@H](CCSC)c2nnc3ccccn23)cc1S(=O)(=O)NC1CCCC1	514382072	FHFDNQZZTLWMOM-GOSISDBHSA-N	503.650	3.183	0	20	KGAD	
CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1	514391604	MCKVKUVMNDYNIM-NRFANRHFSA-N	522.465	3.173	0	20	KGAD	
CCCn1c(S[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)nc2ccc(Br)cc2c1=O	514395414	JTEBYUQTHLHGAX-OAHLLOKOSA-N	517.453	3.188	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n([C@H]4CCS(=O)(=O)C4)c3C)nnc12	514291889	JWQDRYWKYHWOPE-IBGZPJMESA-N	557.698	3.224	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	514296588	NPNXYIRTCWPSMZ-UHFFFAOYSA-N	533.672	3.103	0	20	KGAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)sc(C(=O)NC)c1C	514304435	UEBGGLIFRJNYDZ-UHFFFAOYSA-N	546.042	3.425	0	20	KGAD	
CCN(C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1F)[C@H]1CCS(=O)(=O)C1	514375361	OBQZOYYNNWOCDN-KRWDZBQOSA-N	564.661	3.227	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	514379203	PHAWIKYNPZOSKO-PMACEKPBSA-N	565.714	3.310	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N(C)CCOc2ccc(Cl)cc2)c1	514382036	ZHMXLQJJSRBYNP-UHFFFAOYSA-N	510.056	3.358	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Sc3nnc(N4CCCCC4)n3Cc3ccco3)CC2)cc1	514395486	LRYHEYYSVSRMBO-OAQYLSRUSA-N	558.730	3.232	0	20	KGAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	514404366	DZZAXENJVWJSDH-UHFFFAOYSA-N	645.756	3.480	0	20	KGAD	
O=C(Cc1ccc(Cl)cc1)N[C@H]1CCc2nc(NC(=O)c3cc(=O)nc4sccn34)sc2C1	1821152596	OZOGCLYPHLAODK-AWEZNQCLSA-N	500.005	3.334	0	20	KGAD	
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1C	514291674	IMAVAKXUJNLUSU-YADHBBJMSA-N	519.598	3.338	0	20	KGAD	
O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514303509	WRNFMRWCPBHBTG-VXKWHMMOSA-N	530.691	3.355	0	20	KGAD	
Cc1cccc(-c2nnc(SCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccco2)c1	514384426	PUNAZUCIPFQPFR-RTWAWAEBSA-N	530.672	3.182	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(O)nc1=O	514393059	MLIQRQASNSMQJK-UHFFFAOYSA-N	557.673	3.264	0	20	KGAD	
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc1S(=O)(=O)N1CCOCC1	514401895	BCKFSMWQFFVGQD-UHFFFAOYSA-N	606.767	3.133	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)N2CCOCC2)cc1	514403294	SJCUHSKTUCYHGW-AREMUKBSSA-N	549.697	3.159	0	20	KGAD	
CCOC(=O)c1sc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c(C(=O)OCC)c1C	514291242	CFDRAQZUDJEGMN-UHFFFAOYSA-N	524.617	3.455	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1	514293974	UPCOVHINJJUMQH-QHCPKHFHSA-N	521.661	3.100	0	20	KGAD	
CCCCn1c(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@H](CC)N(C)C	514301091	VLPFBZURHOOVFR-IEBWSBKVSA-N	513.755	3.460	0	20	KGAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)NCc3ccc(OC)c(OC)c3)nc(=O)c2c1C	514376917	SVDSHRAGXPCHCA-UHFFFAOYSA-N	505.618	3.427	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(C(=O)OC)c1C	514381120	YKZXYGRACZIVFJ-KRWDZBQOSA-N	585.726	3.263	0	20	KGAD	
COCCN(C(=O)CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514381557	JDPQAQBIJCHODR-JOCHJYFZSA-N	618.764	3.479	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc(N3CCCCC3)n2C2CC2)c1	514394334	UGOBIIUZQBSZJK-UHFFFAOYSA-N	522.697	3.373	0	20	KGAD	
CC1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)CC1	514292057	KLSFWAANBNYRSO-HXUWFJFHSA-N	559.714	3.346	0	20	KGAD	
COc1ccccc1[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCC1	514301675	BWOSBFKPWNVPCQ-JOCHJYFZSA-N	507.603	3.327	0	20	KGAD	
CCN(CC)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514375383	PKKZUHUELLBYGT-UHFFFAOYSA-N	507.682	3.042	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1S(=O)(=O)N(C)C	514378717	VPGLAPHALMEGBG-VDNWNZSNSA-N	535.688	3.301	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC)CC2)cc1	514378925	ZPEYLWLVXPPXLZ-UHFFFAOYSA-N	593.724	3.086	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCN(Cc2ccccc2)CC1	514380023	CXOREOXCNBRIKI-UHFFFAOYSA-N	576.785	3.091	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1	514380152	GOVCQISCYJWFTB-QGZVFWFLSA-N	527.474	3.060	0	20	KGAD	
CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc4ccccc4c(=O)n3CCCOC)ccc21	514383309	GKKMYAMICZLCFP-UHFFFAOYSA-N	501.630	3.120	0	20	KGAD	
COCCn1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nnc1-c1ccncc1	514291817	IVQPFJOIQQVAEW-GOSISDBHSA-N	530.676	3.280	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1	514295136	BABZMCWOSNPLED-UHFFFAOYSA-N	542.749	3.200	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1S(=O)(=O)N(C)C	514378713	VPGLAPHALMEGBG-BZDHPDOMSA-N	535.688	3.301	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c(C(=O)OC)c1C	514295230	AOIXEPZIFZNDDS-UHFFFAOYSA-N	529.036	3.000	0	20	KGAD	
COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1	514375243	NLTRYMAEHJNUPN-UHFFFAOYSA-N	508.648	3.086	0	20	KGAD	
CCCN(C(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514375354	NXFFPFUUAWRMRY-UHFFFAOYSA-N	588.738	3.350	0	20	KGAD	
CCCCN1C(=O)CC[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)[C@@H]1c1ccc(OC)cc1	514381931	BMDDVSUDJBAMIV-HOFKKMOUSA-N	559.685	3.443	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514384725	UBHQXXNOWYHRQW-UXHICEINSA-N	548.086	3.326	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)C2CCCC2)c(O)nc1=O	514386075	BZYHTWCORRTMBC-UHFFFAOYSA-N	528.635	3.382	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514388044	TYJAGNPMGYBCQW-UHFFFAOYSA-N	555.985	3.021	0	20	KGAD	
COCCn1c(SC[C@@H](O)COCc2ccccc2OC)nc2ccc(Br)cc2c1=O	514388178	WBSRCNCNMUTSQI-KRWDZBQOSA-N	509.422	3.484	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCN(Cn2nc(COc3ccc(Cl)cc3)oc2=S)CC1	16879603	RBXQGKBOQFTSSX-UHFFFAOYSA-N	500.002	3.007	0	20	KGAD	
CCn1c(CCC(=O)NCCc2ccc(C(C)C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292747	LZRBRXGXEMZCDW-UHFFFAOYSA-N	512.676	3.492	0	20	KGAD	
CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514377672	DQTNWZLDZODQDW-UHFFFAOYSA-N	515.451	3.341	0	20	KGAD	
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1C	514385057	YNQIHYBSFASUNV-INIZCTEOSA-N	510.513	3.144	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	514386291	JJHJSHQFWRQQPV-HXUWFJFHSA-N	595.574	3.369	0	20	KGAD	
COc1ccc(NC(=O)CSc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)cc1S(=O)(=O)N(C)C	514393088	NIBUWDHIPFHUGE-KRWDZBQOSA-N	548.691	3.145	0	20	KGAD	
Cn1ccnc1[C@@H](NC(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1	514394169	RRICTRLPNPWPLN-SANMLTNESA-N	591.731	3.088	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC)[C@H]1CCS(=O)(=O)C1	514395930	XJACKKCEUPGRDZ-MOPGFXCFSA-N	556.776	3.137	0	20	KGAD	
COCCN(C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1	514404591	JDVSYHWXGBPZTM-IBGZPJMESA-N	518.636	3.136	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1-c1ccccc1)N1CCCCC1	514295614	COHYVAURRQQAPZ-QFIPXVFZSA-N	554.742	3.439	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1	514394087	ONFZSPFNLSKKLP-OAQYLSRUSA-N	577.545	3.250	0	20	KGAD	
Cc1cc(I)ccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	514295059	ILVUHJLQGYAYKI-UHFFFAOYSA-N	514.385	3.192	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1	514296871	OYNRUPDOZPWVSC-NRFANRHFSA-N	564.730	3.027	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1	514296917	SMYOKEHTVGXWQI-NRFANRHFSA-N	514.600	3.009	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)nnc1-c1ccco1	514297701	WPJLRBXZWCSDPS-UHFFFAOYSA-N	560.702	3.300	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1	514301411	ZVSXPVFAUVOHDI-UHFFFAOYSA-N	545.630	3.043	0	20	KGAD	
CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375105	KVJGZRKNDYZDRZ-UHFFFAOYSA-N	604.780	3.265	0	20	KGAD	
CCCCn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514375512	QNUADGKDRBNCMY-UHFFFAOYSA-N	593.797	3.109	0	20	KGAD	
Cc1ccccc1CN(C)C(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514380970	UDHLVVUHDYDDEL-UHFFFAOYSA-N	521.705	3.277	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1	514381707	OYXSAWJJYNOCNV-UHFFFAOYSA-N	535.688	3.412	0	20	KGAD	
CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC)cc1)N(C)C	514291335	DFMUIYIPRIHPEZ-CYFREDJKSA-N	588.756	3.429	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1S(=O)(=O)NC1CCCC1	514378127	SBCDYZYECHNVKD-UHFFFAOYSA-N	621.656	3.130	0	20	KGAD	
CSCC[C@H](C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514388691	WPAVHNITFZQPIG-ZIFCJYIRSA-N	562.541	3.123	0	20	KGAD	
O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	514393316	WMWGNJXQJRFUSU-UHFFFAOYSA-N	551.488	3.114	0	20	KGAD	
O=C(Cn1cc(Cl)cn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc(-c3ccccc3)ns1)CC2	1815409216	VNERPKOESLBTNP-AWEZNQCLSA-N	500.009	3.438	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1n[nH]c(-c2ccccc2F)n1	514374395	BFPWRYPUPOUTPR-UHFFFAOYSA-N	548.666	3.209	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(O)nc1=O	514387341	DDJZHXIKPPOWTA-FQEVSTJZSA-N	587.674	3.113	0	20	KGAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CCc2nnc(-c3ccccc3)o2)CC1	514401068	KYLKQUGRXDRNAJ-UHFFFAOYSA-N	538.674	3.234	0	20	KGAD	
O=C(c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)N1CCC(C(=O)N2CCCC2)CC1	514402044	KQOATNZZIDCGKE-UHFFFAOYSA-N	513.616	3.123	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nc3sc4c(c3c(=O)n2CCCN(C)C)CCCC4)c(O)nc1=O	514404163	AMFRDBRNQFKNEQ-UHFFFAOYSA-N	589.788	3.078	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H](C)CCc2ccccc2)c(C(=O)OC)c1C	514296451	LVGPPJCNNDUMMD-QAPCUYQASA-N	556.728	3.167	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)CC2)cc1	514299453	FRPVOZWRYOMNAP-UHFFFAOYSA-N	500.646	3.481	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1	514299532	HILXWYUVEWPNLI-SFTDATJTSA-N	526.703	3.367	0	20	KGAD	
Cc1cccc(NC(=O)CN2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)CC2)c1C	514301007	VIKRHAGTCXSMEG-UHFFFAOYSA-N	512.676	3.265	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c(O)nc1=O	514377759	IAXLJSXTIWUXIZ-QFIPXVFZSA-N	556.708	3.062	0	20	KGAD	
Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)sc2nc3n(c(=O)c12)CCCCC3	514379570	DTSQRCMLPPSSMO-UHFFFAOYSA-N	565.515	3.402	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCN(CC)CC3)CC2)cc1	514381993	CNXXYYWPZAGVKV-UHFFFAOYSA-N	500.665	3.267	0	20	KGAD	
CCN1CCc2c(sc3nc(S[C@@H](C)C(=O)NC(=O)NC4CC4)n(-c4cccc(OC)c4)c(=O)c23)C1	514391821	QZLUWDVLDLDAKU-AWEZNQCLSA-N	527.672	3.303	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1	514393199	QYRBTFYTNZFHSJ-UHFFFAOYSA-N	527.734	3.202	0	20	KGAD	
Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)cc1	514393837	MOOAGGGYYCVLLQ-HSZRJFAPSA-N	556.685	3.034	0	20	KGAD	
COC(=O)c1ccc(OC[C@H](O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)c(OC)c1	514401194	OZNPRJGUEZIEAG-SFHVURJKSA-N	526.615	3.418	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1ccccc1Br	514296206	IBJZGSKZAWAVDL-UHFFFAOYSA-N	525.469	3.367	0	20	KGAD	
CCCCc1oc2ccccc2c1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1	514387491	IJLWQZLBBILIML-UHFFFAOYSA-N	547.699	3.482	0	20	KGAD	
CCOc1cccc2cc([C@H](C)NC(=O)CSCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)oc12	514388052	UCZWPIQVYOQUAB-SFHVURJKSA-N	591.708	3.410	0	20	KGAD	
COc1ccc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1	514403410	UXIVQWNMQJXRQH-UHFFFAOYSA-N	520.551	3.388	0	20	KGAD	
CCCCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)cc2C1=O	514298649	DQLOBBZLJBMOMZ-UHFFFAOYSA-N	516.520	3.498	0	20	KGAD	
Cc1cc(C(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)c(C)n1[C@@H]1CCS(=O)(=O)C1	514385005	WPWPGMXMRGTCJQ-OAHLLOKOSA-N	515.539	3.314	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)N2CCCC2)cc1	514401507	XIIFRTUYYDMQDZ-HSZRJFAPSA-N	507.603	3.327	0	20	KGAD	
C=CC(=O)Nc1ccccc1C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1	2088605621	IQWYQGUUDDXMDP-RPWUZVMVSA-N	518.570	3.258	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(c3ccccc3OC)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291706	FRUTZBGPYMRBSN-UHFFFAOYSA-N	569.728	3.147	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1	514303060	SDJGVQYMDMZBKP-UPVQGACJSA-N	528.631	3.372	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1c(O)nc(=O)n(CCCC)c1N	514379749	UBHPFIKSLFCNBZ-UHFFFAOYSA-N	644.717	3.187	0	20	KGAD	
CCCCCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1	514396033	ZVBRWGMFFQAGCS-KRWDZBQOSA-N	502.662	3.074	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1S(=O)(=O)N(CC)CC	514402474	JWRCPLFZUDRVCS-MRXNPFEDSA-N	509.650	3.079	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)nc2cc(S(N)(=O)=O)ccc21	514404687	IQCGOFBKBMNKRR-UHFFFAOYSA-N	595.769	3.396	0	20	KGAD	
Cc1cc(/C(O)=C(/C(=S)NCc2ccc([S@](=N)(=O)O)cc2)n2ccc(=[N+](C)C)cc2)c(C)n1C	726571028	AMVUFHWZGCAHOW-UHFFFAOYSA-O	500.670	3.355	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(CCc3ccccc3)CC1)n2CC	514390773	BXNPEGFYNSHSID-UHFFFAOYSA-N	525.719	3.406	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccccc1OC(F)F	514401819	FSKNQLIORBETCN-INIZCTEOSA-N	511.547	3.152	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1	514292208	IHYFQIZINDJGAK-IRXDYDNUSA-N	538.464	3.266	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(O)nc1=O	514296850	QUTYYLPALKLXCS-UHFFFAOYSA-N	557.673	3.265	0	20	KGAD	
CCN1CCN(c2ccccc2NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)CC1	514299119	DREFEBGBXHTQRS-FQEVSTJZSA-N	522.675	3.371	0	20	KGAD	
CCn1c(CCC(=O)Nc2cccc(Br)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377226	OABNRSREBCIMEY-UHFFFAOYSA-N	521.437	3.411	0	20	KGAD	
CSC[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	514381057	VQSBWFWKXVSNJM-NJDAHSKKSA-N	559.666	3.104	0	20	KGAD	
Cc1ccc(C)c(-n2c(SCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)c1	514383353	GYNNRLSNLVQNOR-SFTDATJTSA-N	541.695	3.289	0	20	KGAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F	514388456	UGCHJICWSCPYEA-UHFFFAOYSA-N	531.553	3.256	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cnc3c(cnn3C(C)C)c2)c(O)nc1=O	514390593	QAYYYJNHFQSTDL-UHFFFAOYSA-N	512.615	3.065	0	20	KGAD	
CC(C)n1ncc2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCCC3)cnc21	514392601	YUFYIIBYIFMWNP-UHFFFAOYSA-N	512.636	3.276	0	20	KGAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(c2nc3ccccc3o2)CC1	514392763	AVOXFPKUEUVIOB-UHFFFAOYSA-N	504.996	3.357	0	20	KGAD	
Cc1ccc(-n2c(SCC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)nnc2N2CCOCC2)cc1	514404689	IQLWCCOCFAUSCQ-UHFFFAOYSA-N	508.648	3.185	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCN(C2CC2)CC1	521478200	MCVHJIAQFXDSIM-MRXNPFEDSA-N	500.008	3.065	0	20	KGAD	
O=C(CSc1ccncc1)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)cc4nn[nH]c34)sc2C1	1821435447	HDOCXDHFTQUBLB-LBPRGKRZSA-N	500.009	3.481	0	20	KGAD	
Cn1nccc1-c1cc(C(=O)N2CCCC23CN(C(=O)c2cnc4snnc4c2)C3)sc1Cl	1843203534	OLASIFXIZZGANY-UHFFFAOYSA-N	500.009	3.333	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1S(=O)(=O)N1CCOCC1	514291010	BWRKZKTUJYFJCV-UHFFFAOYSA-N	574.725	3.272	0	20	KGAD	
COCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1-c1ccncc1	514374734	GUASPRMHRLODSR-SFHVURJKSA-N	530.676	3.280	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1	514376483	BDZILGUJOIODFG-XMMPIXPASA-N	563.698	3.254	0	20	KGAD	
CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514381752	QLTLIETXFAVROR-MCADVSAISA-N	503.665	3.003	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccccc4nc3N3CCCC3)CC2)cc1	514391267	FROVKLAMGYUQEO-UHFFFAOYSA-N	507.616	3.472	0	20	KGAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)N2CCOCC2)cc1	514293189	SAKYDQAICQOSBC-FQEVSTJZSA-N	572.547	3.110	0	20	KGAD	
COc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1S(=O)(=O)N1CCOCC1	514375239	NGYXFCGTCXVZNM-UHFFFAOYSA-N	534.685	3.330	0	20	KGAD	
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1	514378079	QVNIJXRFBFCHPF-UHFFFAOYSA-N	535.688	3.349	0	20	KGAD	
COc1cc(CCNC(=O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)ccc1OC(F)F	514391471	KRWYUONWFJSALK-UHFFFAOYSA-N	565.618	3.477	0	20	KGAD	
CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)cc2)CC1	514404973	OYIAKVRURGULPO-UHFFFAOYSA-N	524.565	3.411	0	20	KGAD	
CC(C)CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl	514291902	IKZQSCMAXKFNGS-UHFFFAOYSA-N	550.106	3.473	0	20	KGAD	
CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)CC1=O	514297461	WFXPQNLGTHOXJM-KRWDZBQOSA-N	571.574	3.039	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1cccs1	514375757	VOXUQBNPMBIASV-UHFFFAOYSA-N	507.663	3.087	0	20	KGAD	
Cc1cccc(C)c1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514378723	WAUJUZZCUQVPSX-UHFFFAOYSA-N	502.511	3.283	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(C(=O)OC)c1C	514381121	YKZXYGRACZIVFJ-QGZVFWFLSA-N	585.726	3.263	0	20	KGAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1C	514383225	FAMGWRCUDWRFKO-OAHLLOKOSA-N	507.663	3.181	0	20	KGAD	
COc1ccc(COC[C@H](O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1OC	514388503	ZHUYHMHFACNTNH-QFIPXVFZSA-N	532.638	3.103	0	20	KGAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1	514404487	FQZVLNKKHYNYKA-BKMJKUGQSA-N	561.682	3.291	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@H](c1ccccc1OC)N1CCCC1)n2C	514291735	GUHGEFPTQLFZFQ-RUZDIDTESA-N	541.718	3.498	0	20	KGAD	
CCCCN(C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1c(O)nc(=O)n(CCCC)c1N	514376036	ADIAQLYWGGABBX-UHFFFAOYSA-N	563.702	3.430	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514378114	RUBVCUAUAKIUIH-UHFFFAOYSA-N	606.767	3.133	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccccc2SCC(N)=O)nc2cc(S(=O)(=O)N(C)C)ccc21	514383007	DROBLLOUVHYDQV-UHFFFAOYSA-N	517.677	3.235	0	20	KGAD	
CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nc4ccccc4c(=O)n3C[C@@H]3CCCO3)ccc21	514384392	OXTSFFWEHOWSHG-IBGZPJMESA-N	513.641	3.263	0	20	KGAD	
CSc1cccc(N2C[C@@H](C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC(C)C)CC2=O)c1	514379024	LLGAWGRWLUYCBM-SFHVURJKSA-N	533.672	3.208	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)ccc1C	514381934	XSAYSMXJPANJSX-UHFFFAOYSA-N	523.677	3.268	0	20	KGAD	
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1S(=O)(=O)N1CCCCC1	514382781	VKNCHQWBRFZXOU-WOJBJXKFSA-N	565.714	3.310	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H]3CCSc4ccc(F)cc43)CC2)cc1	514389182	BGMUJHSCUZULBJ-OAQYLSRUSA-N	505.637	3.101	0	20	KGAD	
Cc1cc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)ccc1Br	514395313	HRWMGSAELMLWLT-NVXWUHKLSA-N	510.458	3.484	0	20	KGAD	
CCCCn1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc2cc(C(F)(F)F)ccc21	514401547	YUFQBWCTJZUYGT-KRWDZBQOSA-N	518.627	3.279	0	20	KGAD	
O=C(CCc1nc(-c2ccco2)no1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1	514403102	IGLIZXDGRJDLMX-UHFFFAOYSA-N	529.619	3.302	0	20	KGAD	
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1	514382064	DZHNCYJJYFSGAD-UHFFFAOYSA-N	564.730	3.027	0	20	KGAD	
COc1cc2ncn(CCCC(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)c(=O)c2cc1OC	514401768	DFJNGYCYMXECIL-QFIPXVFZSA-N	515.010	3.037	0	20	KGAD	
COc1ccc(NC(=O)CSc2n[nH]c(Cc3cccs3)n2)cc1S(=O)(=O)N1CCCCC1	514404254	ACPGPCZFYLUBMO-UHFFFAOYSA-N	507.663	3.371	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)n2C	514291245	CFFWOAVSPLXURT-UHFFFAOYSA-N	513.664	3.217	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)cc1Br	514299770	HXTQOQWNSYMJCK-UHFFFAOYSA-N	579.517	3.029	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1	514382081	FTGMDXCUULJZAZ-QGZVFWFLSA-N	546.049	3.349	0	20	KGAD	
Cc1cccc(-n2c(SCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)nc3sc(C)c(C)c3c2=O)c1C	514386454	PWRSSFPEBCWYSV-HXUWFJFHSA-N	560.767	3.104	0	20	KGAD	
C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)N[C@@H]1CCS(=O)(=O)C1	514387990	LCGXBOIAODJHBF-ZIAGYGMSSA-N	521.661	3.249	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CNc2cc(Cl)ccc2OCC(F)(F)F)c(O)nc1=O	514405046	RBXSMWJOVIHHKO-UHFFFAOYSA-N	521.924	3.017	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cn3c(Cl)cccc3n1)CC2	1815629317	CSLOQRWBYVAPGG-GFCCVEGCSA-N	500.009	3.252	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cccc(OC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292870	NSFOQTOBUCIXPN-UHFFFAOYSA-N	500.621	3.437	0	20	KGAD	
CCCCCn1nc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c2ccccc2c1=O	514298045	ZUYWWUXWEKEEJT-UHFFFAOYSA-N	504.559	3.012	0	20	KGAD	
COCCN(C(=O)CN(Cc1ccc(F)cc1)C1CCCCC1)c1c(O)nc(=O)n(CC(C)C)c1N	514300645	ZYGCWSGASVCBQO-UHFFFAOYSA-N	503.619	3.141	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)sc2c1CC[C@@H](C)C2	514387670	IAHKAEBOIPJLGM-QLFBSQMISA-N	540.733	3.275	0	20	KGAD	
C[C@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccc(OC(F)F)cc1	514402062	LIEBQWUADANIBP-HNNXBMFYSA-N	509.531	3.248	0	20	KGAD	
C[C@H](NC(=O)CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)c1ccc(Br)cc1	514402983	OCVMZJRCKNWUQT-YJBOKZPZSA-N	510.458	3.026	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)n2CC	514291028	BGXPTRPDIZKRMV-UHFFFAOYSA-N	539.580	3.192	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc2sc(C)c(C)c2c1=O	514296330	LLONUPNVENQJNU-UHFFFAOYSA-N	504.634	3.287	0	20	KGAD	
COc1cc(-c2nnc(SCC(=O)NC3CCN(C)CC3)n2-c2ccccc2F)cc(OC)c1OC	514387217	KZWDIJWOOWSWIC-UHFFFAOYSA-N	515.611	3.402	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)N2CCCCC2)cc1	514405258	UQBVTKVYOCRKMA-RUZDIDTESA-N	545.702	3.457	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(O)nc1=O	514295064	GCMXKBRLHUTTAH-SFHVURJKSA-N	543.646	3.192	0	20	KGAD	
CCn1c(CSc2nc3ccccc3n2CCOC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375360	OBDQQONEFSXIOP-UHFFFAOYSA-N	515.661	3.366	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1	514405155	REDXAXGQKOFARW-MJGOQNOKSA-N	515.657	3.301	0	20	KGAD	
O=C(NC[C@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1)c1cc(=O)nc2sccn12	1811258174	GVORBBBZMLHOQJ-KUHUBIRLSA-N	500.005	3.499	0	20	KGAD	
CCCCN(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514292124	LEOBLFAJQGRYBB-UHFFFAOYSA-N	636.731	3.038	0	20	KGAD	
COc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514301141	XCDCPCIXYQLKIJ-SFTDATJTSA-N	515.676	3.124	0	20	KGAD	
COc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1S(=O)(=O)NC1CCCC1	514302373	DKZHFLUCCAADFV-IBGZPJMESA-N	501.653	3.254	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccncc2)CC1	514303723	YFEZXKZYRGQNKJ-LJQANCHMSA-N	503.477	3.137	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1S(=O)(=O)N(C)C	514385584	NETVIKCXDXKTKL-ROUUACIJSA-N	523.677	3.255	0	20	KGAD	
CCOc1ccccc1C(=O)NCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C	514388906	VBSDINRLBDSYSB-UHFFFAOYSA-N	533.647	3.042	0	20	KGAD	
CCOc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCOCC1	514400855	CMFSKOPEZGFWNN-MRXNPFEDSA-N	504.634	3.415	0	20	KGAD	
O=C(Cn1cc(Cl)cn1)Nc1nc2c(s1)C[C@H](NC(=O)c1csc(-c3cccnc3)n1)CC2	1815409367	FHUOXAZBIJANOG-CQSZACIVSA-N	500.009	3.438	0	20	KGAD	
Cn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nc2sc3c(c2c1=O)CCCC3	514292343	KIEQRAHLXGAFDO-UHFFFAOYSA-N	518.686	3.389	0	20	KGAD	
CC(C)CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)[C@H]1CCS(=O)(=O)C1	514302199	MHNMDHDARWLBML-ZWKOTPCHSA-N	553.772	3.280	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)c(C)c2)CC1	514377842	LOZKRWXRMDQNIR-UHFFFAOYSA-N	506.619	3.455	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n2CC(C)C	514390755	USLIUXLQTBUAAN-JOCHJYFZSA-N	542.656	3.016	0	20	KGAD	
O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1	514392282	WMSLHBVXGSKQHN-UHFFFAOYSA-N	520.655	3.023	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)CC2)c(C)c1	514393691	JGDYBHWITDVDKA-RTBURBONSA-N	506.694	3.409	0	20	KGAD	
C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1	514395788	TZJSIJKDWCFDJH-LJQANCHMSA-N	506.632	3.409	0	20	KGAD	
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)ccc3OCC)nc12	575346623	ZNBBYJQSWODKSY-UHFFFAOYSA-N	550.685	3.181	0	20	KGAD	in-vitro
O=C(O)CN(CCNS(=O)(=O)c1nc2ccccc2s1)C(=O)Cn1ccc(NC(=O)OC(c2ccccc2)c2ccccc2)nc1=O	164564623	LYDCULHGQYWFBJ-UHFFFAOYSA-N	676.733	3.083	0	20	KGAD	
CCCn1c(CSCc2cc(=O)n3cc(C)ccc3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514301710	COWSAPBQIZAWFS-UHFFFAOYSA-N	527.672	3.217	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1c(O)nc(=O)n(CCCC)c1N	514387629	LDUFINJIVYLIBH-UHFFFAOYSA-N	570.739	3.205	0	20	KGAD	
C[C@@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	514387952	KESZMWAWNLAKGF-MJGOQNOKSA-N	504.703	3.299	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(c4ccc5c(c4)OCCO5)CCCC3)CC2)cc1OC	514390909	BATAOTGPUUORNB-UHFFFAOYSA-N	530.643	3.461	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1	514401884	AOXASWRUFLUYIS-XXBNENTESA-N	582.679	3.297	0	20	KGAD	
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C(=O)NC[C@H]4CCCO4)C(C)C)nnc23)c1	514403186	WRXMHCVJEOQDDO-DENIHFKCSA-N	507.616	3.454	0	20	KGAD	
COC(=O)CCn1c(SCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)nc2ccccc2c1=O	514403823	RBFUYMKUWBVIFA-UHFFFAOYSA-N	523.611	3.409	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccco1	514290821	AMKFKIQLWNWVHN-INIZCTEOSA-N	505.622	3.007	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)o2)c1	514375268	OHDKZHWNFAFNPO-UHFFFAOYSA-N	630.170	3.172	0	20	KGAD	
O=C(NCC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)c1cccs1	514380750	PABUQNBWJGNWBG-UHFFFAOYSA-N	529.484	3.049	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	514381073	WBYPDMQHJHXGQF-NRFANRHFSA-N	554.065	3.099	0	20	KGAD	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1ccc(S(=O)(=O)N3CCOCC3)cn1)CC2	514384708	UOPPMXPUKYKQIX-NDEPHWFRSA-N	569.705	3.386	0	20	KGAD	
CCCCCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1	514385825	WDANSKOHOGFTEU-UHFFFAOYSA-N	533.676	3.006	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC)CC1	514385867	XMCULRSSCQMDGN-UHFFFAOYSA-N	596.754	3.436	0	20	KGAD	
O=C(CSc1nncn1CCc1cccs1)N1CCN(C(=O)CSc2nncn2CCc2cccs2)CC1	514391544	LEAYRQQNRLZTRQ-UHFFFAOYSA-N	588.810	3.033	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c1	514296873	OYNRUPDOZPWVSC-OAQYLSRUSA-N	564.730	3.027	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)cc1	514298203	ZZWJJGWXHBCPSW-OYRHEFFESA-N	529.615	3.399	0	20	KGAD	
CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)c1	514299792	IRUVKAJUFPYYMQ-UHFFFAOYSA-N	522.693	3.258	0	20	KGAD	
CCc1c(C)sc2nc(S[C@@H](C)C(=O)N3CCC(C(=O)OC)CC3)n(C[C@@H]3CCCO3)c(=O)c12	514301641	BJNREHCPVJDNRX-RDJZCZTQSA-N	507.678	3.400	0	20	KGAD	
O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514375629	UBUAFICKTLPQIL-HSZRJFAPSA-N	531.748	3.363	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1	514376059	AVEYFLZOBSYIPH-UHFFFAOYSA-N	522.693	3.210	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1	514376760	GGQQIZAQEXOEGY-UHFFFAOYSA-N	577.725	3.466	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1	514376945	VDMSHCBGJNKQMA-UHFFFAOYSA-N	626.805	3.466	0	20	KGAD	
O=C(NCC[C@H]1C(=O)Nc2ccccc21)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514384954	VMQXQWGSWKQKTB-OAHLLOKOSA-N	512.451	3.154	0	20	KGAD	
CCCCn1c(CCC(=O)NC[C@@H](c2cccs2)N(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21	514394821	UARMTWYHGBMBIK-NRFANRHFSA-N	505.710	3.500	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3cc(S(=O)(=O)N4CCOCC4)ccc3C)n2-c2ccccc2)CC1	514402087	FDGHTDNYIDNCIG-UHFFFAOYSA-N	613.762	3.157	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2ccoc2C)o1	514404472	FACIUPWFLGOZGC-UHFFFAOYSA-N	535.648	3.236	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)nc2ccccc21	514376033	ZXYPVXDKRONQDC-UHFFFAOYSA-N	529.688	3.408	0	20	KGAD	
CC(C)n1ncc2c(C(=O)N3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)cc(C3CC3)nc21	514381681	NQZZDRKZOVFROO-UHFFFAOYSA-N	511.633	3.041	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1	514382044	ZWLKCSJBZVSJPS-UHFFFAOYSA-N	512.028	3.477	0	20	KGAD	
COC(=O)c1c(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)[nH]c(C(C)=O)c1C	514386856	GDVCBHKPVUKISR-UHFFFAOYSA-N	505.593	3.067	0	20	KGAD	
CCCCN(C(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1)c1c(O)nc(=O)n(CCC)c1N	514295044	HYAYPSFEZKSNTQ-UHFFFAOYSA-N	553.689	3.048	0	20	KGAD	
COCCn1c(SCC(=O)N2CCCC[C@H]2C(N)=O)nc2scc(-c3ccccc3Cl)c2c1=O	514405498	WXEPHZFLNPJCRK-KRWDZBQOSA-N	521.064	3.383	0	20	KGAD	
CCOC(=O)CSc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)s1	514296775	QACBQKYUCCPCQM-ZFWWWQNUSA-N	528.678	3.311	0	20	KGAD	
CCOc1ccc(NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1S(=O)(=O)N1CCCCC1	514298769	FJKAZHZZMCJOAZ-UHFFFAOYSA-N	601.751	3.368	0	20	KGAD	
CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl	514375519	QUELNKSIRXNRCA-UHFFFAOYSA-N	621.185	3.074	0	20	KGAD	
Cc1cc(I)ccc1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C	514379849	ZVNWPWNSCUURFW-UHFFFAOYSA-N	568.437	3.079	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1	514394797	STNGTZRNSHRMBT-TZIWHRDSSA-N	506.650	3.026	0	20	KGAD	
COc1cccc(-n2c(S[C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)nc3sc4c(c3c2=O)CCC4)c1	514395241	GFZJDHBQRLMLCE-CABCVRRESA-N	512.657	3.149	0	20	KGAD	
CCN(CC)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccccc1	514401893	AYUGVJYFIKUORL-XMMPIXPASA-N	515.676	3.448	0	20	KGAD	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514291120	DUMPERGCAZGUBE-UHFFFAOYSA-N	533.594	3.304	0	20	KGAD	
C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1	514292823	OMGJZEMTPJURPD-ROUUACIJSA-N	514.673	3.168	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(SCc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)nc1	514301362	ZUEVSVQBPDIWIM-UHFFFAOYSA-N	511.695	3.311	0	20	KGAD	
C[C@H]1CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2cccc(Cl)c2)C[C@@H](C)O1	514374616	CYDQQBJSAMLBRV-KDURUIRLSA-N	592.143	3.337	0	20	KGAD	
COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N3CCCCCC3)c2=O)ccc1OC(F)F	514381871	WFVAPJVTBZYNBJ-UHFFFAOYSA-N	522.614	3.147	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	514388771	YLGPOQMCDFWTQI-UHFFFAOYSA-N	541.695	3.470	0	20	KGAD	
O=C(Nc1ccc(N2CCCCC2)nc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514394516	XMOWGAFQFFJNEE-UHFFFAOYSA-N	500.621	3.273	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@H]1CCN(C2CC2)C1	519920141	NLGPTESDFIIMOU-BBRMVZONSA-N	500.008	3.112	0	20	KGAD	
CC[C@@H](CO)N(C)CC(=O)Nc1c(I)cc(I)cc1I	393289124	FGKTZLLLYTVPPK-VIFPVBQESA-N	614.003	3.142	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1	514292061	JVIIKAKGKNBMMZ-ZJOUEHCJSA-N	505.637	3.030	0	20	KGAD	
CCCCCN(C(=O)CSc1nnc(SCC(=O)NCCC)s1)c1c(O)nc(=O)n(CCCC)c1N	514293795	YHKSKGXWZHRHPR-UHFFFAOYSA-N	557.768	3.117	0	20	KGAD	
CCCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)CC(=O)Nc1ccc(F)c(F)c1F	514381144	ZCWLTMQRLGTNQX-UHFFFAOYSA-N	512.554	3.178	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cc1S(N)(=O)=O	514382965	DBXDSEBHVOHXIH-INIZCTEOSA-N	548.712	3.202	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)CNc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCN(c3ccccc3OC)CC2)CC1	514405367	UKBLDNIXRXJOPS-UHFFFAOYSA-N	615.797	3.266	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3c(Cl)cccc13)CC2	1815633162	QVONXVIXYLKISE-NSHDSACASA-N	500.009	3.481	0	20	KGAD	
O=C(Cn1cc(Cl)cn1)N[C@H]1CCc2nc(NC(=O)c3nc(-c4ccccc4)ns3)sc2C1	1815839539	VLYVBNMIHMBXDJ-AWEZNQCLSA-N	500.009	3.438	0	20	KGAD	
COc1ccc(CCn2c(SCC(=O)NC(N)=O)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC	514293351	TXMAVNLLUDEBOZ-CYBMUJFWSA-N	516.645	3.130	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N(CC)CC)cc3)CC2)cc1	514297760	XBJQQBSKUWBHKT-UHFFFAOYSA-N	523.677	3.155	0	20	KGAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)N2CCCCC2)cc1	514377430	VCCLNDMZBRDFIZ-SANMLTNESA-N	515.676	3.448	0	20	KGAD	
CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(N4CCCCC4)n3C[C@@H]3CCCO3)ccc21	514394364	VFONTJZZWGEHIN-FQEVSTJZSA-N	519.693	3.135	0	20	KGAD	
O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514300634	QGLZXKUQCRACHI-INIZCTEOSA-N	519.571	3.001	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	514385798	VDHASBWNKSFHQN-NRFANRHFSA-N	586.805	3.003	0	20	KGAD	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3O)CC2)c(C)c1	514390959	WZDZDVCXGOXYIA-UHFFFAOYSA-N	535.688	3.141	0	20	KGAD	
O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	514393063	MPLBASYOYDDQNX-UHFFFAOYSA-N	517.673	3.145	0	20	KGAD	
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514394733	RGZNSERIQZEJDO-DBVUQKKJSA-N	502.555	3.439	0	20	KGAD	
CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2scc(-c3cccs3)c2c1=O	514403695	YWSAZULDYNKRSR-JKSUJKDBSA-N	553.753	3.493	0	20	KGAD	
COCCCn1c(SCC(=O)c2ccc(CCNS(C)(=O)=O)s2)nnc1-c1ccc(OC)c(OC)c1	514303180	VGMWPMRWWVQRJS-UHFFFAOYSA-N	554.716	3.127	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c(O)nc1=O	514378047	DHRLOHHRUKXTIV-UHFFFAOYSA-N	549.694	3.254	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)[C@@H]1CCS(=O)(=O)C1	514385525	KQXIZXDVQFOYIA-GOSISDBHSA-N	547.724	3.080	0	20	KGAD	
Cc1ccc([C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)N2CCOCC2)o1	514393998	FBFDEJWARVEHAZ-HSZRJFAPSA-N	541.626	3.353	0	20	KGAD	
C[C@H](Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)C(=O)N(C)Cc1ccc(Br)cc1	514395782	SUVOYYYCRXEQRS-LPHOPBHVSA-N	524.485	3.195	0	20	KGAD	
O=C(Cn1ccncc1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1sc3ccccc3c1Cl)CC2	1824533614	HPHULXLQPRDECS-LBPRGKRZSA-N	500.005	3.494	0	20	KGAD	
CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(OC)cc1)N(C)C	514374904	HREIWCGXPCGXGK-DVECYGJZSA-N	588.756	3.429	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)nc2cc(S(N)(=O)=O)ccc21	514389766	MCHOZBNIXBPMHA-UHFFFAOYSA-N	504.056	3.024	0	20	KGAD	
C[C@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	514392760	ATWQMRPTYDBXGM-ZACQAIPSSA-N	518.665	3.168	0	20	KGAD	
CCCn1c(SCCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)nc2cc(S(N)(=O)=O)ccc21	514392908	HGWWJIHKAKMBOQ-UHFFFAOYSA-N	595.769	3.398	0	20	KGAD	
C[C@@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	514393092	NKXHSAMNJGYCFI-CYBMUJFWSA-N	508.526	3.172	0	20	KGAD	
CN(C)Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1	514394050	GXIBDLRYZDFRCK-KRWDZBQOSA-N	500.484	3.289	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1S(=O)(=O)N1CCOCC1	514401179	OOEFRJVACFOIMZ-UHFFFAOYSA-N	565.714	3.312	0	20	KGAD	
O=C(CN1CCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)CC1)Nc1ccc(F)cc1	514300450	VIKINHDWCCOLJD-UHFFFAOYSA-N	508.623	3.218	0	20	KGAD	
COC(=O)c1c(NC(=O)Cn2ncc(Br)c(Br)c2=O)sc2c1CC[C@H](C)C2	514301982	KCIQCRKZJWOUJS-QMMMGPOBSA-N	519.215	3.380	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)c1	514380635	QZFFYMDAPIVNQB-UHFFFAOYSA-N	592.788	3.272	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	514387632	GUBOMJGPGYAYRX-AWEZNQCLSA-N	502.420	3.344	0	20	KGAD	
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)CCCC1	514390178	AKBRIJOYSDOZNG-MUUNZHRXSA-N	556.711	3.281	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2cnc3c(cnn3C(C)C)c2)CC1	514391539	KYNXVGFHZIEYGA-UHFFFAOYSA-N	527.695	3.437	0	20	KGAD	
COc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514403358	YRQPFHURMLZYEN-KDURUIRLSA-N	517.623	3.099	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nnc12	514293579	VZSVVNAYEDQMOB-UHFFFAOYSA-N	584.724	3.376	0	20	KGAD	
COc1cccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)N2CCCC2)c1	514297526	XVCZATOSBCWQRC-DFIYOIEZSA-N	501.649	3.060	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)s1	514303750	YSNUQILUEAFMHY-GOSISDBHSA-N	598.632	3.258	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)c(C(=O)OC)c1C	514304736	YBIYCZANJUAHCZ-UHFFFAOYSA-N	591.708	3.295	0	20	KGAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514378758	WQWBMSRXFPJQNN-IGKIAQTJSA-N	526.634	3.028	0	20	KGAD	
COC(=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Br)cc1	514389482	HTFJZXYOLNKCCM-FQEVSTJZSA-N	509.422	3.270	0	20	KGAD	
OC[C@H]1O[C@](OC[C@H]2O[C@@H](c3ccc(Cl)c(Cc4ccc(O[C@H]5CCOC5)cc4)c3)[C@H](O)[C@@H](O)[C@@H]2O)(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O	2048529229	RKQFRXUUOLHRAP-CLWDYSMCSA-N	899.814	3.376	0	20	KGAD	
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@@H]1OCc1ccccc1	384140138	QSYUGWSTYDHNMP-JPHCZMGXSA-N	555.649	3.093	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)C[C@@H](C)O1	514294808	CCBZTMNZLBEXOM-HDICACEKSA-N	556.106	3.177	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cccc(I)c2)c(C(=O)OC)c1C	514380559	NAJCOLVNAMSVMY-CQSZACIVSA-N	626.516	3.273	0	20	KGAD	
CSc1nc(C)c(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c(C)n1	514384494	SXZRQRJYFVJZOH-UHFFFAOYSA-N	548.609	3.349	0	20	KGAD	
CCCCCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3	514384720	SZTNOEVGMDZULX-ZWKOTPCHSA-N	553.772	3.424	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	514391356	HXUUQOXYNPRUJA-UHFFFAOYSA-N	555.575	3.226	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2c1	514391457	KEQUYGDWLQLQPA-GOSISDBHSA-N	580.758	3.054	0	20	KGAD	
Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)ccc1Br	514395312	HRWMGSAELMLWLT-DOTOQJQBSA-N	510.458	3.484	0	20	KGAD	
COc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1S(=O)(=O)NC1CCCC1	514292266	JWVIDKLKNGENOZ-UHFFFAOYSA-N	524.437	3.356	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3sc(C(=O)NC)c(C)c3C(=O)OCC)nnc12	514292511	NENZLVXENYOFNB-UHFFFAOYSA-N	586.696	3.108	0	20	KGAD	
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc(S(=O)(=O)N2CCC(C)CC2)c1C	514299999	KDYDOWSSCFCESZ-UHFFFAOYSA-N	532.688	3.447	0	20	KGAD	
C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514374420	BRKLEJCVVSMIPO-MJGOQNOKSA-N	563.727	3.326	0	20	KGAD	
COc1ccc(CCn2c(SC[C@@H](O)CN3CCOCC3)nc3sc4c(c3c2=O)CCCC4)cc1OC	514380407	KEHXHVHGYYNOQT-IBGZPJMESA-N	545.727	3.382	0	20	KGAD	
COc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)n2)cc1	514395735	RQWAOYSBYWHSTB-KBPBESRZSA-N	507.663	3.044	0	20	KGAD	
C[C@H](C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)N1C(=O)c2ccc(Br)cc2C1=O	514402851	RZYXVPOHMFTDQY-CABCVRRESA-N	500.397	3.158	0	20	KGAD	
CCCCN(C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1c(O)nc(=O)n(CC(C)C)c1N	514404980	PAINIQYSSPJHHI-UHFFFAOYSA-N	548.438	3.159	0	20	KGAD	
CCOc1ccc(OC[C@@H](O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2C)cc1	514377729	GZGALXSKLJEBQJ-LJQANCHMSA-N	520.677	3.443	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c(O)nc1=O	514379053	MOWHCOKXMTZLMJ-UHFFFAOYSA-N	620.773	3.312	0	20	KGAD	
CCCn1c(CCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379576	FCEAZGTVEAOAET-BPBCIEFSSA-N	502.681	3.341	0	20	KGAD	
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514383308	GKEVWQHBYSJGHM-UHFFFAOYSA-N	563.529	3.349	0	20	KGAD	
CCCCCNC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1	514396034	ZVBRWGMFFQAGCS-QGZVFWFLSA-N	502.662	3.074	0	20	KGAD	
CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1	514294767	AXPIWRPIYMJGOU-UHFFFAOYSA-N	508.618	3.232	0	20	KGAD	
CCc1ccccc1NC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCCC3	514401937	CIOXSSORXKSWEJ-UHFFFAOYSA-N	514.673	3.393	0	20	KGAD	
Nc1c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)Cc2cccc(Cl)n2)CC3)sc2nccnc12	1815250815	WLJXZCXLAWMVPU-LLVKDONJSA-N	500.009	3.247	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1S(=O)(=O)NC(C)C	514297221	QRFHFZZIBTVZSF-QGZVFWFLSA-N	509.650	3.055	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3	514301068	XRMXGAQXJLJLKM-LBPRGKRZSA-N	506.675	3.289	0	20	KGAD	
CC(C)CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)[C@@H]1CCS(=O)(=O)C1	514302197	MHNMDHDARWLBML-QZTJIDSGSA-N	553.772	3.280	0	20	KGAD	
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1	514382542	OXDNULRXVIRVKY-UHFFFAOYSA-N	514.069	3.456	0	20	KGAD	
COc1cc(CN(C)C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)ccc1OCc1ccccc1	514387985	KZXHCMIMLBBUNY-NRFANRHFSA-N	544.699	3.131	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1	514388966	WOPLRRGFBLNJSX-WMZOPIPTSA-N	504.634	3.111	0	20	KGAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514404357	DSMGIUOWHNSUTA-YADHBBJMSA-N	548.637	3.499	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC1)n2C	514297795	XNOQDCIZMWDIJA-UHFFFAOYSA-N	589.784	3.193	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)c(O)nc1=O	514379263	RKIXDJLRDMMRRU-UHFFFAOYSA-N	613.737	3.373	0	20	KGAD	
CN(CC(=O)NC(C)(C)C)C(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514384860	ZYRZKQQJRFHERE-UHFFFAOYSA-N	507.603	3.060	0	20	KGAD	
CCCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)nc2ccccc2c1=O	514391439	JPTHGLOPIVWVJZ-UHFFFAOYSA-N	542.683	3.024	0	20	KGAD	
COc1cc2nc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n(CCC3=CCCCC3)c(=O)c2cc1OC	514405489	WRMSHYKXMZPCRK-UHFFFAOYSA-N	586.736	3.403	0	20	KGAD	
COc1ccc(CN/C(S)=C(/C(O)=c2ccc3c(c2)CCC(=O)N=3)[n+]2ccc3c(c2)CCCC3)cc1	912783473	DLUCYBUKJIKKRD-UHFFFAOYSA-O	500.644	3.166	0	20	KGAD	
O=C(Cn1cc(Cl)cn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1csc(-c3cccnc3)n1)CC2	1815409366	FHUOXAZBIJANOG-AWEZNQCLSA-N	500.009	3.438	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCN(c3cccc(OC)c3)CC1)n2CC(C)C	514291604	GNDJJEHYNWQFEE-UHFFFAOYSA-N	510.639	3.045	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(NCC(=O)Nc2cc(C)on2)c1	514301237	YNRISMVQKWJSHE-UHFFFAOYSA-N	556.689	3.399	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N(C)Cc2ccccc2Br)n1CCN1CCOCC1)N(C)C	514375040	KEHBCJVWNFJCCI-FQEVSTJZSA-N	539.544	3.136	0	20	KGAD	
Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514375840	XLFSETSUZZTQNU-UHFFFAOYSA-N	556.714	3.236	0	20	KGAD	
COc1ccc(NC(=O)CSc2nnnn2-c2cccc(C)c2C)cc1S(=O)(=O)N1CCCCC1	514384641	RKDMIJXRDWVWSQ-UHFFFAOYSA-N	516.649	3.193	0	20	KGAD	
O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1	514385637	PAAIWAXQTFBLHO-UHFFFAOYSA-N	528.447	3.417	0	20	KGAD	
COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)CC2)c1	514388070	OMDFYFBILLJQHE-UHFFFAOYSA-N	519.649	3.130	0	20	KGAD	
Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)c2cnn(C(C)C)c2n1	514391519	LZCSJOYOVGXROF-UHFFFAOYSA-N	539.706	3.499	0	20	KGAD	
CCCNC(=O)CSc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)s1	514404589	IYPQHBWZWOLCJT-NSHDSACASA-N	538.142	3.179	0	20	KGAD	
CC(=O)N1CCN(C(=O)CSc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2C[C@@H]2CCCO2)CC1	514291030	CNHPCNYZCSYVAF-FQEVSTJZSA-N	526.684	3.395	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(CN4CCCC4)n3-c3ccccc3)cc2)C[C@H](C)O1	514292635	OGDPHGOTJRNUPI-SFTDATJTSA-N	570.741	3.392	0	20	KGAD	
CCOc1ccc(-n2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc([C@H](C)CC)cc4)CC3)c2C)nn1	514303093	UFTZSHNFZCORTF-GOSISDBHSA-N	512.636	3.030	0	20	KGAD	
CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1	514384723	TWSOOASOEFQQSO-UHFFFAOYSA-N	504.660	3.357	0	20	KGAD	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	514386140	FUBXFDDVZWHXOZ-NRFANRHFSA-N	532.091	3.011	0	20	KGAD	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2OC)cc1Cl	514386826	DLBVMDBUHBEEEF-UHFFFAOYSA-N	512.028	3.382	0	20	KGAD	
CCCNC(=O)CSc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)s1	514404588	IYPQHBWZWOLCJT-LLVKDONJSA-N	538.142	3.179	0	20	KGAD	
CCN(C(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1	514375202	MABJWXRXKASCDO-LJQANCHMSA-N	549.715	3.432	0	20	KGAD	
CCOc1cc(-c2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2CCOC)ccc1OCC(=O)N1CCCCC1	514381887	WMDBVRSWIYGFGL-UHFFFAOYSA-N	561.639	3.450	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1	514386196	HCUQPJSUULLXSI-UHFFFAOYSA-N	538.674	3.390	0	20	KGAD	
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1	514387155	JMKNOLUJFDIQSH-GOSISDBHSA-N	513.616	3.469	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12	514389416	GIPZVCDSCGYWRM-UHFFFAOYSA-N	571.729	3.189	0	20	KGAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)nc(=O)c2c1C	514393027	LHJNPRFSSQTUQX-UHFFFAOYSA-N	578.738	3.063	0	20	KGAD	
C[C@@H]1CCCN(c2nnc(SCC(=O)N(CCC(N)=O)c3ccc(F)cc3)n2Cc2ccco2)C1	514393679	IXLMJOAKMJDIIU-QGZVFWFLSA-N	500.600	3.296	0	20	KGAD	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCN(CC(=O)N5CCCC[C@@H]5C)CC4)cc3C2=O)c1	514402642	QHVKGWLNBALDLE-NRFANRHFSA-N	502.615	3.263	0	20	KGAD	
CCCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)nnc12	514293804	WEKCGVYMLIRABC-SFHVURJKSA-N	522.631	3.293	0	20	KGAD	
CCCCN(C(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1c(O)nc(=O)n(CC(C)C)c1N	514296788	UUEPPYOQXUPWSA-BVZFJXPGSA-N	517.627	3.050	0	20	KGAD	
CC1CCN([C@@H](CNC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)c2cccs2)CC1	514377710	GGLFLRILLWESIT-DEOSSOPVSA-N	559.758	3.178	0	20	KGAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N3CCN(Cc4ccsc4)CC3)nc(=O)c2c1C	514389094	YWXPKXBCTMQDMQ-UHFFFAOYSA-N	520.702	3.499	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c(O)nc1=O	514403058	QEVHMQJXXLUNFN-UHFFFAOYSA-N	546.477	3.092	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3)CC2)c(C(=O)OC)c1C	514404475	FCYWTXHANOYJFT-HXUWFJFHSA-N	594.708	3.230	0	20	KGAD	
COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)cc1	514291201	AUXFASZXNIAMNO-FQEVSTJZSA-N	564.730	3.027	0	20	KGAD	
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1	514293481	RDOCTOOLMCJOMT-INIZCTEOSA-N	507.659	3.133	0	20	KGAD	
CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nc4ccccc4c(=O)n3C[C@H]3CCCO3)ccc21	514384393	OXTSFFWEHOWSHG-LJQANCHMSA-N	513.641	3.263	0	20	KGAD	
CCCn1c(CSc2nnc(NC[C@H]3CCCO3)s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514389511	HYQWSDIDOWWYRG-MRXNPFEDSA-N	538.721	3.202	0	20	KGAD	
COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1S(=O)(=O)N1CCOCC1	514394554	YMMKCZIHIOYYOL-UHFFFAOYSA-N	555.575	3.226	0	20	KGAD	
CC(C)C(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)CC1	514403322	SSLHUHMQZIYMJB-UHFFFAOYSA-N	500.440	3.252	0	20	KGAD	
O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc1)N1CCCCC1	514297895	WMFJEXZNUDRFGP-UHFFFAOYSA-N	519.476	3.074	0	20	KGAD	
COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	514380333	HZFOTRFWPCQSEU-ZIAGYGMSSA-N	519.439	3.056	0	20	KGAD	
COCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)c1c(O)nc(=O)n(CC(C)C)c1N	514389169	AYYANZOKKOIJEK-GFCCVEGCSA-N	517.808	3.050	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCc3ccc(COCC(F)(F)F)cc3)CC2)cc1	514392775	BIHQWNFBAFDPBL-UHFFFAOYSA-N	541.592	3.003	0	20	KGAD	
CCN(Cc1ccc(Cl)s1)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C	514299300	KFKGMSXXEUREBW-UHFFFAOYSA-N	511.069	3.290	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)NCc2ccccc2OC(F)(F)F)c(C(=O)OC)c1C	514302723	RCTYWTOKUPNSSU-AWEZNQCLSA-N	598.643	3.245	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514379924	XARILVVWFFRCOO-UHFFFAOYSA-N	561.730	3.298	0	20	KGAD	
COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)N1CCCCCC1	514387165	JULMEGNTDUTOSI-UHFFFAOYSA-N	543.642	3.480	0	20	KGAD	
CCOc1cc(-c2nnc(S[C@@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)o2)cc(OCC)c1OCC	514389106	ZEFJPHYRFYARAG-DOTOQJQBSA-N	527.665	3.449	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)o1)c1c(O)nc(=O)n(CC(C)C)c1N	514290764	APDRUPIHHSKKNI-UHFFFAOYSA-N	607.759	3.193	0	20	KGAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514290803	ABGFUYZSCHDHCL-OAQYLSRUSA-N	561.661	3.015	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)N[C@@H](C)c1ccc(Br)cc1	514301028	WEWQDVHKPZAWKU-INIZCTEOSA-N	526.453	3.158	0	20	KGAD	
C[C@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(=O)Nc1cccc(S(N)(=O)=O)c1	514394566	YQLIJJSWVPPDRG-ZACQAIPSSA-N	518.665	3.168	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(=O)NC[C@H]4CCCO4)cc3)CC2)cc1	514394918	WIQCFELMPAZZBH-JOCHJYFZSA-N	500.621	3.335	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(CCC(N)=O)n2Cc2ccco2)sc2c1CC(C)(C)NC2(C)C	514394987	ZLFLKBHCJNIZBM-UHFFFAOYSA-N	574.729	3.466	0	20	KGAD	
NC(=O)CCn1c(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nnc1C1CC1	514402289	NNFSFKYKPRTEBX-UHFFFAOYSA-N	504.660	3.057	0	20	KGAD	
O=C(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)Nc1cc(Cl)ccc1Cl	514292720	PKBFRXFQQGAYRB-UHFFFAOYSA-N	555.484	3.373	0	20	KGAD	
CCCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)nnc12	514293800	WEKCGVYMLIRABC-GOSISDBHSA-N	522.631	3.293	0	20	KGAD	
COc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)NC3CCCCCC3)cc2)ccc1NC(C)=O	514381520	HZGJKHBBANGQNV-UHFFFAOYSA-N	516.620	3.023	0	20	KGAD	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)ccc2OC)cc1Cl	514394577	ONWHJPHQERCPJA-FQEVSTJZSA-N	556.081	3.253	0	20	KGAD	
CCS(=O)(=O)N1CCc2cc(/C(O)=C(/C(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)[n+]3cccc(O)c3)ccc21	912842473	IWYQLLXYENOZHT-XGHQBKJUSA-O	500.666	3.381	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1	514293665	UZOAPSSARNOTDR-UHFFFAOYSA-N	592.784	3.210	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CSC)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2OC)cc1	514295809	FTXZCOINPUXOOI-ACRUOGEOSA-N	561.682	3.350	0	20	KGAD	
CCOc1c(Br)cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NC(C)(C)C)c2=O)cc1OC	514297693	RAVULWAUCGMHLF-UHFFFAOYSA-N	553.519	3.219	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2)C[C@@H](C)O1	514298651	DSJYKVOYBIDKTB-IAGOWNOFSA-N	574.096	3.316	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1	514380133	GCYASGYURJNKNM-UHFFFAOYSA-N	524.647	3.071	0	20	KGAD	
O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514291127	CGCZRNWZJUNWKL-FQEVSTJZSA-N	526.486	3.411	0	20	KGAD	
COCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)nc2sc3c(c2c1=O)CCCC3	514291793	GZKDMSMGSWTZAF-UHFFFAOYSA-N	647.845	3.335	0	20	KGAD	
COc1cc([C@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)ccc1OC(F)F	514294218	ZHJLYLVPALMQPW-MRXNPFEDSA-N	534.541	3.483	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)O)cc1Br	514298285	ZEJBYSIPKUUVMG-MRXNPFEDSA-N	500.367	3.238	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2)C[C@H](C)O1	514298652	DSJYKVOYBIDKTB-IRXDYDNUSA-N	574.096	3.316	0	20	KGAD	
COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1S(=O)(=O)N1CCOCC1	514299574	FXBUQZQZGXESDZ-UHFFFAOYSA-N	535.673	3.102	0	20	KGAD	
CCn1c(SC[C@@H](O)COCc2ccccc2OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514381131	YUIFKEMHNTYRBV-NRFANRHFSA-N	532.688	3.428	0	20	KGAD	
CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	514402248	MQANDDULYHAEOQ-UHFFFAOYSA-N	520.460	3.427	0	20	KGAD	
COc1cccc(NC(=O)CN(C)C(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c1	514386667	XSJADNGUANFIBG-UHFFFAOYSA-N	512.632	3.409	0	20	KGAD	
O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)Nc1ccc2c(c1)OC1(CCCC1)O2	514393458	BOHAQVGDWADQQD-SFHVURJKSA-N	501.609	3.066	0	20	KGAD	
CC[C@H](C)NC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514395006	AJANJYHEOAXDQR-OALUTQOASA-N	587.724	3.138	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(=O)N3CCCCC3)cc2)C[C@H](C)O1	514293453	UNQCIODIEAUPFW-PMACEKPBSA-N	515.632	3.128	0	20	KGAD	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1	514293782	YAFNFRWSDNYHRT-UHFFFAOYSA-N	534.704	3.272	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3Cc4ccccc4C[C@H]3C(=O)OC)n2[C@H](C)COC)c1	514303407	MDVRJMSDZFNHHY-NLFFAJNJSA-N	615.778	3.402	0	20	KGAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514383839	MLAWFEVFZBAIJN-QZTJIDSGSA-N	515.661	3.048	0	20	KGAD	
NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)CCCc3ccc(Br)s3)CC2)cc1	514388388	SGROBHREGMPVRA-UHFFFAOYSA-N	514.467	3.358	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514296811	KTJKLPZQPPPSPM-SFHVURJKSA-N	503.587	3.314	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)NC(=O)NCc2ccccc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514388610	QVKWRGQWAXFQEX-SFHVURJKSA-N	542.687	3.256	0	20	KGAD	
Cc1sc2nc(SCC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)n(C(C)C)c(=O)c2c1C	514390141	ZDSYYMVAXBBVBO-LBPRGKRZSA-N	506.675	3.373	0	20	KGAD	
O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	514390149	ZIELKMSISRTIFC-UHFFFAOYSA-N	582.752	3.019	0	20	KGAD	
CC(C)c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1Cc1ccco1	514390927	BYYPREIBTQWAEJ-UHFFFAOYSA-N	540.067	3.448	0	20	KGAD	
CCOC(=O)c1c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)sc2c1CCS(=O)(=O)C2	514392768	BASHAHTZJGKISZ-UHFFFAOYSA-N	503.602	3.392	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514295132	AYMBLJMYIVOORN-UHFFFAOYSA-N	590.768	3.433	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc(Br)s4)CC3)CC2)cc1OC	514300537	YDGTWGGESJZQHZ-UHFFFAOYSA-N	572.547	3.273	0	20	KGAD	
Cc1ccccc1CN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)CC1	514381617	LIURGCCMHBXVBK-UHFFFAOYSA-N	523.703	3.333	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N2CCN(CCOc3ccccc3)CC2)c1	514382005	DENPFNWUTRWCTQ-HXUWFJFHSA-N	523.099	3.394	0	20	KGAD	
CCn1c(CCC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514390457	KOEAGBZRXVDOBW-OAQYLSRUSA-N	514.648	3.438	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(NC(=O)NC[C@@H]4CCCO4)cc3)CC2=O)cc1	514393914	AXNXANRLWRTYQZ-XXBNENTESA-N	557.673	3.009	0	20	KGAD	
Cc1ccc(C2=NN(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)[C@H](c3ccco3)C2)cc1	514405021	QKILJIWINGXPDX-PXNSSMCTSA-N	513.645	3.164	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)Cc3ccc4c(c3)OCO4)CC2)cc1	514300186	LGWASJJBIBFNEH-UHFFFAOYSA-N	502.589	3.041	0	20	KGAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514300597	ZIEBKVOHJSZRQZ-UHFFFAOYSA-N	559.733	3.300	0	20	KGAD	
COC(=O)c1cc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)oc1C	514390766	BRUIUQLPVQYUNE-UHFFFAOYSA-N	519.439	3.258	0	20	KGAD	
O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514402618	PSCLBRYGEAGGHL-HHHXNRCGSA-N	577.147	3.155	0	20	KGAD	
C[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514292288	LNPAZMJBGMISRX-HXUWFJFHSA-N	556.714	3.003	0	20	KGAD	
CCCCSc1nnc(SCC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)s1	514300960	VDLYCDPHQZHMCN-UHFFFAOYSA-N	536.705	3.095	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(=O)OC)CC2)Cc2ccccc2Cl)cc1	514388194	QIHCGSUFRRKKNU-UHFFFAOYSA-N	509.024	3.341	0	20	KGAD	
CCCCn1c(SCc2cc(=O)n3cccc(C)c3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514404605	JRUSZTVYVNNGEE-UHFFFAOYSA-N	527.672	3.466	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514297215	QQMGJAOKTIWXCM-UHFFFAOYSA-N	561.730	3.361	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	514300527	XYSRNZGEEWBSNB-UHFFFAOYSA-N	631.695	3.177	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)CC2)c(C)c1	514300726	RTHCKKXKWJIPEE-UHFFFAOYSA-N	526.703	3.104	0	20	KGAD	
CC[C@H](c1nnc(S[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1ccc(OC)cc1)N(C)C	514375193	MPXQIZZELXMVLL-WIYYLYMNSA-N	526.663	3.347	0	20	KGAD	
CNC(=O)NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CCc1ccc(OC)c(OC)c1)CCC3	514376298	GVGUEHCSJGUQKK-CYBMUJFWSA-N	516.645	3.143	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1S(=O)(=O)N(CC)CC	514379598	ANOGDSPIDZDGJM-UHFFFAOYSA-N	527.665	3.063	0	20	KGAD	
O=C(Cc1csc(-c2cccnc2)n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514384781	WWVCGTMXURSXER-UHFFFAOYSA-N	527.672	3.398	0	20	KGAD	
CCOc1ccc(-n2c(S[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)nc3sc4c(c3c2=O)CCC4)cc1	514388551	PAJNJTGIFOBWKP-LSDHHAIUSA-N	533.697	3.119	0	20	KGAD	
COc1cc(CNC(=O)CSc2nnc(N3CCCCC3)n2Cc2ccco2)cc(OC)c1OC	514392887	GNNGKLGSHSMBCX-UHFFFAOYSA-N	501.609	3.344	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(Cc2ccncc2)CC1	514299390	DWUAWGIAEZMHDU-HXUWFJFHSA-N	517.504	3.133	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1	514300165	KSBKKDHJJZFULV-QGZVFWFLSA-N	501.630	3.346	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)C1	514375532	RFKJPGFPGBXVEO-QGZVFWFLSA-N	515.617	3.339	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514376144	CUBMAEXJWHQCSY-AVRDEDQJSA-N	565.714	3.134	0	20	KGAD	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1Br	514380352	IESAFVIWZCNGED-KBPBESRZSA-N	519.439	3.056	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)N(C)Cc2c(F)cccc2Cl)c(C(=O)OC)c1C	514380760	PKAHWUSDDBMUFW-MRXNPFEDSA-N	581.109	3.481	0	20	KGAD	
O=C(CCSc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514381026	ZEDUPRRUUUYSLB-UHFFFAOYSA-N	526.080	3.318	0	20	KGAD	
CCn1c(CCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514382809	WDRXEQUOAUEWTM-UHFFFAOYSA-N	536.073	3.376	0	20	KGAD	
COc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc(OC)c1OC	514393776	JYKRNIGSUSONSU-MRXNPFEDSA-N	527.437	3.192	0	20	KGAD	
Cc1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1S(=O)(=O)Nc1ccccc1F	514401973	HUMAHAGVYAYVKG-UHFFFAOYSA-N	502.568	3.470	0	20	KGAD	
CCc1c(C)sc2nc(SCC(=O)Nc3nc(CC(=O)OC)cs3)n(C[C@H]3CCCO3)c(=O)c12	514291413	DYHBLYGZHYBKAC-CQSZACIVSA-N	522.674	3.411	0	20	KGAD	
O=C(NC[C@@H](c1cccs1)N1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514378946	ZTONTWNHZJVYPQ-NRFANRHFSA-N	519.689	3.263	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)CC2)cc1OC	514381865	WABOQBGGENPURS-QHCPKHFHSA-N	531.675	3.066	0	20	KGAD	
O=C1CCc2cc(=C(O)/C(=C(/S)Nc3cccc(C(F)(F)F)c3)[n+]3cccc(CO)c3)ccc2=N1	912785008	XNIHMKWDRFBDIU-UHFFFAOYSA-O	500.522	3.112	0	20	KGAD	
O=C(NC[C@H](c1cccs1)N1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514378948	ZTONTWNHZJVYPQ-OAQYLSRUSA-N	519.689	3.263	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)n1-c1ccc(OC)cc1)N(C)C	514386719	ZNJLZZDAZKBFNJ-FQEVSTJZSA-N	532.692	3.236	0	20	KGAD	
CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1	514395534	MTORZBVPQFEHLY-UHFFFAOYSA-N	573.741	3.333	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Sc2nccn2-c2ccc(C)cc2C)c(O)nc1=O	514404187	BLGPAPLIXQYINT-GOSISDBHSA-N	514.652	3.294	0	20	KGAD	
CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CCN(CC(=O)Nc2cc(C)on2)CC1	514404286	AXCUWUFAQPGOEW-UHFFFAOYSA-N	505.619	3.167	0	20	KGAD	
CCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514293751	WTEXIDYVZSXRFH-QGZVFWFLSA-N	610.762	3.267	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3	514373997	CVGUZXRPZOTZDH-UHFFFAOYSA-N	550.684	3.036	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)C1	514375531	RFKJPGFPGBXVEO-KRWDZBQOSA-N	515.617	3.339	0	20	KGAD	
O=C(CN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1C(F)(F)F	514383055	BPDHLJXLEQZKAB-UHFFFAOYSA-N	534.398	3.498	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(O)nc1=O	514295063	GCMXKBRLHUTTAH-GOSISDBHSA-N	543.646	3.192	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1	514296135	JXZQEJRHLQZAGI-KRWDZBQOSA-N	522.023	3.140	0	20	KGAD	
COc1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1S(=O)(=O)N1CCCC1	514299557	IQFWKJCHWJOHKV-UHFFFAOYSA-N	511.566	3.457	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514301067	XRMXGAQXJLJLKM-GFCCVEGCSA-N	506.675	3.289	0	20	KGAD	
CN1CCc2nc3ccccc3c(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)c2C1	514379403	RXURJDRQNLSGLJ-UHFFFAOYSA-N	535.489	3.193	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	514404609	JTWHLBWKYLNVHP-WOJBJXKFSA-N	535.688	3.220	0	20	KGAD	
CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	514292452	LBHWOKZZEWLSJC-GASCZTMLSA-N	525.421	3.467	0	20	KGAD	
CCN(C(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1	514293095	RKDLCRVEUQXYIH-SFHVURJKSA-N	537.462	3.359	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c(O)nc1=O	514374473	CZORKNZFIKZRPZ-UHFFFAOYSA-N	545.666	3.460	0	20	KGAD	
CCc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)sc1C	514376118	CCZROAFFOVUKSM-UHFFFAOYSA-N	500.042	3.004	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC(C)C)CC2)c(C)c1	514379411	UFQIMPJCBQSSCB-UHFFFAOYSA-N	579.741	3.151	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO2)cc1	514382708	AYMIJEZDZPFFAT-IFMALSPDSA-N	534.704	3.183	0	20	KGAD	
CSc1nc2nc(C)c(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)c(C)n2n1	514385218	DFQNJFFFNPKKDH-GASCZTMLSA-N	502.666	3.311	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)NCCOc3ccc(OCC)cc3)nnc12	514386217	HXVRWOONTRSTNN-UHFFFAOYSA-N	525.631	3.157	0	20	KGAD	
O=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	514386505	QGKOINYYLWKMNF-LJQANCHMSA-N	567.520	3.116	0	20	KGAD	
CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1	514404727	KFXJMNWHBAQCKI-UHFFFAOYSA-N	516.712	3.054	0	20	KGAD	
CCOc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)CC1	514296328	LKCXEXHHMANWGJ-UHFFFAOYSA-N	542.702	3.059	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(CCOc3ccccc3)CC1)n2CC	514299365	MPEBOMROKFHIRU-UHFFFAOYSA-N	541.718	3.243	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3ccccc3OC)n2C)C2CCCC2)c(O)nc1=O	514301730	DBYMXFHITSSBKN-UHFFFAOYSA-N	527.651	3.203	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1	514382857	ATYUIGXJVNDBSG-UHFFFAOYSA-N	514.604	3.104	0	20	KGAD	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1ccc(S(=O)(=O)N3CCOCC3)cn1)CC2	514384707	UOPPMXPUKYKQIX-MUUNZHRXSA-N	569.705	3.386	0	20	KGAD	
CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514386930	IUPRNPUJTQMNMU-SFHVURJKSA-N	567.417	3.289	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1	514404285	AWSUVNOPDZZQDU-UHFFFAOYSA-N	520.051	3.266	0	20	KGAD	
CC(C)Oc1ccc(/C(O)=C(/C(=S)NCc2ccc(S(N)(=O)=O)cc2)[n+]2cccc(O)c2)cc1	726572468	WCVPUWYYSSASPJ-UHFFFAOYSA-O	500.622	3.115	0	20	KGAD	
CCOC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)s1	514294878	CUYOBXDCLXTGNQ-UHFFFAOYSA-N	526.706	3.466	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(-c3nnc4n3CCCCC4)c1)n2C	514295899	GKEHFHHTGBEZHW-UHFFFAOYSA-N	521.647	3.380	0	20	KGAD	
CCn1c(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514300607	PDAMWFQQTVNVKB-UHFFFAOYSA-N	561.755	3.369	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1CCN1CCOCC1)N(C)C	514375705	UHPLLONNQJYKTP-GOSISDBHSA-N	500.591	3.373	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1S(=O)(=O)N(C)C	514378715	VPGLAPHALMEGBG-ORGXJRBJSA-N	535.688	3.301	0	20	KGAD	
COC(=O)c1csc(S(=O)(=O)N2CCN([C@H](C)c3nc(O)c4c5c(sc4n3)C[C@H](C)CC5)CC2)c1	514387312	GKRKXJKDLNYAOM-ZIAGYGMSSA-N	536.701	3.437	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)n1-c1ccc(OC)cc1)N(C)C	514292034	JZFDZDUOFNUXDM-PZJWPPBQSA-N	523.725	3.052	0	20	KGAD	
CCn1c(Cc2ccccc2)nnc1SCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514294241	ZTZSLTSSBYPQDK-UHFFFAOYSA-N	513.668	3.171	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514380511	MAQOGRFWXICHNW-QGZVFWFLSA-N	523.055	3.421	0	20	KGAD	
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514383475	JRMZNXZZOKZEKX-UHFFFAOYSA-N	519.674	3.017	0	20	KGAD	
O=C(Cn1cc(Cl)cn1)N[C@@H]1CCc2nc(NC(=O)c3nc(-c4ccccc4)ns3)sc2C1	1815839542	VLYVBNMIHMBXDJ-CQSZACIVSA-N	500.009	3.438	0	20	KGAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514291205	AXHKVETUFPPVSI-UHFFFAOYSA-N	582.645	3.418	0	20	KGAD	
CCCCN(C(=O)CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)[C@@H]1CCS(=O)(=O)C1	514298787	FWGMQKWDJSZTBS-MRXNPFEDSA-N	510.041	3.082	0	20	KGAD	
COc1ccc(C2=NN(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)[C@@H](c3ccco3)C2)cc1	514388945	VYOPLXMPRMQDSQ-HNAYVOBHSA-N	516.601	3.118	0	20	KGAD	
COc1cc(OC)cc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c2nccn2C)c1	514390575	PFRGYZZVHDQXLW-XMMPIXPASA-N	512.632	3.440	0	20	KGAD	
C[C@@H](NC(=O)CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)c1ccc(Br)cc1	514402979	OCVMZJRCKNWUQT-CRAIPNDOSA-N	510.458	3.026	0	20	KGAD	
CCn1c(CCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)nc2cc(S(=O)(=O)N(C)C)ccc21	514293329	PKRHCMDYMQKEPF-UHFFFAOYSA-N	564.506	3.407	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)Cc2cc(OC)c(OC)c(OC)c2)c(O)nc1=O	514295573	KXODEAGOMORJLE-UHFFFAOYSA-N	526.590	3.142	0	20	KGAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514303414	MMQRQQCRKYACND-OAQYLSRUSA-N	561.661	3.015	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)CC1	514376606	OQQQMBDNIRIYTF-KRWDZBQOSA-N	524.709	3.369	0	20	KGAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)Nc1ccc(F)cc1Cl	514379548	CWNNSKKHYAPENZ-UHFFFAOYSA-N	525.908	3.492	0	20	KGAD	
CC(C)CCn1c(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514389009	XHYOMGRVQVDBBC-BZUAXINKSA-N	511.735	3.413	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c(O)nc1=O	514390494	LNTSCLMKQKMHQE-UHFFFAOYSA-N	514.652	3.061	0	20	KGAD	
CCCn1c(CCC(=O)NC2CCN(Cc3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514403709	ZLQACWRSHKVSIT-UHFFFAOYSA-N	553.729	3.181	0	20	KGAD	
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1OCCCCCCN)C(C)(C)C	1775964634	QZBLLLSKBUMHRD-ONBPZOJHSA-N	587.787	3.145	0	20	KGAD	
COc1ccc(CSc2nnc(SCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)s2)cc1	514299798	IUSKBMZACMOAPK-FUHWJXTLSA-N	529.731	3.126	0	20	KGAD	
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	514374940	IMEPHTYTOBBWEX-OALUTQOASA-N	529.688	3.418	0	20	KGAD	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N	514377827	KYSIWHHXFYOKFQ-UHFFFAOYSA-N	543.543	3.147	0	20	KGAD	
COc1ccc(NC(=O)CCSc2nnnn2C2CCCCC2)cc1S(=O)(=O)N1CCCCC1	514391374	IKLXTZKJNZUXLC-UHFFFAOYSA-N	508.670	3.482	0	20	KGAD	
CC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514395005	AJANJYHEOAXDQR-MOPGFXCFSA-N	587.724	3.138	0	20	KGAD	
CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(Cc2ccccc2)CC1	514400923	FGTGCTBPFTZVGP-JOCHJYFZSA-N	521.477	3.464	0	20	KGAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	514298115	YFFVEJCYOQYBMT-JOCHJYFZSA-N	575.709	3.239	0	20	KGAD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(OCc4nnc(-c5ccc(Cl)cc5)o4)c3c2)C1	514376139	CRXUEKTUFYIFTE-GASCZTMLSA-N	502.984	3.430	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)c1	514376601	OQFPKSQQDUZSMZ-UHFFFAOYSA-N	634.825	3.042	0	20	KGAD	
COc1ccccc1N1C[C@H](C(=O)N(CCC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1=O	514378754	WQCFIMISVOIPAJ-HXUWFJFHSA-N	519.602	3.020	0	20	KGAD	
CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[C@H]1c1ccc(OC)cc1	514382583	QQHVNLCXGBMSRI-YIXXDRMTSA-N	559.685	3.443	0	20	KGAD	
O=C(O)c1cc(COc2cc(C(=O)O)cc(C(=O)O)c2)cc(COc2cc(C(=O)O)cc(C(=O)O)c2)c1	2048532919	TVSOWOCPQXTATN-UHFFFAOYSA-N	510.407	3.336	0	20	KGAD	
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)cc1	514292786	MZYGSDBEQSERTO-MOPGFXCFSA-N	523.677	3.124	0	20	KGAD	
COc1ccc(NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)cc1S(=O)(=O)N1CCCCC1	514296756	NVJZYLLNXNPZBT-UHFFFAOYSA-N	536.459	3.094	0	20	KGAD	
CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1	514296795	KRRIMAKGVKSEOM-CQSZACIVSA-N	518.865	3.213	0	20	KGAD	
Cc1ccn2c(CN3CCN(C(=O)C4CCN(S(=O)(=O)c5ccc6c(c5)CCC6)CC4)CC3)c(C)nc2c1	514299460	FWBBGOMLWRRJQP-UHFFFAOYSA-N	535.714	3.185	0	20	KGAD	
COc1ccc(CSc2nnc(SCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)s2)cc1	514299801	IUSKBMZACMOAPK-WMZOPIPTSA-N	529.731	3.126	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(SCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)nc1	514386542	RQXKEUMIIHSWAT-UHFFFAOYSA-N	543.509	3.372	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)c(C(=O)OC)c1C	514291703	FPCQFUMEIKHAHS-UHFFFAOYSA-N	559.460	3.432	0	20	KGAD	
CCOc1ccc(NC(=O)CNC(=O)c2ccccc2OC(F)F)cc1S(=O)(=O)N1CCCCC1	514299305	KJKBYFHSFLOQLL-UHFFFAOYSA-N	511.547	3.230	0	20	KGAD	
CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n1CCN1CCOCC1)N(C)C	514303015	IVBXVPOQWTZYDU-YOEHRIQHSA-N	516.499	3.444	0	20	KGAD	
CCCCN(C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CCC)c1c(O)nc(=O)n(CCC)c1N	514379257	RDNSQPPJCAVRSE-UHFFFAOYSA-N	589.763	3.497	0	20	KGAD	
O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2	514384507	ULKRCYDSIMGMHC-FQEVSTJZSA-N	503.646	3.483	0	20	KGAD	
CCOCCCn1c(S[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514387641	HAQUODHQOYESMA-DOTOQJQBSA-N	560.536	3.102	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCC(NC(=O)c3ccccc3)CC1)n2CC(C)C	514392573	YEWMHYCRHZNCLX-UHFFFAOYSA-N	522.650	3.108	0	20	KGAD	
CCCn1c(=O)n(C)c(=O)c2c(S[C@H](C)C(=O)Nc3cc(NC(C)=O)ccc3OC)nc(C(C)C)nc21	514395613	OMSPBKRZBPMGSI-CQSZACIVSA-N	528.635	3.110	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCc3nc4cc(S(=O)(=O)N5CCOCC5)ccc4n3CC)nnc12	514292974	PSEVAHAOLQWCKV-UHFFFAOYSA-N	611.750	3.154	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1	514380151	GOVCQISCYJWFTB-KRWDZBQOSA-N	527.474	3.060	0	20	KGAD	
O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514382608	RYPHPWCLLYWEMC-UHFFFAOYSA-N	530.594	3.452	0	20	KGAD	
Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2c1C	514382896	BQLWAHGESWQZSG-UHFFFAOYSA-N	511.673	3.076	0	20	KGAD	
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	514385483	ITEHPVZXSUUXDN-UHFFFAOYSA-N	562.117	3.161	0	20	KGAD	
O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H](c2nnc3ccccn23)C1	514389480	HSSGPMGZVRGEAA-ZDUSSCGKSA-N	501.918	3.086	0	20	KGAD	
O=C(CSc1ncnc2ccsc12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514392486	XUFMFOYFCOXSSK-UHFFFAOYSA-N	519.674	3.043	0	20	KGAD	
CN(C(=O)CSc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1	514395062	BPNDFWCKXZLYJL-BWKNWUBXSA-N	511.623	3.354	0	20	KGAD	
COc1ccc([C@H](CNC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)N2CCOCC2)cc1OC	514395374	JBWJJLYQMFTWRA-DEOSSOPVSA-N	571.721	3.316	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c(O)nc1=O	514294851	CFUOVZRNZGLRIK-HXUWFJFHSA-N	519.602	3.235	0	20	KGAD	
CN(CC(=O)Nc1cc(Br)ccc1N1CCOCC1)S(=O)(=O)c1ccc(Cl)s1	514382827	WLGSGBUKLWRPQK-UHFFFAOYSA-N	508.847	3.260	0	20	KGAD	
O=C(CN1CCN(C(=O)CCN2C(=O)CSc3ccccc32)CC1)Nc1ccccc1C(F)(F)F	514400908	DRYJMYJRPNYLCZ-UHFFFAOYSA-N	506.550	3.317	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)CC2)cc1	514291262	CMRXAWUXSMEHAQ-RUZDIDTESA-N	515.676	3.448	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)ccc1C	514292245	JHTJABZLCULLGL-UHFFFAOYSA-N	523.677	3.461	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c1	514292655	NMZSGOVRIZEAKT-QGZVFWFLSA-N	523.681	3.313	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514301250	YQEFSZZLNUAIOX-UHFFFAOYSA-N	582.771	3.365	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(Cc3ccc(Br)s3)CC2)nc2cc(S(N)(=O)=O)ccc21	514402122	FXUHZSNSLBHXFM-UHFFFAOYSA-N	554.536	3.195	0	20	KGAD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1	514405119	PPVMKCAZMVHQNM-UHFFFAOYSA-N	531.686	3.433	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)c1	514290936	CYJUCDMYRWDTLO-IBGZPJMESA-N	623.779	3.216	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514291460	DTLIGKAMNYMDIH-UHFFFAOYSA-N	539.702	3.394	0	20	KGAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	514294915	DDLJUWMGYRLALO-MOVYAIRMSA-N	565.648	3.408	0	20	KGAD	
COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)N2CCCCC2)cc1	514379619	BHSFWRRDKKVJCO-NOZRDPDXSA-N	501.649	3.110	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C	514380256	KNSJINLGFSTMKT-UHFFFAOYSA-N	541.674	3.176	0	20	KGAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)Nc1cccc(Cl)c1	514380296	LIUBKEGVIGVFKT-UHFFFAOYSA-N	507.918	3.353	0	20	KGAD	
CCCCNS(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1	514383935	HXPOQXUUPHCEIX-UHFFFAOYSA-N	515.604	3.083	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)c(O)nc1=O	514386112	DFXGRAFFQBBRTE-UHFFFAOYSA-N	591.760	3.021	0	20	KGAD	
COC(=O)CCCCCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)nc2ccccc2c1=O	514386637	WGPKPHBURLRJKD-UHFFFAOYSA-N	560.698	3.419	0	20	KGAD	
COc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)ccc1N1CCCC1=O	514393336	XFUALCLCURGKNK-UHFFFAOYSA-N	500.621	3.315	0	20	KGAD	
O=C(c1cc(I)cc(I)c1I)N1CCC[C@@H](CO)C1	59245822	ZXOLYCODVJPMET-MRVPVSSYSA-N	596.972	3.345	0	20	KGAD	
CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514290814	AHKXTIGMWLUOFD-UHFFFAOYSA-N	504.634	3.200	0	20	KGAD	
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	514374943	IMEPHTYTOBBWEX-RTBURBONSA-N	529.688	3.418	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1	514377100	LNTPIBLQATWIGC-QGZVFWFLSA-N	519.620	3.125	0	20	KGAD	
CCOc1ccc(NC(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)cc1S(=O)(=O)N(CC)CC	514386155	GBLBZJRSJHWMJK-UHFFFAOYSA-N	570.715	3.238	0	20	KGAD	
COC(=O)CCNC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1	514394844	UNPZCTZTNWSLRR-UHFFFAOYSA-N	515.632	3.116	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1c(O)nc(=O)n(CC(C)C)c1N	514403550	MQRZQXBTDMCECN-UHFFFAOYSA-N	511.608	3.500	0	20	KGAD	
COC(=O)C1CCN(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)CC1	514375667	UWWPSNWBDSIDQT-UHFFFAOYSA-N	523.606	3.358	0	20	KGAD	
COc1cc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc(OC)c1OC	514378086	QYHMNSRBJYNXGP-UHFFFAOYSA-N	516.620	3.345	0	20	KGAD	
CCOC(=O)c1sc(NC(=O)CSc2nnc([C@H](CC)N(C)C)n2CCN2CCOCC2)c(C(=O)OCC)c1C	514293039	OZAMHGGHXAVWPP-SFHVURJKSA-N	596.776	3.077	0	20	KGAD	
CCOC(=O)CSc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)s1	514296773	QACBQKYUCCPCQM-UKRRQHHQSA-N	528.678	3.311	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)CC1	514301822	DGUALWWRQWQJMQ-UHFFFAOYSA-N	593.772	3.496	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1c(O)nc(=O)n(CCC)c1N	514375627	UAPDNXSPNAGHCX-UHFFFAOYSA-N	605.743	3.091	0	20	KGAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1	514382946	CILLAVZYPXNPJP-QGZVFWFLSA-N	526.706	3.062	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCN(CC(=O)Nc3ccccc3Cl)CC1)n2CC(C)C	514384160	NFVMCIOBYXELPS-UHFFFAOYSA-N	572.110	3.124	0	20	KGAD	
COc1ccc(-c2cc3nc(CSc4nnc(C[C@@H]5CCS(=O)(=O)C5)n4C)[nH]c(=O)c3s2)cc1	514391453	JZWADRPVXYOPCJ-ZDUSSCGKSA-N	517.658	3.058	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3)CC2)c(C(=O)OC)c1C	514404474	FCYWTXHANOYJFT-FQEVSTJZSA-N	594.708	3.230	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514293404	RLJCAENDPJINOX-LJQANCHMSA-N	515.657	3.478	0	20	KGAD	
O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cc(Br)ccc1N1CCOCC1	514387445	HRFDHPUHTWWQRP-UHFFFAOYSA-N	579.473	3.007	0	20	KGAD	
O=c1nc(O)c2c(SC[C@H](O)COc3cccc(Br)c3)nc(C3CC3)nc2n1C1CC1	514394897	VWWZBZAJBRUICD-CQSZACIVSA-N	505.394	3.399	0	20	KGAD	
CCOC(=O)CCCNC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1	514290792	BPRLHLVYPOUSAC-UHFFFAOYSA-N	544.699	3.009	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)c(O)nc1=O	514378017	CCNIJGZEZMNTMB-UHFFFAOYSA-N	595.726	3.117	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1C	514379789	YVYVQUMRFJGHKA-UHFFFAOYSA-N	556.106	3.017	0	20	KGAD	
COC(=O)c1ccc(C)c(NC(=O)CCCCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	514296685	NMIUAFUQACAIMW-UHFFFAOYSA-N	551.687	3.044	0	20	KGAD	
O=C(CN1CCN(C[C@H](O)COc2cccc(Br)c2)CC1)Nc1ccc(OC(F)(F)F)cc1	514385101	ZYAQRUWXAUGCQV-SFHVURJKSA-N	532.357	3.344	0	20	KGAD	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	514385493	JFCGRIXIULNIFB-QFIPXVFZSA-N	546.118	3.070	0	20	KGAD	
C[C@@H]1Cc2cc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)ccc2N1S(C)(=O)=O	514403384	UIVWFCQXFSPSKG-CYBMUJFWSA-N	502.946	3.427	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3sc4c(c3c(=O)n2CC)CC[C@@H](C)C4)c(O)nc1=O	514291947	JRDRYSUZJALJFV-OAHLLOKOSA-N	576.745	3.019	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@@H]3CCCO3)CC2)c(C(=O)OC)c1C	514292145	LMXKZYAPUMRRHR-QFIPXVFZSA-N	649.788	3.294	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)COc2c(I)cc(Cl)c3cccnc23)c(O)nc1=O	514292878	PRLQQAZSIINJFB-UHFFFAOYSA-N	601.829	3.196	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H](C)CCc2ccccc2)c(C(=O)OC)c1C	514296450	LVGPPJCNNDUMMD-MAUKXSAKSA-N	556.728	3.167	0	20	KGAD	
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O	514301683	BYXZLOQJBPRQTM-SFHVURJKSA-N	512.053	3.320	0	20	KGAD	
O=C([C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c2ccccc2O1)N1CCOCC1	514303912	QMABKDPCAYVASJ-QFIPXVFZSA-N	568.479	3.047	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1	514380530	MNHZXHURTHDKPV-UHFFFAOYSA-N	514.673	3.463	0	20	KGAD	
COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2)C1	514389042	XSRBLSUZCYWEKX-KRWDZBQOSA-N	537.660	3.046	0	20	KGAD	
Oc1nc(CN2CCN(c3nc(CN4CCOCC4)nc4sc5c(c34)CCCC5)CC2)nc2ccccc12	514390944	CRKINBOKPPGZFC-UHFFFAOYSA-N	531.686	3.373	0	20	KGAD	
CCn1c(SCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514395626	OUVXZCICCOTIDD-UHFFFAOYSA-N	585.752	3.112	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1S(=O)(=O)N1CCCCC1	514403990	VWDODQYFFXENIQ-QGZVFWFLSA-N	521.661	3.358	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCNC(=O)c1ccc(Br)cc1	514292130	LAXKFSABLIEKPN-IBGZPJMESA-N	519.392	3.275	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@H](CSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	514294724	AGDXGBDXVIIMSC-SBHAEUEKSA-N	537.704	3.105	0	20	KGAD	
Cc1sc2nc(CS[C@H](C)C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)nc(O)c2c1C	514303544	WXOQKKACQLVJCO-GOSISDBHSA-N	513.689	3.096	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)o1)c1c(O)nc(=O)n(CC(C)C)c1N	514375230	MZLCXDDXBBHSBD-UHFFFAOYSA-N	532.623	3.180	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc(OC[C@@H]2CCCO2)cc1	514377577	ALJVJRHWTVGUSP-IBGZPJMESA-N	544.548	3.459	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)CC2)cc1	514379534	CQKQPDQGFNUJMA-UHFFFAOYSA-N	604.976	3.345	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)CC2)cc1C	514385720	SFEOECONGUOBFG-HXUWFJFHSA-N	561.755	3.428	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387332	CRIVXOAGDMDSJQ-MRXNPFEDSA-N	504.634	3.205	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)c(O)nc1=O	514390204	BFVUOSWTPMAHRA-SSEXGKCCSA-N	645.805	3.302	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)[C@H]1CCS(=O)(=O)C1	514395188	FFKDCBGOHRDMJM-ICSRJNTNSA-N	543.715	3.167	0	20	KGAD	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)cc1	514404157	AKAKHLMRWZDGNA-UHFFFAOYSA-N	557.673	3.324	0	20	KGAD	
COCCOc1cc2ncnc(Oc3ncnc4cc(OCCOC)c(OCCOC)cc34)c2cc1OCCOC	2048528956	RFEWFDKJISKAQX-UHFFFAOYSA-N	570.599	3.466	0	20	KGAD	
CCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nnc1[C@@H](CC)N(C)C	514294379	YDDAASKJWCGIPG-HXUWFJFHSA-N	559.158	3.496	0	20	KGAD	
COc1ccc(CCN2C[C@@H](C(=O)N(CCC(C)C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)CC2=O)cc1OC	514296960	UKFRPTKAIMDLMY-QHCPKHFHSA-N	577.682	3.067	0	20	KGAD	
Cc1cc(F)ccc1NC(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514298128	YPANNBZFUYQRNY-UHFFFAOYSA-N	511.641	3.396	0	20	KGAD	
COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1	514377668	DPCILKXHENBIMY-IBGZPJMESA-N	551.731	3.273	0	20	KGAD	
CC1(C)Cc2cccc(OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OCC(F)(F)F)c2O1	514377893	NMUHJKUOIIISBZ-UHFFFAOYSA-N	544.548	3.380	0	20	KGAD	
C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc1)C2=O	514380781	QHLZSVVXTHQKSW-QLXKLKPCSA-N	542.614	3.088	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1	514382080	FTGMDXCUULJZAZ-KRWDZBQOSA-N	546.049	3.349	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc(C(C)C)cc4)CC3)CC2)c(C(=O)OC)c1C	514382526	OKQJCCHYJRDPFS-UHFFFAOYSA-N	605.779	3.498	0	20	KGAD	
Cc1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(CCC3CCCC3)n2)cc1S(=O)(=O)N1CCOCC1	514393823	LRXDOTCNVIUGBF-QGZVFWFLSA-N	507.682	3.376	0	20	KGAD	
COc1ccc([C@H](CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)N2CCOCC2)cc1OC	514395599	OGFMQBYSHJGGCS-OFNKIYASSA-N	596.544	3.057	0	20	KGAD	
O=C(/C=C/c1ccc(O)c(O)c1/C(=C\c1ccc(O)c(O)c1)C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O	256231681	SOXUSBQFIOBYJU-VPIXDIMLSA-N	718.620	3.363	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)nnc12	514292594	NWDOTFGRACZZGE-UHFFFAOYSA-N	614.750	3.385	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccc(OC)c3)N3CCCC3)CC2)cc1	514297333	UYSOPDDAGBZMHH-SANMLTNESA-N	543.686	3.226	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)sc(C(C)=O)c1C	514376612	OQTRBBGMCVBZMZ-UHFFFAOYSA-N	509.635	3.324	0	20	KGAD	
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@H](C(=O)NC[C@H]4CCCO4)C(C)C)nnc23)c1	514403188	WRXMHCVJEOQDDO-KNQAVFIVSA-N	507.616	3.454	0	20	KGAD	
CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)n1CCN1CCOCC1)N(C)C	514292916	NUNWERFKRFZAHO-XXBNENTESA-N	616.254	3.426	0	20	KGAD	
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	514296517	RRQSEHCSHJJROR-SFHVURJKSA-N	560.525	3.387	0	20	KGAD	
CS(=O)(=O)c1ccc(Cl)c(NC(=O)CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	514296877	PAOHTPHPCHHTJE-UHFFFAOYSA-N	500.042	3.359	0	20	KGAD	
CNS(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)ccc1C	514299351	MCJVSPJIPUDGLE-UHFFFAOYSA-N	609.362	3.468	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1	514389616	LJLRCLWBSHGYPP-UHFFFAOYSA-N	521.705	3.270	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nnc2n(-c3cc(C)ccc3OC)c(=O)c3ccccc3n12)[C@@H]1CCS(=O)(=O)C1	514395937	XKCRBHFHVZIIIM-RBUKOAKNSA-N	569.709	3.257	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(=O)[nH]c1=O	15324334	OEOCWGXSPNXNHE-JOCHJYFZSA-N	522.602	3.332	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)c(O)nc1=O	514300496	WTZKYYSITLKRIH-UHFFFAOYSA-N	547.657	3.157	0	20	KGAD	
O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	514384170	NKERTMJJEMCUFK-UHFFFAOYSA-N	526.684	3.181	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O	514385564	MOHHOUXSBBTWCC-UHFFFAOYSA-N	504.440	3.066	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)sc(C(=O)NC)c1C	514390772	UWTWGRGEROZJHB-UHFFFAOYSA-N	502.618	3.272	0	20	KGAD	
O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514377480	XVHPEDUNIPPUEK-RUZDIDTESA-N	530.691	3.248	0	20	KGAD	
COc1ccc(Cn2c(SCC(=O)NC[C@@H]3CN(CC(C)C)CCO3)nc3ccccc3c2=O)cc1	514386339	LDBFYCHQITYTBD-JOCHJYFZSA-N	510.660	3.019	0	20	KGAD	
Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)c1	514404136	ZOQWBXKRWAWHEK-UHFFFAOYSA-N	510.454	3.399	0	20	KGAD	
O=c1nc(O)c2c(SC[C@@H](O)COc3cccc(Br)c3)nc(C3CC3)nc2n1C1CC1	514394896	VWWZBZAJBRUICD-AWEZNQCLSA-N	505.394	3.399	0	20	KGAD	
COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC	514394991	ZRUWWHLQXIEHSK-OAQYLSRUSA-N	518.632	3.485	0	20	KGAD	
O=C(Cn1ccncc1=O)N[C@@H]1CCc2nc(NC(=O)c3cc4c(Cl)cccc4s3)sc2C1	1818574559	JGYHYFAPLDIFRR-GFCCVEGCSA-N	500.005	3.494	0	20	KGAD	
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1	514295593	FLBSUSJRNXPCMM-UHFFFAOYSA-N	539.683	3.384	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(COCC(F)(F)F)cc1)n2C	514295674	CVQQSOFXXMYDCB-UHFFFAOYSA-N	512.554	3.152	0	20	KGAD	
COc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)cc(Br)c1O	514296315	HLRULOONTKYSPC-MRXNPFEDSA-N	552.447	3.380	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)CC2)c(C(=O)OC)c1C	514377552	ZMYYVQJRTUDNDI-UHFFFAOYSA-N	565.670	3.264	0	20	KGAD	
Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)ccc2C)c(C)c1	514383386	CWRFWICMGKGUOT-UHFFFAOYSA-N	500.665	3.003	0	20	KGAD	
COc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc(OC)c1Br	514386852	FUCKXMMFZVWXCK-UHFFFAOYSA-N	506.397	3.392	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(SCC(=O)N[C@@H](C)c3ccc(Br)cc3)n2c1	514390681	AIEZTTKXTAENRZ-AWEZNQCLSA-N	526.482	3.492	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1	514390917	BIXBJMAXSWYJSL-UHFFFAOYSA-N	526.011	3.038	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514402835	RSJYPUQPFSFKFP-UHFFFAOYSA-N	549.719	3.346	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CSc3nnnn3C3CCCC3)ccc2OC)cc1	514403482	ZCVKDIKZXHLNPD-UHFFFAOYSA-N	518.621	3.337	0	20	KGAD	
Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1	514296284	JDTVOOXLWJSIGR-UHFFFAOYSA-N	504.056	3.067	0	20	KGAD	
COCCN(C(=O)CCC(=O)Nc1cccc(-c2csc(C)n2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514381753	QMMOQNARNRRQOL-UHFFFAOYSA-N	528.635	3.017	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1cc(OC)cc(OC)c1)c1c(O)nc(=O)n(CCCC)c1N	514405505	WYXKIMXUVHAQMG-UHFFFAOYSA-N	503.600	3.291	0	20	KGAD	
CC[C@H](CO)NC(=O)c1cc(I)cc(I)c1I	59237758	XGTKOSMKIMQKSL-SSDOTTSWSA-N	570.934	3.001	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)c1	514304443	UPOTUSLPUZPGNZ-UHFFFAOYSA-N	564.686	3.262	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccc2c1OC(C)(C)C2	514378789	JWHCMCQCKFKAHN-UHFFFAOYSA-N	504.605	3.226	0	20	KGAD	
CCCOc1ccc(NC(=O)NC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)cc1OCCC	514388987	WWECVJNKFNICED-OAHLLOKOSA-N	526.637	3.065	0	20	KGAD	
CCCn1c(CCC(=O)NCc2ccc(C)c(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514390275	DRRKBVWEWXEGNP-UHFFFAOYSA-N	502.612	3.164	0	20	KGAD	
O=C(CSCc1cc2c(cc1Br)OCO2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514401277	RJICKGCUGFOPHD-UHFFFAOYSA-N	529.434	3.071	0	20	KGAD	
NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cc1	514304695	WNBDVVDFXMUSCW-UHFFFAOYSA-N	574.025	3.495	0	20	KGAD	
COCCCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)nc2cc(C(=O)OC)ccc2c1=O	514375415	PSZZZQPEMZDPRT-UHFFFAOYSA-N	618.734	3.134	0	20	KGAD	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc(Cl)c1OCC(C)C	514384934	XFTCKGRTTJPNEE-KRWDZBQOSA-N	531.052	3.101	0	20	KGAD	
CCOc1ccc(NC(=O)CSc2nc3sccc3c(=O)n2C)cc1S(=O)(=O)N1CCCCC1	514385624	OLLKSNUCRODRKB-UHFFFAOYSA-N	522.674	3.299	0	20	KGAD	
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1nc2sc3c(c2c(=O)n1CCCN(C)C)CCCC3	514389172	BAAHDZOXODYZRA-MRXNPFEDSA-N	575.782	3.006	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)ccc2OC)cc1Br	514298224	XIGGSPOXMBXBRU-XMMPIXPASA-N	639.569	3.309	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ncnc4sc(C)c(C)c34)CC2)cc1	514377576	ALARUSWDGNUGPV-UHFFFAOYSA-N	504.659	3.136	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1	514385813	VRJKZQFENQKHRU-UHFFFAOYSA-N	554.635	3.451	0	20	KGAD	
CCN(CC)CCn1c(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)nc2ccccc21	514388196	QJRRRXSUGCIUOO-UHFFFAOYSA-N	554.673	3.099	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514293713	WSTVYDXRKHODMI-XUZZJYLKSA-N	620.794	3.426	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl	514297386	STBZQCZOXRATDI-UHFFFAOYSA-N	500.042	3.277	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO2)cc1	514382711	AYMIJEZDZPFFAT-UNMCSNQZSA-N	534.704	3.183	0	20	KGAD	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1	514390440	KCKVZXXNFXUUFC-QGZVFWFLSA-N	503.470	3.429	0	20	KGAD	
CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395247	GIFKICXLYQVTKQ-DEOSSOPVSA-N	514.673	3.437	0	20	KGAD	
CC1CCN(c2nnc(SCC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO2)CC1	514394132	QNOGSWRSGRZYEE-PMACEKPBSA-N	553.776	3.063	0	20	KGAD	
CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC)cc1)N(C)C	514291337	DFMUIYIPRIHPEZ-NTKDMRAZSA-N	588.756	3.429	0	20	KGAD	
CCOC(=O)c1sc(NC(=O)CSc2nnc([C@@H](CC)N(C)C)n2CCN2CCOCC2)c(C(=O)OCC)c1C	514293037	OZAMHGGHXAVWPP-GOSISDBHSA-N	596.776	3.077	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293202	SGVUMEZDJRJRJZ-HHHXNRCGSA-N	642.775	3.496	0	20	KGAD	
CCCCCN(C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)c1c(O)nc(=O)n(CCCC)c1N	514295040	HQAFUDPPKZVWFT-UHFFFAOYSA-N	561.705	3.158	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)COC	514374967	ISPVBUPLHSNNOH-FQEVSTJZSA-N	603.767	3.202	0	20	KGAD	
Cc1ccc(-c2csc(NC(=O)CSc3nnc(CCC(N)=O)n3C[C@@H]3CCCO3)n2)cc1C	514395589	ODXKYAICWWZNFS-KRWDZBQOSA-N	500.650	3.346	0	20	KGAD	
COC(=O)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC)c(OC)c1	514405519	XCPCPJJDWYRVID-HXUWFJFHSA-N	534.631	3.311	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1	514292732	PRQXKOYWTWZYNE-UHFFFAOYSA-N	633.667	3.325	0	20	KGAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(C(C)C)cc1	514295184	CGVMZANRBUAGGL-QHCPKHFHSA-N	519.689	3.321	0	20	KGAD	
COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1=O	514299870	JXUGPYRALKXJCN-FQEVSTJZSA-N	505.402	3.199	0	20	KGAD	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)CC2)c(C)c1	514376321	HUQDNXGQISJANM-UHFFFAOYSA-N	604.795	3.272	0	20	KGAD	
Cc1nc(Cc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N(C)C)o2)cs1	514386708	ZDBKTLNHNVPDEI-UHFFFAOYSA-N	536.705	3.397	0	20	KGAD	
CCCCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nc2c1c(O)nc(=O)n2Cc1ccccc1	514401260	QWGAMYHGYQLOSY-UHFFFAOYSA-N	500.603	3.105	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	514298290	ZGHDOKMIXSTNIC-UHFFFAOYSA-N	583.729	3.172	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)N(CC)CC)CC2)cc1	514378814	XXFHFSAVVSTSML-RUZDIDTESA-N	515.676	3.463	0	20	KGAD	
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccccc1C(F)(F)F	514380412	KFPOSNKEPDZJJS-MRXNPFEDSA-N	549.593	3.118	0	20	KGAD	
CCn1c(CCC(=O)NCc2ccc(C(F)(F)F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514389225	DCLYIWQLOMYWGT-UHFFFAOYSA-N	524.565	3.345	0	20	KGAD	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)n2Cc2ccco2)C1	514392757	ATWQMRPTYDBXGM-BBWFWOEESA-N	518.665	3.168	0	20	KGAD	
O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1	514290967	ARAUBTAUIKCAFI-RUZDIDTESA-N	503.640	3.123	0	20	KGAD	
COCCCn1c(S[C@H](C)C(=O)NCCc2ccc(F)cc2)nc2cc(C(=O)OC)ccc2c1=O	514291391	FQUXBHQTHPCSMD-MRXNPFEDSA-N	501.580	3.198	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)NCCc3ccc(F)cc3)n2C)c1	514376466	MRHQIIWMDNQTQV-KRWDZBQOSA-N	519.668	3.491	0	20	KGAD	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1	514383003	DPZBNJOHZUNMEJ-LJQANCHMSA-N	508.648	3.244	0	20	KGAD	
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C	514392155	UWCUPIHZBOFGIR-OAHLLOKOSA-N	520.658	3.353	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)N2CCCCC2)cc1	514404673	IDLGQCPNGNMLTA-HHHXNRCGSA-N	521.706	3.212	0	20	KGAD	
O=C(Cn1ccncc1=O)N[C@H]1CCc2nc(NC(=O)c3cc4c(Cl)cccc4s3)sc2C1	1818574560	JGYHYFAPLDIFRR-LBPRGKRZSA-N	500.005	3.494	0	20	KGAD	
O=C(CCCOc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514297757	ZYCFOEFNFFQUQE-UHFFFAOYSA-N	502.511	3.446	0	20	KGAD	
O=C(CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)Nc1cccc(N2CCCC2=O)c1	514298642	DKKYGOHESLLDSP-UHFFFAOYSA-N	511.431	3.065	0	20	KGAD	
O=C(CN1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1)Nc1ccc(OC(F)(F)F)cc1	514385100	ZYAQRUWXAUGCQV-GOSISDBHSA-N	532.357	3.344	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)CC2)cc1OC	514388904	VAEIWSMGKYHPED-HSZRJFAPSA-N	533.050	3.397	0	20	KGAD	
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1	514394590	OUOLVEJTTFJRFY-XGRCMKMKSA-N	532.615	3.460	0	20	KGAD	
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	514376563	CKKGIIBMDVXWEW-UHFFFAOYSA-N	525.696	3.245	0	20	KGAD	
O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514377083	KZJKQRMIMVBCAC-INIZCTEOSA-N	516.483	3.458	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cccc(C)c2C)c(C(=O)OC)c1C	514380399	JURFKBCQMHORPK-INIZCTEOSA-N	528.674	3.285	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1	514387509	IMOZGHBWNNHHRA-UHFFFAOYSA-N	520.677	3.110	0	20	KGAD	
O=C(NCc1ccc(CN2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514388624	RKFCDBKPYONLPW-UHFFFAOYSA-N	513.660	3.161	0	20	KGAD	
COC(=O)CCn1c(S[C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)nc2ccccc2c1=O	514395358	IWDDNJIUJBUEJC-LJQANCHMSA-N	508.644	3.221	0	20	KGAD	
Cn1c(CCC(=O)Nc2nnc(-c3ccco3)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514395720	REMILDSEDKLWIL-UHFFFAOYSA-N	500.606	3.431	0	20	KGAD	
CCCCn1c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc2cc(C(F)(F)F)ccc21	514401548	YUFQBWCTJZUYGT-QGZVFWFLSA-N	518.627	3.279	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1CCN1CCOCC1)N(C)C	514292493	LGLQKBAZVSQGGT-FQEVSTJZSA-N	530.695	3.395	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514293714	WSTVYDXRKHODMI-ZJSXRUAMSA-N	620.794	3.426	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c(O)nc1=O	514296841	QTEUQUYDFIPDDJ-UHFFFAOYSA-N	573.672	3.345	0	20	KGAD	
O=C(NCc1nnc2n1CCCCC2)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514300701	QRBHZLJHFRYGAN-UHFFFAOYSA-N	575.327	3.247	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514376445	ADKSAPLBXPJXFB-UHFFFAOYSA-N	509.650	3.153	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)CC2)cc1	514377197	MRLDSWCEYRBKKD-UHFFFAOYSA-N	501.605	3.497	0	20	KGAD	
CN(C[C@H]1COc2ccccc2O1)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514377485	XYXMBNYKBMJGNM-HNNXBMFYSA-N	515.451	3.210	0	20	KGAD	
COC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c2ccccc2O1	514378121	RYFOWOSYGKAUOL-HSZRJFAPSA-N	500.617	3.288	0	20	KGAD	
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2	514384550	VSOZINMNBGPZMI-KRWDZBQOSA-N	513.595	3.307	0	20	KGAD	
COc1cc(C)c(CN(C)CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1OC	514386738	AHNVLGPAPYOPIC-UHFFFAOYSA-N	522.568	3.246	0	20	KGAD	
Cc1nn(CC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)c(C)c1S(=O)(=O)N1CCOCC1	514386775	BSDZUIBZAOYXQM-UHFFFAOYSA-N	502.612	3.204	0	20	KGAD	
CCOc1ccc(-n2c(S[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514388871	ULBLOFCCZHOANC-YLJYHZDGSA-N	530.672	3.468	0	20	KGAD	
COc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)ccc1N1CCCC1=O	514393541	DUQYTJDWSISVAX-IBGZPJMESA-N	522.421	3.376	0	20	KGAD	
O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	514394883	VOFKEFYVYPOMND-LJQANCHMSA-N	542.521	3.060	0	20	KGAD	
COc1ccc(CN(C(=O)CN2CCCN(CC(=O)N(Cc3ccc(OC)cc3)C3CC3)CC2)C2CC2)cc1	514400844	CDMLTZGUJYGLMK-UHFFFAOYSA-N	534.701	3.394	0	20	KGAD	
CCOC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)sc(C)c1CC	514291714	FYHLILCIHAKLAN-UHFFFAOYSA-N	526.633	3.086	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(Cl)cc1)N(C)C	514291854	HPEGFWHQADTQNA-KRWDZBQOSA-N	565.121	3.295	0	20	KGAD	
O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514300253	MJQHDRRKJRIBIW-OALUTQOASA-N	508.666	3.330	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)[C@H]1CCS(=O)(=O)C1	514385600	NROILALGTDQJDA-KRWDZBQOSA-N	539.745	3.206	0	20	KGAD	
CO[C@@]1(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)O[C@H](CO[C@@]2(c3ccc(Cl)c(Cc4ccc(O[C@H]5CCOC5)cc4)c3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	2048529122	JAXZBIUMLVOLEA-WPFNPFIVSA-N	929.840	3.135	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1	514292606	MWKLNTBIIWUOHK-UHFFFAOYSA-N	511.666	3.399	0	20	KGAD	
CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)nnc12	514375912	ZWMVNQAGJGJHLI-UHFFFAOYSA-N	582.731	3.372	0	20	KGAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(C(C)(C)C)cc1	514377586	ANPBJWXGITYKOW-QHCPKHFHSA-N	533.716	3.495	0	20	KGAD	
COc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1S(=O)(=O)N1CCOCC1	514404490	FRAYEMSRWDVDGD-UHFFFAOYSA-N	543.063	3.095	0	20	KGAD	
CCCCn1c(CCC(=O)N(C)CCOc2ccccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514404731	KICLMYAQBJPKEH-UHFFFAOYSA-N	546.665	3.466	0	20	KGAD	
CO[C@@]1(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)O[C@H](CO[C@]2(c3ccc(Cl)c(Cc4ccc(O[C@H]5CCOC5)cc4)c3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	2048529123	JAXZBIUMLVOLEA-YRBCACLUSA-N	929.840	3.135	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2)c(C(=O)OC)c1C	514377905	ODJWVTOEKJPEOU-SFHVURJKSA-N	583.754	3.045	0	20	KGAD	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)c1c(O)nc(=O)n(CCCC)c1N	514379082	LGIWSPBREPKNJY-UHFFFAOYSA-N	547.722	3.490	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)Cc2ccc(OC)c(OC)c2)CC1	514383107	YVFDSRFWBLWQSE-UHFFFAOYSA-N	518.680	3.057	0	20	KGAD	
CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)N(C)Cc3ccc(OC)c(F)c3)C2=O)cc1OCCC	514384709	SXOKRWWJCCPUQU-UHFFFAOYSA-N	515.538	3.366	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccc(Br)cc3)cc2)C[C@@H](C)O1	514295157	HHGXSOPMTPYAPK-HZPDHXFCSA-N	524.437	3.006	0	20	KGAD	
COc1ccc(NC(=O)CSCc2cc(=O)n3ccc(C)cc3n2)cc1S(=O)(=O)N1CCCCC1	514298305	ZWEPPZQLDHZFJK-UHFFFAOYSA-N	516.645	3.058	0	20	KGAD	
CCOc1cccc2cc([C@@H](C)NC(=O)Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)oc12	514385524	KPWKQQOKVBDQKY-QGZVFWFLSA-N	502.589	3.281	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1	514290849	CIBWVSZWPWFGHD-BVAGGSTKSA-N	661.872	3.339	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1Cl	514295431	JIKGFWBYLZUQHC-JZXOWHBKSA-N	516.085	3.216	0	20	KGAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1	514302192	MBXQDHFJVBQMHM-UHFFFAOYSA-N	521.661	3.431	0	20	KGAD	
CCN1CCc2nc(NC(=O)CCc3nc4cc(S(=O)(=O)N(CC)CC)ccc4n3C)sc2C1	514291112	CDVXINLHTPNAEA-UHFFFAOYSA-N	504.682	3.010	0	20	KGAD	
COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1C(=O)OC	514299235	DJLIONBNPJZWDY-CYBMUJFWSA-N	594.693	3.267	0	20	KGAD	
CCOc1ccc(NC(=O)CNC(=O)c2cccc(Br)c2)cc1S(=O)(=O)N1CCCCC1	514299292	JZBAODJSQIDXLR-UHFFFAOYSA-N	524.437	3.391	0	20	KGAD	
Cc1cccc(NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1	514376347	IZYUANOXWBILMJ-UHFFFAOYSA-N	546.715	3.317	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCN(C(C)=O)CC3)c2)cc1Br	514387820	RPVCMCUCMJTDLU-UHFFFAOYSA-N	524.437	3.389	0	20	KGAD	
COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(S[C@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)C(C)C)nnc12	514403158	WDCLQIPJDOIIGU-CUNXSJBXSA-N	569.709	3.161	0	20	KGAD	
COc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N1CCCCC1	514291226	BNOCOQZHSPFIKA-UHFFFAOYSA-N	521.661	3.297	0	20	KGAD	
CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)CC1=O	514297468	WFXPQNLGTHOXJM-QGZVFWFLSA-N	571.574	3.039	0	20	KGAD	
CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(S(=O)(=O)N3CCCCCC3)ccc1Cl)C2=O	514375983	YROCVYKZRAVFDT-UHFFFAOYSA-N	511.044	3.344	0	20	KGAD	
O=S(=O)(CCN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(Br)cc1	514380101	FHLDUGHJCOXTSM-UHFFFAOYSA-N	580.364	3.077	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(O)nc1=O	514385649	PKVSYVVRAJCXMX-UHFFFAOYSA-N	522.429	3.024	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1	514401883	AOXASWRUFLUYIS-WMZHIEFXSA-N	582.679	3.297	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nc2ccsc2c1=O	514302288	OCZDAABTPVSQIS-GJZGRUSLSA-N	522.674	3.007	0	20	KGAD	
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)N1CCN(c2ncccn2)CC1	514302468	FLAMZVMORMXUBS-MOPGFXCFSA-N	518.647	3.225	0	20	KGAD	
CCOc1ccccc1-c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)o1	514386195	HCPYWZZAZWWDRV-UHFFFAOYSA-N	528.656	3.249	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c(O)nc1=O	514390064	WPDOFGSVZMNWEN-UHFFFAOYSA-N	508.000	3.232	0	20	KGAD	
Cc1cc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1	514391639	NYPCCCXIAIUKFS-MRXNPFEDSA-N	511.633	3.357	0	20	KGAD	
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514394732	RGZNSERIQZEJDO-AHRSYUTCSA-N	502.555	3.439	0	20	KGAD	
CCOC(=O)c1sc2[nH]c([C@H](C)Sc3nnc([C@H](CC)N(C)C)n3CCN3CCOCC3)nc(=O)c2c1C	514292897	NSDHPKOOXXCNGB-IRXDYDNUSA-N	563.750	3.259	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)c2c[nH]c3ccccc23)cc1	514303765	YXNMIUALCPWHEI-PGRDOPGGSA-N	553.710	3.323	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514375766	WRJNRQIRRFNTQN-HXUWFJFHSA-N	530.672	3.469	0	20	KGAD	
COc1ccc(OC)c(-c2csc(NC(=O)CSc3nnc(CCC(N)=O)n3CC(C)C)n2)c1	514384824	YRQXAPVEMQQYAE-UHFFFAOYSA-N	504.638	3.224	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC)cc2)c(C(=O)OC)c1C	514388862	UGFXDHITNLVODJ-HNNXBMFYSA-N	546.714	3.390	0	20	KGAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	514297036	RGIGAJQDMOPPKJ-UHFFFAOYSA-N	500.621	3.311	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)CC1	514300069	ROQBSEWDCLMNLC-UHFFFAOYSA-N	601.799	3.488	0	20	KGAD	
COc1ccc([C@@H](CC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC	514303610	XGPXFIRANFORKQ-SSEXGKCCSA-N	665.813	3.149	0	20	KGAD	
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1	514394608	PENKNEYUZORIOP-CALCHBBNSA-N	521.661	3.055	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)N[C@H](C)CCc2ccccc2)c(C(=O)OC)c1C	514296449	LVGPPJCNNDUMMD-CRAIPNDOSA-N	556.728	3.167	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514302153	CBMIVYIPVUZPKG-UHFFFAOYSA-N	646.836	3.279	0	20	KGAD	
CC[C@H](c1nnc(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1ccc(OC)cc1)N(C)C	514375190	MPXQIZZELXMVLL-GHTZIAJQSA-N	526.663	3.347	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)o2)c1	514375902	ZNUWUTPDIYGJHM-OAHLLOKOSA-N	509.654	3.406	0	20	KGAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	514378140	ACLAYTARQBNEAY-UHFFFAOYSA-N	659.783	3.491	0	20	KGAD	
Cn1c(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514379138	MTCOMWPPWIHMGX-UHFFFAOYSA-N	644.639	3.038	0	20	KGAD	
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1	514382577	QMZXTOFYJSTZOR-UHFFFAOYSA-N	542.580	3.011	0	20	KGAD	
Cn1c(CCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514384715	SZMCMBJPMBNUBM-VWLOTQADSA-N	517.051	3.448	0	20	KGAD	
O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1	514395250	GIIDBMMDLNMGOS-OAQYLSRUSA-N	520.449	3.023	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(=O)n4ccccc4n3)n2[C@H](C)COC)c1	514400856	CMJGLXQMRNJOPK-GOSISDBHSA-N	542.687	3.483	0	20	KGAD	
COc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)n2)cc1	514395738	RQWAOYSBYWHSTB-ZIAGYGMSSA-N	507.663	3.044	0	20	KGAD	
CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(I)cc3)c2)CC1	514400937	FSXQZFQBZPVGJH-UHFFFAOYSA-N	591.493	3.401	0	20	KGAD	
CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2scc(-c3cccs3)c2c1=O	514403694	YWSAZULDYNKRSR-HZPDHXFCSA-N	553.753	3.493	0	20	KGAD	
CCC(=O)Nc1ccc(C(=O)CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)cc1	514293854	UJAJYIGRVVBFGA-UHFFFAOYSA-N	516.645	3.401	0	20	KGAD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1	514297347	SBXKNPYZFGTDJW-NRFANRHFSA-N	566.474	3.112	0	20	KGAD	
CC(C)CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc2c1=O	514299905	JZZPFHKDUQQSON-RBUKOAKNSA-N	542.123	3.383	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)sc(C(=O)Nc2ccc(C)cc2C)c1C	514381978	CIZHWJXKJCBQBW-RUZDIDTESA-N	544.655	3.468	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(OC(F)F)c(OC)c3)CC2)cc1OC	514384774	WRTDPEVEYQGVSZ-UHFFFAOYSA-N	514.547	3.031	0	20	KGAD	
O=C(CSc1nnc(N2CCOCC2)n1C1CC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	514393247	UHLUNLSLURQCRA-UHFFFAOYSA-N	555.126	3.399	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514376147	CUBMAEXJWHQCSY-PGRDOPGGSA-N	565.714	3.134	0	20	KGAD	
COc1ccccc1-n1c(SCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)nnc1N1CCCCC1	514384459	SFTGZBLOQRFXTA-UHFFFAOYSA-N	530.676	3.261	0	20	KGAD	
C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CC1	514401282	RNDJZVWYFKFUJQ-OAQYLSRUSA-N	517.596	3.167	0	20	KGAD	
CCCCn1c(CCC(=O)NCc2ccnc(N3CCCC3)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514403307	YEAOYYSGFZMVNJ-UHFFFAOYSA-N	554.717	3.102	0	20	KGAD	
O=C(Cc1ccc(Cl)cc1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)nc3sccn13)CC2	1813945645	POTGRFGDOOBGNP-CQSZACIVSA-N	500.005	3.334	0	20	KGAD	
O=C(COc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514293783	WCXMEXRJYCBIHG-UHFFFAOYSA-N	524.437	3.088	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc2sc3ccccc3n12)c1c(O)nc(=O)n(CC(C)C)c1N	514293890	XDYWAHOOMDKWHB-UHFFFAOYSA-N	501.638	3.226	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(-c3nnc4n3CCCCC4)cc1)n2C	514380775	PZZUMSBQRSPBPV-UHFFFAOYSA-N	521.647	3.380	0	20	KGAD	
Cc1cccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1C	514404402	GABXKYIJGAPAFS-UHFFFAOYSA-N	501.527	3.316	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)n2-c1ccccc1OC	514404656	HRSRADFSQCMLRP-OALUTQOASA-N	594.781	3.191	0	20	KGAD	
Nc1c(C(=O)N2CC[C@@H](CNC(=O)c3cnc(Cl)s3)[C@@H]2c2cccnc2)sc2nccnc12	1811030909	QBFHWJKXNKVVOU-LRDDRELGSA-N	500.009	3.412	0	20	KGAD	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCC(C)(C)N3CCOCC3)ccc2OC)cc1Cl	514295291	BSHKJHMBQKQGHL-UHFFFAOYSA-N	542.054	3.007	0	20	KGAD	
COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CSc2nnc(-c3ccco3)n2CC(C)C)c1C(=O)OC	514384845	ZKCNKGDDBHKHHT-UHFFFAOYSA-N	550.615	3.275	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1	514388280	MYPNPPNGQNWQJD-MSOLQXFVSA-N	515.657	3.219	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1	514391103	ZZMAWWGQUGGSNO-UHFFFAOYSA-N	501.936	3.049	0	20	KGAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)n2CC)cc1	514391431	JBFGRRHGLUELGL-UHFFFAOYSA-N	561.734	3.041	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)NCC(C)(C)N3CCOCC3)n2-c2ccc(OC)cc2)cc1	514403940	UMPSWYHNMHMBHI-UHFFFAOYSA-N	511.648	3.271	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1	514377821	KVTQVDFETCYRMQ-UHFFFAOYSA-N	575.753	3.121	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(C)c1	514386041	BARHMCRKHZYXIR-UHFFFAOYSA-N	538.674	3.390	0	20	KGAD	
O=C(CNc1cc(C(F)(F)F)ccc1N1CCCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514394080	OKVLCJSPMOXZCI-UHFFFAOYSA-N	512.554	3.377	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccccc1OC(F)F	514394712	ZPIZOMDTKQEFIR-UHFFFAOYSA-N	559.657	3.228	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)N(C)Cc2ccc(Cl)cc2)c(C(=O)OC)c1C	514302228	NDECZSFLTIFRTL-INIZCTEOSA-N	563.119	3.342	0	20	KGAD	
Cc1ccc(C2=NN(C(=O)CNc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)[C@@H](c3ccco3)C2)cc1	514380084	JDNNLCQKIYXMAM-MUUNZHRXSA-N	593.706	3.235	0	20	KGAD	
COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cc(I)c(=O)c(I)c2)c1	514389786	MMNRBFUSICZTGN-MRXNPFEDSA-N	594.187	3.438	0	20	KGAD	
CCN(CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)c1ccccc1Cl	514394875	VKKAMKYSUWWAPQ-DEOSSOPVSA-N	521.083	3.006	0	20	KGAD	
O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514401668	BKDPLLSYSFLIDW-UHFFFAOYSA-N	536.050	3.304	0	20	KGAD	
O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514401756	DAZGQTONEXQHJF-UHFFFAOYSA-N	572.587	3.305	0	20	KGAD	
O=C(NC[C@H]1CCN(C(=O)c2sccc2Cl)[C@@H]1c1cccnc1)c1cc(=O)nc2sccn12	1811260130	YGQQMUWVYLMSPF-RDTXWAMCSA-N	500.005	3.499	0	20	KGAD	
COCCN(C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2)c1c(O)nc(=O)n(CC(C)C)c1N	514376558	NWQHDFKSBZQEPO-UHFFFAOYSA-N	526.663	3.023	0	20	KGAD	
C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)N[C@H]1CCS(=O)(=O)C1	514387987	LCGXBOIAODJHBF-KBPBESRZSA-N	521.661	3.249	0	20	KGAD	
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(Cc4cccs4)n3C3CC3)CC2)c1	514390670	AGBVJVOSMSWTKC-UHFFFAOYSA-N	545.712	3.093	0	20	KGAD	
CCOC(=O)c1c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)sc(C(=O)NC)c1C	514390799	VWIPDMAJIRBLTG-UHFFFAOYSA-N	523.633	3.075	0	20	KGAD	
CCOCCCn1c(SCC(=O)N(CCC(N)=O)Cc2ccccc2)nc2cc(Cl)ccc2c1=O	514392598	ZIJSXCRDKAEMMS-UHFFFAOYSA-N	517.051	3.473	0	20	KGAD	
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)C1	514395166	DQUFGJKQASSFIG-FUHWJXTLSA-N	524.665	3.049	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	514302184	LYPGMQNPLCLUEH-LJQANCHMSA-N	564.549	3.175	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	514385239	DUNFXDBVXXOMEZ-UHFFFAOYSA-N	556.710	3.331	0	20	KGAD	
CCOC(=O)CCN(C(=O)c1ccc(N(C)C(=O)CNc2ccc(C(=N)N)cc2)c(NC(=O)CNc2ccc(C(=N)N)cc2)c1)c1ccccn1	2048531932	ONSZHQSJKQIXPK-UHFFFAOYSA-N	692.781	3.375	0	20	KGAD	
Cc1nn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c(C)c1S(=O)(=O)N1CCOCC1	514385661	PSTRBJABKQBJHF-NRFANRHFSA-N	532.022	3.145	0	20	KGAD	
CCOc1ccc(CCn2c(SCC(=O)N(C)CC(=O)N3CCOCC3)nnc2-c2ccc(OC)cc2)cc1OCC	514390962	DLESWSCGMSQUNG-UHFFFAOYSA-N	597.738	3.403	0	20	KGAD	
CCOC(=O)Cc1csc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1	514394204	JBOIDUDWDLUWDA-NSHDSACASA-N	522.468	3.112	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1	514395084	BVWKLVMMFNYHSY-OALUTQOASA-N	509.694	3.118	0	20	KGAD	
O=C(COc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514296840	QOOBCOGQYPBCNN-UHFFFAOYSA-N	553.353	3.429	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1	514375583	SDVSPOSLUMEVRZ-UHFFFAOYSA-N	613.810	3.461	0	20	KGAD	
O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1	514378067	QIMUTLUWVACTLJ-UHFFFAOYSA-N	556.729	3.496	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514378828	IPKYWZKKPCFRDE-UHFFFAOYSA-N	580.050	3.293	0	20	KGAD	
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514379415	UHOYWROWZWHRQH-UHFFFAOYSA-N	505.662	3.217	0	20	KGAD	
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C	514379833	VJFPMWGKHHJGFV-UHFFFAOYSA-N	539.580	3.250	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)c1	514392756	ASZQSGBIPXWNPL-QFIPXVFZSA-N	537.082	3.413	0	20	KGAD	
O=C(CCc1nnc(-c2ccccc2)o1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514401197	PBSAUNLBKSNYTJ-UHFFFAOYSA-N	525.631	3.319	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(CC)Cc1nc(O)c3ccccc3n1)n2CC(C)C	514296144	PUNFZDIKEMLKQG-UHFFFAOYSA-N	521.622	3.385	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1	514303382	LMGIIHITDUPLNA-XMMPIXPASA-N	522.067	3.133	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1	514377236	OLQSSZPXRKMDQW-UHFFFAOYSA-N	509.650	3.153	0	20	KGAD	
COc1ccc([C@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N2CCOCC2)cc1	514380072	DQLQFQJSASHETP-MHZLTWQESA-N	529.703	3.382	0	20	KGAD	
CCCn1c(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)nc2cc(S(=O)(=O)N(C)C)ccc21	514405525	XGLSNBIFHGMTOS-UHFFFAOYSA-N	537.689	3.380	0	20	KGAD	
O=C(CCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	514405611	YNCNJGKFKSRZTB-UHFFFAOYSA-N	581.569	3.175	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccccc2I)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291239	CAUHBDFYBWFSLQ-UHFFFAOYSA-N	568.437	3.253	0	20	KGAD	
CCn1c(CCC(=O)Nc2cccc(I)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377045	XJESNLBNHHEKBE-UHFFFAOYSA-N	568.437	3.253	0	20	KGAD	
O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N1CCC(c2nnc3ccccn23)CC1	514385536	KYTGBZOALCEGMZ-UHFFFAOYSA-N	501.918	3.086	0	20	KGAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)[C@H]2CCS(=O)(=O)C2)cc1	514402452	JGSQNQLGIZGQTK-KRWDZBQOSA-N	510.634	3.281	0	20	KGAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c12	514299696	OENXHRRBWXLBNS-LJQANCHMSA-N	520.615	3.027	0	20	KGAD	
C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	514387949	KESHXWPRZQJYQL-VXGBXAGGSA-N	513.617	3.313	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)c(O)nc1=O	514391743	NOLXXBAWYWTJPD-UHFFFAOYSA-N	589.722	3.432	0	20	KGAD	
O=C(CSc1nnc(N2CCOCC2)n1Cc1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	514404171	AQSOWMPNTHNRND-UHFFFAOYSA-N	552.579	3.342	0	20	KGAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1	514404489	FQZVLNKKHYNYKA-NVQXNPDNSA-N	561.682	3.291	0	20	KGAD	
COc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC(C)C)ccc1OCC(=O)N1CCCC1	514297683	QUGDGUVMMRWVAW-UHFFFAOYSA-N	556.685	3.390	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1	514385892	YJBHIHHOLNVFFS-UHFFFAOYSA-N	508.641	3.088	0	20	KGAD	
COc1cc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc(OC)c1	514388047	UBSUIXOIOLGGHO-UHFFFAOYSA-N	517.648	3.286	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)c1	514391493	LPBVWEVWMYJSEZ-UHFFFAOYSA-N	577.729	3.055	0	20	KGAD	
CCN(Cc1ccccc1)C(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC	514292937	NXUHPOGSCZYOFE-UHFFFAOYSA-N	502.662	3.218	0	20	KGAD	
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	514296541	RVCKMOWILRHXTD-WBYKHBECSA-N	503.555	3.482	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1	514300272	NCNHRBJLPATIPS-UHFFFAOYSA-N	581.621	3.204	0	20	KGAD	
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	514378977	LBDZOKCPGCPWMN-ROUUACIJSA-N	505.662	3.354	0	20	KGAD	
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514379277	SDZBCVYBLUYDLZ-UHFFFAOYSA-N	533.695	3.443	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c1	514386002	ZEGHGHMVIMATFC-UHFFFAOYSA-N	518.661	3.403	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1S(=O)(=O)N(C)C	514386055	ZYJDWDLEWXWITO-YLJYHZDGSA-N	553.703	3.454	0	20	KGAD	
CCn1c(CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514386649	WTQBCEZQPGOXBT-UHFFFAOYSA-N	541.703	3.325	0	20	KGAD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514388366	XOSUTFXUPBTEQZ-UHFFFAOYSA-N	552.453	3.019	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1	514389027	XPZUTPSJPINWGY-HNAYVOBHSA-N	506.053	3.499	0	20	KGAD	
COc1ccc(CN2CCN(CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CC2)c(OC)c1OC	514391407	JEMKCWFVAOPAIR-UHFFFAOYSA-N	581.135	3.297	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514393460	BPTKJLADIBNIDH-UHFFFAOYSA-N	578.699	3.417	0	20	KGAD	
COCCCn1c(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nc2cc(C(=O)OC)ccc2c1=O	514405200	RSIKAWNVIWITCK-UHFFFAOYSA-N	552.653	3.189	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514294382	YKEGNEGPRZEJFM-UHFFFAOYSA-N	518.665	3.120	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc4c(c3)OCCCO4)nnc12	514375535	RRVHBOIYAOURML-UHFFFAOYSA-N	509.588	3.363	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	514376773	RCMMHGBGTGHPBV-LJQANCHMSA-N	532.109	3.163	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)c2)cc1Br	514385460	IGOZIVUBWXFVHC-KRWDZBQOSA-N	545.477	3.298	0	20	KGAD	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)CC2	514387565	OYVSYHGNLQZGDP-CUNXSJBXSA-N	500.661	3.323	0	20	KGAD	
COc1cc(Br)c(CS(=O)(=O)[C@@H](C)C(=O)NCCOc2cccc(C)c2)cc1OC	514402589	PNCLYNIFPLQGJO-HNNXBMFYSA-N	500.411	3.273	0	20	KGAD	
CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3c4c(sc32)CN(C(C)=O)CC4)cc1	8604586	YKJDMJLUMXISKF-UHFFFAOYSA-N	532.622	3.215	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514297778	URALSSJGRUSRAX-QFIPXVFZSA-N	525.718	3.208	0	20	KGAD	
O=C(COc1cccc2cccnc12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514380328	MDFASQCGAUBHSU-UHFFFAOYSA-N	510.616	3.264	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1	514381810	UAYJJKQMODOGMP-QFIPXVFZSA-N	507.678	3.199	0	20	KGAD	
Cc1cc(C)n2nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC(C)C)nc2n1	514385587	NJFONOCKKRXRIL-UHFFFAOYSA-N	518.665	3.434	0	20	KGAD	
CCCCN(C(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1	514386899	HYMQVDHQQHDUKV-CUNXSJBXSA-N	500.661	3.467	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cn3ccc(Cl)cc3n1)CC2	1815631286	ZXEOUAZEPBRFRG-ZDUSSCGKSA-N	500.009	3.252	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)CC2)c(C(=O)OC)c1C	514292144	LMXKZYAPUMRRHR-JOCHJYFZSA-N	649.788	3.294	0	20	KGAD	
Cn1c(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514296955	UEDRJSUXYZHALE-UHFFFAOYSA-N	539.079	3.376	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1	514300163	KSBKKDHJJZFULV-KRWDZBQOSA-N	501.630	3.346	0	20	KGAD	
CSC[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514381056	VQSBWFWKXVSNJM-HBMCJLEFSA-N	559.666	3.104	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)ccc1Cl	514381977	YFSWNDNACOUJLK-UHFFFAOYSA-N	574.121	3.427	0	20	KGAD	
C[C@@H]1CN(Cc2csc(NC(=O)C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)n2)C[C@@H](C)O1	514393490	CLXYQMDOHLAYGM-ZIAGYGMSSA-N	524.573	3.064	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)CSCC(=O)Nc2ccc(OC)cc2)CC1	514382477	MNZSZBVSRFESBH-UHFFFAOYSA-N	577.773	3.178	0	20	KGAD	
CCCCn1c(CN2CCN(C(=O)c3cccs3)CC2)nc2c1c(O)nc(=O)n2Cc1ccccc1	514387781	QTDLSQOMBRKZMC-UHFFFAOYSA-N	506.632	3.167	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)CCc2nnc(-c3ccccc3)o2)CC1	514387816	RNJGNWQXNHBOSZ-UHFFFAOYSA-N	540.690	3.480	0	20	KGAD	
CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	514401285	RPNFGKSWDIOWQD-OAQYLSRUSA-N	530.449	3.010	0	20	KGAD	
CCc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)CC2)cc1	514296599	NSAXLZMAGHXUEM-UHFFFAOYSA-N	536.672	3.251	0	20	KGAD	
CCCCn1c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nnc1[C@@H](CC)N(C)C	514301093	VLPFBZURHOOVFR-PKOBYXMFSA-N	513.755	3.460	0	20	KGAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1	514301164	XOFIPNFDOBROPU-UHFFFAOYSA-N	535.688	3.272	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514301606	AOEIPFSICRHKCA-LJQANCHMSA-N	582.553	3.053	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)N(C)C)CC3)c2)cc1Br	514380342	IBODVHPHUZXLJT-UHFFFAOYSA-N	524.437	3.199	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1F	514382850	ASEDEMXYCYKBKL-UHFFFAOYSA-N	503.640	3.286	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCc1nnc2n(C)c(=O)c3ccccc3n12	514390431	JQGMKFHJQXFABN-UHFFFAOYSA-N	511.652	3.070	0	20	KGAD	
O=C(CSc1nnc(N2CCOCC2)n1C1CC1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	514394091	OVKVKBNIPSAOOV-UHFFFAOYSA-N	516.027	3.436	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)[C@H]1CCS(=O)(=O)C1	514395222	FWZHRMIEZNEJIQ-BBRMVZONSA-N	510.041	3.081	0	20	KGAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1	514404488	FQZVLNKKHYNYKA-GJZUVCINSA-N	561.682	3.291	0	20	KGAD	
CCCNC(=O)CSc1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1	514404622	KCTHKPQMPYGTPZ-HNNXBMFYSA-N	543.762	3.450	0	20	KGAD	
O=C(CSc1ncccn1)N[C@H]1CCc2nc(NC(=O)c3cnc4cc(Cl)ccn34)sc2C1	1816072654	ACFDEJRGWOEDKE-ZDUSSCGKSA-N	500.009	3.252	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514301188	WAMVKGZSLRFYJC-NHCUHLMSSA-N	587.789	3.476	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c1	514376129	CMVCFTGWQZCDLR-RPLLCQBOSA-N	576.716	3.222	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376930	ULKUWWVVICZMKR-UHFFFAOYSA-N	603.767	3.131	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	514379820	ZLQLQTFHCNGSAX-UHFFFAOYSA-N	564.488	3.066	0	20	KGAD	
Cn1c(CCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514380525	OTUYXZXQWALVFM-UHFFFAOYSA-N	536.658	3.242	0	20	KGAD	
O=C(CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	514382971	DFRVJDYDJCKSGV-UHFFFAOYSA-N	534.535	3.240	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)CC2)cc1C	514385719	SFEOECONGUOBFG-FQEVSTJZSA-N	561.755	3.428	0	20	KGAD	
CCn1c(CCC(=O)N(C)[C@H](C)c2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401847	GRJZPDXZECJFBV-GOSISDBHSA-N	502.612	3.368	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(Br)c1	514402209	LRNQKTLQPJFQMN-UHFFFAOYSA-N	509.422	3.343	0	20	KGAD	
C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N1CCN(c2ncccn2)CC1	514402839	FWFGQFDQUTZMFI-INIZCTEOSA-N	500.028	3.465	0	20	KGAD	
O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514292339	KMJOXSCBMHQQFO-UHFFFAOYSA-N	575.532	3.021	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)c(C(=O)OC)c1C	514292744	LYSOZMWCRLHAJI-UHFFFAOYSA-N	559.460	3.432	0	20	KGAD	
CCOc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1	514302977	HSQGLYUNJDZKAF-QHCPKHFHSA-N	540.711	3.361	0	20	KGAD	
CCCOc1ccc(NC(=O)NC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)cc1OCCC	514388986	WWECVJNKFNICED-HNNXBMFYSA-N	526.637	3.065	0	20	KGAD	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)CCc3c(C)nc(N4CCOCC4)nc3O)n2)cc1	514393214	RRTNMQIPUSGKKY-UHFFFAOYSA-N	524.647	3.091	0	20	KGAD	
O=C(CN1CCOCC1)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1	514393544	DWHZDFLOPPLWOI-UHFFFAOYSA-N	518.536	3.467	0	20	KGAD	
CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1	514393699	JKJZUUNPHSCTRF-UHFFFAOYSA-N	502.666	3.228	0	20	KGAD	
COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCCO5)CC3)cc2)c1C	514400818	BJLJSBSQHBWWKK-UHFFFAOYSA-N	518.614	3.324	0	20	KGAD	
COc1cc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)ccc1N1CCCC1=O	514404536	GZQMNGYKBJNBNE-UHFFFAOYSA-N	539.658	3.455	0	20	KGAD	
CCOCCCCC(=O)Nc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1	2048531837	IHBGKHJKVYJLHK-UHFFFAOYSA-N	505.575	3.328	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1	514292683	ONWRJLCWVXGGSE-OAQYLSRUSA-N	504.605	3.035	0	20	KGAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)n2C)cc1	514300232	MGGCYDRXRWYZHJ-UHFFFAOYSA-N	544.703	3.080	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514374881	HBKGTPUFWKBWCA-UHFFFAOYSA-N	525.052	3.470	0	20	KGAD	
CSCC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	514387012	CIRVUKQUQHIWCO-OKZBNKHCSA-N	522.674	3.179	0	20	KGAD	
CCOc1ccc(OC[C@H](O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2CCCOC)cc1	514405209	RWSSEVNBTHPPDH-SFHVURJKSA-N	502.589	3.150	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514296655	SZFCBFXGXZPQLT-RTBURBONSA-N	533.695	3.301	0	20	KGAD	
CCN1CCN(c2ccccc2NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1	514300073	RVOJMMDFZUDEFH-UHFFFAOYSA-N	512.680	3.020	0	20	KGAD	
Cc1occc1-c1nnc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1	514300648	QKGMAIVLWOYLLV-VQTJNVASSA-N	516.645	3.123	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)n1CCN1CCOCC1)N(C)C	514300718	RJTPNXZOTHGVOJ-JOCHJYFZSA-N	526.711	3.156	0	20	KGAD	
CC(C)Cn1c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3	514389112	ZHZKSGFKPXMRBR-ARFHVFGLSA-N	511.735	3.365	0	20	KGAD	
CCN(CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)c1ccccc1Cl	514394876	VKKAMKYSUWWAPQ-XMMPIXPASA-N	521.083	3.006	0	20	KGAD	
O=C1CCc2cc(=C(O)/C(=C(/S)Nc3ccccc3C(F)(F)F)[n+]3cccc(CO)c3)ccc2=N1	912791428	ODIXLMFMIOBENU-UHFFFAOYSA-O	500.522	3.112	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514291076	BNAGDHUVZKTITR-QFIPXVFZSA-N	551.061	3.447	0	20	KGAD	
CCCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccc(Cl)cc1	514301192	WBYPMQLUJWITBX-MOPGFXCFSA-N	513.085	3.295	0	20	KGAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1	514301295	YGSAASNBNGNWHL-MRXNPFEDSA-N	503.675	3.324	0	20	KGAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)NC(=O)Nc1ccc2c(c1)OCCO2	514375892	ZAMCGPOVYMVLDC-OAHLLOKOSA-N	501.590	3.397	0	20	KGAD	
COc1ccccc1NC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c1=O	514394127	QHFFSWUNDMZNKN-JOCHJYFZSA-N	550.677	3.339	0	20	KGAD	
COc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc(OC)c1OC	514394995	ZULVMJHKUCLHHW-CQSZACIVSA-N	533.466	3.254	0	20	KGAD	
Cc1cccc(O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)c1	514403208	XDCGYNALISHGIS-PZJWPPBQSA-N	503.621	3.013	0	20	KGAD	
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1C	514291671	IMAVAKXUJNLUSU-FCHUYYIVSA-N	519.598	3.338	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1S(=O)(=O)N(CC)CC	514299685	NOBIKFGESDRRJL-UHFFFAOYSA-N	583.729	3.172	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)C[C@@H](C)O1	514379123	MLOFNSMHXJPNPS-ZAHDESAZSA-N	533.647	3.153	0	20	KGAD	
Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)NCCCOCC(C)C)c2)c(=O)n(-c2ccccc2)n1C	514386797	CJTYFJFDMHPUJR-UHFFFAOYSA-N	514.648	3.102	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN([C@H](C(=O)NCc4ccccc4)c4ccccc4)CC3)CC2)cc1OC	514390663	SFMIVLIEVDQWPB-HKBQPEDESA-N	620.772	3.306	0	20	KGAD	
CCCCn1c(S[C@H](C)C(=O)N2CCN(C(C)=O)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514395792	UGGVKLVOAPSHLQ-GOSISDBHSA-N	523.725	3.038	0	20	KGAD	
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514376459	MMNCCILBESKCNB-GOSISDBHSA-N	527.672	3.344	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)n2CC	514378744	ISFZJEWZEDPNOE-UHFFFAOYSA-N	561.730	3.443	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1	514387120	CEGAVOWAZGISGS-UHFFFAOYSA-N	516.542	3.198	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1	514395824	UXCFGPJZHQPIPQ-NRFANRHFSA-N	506.650	3.408	0	20	KGAD	
Nc1c(C(=O)NC[C@H]2CCN(C(=O)c3cnc(Cl)s3)[C@@H]2c2cccnc2)sc2nccnc12	1807314538	RCYPABNAVGZFJB-MLGOLLRUSA-N	500.009	3.412	0	20	KGAD	
C[C@H]1Sc2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)cc2NC1=O	514295190	CJTQVJCCKXNMDF-QGZVFWFLSA-N	530.672	3.383	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299889	JUBLJASWWAHQMO-PMACEKPBSA-N	548.086	3.326	0	20	KGAD	
C[C@@H]1CCc2c(sc3nc(SCC(=O)N(C[C@@H]4CCCO4)[C@@H]4CCS(=O)(=O)C4)n(C[C@@H]4CCCO4)c(=O)c23)C1	514300270	MSDOJRTYBLZUSW-ZRNYENFQSA-N	595.809	3.049	0	20	KGAD	
COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1S(=O)(=O)N1CCOCC1	514377774	IPXVIARNZHXGSU-SFHVURJKSA-N	501.630	3.346	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1	514382078	FQNUWKQPFWUOBU-UHFFFAOYSA-N	500.665	3.039	0	20	KGAD	
COc1ccc(CCN2C[C@@H](C(=O)Nc3cc(Br)ccc3N3CCOCC3)CC2=O)cc1OC	514383363	HATWCWOFUCNBRP-SFHVURJKSA-N	532.435	3.333	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1S(=O)(=O)N(C)C	514385583	NETVIKCXDXKTKL-QZTJIDSGSA-N	523.677	3.255	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)[C@@H]1CCS(=O)(=O)C1	514385613	OAVZKPLILWYDIZ-HXUWFJFHSA-N	575.778	3.334	0	20	KGAD	
O=C(CN1CCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)CC1)N1CCOCC1	514393005	KDFUHXCKVDUEMY-UHFFFAOYSA-N	554.116	3.473	0	20	KGAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)n2CC)cc1	514401914	BOKOVBAVLJIGNU-UHFFFAOYSA-N	572.757	3.241	0	20	KGAD	
Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	514401935	CGTBKQBBMPQEOD-XMMPIXPASA-N	502.633	3.148	0	20	KGAD	
C[C@H](C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)N1C(=O)c2ccc(Br)cc2C1=O	514402857	RZYXVPOHMFTDQY-HUUCEWRRSA-N	500.397	3.158	0	20	KGAD	
CC(C)c1ccccc1-n1c(=O)c2ccccc2n2c(SCC(=O)NCCCN3CCCC3=O)nnc12	514290844	AODLNFONBDPPKD-UHFFFAOYSA-N	518.643	3.378	0	20	KGAD	
CCCCn1c(SCC(=O)NCCCN2CCCC2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514291876	HWDZSQHULGODDQ-UHFFFAOYSA-N	535.736	3.232	0	20	KGAD	
Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)c1	514374944	INYHSEWJPJCENF-GOSISDBHSA-N	532.644	3.406	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H](O)COCc3ccccc3OC)o2)c1	514376276	FUUBSLJTGYKROV-LJQANCHMSA-N	507.634	3.446	0	20	KGAD	
CC(=O)Nc1ccc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)c2=O)cc1	514381730	PSOUHUPCTSTKMX-UHFFFAOYSA-N	638.812	3.214	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)c(O)nc1=O	514395391	JGOQDIKUPRRBLS-LJQANCHMSA-N	578.699	3.443	0	20	KGAD	
COc1ccc2c(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3NC[C@H]3CCCO3)coc2c1	514402051	KSJNHYGAUROPRC-HXUWFJFHSA-N	529.615	3.234	0	20	KGAD	
COCCCn1c(SCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nnc1-c1ccc(OC)c(OC)c1	514403000	VKKVUPYHIKSXTP-UHFFFAOYSA-N	586.690	3.013	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)Nc2ccccc2OC(F)F)c1	514296232	IQOMBXGPSTUIQD-UHFFFAOYSA-N	512.579	3.206	0	20	KGAD	
CC(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377957	QFBKTJPLCRKEGF-UHFFFAOYSA-N	553.685	3.447	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC1)n2C	514379178	OMXYDDJSQDMSDU-UHFFFAOYSA-N	615.700	3.088	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)CC1	514389789	MNPQCUWSUSNAAX-CQSZACIVSA-N	520.833	3.398	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C1	514390867	WTONCPCOHOZDQY-AWEZNQCLSA-N	503.408	3.096	0	20	KGAD	
COc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)n2)cc1	514395736	RQWAOYSBYWHSTB-KGLIPLIRSA-N	507.663	3.044	0	20	KGAD	
O=C(Nc1cc(Br)ccc1Br)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514402963	UPYLUZKYACAXJY-UHFFFAOYSA-N	589.306	3.321	0	20	KGAD	
Cc1cn2c(=O)c(C(=O)N3CCCC34CN(C(=O)c3cc5c(Cl)cncc5s3)C4)cnc2s1	1843784765	AAORJXDZUSCGNI-UHFFFAOYSA-N	500.005	3.458	0	20	KGAD	
CC(C)COC[C@@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514295041	FYPFIWYDNRNFOL-HSZRJFAPSA-N	564.705	3.279	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)N4CCCCCC4)c3)CC2)cc1F	514384105	LNCCZYAQIAEBMX-UHFFFAOYSA-N	519.639	3.366	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1	514394086	ONFZSPFNLSKKLP-NRFANRHFSA-N	577.545	3.250	0	20	KGAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CC2)c1cnc(Cl)s1	1820790744	WMGCLDMZVAUWIT-HFGRPIQASA-N	500.005	3.389	0	20	KGAD	
COc1ccc(-n2c(SCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2OC)cc1	514384398	PFFUEWIINJKSIJ-IFMALSPDSA-N	572.709	3.238	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)c2)cc1Br	514385463	IGOZIVUBWXFVHC-QGZVFWFLSA-N	545.477	3.298	0	20	KGAD	
NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)COc3ccc4oc5c(c4c3)CCCC5)CC2)cc1	514385610	NZDNCHNIGPMZMI-UHFFFAOYSA-N	511.600	3.215	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514295322	DEBAILBDLMRANU-UHFFFAOYSA-N	530.647	3.446	0	20	KGAD	
CCCn1c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2cc(S(N)(=O)=O)ccc21	514381544	ITAKMFFBSILREQ-IBGZPJMESA-N	516.645	3.321	0	20	KGAD	
CCc1c(C)sc2nc(SCC(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)n(C[C@@H]3CCCO3)c(=O)c12	514385102	ZZFOTDBBMYTFBO-INIZCTEOSA-N	536.701	3.194	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc3c(c2)NC(=O)CS3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401517	XZMZFJJJMPTSIJ-UHFFFAOYSA-N	543.671	3.083	0	20	KGAD	
CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1	514402652	QOTNQUDUEOYGJJ-QZTJIDSGSA-N	523.677	3.302	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)NC(=O)NC3CC3)n2CC(C)C)c1	514404058	XEORGMDEACRZFZ-INIZCTEOSA-N	522.697	3.100	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c1	514405353	SYIURBPKKOLBAQ-UHFFFAOYSA-N	509.028	3.418	0	20	KGAD	
Nc1c(C(=O)N2CC[C@H](CNC(=O)c3cnc(Cl)s3)[C@@H]2c2cccnc2)sc2nccnc12	1811030913	QBFHWJKXNKVVOU-WBMJQRKESA-N	500.009	3.412	0	20	KGAD	
O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514375632	UBUAFICKTLPQIL-QHCPKHFHSA-N	531.748	3.363	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514376146	CUBMAEXJWHQCSY-GCJKJVERSA-N	565.714	3.134	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	514377332	RIXZMHZDCKJELH-UHFFFAOYSA-N	537.704	3.472	0	20	KGAD	
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377593	AUOOAONPKFKDJI-UHFFFAOYSA-N	539.658	3.057	0	20	KGAD	
COCCCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)nc2ccccc2c1=O	514293508	SFFBCSAILNZSNB-UHFFFAOYSA-N	560.698	3.347	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cc1	514294835	CEVRVGIRNPZFRH-UQBPGWFLSA-N	549.715	3.340	0	20	KGAD	
COc1ccc([C@H](CC(=O)NC2CCCCC2)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC	514296929	QGOLPAAXIWOGPH-QHCPKHFHSA-N	517.648	3.199	0	20	KGAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)NCC(=O)Nc1ccccc1Br	514303103	ULSWMBMWJWRFIU-INIZCTEOSA-N	537.484	3.057	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)c1c(O)nc(=O)n(CC(C)C)c1N	514374436	BRDLTMNQVHKSBG-UHFFFAOYSA-N	520.059	3.417	0	20	KGAD	
CCc1c(C)sc2nc(SCC(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)n(C[C@H]3CCCO3)c(=O)c12	514385104	ZZFOTDBBMYTFBO-MRXNPFEDSA-N	536.701	3.194	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)C2CCCC2)c(O)nc1=O	514386692	YOHULAYAOVOYAT-UHFFFAOYSA-N	527.651	3.203	0	20	KGAD	
CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(N4CCCCC4)n3C[C@H]3CCCO3)ccc21	514394365	VFONTJZZWGEHIN-HXUWFJFHSA-N	519.693	3.135	0	20	KGAD	
CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)CC1	514403227	KKXSYWCQVGDVJH-UHFFFAOYSA-N	537.318	3.213	0	20	KGAD	
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514293645	UIAFDJUNNGAOAS-OAQYLSRUSA-N	525.593	3.123	0	20	KGAD	
Cc1cccc(O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1	514297649	YRZZOFFNPHSVNB-INIZCTEOSA-N	502.511	3.363	0	20	KGAD	
CCCCN(C(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514386898	HYMQVDHQQHDUKV-AMGIVPHBSA-N	500.661	3.467	0	20	KGAD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)cc2)C1	514403639	WLZCVSFJBLWWQF-QGZVFWFLSA-N	541.642	3.425	0	20	KGAD	
CCOC(=O)c1sc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)cc1C	514291139	CKGGDMMHGPSMQE-UHFFFAOYSA-N	534.660	3.195	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	514291624	GVSCUQUFWWYYQV-RSXGOPAZSA-N	527.712	3.257	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2nc(CC(=O)OC)cs2)n1-c1ccc(OC)cc1)N(C)C	514292942	NZBXZLDZTSDROL-KRWDZBQOSA-N	504.638	3.191	0	20	KGAD	
CCCCCn1c(CCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc2c1c(O)nc(=O)n2CCCC	514293148	QGYVUGHXVCNOLZ-UHFFFAOYSA-N	536.555	3.394	0	20	KGAD	
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc(Cl)s1	514297597	PSNMDGJYPOWAFZ-UHFFFAOYSA-N	520.960	3.164	0	20	KGAD	
CC(C)CN(C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514300426	ONBMNSUQCSWMFM-UHFFFAOYSA-N	548.482	3.491	0	20	KGAD	
C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1	514375450	QMEXLEQKGOZTMZ-NRFANRHFSA-N	522.675	3.371	0	20	KGAD	
COCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)nc2cc(C(=O)OC)ccc2c1=O	514375879	YGXODXINRAQRRH-UHFFFAOYSA-N	602.735	3.433	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1	514381944	XUHXHNZSKSFELI-UHFFFAOYSA-N	549.715	3.254	0	20	KGAD	
CCOc1ccccc1N1CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1	514391732	NKQSCLXEMHTFOF-UHFFFAOYSA-N	503.529	3.107	0	20	KGAD	
O=C(COc1ccc2ccccc2c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1	514402225	LYACJDMMQRLIST-QHCPKHFHSA-N	525.627	3.469	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)CC1	514290784	BJOXKRBFRUZGCY-PSWAGMNNSA-N	690.848	3.020	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(NC(=O)c2cnc(C)cn2)c1	514294189	ZTSBOICUCYKWOM-UHFFFAOYSA-N	538.674	3.403	0	20	KGAD	
CCOC(=O)CSc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)s1	514296445	QACBQKYUCCPCQM-DZGCQCFKSA-N	528.678	3.311	0	20	KGAD	
CCn1c(SCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)nc2cc(S(N)(=O)=O)ccc21	514296693	KBLRJWNTGTYOPD-HSZRJFAPSA-N	531.704	3.148	0	20	KGAD	
CC[C@@H](C)n1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514375092	KPQBDYUJURIFIG-QGZVFWFLSA-N	580.758	3.325	0	20	KGAD	
CSCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1C(=O)c2ccccc2C1=O	514378669	GVGILOAEUGBREE-NRFANRHFSA-N	501.630	3.218	0	20	KGAD	
CCCn1c(CCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379577	FCEAZGTVEAOAET-FCIYXJNOSA-N	502.681	3.341	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	514389455	HLBJGMPTRJUBBP-UHFFFAOYSA-N	533.716	3.324	0	20	KGAD	
Cc1c(NC(=O)[C@@H](C)Sc2nnc(N3CCCC3)n2Cc2ccco2)c(=O)n(-c2ccccc2)n1C	514394338	UKMLQEBUGMAWFV-GOSISDBHSA-N	507.620	3.437	0	20	KGAD	
CCOc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1OCC	514402800	DVEPVQFSWSNZFV-UHFFFAOYSA-N	561.579	3.497	0	20	KGAD	
CCCCCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514293968	YEAFGVLLJUZYLK-INIZCTEOSA-N	530.510	3.477	0	20	KGAD	
CCn1c(CSc2nnc(-c3ccccc3C)n2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375003	JOMWRTIOPPBLOL-UHFFFAOYSA-N	512.661	3.473	0	20	KGAD	
C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514376461	MMNCCILBESKCNB-SFHVURJKSA-N	527.672	3.344	0	20	KGAD	
COc1ccc([C@H]2CCCN2C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1OC	514394371	LNGRKRXEWSSLKB-HXUWFJFHSA-N	529.615	3.150	0	20	KGAD	
CCCn1c(CCC(=O)NCc2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514404639	KZAWFGSQQHTAQT-UHFFFAOYSA-N	500.621	3.455	0	20	KGAD	
CCOC(=O)c1sc2[nH]c([C@H](C)Sc3nnc([C@@H](CC)N(C)C)n3CCN3CCOCC3)nc(=O)c2c1C	514292888	NSDHPKOOXXCNGB-DLBZAZTESA-N	563.750	3.259	0	20	KGAD	
CN(C[C@@H]1COc2ccccc2O1)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514377486	XYXMBNYKBMJGNM-OAHLLOKOSA-N	515.451	3.210	0	20	KGAD	
COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1	514291610	HLGPXPLBDBNUAD-AHWVRZQESA-N	501.587	3.327	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514293697	WEUPFRYOBMRHQI-UHFFFAOYSA-N	590.768	3.433	0	20	KGAD	
O=C(COc1ccc(Br)cc1F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514377033	XCXJAZXRDOBECE-UHFFFAOYSA-N	542.427	3.227	0	20	KGAD	
CC(=O)c1ccc(NC(=O)CCCCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	514388213	QUCCUVYZYCJSJN-UHFFFAOYSA-N	521.661	3.151	0	20	KGAD	
COC(=O)c1ccc(OC[C@@H](O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)c(OC)c1	514401193	OZNPRJGUEZIEAG-GOSISDBHSA-N	526.615	3.418	0	20	KGAD	
O=C(CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1)Nc1ccccc1C(F)(F)F	514401926	BXHAQYYLOOKKIY-UHFFFAOYSA-N	538.592	3.277	0	20	KGAD	
CCn1c(SCC(=O)NCCCN(C)c2ccccc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514405372	UNZRUZPHWBWZSU-UHFFFAOYSA-N	542.731	3.484	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C	514405435	WGRTUCHOCZMVJO-VWLOTQADSA-N	598.722	3.387	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1	514292682	ONWRJLCWVXGGSE-NRFANRHFSA-N	504.605	3.035	0	20	KGAD	
CCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1OCCC	514296490	RCDSSTBAZJVZLI-UHFFFAOYSA-N	503.621	3.369	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)n2[C@H](C)COC)c1	514296668	NHDJWACMWCKIJR-HXUWFJFHSA-N	686.829	3.086	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSc2nc3nc(C)cc(C)n3n2)c1	514299645	IMPQMEOZZPIYPN-UHFFFAOYSA-N	531.708	3.493	0	20	KGAD	
NC(=O)c1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1	514390925	BSJMSPMOLMJKAX-UHFFFAOYSA-N	552.497	3.158	0	20	KGAD	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NC[C@H](C(C)C)N3CCOCC3)ccc2OC)cc1Cl	514394578	ONWHJPHQERCPJA-HXUWFJFHSA-N	556.081	3.253	0	20	KGAD	
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514296038	NWQQGMLKEIAQNY-RTBURBONSA-N	533.695	3.157	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(c3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376572	CKQMIZZYPXNWEN-UHFFFAOYSA-N	539.702	3.139	0	20	KGAD	
O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1	514380307	LRIJJSLWDBVRJN-KRWDZBQOSA-N	511.978	3.004	0	20	KGAD	
CCCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2cc(S(N)(=O)=O)ccc21	514381545	ITAKMFFBSILREQ-LJQANCHMSA-N	516.645	3.321	0	20	KGAD	
COC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)nc1C	514389547	JBXFCMOIGCFFII-UHFFFAOYSA-N	507.512	3.176	0	20	KGAD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C	514391097	ZUZARSDNKGNEIW-UHFFFAOYSA-N	582.510	3.321	0	20	KGAD	
O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3ccc(Cl)cc3c1)CC2	1826670954	JAAAZCZFUFBKMM-AWEZNQCLSA-N	500.009	3.481	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1S(=O)(=O)N1CCCCCC1	514292804	NGAFTXQKNPZETI-UHFFFAOYSA-N	558.701	3.185	0	20	KGAD	
O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514377084	KZJKQRMIMVBCAC-MRXNPFEDSA-N	516.483	3.458	0	20	KGAD	
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1	514386078	CBRSBEOMQCTLOU-MRXNPFEDSA-N	504.638	3.381	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21	514388069	OLXPKBMOJIIILG-UHFFFAOYSA-N	568.574	3.064	0	20	KGAD	
CCN1CCc2c(sc3nc(S[C@@H](C)C(=O)N4CCC[C@H](C(N)=O)C4)n(-c4cccc(OC)c4)c(=O)c23)C1	514395578	NXSWVVFPKVKOND-IRXDYDNUSA-N	555.726	3.038	0	20	KGAD	
CCCn1c(CCC(=O)NCCc2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514401119	MWFGTEPETIWWPY-UHFFFAOYSA-N	512.632	3.251	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CNC(=O)c2ccc(Br)o2)c1	514297291	RHONJFCDMDRSMM-UHFFFAOYSA-N	527.441	3.041	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514298951	BDNHBWSPPVTLMK-LIRRHRJNSA-N	509.650	3.069	0	20	KGAD	
CC(C)CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)[C@H]1CCS(=O)(=O)C1	514302198	MHNMDHDARWLBML-ROUUACIJSA-N	553.772	3.280	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1	514302758	SDJGVQYMDMZBKP-ISKFKSNPSA-N	528.631	3.372	0	20	KGAD	
COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)nnc12	514376638	PBLUEGYXJQTRLQ-UHFFFAOYSA-N	632.747	3.383	0	20	KGAD	
COc1ccc([C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)NC(C)=O)cc1	514383159	CSSGBLBIWMEIBE-HXUWFJFHSA-N	558.882	3.212	0	20	KGAD	
COCCCn1c(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nnc1-c1ccc(OC)c(OC)c1	514385817	VYBGRMAZVGRCRS-KRWDZBQOSA-N	563.702	3.368	0	20	KGAD	
COc1ccc([C@H](CNC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCCC2)cc1	514295964	HZSKWDVJWUYEHF-DEOSSOPVSA-N	531.675	3.258	0	20	KGAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1	514296217	KVNWNQJTCCTMTN-UHFFFAOYSA-N	556.641	3.005	0	20	KGAD	
O=C(Nc1nc(CN2CCCCCC2)cs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514301914	HCBXABOQNQXYDS-UHFFFAOYSA-N	520.677	3.330	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC	514381162	ZVJKGBKIKPNARF-UHFFFAOYSA-N	520.652	3.024	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccccc2N2CCCC2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514388028	LZFVHEJNWMJOAG-UHFFFAOYSA-N	539.658	3.165	0	20	KGAD	
CC(C)COC[C@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1	514403081	RDWQAZQQQNKBSW-QFIPXVFZSA-N	550.678	3.220	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cn3c(Cl)cccc3n1)CC2	1815629318	CSLOQRWBYVAPGG-LBPRGKRZSA-N	500.009	3.252	0	20	KGAD	
O=C(Cn1ccncc1=O)N[C@@H]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1	1818286282	FJMALVCLOFNEHP-GFCCVEGCSA-N	500.005	3.494	0	20	KGAD	
O=C(CSc1ncccn1)N[C@@H]1CCc2nc(NC(=O)c3cn4ccc(Cl)cc4n3)sc2C1	1818587415	JFHZYKLJWBTXAJ-CYBMUJFWSA-N	500.009	3.252	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NCCc2nc3ccccc3s2)c(O)nc1=O	514301101	VWBYUOWGRUKIAP-UHFFFAOYSA-N	514.652	3.069	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O	514385022	XIGUWCUDMODNMU-UHFFFAOYSA-N	520.652	3.184	0	20	KGAD	
Cc1ccc(-n2c(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)nnc2N2CCCCC2)cc1	514386602	UXFXKFCWNKMGCX-NRFANRHFSA-N	505.710	3.330	0	20	KGAD	
CCN(CC(=O)NC(C)C)C(=O)CN(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C	514388806	ZZGYKSJLNZRBMW-UHFFFAOYSA-N	523.678	3.173	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1	514401677	BVKYTCKBHIIPEI-UHFFFAOYSA-N	506.021	3.147	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(C(=O)C(C)C)CC2)c1	514297087	MZYUJVBBPVWNNC-UHFFFAOYSA-N	507.056	3.294	0	20	KGAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)CC2)c1	514382334	JQBGRFMIWZXPIH-UHFFFAOYSA-N	521.661	3.005	0	20	KGAD	
CCOc1ccc(-n2c(S[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)nc3sc4c(c3c2=O)CCC4)cc1	514388548	PAJNJTGIFOBWKP-CABCVRRESA-N	533.697	3.119	0	20	KGAD	
COc1ccc(CNc2nnc(SCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1	514389610	KZXCNKCQPKVWCF-UHFFFAOYSA-N	522.674	3.351	0	20	KGAD	
CC(=O)CCc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(CCc3ccc(OC(F)F)cc3)C2=O)cc1	514401494	WTWWBOTULXHHSH-IBVKSMDESA-N	504.530	3.493	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c(C(=O)OC)c1C	514380479	NSVNIMOBJRBWKT-UHFFFAOYSA-N	584.116	3.033	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514404494	FXBQYBRBRZODMZ-UHFFFAOYSA-N	579.517	3.137	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC	514293669	VCWDRHAWOKKMAC-UHFFFAOYSA-N	621.782	3.078	0	20	KGAD	
COc1ccccc1-n1c(C)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514296380	PAVZDYIKIYKDQR-UHFFFAOYSA-N	572.532	3.034	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514301187	WAMVKGZSLRFYJC-LEWJYISDSA-N	587.789	3.476	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3	514302148	BXTOPDZQXIVMLY-UHFFFAOYSA-N	534.685	3.330	0	20	KGAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)cc1	514376303	HDDASPOSJPICGP-UHFFFAOYSA-N	606.767	3.431	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514376418	LLOXYBYSBNYGCJ-UHFFFAOYSA-N	654.819	3.331	0	20	KGAD	
O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	514386137	FMPOGBFNBVPOGL-UHFFFAOYSA-N	507.638	3.106	0	20	KGAD	
COC(=O)c1ccc(-c2csc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)n2)cc1	514390376	IBAMWKQDFRKNLM-QGZVFWFLSA-N	504.590	3.241	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCNC(=O)c1ccc(Br)cc1	514292133	LAXKFSABLIEKPN-LJQANCHMSA-N	519.392	3.275	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)N1CCN(C(=O)c2ccco2)CC1	514293244	SKQHKPMBIRCTRN-QGZVFWFLSA-N	542.683	3.186	0	20	KGAD	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514296164	MKQMRNQWKFRTFS-UHFFFAOYSA-N	541.674	3.267	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1	514298557	ACQKRKZVBOUEFR-UHFFFAOYSA-N	627.780	3.177	0	20	KGAD	
C[C@@H]1CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2cccc(Cl)c2)C[C@@H](C)O1	514374618	CYDQQBJSAMLBRV-RTBURBONSA-N	592.143	3.337	0	20	KGAD	
COc1ccc(CC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1	514377590	ASXWKWMFNVSPAU-UHFFFAOYSA-N	599.731	3.407	0	20	KGAD	
O=C(NCCCOC[C@@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514389099	ZDAJRFZPWMACML-INIZCTEOSA-N	512.978	3.461	0	20	KGAD	
CC(C)CC[C@H](C)NC(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514394182	HVESAVUQIAMSJR-FQEVSTJZSA-N	501.715	3.251	0	20	KGAD	
CCCCCn1c(CCC(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)nc2c1c(O)nc(=O)n2CCCC	514294217	XRSHCVDTEQNBQJ-HXUWFJFHSA-N	525.606	3.189	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514377150	YWPDXQMLXKSFEJ-IRXDYDNUSA-N	523.677	3.173	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514377843	LPNGOOJZJGQMFF-UHFFFAOYSA-N	592.523	3.062	0	20	KGAD	
Cc1ccc(C2=NN(C(=O)CNc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)[C@H](c3ccco3)C2)cc1	514380087	JDNNLCQKIYXMAM-NDEPHWFRSA-N	593.706	3.235	0	20	KGAD	
CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	514384900	WADXRKJYXCAFNE-UHFFFAOYSA-N	516.041	3.146	0	20	KGAD	
CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)C2=O)cc1OCCC	514395758	SGABPMJSGLXHLN-UHFFFAOYSA-N	550.612	3.112	0	20	KGAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCO2)n1	514291963	KTXVXYNQLGZNRW-GOSISDBHSA-N	517.633	3.426	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)cc2)C[C@H](C)O1	514294173	ZPDLTDNGYLWBRA-IRXDYDNUSA-N	542.079	3.175	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)cc1	514302027	KWGLBEDQOFBLPK-UHFFFAOYSA-N	519.689	3.143	0	20	KGAD	
CS(=O)(=O)c1ccc(F)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1	514384075	KSTCXWYHJAIJSS-UHFFFAOYSA-N	525.443	3.093	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(N3CCCCC3)nc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514393437	AVUOLAJWKREPOD-UHFFFAOYSA-N	540.690	3.424	0	20	KGAD	
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	514296515	RRQSEHCSHJJROR-GOSISDBHSA-N	560.525	3.387	0	20	KGAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)c1	514297784	XJDJJCFNPRYMMN-UHFFFAOYSA-N	533.672	3.103	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)c(O)nc1=O	514374998	JMVNZSVWGRPNML-UHFFFAOYSA-N	536.058	3.035	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)N2CCOCC2)cc1OC	514395375	JBWJJLYQMFTWRA-XMMPIXPASA-N	571.721	3.316	0	20	KGAD	
CC[C@@H](C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514403755	PJWXEGFFUVKGIG-GOSISDBHSA-N	547.678	3.160	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3cc(Cl)ccc13)CC2	1815629365	GIFUQNMVNHDVKE-GFCCVEGCSA-N	500.009	3.481	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	514377010	WJRBMMDHGAGQBH-NRFANRHFSA-N	525.718	3.208	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	514377297	QJWMHYCTHQMSKG-GOSISDBHSA-N	529.615	3.143	0	20	KGAD	
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)nc(O)c2c1C	514378629	GEPVASJTGMCODA-AWEZNQCLSA-N	540.664	3.434	0	20	KGAD	
CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)[C@@H]1c1ccc(OC)cc1	514381933	BMDDVSUDJBAMIV-KCWPFWIISA-N	559.685	3.443	0	20	KGAD	
CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1	514382013	DHNHNLFCMIWNSW-UHFFFAOYSA-N	587.564	3.098	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1ccccc1OC(F)F	514381016	YYMFIYQZOQKEPX-UHFFFAOYSA-N	512.579	3.206	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1	514382037	ZIBZXEZNXRXYRV-UHFFFAOYSA-N	582.126	3.124	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	514388451	TZCCXEVGRFVJOU-UHFFFAOYSA-N	505.662	3.095	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)CC1	514376608	OQQQMBDNIRIYTF-QGZVFWFLSA-N	524.709	3.369	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1	514388282	MYPNPPNGQNWQJD-ROUUACIJSA-N	515.657	3.219	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2)C[C@H](C)O1	514392791	CBIDPPFDOGPZQY-IRXDYDNUSA-N	500.539	3.493	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnnn1-c1ccc(C)cc1C	514404522	GKBCRJHQRIFECK-UHFFFAOYSA-N	516.649	3.193	0	20	KGAD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2)c1cc2c(Cl)cccc2s1	1797096590	GZKJSRSXUIMXOF-DBWKPXFBSA-N	500.005	3.471	0	20	KGAD	
CC(C)NC(=O)NCc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1	514299241	DMSQLRSREPJRNI-UHFFFAOYSA-N	513.447	3.348	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nc2ccsc2c1=O	514302287	OCZDAABTPVSQIS-GASCZTMLSA-N	522.674	3.007	0	20	KGAD	
COc1ccccc1[C@H](CNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)N1CCCC1	514379632	BJZSDNPVTWWSIT-PKTZIBPZSA-N	505.706	3.357	0	20	KGAD	
CN(CCOc1ccc(Cl)cc1)C(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514388054	UDKUARUXDZCLDJ-UHFFFAOYSA-N	512.960	3.452	0	20	KGAD	
C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514389521	IAZPTNVDEKRVOG-WBVHZDCISA-N	511.695	3.423	0	20	KGAD	
O=C(CSCc1nc(O)c2c3c(sc2n1)CCC3)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	514390061	WPDJNCYQDLYPBA-UHFFFAOYSA-N	536.676	3.181	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1	514390556	OIKKIHCGQGYZFC-UHFFFAOYSA-N	518.661	3.405	0	20	KGAD	
CC[C@@H](C)NC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514395008	AJANJYHEOAXDQR-RTBURBONSA-N	587.724	3.138	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514404371	FHNRQFHTQDZCDF-UHFFFAOYSA-N	643.740	3.310	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc3n(-c4cccc(OC)c4)c(=O)c4ccccc4n23)CC1	514292830	MXDLXVHCEIFVHK-KRWDZBQOSA-N	535.626	3.324	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)CC2)cc1	514301056	XHOISSDXICTFFB-UHFFFAOYSA-N	558.682	3.349	0	20	KGAD	
CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514375940	XHNOIGAFYTZUMC-UHFFFAOYSA-N	565.743	3.212	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(c3ccccc3F)CC1)n2C	514379697	XAJBVPHEEUZOMK-UHFFFAOYSA-N	501.628	3.024	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1cc(OC)c(OC)cc1Br	514382721	BGWZLCANGJHAQL-MRXNPFEDSA-N	544.420	3.335	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)sc(C(=O)OC)c1CC(=O)OC	514383396	IOEJOSSFANJQEL-UHFFFAOYSA-N	559.626	3.146	0	20	KGAD	
CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1	514402619	DBOPNYSCCVAOEX-UHFFFAOYSA-N	524.622	3.272	0	20	KGAD	
O=C(CSc1nc(O)c2c3c(sc2n1)CCCC3)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	514403176	JUOKQSILIHUILI-UHFFFAOYSA-N	540.639	3.179	0	20	KGAD	
N[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc4snnc4c3)sc2C1)c1cccc(Cl)c1	1821276669	GSOXITBCZPMFNW-CXAGYDPISA-N	500.009	3.122	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	514292193	HZRKIYQBCZOXRZ-UHFFFAOYSA-N	541.717	3.287	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)nnc1-c1ccco1	514294132	ZBQSTVATVMKXFB-UHFFFAOYSA-N	560.702	3.300	0	20	KGAD	
C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514374479	CKPRKOICMMDIJS-JOCHJYFZSA-N	584.768	3.453	0	20	KGAD	
CCOc1ccc(-n2c(S[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)nc3sc4c(c3c2=O)CCC4)cc1	514388549	PAJNJTGIFOBWKP-GJZGRUSLSA-N	533.697	3.119	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NC1CCN(Cc3ccccc3)CC1)n2CC(C)C	514390951	WUGMXKZCLJVGDF-UHFFFAOYSA-N	508.667	3.468	0	20	KGAD	
COc1ccc(CN(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)C2CC2)cc1	514401031	JKSOOAIIILQULD-UHFFFAOYSA-N	504.553	3.461	0	20	KGAD	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)n2C[C@@H]2CCCO2)cc1	514403955	UXFOBYJPHBEDIT-RXVVDRJESA-N	525.631	3.191	0	20	KGAD	
COc1ccc(CCN2C[C@H](C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)CC2=O)cc1OC	514405696	YJXDZJLTDMXVFQ-GOSISDBHSA-N	510.616	3.180	0	20	KGAD	
O=C(CSc1ncccn1)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c(Cl)cccc34)sc2C1	1823917158	NZFJSAWGIFFJBL-LLVKDONJSA-N	500.009	3.481	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514296974	PXRCEJVEFFGNPZ-UHFFFAOYSA-N	561.730	3.443	0	20	KGAD	
CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)sc1C	514299794	IVLRVHFSBMLPAM-UHFFFAOYSA-N	587.720	3.476	0	20	KGAD	
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2ccccc2)n1C	514385193	BYBPBWVCSKNXGF-UHFFFAOYSA-N	514.677	3.454	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)OC	514386082	CGVFNYFYTNJMNK-UHFFFAOYSA-N	588.708	3.264	0	20	KGAD	
CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	514400789	AGFGCDYPUBOYNL-OAQYLSRUSA-N	574.900	3.119	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1	514403715	ZSTWMHCBLCFECT-UHFFFAOYSA-N	521.661	3.297	0	20	KGAD	
O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	28242715	HPQYXQLPVPOGLP-UHFFFAOYSA-N	500.005	3.494	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514292295	LRKYJTPYOCVYLD-FQEVSTJZSA-N	652.799	3.180	0	20	KGAD	
CCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514386689	YJCNYBFPDPLEML-UHFFFAOYSA-N	586.696	3.351	0	20	KGAD	
Cc1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)n(C)c(=O)c2c1C	514403112	INBAOTFQUPQFGW-OKILXGFUSA-N	536.701	3.141	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nn4c(=O)cc(C)nc4s3)n2[C@@H](C)COC)c1	514404496	FXPVYYOJGWEYAA-INIZCTEOSA-N	563.731	3.248	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	514293682	VPIVFMSLUPTHJG-UHFFFAOYSA-N	589.740	3.224	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(S(=O)(=O)NC)c3)n2[C@H](C)COC)c1	514302135	BSNXHJISBXNQLH-LJQANCHMSA-N	624.811	3.130	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1	514381809	UAYJJKQMODOGMP-JOCHJYFZSA-N	507.678	3.199	0	20	KGAD	
CCOc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(CC)CC3)c2)ccc1OCC(=O)N1CCCCC1	514382964	CWLHUESPFMCOFH-UHFFFAOYSA-N	558.701	3.055	0	20	KGAD	
CC(C)CCn1c(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514389010	XHYOMGRVQVDBBC-OAGGEKHMSA-N	511.735	3.413	0	20	KGAD	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)cc1F	514389864	PSEIOKTVSPQYBG-UHFFFAOYSA-N	516.639	3.095	0	20	KGAD	
COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1	514295120	GZBYTLYRWBYORC-CALCHBBNSA-N	531.660	3.113	0	20	KGAD	
COC(=O)c1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)ccc1OC	514295907	IMNXBSONUCKVPO-UHFFFAOYSA-N	515.632	3.187	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514301247	YQAZLMBZGIZPEK-UHFFFAOYSA-N	584.724	3.095	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(S(=O)(=O)NC)c3)n2[C@@H](C)COC)c1	514302133	BSNXHJISBXNQLH-IBGZPJMESA-N	624.811	3.130	0	20	KGAD	
CCn1c(SCC(=O)Nc2nc(CC(=O)OC)cs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514374690	FFLNWRVHRAXBNS-UHFFFAOYSA-N	537.689	3.134	0	20	KGAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	514386764	BFNISMRQPXCLED-UHFFFAOYSA-N	505.541	3.273	0	20	KGAD	
CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1	514387163	JRMUVVWSROUWHK-UHFFFAOYSA-N	501.605	3.084	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)sc(C(=O)NC)c1C	514394414	MUKJMBKREOKRPU-LBPRGKRZSA-N	578.532	3.456	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1	514381384	CSQHPBGVIMKWNN-LJQANCHMSA-N	567.730	3.012	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1CCCOC)[C@H]1CCS(=O)(=O)C1	514387379	FJBRINLYHMQLDI-HOTGVXAUSA-N	501.074	3.151	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(CN2CCOCC2)cc1	514299482	GTUJWERDHZZZAB-NRFANRHFSA-N	542.521	3.320	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	514377833	LEKBEEFFLWGKDN-UHFFFAOYSA-N	521.661	3.297	0	20	KGAD	
CC(C)CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514382045	ZWTQHSQRZPZNNA-UHFFFAOYSA-N	559.664	3.199	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(=O)NC[C@@H]4CCCO4)cc3)CC2)cc1	514394919	WIQCFELMPAZZBH-QFIPXVFZSA-N	500.621	3.335	0	20	KGAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(CC(C)C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)c12	514298803	GMFMUQCYULKZPL-NRFANRHFSA-N	605.721	3.172	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)c2)C[C@@H](C)O1	514300330	OWAXNUBTGBTYAX-IAGOWNOFSA-N	516.645	3.183	0	20	KGAD	
CN(CCOc1ccc(Br)cc1)C(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1	514385757	TZMNNPFETOMPDM-UHFFFAOYSA-N	512.455	3.236	0	20	KGAD	
CC(C)CNC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1	514290749	AAFOYBJNPDVKSL-HXUWFJFHSA-N	586.740	3.149	0	20	KGAD	
CCCCN(C(=O)CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)[C@H]1CCS(=O)(=O)C1	514298786	FWGMQKWDJSZTBS-INIZCTEOSA-N	510.041	3.082	0	20	KGAD	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	514299215	CSWUUXKWVPJSRH-UHFFFAOYSA-N	527.615	3.179	0	20	KGAD	
COc1ccc([C@H](CNC(=O)CNC(=O)c2ccccc2I)N2CCCCC2)cc1	514302030	AGQLVPMZUKFOKV-NRFANRHFSA-N	521.399	3.373	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1ccc(Cl)cc1)N(C)C	514375145	LXSKYTVGEHAVKJ-INIZCTEOSA-N	503.028	3.213	0	20	KGAD	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc(Cl)c1OCC(C)C	514384935	XFTCKGRTTJPNEE-QGZVFWFLSA-N	531.052	3.101	0	20	KGAD	
O=C(NC[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1)c1cc(=O)nc2sccn12	1811258172	GVORBBBZMLHOQJ-IFXJQAMLSA-N	500.005	3.499	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	514291105	BVWBVIBLUDMERA-UHFFFAOYSA-N	553.703	3.164	0	20	KGAD	
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)N1CCN(C(=O)c2ccco2)CC1	514374637	DNHYZURKEANEGV-FXAWDEMLSA-N	513.595	3.321	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514376217	DHBRSBFGDGGHBV-QFIPXVFZSA-N	590.768	3.432	0	20	KGAD	
Cc1ccc(O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1	514377854	LSUCFVGZIOPQHI-MRXNPFEDSA-N	502.511	3.363	0	20	KGAD	
CCCCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC)c1c(O)nc(=O)n(CCC)c1N	514379416	UHQSPLCQIAWEMM-UHFFFAOYSA-N	575.736	3.107	0	20	KGAD	
O=C(CCc1ccc(-c2ccccc2)o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514380293	LGGMBZHSWWYSNF-UHFFFAOYSA-N	525.627	3.375	0	20	KGAD	
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1	514383579	HBJPCRHWOBPHCS-UHFFFAOYSA-N	505.644	3.412	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)CC2)cc1	514401837	GJUYESBNQWJUBO-VWLOTQADSA-N	534.078	3.133	0	20	KGAD	
C[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2C1	514376974	JITJJFSQADDEHZ-HNNXBMFYSA-N	526.080	3.258	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)N(CCOC)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccc(C)c2)cc1	514385198	CCQSXPCJHJBNQC-JOCHJYFZSA-N	544.699	3.396	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	514388140	PLBYFAIBXYIIIU-UHFFFAOYSA-N	563.717	3.028	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514389034	XQQDFFGYKMRGGJ-OLZOCXBDSA-N	506.675	3.369	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCn1cnc2sc(C)c(C)c2c1=O	514301604	AKUUGGYSBXLKIN-UHFFFAOYSA-N	504.634	3.287	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(O)nc1=O	514303448	NIBZFSQVJDWXLV-UHFFFAOYSA-N	533.073	3.103	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)n1-c1ccc(F)cc1)N(C)C	514375935	WZOKFEORUFFVPS-UWJYYQICSA-N	523.700	3.470	0	20	KGAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@H](C)COC)n1	514376002	ZAFTVONPSNHNNM-QGZVFWFLSA-N	610.784	3.476	0	20	KGAD	
O=C(NCc1ccc(OC(F)F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514384751	UXZHVWBBBDJPSO-UHFFFAOYSA-N	509.575	3.229	0	20	KGAD	
COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)CC2)c2ccccc12	514387999	LGHXOXWACJRLFE-UHFFFAOYSA-N	550.681	3.275	0	20	KGAD	
C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CC1	514401281	RNDJZVWYFKFUJQ-NRFANRHFSA-N	517.596	3.167	0	20	KGAD	
CC(C)CNC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1	514290748	AAFOYBJNPDVKSL-FQEVSTJZSA-N	586.740	3.149	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514376148	CUBMAEXJWHQCSY-XMSQKQJNSA-N	565.714	3.134	0	20	KGAD	
Cc1cc(C)n2nc(SCc3ccccc3C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)nc2n1	514377999	BKOSCECCJSYZMM-UHFFFAOYSA-N	507.620	3.018	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Oc2ccccc2OC)c1	514379428	UJRFGQFCIXMEGP-UHFFFAOYSA-N	632.761	3.493	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514384276	RYBHXQUDMNIZME-UHFFFAOYSA-N	611.737	3.221	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514384724	UBHQXXNOWYHRQW-PMACEKPBSA-N	548.086	3.326	0	20	KGAD	
CCCCN(C(=O)CN(C)Cc1cc(OC)c(OC)cc1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514384893	VSYPUUPDZZHPAV-UHFFFAOYSA-N	523.634	3.170	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)CC2)cc1	514385700	RLTOSCNBLRNYCK-HXUWFJFHSA-N	575.738	3.013	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1	514393596	GRVTUVCGFMMSCC-UHFFFAOYSA-N	509.650	3.120	0	20	KGAD	
O=S(=O)(c1ccc(N2CCCC2)c(NCCN2c3cccc4cccc(c34)S2(=O)=O)c1)N1CCOCC1	514404485	FOZSHXPIQGBTJJ-UHFFFAOYSA-N	542.683	3.082	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1	514405648	ZZNWGOSNSNUHMG-OAQYLSRUSA-N	522.023	3.192	0	20	KGAD	
COc1cc(CN(C)C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)ccc1OC(F)F	514293161	QNQPVWSFTHLTEM-MRXNPFEDSA-N	506.568	3.494	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1	514387446	MVMQJVWJIZBWPQ-UHFFFAOYSA-N	581.761	3.352	0	20	KGAD	
CCn1c(CCC(=O)NCc2ccc(OC(F)(F)F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514391931	QJELZFXTAQXOEA-UHFFFAOYSA-N	540.564	3.225	0	20	KGAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)sc2c1CCS(=O)(=O)C2	514392766	AZDQAPSUDGVGET-UHFFFAOYSA-N	554.712	3.052	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)CC2)c(C)c1	514393690	JGDYBHWITDVDKA-OALUTQOASA-N	506.694	3.409	0	20	KGAD	
CCN1CCc2c(sc3nc(S[C@H](C)C(=O)N4CCC[C@@H](C(N)=O)C4)n(-c4cccc(OC)c4)c(=O)c23)C1	514395577	NXSWVVFPKVKOND-IAGOWNOFSA-N	555.726	3.038	0	20	KGAD	
CN(CC(=O)Nc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514377513	YRONSCCPYDJZLZ-UHFFFAOYSA-N	501.502	3.342	0	20	KGAD	
O=S(=O)(c1ccc(OCCSc2nnc(Cc3cccs3)n2C2CC2)cc1)N1CCOCC1	514390422	JHTPHZCFMSPMNQ-UHFFFAOYSA-N	506.675	3.457	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C	514391543	MHCVZHAAVDMCGH-LJQANCHMSA-N	512.632	3.006	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCOCC3)n2CC(C)C)sc(C(C)=O)c1C	514383202	IGIJSKFGIZGPPT-UHFFFAOYSA-N	509.654	3.251	0	20	KGAD	
O=C(Cc1csc(N2CCCC2=O)n1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514387183	KLJFUZXZWHZDQZ-UHFFFAOYSA-N	570.537	3.383	0	20	KGAD	
C[C@H]1CN(Cc2csc(NC(=O)C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)n2)C[C@H](C)O1	514393488	CLXYQMDOHLAYGM-KBPBESRZSA-N	524.573	3.064	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cn1	514404997	PQVNPWHOBDHQBD-QGZVFWFLSA-N	519.476	3.264	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514293712	WSTVYDXRKHODMI-URXFXBBRSA-N	620.794	3.426	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)cc1	514376706	PWEXRBJXMQDVTJ-UHFFFAOYSA-N	547.699	3.412	0	20	KGAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1C	514383223	FAMGWRCUDWRFKO-HNNXBMFYSA-N	507.663	3.181	0	20	KGAD	
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514394734	RGZNSERIQZEJDO-UXPWSPDFSA-N	502.555	3.439	0	20	KGAD	
COCCCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)nc2cc(C(=O)OC)ccc2c1=O	514395567	NJTXLFUJOVFAQV-HNNXBMFYSA-N	515.588	3.356	0	20	KGAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)N2CCOCC2)cc1	514299296	KDEFSWSCKCCAIP-DEOSSOPVSA-N	540.057	3.078	0	20	KGAD	
COCCCN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514303641	XPMLBGMASLKBKR-UHFFFAOYSA-N	553.582	3.128	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(F)F)cc3)CC2)c(C(=O)OC)c1C	514377107	LXLKOVOIDNIGEM-UHFFFAOYSA-N	546.570	3.271	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)NCCc1ccccc1OC)c1c(O)nc(=O)n(CCCC)c1N	514378536	HEAFPBJEFWHNDN-UHFFFAOYSA-N	501.628	3.002	0	20	KGAD	
COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3nnc(CN4CCCCC4)n3-c3ccccc3)nc(=O)c12	514388184	WDNVLIPQTKSCCB-UHFFFAOYSA-N	568.681	3.346	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1	514395825	UXCFGPJZHQPIPQ-OAQYLSRUSA-N	506.650	3.408	0	20	KGAD	
O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514405625	YYTZLHWKJDKQFV-UHFFFAOYSA-N	590.587	3.151	0	20	KGAD	
CN(Cc1ccccc1Br)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514295233	DJONJSOTEBEYHR-UHFFFAOYSA-N	509.422	3.280	0	20	KGAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(CC(C)C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)c12	514298804	GMFMUQCYULKZPL-OAQYLSRUSA-N	605.721	3.172	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1	514384905	WENPWQQFMUXHKV-UHFFFAOYSA-N	501.605	3.406	0	20	KGAD	
CCOc1cc(-c2nnc(S[C@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)o2)cc(OCC)c1OCC	514389109	ZEFJPHYRFYARAG-WBVHZDCISA-N	527.665	3.449	0	20	KGAD	
CC(C)CC[C@@H](C)NC(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514394183	HVESAVUQIAMSJR-HXUWFJFHSA-N	501.715	3.251	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1	514395883	WHCZXBRKPSQGAF-UHFFFAOYSA-N	513.616	3.139	0	20	KGAD	
O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	514403800	QOLHMDJKLDPSDF-LJQANCHMSA-N	542.521	3.060	0	20	KGAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CC2)c1cnc(Cl)s1	1820790743	WMGCLDMZVAUWIT-AAINXJRWSA-N	500.005	3.389	0	20	KGAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)sc(C)c1C	514291689	DUBZSIHFICMGKH-UHFFFAOYSA-N	508.618	3.368	0	20	KGAD	
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	514388187	QFSFKYNBWNHCSC-UHFFFAOYSA-N	531.700	3.168	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CN1C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C1=O)n2CC	514389167	AXEPBDUUJWHTAA-QFIPXVFZSA-N	507.378	3.393	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)sc(C(=O)NC)c1C	514394413	MUKJMBKREOKRPU-GFCCVEGCSA-N	578.532	3.456	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)NC(=O)NC3CC3)n2CC(C)C)c1	514404059	XEORGMDEACRZFZ-MRXNPFEDSA-N	522.697	3.100	0	20	KGAD	
O=C(CSc1nc[nH]n1)N[C@H]1CCc2nc(NC(=O)c3cnc4cccc(Cl)c4c3)sc2C1	1824318331	BLYWQCXIPJAPOM-LBPRGKRZSA-N	500.009	3.481	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cccc(Br)c2)c1	514381015	VNKCRHOMRSGXPY-UHFFFAOYSA-N	532.482	3.117	0	20	KGAD	
COc1ccc([C@H](CNC(=O)CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)c2c[nH]c3ccccc23)cc1	514395070	BRTLDTWQUVVZHZ-GMAHTHKFSA-N	562.696	3.405	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)[C@@H]1CCS(=O)(=O)C1	514395224	FWZHRMIEZNEJIQ-CZUORRHYSA-N	510.041	3.081	0	20	KGAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514404354	DSMGIUOWHNSUTA-FCHUYYIVSA-N	548.637	3.499	0	20	KGAD	
CC[C@H](C)[C@@H]([C@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C	2060005853	WRVLBJXFSHALRZ-GORMXBFWSA-N	746.003	3.192	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1S(=O)(=O)N(CC)CC	514293473	RBKLZHJTLUGXHQ-UHFFFAOYSA-N	565.714	3.358	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1-c1ccc(OC)cc1)N(C)C	514299429	FVKAPHAFRUBGEJ-FQEVSTJZSA-N	528.704	3.427	0	20	KGAD	
CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1nnc2ccccn12	514382317	JCCPFRMWEYFSQO-LJQANCHMSA-N	509.604	3.019	0	20	KGAD	
COCCN(C(=O)CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1c(O)nc(=O)n(CC(C)C)c1N	514383014	AZRBLOWZOSCPOO-UHFFFAOYSA-N	568.597	3.204	0	20	KGAD	
O=C(COc1ccccc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)Nc1ccc(Br)cc1	514393966	DCHQBGQSHJMTOP-GOSISDBHSA-N	530.419	3.178	0	20	KGAD	
O=C(Cn1ccc2sccc2c1=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)cn3)sc2C1	1820424958	JWVSKHLVDZUTED-CYBMUJFWSA-N	500.005	3.494	0	20	KGAD	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514295487	JWDSSXBKYXJIPN-UHFFFAOYSA-N	563.698	3.062	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514297395	SZSUHSMLZNIJSP-UHFFFAOYSA-N	544.493	3.407	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1	514303059	SDJGVQYMDMZBKP-LADGPHEKSA-N	528.631	3.372	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(CN3CCCC3)n2Cc2ccccc2)sc(C(N)=O)c1C	514375170	LMYWRBGAWCYUCT-UHFFFAOYSA-N	542.687	3.299	0	20	KGAD	
CCCCCN(C(=O)CSc1nnnn1-c1ccc(Cl)cc1)c1c(O)nc(=O)n(CCCC)c1N	514375817	XCRJAFWNSMRTOA-UHFFFAOYSA-N	521.047	3.276	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2oc3c(F)cccc3c2C)CC1	514383217	DVLOPBPNLHHINO-UHFFFAOYSA-N	530.622	3.295	0	20	KGAD	
C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	514387947	KESHXWPRZQJYQL-NWDGAFQWSA-N	513.617	3.313	0	20	KGAD	
CCN(CC)C(=O)c1ccc(NCC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1	514402621	DBRCIHAIGSFBOG-UHFFFAOYSA-N	520.634	3.163	0	20	KGAD	
Cc1cc(C)cc(N(CCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(Br)cc2)c1	514293223	SQZSTWWTHVLTBP-QFIPXVFZSA-N	543.505	3.345	0	20	KGAD	
O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nc1)N1CCCCC1	514297827	VDVYGQKZSPQQLM-UHFFFAOYSA-N	519.476	3.074	0	20	KGAD	
CC[C@@H](c1nnc(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1ccc(OC)cc1)N(C)C	514375192	MPXQIZZELXMVLL-RXVVDRJESA-N	526.663	3.347	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(Br)ccc2I)CC1	514379551	CYOPNCBFWJVGNK-UHFFFAOYSA-N	663.376	3.469	0	20	KGAD	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)C(=O)c1ccc2c(c1)NC(=O)CO2	514384827	ZCKRWOKKTGKVQA-MRXNPFEDSA-N	511.579	3.111	0	20	KGAD	
Cn1c(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)nnc1[C@@H]1COc2ccccc2O1	514386019	ZJNAZJITYRYRQL-NRFANRHFSA-N	576.601	3.221	0	20	KGAD	
CCOc1c(Br)cc(Cl)cc1NCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N	514393819	LJVQBEUGBQXLCK-UHFFFAOYSA-N	546.850	3.093	0	20	KGAD	
Cc1c(NC(=O)CSCC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(=O)n(-c2ccccc2)n1C	514401802	FBWIQTCOOYNNTG-UHFFFAOYSA-N	547.681	3.240	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)N2CCCC2)cc1	514402784	NHBSEENMJHWCDZ-XMMPIXPASA-N	537.686	3.118	0	20	KGAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cncc(Br)c2)CC1	514295222	CVKCRFVEBHTLKO-UHFFFAOYSA-N	522.469	3.023	0	20	KGAD	
O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1	514298296	ZNXYEVBOGREVFF-UHFFFAOYSA-N	519.567	3.127	0	20	KGAD	
CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCCCCC3)cc2)CC1	514302677	PHMLMNXXVGDIJH-UHFFFAOYSA-N	631.821	3.347	0	20	KGAD	
CCN(CC)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1	514377649	DCCXSJUBXCZELU-QHCPKHFHSA-N	501.649	3.058	0	20	KGAD	
O=C(CSc1nc(C2CC2)nc2c1c(O)nc(=O)n2C1CC1)Nc1ccccc1I	514394838	UKUZAZXKLYSMCI-UHFFFAOYSA-N	535.367	3.440	0	20	KGAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)[C@@H]1CCS(=O)(=O)C1	514294003	YOKGQJLFBCWIND-MSOLQXFVSA-N	553.772	3.424	0	20	KGAD	
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl)C(=O)NC[C@H]1CCCO1	514294325	WIRACXYAXDNZDO-UYAOXDASSA-N	592.143	3.384	0	20	KGAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12	514380888	XKCNSNRWNLRHMQ-UHFFFAOYSA-N	595.099	3.042	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1	514386035	ZNNMOEVYKNWULA-IBGZPJMESA-N	513.616	3.361	0	20	KGAD	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc([C@@H](CC)N(C)C)n1CCN1CCOCC1	514391422	ITFPTHZTBQKWEH-VQTJNVASSA-N	506.742	3.313	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)sc(C(=O)NC)c1C	514393420	AJUPVUZLCIECQI-UHFFFAOYSA-N	520.681	3.486	0	20	KGAD	
O=C(CSc1ncccn1)N[C@@H]1CCc2nc(NC(=O)c3cnc4c(Cl)cccn34)sc2C1	1816078337	VCGDBMNCLWVUNY-GFCCVEGCSA-N	500.009	3.252	0	20	KGAD	
CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccncc3)n2CCOC)c(C(=O)OCC)c1C	105590992	NGTCXXCEIYDSMM-UHFFFAOYSA-N	533.632	3.441	0	20	KGAD	
CCCCn1c(CCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514292712	PHGNWABNWNGMNY-HHHXNRCGSA-N	571.744	3.218	0	20	KGAD	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514300118	KGYLFDBUQJUELY-UHFFFAOYSA-N	546.999	3.308	0	20	KGAD	
CCCCCC(=O)Nc1ccc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)cc1	514300937	UHBCZKIZTJYAMO-UHFFFAOYSA-N	501.605	3.351	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1	514380817	URMOPLJTTLWJBA-UHFFFAOYSA-N	674.673	3.196	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O	514383138	GSGFRNIDGLZKPA-UHFFFAOYSA-N	521.661	3.224	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)n2c1	514391631	NTDIBWAVENOXHM-UHFFFAOYSA-N	501.678	3.333	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccccc3)CC2)c(C(=O)OC)c1C	514393884	NWASAAUPNNFBHZ-IBGZPJMESA-N	534.656	3.394	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)ccc1C	514403062	QGOXYZTUWULXTL-UHFFFAOYSA-N	507.556	3.118	0	20	KGAD	
O=C(CSc1nc[nH]n1)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)nc4ccccc34)sc2C1	1818283518	MLWFRSJWXKDHFO-NSHDSACASA-N	500.009	3.481	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c(O)nc1=O	514377333	RJHPXYXDLRHTLS-UHFFFAOYSA-N	593.523	3.268	0	20	KGAD	
COc1cc(CN(C)C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)ccc1OCc1ccccc1	514387371	FFZMZPSKZKXGSR-HXUWFJFHSA-N	531.656	3.385	0	20	KGAD	
CN(Cc1nc(O)c2sccc2n1)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514394109	PQMVVPYZTSOJBL-UHFFFAOYSA-N	531.479	3.280	0	20	KGAD	
C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N1CCN(c2ncccn2)CC1	514402840	FWFGQFDQUTZMFI-MRXNPFEDSA-N	500.028	3.465	0	20	KGAD	
C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)C1	514292408	LWHGGSZSYZONRH-PMACEKPBSA-N	559.714	3.204	0	20	KGAD	
CC(C)CNC(=O)c1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(F)cc2c1=O	514295775	FIQFNPGLWSCPCL-UHFFFAOYSA-N	584.670	3.143	0	20	KGAD	
CCCCCn1c(CCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)nc2c1c(O)nc(=O)n2CCCC	514377425	UZAWCZGNDKXGMT-DEOSSOPVSA-N	568.719	3.420	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCN1C(=O)COc2ccccc21	514383016	DUVSOQLGUWWWEP-UHFFFAOYSA-N	501.605	3.403	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514386256	IMLLKCUGRZWZJC-UHFFFAOYSA-N	595.769	3.221	0	20	KGAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2Cc2ccco2)c1C	514394167	RQHHEOAGUUSZGI-IYBDPMFKSA-N	532.692	3.397	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)NC3CCCC3)n2CC(C)C)c1	514403520	LWFLHXTXTBNFAI-UHFFFAOYSA-N	536.724	3.492	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)ccc1Cl	514300036	LKLUHEJJNZSSGZ-UHFFFAOYSA-N	500.042	3.335	0	20	KGAD	
CCCn1c(CCC(=O)NCc2ccc(OC(F)F)c(OC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514300850	SNRZHYXBGNDGJE-UHFFFAOYSA-N	566.627	3.326	0	20	KGAD	
CCc1ccc2nc(NC(=O)CCc3nc4cc(S(=O)(=O)N5CCOCC5)ccc4n3C)sc2c1	514379235	QEFGGJWHJUGLQP-UHFFFAOYSA-N	513.645	3.338	0	20	KGAD	
CC(C)C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCOCC1	514394935	WZWNBQMJIPSOIN-SFHVURJKSA-N	506.496	3.257	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)c(O)nc1=O	514295790	HCQITTSRDCPSMZ-UHFFFAOYSA-N	676.034	3.049	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)CNC(=O)c2ccccc2I)N2CCCCC2)cc1	514302034	AGQLVPMZUKFOKV-OAQYLSRUSA-N	521.399	3.373	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2CCCO)ccc1C	514375543	RTJSBQCYIFTGSZ-SFHVURJKSA-N	532.688	3.237	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1	514378861	JEZOCDZVZXUPBM-QFIPXVFZSA-N	592.784	3.219	0	20	KGAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1	514383711	IVALJUCOVZEXCF-UHFFFAOYSA-N	586.667	3.092	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1-c1ccc(F)cc1)N(C)C	514385064	YZRKQHGKGRCXAE-INIZCTEOSA-N	502.641	3.167	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1	514388963	WOPLRRGFBLNJSX-AEFFLSMTSA-N	504.634	3.111	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293382	QSPWGIGDOKSYGW-KRWDZBQOSA-N	516.645	3.399	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NC[C@H](c1ccco1)N1CCCCC1	514296822	OIXORSYBUXQRLC-OAQYLSRUSA-N	505.637	3.233	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1OC	514300136	TZGZECZQEJTIDP-UHFFFAOYSA-N	530.430	3.166	0	20	KGAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1	514374899	HOBYFKXNTORKNJ-LJQANCHMSA-N	509.694	3.120	0	20	KGAD	
COCCCN(C(=O)c1cc(Br)ccc1I)c1c(O)nc(=O)n(CC(C)C)c1N	514379108	LXYWBBBRGVHWCR-UHFFFAOYSA-N	579.233	3.238	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514379404	UDSBVRSFDCESDO-UHFFFAOYSA-N	569.684	3.250	0	20	KGAD	
COc1ccc([C@H](CC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)NC(C)=O)cc1	514384561	QBIYTYOZXWFBPG-FQEVSTJZSA-N	514.431	3.102	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1	514390065	WRNDIWSRAYUCIT-UHFFFAOYSA-N	543.564	3.482	0	20	KGAD	
CCOC(=O)Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1	514390885	AKHJJAMXSBUDKT-UHFFFAOYSA-N	505.540	3.307	0	20	KGAD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3c(Cl)cccc3s1)C2)c1cnc2snnc2c1	1798504198	HPILLXKLVJEHHT-DBWKPXFBSA-N	500.005	3.471	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514300681	QBSIIDBBTLOPCR-UHFFFAOYSA-N	561.730	3.456	0	20	KGAD	
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1S(=O)(=O)N1CCCCC1	514382779	VKNCHQWBRFZXOU-BGYRXZFFSA-N	565.714	3.310	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c(OCC)c(OC)c3)CC2)cc1	514304683	WGMPQUDLELDOBZ-UHFFFAOYSA-N	510.996	3.071	0	20	KGAD	
CN(CCOc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514376591	CUNCJGHCTMIQRF-UHFFFAOYSA-N	509.024	3.439	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1	514380050	IBMFGVWKJACMOW-RTBURBONSA-N	517.648	3.471	0	20	KGAD	
Cc1ccccc1-n1c(S[C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)nnc1N1CCOCC1	514395533	MRLYINLIOJKTDF-QFIPXVFZSA-N	536.702	3.042	0	20	KGAD	
C[C@@H](c1ccccc1)n1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	514291992	KWHICGIQEYBYGB-VSKRKVRLSA-N	585.752	3.303	0	20	KGAD	
O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514294737	ALANSIPBODZGHC-UHFFFAOYSA-N	580.487	3.193	0	20	KGAD	
CSCC[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514387515	INYRZPRVCNTJDF-JZXOWHBKSA-N	562.541	3.123	0	20	KGAD	
COc1ccc(C(=O)N(C)Cc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCCc2ccccc21	514393245	UGTTXXVQWVRWFU-UHFFFAOYSA-N	509.632	3.427	0	20	KGAD	
CN1CCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3)cn2)CC1	514394464	OCNJVBYLSVQDRT-UHFFFAOYSA-N	560.042	3.223	0	20	KGAD	
CC(C)COC[C@@H](O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1	514403080	RDWQAZQQQNKBSW-JOCHJYFZSA-N	550.678	3.220	0	20	KGAD	
CCCCN(C(=O)CSc1nnc2n(CCCC)c(=O)c3ccccc3n12)c1c(O)nc(=O)n(CC(C)C)c1N	514290902	CVBAVDXSDDNHOK-UHFFFAOYSA-N	568.704	3.270	0	20	KGAD	
CCn1c(CCC(=O)N2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514303872	QACDAKNLIJXEHH-YTTGMZPUSA-N	616.788	3.441	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CSCC(=O)Nc2ccc(C)cc2)c1	514376427	LTZJATXBZROGQO-UHFFFAOYSA-N	534.704	3.173	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4c(C)nc5cc(C)ccn45)CC3)CC2)cc1	514381879	APGOZUBWRAJRHM-UHFFFAOYSA-N	509.676	3.005	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1	514385702	RPNRYYHDODLSPU-UHFFFAOYSA-N	539.481	3.104	0	20	KGAD	
C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc(Br)cc1Br	514388314	OCXDFFRJIISNOV-MNOVXSKESA-N	552.314	3.437	0	20	KGAD	
C[C@@H]1CCCN(Cc2csc(NC(=O)CCn3c(=O)oc4cc(S(=O)(=O)N5CCCC5)ccc43)n2)C1	514391655	MSOGBEAIUQTQDL-QGZVFWFLSA-N	533.676	3.096	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1ccc(OC(F)F)c(Cl)c1	514405484	WKLATMDQSJKUBA-UHFFFAOYSA-N	580.031	3.281	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1	514296307	LGQZUOCAXCFBRG-UHFFFAOYSA-N	553.703	3.086	0	20	KGAD	
COc1ccc(CCC2CCN(C(=O)c3cccc(S(=O)(=O)N4CCN(C(C)=O)CC4)c3)CC2)cc1	514298641	DJUKILHAWQIQDX-UHFFFAOYSA-N	513.660	3.033	0	20	KGAD	
COCCN(C(=O)CNc1ccccc1CN(C)C1CCCCC1)c1c(O)nc(=O)n(CC(C)C)c1N	514298973	BSJVEVYWROGOPZ-UHFFFAOYSA-N	514.671	3.043	0	20	KGAD	
O=C(COc1cccc2cccnc12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514376304	HDOMAJYDIOLLQV-UHFFFAOYSA-N	510.616	3.264	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)CC2)cc1	514377288	QDTKEBSDWLCUCG-UHFFFAOYSA-N	580.501	3.432	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)c1	514393640	IBICPVNLFHZNOC-HXUWFJFHSA-N	580.777	3.463	0	20	KGAD	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)n2Cc2ccco2)C1	514394565	YQLIJJSWVPPDRG-IXDOHACOSA-N	518.665	3.168	0	20	KGAD	
O=C(CSc1nc[nH]n1)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)nc4ccccc34)sc2C1	1818283516	MLWFRSJWXKDHFO-LLVKDONJSA-N	500.009	3.481	0	20	KGAD	
CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)sc2c1CC(C)(C)NC2(C)C	514293674	VGXCFKSNQWQNKW-UHFFFAOYSA-N	576.741	3.189	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3nc(CC(=O)OC)cs3)n2[C@H](C)COC)c1	514374220	NFVIHTIXNHGUKN-MRXNPFEDSA-N	596.757	3.086	0	20	KGAD	
CC[C@@H](c1nnc(S[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1ccc(OC)cc1)N(C)C	514375191	MPXQIZZELXMVLL-NQIIRXRSSA-N	526.663	3.347	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	514376456	AIUAPMFGJOXBQJ-CALCHBBNSA-N	538.464	3.266	0	20	KGAD	
COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514392732	AAJBUWSFISLYAN-WMZHIEFXSA-N	549.715	3.135	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCC[C@@H]2c2cccc(OC)c2)c(O)nc1=O	514393422	ALHHZYCRQWTOCE-OAQYLSRUSA-N	513.639	3.473	0	20	KGAD	
COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Sc1nc(C2CC2)nc2c1c(O)nc(=O)n2C1CC1	514396044	ZZZCZQNVPBWLGU-LLVKDONJSA-N	510.576	3.191	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1	514403626	WEDFGTABTRGOAU-JOCHJYFZSA-N	575.688	3.323	0	20	KGAD	
O=C(Cc1ccccc1Cl)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4sccn34)sc2C1	1821152281	DFKCHGJDYZKIDX-CYBMUJFWSA-N	500.005	3.334	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c(O)nc1=O	514293658	UQTOSHLLMOKUPF-XMMPIXPASA-N	570.735	3.452	0	20	KGAD	
Cc1sc2nc(CS[C@H](C)C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc(O)c2c1C	514294947	FGMCBNMRIYUXSR-OAHLLOKOSA-N	524.665	3.308	0	20	KGAD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(O[C@H](C)C(=O)Nc4ccccc4OC(F)F)c3c2)C1	514386955	AOEPJWIGLADOAP-OWCLPIDISA-N	523.562	3.155	0	20	KGAD	
COc1ccc(CN(C(=O)CN2CCN(CC(=O)N(Cc3ccc(OC)cc3)C3CC3)CC2)C2CC2)cc1	514387191	CVIHUVWQDQIWCG-UHFFFAOYSA-N	520.674	3.004	0	20	KGAD	
O=C(CSc1nc(O)c2c3c(sc2n1)CCCC3)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	514390040	WAXNXZVKHPUCRF-UHFFFAOYSA-N	522.649	3.040	0	20	KGAD	
CSc1cccc(N2C[C@H](C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)CC2=O)c1	514293848	YZOVEXAQPVVVMG-LJQANCHMSA-N	544.699	3.021	0	20	KGAD	
O=C(CSCCOc1cccc(Br)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514295967	DBPNGCPBEFOQDI-UHFFFAOYSA-N	515.451	3.221	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299379	DLFZOZUOIXGBGL-ZWKOTPCHSA-N	566.076	3.465	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)N2CCOCC2)cc1OC	514301868	FMKTUBOWGPPCOV-HSZRJFAPSA-N	517.573	3.024	0	20	KGAD	
C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Oc2ccccc2)C1=O	514381552	JAEVVWKGEDKWDI-AREMUKBSSA-N	526.615	3.313	0	20	KGAD	
O=C(NC1CCN(C(=O)c2ccco2)CC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514394647	QGXQRZHSHXSROK-UHFFFAOYSA-N	514.431	3.408	0	20	KGAD	
O=C1CN(c2ccc(NC(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)cc2Cl)CCN1	106178631	NGEXXFNINNIXOB-UHFFFAOYSA-N	500.005	3.415	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)c(O)nc1=O	514290850	AQOZHSPRLFLBLO-UHFFFAOYSA-N	526.663	3.167	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1	514300853	SPSJUCMSPXMVCD-DEOSSOPVSA-N	516.616	3.159	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1S(=O)(=O)N1CCCC1	514390983	FDZXXPVJFDCYAT-UHFFFAOYSA-N	567.594	3.181	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)n2-c1ccccc1OC	514404655	HRSRADFSQCMLRP-MOPGFXCFSA-N	594.781	3.191	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299378	DLFZOZUOIXGBGL-ROUUACIJSA-N	566.076	3.465	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cc(Cl)c(OC)cc2OC)c(C(=O)OC)c1C	514381067	VYDZPHGCPNLRQG-CYBMUJFWSA-N	595.117	3.339	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1	514382867	XCKRXNXQHCCMGU-UHFFFAOYSA-N	526.703	3.049	0	20	KGAD	
COC(=O)CCNC(=O)CSc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@H]1CCCO1	514386544	RRSRFYUTRDNIJE-QGZVFWFLSA-N	501.630	3.384	0	20	KGAD	
CC(C)Cn1c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514389113	ZHZKSGFKPXMRBR-BZUAXINKSA-N	511.735	3.365	0	20	KGAD	
CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)[C@@H]1c1ccccc1OC	514389762	MBHLPUSXWFTOOX-BWKNWUBXSA-N	577.725	3.156	0	20	KGAD	
CCOc1ccc(NC(=O)CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCCC1	514389964	TWUHTTDZBWVRMO-VWLOTQADSA-N	554.713	3.248	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1	514384699	UJLHECHUJKTTCG-UHFFFAOYSA-N	522.693	3.210	0	20	KGAD	
CSc1nc2nc(C)c(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c(C)n2n1	514385220	DFQNJFFFNPKKDH-HUUCEWRRSA-N	502.666	3.311	0	20	KGAD	
COc1cc(CCNC(=O)CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)ccc1OC(F)F	514386334	KXUWHBLBPNAXGG-UHFFFAOYSA-N	537.564	3.304	0	20	KGAD	
O=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(Cl)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	514386535	RJIHEWMDAFBEEV-LJQANCHMSA-N	567.520	3.116	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1CCCOC)[C@@H]1CCS(=O)(=O)C1	514387381	FJBRINLYHMQLDI-JKSUJKDBSA-N	501.074	3.151	0	20	KGAD	
C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1	514395787	TZJSIJKDWCFDJH-IBGZPJMESA-N	506.632	3.409	0	20	KGAD	
CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)Cc2nc(O)c3cc(OC)c(OC)cc3n2)cc1	514401556	YXULYFRVECRKLQ-OAHLLOKOSA-N	502.593	3.092	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1CCN1CCOCC1)N(C)C	514291484	FPEKCVHRJKYWAA-HXUWFJFHSA-N	515.709	3.477	0	20	KGAD	
COc1ccccc1[C@H](CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)N1CCCC1	514377778	IQRAKLRDBUBBAE-SKPFHBQLSA-N	501.649	3.060	0	20	KGAD	
O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(C[C@H](O)COCc2cccs2)CC1	514380973	UGNHKCSMPIHWDA-HNNXBMFYSA-N	509.875	3.048	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1	514380048	IBMFGVWKJACMOW-OALUTQOASA-N	517.648	3.471	0	20	KGAD	
O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	514390836	WJPONBZXIHSKTB-UHFFFAOYSA-N	526.684	3.491	0	20	KGAD	
C[C@H]1Cc2cc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)ccc2N1S(C)(=O)=O	514403386	UIVWFCQXFSPSKG-ZDUSSCGKSA-N	502.946	3.427	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)ccc1C	514292852	PKXGRZYQGVUTGX-UHFFFAOYSA-N	511.641	3.204	0	20	KGAD	
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl)C(=O)NC[C@@H]1CCCO1	514294324	WIRACXYAXDNZDO-QUCCMNQESA-N	592.143	3.384	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N(CCN(C)C)Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N	514299222	DBOGHGXJNIIQBH-UHFFFAOYSA-N	528.698	3.225	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	514377328	RFWVRFVMDZEANZ-JOCHJYFZSA-N	516.616	3.181	0	20	KGAD	
CCn1c(CCC(=O)Nc2nc3ccc(OC)cc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377348	RUAAJDJFWQNAJJ-UHFFFAOYSA-N	529.644	3.267	0	20	KGAD	
COCCN(C(=O)CCC(=O)NCCC(c1ccccc1)c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514377392	TWZBXKAIXVCOEU-UHFFFAOYSA-N	549.672	3.285	0	20	KGAD	
Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1	514378726	WEEXIWTVAHGAOP-IBGZPJMESA-N	501.630	3.451	0	20	KGAD	
CCCCn1c(SCC(=O)N(CCC(N)=O)c2ccccc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21	514391018	XQBYBMSBXDCADW-UHFFFAOYSA-N	547.703	3.096	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1	514292054	JVIIKAKGKNBMMZ-SBHAEUEKSA-N	505.637	3.030	0	20	KGAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1	514294224	XUBZGMUYBXEJAV-UHFFFAOYSA-N	605.761	3.119	0	20	KGAD	
CCCc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)cc1	514380096	FFGLEZKQBWGTLE-HXUWFJFHSA-N	523.677	3.052	0	20	KGAD	
CCCn1c(CCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380982	UMWMYBGGJDXFAT-MHZLTWQESA-N	571.719	3.492	0	20	KGAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	514392932	HZGNCGSIFIHVII-DEOSSOPVSA-N	584.768	3.226	0	20	KGAD	
COc1cc(OC)c(OC)cc1CNC(=O)CSc1nnc(N2CCC(C)CC2)n1C[C@H]1CCCO1	514394540	YGUMSKIMRHKEKE-LJQANCHMSA-N	519.668	3.128	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)c(O)nc1=O	514295610	IUSXPKZSKBMGAM-UHFFFAOYSA-N	613.741	3.490	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C	514296664	JZUQFKMCGIVJDD-PPXQLYMYSA-N	547.718	3.402	0	20	KGAD	
CCn1c(SC[C@H](O)COc2cccc(C(C)=O)c2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514297199	QNZPYPAWDBLLJE-OAQYLSRUSA-N	530.672	3.484	0	20	KGAD	
CCOc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCCC1	514297371	VNQFASADFWUMJE-HSZRJFAPSA-N	563.698	3.254	0	20	KGAD	
Cc1ccc(NC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)cc1S(=O)(=O)N(C)C	514376260	FKMHSZLKMGLSFD-UHFFFAOYSA-N	527.672	3.158	0	20	KGAD	
CCCCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC(C)C)cc2C1=O	514378989	KMKIVNWHIRBBBT-UHFFFAOYSA-N	529.615	3.143	0	20	KGAD	
C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Oc2ccccc2)C1=O	514381553	JAEVVWKGEDKWDI-SANMLTNESA-N	526.615	3.313	0	20	KGAD	
COC(=O)CCCCCn1c(SCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O	514386438	PGRRVRDTHUUNQI-UHFFFAOYSA-N	540.642	3.328	0	20	KGAD	
O=C(Cn1ccncc1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1sc3ccccc3c1Cl)CC2	1824533610	HPHULXLQPRDECS-GFCCVEGCSA-N	500.005	3.494	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCC)c(O)nc1=O	514296884	RKXPZJKPMUAHBD-UHFFFAOYSA-N	655.778	3.261	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccc(OC)c3)N3CCCC3)CC2)cc1	514297329	UYSOPDDAGBZMHH-AREMUKBSSA-N	543.686	3.226	0	20	KGAD	
CCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)nc2cc(S(N)(=O)=O)ccc21	514381366	BVUJZKLEEHDLDZ-UHFFFAOYSA-N	565.743	3.308	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)NCCc1ccc(OC)c(OC)c1)c1c(O)nc(=O)n(CCCC)c1N	514402768	MYQIDJKZFPGYFM-UHFFFAOYSA-N	531.654	3.011	0	20	KGAD	
N=c1nc[nH]n2c([C@]3(O)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cnc12	725327075	YCVPCXZMCKZEQL-JBGDWIKQSA-N	553.619	3.468	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C	514292650	PBAHGGFOUBUIBQ-UHFFFAOYSA-N	567.089	3.391	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514293673	VFQPYDLXKCULGX-QFIPXVFZSA-N	552.596	3.072	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1c(O)nc(=O)n(CCCC)c1N	514296909	SELQKSCKTZYBDK-RTBURBONSA-N	533.695	3.445	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)nnc1-c1ccco1	514375319	NRFRZZLOWKKMDK-UHFFFAOYSA-N	505.622	3.472	0	20	KGAD	
COCCCN(C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377740	HKGTULAYOSJGFA-UHFFFAOYSA-N	624.547	3.357	0	20	KGAD	
CCCCCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)CC2)s1	514379690	WVUTUFKMIKKWLZ-UHFFFAOYSA-N	558.704	3.253	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)CC2)cc1C	514382003	DEERLNNQFJQRSI-UHFFFAOYSA-N	526.703	3.104	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)c(C)c1	514378696	HTWRJMVJBHKHSI-UHFFFAOYSA-N	505.662	3.127	0	20	KGAD	
COc1ccc(CCn2c(SCCC(=O)NC(N)=O)nc3sc4c(c3c2=O)CCCC4)cc1OC	514391341	HIAJCDPIXDDFEN-UHFFFAOYSA-N	516.645	3.274	0	20	KGAD	
CCCCn1c(S[C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291323	FAKHSGMKFHQCLD-LJQANCHMSA-N	566.746	3.140	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)n1-c1ccc(OC)cc1)N(C)C	514292033	JZFDZDUOFNUXDM-FPOVZHCZSA-N	523.725	3.052	0	20	KGAD	
C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc3c(c2)OCO3)C1	514374989	JEVOLTHXISVAPD-SFTDATJTSA-N	613.762	3.340	0	20	KGAD	
CCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1	514380253	KMMCHPANEIHASM-UHFFFAOYSA-N	501.527	3.262	0	20	KGAD	
COc1ccc(-n2c(C)nnc2SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1	514388471	UXBVIPAUUGFCJB-UHFFFAOYSA-N	527.672	3.440	0	20	KGAD	
Cc1c(NC(=O)[C@H](C)SCC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C	514390454	KJGOWIILFUHILS-SFTDATJTSA-N	535.670	3.422	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2nc(O)nc(C)c2C(=O)OC)c1	514401263	QXVHMTYGHMTFNU-LBPRGKRZSA-N	517.029	3.080	0	20	KGAD	
CCCn1c(=O)n(C)c(=O)c2c(SCc3nc(=O)c4c(C)c(C(C)=O)sc4[nH]3)nc(C(C)C)nc21	514291927	KKNCGORMVDBWRQ-UHFFFAOYSA-N	514.633	3.125	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)c(C(=O)OC)c1C	514297965	YGOWTCOYKLZAIB-UHFFFAOYSA-N	574.624	3.290	0	20	KGAD	
CCN(CC)C(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1	514298648	DQBXFICFTGGFLY-UHFFFAOYSA-N	503.621	3.225	0	20	KGAD	
O=C(Cc1ccc(OC(F)F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514300847	SIEDCWOVRAONTD-UHFFFAOYSA-N	509.575	3.480	0	20	KGAD	
O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	514301872	FRGPCJWECUFOCG-UHFFFAOYSA-N	509.628	3.254	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C)CC2)c(C(=O)OC)c1C	514377484	XYDYSZLZTDCGSK-UHFFFAOYSA-N	508.618	3.286	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514378664	UVYSVNZJEWCVCL-GBXCKJPGSA-N	603.616	3.317	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1cc2c(s1)CCCCC2	514380454	NKYIBEZTUYUGAI-UHFFFAOYSA-N	505.662	3.127	0	20	KGAD	
O=C(CSCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514389975	UFVCCMSMBNZIDS-UHFFFAOYSA-N	501.630	3.219	0	20	KGAD	
O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	514394232	KBNSJWRTTDZLES-UHFFFAOYSA-N	545.459	3.313	0	20	KGAD	
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)C1	514395168	DQUFGJKQASSFIG-WMZOPIPTSA-N	524.665	3.049	0	20	KGAD	
CCCCn1c(SCc2cc(=O)n3ccc(C)cc3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291600	HICHWEKOTCGHNW-UHFFFAOYSA-N	527.672	3.466	0	20	KGAD	
O=C(CSc1nc(C2CC2)nc2c1c(O)nc(=O)n2C1CC1)N1CCN(c2cccc(Cl)c2)CC1	514301920	HNKLTJCIWJUIOO-UHFFFAOYSA-N	513.023	3.199	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c(C(=O)OC)c1C	514302973	HPWMVIFJIDISAX-UHFFFAOYSA-N	529.036	3.000	0	20	KGAD	
CC(C)CN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377684	DXYCSZFJQUVUOH-UHFFFAOYSA-N	559.714	3.047	0	20	KGAD	
C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	514387635	GVKXSZRZZGLKHI-QGZVFWFLSA-N	565.121	3.186	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC)cc2)c(C(=O)OC)c1C	514388863	UGFXDHITNLVODJ-OAHLLOKOSA-N	546.714	3.390	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1	514393360	XWASQDFAGGEOOU-HXUWFJFHSA-N	519.689	3.141	0	20	KGAD	
CC(C)[C@H](C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514291493	GSJNIUAAIMBZNQ-SFHVURJKSA-N	521.709	3.334	0	20	KGAD	
C[C@H]1CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2[C@@H](C)c2ccccc2)C[C@@H](C)O1	514291988	KWHICGIQEYBYGB-BDTNDASRSA-N	585.752	3.303	0	20	KGAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(CCCC)[C@@H]3CCS(=O)(=O)C3)nnc12	514294061	YVWJCKRFOCKDHG-GOSISDBHSA-N	519.693	3.142	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)c2c[nH]c3ccccc23)cc1	514303767	YXNMIUALCPWHEI-XMSQKQJNSA-N	553.710	3.323	0	20	KGAD	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1cccc(CNS(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)c1)C(=O)C2	514382667	VASCXVQIADONOF-TVCBXBRYSA-N	564.770	3.316	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1	514382801	VZQYRVWMENMZDP-UHFFFAOYSA-N	535.688	3.299	0	20	KGAD	
CCCCCN(C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1c(O)nc(=O)n(CCCC)c1N	514384771	WONSODPRNNXNCF-UHFFFAOYSA-N	555.648	3.234	0	20	KGAD	
COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)N1CCCC[C@H]1C(N)=O	514391141	HPHMDRQURNFMAR-NRFANRHFSA-N	509.632	3.129	0	20	KGAD	
CCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nnc1[C@H](CC)N(C)C	514294378	YDDAASKJWCGIPG-FQEVSTJZSA-N	559.158	3.496	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c(O)nc1=O	514296396	PDDGBZAQWDPXPI-UHFFFAOYSA-N	564.359	3.121	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1	514298204	ZZWJJGWXHBCPSW-SFTDATJTSA-N	529.615	3.399	0	20	KGAD	
COc1ccc(CCNc2nnc(SCC(=O)N3CCN(C(=O)c4cccs4)CC3)s2)cc1OC	514382933	BZIKQAQEPZYQDT-UHFFFAOYSA-N	533.701	3.348	0	20	KGAD	
Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCc1nc(O)c2cc(Br)cc(Br)c2n1	514388940	VWUJDBKTJBXAMK-SECBINFHSA-N	563.297	3.258	0	20	KGAD	
Cc1cc(C)c2c(NC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)c(C(=O)N3CCOCC3)sc2n1	514389758	LYDDKOJWLZHVCO-RXAIFQJESA-N	541.674	3.461	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)C1	514390355	HDBJMBBCXVKYLP-FQEVSTJZSA-N	568.718	3.293	0	20	KGAD	
CC(=O)CCc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(CCc3ccc(OC(F)F)cc3)C2=O)cc1	514401493	WTWWBOTULXHHSH-FQRUVTKNSA-N	504.530	3.493	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293203	SGVUMEZDJRJRJZ-MHZLTWQESA-N	642.775	3.496	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(Cc2ccc(Br)s2)CC1	514298646	DPLXSNAKMGGNBP-UHFFFAOYSA-N	512.495	3.256	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1S(=O)(=O)N(C)C	514385764	UCUZFJUQXLNZPZ-QGZVFWFLSA-N	509.650	3.009	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	514385799	VDHASBWNKSFHQN-OAQYLSRUSA-N	586.805	3.003	0	20	KGAD	
O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	514389403	FVHJCHGJMUYBHH-QFIPXVFZSA-N	542.639	3.438	0	20	KGAD	
CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	15089747	WCAGIRJDRUZURJ-MRXNPFEDSA-N	506.625	3.186	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514296669	OLSZOWFDOSLUAI-NAKRPHOHSA-N	588.727	3.366	0	20	KGAD	
Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)c1	514374947	INYHSEWJPJCENF-SFHVURJKSA-N	532.644	3.406	0	20	KGAD	
CCCCN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C)c1c(O)nc(=O)n(CCCC)c1N	514379414	SFYCJZQGXWSZOT-UHFFFAOYSA-N	507.657	3.163	0	20	KGAD	
O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514383157	GXXUQZOEPPYIOZ-UHFFFAOYSA-N	505.647	3.093	0	20	KGAD	
Cc1cccc(-c2nnc(SCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)n2Cc2ccco2)c1	514384424	PUNAZUCIPFQPFR-LEWJYISDSA-N	530.672	3.182	0	20	KGAD	
CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1	514390347	GXHMYXLVCQMVJZ-SFHVURJKSA-N	510.060	3.126	0	20	KGAD	
Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4ccc(F)cc4)n3CCN3CCOCC3)CC2)c1	514392644	ZQEZBQCJWSDABQ-UHFFFAOYSA-N	524.666	3.166	0	20	KGAD	
COCCn1c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)nc2sc3c(c2c1=O)CCCC3	514393959	CWDAGSPOCBIYKO-OAHLLOKOSA-N	580.754	3.361	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2C)c1	514291092	BUUAZYPHLBPZEH-UHFFFAOYSA-N	511.666	3.317	0	20	KGAD	
Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)o2)c1	514405349	SVRYQSAEECJKFV-UHFFFAOYSA-N	573.697	3.309	0	20	KGAD	
CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291020	CEEVXOXKQUECJH-UHFFFAOYSA-N	509.053	3.139	0	20	KGAD	
COc1cc(CN(C)C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)ccc1OC(F)F	514293160	QNQPVWSFTHLTEM-INIZCTEOSA-N	506.568	3.494	0	20	KGAD	
COCCN(C(=O)CCC(=O)N(Cc1cccs1)Cc1ccccc1OC)c1c(O)nc(=O)n(CC(C)C)c1N	514293608	SZHMEZSTVZEZHV-UHFFFAOYSA-N	571.700	3.246	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C	514296870	OYGGVLIMPHOSLT-UHFFFAOYSA-N	513.538	3.136	0	20	KGAD	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nnc(O)n1C[C@@H]1CCCO1)CC2	514377022	WNABQUIJPWWZDD-YADARESESA-N	510.616	3.446	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCCc1c[nH]c2ccccc12	514380993	UZRMZUVMLOIGBL-UHFFFAOYSA-N	546.715	3.150	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2	514381122	YMZQZDFNOQSMDG-UHFFFAOYSA-N	554.463	3.122	0	20	KGAD	
CCCn1c(=O)nc(O)c2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCOC	514381895	WQNFHVOEZAAVJI-UHFFFAOYSA-N	502.163	3.253	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2cccnc2)n1C1CC1	514386712	ZJDRMXDISGENOG-UHFFFAOYSA-N	558.686	3.214	0	20	KGAD	
CC(=O)c1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1	514386868	GUDWNNTXVWLJSK-JOCHJYFZSA-N	500.596	3.151	0	20	KGAD	
COc1ccc(C(=O)N2CCC(C(=O)N3CCCN(S(=O)(=O)c4c(C)noc4C)CC3)CC2)c2ccccc12	514390238	CMYVCUOCCZMWCN-UHFFFAOYSA-N	554.669	3.229	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nnc2n(-c3cc(C)ccc3OC)c(=O)c3ccccc3n12)[C@@H]1CCS(=O)(=O)C1	514395938	XKCRBHFHVZIIIM-RTBURBONSA-N	569.709	3.257	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1	514297567	UXJZNCLGHMIXOE-WOJBJXKFSA-N	565.714	3.310	0	20	KGAD	
CCOC(=O)CSc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)s1	514377811	KLQTWCLMPVDIQV-OKILXGFUSA-N	528.678	3.121	0	20	KGAD	
CC(C)C[C@@H](NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCCOCCN	2332239627	IMJARMFRGASVMW-SXLOSVNLSA-N	660.812	3.136	0	20	KGAD	
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@@H](CCSC)C2=O)cc1OC	514376157	CXUFLJJYSAHUOS-DOTOQJQBSA-N	502.618	3.117	0	20	KGAD	
C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)N[C@@H]1CCS(=O)(=O)C1	514387989	LCGXBOIAODJHBF-UONOGXRCSA-N	521.661	3.249	0	20	KGAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)N2CCCC2)cc1	514401508	XIIFRTUYYDMQDZ-QHCPKHFHSA-N	507.603	3.327	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514403094	HWOKWBUIIOOWOK-UHFFFAOYSA-N	568.744	3.192	0	20	KGAD	
CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2scc(-c3cccs3)c2c1=O	514403693	YWSAZULDYNKRSR-HOTGVXAUSA-N	553.753	3.493	0	20	KGAD	
CCCCn1c(CCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514292713	PHGNWABNWNGMNY-MHZLTWQESA-N	571.744	3.218	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)C[C@@H](C)O1	514294810	CCBZTMNZLBEXOM-QZTJIDSGSA-N	556.106	3.177	0	20	KGAD	
CCCCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1c(O)nc(=O)n(CCC)c1N	514379077	OKJGOAQPUVLUDO-QZTJIDSGSA-N	519.668	3.055	0	20	KGAD	
COC(=O)CCn1c(S[C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)nc2ccccc2c1=O	514395357	IWDDNJIUJBUEJC-IBGZPJMESA-N	508.644	3.221	0	20	KGAD	
COc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1S(=O)(=O)NC1CCCC1	514302375	DKZHFLUCCAADFV-LJQANCHMSA-N	501.653	3.254	0	20	KGAD	
Cc1cccc(-n2c(SCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)nc3sc(C)c(C)c3c2=O)c1C	514386453	PWRSSFPEBCWYSV-FQEVSTJZSA-N	560.767	3.104	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c(O)nc1=O	514393642	IDBSGZCNAVKPOD-UHFFFAOYSA-N	521.018	3.351	0	20	KGAD	
Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4ccc(Cl)cc4nn2)CC3)s1	1815575244	LTDLCXBTUHMGHS-CYBMUJFWSA-N	500.009	3.368	0	20	KGAD	
CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(OC)cc1)N(C)C	514374906	HREIWCGXPCGXGK-YADARESESA-N	588.756	3.429	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc2OC)cc1Br	514380544	MTPUEFWYXTVRIF-UHFFFAOYSA-N	595.472	3.460	0	20	KGAD	
Cn1c(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)nnc1[C@H]1COc2ccccc2O1	514386023	ZJNAZJITYRYRQL-OAQYLSRUSA-N	576.601	3.221	0	20	KGAD	
CSCC[C@H](C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	514388688	WPAVHNITFZQPIG-JENIJYKNSA-N	562.541	3.123	0	20	KGAD	
Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCN([C@@H](C)C(=O)NC6CC6)CC5)C4=O)cc3)sc2c1	514391395	IVUDYOZAHVYHES-MBSDFSHPSA-N	517.655	3.188	0	20	KGAD	
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc(O)c2c1C	514403103	IITGQFZZIABUAN-HNNXBMFYSA-N	522.674	3.295	0	20	KGAD	
COc1ccc(OC)c(-c2csc(NC(=O)CSc3nnc(N4CCOCC4)n3C3CC3)n2)c1	514404349	DMGWQBCDKNGNAL-UHFFFAOYSA-N	502.622	3.321	0	20	KGAD	
Cc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1	2048541434	HVVHIBHBDCYLDI-HNNXBMFYSA-N	532.630	3.211	0	20	KGAD	
C[C@H](C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O)N(C)C(=O)OC(C)(C)C	2382215751	OTIUWLQNRLSWTJ-HOTKZRPMSA-N	556.704	3.294	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1	514296846	QUCUPGDFKFQAHZ-FQEVSTJZSA-N	579.741	3.157	0	20	KGAD	
C[C@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514374471	CVWOWIZBULFBFF-AWEZNQCLSA-N	504.659	3.320	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)NCCC(=O)OC)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1	514385978	YNCUPPNUEODCFI-UHFFFAOYSA-N	530.603	3.130	0	20	KGAD	
C[C@H]1CCc2c(C(=O)N3CCN(S(=O)(=O)c4cc5c(cc4Cl)NC(=O)CO5)CC3)csc2C1	514404506	FZFKZYFIGXCMGA-ZDUSSCGKSA-N	510.037	3.004	0	20	KGAD	
N[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3snnc3c1)CC2)c1cccc(Cl)c1	1815047372	FUHVPRKGMQFFOH-CXAGYDPISA-N	500.009	3.122	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(O)nc1=O	514297692	ZFUYWEGIVJEOKL-UHFFFAOYSA-N	571.700	3.484	0	20	KGAD	
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514297718	WWBZXSGKKSBMKP-UHFFFAOYSA-N	590.768	3.054	0	20	KGAD	
O=C(Nc1ccccc1I)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514377703	FVWXRBNTZGACTE-UHFFFAOYSA-N	542.395	3.492	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1	514378311	FFGDUEUQLUOWKK-UHFFFAOYSA-N	536.097	3.234	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	514378821	IIBHYLFYZHGLHZ-FQEVSTJZSA-N	521.705	3.312	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)CC2)cc1C	514382298	IHYXVJFJCQPUFK-UHFFFAOYSA-N	507.678	3.420	0	20	KGAD	
CCn1c(CCC(=O)Nc2nc3cc4c(cc3s2)OCCCO4)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514402090	FHLDAOAPMNLQIC-UHFFFAOYSA-N	571.681	3.419	0	20	KGAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)N2CCCCC2)cc1	514405259	UQBVTKVYOCRKMA-VWLOTQADSA-N	545.702	3.457	0	20	KGAD	
CCCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)c1c(O)nc(=O)n(CC(C)C)c1N	514302702	QODPLIIBUWDQAP-UHFFFAOYSA-N	514.652	3.440	0	20	KGAD	
COc1ccc([C@H](CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)NC(C)=O)cc1	514383155	CSSGBLBIWMEIBE-FQEVSTJZSA-N	558.882	3.212	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1	514385069	ZDQUADSRIORBPK-WNCULLNHSA-N	510.635	3.062	0	20	KGAD	
O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CC2)c1cnc(Cl)s1	1820788598	WMGCLDMZVAUWIT-TUMIKQJQSA-N	500.005	3.389	0	20	KGAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)[C@@H]1CCS(=O)(=O)C1	514294007	YOKGQJLFBCWIND-QZTJIDSGSA-N	553.772	3.424	0	20	KGAD	
CCCOc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1	514294318	WGFNVDSGTBPVDX-UHFFFAOYSA-N	503.621	3.114	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514296413	KVNNCMMVPBVKQI-UHFFFAOYSA-N	612.753	3.254	0	20	KGAD	
COc1cc(-c2nnc(SCCn3cnc4c3c(=O)n(C)c(=O)n4C)n2C2CCCCC2)cc(OC)c1OC	514298281	ZBTLBVZEXSHJQF-UHFFFAOYSA-N	555.661	3.016	0	20	KGAD	
CC(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	514301229	WTRGYYLFGUXQIU-UHFFFAOYSA-N	537.067	3.191	0	20	KGAD	
Cc1ccc(-n2nnnc2SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c(C)c1	514404835	OFTRIVAOYHZXRW-UHFFFAOYSA-N	512.661	3.135	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nc4cc(Br)cnc4[nH]3)cc2)C[C@H](C)O1	514293279	TWQPXMVDJKDTAW-STQMWFEESA-N	540.465	3.249	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299873	JQPNBGSIGNKQLA-MOPGFXCFSA-N	559.735	3.223	0	20	KGAD	
CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)sc2c1CCS(=O)(=O)C2	514393351	XRSINAZAMQYZHF-HZPDHXFCSA-N	554.712	3.315	0	20	KGAD	
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)C1	514292410	LWHGGSZSYZONRH-WOJBJXKFSA-N	559.714	3.204	0	20	KGAD	
CCCCn1c(CCC(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21	514301618	AXSZICDCLWHEJC-BGYRXZFFSA-N	521.728	3.023	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1SCC(=O)N1CCCC1	514376987	JQACEUVJECNAHS-UHFFFAOYSA-N	533.672	3.073	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)cc1	514378601	IGAGDPUNCPPYLP-HSZRJFAPSA-N	528.627	3.399	0	20	KGAD	
Cc1ccc(-n2c(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)nnc2N2CCCCC2)cc1	514386603	UXFXKFCWNKMGCX-OAQYLSRUSA-N	505.710	3.330	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1sc(C(=O)OC)c(CC(=O)OC)c1C(=O)OCC	514387518	IRMWRGQSRTUJTO-UHFFFAOYSA-N	587.573	3.133	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)CC2)cc1	514391567	LJMVJYOOHDABCY-UHFFFAOYSA-N	513.704	3.283	0	20	KGAD	
O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514400941	FZXFYKKPOUUOFY-UHFFFAOYSA-N	563.938	3.239	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)ccc1C	514403528	LZRGZDWCUFDPFI-OAQYLSRUSA-N	514.692	3.381	0	20	KGAD	
O=C1CCc2cc(=C(O)/C(=C(/S)NCc3cccc(C(F)(F)F)c3)[n+]3cccc(O)c3)ccc2=N1	726571263	WAYYJZTUDIEMDO-UHFFFAOYSA-O	500.522	3.003	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nc(CN3CCCCC3)cs2)c(O)nc1=O	514292953	OTBPDASNZQFZBS-UHFFFAOYSA-N	533.699	3.182	0	20	KGAD	
CCCCN(C(=O)CSc1nnc2n(CCCC)c(=O)c3ccccc3n12)c1c(O)nc(=O)n(CCC)c1N	514293101	RRRQBHFTONEZCB-UHFFFAOYSA-N	554.677	3.024	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	514376848	ITDHGLBYCVYPEH-HOTGVXAUSA-N	527.565	3.393	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)s2)c(C)c1	514377881	MPAIAPBTBINUMJ-HZPDHXFCSA-N	501.634	3.390	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	514296466	QHWRUNDRFYHSSN-UHFFFAOYSA-N	653.390	3.285	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NCCc2ccc(OCC)c(OCC)c2)c(O)nc1=O	514377751	HYTNSKLHCXKAFU-UHFFFAOYSA-N	545.681	3.257	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(C(=O)OCC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379054	MPIBWXJAWHRZHW-UHFFFAOYSA-N	528.631	3.215	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c(O)nc1=O	514379802	ZIBMUEPYAMQFEC-UHFFFAOYSA-N	599.710	3.416	0	20	KGAD	
COC(=O)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)c1ccc(OC)c(OC)c1	514389948	SIZPEOKLYIDEKA-WFXMLNOXSA-N	548.658	3.413	0	20	KGAD	
Cc1cc(=O)c(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)nn1-c1cccc(C(F)(F)F)c1	514403556	MWUGIRBHASMCPR-UHFFFAOYSA-N	543.546	3.485	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OCC(F)(F)F)CC2)c(C)c1	514296093	LYEYPXUMXAHCNB-UHFFFAOYSA-N	619.684	3.305	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)CC1	514302986	HZXCINBRADLEJW-UHFFFAOYSA-N	517.556	3.092	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1	514386161	GGXYVTIIIMFEOX-GOSISDBHSA-N	556.131	3.472	0	20	KGAD	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)n2Cc2ccco2)C1	514394563	YQLIJJSWVPPDRG-BBWFWOEESA-N	518.665	3.168	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCC1(c2ccccc2)CC1	514395968	YELXVYUAEKSHBU-UHFFFAOYSA-N	533.716	3.158	0	20	KGAD	
CCn1c(SC[C@@H](O)COc2ccc(CCC(C)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401129	NAWRIVHXIAIPJI-NRFANRHFSA-N	547.699	3.131	0	20	KGAD	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)n2)cc1	514404435	HHFWDCNUYHHXEK-UHFFFAOYSA-N	548.712	3.142	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514291243	CFEQZXMTKZGNTR-UHFFFAOYSA-N	626.075	3.428	0	20	KGAD	
C[C@H]1CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2[C@H](C)c2ccccc2)C[C@@H](C)O1	514291990	KWHICGIQEYBYGB-BHIFYINESA-N	585.752	3.303	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)c(O)nc1=O	514294717	AVDICILUEJYTDC-ICSRJNTNSA-N	563.721	3.500	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514303491	WAYKTRYDNQBTOD-UHFFFAOYSA-N	598.040	3.432	0	20	KGAD	
O=C(CCc1nc2ccccc2s1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514376698	FLGBNQZUJAUMBP-UHFFFAOYSA-N	500.646	3.489	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)C[C@@H](C)O1	514379124	MLOFNSMHXJPNPS-ZEZSNWMHSA-N	533.647	3.153	0	20	KGAD	
CCCCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc(C)c(C(=O)OCC)s1	514390876	ADVBRZFPIKUKOO-UHFFFAOYSA-N	509.650	3.486	0	20	KGAD	
O=C(CSc1ncccn1)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c(Cl)cccc34)sc2C1	1823917159	NZFJSAWGIFFJBL-NSHDSACASA-N	500.009	3.481	0	20	KGAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc2nc(C)sc2c1	514378901	YYAWUOOQLNJIBG-NRFANRHFSA-N	548.712	3.116	0	20	KGAD	
COc1ccc(NC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCC1	514380039	DEJHXDFIXLTSNE-UHFFFAOYSA-N	581.713	3.118	0	20	KGAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1	514382945	CILLAVZYPXNPJP-KRWDZBQOSA-N	526.706	3.062	0	20	KGAD	
CCOc1ccc(-n2c(S[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514388869	ULBLOFCCZHOANC-PXNSSMCTSA-N	530.672	3.468	0	20	KGAD	
CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	514394436	NITNMXSTMIHXRO-MHZLTWQESA-N	522.671	3.362	0	20	KGAD	
C[C@@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)n2Cc2ccco2)C1	514394564	YQLIJJSWVPPDRG-BRWVUGGUSA-N	518.665	3.168	0	20	KGAD	
CCCCn1c(S[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514395793	UGGVKLVOAPSHLQ-SFHVURJKSA-N	523.725	3.038	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)c(O)nc1=O	514403975	VJJZKNDIBYEJKG-UHFFFAOYSA-N	531.635	3.110	0	20	KGAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2)NC1CCCCC1	514291944	IUQKUYSXKOHICV-UHFFFAOYSA-N	599.735	3.284	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(S(=O)(=O)N(CC)CC)cc3)CC2)cc1	514378108	ROSYCITZPVIWMC-HXUWFJFHSA-N	579.741	3.172	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCN3CCN(C(C)=O)CC3)ccc2OC)cc1Br	514380477	LRORMNJIJQVXRM-UHFFFAOYSA-N	583.505	3.150	0	20	KGAD	
CCOc1ccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCCC1	514382076	FKTIHYDZBNNUDE-HXUWFJFHSA-N	573.734	3.438	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cccc(C(=O)N(C)C)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514394629	PTVVEECGAKOLNU-UHFFFAOYSA-N	541.674	3.130	0	20	KGAD	
CSCC[C@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	514402329	OHLVKPGNZSTLFH-MCEIDBOGSA-N	508.084	3.126	0	20	KGAD	
COCCn1c(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nnc1-c1ccncc1	514291820	IVQPFJOIQQVAEW-SFHVURJKSA-N	530.676	3.280	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1	514293918	UWWIDDXPZMZWIK-GOSISDBHSA-N	562.693	3.089	0	20	KGAD	
COCCN(C(=O)CCC(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1c(O)nc(=O)n(CC(C)C)c1N	514294157	WTAZLYUBKHVYIC-UHFFFAOYSA-N	528.635	3.017	0	20	KGAD	
COc1cc(C(=O)NCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccc1OC(F)F	514297390	SUHYEMSHLHTCPN-UHFFFAOYSA-N	522.858	3.442	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccn(C)c3)n2[C@@H](C)COC)c1	514374139	JQZKCULNSBVOPA-KRWDZBQOSA-N	505.666	3.497	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	514377466	WLJMCZTZBXFYOF-RTBURBONSA-N	553.703	3.166	0	20	KGAD	
O=C(CN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)CC1)Nc1ccccc1C(F)(F)F	514386039	ZRDQWASCWIIDEB-IBGZPJMESA-N	589.640	3.469	0	20	KGAD	
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1	514390598	QFSRULNWYOAFFB-UODIDJSMSA-N	501.631	3.183	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)CC2)c(C)c1	514377375	SQPAYGYOCYJCLJ-DEOSSOPVSA-N	503.640	3.033	0	20	KGAD	
CCn1c(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514380215	JNJMEXLKKATKIW-UHFFFAOYSA-N	647.017	3.188	0	20	KGAD	
C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1	514293592	VWTHZPZFQNHMAI-WMZHIEFXSA-N	559.714	3.394	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1	514293726	WYOMEJBWWJIYNP-UHFFFAOYSA-N	512.554	3.103	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)CC2)cc1	514294142	WQBYERCSIFPGML-RUZDIDTESA-N	543.686	3.226	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCCC)c(O)nc1=O	514296257	NNMMMXMPJDZGCZ-UHFFFAOYSA-N	613.741	3.490	0	20	KGAD	
CCCCn1c(CCC(=O)NCc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377227	OAQPCFWHJURBRF-UHFFFAOYSA-N	502.612	3.245	0	20	KGAD	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	514378237	CNKJZPHXPLUUAU-BGYRXZFFSA-N	515.632	3.128	0	20	KGAD	
Cc1ccc(C)c(-c2cc(NC(=O)CN3CCN(CC(=O)N4CCCC4)CC3)n(-c3ccccc3)n2)c1	514388104	UUIUZKLNUABDRE-UHFFFAOYSA-N	500.647	3.335	0	20	KGAD	
CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C)C(=O)Nc1ccc(I)cc1	514396009	ZDZSKSNVOOKZLS-LBPRGKRZSA-N	501.394	3.076	0	20	KGAD	
CNS(=O)(=O)c1cc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)ccc1C	514404802	NEWFXHYRVIBMDJ-FQEVSTJZSA-N	531.660	3.080	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C	514301014	VSNYCGPWZVEMJR-GOSISDBHSA-N	522.693	3.127	0	20	KGAD	
COc1ccc(N(CCC(=O)N2CCC(C(=O)N(C)C)CC2)S(=O)(=O)c2cccc(Cl)c2)cc1	514304384	SKHUOEMKYPBQBO-UHFFFAOYSA-N	508.040	3.261	0	20	KGAD	
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514379460	VFOBUZJAVHVTQG-UHFFFAOYSA-N	519.668	3.055	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514391386	IOHVOOLAZVPLTR-UHFFFAOYSA-N	553.685	3.321	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)sc2c1CC[C@H](C)C2	514394223	JVINDVDYMVFUJU-HRCADAONSA-N	549.719	3.357	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)CC2)cc1	514394340	ULFQNQRKROMTNY-UHFFFAOYSA-N	559.754	3.244	0	20	KGAD	
COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1	485387293	YFPGLCPANTWTCQ-UHFFFAOYSA-N	500.003	3.081	0	20	KGAD	
CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)c(C)c2)NC(=O)[C@@H](N)Cc2cnc[nH]2)CC1	514269813	SPHDWBPXAMFBHY-RRPNLBNLSA-N	559.711	3.254	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)c1	514392318	UUSIMOMUJQHMIG-UHFFFAOYSA-N	528.027	3.283	0	20	KGAD	
CCCNC(=O)CSc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)s1	514293749	WRSYZNVQCPGUHR-UHFFFAOYSA-N	559.761	3.070	0	20	KGAD	
CCCCN(C(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1c(O)nc(=O)n(CC(C)C)c1N	514296972	UUEPPYOQXUPWSA-CJAUYULYSA-N	517.627	3.050	0	20	KGAD	
CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1	514379531	CMRYMMPBSYOSPN-UHFFFAOYSA-N	522.645	3.079	0	20	KGAD	
CCN1CCC(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2-c2c(C)cccc2C)CC1	514385206	CNLOTEXFELFOEU-UHFFFAOYSA-N	556.758	3.494	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	514392575	YIPSKVHTYPEOQV-UHFFFAOYSA-N	533.716	3.072	0	20	KGAD	
C[C@@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccc(OC(F)F)cc1	514402063	LIEBQWUADANIBP-OAHLLOKOSA-N	509.531	3.248	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)CC2)cc1	514402323	ODUDWXQPNSSDDD-DEOSSOPVSA-N	506.068	3.239	0	20	KGAD	
CCCCn1c(SCC(=O)NCc2ccc(OC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514290935	BKPJUWZAQZNHGU-UHFFFAOYSA-N	532.688	3.274	0	20	KGAD	
COc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)cc(Br)c1O	514296311	HLRULOONTKYSPC-INIZCTEOSA-N	552.447	3.380	0	20	KGAD	
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1	514304746	YKIFHHQRADBEFJ-UHFFFAOYSA-N	515.604	3.033	0	20	KGAD	
COc1ccc(CCN2C[C@H](C(=O)Nc3cc(Br)ccc3N3CCOCC3)CC2=O)cc1OC	514383362	HATWCWOFUCNBRP-GOSISDBHSA-N	532.435	3.333	0	20	KGAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2c(C)nn(C)c2C)cc1	514391713	NITJDSBCWQTOLQ-UHFFFAOYSA-N	528.631	3.430	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(SCC(=O)NCc3ccc(OC(F)(F)F)cc3)n2c1	514395815	URRFKJVQHATSHE-UHFFFAOYSA-N	517.555	3.067	0	20	KGAD	
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1	514394588	OUOLVEJTTFJRFY-SSKFGXFMSA-N	532.615	3.460	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)c2c[nH]c3ccccc23)cc1	514395068	BRTLDTWQUVVZHZ-FYYLOGMGSA-N	562.696	3.405	0	20	KGAD	
Nc1c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)Cc2cccc(Cl)n2)CC3)sc2nccnc12	1815250816	WLJXZCXLAWMVPU-NSHDSACASA-N	500.009	3.247	0	20	KGAD	
CC(C)c1nc(N(C)S(C)(=O)=O)nc2c1C[C@H]([C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C)c1cc(F)ccc1-2	504202211	SWGDZRCYXHQLEL-PBEJRMEISA-N	537.654	3.285	0	20	KGAD	in-vitro
CC[C@H](c1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC)cc1)N(C)C	514291469	FLNQZMHQMDLZRG-HSZRJFAPSA-N	574.729	3.040	0	20	KGAD	
CCOC(=O)c1c(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CC(C)(C)NC2(C)C	514293656	UQLFVXJIOJCBMM-UHFFFAOYSA-N	579.741	3.295	0	20	KGAD	
O=C(CSc1ncnc2ccccc12)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1	514378495	GLFOVFCAEOLLQD-UHFFFAOYSA-N	624.608	3.318	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c(O)nc1=O	514378509	GPJGBMWNRAGADL-UHFFFAOYSA-N	559.714	3.343	0	20	KGAD	
CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1S(=O)(=O)N1CCCCC1	514402899	GYFYWOSWDDPBLD-UHFFFAOYSA-N	516.649	3.181	0	20	KGAD	
Cc1c(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc2nc3n(c(=O)c12)CCCCC3	514404346	CQHKLLAWSVJCPD-UHFFFAOYSA-N	518.636	3.169	0	20	KGAD	
COc1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1S(=O)(=O)N1CCOCC1	514299712	PBTUHMJJIGSYMX-WMHJFFNYSA-N	533.691	3.012	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514380497	OFMASGWNURHJHN-UHFFFAOYSA-N	575.009	3.275	0	20	KGAD	
COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)nc(=O)c12	514384822	YQHSOKPUGXBBNM-GFCCVEGCSA-N	561.667	3.278	0	20	KGAD	
COCCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nnc1-c1ccccc1Cl	514385891	YGJYDZGFZKQYSQ-UHFFFAOYSA-N	580.132	3.269	0	20	KGAD	
CCOCCCn1c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nc2cc(Cl)ccc2c1=O	514386062	BNAZPOSHDVSFGW-IBGZPJMESA-N	511.088	3.042	0	20	KGAD	
COc1cc(C=c2sc(=CC(=O)c3ccccc3C)n(CC(=O)N3CCCCCC3)c2=O)cc(OC)c1OC	514388850	TVRXWJRLPWTTOF-UHFFFAOYSA-N	550.677	3.139	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	514292101	KNRJYSLNKBPLOS-UHFFFAOYSA-N	508.040	3.463	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1	514378859	JEZOCDZVZXUPBM-JOCHJYFZSA-N	592.784	3.219	0	20	KGAD	
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	514378976	LBDZOKCPGCPWMN-QZTJIDSGSA-N	505.662	3.354	0	20	KGAD	
CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514381751	QLTLIETXFAVROR-KROKWJMESA-N	503.665	3.003	0	20	KGAD	
CN(C[C@H]1COc2ccccc2O1)C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1	514389805	NEGREYVHJJPOCK-SFHVURJKSA-N	514.522	3.284	0	20	KGAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1	514393849	NAQYQWMMSOXBAQ-MRXNPFEDSA-N	544.493	3.175	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1	514395187	FFKDCBGOHRDMJM-AZUAARDMSA-N	543.715	3.167	0	20	KGAD	
CCOC(=O)c1ccsc1NC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC	514402136	GHMGOWCOGRPRKD-UHFFFAOYSA-N	538.673	3.046	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(OC(F)F)c(OC)c2)c1	514402751	MFLUKZAKBUPSRX-UHFFFAOYSA-N	527.590	3.094	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)n2CC(C)C)c1	514291597	GUYSAJFJOZDYQJ-LJQANCHMSA-N	509.698	3.019	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccccc2OC)ccc1C	514293591	WCDDZHITLOCEAV-MRXNPFEDSA-N	504.638	3.129	0	20	KGAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl)C(=O)NC[C@@H]1CCCO1	514294323	WIRACXYAXDNZDO-ICSRJNTNSA-N	592.143	3.384	0	20	KGAD	
CCCCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1c(O)nc(=O)n(CC(C)C)c1N	514379776	YMGHBVUTALYOOM-UHFFFAOYSA-N	587.747	3.014	0	20	KGAD	
CCCCCn1c(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)nc2c1c(O)nc(=O)n2CCCC	514382871	BCXIOUZPTGFPEY-UHFFFAOYSA-N	521.615	3.403	0	20	KGAD	
CSc1nc2nc(C)c(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c(C)n2n1	514385219	DFQNJFFFNPKKDH-GJZGRUSLSA-N	502.666	3.311	0	20	KGAD	
COCCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1	514386147	FYBNUZAPDMGJBF-QFIPXVFZSA-N	514.673	3.305	0	20	KGAD	
Cc1cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c(C)n1C[C@H]1COc2ccccc2O1	514388272	MWRBSOKTUKMDIG-ROUUACIJSA-N	517.629	3.280	0	20	KGAD	
CC(C)(C)c1nnc2sc(SCC(=O)NC3(c4ccc5c(c4)OCCO5)CCCC3)nn2c1=O	514392550	XTRMENQHJBWPTE-UHFFFAOYSA-N	501.634	3.293	0	20	KGAD	
CCCc1noc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)n1	514405602	YHSLOCVFEPGNJC-UHFFFAOYSA-N	530.632	3.235	0	20	KGAD	
O=C(Cc1ccccc1Cl)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)nc3sccn13)CC2	1813852870	RKIUQZHZJBKKPG-CYBMUJFWSA-N	500.005	3.334	0	20	KGAD	
C[C@@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2cccc(Cl)c2)O[C@H]1n1ccc(O)nc1=O	2048529387	UVVIZWGSORZOAL-PDKZGUECSA-N	502.882	3.311	0	20	KGAD	
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1	514291712	FVMLNUJCJAAUTC-UHFFFAOYSA-N	522.693	3.210	0	20	KGAD	
O=C(CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299859	JNZHSZUHDIPDED-UXHICEINSA-N	592.537	3.435	0	20	KGAD	
COC[C@@H](C)n1c(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)nc2ccccc2c1=O	514302088	AXDXFYSCIYGJKZ-AEFFLSMTSA-N	503.646	3.357	0	20	KGAD	
O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1	514297194	SVYXQNPUVQYIEE-UHFFFAOYSA-N	533.956	3.337	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc2)cc1	514298801	GKEVCVKAGZSKEA-UHFFFAOYSA-N	513.660	3.133	0	20	KGAD	
CCCCCN(C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1nc(C)c(C(=O)OCC)s1	514392475	WQFXXSJWZNKIDJ-UHFFFAOYSA-N	524.665	3.431	0	20	KGAD	
O=C(Cn1ccncc1=O)N[C@H]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1	1818286283	FJMALVCLOFNEHP-LBPRGKRZSA-N	500.005	3.494	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	514291622	GVSCUQUFWWYYQV-AOYPEHQESA-N	527.712	3.257	0	20	KGAD	
O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514295763	KCJJSNAXVKTESM-GOSISDBHSA-N	512.495	3.302	0	20	KGAD	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1	514297350	SBXKNPYZFGTDJW-OAQYLSRUSA-N	566.474	3.112	0	20	KGAD	
CC[C@@H](C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514374639	FHQPIGJUHSZJMS-QGZVFWFLSA-N	507.682	3.088	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cc(Cl)ccc2N(C)C)c(O)nc1=O	514377937	PQDFYDSBSUFODA-UHFFFAOYSA-N	507.035	3.459	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)n2[C@@H](C)COC)c1	514382332	JPGSZMKUCVRFIK-SFHVURJKSA-N	624.811	3.178	0	20	KGAD	
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514297521	XRCYOTBCFYCPOC-UHFFFAOYSA-N	546.498	3.315	0	20	KGAD	
O=C(CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1)Nc1ccccc1Cl	514300678	PZXHZZXCUZUZNS-UHFFFAOYSA-N	559.132	3.402	0	20	KGAD	
CCN(C(=O)CSc1nnc(-c2cccc(OC)c2)n1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	514375345	ORSWEOVWHWHDNH-IBGZPJMESA-N	516.645	3.079	0	20	KGAD	
COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)N1CCCC1	514377645	CYLPDFWXRVPAJI-ROKPMTFOSA-N	501.649	3.060	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c(O)nc1=O	514384388	ORNZNVKVZBFJLY-UHFFFAOYSA-N	526.541	3.065	0	20	KGAD	
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	514385681	QTUILYRCIQBNKU-UHFFFAOYSA-N	540.042	3.215	0	20	KGAD	
C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1	514293590	VWTHZPZFQNHMAI-CVDCTZTESA-N	559.714	3.394	0	20	KGAD	
COc1ccc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1S(=O)(=O)N1CCOCC1	514300899	SDNMMNFGLIZOSN-UHFFFAOYSA-N	501.609	3.417	0	20	KGAD	
COc1cc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc(OC)c1Br	514302735	RMSMTPDSJCHVRT-UHFFFAOYSA-N	509.397	3.450	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1	514303774	ZAFPHIPNOLXMCI-OYRHEFFESA-N	558.701	3.052	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1-c1ccc(Cl)cc1)N(C)C	514375157	MCSVWPSRQFIKLP-GOSISDBHSA-N	549.122	3.169	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cnc3c(cnn3C(C)C)c2)c1	514391661	MTXROJWWWZPICB-UHFFFAOYSA-N	500.625	3.132	0	20	KGAD	
C[C@H](Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)C(=O)N(C)Cc1ccc(Br)cc1	514395783	SUVOYYYCRXEQRS-QFBILLFUSA-N	524.485	3.195	0	20	KGAD	
O=C(CSc1ncccn1)N[C@@H]1CCc2nc(NC(=O)c3cn4cc(Cl)ccc4n3)sc2C1	1818113665	QHFVOAYKPGWBRM-CYBMUJFWSA-N	500.009	3.252	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514292638	NINBLHKLCGWANE-UHFFFAOYSA-N	611.186	3.391	0	20	KGAD	
COc1cccc(-n2c(C)nnc2SCC(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)c1	514301325	ZXMQUDCIRLYURU-UHFFFAOYSA-N	505.648	3.285	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375608	SLMSEDGJHNIDPE-UHFFFAOYSA-N	655.224	3.155	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(C)n1Cc1ccccc1	514377014	WLBBKSQMLLPFGE-UHFFFAOYSA-N	558.730	3.233	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)sc(C(=O)Nc2ccc(C)cc2C)c1C	514381980	CIZHWJXKJCBQBW-VWLOTQADSA-N	544.655	3.468	0	20	KGAD	
C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(Cc2ccc(Br)s2)CC1	514382631	SVCJTPBEPHZYHB-LBPRGKRZSA-N	519.387	3.189	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)N(CCOC)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514386366	MFYKRPROZAGJJD-OAQYLSRUSA-N	560.698	3.096	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	514390054	WMUHGELHPZRFEX-UHFFFAOYSA-N	553.653	3.129	0	20	KGAD	
O=C(COc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514404039	WIJMZEIXVULEDD-UHFFFAOYSA-N	513.538	3.344	0	20	KGAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c12	514299695	OENXHRRBWXLBNS-IBGZPJMESA-N	520.615	3.027	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1	514374715	GNPOCURPUFLNNA-UHFFFAOYSA-N	544.703	3.378	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1c(O)nc(=O)n(CCCC)c1N	514378445	FRJWGHDODUZMAN-NHCUHLMSSA-N	620.773	3.071	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514381912	XFVOGERQNXMFRP-UHFFFAOYSA-N	635.809	3.468	0	20	KGAD	
C[C@H](NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(Cl)cc1	514382572	QFYLERUONHOTSQ-SFHVURJKSA-N	507.056	3.250	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(Br)cc2)c1	514292695	OTMZSJFAJSHEPB-UHFFFAOYSA-N	526.453	3.334	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1S(=O)(=O)N1CCCC1	514299733	PZFRBLMRXQNKAS-UHFFFAOYSA-N	561.726	3.398	0	20	KGAD	
COCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514304692	WMTGEXVLGHDHAB-UHFFFAOYSA-N	644.072	3.332	0	20	KGAD	
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1	514376533	CCOSMAHLRSAQDS-INIZCTEOSA-N	532.109	3.111	0	20	KGAD	
Cc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(CCC3CCCC3)n2)cc1S(=O)(=O)N1CCOCC1	514393822	LRXDOTCNVIUGBF-KRWDZBQOSA-N	507.682	3.376	0	20	KGAD	
C[C@@H]1Cc2cc(/C(O)=C(/C(=S)N[C@H]3C[C@H]4CC[C@H]3C4)[n+]3cccc(O)c3)ccc2N1S(C)(=O)=O	912842509	MADAOUUNYFXVOM-JJDSTIRJSA-O	500.666	3.380	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)N(CC)CC)ccc3N3CCOCC3)c(C)c2)CC1	514298589	BKCWGJGDHYQLFJ-UHFFFAOYSA-N	543.734	3.256	0	20	KGAD	
CN(CCOc1ccc(Br)cc1)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1	514403221	RKEWVNJYCRJKRA-KRWDZBQOSA-N	501.468	3.037	0	20	KGAD	
O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	514300481	WGGYWHHJTBILLJ-FQEVSTJZSA-N	516.060	3.131	0	20	KGAD	
O=C(C1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1)N1CCCC1	514383168	ZTMSOVXMDLDAPR-UHFFFAOYSA-N	502.464	3.255	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1	514386711	ZGIALCVGUNANLJ-UHFFFAOYSA-N	582.726	3.382	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@H]1CCN(C2CC2)C1	519920144	NLGPTESDFIIMOU-XJKSGUPXSA-N	500.008	3.112	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1	514299447	FRIVCNZYEWVUBN-UHFFFAOYSA-N	588.674	3.093	0	20	KGAD	
COc1cc(C)c(CN2CCN(C(=O)CSc3nnc(-c4ccccc4OC)n3C)CC2)cc1OC	514301318	YWSLSACMARJSLP-UHFFFAOYSA-N	511.648	3.253	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1cccc(C(=O)NCC)c1)c1c(O)nc(=O)n(CCCC)c1N	514304394	SQKOYYXBEOCXMP-UHFFFAOYSA-N	514.627	3.023	0	20	KGAD	
CCN(CC)C(=O)CSc1nnc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1-c1ccccc1	514374401	BISUMGGTWBZPKO-UHFFFAOYSA-N	529.688	3.224	0	20	KGAD	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nnc(O)n1C[C@H]1CCCO1)CC2	514377021	WNABQUIJPWWZDD-NTKDMRAZSA-N	510.616	3.446	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514378670	UVYSVNZJEWCVCL-YKSBVNFPSA-N	603.616	3.317	0	20	KGAD	
Cc1cccc(NC(=O)CN2CCN(C(=O)CCc3nc4cc(S(=O)(=O)N5CCCCC5)ccc4n3C)CC2)c1C	514385000	WNRROKYPEFOTSL-UHFFFAOYSA-N	580.755	3.080	0	20	KGAD	
CCOc1ccc(-n2c(S[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514388868	ULBLOFCCZHOANC-FXAWDEMLSA-N	530.672	3.468	0	20	KGAD	
O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1c(I)cc(I)cc1I	514403589	NYTJQUZOSVCWAT-UHFFFAOYSA-N	665.007	3.304	0	20	KGAD	
O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(OCC(F)(F)F)cc1	514404509	GERJDOJNSBTNNU-UHFFFAOYSA-N	527.521	3.027	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1	514301071	UGDDLYPEUJJULU-UHFFFAOYSA-N	580.501	3.360	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514375019	JYYNIHCFKIOAII-OALUTQOASA-N	531.704	3.369	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3cc(Cl)ccn13)CC2	1815627878	PCDXEIPBOPMRAW-ZDUSSCGKSA-N	500.009	3.252	0	20	KGAD	
O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)sc2C1)c1cnc(Cl)s1	1825600644	NDTZBAXFOIGNES-TUMIKQJQSA-N	500.005	3.389	0	20	KGAD	
O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1	514386357	LXKKWVGFMFBIJK-UHFFFAOYSA-N	513.067	3.257	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)N2CCOCC2)cc1OC	514395597	OGFMQBYSHJGGCS-NFBKMPQASA-N	596.544	3.057	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1	514404257	AGMIVBBDVRKFOP-INIZCTEOSA-N	546.509	3.025	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1	514404848	LCNBMHPZPMZKCA-UHFFFAOYSA-N	516.542	3.142	0	20	KGAD	
CCCCCN(C(=O)CSc1nnc(-c2ccccc2OC)n1C)c1c(O)nc(=O)n(CCCC)c1N	514293936	XTCQSQFZHLZGBT-UHFFFAOYSA-N	529.667	3.451	0	20	KGAD	
Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1I	514294820	BQHQNJSAOMGQNY-UHFFFAOYSA-N	514.385	3.192	0	20	KGAD	
CCOC(=O)CSc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)s1	514296771	QACBQKYUCCPCQM-HIFRSBDPSA-N	528.678	3.311	0	20	KGAD	
COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1	514298261	YJBAONJKOJMUDL-UHFFFAOYSA-N	548.971	3.271	0	20	KGAD	
CSC[C@H](C(=O)Nc1nc(-c2ccc(CCNC(C)=O)cc2)cs1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514301301	ZPLQNVMDJCPSIW-SVFBPWRDSA-N	514.673	3.334	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NCC2(N3CCCCC3)CCCCC2)c(O)nc1=O	514376478	BAJQUFSTHMCKKP-UHFFFAOYSA-N	532.730	3.405	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)c(C)c2)CC1	514378072	QOVBIRRJQIJBFP-OYRHEFFESA-N	500.665	3.187	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2	514388085	UMQMQKSGVBYMPM-HSZRJFAPSA-N	545.658	3.043	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(c3ccc(O)cc3)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514297378	SGSHCRHTLDQDFI-UHFFFAOYSA-N	525.675	3.218	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)O)cc1Br	514298284	ZEJBYSIPKUUVMG-INIZCTEOSA-N	500.367	3.238	0	20	KGAD	
O=C(CN1CCOCC1)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1	514394567	YRPIQBWBVKTTRS-UHFFFAOYSA-N	555.484	3.304	0	20	KGAD	
COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Sc1nc(C2CC2)nc2c1c(O)nc(=O)n2C1CC1	514396045	ZZZCZQNVPBWLGU-NSHDSACASA-N	510.576	3.191	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)o2)c1	514291848	JMCYVNYUKBVWGN-UHFFFAOYSA-N	534.660	3.235	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)c1c(O)nc(=O)n(CCCC)c1N	514296908	SELQKSCKTZYBDK-OALUTQOASA-N	533.695	3.445	0	20	KGAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C	514300356	PRVXPFMRYACYLO-UHFFFAOYSA-N	584.699	3.251	0	20	KGAD	
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC3(N(C)C)CCCCC3)cc2)cc1	514377423	UXHDNXCCOYRJHH-UHFFFAOYSA-N	516.664	3.230	0	20	KGAD	
CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1	514402651	QOTNQUDUEOYGJJ-HDICACEKSA-N	523.677	3.302	0	20	KGAD	
COCCN(C(=O)CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514405036	QSMUFQASVPKHGN-GOSISDBHSA-N	533.697	3.079	0	20	KGAD	
COCCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514376005	ZBBPKCSBLGNQKU-UHFFFAOYSA-N	609.149	3.137	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1	514377099	LNTPIBLQATWIGC-KRWDZBQOSA-N	519.620	3.125	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1cccc(S(=O)(=O)N2CCCCCC2)c1	514377716	GKHIEEPRSGCZKO-UHFFFAOYSA-N	605.657	3.466	0	20	KGAD	
CC(=O)c1cc2c(cc1NC(=O)C1CCN(S(=O)(=O)c3ccc(Br)s3)CC1)OCO2	514378626	GCUFSJDNHRWDGG-UHFFFAOYSA-N	515.407	3.481	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCC2)c1	514380009	GSYWWPMQFFEGGF-UHFFFAOYSA-N	520.677	3.005	0	20	KGAD	
COc1ccc(CCn2c(SC[C@H](O)CN3CCOCC3)nc3sc4c(c3c2=O)CCCC4)cc1OC	514380408	KEHXHVHGYYNOQT-LJQANCHMSA-N	545.727	3.382	0	20	KGAD	
CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C	514385678	QRPKNYPNXJQWSL-UHFFFAOYSA-N	555.447	3.477	0	20	KGAD	
CCOc1cc(-c2nnc(S[C@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)o2)cc(OCC)c1OCC	514389107	ZEFJPHYRFYARAG-NVXWUHKLSA-N	527.665	3.449	0	20	KGAD	
COc1ccc(NC(=O)CCSc2nnc(N(C(C)=O)C3CC3)s2)cc1S(=O)(=O)N1CCCCC1	514394622	PNJGHDDGKMIJDP-UHFFFAOYSA-N	539.705	3.358	0	20	KGAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2)C(=O)N1CCCCC1	514293938	VEIYVZBJFAPLJC-FQEVSTJZSA-N	599.735	3.236	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)CSc4ncnc5ccccc45)CC3)cc2)C[C@@H](C)O1	514295709	JRVRSWPYTBZGPM-BGYRXZFFSA-N	583.736	3.397	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	514376850	ITDHGLBYCVYPEH-IYBDPMFKSA-N	527.565	3.393	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c(O)nc1=O	514377671	DPYZYHCZEILAKY-UHFFFAOYSA-N	541.055	3.178	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1	514382008	DEYIQRJJORMOQG-UHFFFAOYSA-N	512.676	3.066	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)Cc2cc3c(cc2Br)OCCO3)c(O)nc1=O	514383575	LISOIUWSJCHPKN-UHFFFAOYSA-N	509.401	3.097	0	20	KGAD	
CC(C)Cn1c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3	514389115	ZHZKSGFKPXMRBR-XHSDSOJGSA-N	511.735	3.365	0	20	KGAD	
CCCCCN(C(=O)CSc1nc2ccsc2c(=O)n1CC)c1c(O)nc(=O)n(CCCC)c1N	514402295	NSDMCIBYXGEJAH-UHFFFAOYSA-N	520.681	3.438	0	20	KGAD	
O=C(CSc1ncccn1)N[C@@H]1CCc2nc(NC(=O)c3cn4c(Cl)cccc4n3)sc2C1	1818123312	OGDJWFHLYBGUFF-GFCCVEGCSA-N	500.009	3.252	0	20	KGAD	
Cn1c(CCC(=O)N2CCN(Cc3cccc4ccccc34)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514299121	AIXATNKQUDYCCN-UHFFFAOYSA-N	561.708	3.024	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)ccc1C	514300679	QBFQDZZOWDDOHE-UHFFFAOYSA-N	500.665	3.039	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)N(C)Cc2c(F)cccc2Cl)n1CCN1CCOCC1)N(C)C	514375173	MJYBVDHOJLLUQE-HXUWFJFHSA-N	513.083	3.166	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)c(C)c2)CC1	514378071	QOVBIRRJQIJBFP-NHCUHLMSSA-N	500.665	3.187	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CSc2nnc3nc(C)cc(C)n23)c1	514385849	WVAXEUMFMWJJNA-UHFFFAOYSA-N	506.654	3.290	0	20	KGAD	
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1	514394616	PILDVTDCEWUKTH-RTBURBONSA-N	545.658	3.237	0	20	KGAD	
COc1ccc(NC(=O)CSCCCN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N1CCCCC1	514389191	BQHMWJBETAMJGY-UHFFFAOYSA-N	531.656	3.228	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514393278	VFHOULJVLUVZKV-LAUBAEHRSA-N	521.661	3.344	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](c4nnc5n4CCCCC5)C3)CC2)cc1	514394585	OSCIBRZXUHVYEB-NRFANRHFSA-N	515.680	3.210	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1	514405273	VDDZYAFUVYQCAC-UHFFFAOYSA-N	535.666	3.356	0	20	KGAD	
NC(=O)c1nn(-c2ccc(C(=O)NCCCCCNCCNc3cccc4c3C(=O)N([C@H]3CCC(=O)NC3=O)C4=O)cc2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1	2048541385	AFCBPOSVCVAUDT-PMERELPUSA-N	898.860	3.251	0	20	KGAD	
C[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514292369	KOAVGZIDZYFYDO-FQEVSTJZSA-N	599.735	3.236	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)c1c(O)nc(=O)n(CCCC)c1N	514296260	NPXCZHKPVGXRHU-UHFFFAOYSA-N	620.773	3.457	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)N2CCCCC2)cc1	514303415	MNTQYVGOFCNZGN-RUZDIDTESA-N	543.686	3.211	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)CC1	514374667	DUIYCKBQFRWUNI-UHFFFAOYSA-N	515.617	3.339	0	20	KGAD	
COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)nc(=O)c12	514384823	YQHSOKPUGXBBNM-LBPRGKRZSA-N	561.667	3.278	0	20	KGAD	
CCCCn1c(SCC(=O)N(CCC(N)=O)Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514392059	SWXZPLVDNIPROE-UHFFFAOYSA-N	531.704	3.083	0	20	KGAD	
CCCN(CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)CC(=O)Nc1ccc(F)c(F)c1F	514298127	VIWXFZQLIYFCCP-UHFFFAOYSA-N	544.596	3.432	0	20	KGAD	
CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n3c(CN4CCN(C(=O)C5CC5)CC4)nnc23)cc1	514380745	OTBPPHABVRPHMF-UHFFFAOYSA-N	506.994	3.140	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)NC(=O)NCc2ccccc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514388609	QVKWRGQWAXFQEX-GOSISDBHSA-N	542.687	3.256	0	20	KGAD	
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	514299364	MPCRHKYVJPHQCY-UHFFFAOYSA-N	533.626	3.107	0	20	KGAD	
COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514300586	ZATPMZRAGISMGV-UHFFFAOYSA-N	515.632	3.090	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514300615	PTTKRGMMSFHRDC-UHFFFAOYSA-N	553.685	3.338	0	20	KGAD	
CCc1cc2c(=O)n(CCc3ccccc3)c(SCC(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)nc2s1	514377138	YLVHCCNGKIUUTI-GOSISDBHSA-N	519.714	3.391	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)NC(C)(C)C	514379049	MLQGEXXMJHIZTF-UHFFFAOYSA-N	509.650	3.199	0	20	KGAD	
CCCCCn1c(CCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nc2c1c(O)nc(=O)n2CCCC	514379424	UJPJZTWPQZOFBL-UHFFFAOYSA-N	592.694	3.020	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NCc1cc(OC)c(OC)c(OC)c1)n2CC(C)C	514384601	WDFWHIRONKUEAR-UHFFFAOYSA-N	515.611	3.030	0	20	KGAD	
O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccc1CN1CCCCC1	514387014	CLESEUCZEMMHGN-UHFFFAOYSA-N	526.659	3.071	0	20	KGAD	
CCOC(=O)c1c(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)sc2c1CCS(=O)(=O)C2	514392450	WBSCHBLJJVXGOU-UHFFFAOYSA-N	535.669	3.454	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cccc(Cl)c2)c(C(=O)OC)c1C	514296459	MBSYYUOZUVXNTF-CQSZACIVSA-N	535.065	3.322	0	20	KGAD	
O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	514301364	YETVYHDOKAOWIV-HXUWFJFHSA-N	519.092	3.161	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1	514386626	WBXBBQKXMSORBE-UHFFFAOYSA-N	558.686	3.214	0	20	KGAD	
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1nc2sc3c(c2c(=O)n1CCCN(C)C)CCCC3	514389171	BAAHDZOXODYZRA-INIZCTEOSA-N	575.782	3.006	0	20	KGAD	
CCOCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nc2cc(Cl)ccc2c1=O	514401635	ARWYEJIHJFBQQK-UHFFFAOYSA-N	611.142	3.237	0	20	KGAD	
CCc1cccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)c1	514404431	HDOVKQZWYBQXHW-INIZCTEOSA-N	528.674	3.231	0	20	KGAD	
O=C(NC[C@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@H]1c1cccnc1)c1ccc(Cl)s1	1805527333	REXCNQMKXJYWBA-KUHUBIRLSA-N	500.005	3.499	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)ccc1OC	514297731	WZDJFIPCUWZLOD-UHFFFAOYSA-N	608.964	3.288	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)NCCc1c[nH]c2ccccc12)c1c(O)nc(=O)n(CCCC)c1N	514376379	JSOSUKSWPWFDKX-UHFFFAOYSA-N	510.639	3.475	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1cc(Br)ccc1OC	514381147	ZFSYTBQAGRZQIE-INIZCTEOSA-N	514.394	3.326	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)o1	514384452	SDTLTVXJNNYLDN-NRFANRHFSA-N	546.627	3.496	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2cccc(N3CCCC3=O)c2)CC1	514385554	MEISJEHGCIJUFQ-UHFFFAOYSA-N	527.691	3.238	0	20	KGAD	
COc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514394380	LRYTYRWAOWTODO-FXAWDEMLSA-N	503.621	3.180	0	20	KGAD	
CCCCn1c(SCC(=O)Nc2ccc(S(C)(=O)=O)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514402806	DYZFDKVFRNTBSR-UHFFFAOYSA-N	524.690	3.221	0	20	KGAD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514404379	FJQMNRQUGNYBSX-UHFFFAOYSA-N	513.620	3.252	0	20	KGAD	
CC(C)n1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc2c1=O	514291541	GVCLVOVBJPVZIP-QGZVFWFLSA-N	516.645	3.118	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1CCN1CCOCC1)N(C)C	514293802	SZLOZVWQPOMLGT-FQEVSTJZSA-N	605.131	3.131	0	20	KGAD	
COc1cc(CN(C)C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)ccc1OC(F)F	514297875	VZHCQKDNUFTFGC-UHFFFAOYSA-N	553.628	3.185	0	20	KGAD	
COc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514301140	XCDCPCIXYQLKIJ-OYRHEFFESA-N	515.676	3.124	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccco3)cc2)C[C@H](C)O1	514376248	DZELOLWRIOCKRS-IRXDYDNUSA-N	531.660	3.326	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)C[C@H](C)O1	514378550	HHQWSORJHHVRFZ-OALUTQOASA-N	517.673	3.451	0	20	KGAD	
CC[C@H](C)n1c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc2sc3c(c2c1=O)CCCCC3	514385729	SIPIMBIXJBYSBI-ZWKOTPCHSA-N	552.788	3.121	0	20	KGAD	
CCn1c(SC[C@H](O)COc2ccc(CCC(C)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401130	NAWRIVHXIAIPJI-OAQYLSRUSA-N	547.699	3.131	0	20	KGAD	
COc1cccc(-c2nnn(CC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)n2)c1	514291974	JWNVNOFOWBZEEV-UHFFFAOYSA-N	505.000	3.206	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1	514292099	KMZGFJYNPHOOQE-SFHVURJKSA-N	535.066	3.199	0	20	KGAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)NC(=O)NC1CCCCC1	514374349	AQSUPLBUWCJBQY-UHFFFAOYSA-N	507.638	3.162	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1nnnn1Cc1cccs1	514388793	ZGCRYGRTIXILSC-UHFFFAOYSA-N	522.678	3.087	0	20	KGAD	
CN(Cc1nnc2n1CCCCC2)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514393235	TZHDLRUAUYMRJF-UHFFFAOYSA-N	500.452	3.371	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1	514394794	STNGTZRNSHRMBT-CTNGQTDRSA-N	506.650	3.026	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	514404498	FYBHQSFOPBQCQN-UHFFFAOYSA-N	500.042	3.224	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)CC1	514290785	BJOXKRBFRUZGCY-ZEQRLZLVSA-N	690.848	3.020	0	20	KGAD	
CCCn1c(CCC(=O)N(C)Cc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292702	OZVLVKGWMFGOCD-UHFFFAOYSA-N	502.612	3.198	0	20	KGAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)Nc1ccc(C(F)(F)F)cc1	514298070	XMLAWMIBVUWLAP-UHFFFAOYSA-N	512.554	3.377	0	20	KGAD	
O=C(NC1CCN(CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC1)c1ccccc1	514304410	SUJOJEHEHYORJM-UHFFFAOYSA-N	505.482	3.049	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2c1	514376951	VKFYOUDHUONOAT-SFHVURJKSA-N	503.602	3.305	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)c(O)nc1=O	514379282	OPNCGVFHFILMQG-MRXNPFEDSA-N	511.604	3.232	0	20	KGAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	514379783	USHYPGHZCFLUKV-UHFFFAOYSA-N	502.511	3.312	0	20	KGAD	
CCCCn1c(N)c(N(C)C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(O)nc1=O	514385174	BGBYTGGRQUVVRO-UHFFFAOYSA-N	507.635	3.440	0	20	KGAD	
CCCCCn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c2c1=O)CCC3	514375071	LEBCPCISVLNCFH-UHFFFAOYSA-N	534.729	3.235	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1-c1ccc(F)cc1)N(C)C	514385065	YZRKQHGKGRCXAE-MRXNPFEDSA-N	502.641	3.167	0	20	KGAD	
COCCn1c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nnc1-c1ccncc1	514385755	TXWLIKNVSMNMJW-UHFFFAOYSA-N	506.554	3.446	0	20	KGAD	
O=C(Cn1cc(Cl)cn1)N[C@@H]1CCc2nc(NC(=O)c3csc(-c4cccnc4)n3)sc2C1	1817369586	URQRXMAMJZZYEA-CQSZACIVSA-N	500.009	3.438	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c(C(=O)OC)c1C	514294200	XKCTZEFDLOINES-UHFFFAOYSA-N	515.009	3.323	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c(O)nc1=O	514295441	JIXYYBRIQZBKCK-UHFFFAOYSA-N	506.032	3.408	0	20	KGAD	
CCCn1c(CCC(=O)N2CCC(C(=O)OCC)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514297168	XNZGOBUDBFCMFN-UHFFFAOYSA-N	506.669	3.211	0	20	KGAD	
CC(C)OCCCn1c(SCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)nc2cc(Cl)ccc2c1=O	514391076	ZGJWIBCXXUGKJE-UHFFFAOYSA-N	551.090	3.194	0	20	KGAD	
Cn1c(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)nnc1-c1cccs1	514391087	FPUPRKYAHHXWGB-UHFFFAOYSA-N	503.675	3.400	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CC1	514392822	DFFTYGIGHBFLCT-RUZDIDTESA-N	559.733	3.074	0	20	KGAD	
CO[C@]1(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)O[C@H](CO[C@]2(c3ccc(Cl)c(Cc4ccc(O[C@H]5CCOC5)cc4)c3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	2048529120	JAXZBIUMLVOLEA-PALIAQMUSA-N	929.840	3.135	0	20	KGAD	
CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2[C@@H](C)c2ccccc2)C1	514293060	QYHUOHRBRXILCA-WIOPSUGQSA-N	627.789	3.469	0	20	KGAD	
O=C(CCCOc1cccc(Br)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514297600	VNOKDMOQUQLXDF-UHFFFAOYSA-N	568.490	3.104	0	20	KGAD	
O=C(CCN1C(=O)CSc2ccccc21)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514301175	XRJHHOGULNFHBT-UHFFFAOYSA-N	544.699	3.165	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)CC2)cc1	514378412	FIRVGVWXCQAJIT-UHFFFAOYSA-N	588.535	3.130	0	20	KGAD	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	514380696	TYFSOQZGCUSIRS-UHFFFAOYSA-N	515.632	3.052	0	20	KGAD	
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cc(Br)ccc1N1CCOCC1	514382108	GPKTWWUIVKYGOJ-UHFFFAOYSA-N	514.467	3.313	0	20	KGAD	
Cc1c(-c2ccccc2)sc(NC(=O)CSc2nnc(O)n2C[C@@H]2CCCO2)c1C(=O)N1CCOCC1	514386496	QAHAOSGYHHFQKF-SFHVURJKSA-N	543.671	3.403	0	20	KGAD	
CSCC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	514387011	CIRVUKQUQHIWCO-KZNAEPCWSA-N	522.674	3.179	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c(O)nc1=O	514388961	WOBIKOPWAMCKNA-GOSISDBHSA-N	521.618	3.398	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCN(C2CC2)CC1	521478199	MCVHJIAQFXDSIM-INIZCTEOSA-N	500.008	3.065	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514290993	BUDKPDUJIKGWTF-UHFFFAOYSA-N	592.769	3.039	0	20	KGAD	
CCCCCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1	514293631	UCLXBFQYEPXJEM-UHFFFAOYSA-N	547.678	3.493	0	20	KGAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1	514382031	ZAQPQYDQEYALPX-UHFFFAOYSA-N	531.411	3.375	0	20	KGAD	
COCCn1c(SCC(=O)N2CCN(Cc3cccs3)CC2)nc2ccc(Br)cc2c1=O	514386150	FZMHGRKBPMCGIT-UHFFFAOYSA-N	537.505	3.303	0	20	KGAD	
COc1cc(CN(C)C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)ccc1OCc1ccccc1	514387986	KZXHCMIMLBBUNY-OAQYLSRUSA-N	544.699	3.131	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CCCC4)c(O)nc1=O	514396011	ZEGBZPFPYRPEGK-CQSZACIVSA-N	532.692	3.375	0	20	KGAD	
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1cccc(S(N)(=O)=O)c1	514401523	YEFVDRUWQXSJFN-ZDUSSCGKSA-N	554.012	3.284	0	20	KGAD	
CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(CCOC)[C@H]4CCS(=O)(=O)C4)nnc23)cc1	514403931	UGOADSSDCCJDHC-UGKGYDQZSA-N	583.736	3.301	0	20	KGAD	
O=C(NC[C@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1)c1cc(=O)nc2sccn12	1811258170	GVORBBBZMLHOQJ-AUUYWEPGSA-N	500.005	3.499	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c1	514292138	LEDMLDVZWCKDSQ-NRFANRHFSA-N	578.757	3.369	0	20	KGAD	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514299324	LHQAJIHHMUTXBZ-UHFFFAOYSA-N	540.608	3.487	0	20	KGAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)c12	514300401	NTGISNKSVSOPLM-LAUBAEHRSA-N	519.631	3.391	0	20	KGAD	
C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514374480	CKPRKOICMMDIJS-QFIPXVFZSA-N	584.768	3.453	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CC[C@H]2Cc3ccccc3NC2=O)c(O)nc1=O	514394058	HALRYQPLSAVQMB-IBGZPJMESA-N	519.602	3.464	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)n2C	514394956	XQFXFBKPJBIOCF-SANMLTNESA-N	541.718	3.498	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c(O)nc1=O	514402379	HHNJNDKVSXRQRQ-GOSISDBHSA-N	543.646	3.334	0	20	KGAD	
CCc1cc[n+](/C(C(=S)Nc2cnn(CC)c2)=C(/O)c2ccc(CCNS(C)(=O)=O)cc2)cc1	726178175	MGWBCHAUFFYKGD-UHFFFAOYSA-O	500.670	3.168	0	20	KGAD	
O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3cccc(Cl)c3c1)CC2	1826671535	VBISKUMOKKNHOZ-GFCCVEGCSA-N	500.009	3.481	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)N1CCN(C(=O)c2ccco2)CC1	514293128	SKQHKPMBIRCTRN-KRWDZBQOSA-N	542.683	3.186	0	20	KGAD	
CC(C)CN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514293276	OYDYXEZWEKITCR-UHFFFAOYSA-N	621.764	3.263	0	20	KGAD	
O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514300251	MJQHDRRKJRIBIW-MOPGFXCFSA-N	508.666	3.330	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccc(CNC(C)=O)s4)cs3)CC2)c(C(=O)OC)c1C	514300877	RHCAWXVHHGSORQ-UHFFFAOYSA-N	640.787	3.490	0	20	KGAD	
O=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(Cl)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	514386534	RJIHEWMDAFBEEV-IBGZPJMESA-N	567.520	3.116	0	20	KGAD	
CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1	514291675	IMBZZIUAGOHKCX-UHFFFAOYSA-N	542.702	3.364	0	20	KGAD	
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12	514378914	ZFIRNRFAIJDALM-UHFFFAOYSA-N	511.556	3.255	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC1)n2C	514378965	KSWIAWSBRJONKG-UHFFFAOYSA-N	616.593	3.376	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514379782	YPUSCNHJNLIISI-UHFFFAOYSA-N	557.673	3.468	0	20	KGAD	
O=C(CN1CCN(C(=O)CCCc2nc(O)c3ccccc3n2)CC1)Nc1ccccc1C(F)(F)F	514383654	ICJILRDCNVIVFQ-UHFFFAOYSA-N	501.509	3.460	0	20	KGAD	
COCCCn1c(SCC(=O)NC[C@@H]2COc3ccccc3O2)nnc1-c1ccc(OC)c(OC)c1	514385401	HIRRUEOZSLBHBE-GOSISDBHSA-N	514.604	3.047	0	20	KGAD	
COc1ccc(-n2c(SCC(=O)NCC(C)(C)N3CCOCC3)nnc2-c2ccccc2OC)cc1	514387532	OLZIHTZVJQRZQU-UHFFFAOYSA-N	511.648	3.271	0	20	KGAD	
CCCCCn1c(SCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)nc2sc3c(c2c1=O)CCC3	514389156	ANUWYMYQENLUCV-UHFFFAOYSA-N	532.713	3.466	0	20	KGAD	
CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(=O)OC)C1	514391426	IYHUSVPCGDHBMD-GOSISDBHSA-N	503.621	3.024	0	20	KGAD	
CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(CCOC)[C@@H]4CCS(=O)(=O)C4)nnc23)cc1	514403928	UGOADSSDCCJDHC-DENIHFKCSA-N	583.736	3.301	0	20	KGAD	
COCCCn1c(SCC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)nc2cc(Cl)ccc2c1=O	514298209	WVCVULJNTIQDNW-NRFANRHFSA-N	516.019	3.305	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)N[C@H](C)c1ccc(Br)cc1	514301029	WEWQDVHKPZAWKU-MRXNPFEDSA-N	526.453	3.158	0	20	KGAD	
C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)N1CCN(c2ncccn2)CC1	514302472	FLAMZVMORMXUBS-OALUTQOASA-N	518.647	3.225	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O	514375727	UTZLMQGPCRBUDS-UHFFFAOYSA-N	550.987	3.026	0	20	KGAD	
COc1ccc(NC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1S(=O)(=O)N1CCOCC1	514377609	BSKNCJRTGFNSGZ-OAHLLOKOSA-N	552.700	3.304	0	20	KGAD	
Cn1c(CCC(=O)N2CCC(Cc3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379020	LJWFYTGJKWJXOS-UHFFFAOYSA-N	510.660	3.008	0	20	KGAD	
CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514383682	IMIUWQUVNCUXQN-UHFFFAOYSA-N	525.959	3.012	0	20	KGAD	
COCCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1	514386381	MWGDBYHWQRKJLP-LJQANCHMSA-N	536.075	3.102	0	20	KGAD	
COCCCN(C(=O)CSc1nc(C)c(C)n1CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514386445	PNRVKYPOTROOTC-UHFFFAOYSA-N	528.679	3.211	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1	514392989	JSSKXBMIYQZVCX-UHFFFAOYSA-N	515.661	3.296	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1	514402763	MUWWAJCJUWSZAW-UHFFFAOYSA-N	565.714	3.358	0	20	KGAD	
CS(=O)(=O)N1CCCc2cc(/C(O)=C(/C(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)[n+]3cccc(O)c3)ccc21	912842492	KRJINWPJAGPNFX-XGHQBKJUSA-O	500.666	3.381	0	20	KGAD	
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1	514292921	OGNABZFGMVJLJJ-GOSISDBHSA-N	526.080	3.050	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)cc2)C[C@@H](C)O1	514294164	ZPDLTDNGYLWBRA-CALCHBBNSA-N	542.079	3.175	0	20	KGAD	
Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)c(=O)n(-c2ccccc2)n1C	514297157	SKZGEQCPHCNEOM-UHFFFAOYSA-N	539.702	3.349	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1	514300291	NMORNEIEIJISPD-UHFFFAOYSA-N	537.480	3.367	0	20	KGAD	
COCCN(C(=O)CCC(=O)Nc1nc(-c2ccc(SC)cc2)cs1)c1c(O)nc(=O)n(CC(C)C)c1N	514302696	QJJJRMPDPIQXSG-UHFFFAOYSA-N	560.702	3.431	0	20	KGAD	
CCCCn1c(CCC(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)nc2cc(S(=O)(=O)N(C)C)ccc21	514379205	PHVQJFXOULMMPX-UHFFFAOYSA-N	630.793	3.179	0	20	KGAD	
CN(Cc1ccc2c(c1)OCO2)C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514385048	YECLQGCPKYFPMH-UHFFFAOYSA-N	501.424	3.299	0	20	KGAD	
COc1ccccc1-n1c(SCC(=O)N(CCC(N)=O)c2ccc(F)cc2)nnc1N1CCCCC1	514390542	NOGMCUYJZGACCA-UHFFFAOYSA-N	512.611	3.406	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H](O)COc3cccc(C(C)=O)c3)n2C)c1	514292760	MLXDJPOITFNSKM-FQEVSTJZSA-N	518.661	3.247	0	20	KGAD	
CC(C)OCCCn1c(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc2c1=O	514375683	UBLDNLHFHJNHOB-FQEVSTJZSA-N	574.725	3.352	0	20	KGAD	
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1	514375739	VZDVXVBEXQOCMK-QFBILLFUSA-N	521.665	3.408	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1	514388745	YBCKDPZNQMNYTN-UHFFFAOYSA-N	519.689	3.483	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)N2CCc3sccc3[C@H]2CC)n1CCN1CCOCC1)N(C)C	514391423	ITFPTHZTBQKWEH-WOJBJXKFSA-N	506.742	3.313	0	20	KGAD	
COc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)cc1S(=O)(=O)NC(C)C	514393158	PRRVMQIMDBRPOC-UHFFFAOYSA-N	546.671	3.333	0	20	KGAD	
CNC(=O)C1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(OC(F)F)c(OC)c2)CC1	514302020	ABPNMKQVIINFLF-SFHVURJKSA-N	506.575	3.494	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514378739	WMMGKTWZQVYEDD-UHFFFAOYSA-N	588.683	3.232	0	20	KGAD	
O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	514380656	RQCIWXBZDQRKNH-UHFFFAOYSA-N	529.036	3.088	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O	514382998	APMNBSKREAWWBY-DJJJIMSYSA-N	545.386	3.140	0	20	KGAD	
O=C(CSCc1nc(O)c2c3c(sc2n1)CCCC3)N1CCC(NS(=O)(=O)c2ccccc2)CC1	514392834	DOKVCMZWHPNXAS-UHFFFAOYSA-N	532.713	3.478	0	20	KGAD	
Cc1ccc(CNC(=O)CCCCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1F	514403205	KELOMIVYJJEQQM-UHFFFAOYSA-N	525.668	3.074	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc(Br)s4)CC3)CC2)cc1	514299741	QDXGBYBEJWVONE-UHFFFAOYSA-N	554.532	3.458	0	20	KGAD	
CCOc1ccc(-n2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc([C@@H](C)CC)cc4)CC3)c2C)nn1	514303094	UFTZSHNFZCORTF-SFHVURJKSA-N	512.636	3.030	0	20	KGAD	
CCN(C(=O)CSc1nnc(Cc2cccs2)n1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1	514375321	NRHXMJUOBNFGNO-LJQANCHMSA-N	504.703	3.301	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	514380742	ORWQWNQPHKTXFA-TZIWHRDSSA-N	587.768	3.453	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1c(O)nc(=O)n(CCCC)c1N	514388163	PQXNCHKWAYEWQY-UHFFFAOYSA-N	526.638	3.166	0	20	KGAD	
CCN(CC)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)c1ccccc1	514291813	HXOPAGVZEHRCQM-QHCPKHFHSA-N	501.649	3.073	0	20	KGAD	
CC(C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514291971	JDBHCEPUFNSIRD-UHFFFAOYSA-N	502.618	3.244	0	20	KGAD	
CCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292657	PCHBJQUAHCXMFI-UHFFFAOYSA-N	672.251	3.262	0	20	KGAD	
CC(C)CN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514296069	ORBAIPIAVKTACV-UHFFFAOYSA-N	519.668	3.055	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c(O)nc1=O	514300444	OZLFTIBHQXXPKR-IBGZPJMESA-N	533.695	3.370	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)N(C)Cc2ccc(Cl)cc2)c(C(=O)OC)c1C	514302230	NDECZSFLTIFRTL-MRXNPFEDSA-N	563.119	3.342	0	20	KGAD	
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)CC2)cc1	514303428	MYDSFKWCXRGHDF-UHFFFAOYSA-N	629.779	3.090	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1S(=O)(=O)N1CCOCC1	514304336	RVJKWZJLTHIACM-UHFFFAOYSA-N	541.626	3.287	0	20	KGAD	
Cn1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	514386026	AXNIBYOKJCMQOS-MOPGFXCFSA-N	551.804	3.118	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(c3cc(C)nc(C(C)C)n3)CC1)n2C	514390310	FQAFKDDQJQHOMQ-UHFFFAOYSA-N	541.722	3.107	0	20	KGAD	
CCCCn1c(CCC(=O)NC[C@H](c2cccs2)N(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21	514394822	UARMTWYHGBMBIK-OAQYLSRUSA-N	505.710	3.500	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCc1nc(O)c2ccccc2n1	514380859	WAZBCMAYOFWWBX-UHFFFAOYSA-N	514.604	3.105	0	20	KGAD	
CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	514388079	UKZXPVDRWWETDQ-NRFANRHFSA-N	530.449	3.010	0	20	KGAD	
CCOc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1S(=O)(=O)N(CC)CC	514400832	BPRJEKVCAOTGCJ-QFIPXVFZSA-N	500.621	3.283	0	20	KGAD	
COc1cc(-c2nnc(SCC(=O)NC3CCN(C(C)=O)CC3)n2-c2ccccc2F)cc(OC)c1OC	514403345	YNGKBDZAJNWMCA-UHFFFAOYSA-N	543.621	3.318	0	20	KGAD	
COc1cc(C(=O)NC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc(OC)c1Oc1cccc2c1nc(N)n2C	100100464	KGOIEZDKZZBQCO-GOSISDBHSA-N	563.567	3.074	0	20	KGAD	
COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1	514292508	NBQLRKFCJHZDFZ-UHFFFAOYSA-N	522.675	3.476	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1	514296511	MQNSYOKCENQRRL-UHFFFAOYSA-N	503.621	3.369	0	20	KGAD	
CCN1CCc2nc(NC(=O)CCc3nc4cc(S(=O)(=O)N5CCCCC5)ccc4n3C)sc2C1	514377438	VOEYAKFFGQGXRM-UHFFFAOYSA-N	516.693	3.154	0	20	KGAD	
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1S(=O)(=O)N1CCOCC1	514385226	DPUADCMNGIKTFO-UHFFFAOYSA-N	565.714	3.312	0	20	KGAD	
Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCN([C@H](C)C(=O)NC6CC6)CC5)C4=O)cc3)sc2c1	514391396	IVUDYOZAHVYHES-WZONZLPQSA-N	517.655	3.188	0	20	KGAD	
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1	514292925	OGNABZFGMVJLJJ-SFHVURJKSA-N	526.080	3.050	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1Cl	514295433	JIKGFWBYLZUQHC-SOLBZPMBSA-N	516.085	3.216	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N(CCc2ccccc2)Cc2ccc(C)s2)c(O)nc1=O	514383818	LZVVXCURDVESPA-UHFFFAOYSA-N	555.701	3.342	0	20	KGAD	
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1	514386345	LFYCGQKEOXHQJP-UHFFFAOYSA-N	585.756	3.075	0	20	KGAD	
COc1cc(CCC2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)CC2)cc(OC)c1	514393221	SILQSEIHDFXXLD-UHFFFAOYSA-N	532.659	3.218	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC(C)C)o2)cc1	514403699	ZBGUGWLULZJMMK-UHFFFAOYSA-N	548.643	3.284	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1Cl	514295430	JIKGFWBYLZUQHC-BQFCYCMXSA-N	516.085	3.216	0	20	KGAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)Nc1ccccc1OC(F)F	514379470	ALJGJZMHQLEVQR-UHFFFAOYSA-N	539.479	3.301	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4CC[C@H]3C)CC2)c(C(=O)OC)c1C	514387440	HRBROBMLGITFPF-OAHLLOKOSA-N	534.656	3.398	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nnc2n(-c3cc(C)ccc3C)c(=O)c3ccccc3n12)[C@H]1CCS(=O)(=O)C1	514388631	RPZWPFJJPWODFR-OALUTQOASA-N	539.683	3.166	0	20	KGAD	
CCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1OCC	514392170	VESDLLXLPSXWHK-UHFFFAOYSA-N	513.620	3.386	0	20	KGAD	
O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	514403797	QOLHMDJKLDPSDF-IBGZPJMESA-N	542.521	3.060	0	20	KGAD	
O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514300248	MJPKVNWDKMBYPE-NHCUHLMSSA-N	560.673	3.272	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2OC)cc1	514380498	LWDGMAMXNLGCAJ-WOJBJXKFSA-N	515.588	3.008	0	20	KGAD	
Cc1nnc(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)n1Cc1ccccc1	514389523	ICOBMINBJXMOSH-UHFFFAOYSA-N	511.673	3.491	0	20	KGAD	
CS(=O)(=O)NCCc1ccc(C(=O)CSc2nnc(N3CCCCC3)n2-c2ccccc2)s1	514390035	VRGRUCSDZRBSIM-UHFFFAOYSA-N	505.691	3.386	0	20	KGAD	
CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(=O)NCCN)ccc21	2048526641	OFHOFLFXGGZWEH-UHFFFAOYSA-N	721.827	3.208	0	20	KGAD	
COCCCN(C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514295577	IPTXUKBVUDRACF-UHFFFAOYSA-N	569.684	3.012	0	20	KGAD	
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1=O	514297152	SKQQDKDEOXQAQM-FGZHOGPDSA-N	570.712	3.049	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N1CCC(c2nc3ccccc3s2)CC1	514299322	LEXGEQAKRXDUNF-UHFFFAOYSA-N	604.776	3.404	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1S(=O)(=O)N(CC)CC	514302924	HICXYBYVHXVTPZ-UHFFFAOYSA-N	509.650	3.080	0	20	KGAD	
COc1cccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c1	514377223	NZFBAFARMRDJJU-NRFANRHFSA-N	513.595	3.461	0	20	KGAD	
CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[C@H]1c1ccc(OC)cc1	514382582	QQHVNLCXGBMSRI-WNCULLNHSA-N	559.685	3.443	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1	514383435	JCVNWEBGQYWJOT-UHFFFAOYSA-N	570.741	3.377	0	20	KGAD	
O=C(CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1)N1CCCCC1	514389859	PKNCVBQAXVVCFA-UHFFFAOYSA-N	538.592	3.277	0	20	KGAD	
NC(=O)CCn1c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nnc1-c1cccs1	514395484	LQZYBHSEJGGRIF-UHFFFAOYSA-N	524.594	3.342	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(CN4CCCC4)n3-c3ccccc3)cc2)C[C@@H](C)O1	514292630	OGDPHGOTJRNUPI-NHCUHLMSSA-N	570.741	3.392	0	20	KGAD	
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	514390373	HZLKSYMFIKSLJW-UHFFFAOYSA-N	541.051	3.010	0	20	KGAD	
O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1	514402940	UECBKYWAZQXJCM-UHFFFAOYSA-N	522.067	3.372	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N[C@H](CC)c2ccc(OC)cc2)c(O)nc1=O	514403759	PKUQRZLWMNBZGX-HXUWFJFHSA-N	501.628	3.377	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)Cc1ccc3c(c1)OCCO3)n2CC	514404965	OUKCSKAARFPPOY-UHFFFAOYSA-N	514.648	3.449	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nnc(-c3ccncc3)n2CCOC)ccc1C	514375024	KCIHQORCWIGMRG-UHFFFAOYSA-N	518.665	3.056	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N3CCOCC3)c1)n2CC	514379197	OZLRJYCWEKYQOD-UHFFFAOYSA-N	612.174	3.332	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCN(Cc2ccncc2)CC1	514386825	DKKXGOJBINJYAR-LJQANCHMSA-N	551.056	3.498	0	20	KGAD	
Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nnc2N2CCCC2)cc1	514400872	CTWNZXSTRPFUFV-HXUWFJFHSA-N	556.714	3.316	0	20	KGAD	
COc1cc(CSCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)ccc1OC(F)F	514401059	KRXWPIYDLWUTRK-UHFFFAOYSA-N	516.588	3.498	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1	514292059	JVIIKAKGKNBMMZ-SVFBPWRDSA-N	505.637	3.030	0	20	KGAD	
CC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1ccc(Br)cc1	514384902	WDCWDCMSKRHXKQ-INIZCTEOSA-N	579.336	3.374	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)ccc2OC)cc1	514392327	VDFIOWXKYMVSRB-UHFFFAOYSA-N	544.630	3.430	0	20	KGAD	
Cn1c(CCC(=O)NCc2ccc(Cl)cc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376149	CVNNWONGAICXEN-UHFFFAOYSA-N	511.431	3.150	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	514377060	KLVTWVQYHGDPFA-UHFFFAOYSA-N	513.538	3.124	0	20	KGAD	
CCCOc1c(Cl)cc(C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)cc1OC	514390138	ZAZVOCZTKUZYBY-UHFFFAOYSA-N	517.025	3.132	0	20	KGAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)CC1	514296267	KZWQPCAEYVYSKL-UHFFFAOYSA-N	671.890	3.246	0	20	KGAD	
COc1ccccc1-c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)o1	514376539	NOYRYCMACBCRJN-UHFFFAOYSA-N	559.670	3.097	0	20	KGAD	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1	514390049	WHONLCLVABXWSB-FQEVSTJZSA-N	515.507	3.002	0	20	KGAD	
COCCN(C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1	514392562	YUGBIPWWFGZBOC-QFIPXVFZSA-N	528.700	3.229	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(N2CCCC2)n1Cc1ccco1	514393448	BJEDGJFHJVUEAI-UHFFFAOYSA-N	590.728	3.059	0	20	KGAD	
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C	514377387	SZYPPGLBMUMVHN-HSZRJFAPSA-N	571.696	3.122	0	20	KGAD	
Cc1nnc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cc5ccc(Cl)cc5nn4)sc3C2)s1	1816905353	JHDLVAGAIWRRPO-ZDUSSCGKSA-N	500.009	3.368	0	20	KGAD	
Cc1nc(-c2cccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)c2)cs1	514303570	XBLQXPMQVOAWKH-UHFFFAOYSA-N	528.656	3.228	0	20	KGAD	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	514378240	CNKJZPHXPLUUAU-WOJBJXKFSA-N	515.632	3.128	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C)cc2C)c(C(=O)OC)c1C	514380942	SLAHRGLNTCCHGY-INIZCTEOSA-N	528.674	3.285	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N(C)C	514385234	DSOJRLBRVSXUFN-UHFFFAOYSA-N	509.650	3.071	0	20	KGAD	
CCCn1c(CSCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514400914	FAEMQWSMPJZRPU-AZUAARDMSA-N	508.710	3.395	0	20	KGAD	
CSc1ncccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)c3nncn3c1)CC2	1820980177	JCLKQWQJXGQJRS-GFCCVEGCSA-N	500.009	3.496	0	20	KGAD	
COC[C@H](C)n1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nc2ccccc2c1=O	514302089	AXDXFYSCIYGJKZ-FUHWJXTLSA-N	503.646	3.357	0	20	KGAD	
COc1ccccc1-n1c(SCC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)nnc1N1CCCCC1	514390718	ASKWDLHGJMSTHA-UHFFFAOYSA-N	598.751	3.094	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1CCN1CCOCC1)N(C)C	514294421	ZGOORIVLUPSYEL-GOSISDBHSA-N	500.591	3.373	0	20	KGAD	
COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C(=O)C(C)C)CC3)c2)cc1Cl	514297815	VBLBAFYQWOVDRW-UHFFFAOYSA-N	524.039	3.407	0	20	KGAD	
COCCCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c12)c1c(O)nc(=O)n(CC(C)C)c1N	514378019	CGAFZLCSYWANAU-UHFFFAOYSA-N	520.681	3.279	0	20	KGAD	
CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n3c(CN4CCN(C(=O)C(C)C)CC4)nnc23)cc1	514381115	XYLQDCQTCSFMTQ-UHFFFAOYSA-N	509.010	3.386	0	20	KGAD	
COc1ccc([C@@H](CC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)NC(C)=O)cc1	514384562	QBIYTYOZXWFBPG-HXUWFJFHSA-N	514.431	3.102	0	20	KGAD	
O=C(Cc1cnn(-c2ccccc2)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514402428	IVDDGYKGOOLHAS-UHFFFAOYSA-N	509.632	3.065	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1S(=O)(=O)N1CCCCC1	514403988	VWDODQYFFXENIQ-KRWDZBQOSA-N	521.661	3.358	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C	514301015	VSNYCGPWZVEMJR-SFHVURJKSA-N	522.693	3.127	0	20	KGAD	
Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2	514388829	SMYAKRNOQOIDSC-GOSISDBHSA-N	531.729	3.453	0	20	KGAD	
COc1ccc(CN(C)C(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)cc1OC	514394503	WTLZSNXIXZCPEQ-HXUWFJFHSA-N	503.669	3.461	0	20	KGAD	
C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)c1ccc(OC(F)F)cc1	514401732	COXWFSQYIZLFAZ-INIZCTEOSA-N	522.574	3.006	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)C[C@@H](C)O1	514378549	HHQWSORJHHVRFZ-KDURUIRLSA-N	517.673	3.451	0	20	KGAD	
O=C(CCSc1nnc(N2CCOCC2)n1C1CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	514395397	JIXXYTZOSUYZKF-UHFFFAOYSA-N	541.099	3.008	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	514297393	VUBDIUKIJPOVMJ-UHFFFAOYSA-N	560.525	3.068	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514298947	BDNHBWSPPVTLMK-IFXJQAMLSA-N	509.650	3.069	0	20	KGAD	
O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	514301360	YETVYHDOKAOWIV-FQEVSTJZSA-N	519.092	3.161	0	20	KGAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccccc4nc3N3CCCC3)CC2)c1	514392548	XRXBSNAXVHCXRY-UHFFFAOYSA-N	507.616	3.472	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)C[C@@H](C)O1	514378551	HHQWSORJHHVRFZ-RTBURBONSA-N	517.673	3.451	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1	514384500	TWNAVZYHKWJOGN-UHFFFAOYSA-N	570.741	3.377	0	20	KGAD	
CCn1c(SCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)nnc1-c1ccc(Cl)cc1Cl	514395515	MJUMMNQJNSVFIJ-UHFFFAOYSA-N	532.461	3.389	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514293159	QNGXLZIYDRWBET-UHFFFAOYSA-N	514.431	3.500	0	20	KGAD	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514303002	IHWFCNZLRJVNPM-UHFFFAOYSA-N	577.132	3.268	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n1CCN1CCOCC1)N(C)C	514374476	CIRWTIRKUXYXOJ-GOSISDBHSA-N	550.751	3.081	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1	514378269	DNAUVXJXTONISW-UHFFFAOYSA-N	524.039	3.297	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CSCc2cccc(S(=O)(=O)N(C)C)c2)ccc1C	514297761	RYJFOTIUAYRMAR-UHFFFAOYSA-N	513.707	3.148	0	20	KGAD	
Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCCCC3)CC2)cc1S(=O)(=O)N1CCCCCC1	514298096	UPHRMLYMCZYWRL-UHFFFAOYSA-N	504.697	3.223	0	20	KGAD	
O=C(CN1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)CC1)Nc1ccc(F)cc1	514382141	HXKYAVBJKJVQJY-HSZRJFAPSA-N	556.639	3.277	0	20	KGAD	
CCCn1c(CCC(=O)NCc2c(C)cc(C)nc2O)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514387640	GZFDQPWNHRQILS-UHFFFAOYSA-N	501.653	3.443	0	20	KGAD	
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)C1	514395165	DQUFGJKQASSFIG-AEFFLSMTSA-N	524.665	3.049	0	20	KGAD	
CCCn1c(CCC(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291632	HFZHPXBDYRQAPG-UHFFFAOYSA-N	592.118	3.159	0	20	KGAD	
O=C(Nc1cccc(I)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514292420	LXJIVLBBYIAGSG-UHFFFAOYSA-N	528.368	3.102	0	20	KGAD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1	514301054	XGIXQTVNJLQPMX-NRFANRHFSA-N	522.675	3.289	0	20	KGAD	
C[C@@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514374419	BRKLEJCVVSMIPO-IEBWSBKVSA-N	563.727	3.326	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1	514386036	ZNNMOEVYKNWULA-LJQANCHMSA-N	513.616	3.361	0	20	KGAD	
CC(=O)CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(CCc3ccc(OC(F)F)cc3)C2=O)cc1	514401495	WTWWBOTULXHHSH-RXFWQSSRSA-N	504.530	3.493	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514405251	UAFHADCYGXVPKC-UHFFFAOYSA-N	630.711	3.366	0	20	KGAD	
CCCn1c(SCc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)nc2sc3c(c2c1=O)CCC3	514299569	FPWSKRXHATUUAV-UHFFFAOYSA-N	560.679	3.449	0	20	KGAD	
O=C(CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1)Nc1ccc(OC(F)(F)F)cc1	514404806	NHBYAKNWVYYLFG-JOCHJYFZSA-N	548.562	3.276	0	20	KGAD	
c1cc2ccc1OCCOCCOCCOCCOc1ccc(cc1)OCCOCCOCCOCCO2	15222757	REKDBTBSNFSNGP-UHFFFAOYSA-N	536.618	3.015	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC3CCCC3)n2[C@@H](C)COC)c1	514293331	QJECNFFKLLHQQB-KRWDZBQOSA-N	509.698	3.334	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Cc1cc2c(cc1Br)OCCO2	514299558	FELXGUIUHLCZBK-GOSISDBHSA-N	520.376	3.469	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1	514299739	QCRFRGLRCITEMA-UHFFFAOYSA-N	563.742	3.344	0	20	KGAD	
COCCN(C(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514374229	NWVVFTYKTOYTIY-UHFFFAOYSA-N	547.657	3.012	0	20	KGAD	
Cc1cccc(C)c1OCc1nnc(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)n1-c1ccccc1	514375458	QSQGCTMTKNJXIX-XMMPIXPASA-N	500.646	3.249	0	20	KGAD	
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@@H](CCSC)C2=O)cc1OC	514376160	CXUFLJJYSAHUOS-RDJZCZTQSA-N	502.618	3.117	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c1	514380043	DFWJJHKCSYJGFY-UHFFFAOYSA-N	590.772	3.026	0	20	KGAD	
COCCn1c(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)nc2sc3c(c2c1=O)CCCC3	514383720	JEKCWTIZKGAYLL-UHFFFAOYSA-N	532.713	3.121	0	20	KGAD	
COc1cc2ncn(CCCC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)c(=O)c2cc1OC	514390341	GUPGVOJABNOYNC-UHFFFAOYSA-N	514.604	3.007	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)sc(C(=O)NC)c1C	514394905	WAFFBMPIESYZQO-AWEZNQCLSA-N	513.663	3.002	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514294085	ZDFYAYBQAMHLQJ-UHFFFAOYSA-N	568.748	3.204	0	20	KGAD	
Cn1c(CCC(=O)N(Cc2ccco2)Cc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514297658	WENKVIXGNLGJDS-UHFFFAOYSA-N	528.656	3.410	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514301190	WAMVKGZSLRFYJC-SFTDATJTSA-N	587.789	3.476	0	20	KGAD	
CCCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1)c1c(O)nc(=O)n(CCCC)c1N	514379695	WWVNSKBJUCUPAZ-UHFFFAOYSA-N	591.731	3.132	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)cc1S(N)(=O)=O	514382966	DBXDSEBHVOHXIH-MRXNPFEDSA-N	548.712	3.202	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)n1-c1ccc(F)cc1)N(C)C	514386558	SLSNVGTUXIWPNU-INIZCTEOSA-N	549.698	3.076	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(N2CCCC2=O)cc1	514387776	LLXLRNQYOPTNCL-UHFFFAOYSA-N	501.605	3.404	0	20	KGAD	
CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1	514390346	GXHMYXLVCQMVJZ-GOSISDBHSA-N	510.060	3.126	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CCc4[nH]c5ccccc5c4C3)CC2)c(C(=O)OC)c1C	514393017	KVUXHAZHBBUBCP-UHFFFAOYSA-N	559.666	3.097	0	20	KGAD	
O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1	514401318	SZVXHYPKUBJYPA-FQEVSTJZSA-N	515.623	3.100	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)CC2)cc1	514402324	ODUDWXQPNSSDDD-XMMPIXPASA-N	506.068	3.239	0	20	KGAD	
Nc1c(N(CCC2=CCCCC2)C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(O)nc(=O)n1Cc1ccccc1	514295094	ISKWFHHPULZEGG-QFIPXVFZSA-N	531.613	3.445	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)c(C)c2)CC1	514378073	QOVBIRRJQIJBFP-SFTDATJTSA-N	500.665	3.187	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2-c2cccc(C)c2)cc1	514382752	CUWUXAKKEHUCOV-UHFFFAOYSA-N	544.703	3.174	0	20	KGAD	
CSCC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514387009	CIRVUKQUQHIWCO-FGTMMUONSA-N	522.674	3.179	0	20	KGAD	
Cc1ccc(NC(=O)Cc2nc(CSc3nnc(CCC(N)=O)n3C[C@H]3CCCO3)cs2)cc1	514395822	UTTQMILRRHPWHY-GOSISDBHSA-N	500.650	3.113	0	20	KGAD	
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCCOCCN	2332239625	IMJARMFRGASVMW-AFEGWXKPSA-N	660.812	3.136	0	20	KGAD	
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1	514293621	WKPXXXHLANKTBG-CVDCTZTESA-N	602.739	3.104	0	20	KGAD	
COCCn1c(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc2c1=O	514294020	VQCYQTIWYOHBKC-SFHVURJKSA-N	528.096	3.137	0	20	KGAD	
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1	514295207	CTVXKIXRDCROEV-HNNXBMFYSA-N	500.042	3.406	0	20	KGAD	
O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(C[C@@H](O)COCc2cccs2)CC1	514380974	UGNHKCSMPIHWDA-OAHLLOKOSA-N	509.875	3.048	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)c(C)c2)CC1	514392208	SLDJMAXEOVTIAR-UHFFFAOYSA-N	516.572	3.449	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)CC1	514404281	ATNIBSQWTJNTCC-UHFFFAOYSA-N	547.729	3.301	0	20	KGAD	
C[C@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514292287	LNPAZMJBGMISRX-FQEVSTJZSA-N	556.714	3.003	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CCc2c(C)nc3cc(C)nn3c2C)c(O)nc1=O	514299960	JAJHLGMNKCHIKS-UHFFFAOYSA-N	503.607	3.465	0	20	KGAD	
O=C(NCCc1ccc(OC(F)F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514301138	WZBNELFECVHYEB-UHFFFAOYSA-N	523.602	3.272	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	514376458	AIUAPMFGJOXBQJ-IRXDYDNUSA-N	538.464	3.266	0	20	KGAD	
CCCn1c(CCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379578	FCEAZGTVEAOAET-XWUOBKMESA-N	502.681	3.341	0	20	KGAD	
COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1C(=O)OC	514383187	HTOHJTVJHOWKLU-UHFFFAOYSA-N	558.638	3.285	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)ccc1Cl	514384678	SZJBGZUKNVPWLD-AWEZNQCLSA-N	500.042	3.333	0	20	KGAD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1CCCOC	514386071	BWAJRQSGIOXFNK-UHFFFAOYSA-N	543.642	3.378	0	20	KGAD	
O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514391114	GDWKPYRBIUJZIW-UHFFFAOYSA-N	563.101	3.497	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C	514291304	CXLWLDIVASYCKA-UHFFFAOYSA-N	579.770	3.210	0	20	KGAD	
Cc1cc2nc(C)c(CCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)c(C)n2n1	514300399	NSNMICZVKNWDHG-UHFFFAOYSA-N	540.690	3.237	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	514302183	LYPGMQNPLCLUEH-IBGZPJMESA-N	564.549	3.175	0	20	KGAD	
CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n1CCN1CCOCC1)N(C)C	514303014	IVBXVPOQWTZYDU-WMLDXEAASA-N	516.499	3.444	0	20	KGAD	
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc1)C2=O	514380782	QHLZSVVXTHQKSW-QUGAMOGWSA-N	542.614	3.088	0	20	KGAD	
COCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	514385827	WDZDJUKUOZCGQH-OAQYLSRUSA-N	535.091	3.401	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C)c1c(O)nc(=O)n(CCCC)c1N	514393948	CNUHPFDBNGBYHE-QHCPKHFHSA-N	555.655	3.413	0	20	KGAD	
O=C(NCc1ccnc(N2CCCC2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514395966	YEJCLLULHOAZMI-GOSISDBHSA-N	507.454	3.161	0	20	KGAD	
C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	514387946	KESHXWPRZQJYQL-NEPJUHHUSA-N	513.617	3.313	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)ccc1C	514291427	FYFLDNKDIOMMEX-UHFFFAOYSA-N	540.689	3.148	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N(CC)Cc1nc(O)c2ccccc2n1)c1c(O)nc(=O)n(CCCC)c1N	514297466	ZVGQWXHCJGBABX-UHFFFAOYSA-N	553.664	3.332	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)c1c(O)nc(=O)n(CC(C)C)c1N	514377016	WLYMMLVWSUITRQ-UHFFFAOYSA-N	624.789	3.462	0	20	KGAD	
CCCn1c(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)nc2ccccc21	514380193	ZGKAWYUWHUSAPT-UHFFFAOYSA-N	524.647	3.408	0	20	KGAD	
CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCCCC2)CC1	514384462	QMVMJHHKXSFCAB-UHFFFAOYSA-N	661.895	3.012	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)n2C	514385514	KGOYCBDRXDEUPV-UHFFFAOYSA-N	525.675	3.414	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(C)[C@H](C)c3ccccc3)CC2)c(C(=O)OC)c1C	514403119	IPQGYKYUPDIUHI-MRXNPFEDSA-N	522.645	3.250	0	20	KGAD	
COCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514291234	BZPLYDYGNOPEPL-NZQKXSOJSA-N	613.737	3.128	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)N2CCOCC2)cc1	514293190	SAKYDQAICQOSBC-HXUWFJFHSA-N	572.547	3.110	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c1	514295570	FGFYFPUSWGYQJY-MRXNPFEDSA-N	512.654	3.500	0	20	KGAD	
CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514291487	GSJNIUAAIMBZNQ-GOSISDBHSA-N	521.709	3.334	0	20	KGAD	
O=C(CSCc1nc(O)c2c3c(sc2n1)CCC3)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514296153	MIUHTAYJCMKDDD-UHFFFAOYSA-N	539.104	3.305	0	20	KGAD	
COCCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514297136	XLEGXPBTALGWPK-UHFFFAOYSA-N	546.978	3.150	0	20	KGAD	
COc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCN(CCN3CCCC3)CC2)cc1OC	514301286	ZOAUGCVQYNLNGD-UHFFFAOYSA-N	512.676	3.288	0	20	KGAD	
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1S(=O)(=O)N(C)C	514387331	HJUZKHLNPHAWGZ-UHFFFAOYSA-N	549.593	3.183	0	20	KGAD	
CN(C)Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1	514394051	GXIBDLRYZDFRCK-QGZVFWFLSA-N	500.484	3.289	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cn1	514404996	PQVNPWHOBDHQBD-KRWDZBQOSA-N	519.476	3.264	0	20	KGAD	
CC1CCN([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c2cccs2)CC1	514293476	RCQIRSQNRBSNNY-HSZRJFAPSA-N	520.721	3.038	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514379255	RABZJNJTYZOKOB-UHFFFAOYSA-N	542.079	3.096	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514384098	LILXCUXAFIAFOX-QGZVFWFLSA-N	520.652	3.355	0	20	KGAD	
Cc1cccc(-n2c(SCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)nc3sc4c(c3c2=O)CCCC4)c1	514385885	YBFUVZPLUKCASR-HXUWFJFHSA-N	572.778	3.058	0	20	KGAD	
CCOC(=O)c1c(C)oc2nc(CSc3nnc(N4CCOCC4)n3-c3ccc(C)cc3)nc(N)c12	514386507	QLUGOXQNAARMIS-UHFFFAOYSA-N	509.592	3.308	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N1CCN(CCc2ccccc2)CC1)c1c(O)nc(=O)n(CCCC)c1N	514390643	RTHOAOITCZGYSE-UHFFFAOYSA-N	540.709	3.022	0	20	KGAD	
CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc4c(c3)OCCCO4)C2=O)cc1OCCC	514402076	DPHYSFMNNBOZNW-UHFFFAOYSA-N	511.531	3.359	0	20	KGAD	
CCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514295031	HNMBUYHUHWGRCZ-UHFFFAOYSA-N	571.700	3.463	0	20	KGAD	
CCOc1ccc(NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)cc1S(=O)(=O)N1CCCC1	514297886	WIJAIJNIHZZTHO-UHFFFAOYSA-N	536.459	3.094	0	20	KGAD	
O=C(CNS(=O)(=O)c1cccc(Br)c1)NC1CCN(Cc2ccc(Cl)cc2)CC1	514303971	RJRFLWVCYKAPRO-UHFFFAOYSA-N	500.846	3.162	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3	514377393	TXRAIYJURMOMLS-UHFFFAOYSA-N	546.671	3.165	0	20	KGAD	
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1S(=O)(=O)N1CCCC1	514377975	AQPFSKLRQMNWSP-UHFFFAOYSA-N	509.650	3.151	0	20	KGAD	
COCCN(C(=O)CCC(=O)Nc1ccccc1-c1cccs1)c1c(O)nc(=O)n(CC(C)C)c1N	514381930	BMBIBJIKWVZYTE-UHFFFAOYSA-N	513.620	3.314	0	20	KGAD	
COc1ccc(Cn2c(SCC(=O)NC[C@H]3CN(CC(C)C)CCO3)nc3ccccc3c2=O)cc1	514386340	LDBFYCHQITYTBD-QFIPXVFZSA-N	510.660	3.019	0	20	KGAD	
CCCn1c(CCC(=O)Nc2nc(-c3ccc[nH]3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401275	RHJVQVAIUYAGHS-UHFFFAOYSA-N	528.660	3.490	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(NS(C)(=O)=O)c(OC)c1)n2CC	514402317	OAINEYRPKZIAOM-UHFFFAOYSA-N	551.691	3.038	0	20	KGAD	
O=C(NC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1)c1ccccc1	514302451	FHADJLOTDIGYLI-IBGZPJMESA-N	534.476	3.271	0	20	KGAD	
CCn1c(SCC(=O)N[C@@H](C)c2ccccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514383306	GJKUKAHVQWWIRC-KRWDZBQOSA-N	518.661	3.055	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)c2)cc1	514389534	IVYCEYRZVSRRDK-UHFFFAOYSA-N	544.630	3.334	0	20	KGAD	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1	514390050	WHONLCLVABXWSB-HXUWFJFHSA-N	515.507	3.002	0	20	KGAD	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1	514392124	REDDDHBMZUJBMW-DEOSSOPVSA-N	532.670	3.396	0	20	KGAD	
COCCCn1c(S[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)nc2cc(C(=O)OC)ccc2c1=O	514395353	IRHXBXSTGQWPLO-UGKGYDQZSA-N	538.670	3.091	0	20	KGAD	
Cc1cccc(O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)c1	514403206	XDCGYNALISHGIS-CTNGQTDRSA-N	503.621	3.013	0	20	KGAD	
CCn1c(CSc2nc3ccccc3c(=O)n2CCCOC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293085	PPDHBINACWHEDN-UHFFFAOYSA-N	557.698	3.116	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1	514298754	DVYHUJZWFATSOJ-UHFFFAOYSA-N	576.524	3.130	0	20	KGAD	
COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)CSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1	514386672	XXTKGSHFDFZQDF-UHFFFAOYSA-N	552.701	3.235	0	20	KGAD	
COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1OC	514387128	CPBDFUIRLNHHDQ-OAQYLSRUSA-N	570.737	3.402	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nnc2n(-c3cc(C)ccc3C)c(=O)c3ccccc3n12)[C@H]1CCS(=O)(=O)C1	514388630	RPZWPFJJPWODFR-MOPGFXCFSA-N	539.683	3.166	0	20	KGAD	
COC(=O)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)c1ccc(Br)cc1	514389551	JHKVZYJCODOYSJ-GOSISDBHSA-N	525.421	3.276	0	20	KGAD	
O=C(NC[C@@H]1CCN(C(=O)c2sccc2Cl)[C@H]1c1cccnc1)c1cc(=O)nc2sccn12	1811260128	YGQQMUWVYLMSPF-KSSFIOAISA-N	500.005	3.499	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514375017	JYYNIHCFKIOAII-MOPGFXCFSA-N	531.704	3.369	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1	514384314	NXOFLRWCDUNMCB-LJQANCHMSA-N	558.520	3.345	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nc(O)nc(C)c2C(=O)OC)sc2c1CC(C)(C)NC2(C)C	514386498	QBVLTQQNKJPDAA-UHFFFAOYSA-N	522.649	3.406	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)CC2)cc1	514291263	CMRXAWUXSMEHAQ-VWLOTQADSA-N	515.676	3.448	0	20	KGAD	
CCn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514296056	OMZLPDMULZZQTJ-UHFFFAOYSA-N	633.793	3.222	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514296665	OLSZOWFDOSLUAI-LEAFIULHSA-N	588.727	3.366	0	20	KGAD	
C[C@@H]1CCc2c(sc3nc(SCC(=O)N(C[C@@H]4CCCO4)[C@H]4CCS(=O)(=O)C4)n(C[C@H]4CCCO4)c(=O)c23)C1	514300264	MSDOJRTYBLZUSW-FUMNGEBKSA-N	595.809	3.049	0	20	KGAD	
COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)cc(OC)c1OC	514392456	XHSQSTALKGQPIS-UHFFFAOYSA-N	514.604	3.199	0	20	KGAD	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1S(=O)(=O)N1CCCCC1	514293896	ZRIDBOZYQGYYMF-UHFFFAOYSA-N	534.704	3.272	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)SCc3nc(O)c4c(C)c(C)sc4n3)CC2)cc1	514296132	PQKUJNRJALJANJ-INIZCTEOSA-N	536.701	3.177	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)SCc3nc(O)c4c(C)c(C)sc4n3)CC2)cc1	514296138	PQKUJNRJALJANJ-MRXNPFEDSA-N	536.701	3.177	0	20	KGAD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2)C1	514297687	QWESIYLTQGUSKS-HNNXBMFYSA-N	519.567	3.200	0	20	KGAD	
O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1	514388785	YXIIKUFOKDZFBY-UHFFFAOYSA-N	552.466	3.364	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514404099	YUHVRVWNNHGXQR-UHFFFAOYSA-N	529.644	3.252	0	20	KGAD	
CCCNC(=O)CSc1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1	514404623	KCTHKPQMPYGTPZ-OAHLLOKOSA-N	543.762	3.450	0	20	KGAD	
O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514377873	MIGJVMBVXVRTAZ-UHFFFAOYSA-N	619.684	3.395	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514389615	LJGXXARCRXBRNA-UHFFFAOYSA-N	535.692	3.086	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nncn2CCc2cccs2)c1	514391835	PDDIEVZSODBVTP-UHFFFAOYSA-N	509.679	3.352	0	20	KGAD	
CCCCN(C(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514296496	RJZDNVRHHOOXHC-UHFFFAOYSA-N	567.716	3.294	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1	514383201	IGHRCFNIHGXJAL-QGZVFWFLSA-N	543.658	3.273	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)ccc2C)cc1	514391758	QDORVZOOHDHXRB-JTAQYXEDSA-N	518.661	3.469	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1	514292541	LQLYQCJYKGDJDT-IFMALSPDSA-N	615.844	3.091	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2CCN2CCOCC2)CC1	514375167	MGAKEWIWIKYNSO-UHFFFAOYSA-N	570.737	3.351	0	20	KGAD	
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)N2CCCC2)cc1	514377354	RWWWEKIRSXIXBJ-DEOSSOPVSA-N	507.603	3.327	0	20	KGAD	
COc1ccc(-n2c(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)cc1	514291249	DDZDOQFLJJLVGW-LJQANCHMSA-N	515.657	3.158	0	20	KGAD	
C[C@@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514374472	CVWOWIZBULFBFF-CQSZACIVSA-N	504.659	3.320	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)CC2)c(C(=O)OC)c1C	514376670	PQIMGVPPBQSXCF-UHFFFAOYSA-N	641.790	3.152	0	20	KGAD	
COCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)nc2ccc(Br)cc2c1=O	514376946	VDVWWZLOHZKPBV-UHFFFAOYSA-N	666.620	3.157	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1cccc(Cl)c1	514380078	DUPBRHLPCVCBLF-UHFFFAOYSA-N	528.096	3.280	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)CC2)cc1OC	514381863	WABOQBGGENPURS-HSZRJFAPSA-N	531.675	3.066	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnnn2C[C@H]2CCCO2)c1	514389831	OBHSCVFAZLIEDT-QGZVFWFLSA-N	537.067	3.452	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	514296137	JXZQEJRHLQZAGI-QGZVFWFLSA-N	522.023	3.140	0	20	KGAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc2nc(C)sc2c1	514378902	YYAWUOOQLNJIBG-OAQYLSRUSA-N	548.712	3.116	0	20	KGAD	
O=C([C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c2ccccc2O1)N1CCCCC1	514388814	RZUXGIUIETXHEZ-HHHXNRCGSA-N	569.680	3.055	0	20	KGAD	
COC(=O)CCCCCn1c(SCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)nc2ccccc2c1=O	514395228	FYJWUASHKHUVMB-UHFFFAOYSA-N	566.680	3.011	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(c3ccccc3OC)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514292767	MOLLLLSOGIRKSF-UHFFFAOYSA-N	527.691	3.377	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1	514296816	QLGLNXCGZWBRKS-KNQAVFIVSA-N	531.675	3.003	0	20	KGAD	
COCCCn1c(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)nc2cc(Cl)ccc2c1=O	514300570	OMIGQRFSWXHZTG-UHFFFAOYSA-N	521.064	3.225	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2	514379371	TULNPSNIXHJHEZ-UHFFFAOYSA-N	552.671	3.222	0	20	KGAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(I)cc1C	514379511	WJOSUPSOSVWJFD-NRFANRHFSA-N	617.531	3.111	0	20	KGAD	
C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc(Br)cc1Br	514388315	OCXDFFRJIISNOV-QWRGUYRKSA-N	552.314	3.437	0	20	KGAD	
CCn1c(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514391832	RLFINYYKFWZECR-UHFFFAOYSA-N	571.725	3.047	0	20	KGAD	
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514404495	FXPFYBZGKBLKGV-UHFFFAOYSA-N	570.741	3.241	0	20	KGAD	
Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c(C)c1	514294814	CCIJFJHUCYWVDY-UHFFFAOYSA-N	502.511	3.283	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)CC2)c(C)c1	514382353	KMVMWMRBWQJSSD-UHFFFAOYSA-N	526.703	3.104	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)[C@@H]1CCS(=O)(=O)C1	514388634	RVOWWIRYVPLQQW-DOTOQJQBSA-N	517.698	3.452	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1S(=O)(=O)N(CC)CC	514391286	GATRPGWKOPKWHI-UHFFFAOYSA-N	569.610	3.427	0	20	KGAD	
CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)CC1	514401247	QMYJAMJDXHEINY-UHFFFAOYSA-N	530.466	3.250	0	20	KGAD	
CCCCCn1c(CCC(=O)N2CCC(C(=O)N3CCCC3)CC2)nc2c1c(O)nc(=O)n2CCCC	514403202	KDROBYWISAXDBN-UHFFFAOYSA-N	514.671	3.083	0	20	KGAD	
COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc(C(=O)OC)c1	514296766	OAQIPINIODVKSG-UHFFFAOYSA-N	545.433	3.123	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C	514382077	FLPBOUIEAZOXIC-UHFFFAOYSA-N	540.690	3.407	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(C)[C@@H](C)c3ccccc3)CC2)c(C(=O)OC)c1C	514403118	IPQGYKYUPDIUHI-INIZCTEOSA-N	522.645	3.250	0	20	KGAD	
Cc1ccc(C2=NN(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)[C@@H](c3ccco3)C2)cc1	514405023	QKILJIWINGXPDX-YLJYHZDGSA-N	513.645	3.164	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1	15324204	QRBVRZCWKPLJIW-UHFFFAOYSA-N	523.677	3.108	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1	514294369	XTVFGJYYOHOLQQ-DWXRJYCRSA-N	528.631	3.350	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c(O)nc1=O	514379128	MNDYFURGWYLDKI-NIYFSFCBSA-N	531.654	3.440	0	20	KGAD	
COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc(OC)c1OCc1ccccc1	514386991	BREORZQPSCQGQY-QHCPKHFHSA-N	594.730	3.026	0	20	KGAD	
CCCn1c(CSCC(=O)NCCc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514405194	ROFBSHRKYCOHOM-UHFFFAOYSA-N	534.679	3.198	0	20	KGAD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)cc2)C1	514295620	IWMVRNXSCCTDNZ-HXUWFJFHSA-N	556.088	3.269	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)c1	514297507	XJQCKEYSQCNXNU-UHFFFAOYSA-N	622.688	3.023	0	20	KGAD	
CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514375750	VJHLEWWZSVCXJW-UHFFFAOYSA-N	513.645	3.308	0	20	KGAD	
CCCNC(=O)CN(C)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1-c1ccccc1	514298983	BTXJAKFFPGBPJS-UHFFFAOYSA-N	558.730	3.042	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc(OC[C@H]2CCCO2)cc1	514377578	ALJVJRHWTVGUSP-LJQANCHMSA-N	544.548	3.459	0	20	KGAD	
CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccccc3CN3CCOCC3)nnc12	514386128	FCBPERBFBMEAPD-UHFFFAOYSA-N	534.686	3.331	0	20	KGAD	
CCCOc1c(Br)cc(C(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1OC	514387755	QGQJURNCPWPLRB-UHFFFAOYSA-N	557.463	3.410	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1S(=O)(=O)N1CCCCC1	514299281	JRDUAKGOKMNNCS-UHFFFAOYSA-N	559.732	3.091	0	20	KGAD	
CCOC(=O)c1sc2nc(CN(C)C)nc(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)c2c1C	514300265	MYALJHKFBYAIBQ-UHFFFAOYSA-N	514.627	3.138	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(C)C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)CC2)c(C)c1	514377865	MBHRTYIBZMGGFW-UHFFFAOYSA-N	567.712	3.286	0	20	KGAD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(O[C@@H](C)C(=O)Nc4ccccc4OC(F)F)c3c2)C1	514386956	AOEPJWIGLADOAP-XHSDSOJGSA-N	523.562	3.155	0	20	KGAD	
COC(=O)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)c1ccc(OC)c(OC)c1	514389945	SIZPEOKLYIDEKA-LVCYWYKZSA-N	548.658	3.413	0	20	KGAD	
CCOc1cc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N(C)C)c2)ccc1OCC(=O)N1CCCCC1	514404794	NAQFMWDJEQUVHJ-UHFFFAOYSA-N	533.647	3.378	0	20	KGAD	
COCCn1c(SCC(=O)N2CCCC[C@@H]2C(N)=O)nc2scc(-c3ccccc3Cl)c2c1=O	514405500	WXEPHZFLNPJCRK-QGZVFWFLSA-N	521.064	3.383	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cc1	514294826	CEVRVGIRNPZFRH-CLOONOSVSA-N	549.715	3.340	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)C2CCCC2)c(O)nc1=O	514386258	IOAISDVLCLNVMZ-UHFFFAOYSA-N	526.667	3.498	0	20	KGAD	
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)CC2)c1	514386294	JNYFNOPOBGGXHO-UHFFFAOYSA-N	580.010	3.044	0	20	KGAD	
COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc(OC)c1Br	514386799	CNELOPVUKQBNCG-UHFFFAOYSA-N	554.463	3.340	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	106865272	KTEDETIBDRWALQ-UHFFFAOYSA-N	539.576	3.226	0	20	KGAD	
Cc1ccc(C)c(-n2c(SCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)c1	514383348	GYNNRLSNLVQNOR-LEWJYISDSA-N	541.695	3.289	0	20	KGAD	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2	514384551	VSOZINMNBGPZMI-QGZVFWFLSA-N	513.595	3.307	0	20	KGAD	
COC(=O)c1csc(S(=O)(=O)N2CCN([C@@H](C)c3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)CC2)c1	514387309	GKRKXJKDLNYAOM-KBPBESRZSA-N	536.701	3.437	0	20	KGAD	
COCCCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)c1c(O)nc(=O)n(CC(C)C)c1N	514393633	HWCYWBZVESWISD-UHFFFAOYSA-N	522.528	3.383	0	20	KGAD	
COc1ccc(-c2noc(CN3CCN(CCC(=O)Nc4ccc(N5CCCC5=O)cc4)CC3)n2)cc1	514394072	NYRMOHYSYZFRNC-UHFFFAOYSA-N	504.591	3.018	0	20	KGAD	
CC(C)c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1Cc1ccco1	514402263	MZCHJGXCYGCEMX-UHFFFAOYSA-N	542.058	3.461	0	20	KGAD	
CSCC[C@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514402327	OHLVKPGNZSTLFH-GMQQQROESA-N	508.084	3.126	0	20	KGAD	
CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2[C@@H](C)c2ccccc2)C1	514293052	QYHUOHRBRXILCA-DHLKQENFSA-N	627.789	3.469	0	20	KGAD	
CCn1c(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514295794	FMUGRUCIKMKTBQ-UHFFFAOYSA-N	546.093	3.012	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1	514377538	ZEHNWRUYXREDJC-SFHVURJKSA-N	523.677	3.399	0	20	KGAD	
O=C(C1CCN(c2nc3cc4c(cc3nc2NS(=O)(=O)c2ccccc2)OCCO4)CC1)N1CCCCC1	514380426	MSPDIUOTCMGMDJ-UHFFFAOYSA-N	537.642	3.431	0	20	KGAD	
Cc1c(Cl)cccc1-n1c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccncc1	514387702	IVCNYKIREUFHIF-WBVHZDCISA-N	506.053	3.417	0	20	KGAD	
Cc1nc(-c2ccc(CNC(=O)CCc3nc4cc(S(=O)(=O)N5CCOCC5)ccc4n3C)s2)cs1	514388937	VSPSWEJXLZTGMI-UHFFFAOYSA-N	545.712	3.337	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514389779	MJDIQFBINHPVSQ-UHFFFAOYSA-N	549.719	3.394	0	20	KGAD	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCN(Cc2ccc(Cl)cc2)CC1	514390894	ASFZWFIFFPRULX-UHFFFAOYSA-N	506.068	3.028	0	20	KGAD	
COCCN(C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1)c1c(O)nc(=O)n(CC(C)C)c1N	514403950	UUTXOKTWPKCDBA-AREMUKBSSA-N	613.737	3.200	0	20	KGAD	
CCOc1ccc(NC(=O)Cn2cc(I)c(=O)c(I)c2)cc1S(=O)(=O)N1CCCCC1	514299703	OKPUCETYESUYKL-UHFFFAOYSA-N	671.295	3.270	0	20	KGAD	
O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=O)N1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2	514299817	JCZJRFJTXJDFGI-YBXDBCKMSA-N	507.587	3.271	0	20	KGAD	
COCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCCC3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514374610	XWYDXTXAQVKHSC-UHFFFAOYSA-N	640.788	3.038	0	20	KGAD	
CN(C)[C@H](CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccccc1	514375351	OVXHYOUAEIXJKQ-JOCHJYFZSA-N	529.688	3.422	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21	514390283	DWMBXXMEFJSAPA-SFHVURJKSA-N	501.605	3.403	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)n2-c1ccccc1OC	514404657	HRSRADFSQCMLRP-RBUKOAKNSA-N	594.781	3.191	0	20	KGAD	
COCCN(C(=O)CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	514405037	QSMUFQASVPKHGN-SFHVURJKSA-N	533.697	3.079	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c(O)nc1=O	514376675	DWTWPVBGSYEDPG-UHFFFAOYSA-N	528.654	3.221	0	20	KGAD	
CCCn1c(CSCC(=O)N2CCC(c3ccccc3)=N2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514386851	FSJQHKISVGFWCH-UHFFFAOYSA-N	541.699	3.337	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)NCCCN(C)Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N	514390332	GLXRVECAMXGVEQ-UHFFFAOYSA-N	528.698	3.273	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514393135	OTPVHUWEFRCTPO-UHFFFAOYSA-N	594.782	3.014	0	20	KGAD	
COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514297212	QQFICVTYQVUKPI-UTKZUKDTSA-N	586.132	3.479	0	20	KGAD	
CN1C(=O)N(CC(=O)N(CCC2=CCCCC2)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C(=O)C12CCCCC2	514299944	LLXWFPHMTKSSOB-UHFFFAOYSA-N	562.671	3.400	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1cc(OC)c(OC)cc1Br	514382720	BGWZLCANGJHAQL-INIZCTEOSA-N	544.420	3.335	0	20	KGAD	
CCCCn1c(SCC(=O)NC(C2CC2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395688	QKHMZNDFRPHQIS-UHFFFAOYSA-N	506.694	3.254	0	20	KGAD	
CCn1c(CCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401848	GRJZPDXZECJFBV-SFHVURJKSA-N	502.612	3.368	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(CN4CCCC4)n3-c3ccccc3)cc2)C[C@@H](C)O1	514292633	OGDPHGOTJRNUPI-OYRHEFFESA-N	570.741	3.392	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1	514378435	FPGTWGLKYBUVTC-UHFFFAOYSA-N	534.487	3.171	0	20	KGAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O	514384899	VZTFWLJBBZOZLN-UHFFFAOYSA-N	503.621	3.285	0	20	KGAD	
COc1ccc(N2C(=O)C[C@@H](N3CCN(CC(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)C2=O)cc1Cl	514388229	RJDCYKNHUMVTDM-LJQANCHMSA-N	540.926	3.135	0	20	KGAD	
Cc1c(NC(=O)CSCC(=O)NCc2ccc(CN3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C	514404367	FAZYCTVOAXXPPL-UHFFFAOYSA-N	521.687	3.458	0	20	KGAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1	514404486	FQZVLNKKHYNYKA-ATIYNZHBSA-N	561.682	3.291	0	20	KGAD	
Cc1ccc(-c2noc(CN3CCN(C(=O)C4CCN(S(=O)(=O)c5ccc(C)cc5C)CC4)CC3)n2)cc1	514404529	GPGYGUIJQUSORI-UHFFFAOYSA-N	537.686	3.407	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ncnc2sc(C)c(C)c12	514374711	GNEQYLQQQAEGLL-UHFFFAOYSA-N	508.647	3.068	0	20	KGAD	
COc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)cc1S(=O)(=O)N1CCCC1	514376964	JEOODRRSYFKXDM-JOCHJYFZSA-N	529.659	3.356	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)C[C@@H](C)O1	514379121	MLOFNSMHXJPNPS-FGGBXUGGSA-N	533.647	3.153	0	20	KGAD	
CCCCSc1nnc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1	514384983	YIRFRCGNGSQEMI-UHFFFAOYSA-N	502.709	3.490	0	20	KGAD	
COc1cc(OC)cc([C@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c2nccn2C)c1	514394954	XPULAZIIEWZLEU-VWLOTQADSA-N	512.632	3.060	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)c(C)c2)CC1	514293425	QWHDYKJRGUCFKW-UHFFFAOYSA-N	542.702	3.338	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)Cc1ccc2c(c1)OCO2	514384862	UYFPHFMGDCRVPM-KRWDZBQOSA-N	515.451	3.236	0	20	KGAD	
Cn1c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	514386032	AXNIBYOKJCMQOS-RTBURBONSA-N	551.804	3.118	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1	514388519	ZPMSHBJQARYCBS-YYWHXJBOSA-N	513.616	3.413	0	20	KGAD	
CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514401266	QZSIGOVPUGTSCS-GOSISDBHSA-N	567.417	3.289	0	20	KGAD	
CCN(C(=O)CSc1nnc(COc2ccccc2-c2ccccc2)n1CCOC)[C@H]1CCS(=O)(=O)C1	514294316	WFNFFWUWNHIKJT-NRFANRHFSA-N	544.699	3.298	0	20	KGAD	
COc1cc(CN(C)C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)ccc1OC(F)F	514296429	LOHGLMYWONSIIA-UHFFFAOYSA-N	510.563	3.025	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	514377329	RFWVRFVMDZEANZ-QFIPXVFZSA-N	516.616	3.181	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	514382362	KVSGZGBMUOSEFK-UHFFFAOYSA-N	608.939	3.175	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	514387633	GUBOMJGPGYAYRX-CQSZACIVSA-N	502.420	3.344	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2nc3c(OC)cccc3s2)c(C(=O)OC)c1C	514392185	VINGJLSPZBHODM-LBPRGKRZSA-N	587.723	3.287	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1S(=O)(=O)NC1CCCC1	514394968	YFLPUTAOHIKGSX-NRFANRHFSA-N	516.620	3.469	0	20	KGAD	
COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(S[C@@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)C(C)C)nnc12	514403154	WDCLQIPJDOIIGU-AJTFRIOCSA-N	569.709	3.161	0	20	KGAD	
CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)C1CCN(c2ccc3nnnn3n2)CC1	913295863	ADNVTPBEKRWBFF-UHFFFAOYSA-N	500.003	3.476	0	20	KGAD	
O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3ccc(Cl)cc3c1)CC2	1826670955	JAAAZCZFUFBKMM-CQSZACIVSA-N	500.009	3.481	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)s2)c(C)c1	514377882	MPAIAPBTBINUMJ-IYBDPMFKSA-N	501.634	3.390	0	20	KGAD	
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	514382916	XZNPLYDOYVUIHQ-OAQYLSRUSA-N	507.031	3.114	0	20	KGAD	
O=C(CSCc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514401539	YMXHMRRDLZJXMV-UHFFFAOYSA-N	513.037	3.394	0	20	KGAD	
CCCCn1c(CCC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21	514301620	AXSZICDCLWHEJC-WOJBJXKFSA-N	521.728	3.023	0	20	KGAD	
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514379031	LTSNVFQEQNGXKB-UHFFFAOYSA-N	591.737	3.207	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514393373	YHQLUIPEQPCOHF-HDICACEKSA-N	521.661	3.154	0	20	KGAD	
COc1ccc(CCn2c(SCC(=O)N3CCCC[C@H]3C(N)=O)nc3sc4c(c3c2=O)CCC4)cc1OC	514404441	HLTYDJPAEROBBE-SFHVURJKSA-N	556.710	3.165	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)CSc4ncnc5ccccc45)CC3)cc2)C[C@H](C)O1	514295710	JRVRSWPYTBZGPM-PMACEKPBSA-N	583.736	3.397	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c(O)nc1=O	514298768	FIYLWTHAPDTDAB-UHFFFAOYSA-N	501.672	3.433	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc(C)nc2sc(C)c(C)c12	514375433	PDMAHKYSYYTUDW-UHFFFAOYSA-N	522.674	3.377	0	20	KGAD	
COc1ccc([C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)NC(C)=O)cc1	514383062	BXYTWQFKWUIHAU-OAQYLSRUSA-N	514.431	3.102	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C2CC2)CC1	514400965	HAHXUAAWLYFDPU-UHFFFAOYSA-N	505.644	3.223	0	20	KGAD	
CCCNC(=O)CSc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1	514404916	NKPUXAZMWGMYTB-UHFFFAOYSA-N	529.735	3.062	0	20	KGAD	
O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	514294930	DSMVHZHZLSPREE-UHFFFAOYSA-N	546.498	3.315	0	20	KGAD	
COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1	514295125	GZBYTLYRWBYORC-IRXDYDNUSA-N	531.660	3.113	0	20	KGAD	
CCC1(CC)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)C1=O	514296941	TUVDSYBERABBIE-UHFFFAOYSA-N	548.584	3.242	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514380425	KRJJKOIRSCIKGG-QGZVFWFLSA-N	561.026	3.425	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(-c1ccc(OCc3ccc(C(=O)OC)o3)c(OC)c1)n2CCOC	514387448	MVWNWQYWWZPQFY-UHFFFAOYSA-N	526.546	3.379	0	20	KGAD	
COc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc1S(=O)(=O)N1CCCCCC1	514402633	PZYLCSMASWGYPG-QHCPKHFHSA-N	501.649	3.063	0	20	KGAD	
CCCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1OCCC	514403238	RRQFGZHPUSWSHG-UHFFFAOYSA-N	547.674	3.374	0	20	KGAD	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514404446	IABOFCPLNDCWBY-VXKWHMMOSA-N	530.647	3.360	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)N2CCOCC2)cc1	514299297	KDEFSWSCKCCAIP-XMMPIXPASA-N	540.057	3.078	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCN(Cc2cccc3ccccc23)CC1	514301385	YZUXWEXPIALBJG-UHFFFAOYSA-N	535.666	3.356	0	20	KGAD	
CCn1c(SCC(=O)N[C@@H]2CCOc3ccccc32)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514303624	XKSUYAJXFGLRAL-OAQYLSRUSA-N	527.672	3.482	0	20	KGAD	
CC(C)C(=O)N1CCN(C(=O)COc2c(I)cc(Cl)c3cccnc23)CC1	514377683	DXIXUSXZFRGIGA-UHFFFAOYSA-N	501.752	3.198	0	20	KGAD	
CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1	514382726	BMFRPWOAMAJDBJ-UHFFFAOYSA-N	547.056	3.259	0	20	KGAD	
COc1ccc(CN2CCN(CC(=O)Nc3cc4c(cc3Cl)OCCCO4)CC2)c(OC)c1OC	514392309	WOBOYMHWNWDDLX-UHFFFAOYSA-N	505.999	3.283	0	20	KGAD	
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	514394161	RMQOAIWTOHSAGV-QFIPXVFZSA-N	524.108	3.469	0	20	KGAD	
Nc1nc(CN2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)nc2ccccc12	514403302	SJORWBMRUQEEFT-UHFFFAOYSA-N	536.702	3.054	0	20	KGAD	
CCCOc1c(Br)cc(C(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)cc1OC	514404698	IYXWTKFCJDYATJ-UHFFFAOYSA-N	527.416	3.040	0	20	KGAD	
Cc1ccc(C2=NN(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)[C@H](c3ccco3)C2)cc1	514405022	QKILJIWINGXPDX-XLIONFOSSA-N	513.645	3.164	0	20	KGAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1	514291283	CVMPRUSLMYXRLT-UHFFFAOYSA-N	533.594	3.432	0	20	KGAD	
CCCCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514291808	HCUDCKQBWIPZSP-IBGZPJMESA-N	556.776	3.139	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1	514292669	NRUQJGDMYCFNES-UHFFFAOYSA-N	544.095	3.010	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1	514299288	JXKZCPQPLHHSRT-JOCHJYFZSA-N	521.661	3.148	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)NCc2ccccc2OC(F)(F)F)c(C(=O)OC)c1C	514302724	RCTYWTOKUPNSSU-CQSZACIVSA-N	598.643	3.245	0	20	KGAD	
COc1ccc(CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)cc1OC	514379601	APMCCCIZEPJLRR-KRWDZBQOSA-N	517.467	3.183	0	20	KGAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCC2)c1	514380068	IPSHEMCPWCDCJS-UHFFFAOYSA-N	532.663	3.156	0	20	KGAD	
CC(C)CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	514387730	JILPILWOKTYYDZ-LJQANCHMSA-N	531.704	3.390	0	20	KGAD	
O=C(NC[C@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@H]1c1cccnc1)c1sccc1Cl	1811099267	NOHGROWGONMIJA-KDOFPFPSSA-N	500.005	3.499	0	20	KGAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514383841	MLAWFEVFZBAIJN-ZWKOTPCHSA-N	515.661	3.048	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)nnc12	514385033	XQAXNAVRLSFVIC-UHFFFAOYSA-N	555.682	3.158	0	20	KGAD	
COc1cccc(NC(=O)CN(C)C(=O)CSc2nnc(CN3CCCC3)n2Cc2ccccc2)c1	514386562	SLXOXXCYUYMXEL-UHFFFAOYSA-N	508.648	3.120	0	20	KGAD	
Cc1sc2ncnc(N3CCC(C(=O)N4C[C@@H](C(=O)N5CCOCC5)Oc5ccccc54)CC3)c2c1C	514388222	RDXSDYCNOMUJNE-QFIPXVFZSA-N	521.643	3.178	0	20	KGAD	
Cn1c(CCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292663	NQPJBDWLHALUKE-UHFFFAOYSA-N	563.684	3.150	0	20	KGAD	
CCCn1c(CCC(=O)N(CC)Cc2nc(O)c3ccccc3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379713	XGNRBNFDZOGBOH-UHFFFAOYSA-N	566.684	3.097	0	20	KGAD	
COc1cc(Br)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC	514384217	QXKWPRXTBSHUDR-UHFFFAOYSA-N	519.439	3.442	0	20	KGAD	
CCCn1c(CSCC(=O)NCC2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387477	NMZUJDZZFGPIGL-UHFFFAOYSA-N	508.710	3.397	0	20	KGAD	
COc1ccc([C@H](CNC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)N2CCOCC2)cc1	514403300	SJCUHSKTUCYHGW-SANMLTNESA-N	549.697	3.159	0	20	KGAD	
CCCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1c(O)nc(=O)n(CCCC)c1N	514404573	IMGZNEZDWMUPCA-UHFFFAOYSA-N	591.731	3.117	0	20	KGAD	
COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCN(c4ncccn4)CC3)[C@@H]2c2ccccc2OC)cc1	514404670	IASYHMFHMABZTP-OZXSUGGESA-N	501.587	3.327	0	20	KGAD	
O=C(CSc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514374467	CTTANUGAVKZYMO-UHFFFAOYSA-N	545.605	3.294	0	20	KGAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1	514384065	KISVWUSEBWUIAW-UHFFFAOYSA-N	561.686	3.343	0	20	KGAD	
CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1OCCC	514384138	MNACDRCJJNSOBA-UHFFFAOYSA-N	538.601	3.240	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1	514384898	VZPVGDLPJUWSKQ-UHFFFAOYSA-N	519.954	3.412	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1cc(NC(C)=O)ccc1OC	514404100	YUOYWLNGYJSQCP-UHFFFAOYSA-N	511.622	3.028	0	20	KGAD	
COCCN(C(=O)CSc1nnc(Cc2cccs2)n1CCc1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514291884	HWZPEAWYSBPARC-UHFFFAOYSA-N	597.767	3.445	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c(O)nc1=O	514295143	HEUORTZQUZGZJS-UHFFFAOYSA-N	559.645	3.001	0	20	KGAD	
CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(=O)OC)C1	514391427	IYHUSVPCGDHBMD-SFHVURJKSA-N	503.621	3.024	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CNc2cc(S(=O)(=O)N(CC)CC)cc(C)c2C)sc(C(=O)NC)c1C	514391695	NBLCKKDTEVKJPC-UHFFFAOYSA-N	538.692	3.291	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)CC1	514403211	XGTCYEKMOWFSOZ-UHFFFAOYSA-N	609.815	3.150	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccc(Br)c(C)c2)n1CCN1CCOCC1)N(C)C	514293314	QATHHPZYBAQFRF-IBGZPJMESA-N	525.517	3.425	0	20	KGAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1	514296703	OYTBUOYYGODDGR-HXUWFJFHSA-N	561.604	3.096	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2c(C)nc(SC)nc2C)c1	514301933	IMEQHFMOPKYNMH-UHFFFAOYSA-N	521.709	3.254	0	20	KGAD	
CSCC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	514376058	AUEUKIZTTFZAED-QFIPXVFZSA-N	519.689	3.425	0	20	KGAD	
CCCn1c(CCC(=O)N(C)Cc2cccc(OC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514378245	COAQTXOVVZTSPX-UHFFFAOYSA-N	514.648	3.067	0	20	KGAD	
O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2	514384508	ULKRCYDSIMGMHC-HXUWFJFHSA-N	503.646	3.483	0	20	KGAD	
O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1	514390402	IWUNBMRUDDCSMU-VWLOTQADSA-N	552.722	3.348	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)n2c1	514395647	PJITXQGGBYGSOP-HNNXBMFYSA-N	505.622	3.040	0	20	KGAD	
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1	514295526	CAPWUZSHUSZJMI-KRWDZBQOSA-N	550.486	3.406	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCC(C)C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)CC2)cc1	514378662	UVFFKWMQULWHLM-UHFFFAOYSA-N	567.712	3.368	0	20	KGAD	
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1ccccc1OC(F)F	514382375	LNGWYAWRZKWRNM-UHFFFAOYSA-N	510.382	3.057	0	20	KGAD	
CCN(CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1nc(O)c2cc(OC)c(OC)cc2n1	514388400	XXYZGKQNEUHNES-AREMUKBSSA-N	510.591	3.459	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3cc(OC)cc(OC)c3)c3nccn3C)CC2)cc1	514390195	AZQWWOSMZQGVPG-RUZDIDTESA-N	542.658	3.143	0	20	KGAD	
COCCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)nnc12	514392134	UQDABZHCWRGUKX-UHFFFAOYSA-N	534.642	3.050	0	20	KGAD	
Nc1c(C(=O)NC[C@H]2CCN(C(=O)c3cnc(Cl)s3)[C@H]2c2cccnc2)sc2nccnc12	1807314539	RCYPABNAVGZFJB-WBMJQRKESA-N	500.009	3.412	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cc1	514294833	CEVRVGIRNPZFRH-DFBJGRDBSA-N	549.715	3.340	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)CC1	514300751	SUYDXNTTYUSJEC-JOCHJYFZSA-N	512.676	3.263	0	20	KGAD	
Cn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514377712	GHVYHTWPIDORSD-UHFFFAOYSA-N	673.736	3.281	0	20	KGAD	
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514379810	VDMKNBLYTCWFBH-FQEVSTJZSA-N	559.632	3.099	0	20	KGAD	
O=C(CSc1nnc(-c2ccncc2)n1C1CC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514383031	FAROVOBWHBNFAS-UHFFFAOYSA-N	535.051	3.080	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1	514384607	REDVTJBGSUHSRF-UHFFFAOYSA-N	564.730	3.363	0	20	KGAD	
O=C(NC[C@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	514300482	WGGYWHHJTBILLJ-HXUWFJFHSA-N	516.060	3.131	0	20	KGAD	
CCc1c(C)sc2nc(S[C@H](C)C(=O)N3CCC(C(=O)OC)CC3)n(C[C@@H]3CCCO3)c(=O)c12	514301643	BJNREHCPVJDNRX-WBVHZDCISA-N	507.678	3.400	0	20	KGAD	
C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1	514375451	QMEXLEQKGOZTMZ-OAQYLSRUSA-N	522.675	3.371	0	20	KGAD	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1	514382358	KSISXIJSDZCQAV-UHFFFAOYSA-N	509.054	3.074	0	20	KGAD	
CCCCNS(=O)(=O)c1cccc(NC(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CC(C)C)c1	514385105	YRYKJOFODMGJGQ-UHFFFAOYSA-N	546.694	3.404	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1	514387766	QMXNZRIWPSBXTD-MHZLTWQESA-N	544.718	3.129	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)[C@@H]1CCS(=O)(=O)C1	514388635	RVOWWIRYVPLQQW-NVXWUHKLSA-N	517.698	3.452	0	20	KGAD	
Cc1cc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)n([C@H]2CCS(=O)(=O)C2)n1	514391638	NYPCCCXIAIUKFS-INIZCTEOSA-N	511.633	3.357	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nncn3CCc3cccs3)cc2)C[C@@H](C)O1	514405412	VQTNSJOJOBPANN-IAGOWNOFSA-N	521.690	3.111	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)nc1=O	514295921	GPRPKMXIPVGJBR-UHFFFAOYSA-N	525.450	3.460	0	20	KGAD	
COc1cc(CCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc(OC)c1OC	514300683	QCZREZRUPSVGFP-UHFFFAOYSA-N	509.525	3.447	0	20	KGAD	
CCCCn1c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nnc1[C@H](CC)N(C)C	514301090	VLPFBZURHOOVFR-HKUYNNGSSA-N	513.755	3.460	0	20	KGAD	
O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	514404315	BPQGWVFLNNKTMB-UHFFFAOYSA-N	589.161	3.051	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)c(O)nc1=O	514293319	SXSHWXZRNIKABJ-UHFFFAOYSA-N	556.689	3.318	0	20	KGAD	
COc1ccc(CCn2c(SCC(=O)NC(N)=O)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC	514293353	TXMAVNLLUDEBOZ-ZDUSSCGKSA-N	516.645	3.130	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cc(Cl)ccc2OC)c(C(=O)OC)c1C	514296810	OHQDFBAMWAUNQK-ZDUSSCGKSA-N	565.091	3.330	0	20	KGAD	
CCn1c(CCC(=O)N[C@H]2CCSc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514299836	JIELNEPDPAIZGN-FQEVSTJZSA-N	514.673	3.363	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1	514301170	XOSHYWZIZCKREM-UHFFFAOYSA-N	550.475	3.269	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)ccc1Cl	514302582	GWLGKLQLNLITAP-UHFFFAOYSA-N	612.174	3.332	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N[C@H](C)c2ccc(Br)cc2)n1CCN1CCOCC1)N(C)C	514375136	LQDVDJWUOJHBDL-XLIONFOSSA-N	539.544	3.355	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	514381922	XNMUONKQJHRVGF-UHFFFAOYSA-N	521.661	3.103	0	20	KGAD	
COc1ccc(COC[C@H](O)CSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1	514388120	VIJAOXKAXSETAY-DEOSSOPVSA-N	543.711	3.267	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)sc(C(=O)N(C)C)c1C	514392507	WZJALQQFHNQJER-UHFFFAOYSA-N	557.698	3.441	0	20	KGAD	
COCCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1nc2ccccc2s1	514402033	KAGLWLJOJDKZMK-UHFFFAOYSA-N	517.629	3.148	0	20	KGAD	
CCOC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)sc2c1CC(C)(C)NC2(C)C	514292029	JFVORTIUSOYIMH-UHFFFAOYSA-N	595.740	3.375	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nc4cc(Br)cnc4[nH]3)cc2)C[C@@H](C)O1	514293277	TWQPXMVDJKDTAW-CHWSQXEVSA-N	540.465	3.249	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CC1	514299531	HILXWYUVEWPNLI-OYRHEFFESA-N	526.703	3.367	0	20	KGAD	
CCCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccc(Cl)cc1	514301194	WBYPMQLUJWITBX-RBUKOAKNSA-N	513.085	3.295	0	20	KGAD	
CCCn1c(N)c(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@H](C)CC)c(O)nc1=O	514375141	LUJQKBFEUJAGHC-MRXNPFEDSA-N	577.733	3.176	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)nnc1-c1ccco1	514375277	MQGPEZCDJVSCST-HZPDHXFCSA-N	505.622	3.087	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514381968	CHZHNNSNPZVUKC-UHFFFAOYSA-N	584.718	3.085	0	20	KGAD	
Cc1nc(C)c(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)o2)s1	514395760	SHXOYGFUVMXKLP-UHFFFAOYSA-N	507.663	3.052	0	20	KGAD	
O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CC2)c1cnc(Cl)s1	1820788604	WMGCLDMZVAUWIT-YEAUUJKJSA-N	500.005	3.389	0	20	KGAD	
COCCCn1c(SCC(=O)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1ccccc1Cl	514382605	RWPCOQAVWNKWFS-UHFFFAOYSA-N	507.016	3.111	0	20	KGAD	
O=C(CSc1nnc(SCC(=O)NC(=O)NC2CCCCC2)s1)NC(=O)NC1CCCCC1	514291404	FSMGNUAUHYRODB-UHFFFAOYSA-N	514.699	3.039	0	20	KGAD	
CCOc1c(Br)cc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1OC	514295768	KEEUZFDPLFOASV-UHFFFAOYSA-N	541.449	3.008	0	20	KGAD	
CCOc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1	514302976	HSQGLYUNJDZKAF-HSZRJFAPSA-N	540.711	3.361	0	20	KGAD	
CC(C)CN(C(=O)CSCC(=O)N(C)C1CCCCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377767	IEXXFMKNDIITHW-UHFFFAOYSA-N	515.680	3.093	0	20	KGAD	
CCOc1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1S(=O)(=O)N1CCOCC1	514385464	IHMYPGMORGTCLP-PPXQLYMYSA-N	547.718	3.402	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)c3sc4nc5n(c(=O)c4c3C)CCCCC5)CC2)c(OC)c1OC	514387064	AQZDQMPNBUTSEU-UHFFFAOYSA-N	526.659	3.477	0	20	KGAD	
O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(-c2nnc3n2CCCCC3)cc1	514387466	HYKGLGTWYWDSBL-UHFFFAOYSA-N	550.641	3.393	0	20	KGAD	
Cc1cc(NC(=O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1	514391444	JUFDHDXCHRYUHJ-XMMPIXPASA-N	543.640	3.175	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)CC1	514291285	DQMQEFNWTFDJBU-UHFFFAOYSA-N	511.600	3.297	0	20	KGAD	
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514292618	MYKZOHFZQJODNH-UHFFFAOYSA-N	556.106	3.154	0	20	KGAD	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	514293707	WNFJNKJYWKMWKO-UHFFFAOYSA-N	558.484	3.443	0	20	KGAD	
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)N1CCN(C(=O)c2ccco2)CC1	514374640	DNHYZURKEANEGV-PXNSSMCTSA-N	513.595	3.321	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)o2)c1	514389558	JLQCEOLSTFZHPC-UHFFFAOYSA-N	558.686	3.236	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2CCOC)c1	514374736	GDKMOENUEOEADS-UHFFFAOYSA-N	506.650	3.453	0	20	KGAD	
O=C(CSc1ncccn1)N[C@H]1CCc2nc(NC(=O)c3cn4c(Cl)cccc4n3)sc2C1	1818123313	OGDJWFHLYBGUFF-LBPRGKRZSA-N	500.009	3.252	0	20	KGAD	
CC(C)n1ncc(S(=O)(=O)N2CC[C@H]3Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cscn3)C2)n1	2090608572	DUHWKWNCLIALLV-BVZFJXPGSA-N	555.661	3.319	0	20	KGAD	
O=C(CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299862	JNZHSZUHDIPDED-WOJBJXKFSA-N	592.537	3.435	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	514376771	RCMMHGBGTGHPBV-IBGZPJMESA-N	532.109	3.163	0	20	KGAD	
O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2	514386896	HWFNXKXISUEODO-NZHMSBQYSA-N	520.139	3.442	0	20	KGAD	
O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1	514395249	GIIDBMMDLNMGOS-NRFANRHFSA-N	520.449	3.023	0	20	KGAD	
NC(=O)CCc1nnc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)n1C[C@H]1CCCO1	514395850	VSIARKLFVLZBAM-JOCHJYFZSA-N	507.660	3.306	0	20	KGAD	
Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n1Cc1ccccc1	514290929	BIXVHPYVNWQGCZ-HDICACEKSA-N	515.661	3.164	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C)c1c(O)nc(=O)n(CC(C)C)c1N	514302173	CSFAFSUHSWFSFV-UHFFFAOYSA-N	550.085	3.329	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1cc(OC)c(OC)c(OC)c1	514376680	PTMGMVJSQWKKOX-UHFFFAOYSA-N	535.663	3.151	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2)cc1	514379309	PVUFIFZNAJQGIN-UHFFFAOYSA-N	541.695	3.082	0	20	KGAD	
CCN(CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1nc(O)c2cc(OC)c(OC)cc2n1	514388402	XXYZGKQNEUHNES-SANMLTNESA-N	510.591	3.459	0	20	KGAD	
O=S(=O)(c1cccc(-c2nnc(SC[C@H]3CCCO3)n2-c2ccc(F)cc2)c1)N1CCOCC1	514290878	CLDTUQXBOKXUOU-HXUWFJFHSA-N	504.609	3.365	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccccc2Br)n1CCN1CCOCC1)N(C)C	514291297	CVMPVYXDIBDBAQ-SFHVURJKSA-N	511.490	3.116	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1	514292062	JVIIKAKGKNBMMZ-ZVDOUQERSA-N	505.637	3.030	0	20	KGAD	
O=C(COc1cccc(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514295823	LCDOMOGJDZUEIG-UHFFFAOYSA-N	508.902	3.320	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(COc2cccc(C)c2)o1)c1c(O)nc(=O)n(CCC)c1N	514375142	LUTMRVUJWPNLHB-UHFFFAOYSA-N	502.597	3.137	0	20	KGAD	
CCOCCCn1c(S[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514387643	HAQUODHQOYESMA-RDJZCZTQSA-N	560.536	3.102	0	20	KGAD	
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C	514390002	UXOJDQCMHNGPGA-UHFFFAOYSA-N	521.583	3.270	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccccc1CN1CCCC1)n2C	514390228	CEMPMWWYAXUTJX-UHFFFAOYSA-N	511.692	3.449	0	20	KGAD	
CCCn1c(CSCC(=O)NCc2ccc(C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401065	KVVVLJDEEPARFA-UHFFFAOYSA-N	516.689	3.325	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@@H]1CCN(C2CC2)C1	519920142	NLGPTESDFIIMOU-CJNGLKHVSA-N	500.008	3.112	0	20	KGAD	
O=C(Cn1ccc2sccc2c1=O)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)ccn3)sc2C1	1820384700	DNBHBGWROKWDEL-CYBMUJFWSA-N	500.005	3.494	0	20	KGAD	
CC(C)Cn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514291896	IRMQKSKYOIHMCK-MRXNPFEDSA-N	548.756	3.337	0	20	KGAD	
CCOC(=O)c1sc2nc(C)nc(N3CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)c2c1C	514295759	FDLNPRGUECUVES-UHFFFAOYSA-N	502.618	3.198	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1N1CCN(C)CC1)n2C	514297637	VZSSKKMFNAWHGT-UHFFFAOYSA-N	659.879	3.102	0	20	KGAD	
Cc1occc1-c1nnc(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1	514300647	QKGMAIVLWOYLLV-UXHICEINSA-N	516.645	3.123	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCc3nc4cc(S(=O)(=O)N(C)C)ccc4n3CC)nnc12	514293289	TZDQNJPRIHAOQU-UHFFFAOYSA-N	569.713	3.383	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc(SCC(=O)NCC(C)C)n1-c1ccccc1	514374976	IZEXCRHNCVPBMJ-UHFFFAOYSA-N	529.688	3.128	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1	514393359	XWASQDFAGGEOOU-FQEVSTJZSA-N	519.689	3.141	0	20	KGAD	
COc1ccc([C@H](CNC(=O)CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)c2c[nH]c3ccccc23)cc1	514395069	BRTLDTWQUVVZHZ-GGAORHGYSA-N	562.696	3.405	0	20	KGAD	
COc1cc(OC)c(OC)cc1CNC(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1	514404734	KMCWARDWDJMZNA-UHFFFAOYSA-N	511.648	3.357	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccccc2Br)n1CCN1CCOCC1)N(C)C	514291295	CVMPVYXDIBDBAQ-GOSISDBHSA-N	511.490	3.116	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(C[C@@H](C)c2ccccc2)o1	514291511	GTLPPNBGODNNIZ-QGZVFWFLSA-N	532.644	3.176	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)CSCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2)CC1	514292766	MOCXBXKOUGWAIM-UHFFFAOYSA-N	536.702	3.245	0	20	KGAD	
CCOc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1	514297838	VFCVZHOGKJKJNI-UHFFFAOYSA-N	517.526	3.098	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cc(OC)ccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379572	DXFFRDQNKHYFHA-UHFFFAOYSA-N	530.647	3.446	0	20	KGAD	
COC(=O)CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccccc2c1=O	514383190	HVNKVZZJVYPUMO-HXUWFJFHSA-N	509.584	3.187	0	20	KGAD	
COc1ccc(CCn2c(SCC(=O)N3CCCC[C@@H]3C(N)=O)nc3sc4c(c3c2=O)CCC4)cc1OC	514404440	HLTYDJPAEROBBE-GOSISDBHSA-N	556.710	3.165	0	20	KGAD	
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514379238	QJEUHYROSDUMDF-UHFFFAOYSA-N	512.053	3.230	0	20	KGAD	
COc1ccc(O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1	514403808	QSHUZABVPGVOTR-LJQANCHMSA-N	503.621	3.112	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1	514300326	OUCDNQUYLYAKJA-UHFFFAOYSA-N	526.581	3.132	0	20	KGAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1sccc1S(=O)(=O)N1CCCC1	514301716	CTEWLRKCPHQBQE-UHFFFAOYSA-N	504.055	3.223	0	20	KGAD	
CCOc1cc(-c2nc3c(c(O)nc(=O)n3CC(C)C)n2CCOC)ccc1OCC(=O)N1CCCCC1	514381630	LYELAEBGNBXWHA-UHFFFAOYSA-N	527.622	3.058	0	20	KGAD	
COc1ccc(-n2c(SCC(=O)NCC(C)(C)N3CCOCC3)nnc2-c2cccc(OC)c2)cc1	514386443	PMXZXMLGPGXDMX-UHFFFAOYSA-N	511.648	3.271	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1cccc(C)c1	514291416	FTNFGTZGYKBTNQ-UHFFFAOYSA-N	531.660	3.034	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1	514297316	URIGYBFRYADICE-UHFFFAOYSA-N	586.114	3.422	0	20	KGAD	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514297365	SCIPXFQYXRCULR-UHFFFAOYSA-N	555.575	3.365	0	20	KGAD	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)c(OC)c1OC	514297715	WUPRNCNCCKIERW-UHFFFAOYSA-N	533.828	3.275	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)N[C@H](C)c2ccc(Br)cc2)n1CCN1CCOCC1)N(C)C	514375137	LQDVDJWUOJHBDL-YLJYHZDGSA-N	539.544	3.355	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)nnc2-c2ccccc2Cl)cc1	514385382	GFIHZBIGHCFKPV-HXUWFJFHSA-N	576.144	3.410	0	20	KGAD	
CCn1c(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514292382	KOLMTOGNPWAGSY-QFIPXVFZSA-N	595.813	3.190	0	20	KGAD	
COCCn1c(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc2c1=O	514294014	VQCYQTIWYOHBKC-GOSISDBHSA-N	528.096	3.137	0	20	KGAD	
O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514297506	XIDKYLVIXFXLLU-UHFFFAOYSA-N	546.498	3.315	0	20	KGAD	
CC(C)[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1)C(=O)NC(N)=O	514374627	DJCJMSIUQMZRQZ-OAQYLSRUSA-N	564.734	3.173	0	20	KGAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514378763	WQWBMSRXFPJQNN-SQHAQQRYSA-N	526.634	3.028	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)CC2)c(C)c1	514382863	XBJJTEJCIVNJQY-UHFFFAOYSA-N	507.678	3.420	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1S(=O)(=O)N1CCOCC1	514386009	ZHBGXZHEZVEUAJ-UHFFFAOYSA-N	580.501	3.360	0	20	KGAD	
O=C(CSc1ccncc1)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)nc4n[nH]cc34)sc2C1	1816063228	IHTOCYPPOSTRKU-NSHDSACASA-N	500.009	3.481	0	20	KGAD	
CCCn1c(CSc2nc3ccccc3c(=O)n2CCC(=O)OC)nc2cc(S(=O)(=O)N(C)C)ccc21	514300778	QCKRJODGLVKUJE-UHFFFAOYSA-N	543.671	3.262	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1	514385070	ZDQUADSRIORBPK-YIXXDRMTSA-N	510.635	3.062	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N[C@H](c1cccc(F)c1)c1nccn1C)c1c(O)nc(=O)n(CCCC)c1N	514393947	CNUHPFDBNGBYHE-HSZRJFAPSA-N	555.655	3.413	0	20	KGAD	
O=C(CSc1ccc2c(c1)OCCO2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514403542	MIIJINLIIWVAJN-UHFFFAOYSA-N	548.561	3.151	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299891	JUBLJASWWAHQMO-VQTJNVASSA-N	548.086	3.326	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(CC(=O)Nc3cccc(C)c3C)CC1)n2CC	514301033	WJIBRQXGTKPTMT-UHFFFAOYSA-N	582.771	3.419	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375152	LZWGZHNJEMHNCG-MRXNPFEDSA-N	504.634	3.205	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)c1	514393329	WZKHVDJVXDQQJU-QHCPKHFHSA-N	516.664	3.068	0	20	KGAD	
COc1ncc(-c2ccc3ncc(OCCN(C)C)c(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl	2048541319	BXKBZQAZYOZHJY-UHFFFAOYSA-N	547.996	3.299	0	20	KGAD	
CCn1c(SCC(=O)N(CCCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc2sc(C)c(C)c2c1=O	514294350	WVZMWBWPKCGTFT-UHFFFAOYSA-N	584.724	3.149	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)cc1OC	514298645	DNYWMMUVIMVZCU-OAQYLSRUSA-N	516.616	3.239	0	20	KGAD	
CCOc1c(Br)cc(C(=O)N(CCCOC)c2c(O)nc(=O)n(CC(C)C)c2N)cc1OC	514379150	NHZDHXSJHKEIPZ-UHFFFAOYSA-N	527.416	3.040	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1	514388964	WOPLRRGFBLNJSX-FUHWJXTLSA-N	504.634	3.111	0	20	KGAD	
COc1cc(CCC2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc(OC)c1	514391404	JEKZBCPDIVEZJO-UHFFFAOYSA-N	517.648	3.154	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CC1	514392823	DFFTYGIGHBFLCT-VWLOTQADSA-N	559.733	3.074	0	20	KGAD	
Cc1nc(C)c(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)o2)s1	514395487	LSNYYLOYYSWUNV-UHFFFAOYSA-N	514.054	3.089	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)N(Cc2ccc(OC)cc2)C2CC2)c(C(=O)OC)c1C	514401577	ZVYLPVWFVCOBSU-LJQANCHMSA-N	584.738	3.230	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514402917	HGONFTDVFBAWMH-UHFFFAOYSA-N	569.684	3.174	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1	514292845	PFTFREUGFUXQLP-LJQANCHMSA-N	502.637	3.288	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	514299710	OWSOOWQOBPQMNB-UHFFFAOYSA-N	595.740	3.317	0	20	KGAD	
CCOc1ccc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1	514303049	KASZKXWKMWOHCP-UHFFFAOYSA-N	505.662	3.437	0	20	KGAD	
O=C(CSc1nnc(N2CCOCC2)n1Cc1ccco1)NC[C@@H](c1ccccc1Cl)N1CCCC1	514394331	UFKSXTVZTXFKQK-QFIPXVFZSA-N	531.082	3.455	0	20	KGAD	
Cc1cc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)ccc1Br	514395315	HRWMGSAELMLWLT-WBVHZDCISA-N	510.458	3.484	0	20	KGAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1	514400864	CSBBRNDAEQHOEU-UHFFFAOYSA-N	512.504	3.065	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514294113	YUMAYFFYQBABED-UHFFFAOYSA-N	610.158	3.086	0	20	KGAD	
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1C	514296537	MZAVOFAUFHLVNA-UHFFFAOYSA-N	518.636	3.072	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(OC[C@H]2CCCO2)cc1	514376407	LCNNFVYNYFQCFX-JOCHJYFZSA-N	515.632	3.118	0	20	KGAD	
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C	514392147	UWCUPIHZBOFGIR-HNNXBMFYSA-N	520.658	3.353	0	20	KGAD	
O=C(CSc1ncccn1)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4cc(Cl)ccc34)sc2C1	1819275474	SDTPBIMDKYUAPD-GFCCVEGCSA-N	500.009	3.481	0	20	KGAD	
Cc1ccn2c(=O)cc(CSCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)nc2c1	514295979	DNFPSGGAQNWGNW-UHFFFAOYSA-N	500.646	3.358	0	20	KGAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)c12	514301654	BNADMYQCVXWOEX-LJQANCHMSA-N	611.668	3.142	0	20	KGAD	
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1	514303391	LRQLQJBZOZPNDD-IBGZPJMESA-N	519.067	3.300	0	20	KGAD	
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514379157	NQDOEXNYWVWBPN-HXUWFJFHSA-N	529.606	3.090	0	20	KGAD	
CCOc1cc(-c2nnc(S[C@@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)o2)cc(OCC)c1OCC	514389108	ZEFJPHYRFYARAG-RDJZCZTQSA-N	527.665	3.449	0	20	KGAD	
CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514292548	LSCGSBOINAPCTR-MSOLQXFVSA-N	541.761	3.416	0	20	KGAD	
CC[C@H]1CCc2sc(-c3nnc(SCC(=O)N(CCOC)c4c(O)nc(=O)n(CC(C)C)c4N)n3C)cc2C1	514293259	SWXCFSUVQLCZNI-INIZCTEOSA-N	575.761	3.331	0	20	KGAD	
CCN(CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)CC(=O)Nc1cccc(OC)c1	514392518	XEVTVWUFQUPDMZ-UHFFFAOYSA-N	532.663	3.168	0	20	KGAD	
CC[C@H](C)NC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2	514395007	AJANJYHEOAXDQR-RBUKOAKNSA-N	587.724	3.138	0	20	KGAD	
Cc1sc2ncnc(N3CCC(C(=O)N4CCN(CC(=O)Nc5ccc(F)cc5)CC4)CC3)c2c1C	514403786	QHZLEKZLUWEUBM-UHFFFAOYSA-N	510.639	3.447	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1S(=O)(=O)N1CCCCC1	514300630	ZOQMENWVGVJOEH-UHFFFAOYSA-N	565.714	3.308	0	20	KGAD	
CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1	514375270	OKDMWBNTOWKUDS-LJQANCHMSA-N	514.673	3.170	0	20	KGAD	
O=C(c1ccccc1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1	514376537	CDPPJIPWXYLARH-UHFFFAOYSA-N	509.550	3.091	0	20	KGAD	
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c(C)noc4C)CC3)cc2)c1C	514391099	ZWSKFAFAVFYOTO-UHFFFAOYSA-N	546.671	3.246	0	20	KGAD	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1	514392125	REDDDHBMZUJBMW-XMMPIXPASA-N	532.670	3.396	0	20	KGAD	
CC(=O)Nc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)sc2c1	514394848	USWHSBCMKPBBHZ-UHFFFAOYSA-N	530.628	3.455	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c(O)nc1=O	514296904	SBFODIPNBJANNM-UHFFFAOYSA-N	569.684	3.408	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1c(O)nc(=O)n(CCCC)c1N	514378958	KJRHGQNYTDMKMF-UHFFFAOYSA-N	556.085	3.330	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1	514388495	ZEWFVKMCGPMWFF-UHFFFAOYSA-N	542.702	3.047	0	20	KGAD	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1	514394504	WUFWLABTIRJKCO-UHFFFAOYSA-N	503.650	3.141	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1	514402045	KQWCKMJPSWDRCT-UHFFFAOYSA-N	510.582	3.236	0	20	KGAD	
Cc1noc(C)c1CSCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1	514297831	XXGNPIZRRMQUAT-UHFFFAOYSA-N	522.874	3.474	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)NCCc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514374993	JKNQLKDMIZMIJA-KRWDZBQOSA-N	520.652	3.056	0	20	KGAD	
COc1ccc([C@H](CNC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)N2CCCCC2)cc1	514376236	DLEKRBDADQYQRO-SFHVURJKSA-N	516.693	3.288	0	20	KGAD	
O=C(COc1ccccc1C(=O)N1CCCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514376797	RNRKKTUXKGCZAD-UHFFFAOYSA-N	522.023	3.005	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)SCc3nc(O)c4c(C)c(C)sc4n3)CC2)cc1	514378625	FZMHBDILXAUROI-QGZVFWFLSA-N	578.738	3.345	0	20	KGAD	
Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1	514378730	WEEXIWTVAHGAOP-LJQANCHMSA-N	501.630	3.451	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)[C@H]1CCS(=O)(=O)C1	514385526	KQXIZXDVQFOYIA-SFHVURJKSA-N	547.724	3.080	0	20	KGAD	
CCCn1c(CSCC(=O)N(C)Cc2ccccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514404637	KXVFAXRFCCCKTO-UHFFFAOYSA-N	546.715	3.368	0	20	KGAD	
COc1ccc(C(=O)/C(=C(/S)Nc2cccc(S(=O)(=O)N(C)C)c2)[n+]2ccccc2)c(OC)c1	27164485	MMAPCQUJYUNMSS-UHFFFAOYSA-O	500.622	3.293	0	20	KGAD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)cc2)C1	514295616	IWMVRNXSCCTDNZ-FQEVSTJZSA-N	556.088	3.269	0	20	KGAD	
O=C(CN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(OC(F)(F)F)cc1	514300769	PSINGADJAKAKDY-UHFFFAOYSA-N	550.397	3.378	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1	514302254	NLPLIWSKPATWPL-UHFFFAOYSA-N	541.070	3.342	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccc(OC(F)F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377432	VDZHGLLSNDLQFZ-UHFFFAOYSA-N	508.547	3.250	0	20	KGAD	
CN(CCCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)S(=O)(=O)c1ccc(F)cc1	514382807	WDIDQPDGHYWAJS-UHFFFAOYSA-N	544.571	3.028	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nnc2n(-c3cc(C)ccc3OC)c(=O)c3ccccc3n12)[C@H]1CCS(=O)(=O)C1	514395936	XKCRBHFHVZIIIM-OALUTQOASA-N	569.709	3.257	0	20	KGAD	
CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	514400788	AGFGCDYPUBOYNL-NRFANRHFSA-N	574.900	3.119	0	20	KGAD	
Cc1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n(C)c(=O)c2c1C	514403111	INBAOTFQUPQFGW-KBPBESRZSA-N	536.701	3.141	0	20	KGAD	
O=C(CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)NCCc1ccc(Cl)cc1	514297334	RXXMZACOYVCSIM-UHFFFAOYSA-N	521.083	3.122	0	20	KGAD	
CCOc1ccc(CN(C)C(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2CCCOC)cc1	514375015	JROLWQSSULAAJP-UHFFFAOYSA-N	513.616	3.369	0	20	KGAD	
CCCn1c(CCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379575	FCEAZGTVEAOAET-AQCRLBJHSA-N	502.681	3.341	0	20	KGAD	
O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1ccc2c(c1)OC1(CCCCC1)O2	514383084	CHOKGSAUGVWVKS-UHFFFAOYSA-N	505.618	3.265	0	20	KGAD	
C[C@@H](Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)C(=O)N(C)Cc1ccc(Br)cc1	514395784	SUVOYYYCRXEQRS-VQIMIIECSA-N	524.485	3.195	0	20	KGAD	
CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375965	XZVARXZISCPCNR-KRWDZBQOSA-N	500.646	3.147	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO2)cc1	514382710	AYMIJEZDZPFFAT-RBBKRZOGSA-N	534.704	3.183	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N[C@@H](CC(C)C)c1ccccc1	514390839	WKSYCFCNEATQPS-QFIPXVFZSA-N	549.715	3.291	0	20	KGAD	
CC1CCN(c2nnc(SCC(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO2)CC1	514394133	QNOGSWRSGRZYEE-UXHICEINSA-N	553.776	3.063	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2cc(C)c(Br)cc2C)c(O)nc1=O	514405024	QKPXIUBGRFQTLA-UHFFFAOYSA-N	513.458	3.482	0	20	KGAD	
O=C(Cn1ccccc1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2	1815443033	PBXYOGAKRUHWLG-LBPRGKRZSA-N	500.005	3.494	0	20	KGAD	
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	514296485	QSKXFJGLMZDCCO-HXUWFJFHSA-N	511.600	3.279	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1	514296815	QLGLNXCGZWBRKS-DENIHFKCSA-N	531.675	3.003	0	20	KGAD	
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1S(=O)(=O)N(C)C	514376364	JHWGYMDCEQJPPT-UHFFFAOYSA-N	507.678	3.408	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)SCc3nc(O)c4c(C)c(C)sc4n3)CC2)cc1	514378624	FZMHBDILXAUROI-KRWDZBQOSA-N	578.738	3.345	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)sc(C(=O)N(C)C)c1C	514394145	QZLUYQDXUSDXDV-QGZVFWFLSA-N	564.734	3.427	0	20	KGAD	
COCCN(C(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1)c1c(O)nc(=O)n(CC(C)C)c1N	514293570	VZPLCFNYOHCBQM-UHFFFAOYSA-N	533.680	3.171	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c1	514293702	WJAGPORRFURFNL-UHFFFAOYSA-N	565.714	3.281	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1	514299260	IWPABNQLOXUBCO-UHFFFAOYSA-N	553.703	3.358	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)N[C@@H](C)c2ccc(Br)cc2)n1CCN1CCOCC1)N(C)C	514375134	LQDVDJWUOJHBDL-FXAWDEMLSA-N	539.544	3.355	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3c(C)nn(-c4ccccc4)c3C)CC2)cc1OC	514383495	KBBYKECNSONZPE-UHFFFAOYSA-N	512.632	3.223	0	20	KGAD	
O=C(CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1)N1CCCC1	514384577	QQOVEABFYUCXIQ-UHFFFAOYSA-N	525.458	3.174	0	20	KGAD	
Cn1c(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)nc2sc3c(c2c1=O)CCC3	514386449	PQAIOLBWGLMKGK-UHFFFAOYSA-N	565.643	3.378	0	20	KGAD	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514392041	SNIFHPFHPUUXMN-UHFFFAOYSA-N	520.460	3.427	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(c3ccncc3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514404904	MZFRCWRECBQWDM-UHFFFAOYSA-N	512.680	3.153	0	20	KGAD	
COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)CC1=O	514297494	XAFGSWGFLFHNPX-HNNXBMFYSA-N	591.992	3.302	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1	514300379	MWKUQXUAPQIIKE-QGZVFWFLSA-N	521.661	3.223	0	20	KGAD	
COc1ccc([C@H](CNC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)c2c[nH]c3ccccc23)cc1	514303764	YXNMIUALCPWHEI-GCJKJVERSA-N	553.710	3.323	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	514377465	WLJMCZTZBXFYOF-OALUTQOASA-N	553.703	3.166	0	20	KGAD	
CCCCNS(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)c1	514384971	YDBCIFNTDNJVFT-UHFFFAOYSA-N	521.661	3.007	0	20	KGAD	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1	514390439	KCKVZXXNFXUUFC-KRWDZBQOSA-N	503.470	3.429	0	20	KGAD	
COc1ccccc1N1C(=O)C[C@@H](N2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)C1=O	514404715	JWMJIEMUWAIODA-LJQANCHMSA-N	524.927	3.256	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1	514291621	GVSCUQUFWWYYQV-AHWVRZQESA-N	527.712	3.257	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@H](O)COCc3ccccc3OC)n2C)c1	514292746	LZCOVGFQXMRUGK-HXUWFJFHSA-N	520.677	3.191	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)N(C)Cc2ccccc2Cl)c(C(=O)OC)c1C	514297407	UCEKAVOUDJARER-MRXNPFEDSA-N	563.119	3.342	0	20	KGAD	
O=C(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)N1CCN(CCN2CCCC2)CC1	514388729	XKZZQZAMVNZKOQ-UHFFFAOYSA-N	521.481	3.104	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	514389588	KOYRHCYPMOHJBT-UHFFFAOYSA-N	519.689	3.024	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n2CC(C)C	514390757	USLIUXLQTBUAAN-QFIPXVFZSA-N	542.656	3.016	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(Cc2ccncc2)CC1	514401167	NZIASWWZELOXIC-LJQANCHMSA-N	517.504	3.133	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1	514401881	AOXASWRUFLUYIS-AUSIDOKSSA-N	582.679	3.297	0	20	KGAD	
Cc1c(NC(=O)CSCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(=O)n(-c2ccccc2)n1C	514291696	FEUDCYHJXMNVJV-LJQANCHMSA-N	571.725	3.215	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1	514376482	BDZILGUJOIODFG-DEOSSOPVSA-N	563.698	3.254	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1	514380173	XYSOYSGIOPWAJB-KRWDZBQOSA-N	543.658	3.273	0	20	KGAD	
Cc1cc(C)c2c(NC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)c(C(=O)N3CCOCC3)sc2n1	514389756	LYDDKOJWLZHVCO-KUNJGFBQSA-N	541.674	3.461	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(F)cc(F)c1	514390359	HGYGYVBUTHFJSI-UHFFFAOYSA-N	515.604	3.227	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1O)n2CC(C)C	514391476	KXIDKGZUTPGUIQ-UHFFFAOYSA-N	562.693	3.062	0	20	KGAD	
CC1CCN(c2nnc(SCC(=O)NCC(=O)Nc3ccccc3Br)n2C2CC2)CC1	514394126	QFSLKPMYBCHWDN-UHFFFAOYSA-N	507.458	3.459	0	20	KGAD	
COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1OC	514402750	MFHCTWMBZJCVSN-UHFFFAOYSA-N	517.648	3.286	0	20	KGAD	
CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	514402937	HMRJDOBGRWIRHB-UHFFFAOYSA-N	513.689	3.131	0	20	KGAD	
O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	514383554	GMDSXBLJZRLVFH-UHFFFAOYSA-N	508.497	3.162	0	20	KGAD	
Cc1c(Cl)cccc1-n1c(S[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccncc1	514387699	IVCNYKIREUFHIF-DOTOQJQBSA-N	506.053	3.417	0	20	KGAD	
O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514393044	LTVGJYNWZZLCQT-UHFFFAOYSA-N	551.996	3.045	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)[C@H]1CCS(=O)(=O)C1	514395223	FWZHRMIEZNEJIQ-CJNGLKHVSA-N	510.041	3.081	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1	514401078	LHHZXZMVZNMQSQ-SFHVURJKSA-N	517.648	3.161	0	20	KGAD	
O=C(CN1CCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1)Nc1ccc(OC(F)(F)F)cc1	514300243	MODULLCRUNOOMS-UHFFFAOYSA-N	531.535	3.085	0	20	KGAD	
O=C(c1ccccc1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1	514376730	FWBLQOCRWJMFKM-UHFFFAOYSA-N	509.550	3.091	0	20	KGAD	
NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)CC2)cc1	514392802	CNRFEKVCEICNNU-UHFFFAOYSA-N	566.602	3.082	0	20	KGAD	
CCCCCN(C(=O)CNc1cc(S(=O)(=O)N(CC)CC)ccc1OC)c1c(O)nc(=O)n(CCCC)c1N	514299922	KUFVTIICAJEHFF-UHFFFAOYSA-N	566.725	3.006	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c(O)nc1=O	514390856	WPCDUIATRAVFQM-QHCPKHFHSA-N	590.681	3.139	0	20	KGAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)sc(C(=O)NC)c1C	514405395	VHAJXUSOWQMJNR-UHFFFAOYSA-N	533.672	3.121	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514294852	CHOBJEFEKHVYSJ-UHFFFAOYSA-N	633.793	3.222	0	20	KGAD	
CCn1c(CCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514378691	HOKIBLZQSNLHKB-UHFFFAOYSA-N	560.120	3.320	0	20	KGAD	
C[C@@H]1CCN(C(=O)CCC(=O)N2CC[C@@H](C)[C@@H](N(C)c3ncnc4[nH]ccc34)C2)C[C@@H]1N(C)c1ncnc2[nH]ccc12	2048529239	AOEQFXPMKNCXOH-CHOVIJNXSA-N	572.718	3.056	0	20	KGAD	
CCn1c(SCC(=O)N2CCSc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514294431	ZMLYTLZEWRLYQA-UHFFFAOYSA-N	518.686	3.308	0	20	KGAD	
Cc1cc(C)cc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1	514295769	FHMZCIUHAVWMSV-UHFFFAOYSA-N	501.527	3.316	0	20	KGAD	
O=C(NCC1(N2CCOCC2)CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514376960	JCNAHJRQDVSDES-UHFFFAOYSA-N	534.542	3.063	0	20	KGAD	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nnc(O)n1C[C@@H]1CCCO1)CC2	514377018	WNABQUIJPWWZDD-CYFREDJKSA-N	510.616	3.446	0	20	KGAD	
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1	514387156	JMKNOLUJFDIQSH-SFHVURJKSA-N	513.616	3.469	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)[C@H]1CCS(=O)(=O)C1	514388636	RVOWWIRYVPLQQW-RDJZCZTQSA-N	517.698	3.452	0	20	KGAD	
CCn1c(SCc2nn3c(=O)cc(C)nc3s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514388859	UDBWNFKUOSUEGA-UHFFFAOYSA-N	504.663	3.296	0	20	KGAD	
CS(=O)(=O)c1nc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	514390675	SOWVEDIVARVHDT-UHFFFAOYSA-N	525.052	3.297	0	20	KGAD	
O=P(O)(O)c1ccc(-c2cc(-c3ccc(P(=O)(O)O)cc3)cc(-c3ccc(P(=O)(O)O)cc3)c2)cc1	1975719705	SJPQASSBALSRNU-UHFFFAOYSA-N	546.345	3.097	0	20	KGAD	
CC(C)CN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514294219	XRXAPGPUPLBJPR-UHFFFAOYSA-N	574.103	3.323	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c(O)nc1=O	514295603	FMDOGEIGRAWCDL-UHFFFAOYSA-N	534.617	3.467	0	20	KGAD	
C[C@H](NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(Br)cc1	514300748	SSXDNYIEIKEDQO-SFHVURJKSA-N	551.507	3.360	0	20	KGAD	
COc1ccccc1N1C[C@@H](C(=O)N(CCC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1=O	514378753	WQCFIMISVOIPAJ-FQEVSTJZSA-N	519.602	3.020	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(c3ncc(C(F)(F)F)cc3Cl)CC1)n2C	514380139	GEEXTOJAIAVKJQ-UHFFFAOYSA-N	559.014	3.172	0	20	KGAD	
NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1	514386199	HFHBFGREGYRQQU-UHFFFAOYSA-N	517.623	3.449	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2ccccc2OCC)o1)c1c(O)nc(=O)n(CCC)c1N	514301010	VKDWJHGBBSVQLL-UHFFFAOYSA-N	502.597	3.315	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC)n2CC(C)C	514301706	CONCFZBNXBKMEQ-UHFFFAOYSA-N	547.056	3.446	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)c(O)nc1=O	514302025	ADGYWPKJRWHEIM-UHFFFAOYSA-N	537.683	3.063	0	20	KGAD	
CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2sc3c(c2c1=O)CC[C@H](C)C3	514375327	OMTGKIMSJPKZKM-HNNXBMFYSA-N	500.646	3.272	0	20	KGAD	
COc1cc(C)c(CN2CCN(C(=O)CSc3nc(CN4CCOCC4)nc4ccccc34)CC2)cc1OC	514391349	HQSWJVZRXULKIO-UHFFFAOYSA-N	551.713	3.224	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)c(O)nc1=O	514393345	XJWUEIWMXHFQTM-QFIPXVFZSA-N	521.618	3.449	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514292003	KCZOWWAVIISYDV-UHFFFAOYSA-N	590.768	3.433	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CC(C)C)c(O)nc1=O	514295773	KKDBUDTZDWKEKV-UHFFFAOYSA-N	586.738	3.411	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c(O)nc1=O	514377758	IAXLJSXTIWUXIZ-JOCHJYFZSA-N	556.708	3.062	0	20	KGAD	
CCn1c(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nnc1N1CCOCC1	514386211	HQLHJMOWDXSHBA-UHFFFAOYSA-N	506.676	3.161	0	20	KGAD	
CN(C[C@@H]1COc2ccccc2O1)C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1	514389804	NEGREYVHJJPOCK-GOSISDBHSA-N	514.522	3.284	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c(O)nc1=O	514390853	WPCDUIATRAVFQM-HSZRJFAPSA-N	590.681	3.139	0	20	KGAD	
CC(=O)N(c1nnc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1)C1CC1	514394450	NSGGGSFNBLBHBY-UHFFFAOYSA-N	509.679	3.267	0	20	KGAD	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nnc(C[C@@H]3CCS(=O)(=O)C3)n1C)CC2	514403040	PQSHAANVSZSRSS-HFJWLAOPSA-N	556.710	3.076	0	20	KGAD	
COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)NC(=O)N[C@@H](C)COC	514293342	QNCAHKGGSYKLJZ-SFHVURJKSA-N	513.620	3.123	0	20	KGAD	
COCCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)nnc1-c1ccccc1Cl	514298815	GYTNDNHRQGHWRX-UHFFFAOYSA-N	592.143	3.463	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(NC2CCCCC2)s1	514375267	OGUFVOWXALXHOY-UHFFFAOYSA-N	527.694	3.043	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)CC1	514376807	HCOUXXQLJXDTFQ-HSZRJFAPSA-N	571.696	3.137	0	20	KGAD	
CCCn1c(CCC(=O)NCCc2nc3ccccc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514383870	NCLBIUGTTIKUTO-UHFFFAOYSA-N	541.699	3.368	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1S(=O)(=O)N(C)C	514385763	UCUZFJUQXLNZPZ-KRWDZBQOSA-N	509.650	3.009	0	20	KGAD	
CCN(CC)Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1	514387973	KTUWMWSSGJWYRZ-UHFFFAOYSA-N	579.741	3.189	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(Br)cc2)CC1	514404525	GLKZTQFJIYQJGE-UHFFFAOYSA-N	509.422	3.295	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1	514293677	VJDFRTISJKXGBG-UHFFFAOYSA-N	569.467	3.095	0	20	KGAD	
O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CC1	514302729	RKDCZZVZCSNYHJ-UHFFFAOYSA-N	540.505	3.332	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1	514303773	ZAFPHIPNOLXMCI-NHCUHLMSSA-N	558.701	3.052	0	20	KGAD	
COC(=O)CCNC(=O)CSc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@@H]1CCCO1	514386543	RRSRFYUTRDNIJE-KRWDZBQOSA-N	501.630	3.384	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514401795	DWBQSVKYXQMRBQ-UHFFFAOYSA-N	555.669	3.375	0	20	KGAD	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2	514402531	BTRALMVQIOPDQX-UHFFFAOYSA-N	512.632	3.415	0	20	KGAD	
CCOc1ccccc1C(=O)NCCCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514402943	HNFWYVVOONMIGC-UHFFFAOYSA-N	520.552	3.397	0	20	KGAD	
O=C(CSc1nc[nH]n1)N[C@@H]1CCc2nc(NC(=O)c3cnc4ccc(Cl)cc4c3)sc2C1	1823993029	DZFLSLBUYGBKGQ-CQSZACIVSA-N	500.009	3.481	0	20	KGAD	
CCOC(=O)CCSc1nnc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1-c1ccccc1	514293766	XBJBOARKYZSWJI-UHFFFAOYSA-N	516.645	3.309	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)n2C[C@@H]2CCCO2)cc1	514299832	JOMZTWFBPVGRLM-IBGZPJMESA-N	531.660	3.128	0	20	KGAD	
CCn1c(CCC(=O)N[C@@H]2CCSc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514299839	JIELNEPDPAIZGN-HXUWFJFHSA-N	514.673	3.363	0	20	KGAD	
CCn1c(SCC(=O)NCc2ccc(OC)cc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514375503	QISTTXYEEJECHI-UHFFFAOYSA-N	515.661	3.167	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)cc1S(=O)(=O)N(C)C	514386051	ZYJDWDLEWXWITO-PXNSSMCTSA-N	553.703	3.454	0	20	KGAD	
CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N3CCN(CCN4CCCC4)CC3)c2)cc1	514298885	ADYDBFKFUXYGLQ-UHFFFAOYSA-N	514.692	3.072	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	514290979	ATJJPXAQDBOXCU-HNNXBMFYSA-N	503.477	3.370	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1	514296013	FBHXOOBDLRNKSY-NRFANRHFSA-N	503.621	3.273	0	20	KGAD	
CCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514296020	NOUGATAYPFWCKK-OALUTQOASA-N	563.721	3.309	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514296659	OLSZOWFDOSLUAI-LBNVMWSVSA-N	588.727	3.366	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3sc(C(=O)OC)c(C)c3C(=O)OC)CC2)ccc1C	514376319	HSBZLERXEKJUJK-UHFFFAOYSA-N	629.779	3.008	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1	514386556	SJRNNCGJQFITAM-UHFFFAOYSA-N	542.637	3.221	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)sc2c1CC[C@@H](C)C2	514387668	IAHKAEBOIPJLGM-ILXRZTDVSA-N	540.733	3.275	0	20	KGAD	
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514394735	RGZNSERIQZEJDO-VDGAXYAQSA-N	502.555	3.439	0	20	KGAD	
O=C(CSc1ncccn1)N[C@H]1CCc2nc(NC(=O)c3c[nH]c4nccc-4c3Cl)sc2C1	1816879834	BHVIZBRREKOULC-NSHDSACASA-N	500.009	3.433	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	514297109	SCKUVTXKSFXRMB-UHFFFAOYSA-N	576.741	3.125	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)c1	514299202	COZMDNBOTYFZPY-UHFFFAOYSA-N	550.497	3.364	0	20	KGAD	
CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1OCC	514383387	CXFCMMZLRFPZPD-KRWDZBQOSA-N	531.052	3.245	0	20	KGAD	
COc1ccc(C2=NN(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)[C@H](c3ccco3)C2)cc1	514388943	VYOPLXMPRMQDSQ-BEFAXECRSA-N	516.601	3.118	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)c2)cc1	514393256	USUJDMAZAXRWGR-UHFFFAOYSA-N	528.631	3.179	0	20	KGAD	
Cc1ccc(-n2c(S[C@H](C)C(=O)NCCc3ccc4c(c3)OCCO4)nnc2N2CCOCC2)cc1	514395531	MRLQHTVBUFFFEO-LJQANCHMSA-N	509.632	3.023	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(C(=O)N3CCCC3)cc1)n2C	514395759	SHWRJLKHXWXLEO-UHFFFAOYSA-N	511.648	3.411	0	20	KGAD	
C/C=C\c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c(OC)c1	97664003	NVVBLOBQTNWYFU-UTCJRWHESA-N	515.632	3.367	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1	514297834	SRBHQYFELUHNEC-UHFFFAOYSA-N	546.734	3.215	0	20	KGAD	
CCn1c(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376774	GNWYIWBLAWCYQL-UHFFFAOYSA-N	537.038	3.319	0	20	KGAD	
Cc1ccsc1CN(C)C(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514382602	RTFYMSKPGVELKR-UHFFFAOYSA-N	527.734	3.338	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c1	514390309	FPVNUIDNDUVCTK-UHFFFAOYSA-N	562.136	3.124	0	20	KGAD	
CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	514394435	NITNMXSTMIHXRO-HHHXNRCGSA-N	522.671	3.362	0	20	KGAD	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C	514394962	XYUDFANDPLEHCD-MRXNPFEDSA-N	506.575	3.025	0	20	KGAD	
COCCCn1c(SCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)nc2cc(Cl)ccc2c1=O	514298210	WVCVULJNTIQDNW-OAQYLSRUSA-N	516.019	3.305	0	20	KGAD	
O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CCN(S(=O)(=O)c2ccccc2F)CC1	514299917	KOJONWLNOHZRDZ-UHFFFAOYSA-N	504.609	3.311	0	20	KGAD	
CCOc1ccc(NC(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)cc1S(=O)(=O)N(CC)CC	514381075	WEYLXMDVXHEOOH-UHFFFAOYSA-N	529.562	3.094	0	20	KGAD	
O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1	514388500	VLSICZDUZTYOAW-UHFFFAOYSA-N	574.603	3.095	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1	514393127	OJFGZMYWWLOPSD-UHFFFAOYSA-N	522.671	3.496	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3S(=O)(=O)N3CCCCC3)CC2)cc1C	514393872	NPYAAJMJZZTENW-UHFFFAOYSA-N	533.716	3.195	0	20	KGAD	
COC(=O)c1cc(Br)ccc1NC(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1	514378761	JCHXLYLBADIZOB-UHFFFAOYSA-N	617.496	3.218	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1nn(C)c(=O)c2ccccc12	514384978	YHABNXGSZDNOLC-UHFFFAOYSA-N	511.648	3.136	0	20	KGAD	
Cn1c(CCC(=O)Nc2cccc(OC3CCCC3)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514403478	ZAOVVCAFUKPVFS-UHFFFAOYSA-N	512.632	3.487	0	20	KGAD	
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1	514290892	ABAXGCFDZXHVHX-SZPZYZBQSA-N	541.626	3.004	0	20	KGAD	
COCCCn1c(S[C@@H](C)C(=O)NCCc2ccc(F)cc2)nc2cc(C(=O)OC)ccc2c1=O	514291388	FQUXBHQTHPCSMD-INIZCTEOSA-N	501.580	3.198	0	20	KGAD	
Cc1ccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1S(=O)(=O)N1CCCCC1	514295032	FVZCXTJSAQNWHT-UHFFFAOYSA-N	556.088	3.331	0	20	KGAD	
CCOC(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc(C(=O)OCC)c1	514295033	HOSACMKWHGOXLE-UHFFFAOYSA-N	504.561	3.085	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)CC2)c(C(=O)OC)c1C	514295243	DMTHGWBLVFOOAC-UHFFFAOYSA-N	662.208	3.497	0	20	KGAD	
C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)N1CCN(c2ncccn2)CC1	514302473	FLAMZVMORMXUBS-RBUKOAKNSA-N	518.647	3.225	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1	514383271	FWZTXGJHUSBZGP-UHFFFAOYSA-N	508.641	3.040	0	20	KGAD	
Cc1sc2nc(CS[C@@H](C)C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc(O)c2c1C	514294946	FGMCBNMRIYUXSR-HNNXBMFYSA-N	524.665	3.308	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514301027	WETLCEKRFFHWDS-UHFFFAOYSA-N	565.743	3.226	0	20	KGAD	
CC(=O)c1ccc(OC[C@H](O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1	514386869	GUDWNNTXVWLJSK-QFIPXVFZSA-N	500.596	3.151	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514402504	ARAYWYVBXWNALR-UHFFFAOYSA-N	521.461	3.024	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1	514294371	XTVFGJYYOHOLQQ-QYBDOPJKSA-N	528.631	3.350	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1	514297819	VDKILFPHQWRDBX-UHFFFAOYSA-N	520.677	3.005	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2OC)cc1	514380496	LWDGMAMXNLGCAJ-PMACEKPBSA-N	515.588	3.008	0	20	KGAD	
Cc1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)nc1-c1ccc(F)cc1	514381556	JCSOTJZHTFBGJW-UHFFFAOYSA-N	546.646	3.367	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(O)nc1=O	514383373	HDEPXFDZOSMHIA-UHFFFAOYSA-N	580.652	3.464	0	20	KGAD	
CCCCCN(C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)c1c(O)nc(=O)n(CCCC)c1N	514300942	UJCGTNQOAVBOBW-CQSZACIVSA-N	548.438	3.302	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514377149	YWPDXQMLXKSFEJ-IAGOWNOFSA-N	523.677	3.173	0	20	KGAD	
CCCCSc1nnc(S[C@@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)s1	514395186	FEOGJBRPFIWSFV-ZDUSSCGKSA-N	516.715	3.235	0	20	KGAD	
COc1ccc(CN2CCCN(C(=O)CSc3nnc([C@H]4COc5ccccc5O4)n3C)CC2)cc1	514395226	FXTOEFWVFQMTPU-HSZRJFAPSA-N	509.632	3.163	0	20	KGAD	
Cc1ccc(-c2csc(NC(=O)CSc3nnc(CCC(N)=O)n3C[C@H]3CCCO3)n2)cc1C	514395590	ODXKYAICWWZNFS-QGZVFWFLSA-N	500.650	3.346	0	20	KGAD	
CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[C@@H]1c1ccccc1OC	514401156	NWKIZUVLUQRWPV-AMGIVPHBSA-N	559.685	3.443	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CSC)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2OC)cc1	514295811	FTXZCOINPUXOOI-NJYVYQBISA-N	561.682	3.350	0	20	KGAD	
Cc1cccc(NC(=O)CN2CCN(C(=O)CCc3c(C)nc4nc(C(F)(F)F)nn4c3C)CC2)c1C	514388164	PRHRPMRUVISZIK-UHFFFAOYSA-N	517.556	3.092	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	514402918	HHIPVSCZOIVJDX-UHFFFAOYSA-N	567.730	3.097	0	20	KGAD	
COCCCn1c(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nc2cc(C(=O)OC)ccc2c1=O	514405755	YXZSMLUKEILKNP-UHFFFAOYSA-N	542.658	3.106	0	20	KGAD	
Cn1nccc1-c1cc(C(=O)N2CC3(CCCN3C(=O)c3cnc4snnc4c3)C2)sc1Cl	1844677003	MOPVAUCMZFWTFH-UHFFFAOYSA-N	500.009	3.333	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)c1	514381923	XRDQFRKKWXSZNR-UHFFFAOYSA-N	664.044	3.116	0	20	KGAD	
COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CSc3nnc(N4CCCCC4)n3-c3ccccc3OC)nc(=O)c12	514384833	ZFJOJAUFRXTNFY-UHFFFAOYSA-N	584.680	3.359	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)nnc2-c2ccc(Cl)cc2)cc1	514386597	UQKMGATVUFDIRQ-QFIPXVFZSA-N	576.144	3.410	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)sc(C(=O)Nc2ccccc2)c1C	514387301	GEWBZCBLGSQGBR-UHFFFAOYSA-N	569.728	3.444	0	20	KGAD	
Cc1cc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4cc(Br)ccc4Br)CC3)CC2)on1	514390804	VXDSJJWNZDNJNJ-UHFFFAOYSA-N	590.338	3.253	0	20	KGAD	
C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1	514293866	ULASSEOWSQZBRN-IAGOWNOFSA-N	500.600	3.087	0	20	KGAD	
CCCCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514297447	ZLQLYJUESQGMOH-SFHVURJKSA-N	519.668	3.055	0	20	KGAD	
O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1	514299348	DHGSUDAXFISIEA-UHFFFAOYSA-N	562.458	3.174	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)nc2ccsc2c1=O	514302289	OCZDAABTPVSQIS-HUUCEWRRSA-N	522.674	3.007	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@@H](c1ccco1)N1CCCCC1)n2C	514377248	OULWOXCUMVYMBD-QHCPKHFHSA-N	515.680	3.473	0	20	KGAD	
O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514380116	FQQGBQRPQQERMK-KRWDZBQOSA-N	532.972	3.174	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1)c1c(O)nc(=O)n(CCCC)c1N	514394353	UXEZGVQAWGBGQL-OALUTQOASA-N	577.752	3.339	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nnc2n(-c3cc(C)ccc3OC)c(=O)c3ccccc3n12)[C@H]1CCS(=O)(=O)C1	514395935	XKCRBHFHVZIIIM-MOPGFXCFSA-N	569.709	3.257	0	20	KGAD	
CC[C@@H](CO)NC(=O)c1cc(I)cc(I)c1I	59237756	XGTKOSMKIMQKSL-ZETCQYMHSA-N	570.934	3.001	0	20	KGAD	
COc1ccc([C@@H](CC(=O)NC2CCCCC2)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC	514296928	QGOLPAAXIWOGPH-HSZRJFAPSA-N	517.648	3.199	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1	514376943	VAQDMVIZMNWYFF-UHFFFAOYSA-N	535.688	3.221	0	20	KGAD	
COc1ccc(Cn2c(SCC(=O)NC[C@@H]3CN(CC(C)C)CCO3)nc3ccccc3c2=O)cc1OC	514386659	XEHRQTWRBDYABH-OAQYLSRUSA-N	540.686	3.027	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3N3CCCC3)CC2)cc1OC	514388310	OAEKULVKQOWPOK-UHFFFAOYSA-N	501.649	3.363	0	20	KGAD	
CCOc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCCC1	514297372	VNQFASADFWUMJE-QHCPKHFHSA-N	563.698	3.254	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCCN3CCCC3=O)n2CCc2ccccc2)c1	514375164	LLMLLZDPWJGOFD-UHFFFAOYSA-N	598.795	3.439	0	20	KGAD	
O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	514375832	XIJHVWLMBXPTDC-UHFFFAOYSA-N	540.715	3.438	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1	514376490	BFKDNYLEQYRYIY-UHFFFAOYSA-N	523.677	3.461	0	20	KGAD	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nnc(O)n1C[C@H]1CCCO1)CC2	514377020	WNABQUIJPWWZDD-DVECYGJZSA-N	510.616	3.446	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514379438	UQRAEXUMNWRTMH-UHFFFAOYSA-N	593.724	3.071	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)sc(C(=O)OC)c1CC(=O)OC	514384229	RIIHOWWXXZTVRB-UHFFFAOYSA-N	559.626	3.146	0	20	KGAD	
COC(=O)CCCCCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)nc2ccccc2c1=O	514401147	NSHZYSSTGRFTIY-UHFFFAOYSA-N	576.697	3.120	0	20	KGAD	
C[C@@H]1Cc2cc(/C(O)=C(/C(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)[n+]3cccc(O)c3)ccc2N1S(C)(=O)=O	912842510	MADAOUUNYFXVOM-MXTNKPTQSA-O	500.666	3.380	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1	514297566	UXJZNCLGHMIXOE-PMACEKPBSA-N	565.714	3.310	0	20	KGAD	
CC[C@@H](Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)C(=O)NCc1ccccc1	514390318	FTGLAIAPHVNAHC-JOCHJYFZSA-N	502.662	3.264	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514393279	VFHOULJVLUVZKV-UTKZUKDTSA-N	521.661	3.344	0	20	KGAD	
C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	514395112	CPIJKPPTHZUVOT-HOTGVXAUSA-N	506.650	3.343	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1	514403765	PNPPCNVELPOMJU-UHFFFAOYSA-N	535.976	3.108	0	20	KGAD	
O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1	514377416	UVNBQAALJUZWLZ-UHFFFAOYSA-N	551.694	3.052	0	20	KGAD	
CCCn1c(CSc2nnnn2-c2cccc(C)c2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514383633	HUMLMWRYVXSZDD-UHFFFAOYSA-N	527.676	3.352	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(NC(=O)NC2CC2)cc1	514395169	DSPZZYIEVNLQPA-UHFFFAOYSA-N	502.593	3.219	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2)cc1	514405083	ORYAGIPMRSCPRC-UHFFFAOYSA-N	652.113	3.469	0	20	KGAD	
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1	514292122	KUNXIOYQPRHIGE-UHFFFAOYSA-N	539.985	3.081	0	20	KGAD	
COc1cccc(-c2nnc(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccco2)c1	514374972	IUZLGWLNENJQFP-LJQANCHMSA-N	518.661	3.359	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	514377011	WJRBMMDHGAGQBH-OAQYLSRUSA-N	525.718	3.208	0	20	KGAD	
COCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	514385826	WDZDJUKUOZCGQH-NRFANRHFSA-N	535.091	3.401	0	20	KGAD	
COc1ccc(Cl)cc1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514386779	BVSWPWVABYFYMT-UHFFFAOYSA-N	522.929	3.492	0	20	KGAD	
Cc1ccc(OCc2nc(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)cs2)cc1	514390277	DUAKZGDIQWZPTB-UHFFFAOYSA-N	572.709	3.069	0	20	KGAD	
COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3ccc(F)cc3)n1CCN1CCOCC1)CC2	514392159	VADMEXDNTOHLDA-UHFFFAOYSA-N	541.649	3.111	0	20	KGAD	
Cc1nc(SCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)n(C2CCCCC2)c1C	514395502	MBXJAMJPGFUSJJ-UHFFFAOYSA-N	506.694	3.435	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)cc1	514378604	IGAGDPUNCPPYLP-QHCPKHFHSA-N	528.627	3.399	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CSc2nc3ccccc3c(=O)n2[C@@H](C)COC)C2CCCC2)c(O)nc1=O	514385572	MWNCKJWZUFIHKY-KRWDZBQOSA-N	556.689	3.316	0	20	KGAD	
CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1	514387834	MBCUDVXCSXCXJQ-RUZDIDTESA-N	513.704	3.298	0	20	KGAD	
Cc1cc(Br)c(NC(=O)CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)c(Br)c1	514395082	BUVYSMQCVMEHEO-LBPRGKRZSA-N	561.300	3.439	0	20	KGAD	
O=C(/C=C\c1ccc2ccc(Cl)cc2n1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1	912899297	KZZOIPYAMLJSEE-HJWRWDBZSA-N	500.005	3.439	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)N2CCOCC2)cc1	514290960	AQSZRONDLJIUQN-RUZDIDTESA-N	501.649	3.063	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514376822	HOGMYGSIFPJVPI-UHFFFAOYSA-N	580.501	3.417	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(F)c3)CC2)c(C(=O)OC)c1C	514380527	OUVHTWIHANLZCQ-UHFFFAOYSA-N	512.581	3.117	0	20	KGAD	
COCCCn1c(SCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)nnc1-c1ccc(OC)c(OC)c1	514391148	HRENGZRZSLMOHF-OAQYLSRUSA-N	540.642	3.217	0	20	KGAD	
Cn1c(=O)c2c(SCC(=O)Nc3c(F)cc(F)cc3Br)nc(C(C)(C)C)nc2n(C)c1=O	514391409	INUGTWIHZWWQQA-UHFFFAOYSA-N	528.379	3.096	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCOC)C2CCCC2)c(O)nc1=O	514403089	HTEZMKCWHZVRMU-UHFFFAOYSA-N	577.107	3.409	0	20	KGAD	
CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1	514404935	ONXZKXLGUMVUJE-HXUWFJFHSA-N	528.704	3.485	0	20	KGAD	
COCCCN(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1c(O)nc(=O)n(CC(C)C)c1N	514295599	IROWOKJPPRHBPC-UHFFFAOYSA-N	534.617	3.186	0	20	KGAD	
CSC[C@@H](C(=O)Nc1nc(-c2ccc(CCNC(C)=O)cc2)cs1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514301302	ZPLQNVMDJCPSIW-ZVDOUQERSA-N	514.673	3.334	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3cc(Cl)c4c(c3)OCCO4)CC2)cc1	514302697	QJSBJDYHOKIVTG-UHFFFAOYSA-N	509.024	3.270	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)CC2)cc1	514378835	IWTZCKKVCCBLEF-UHFFFAOYSA-N	590.551	3.326	0	20	KGAD	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514383898	NJKHOLFLMOTSFV-LSDHHAIUSA-N	536.459	3.242	0	20	KGAD	
CCOc1ccc(NC(=O)CSc2ccc(S(=O)(=O)N(CC)CC)cn2)cc1S(=O)(=O)N(CC)CC	514386126	DWWYELNUQPISNL-UHFFFAOYSA-N	558.748	3.272	0	20	KGAD	
Cc1cc(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c(C)n1C[C@H]1COc2ccccc2O1	514388270	MWRBSOKTUKMDIG-MSOLQXFVSA-N	517.629	3.280	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CN(C)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	514391522	KHZRAVFORDTMRG-UHFFFAOYSA-N	537.480	3.441	0	20	KGAD	
O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@@H]1c1cccnc1)c1sccc1Cl	1811099265	NOHGROWGONMIJA-KBXCAEBGSA-N	500.005	3.499	0	20	KGAD	
O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514296088	JNFIQYBKPJOKMP-UHFFFAOYSA-N	519.929	3.038	0	20	KGAD	
O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)nc1)N1CCCC1	514298168	ZKXYRBBDOBPCLY-UHFFFAOYSA-N	539.001	3.049	0	20	KGAD	
CN(C)[C@@H](CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccccc1	514375352	OVXHYOUAEIXJKQ-QFIPXVFZSA-N	529.688	3.422	0	20	KGAD	
COc1cc(OC)c(OC)cc1CNC(=O)CSc1nnc(N2CCC(C)CC2)n1C[C@@H]1CCCO1	514394539	YGUMSKIMRHKEKE-IBGZPJMESA-N	519.668	3.128	0	20	KGAD	
C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	514395111	CPIJKPPTHZUVOT-CVEARBPZSA-N	506.650	3.343	0	20	KGAD	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1	514401103	MHQADIHDBCLFDB-UHFFFAOYSA-N	507.556	3.165	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1	514295263	DUZWQPQWQVNCHP-UHFFFAOYSA-N	510.682	3.064	0	20	KGAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)c12	514301649	BNADMYQCVXWOEX-IBGZPJMESA-N	611.668	3.142	0	20	KGAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(C(C)(C)C)cc1	514377585	ANPBJWXGITYKOW-HSZRJFAPSA-N	533.716	3.495	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)CC1	514393264	UWPAQOXQQNIGBB-UHFFFAOYSA-N	514.644	3.451	0	20	KGAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)Nc1ccc(CN2CCOCC2)cc1	514394344	USGSQDCAELURRG-JOCHJYFZSA-N	500.669	3.010	0	20	KGAD	
Nc1nc(Cl)nc2c1ncn2[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1F	38407158	DAPNQNURTIIUNF-AWQBJMPUSA-N	511.897	3.380	0	20	KGAD	
C[C@H](Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)o1)c1ccccc1	514386645	WLEHZYKWHHXWOA-LJQANCHMSA-N	500.646	3.182	0	20	KGAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514392753	ASHPEBRKSDPCSW-NRFANRHFSA-N	548.735	3.353	0	20	KGAD	
CCCn1c(CSc2nnnn2C2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514403155	JLACUJCQNRBDAM-UHFFFAOYSA-N	505.670	3.251	0	20	KGAD	
COc1cc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)ccc1OC(F)F	514294214	ZHJLYLVPALMQPW-INIZCTEOSA-N	534.541	3.483	0	20	KGAD	
CCCCN(C(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514297299	RJEBXCNKECVCCX-UHFFFAOYSA-N	628.752	3.246	0	20	KGAD	
COCCN(C(=O)CSc1nc(C)c(C)n1C1CCCCC1)c1c(O)nc(=O)n(CC(C)C)c1N	514384396	PCIZRCGNZNCLNX-UHFFFAOYSA-N	506.673	3.277	0	20	KGAD	
CSCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514387010	CIRVUKQUQHIWCO-KSZLIROESA-N	522.674	3.179	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	514389531	IVCSQOYTOWLXFW-UHFFFAOYSA-N	505.662	3.095	0	20	KGAD	
CCOc1cc(N[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(OCC)cc1NC(=O)c1ccccc1	514390897	AVXSCIKFTXATPT-MJGOQNOKSA-N	503.621	3.182	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1C1CC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514401064	KVJUMDLJZWIXLC-UHFFFAOYSA-N	569.709	3.083	0	20	KGAD	
CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnc2c(cnn2C(C)C)c1	514401731	CNMSGSRJQRWLOJ-UHFFFAOYSA-N	500.625	3.353	0	20	KGAD	
CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n1CCN1CCOCC1)N(C)C	514303013	IVBXVPOQWTZYDU-RHSMWYFYSA-N	516.499	3.444	0	20	KGAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	514377632	CPDREWIDJDXVLP-UHFFFAOYSA-N	528.675	3.177	0	20	KGAD	
N[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3snnc3c1)CC2)c1cccc(Cl)c1	1815047384	FUHVPRKGMQFFOH-DYVFJYSZSA-N	500.009	3.122	0	20	KGAD	
Cc1ccnc2nc(C(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3OCC(F)(F)F)nn12	514297321	UUNHQRDUHCXYDX-UHFFFAOYSA-N	512.514	3.191	0	20	KGAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)N1CCCCC1	514374936	IIWSYBSNDPRAHV-UHFFFAOYSA-N	519.693	3.186	0	20	KGAD	
COc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1S(=O)(=O)N(C)Cc1ccccc1	514379328	QIDLUZWIXRNOTE-UHFFFAOYSA-N	513.660	3.381	0	20	KGAD	
CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CC1	514382879	BHBYBHKWWLSLCN-UHFFFAOYSA-N	531.082	3.391	0	20	KGAD	
C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)C1=O	514385028	XJSMXPLIVUOLGM-AREMUKBSSA-N	577.059	3.125	0	20	KGAD	
Cc1occc1-c1nnc(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)n1C	514385650	PLVQUJMANUZOMG-UHFFFAOYSA-N	522.553	3.277	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)sc(C(=O)NC)c1C	514394906	WAFFBMPIESYZQO-CQSZACIVSA-N	513.663	3.002	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1	514379064	NQWSPQUSCQMXDV-UHFFFAOYSA-N	514.604	3.313	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c(O)nc1=O	514379126	MNDYFURGWYLDKI-AFMDSPMNSA-N	531.654	3.440	0	20	KGAD	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514383893	NJKHOLFLMOTSFV-CABCVRRESA-N	536.459	3.242	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	514388220	RCBYWCCVSVPMDO-UHFFFAOYSA-N	544.070	3.110	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1S(=O)(=O)N1CCOCC1	514388619	RIBGSRFQDYJYRX-UHFFFAOYSA-N	501.435	3.275	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)n1-c1ccc(F)cc1)N(C)C	514402498	AKJLUYJTPUSMSV-QGZVFWFLSA-N	546.694	3.351	0	20	KGAD	
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514377448	VVRUHFGBQHIHIE-UHFFFAOYSA-N	542.441	3.262	0	20	KGAD	
COc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514379660	CHFFFPTWSGBTDH-CZUORRHYSA-N	513.538	3.338	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1	514386541	RPPZZBVREGYPJH-UHFFFAOYSA-N	526.040	3.150	0	20	KGAD	
COc1ccc(CC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1S(=O)(=O)N1CCOCC1	514387932	JQGXUESSIBTWBP-UHFFFAOYSA-N	507.659	3.068	0	20	KGAD	
Cc1oc(C(=O)N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1	514402529	BSRPZFPQTSDMDY-HHHXNRCGSA-N	550.681	3.188	0	20	KGAD	
COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C	514291318	DANLWGADCKGZIG-UHFFFAOYSA-N	512.632	3.376	0	20	KGAD	
CC[C@H](c1nnc(SCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)n1CCN1CCOCC1)N(C)C	514291461	FLMBNXZKGPXZBN-XMMPIXPASA-N	604.847	3.460	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)c(C(=O)OC)c1C	514293595	WAWXDPBRGROBOM-UHFFFAOYSA-N	512.650	3.037	0	20	KGAD	
CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1	514300460	PPZHZWYCNJUHPL-UHFFFAOYSA-N	579.619	3.434	0	20	KGAD	
COCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2ccccc2c1=O	514375939	XFCMXTGEDCYJGW-UHFFFAOYSA-N	530.672	3.338	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(S(=O)(=O)N(CC)CC)cc3)CC2)cc1	514378107	ROSYCITZPVIWMC-FQEVSTJZSA-N	579.741	3.172	0	20	KGAD	
COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1Br	514380919	REJNSFGUHGTHDP-UHFFFAOYSA-N	519.439	3.442	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1	514383873	NGSNWDOHOFHDCS-UHFFFAOYSA-N	574.704	3.457	0	20	KGAD	
CCCn1c(CSCC(=O)N[C@H]2CCCC[C@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514400916	FAEMQWSMPJZRPU-QUCCMNQESA-N	508.710	3.395	0	20	KGAD	
O=C(CSc1ccncc1)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)c4nncn4c3)sc2C1	1819676065	NAUPHXRFPLVJPT-CYBMUJFWSA-N	500.009	3.252	0	20	KGAD	
O=C(c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1	514295280	BHVWXXRIQGVOLU-LJQANCHMSA-N	512.415	3.258	0	20	KGAD	
O=C(Cn1ncc(Br)c(Br)c1=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	514303005	IJJPCTBHGDGZEJ-UHFFFAOYSA-N	513.186	3.125	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)o2)cc1OC	514384028	JYRFSMJTBPTENQ-HNNXBMFYSA-N	509.631	3.123	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	514388113	OYSOXPUQHGHAHP-QHCPKHFHSA-N	530.643	3.110	0	20	KGAD	
COc1ccc([C@H](CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)N2CCOCC2)cc1OC	514395600	OGFMQBYSHJGGCS-REWPJTCUSA-N	596.544	3.057	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(=O)[nH]c1=O	15324331	OEOCWGXSPNXNHE-QFIPXVFZSA-N	522.602	3.332	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)c(C(=O)OC)c1C	514377337	RMWIDQCIQIDCHH-UHFFFAOYSA-N	545.035	3.331	0	20	KGAD	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c(O)nc1=O	514377802	JWBQSSGFZMLKSP-UHFFFAOYSA-N	644.072	3.484	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1	514380027	HUFFUWADHJKBLL-UHFFFAOYSA-N	590.949	3.036	0	20	KGAD	
CCOc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1S(=O)(=O)N1CCCCC1	514382595	RLEQLNKOGZFCJC-UHFFFAOYSA-N	581.713	3.118	0	20	KGAD	
C[C@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	514387950	KESZMWAWNLAKGF-HKUYNNGSSA-N	504.703	3.299	0	20	KGAD	
COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc(OC)c1OC	514389976	UFVVJWJWDZFMEL-UHFFFAOYSA-N	532.537	3.328	0	20	KGAD	
Cc1ccc(NC(=O)Cc2nc(CSc3nnc(CCC(N)=O)n3C[C@@H]3CCCO3)cs2)cc1	514395823	UTTQMILRRHPWHY-SFHVURJKSA-N	500.650	3.113	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1	514296849	QUCUPGDFKFQAHZ-HXUWFJFHSA-N	579.741	3.157	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299874	JQPNBGSIGNKQLA-OALUTQOASA-N	559.735	3.223	0	20	KGAD	
COc1ccccc1[C@@H](CNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)N1CCCC1	514379630	BJZSDNPVTWWSIT-DHIUTWEWSA-N	505.706	3.357	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1	514381050	ZTQCSWCQOGGWJI-RUZDIDTESA-N	568.652	3.498	0	20	KGAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc3c(c2)OCCCO3)CC1	514383315	GMAIQUIBSLDSIN-UHFFFAOYSA-N	514.648	3.027	0	20	KGAD	
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1	514390409	JAUWDLVKNLJVPT-IBGZPJMESA-N	540.715	3.030	0	20	KGAD	
COc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514394383	LRYTYRWAOWTODO-YLJYHZDGSA-N	503.621	3.180	0	20	KGAD	
CCc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)N(C)C)cc1	514404779	MLGXHKYUKSMOGK-DEOSSOPVSA-N	515.676	3.230	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	514292881	NUOBKRAHDHTBMQ-UHFFFAOYSA-N	514.467	3.291	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1	514301146	XHCFAIBYVGKSQQ-UHFFFAOYSA-N	509.650	3.079	0	20	KGAD	
COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1	514301677	BXEFQSROOMUOHV-HNNXBMFYSA-N	564.513	3.346	0	20	KGAD	
Cc1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c2c(C)c(C)sc2n1	514374673	DXDQPIPRJAJJHY-UHFFFAOYSA-N	577.754	3.205	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)c1	514378628	GEBMHZHWYRHNNJ-UHFFFAOYSA-N	604.799	3.416	0	20	KGAD	
CC(C)n1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc2ccccc2c1=O	514385393	GXJQXHYEPKBHAA-UHFFFAOYSA-N	527.093	3.318	0	20	KGAD	
COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2)C1	514389043	XSRBLSUZCYWEKX-QGZVFWFLSA-N	537.660	3.046	0	20	KGAD	
Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C	514390452	KJGOWIILFUHILS-NHCUHLMSSA-N	535.670	3.422	0	20	KGAD	
COc1cc(CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC	514401036	JWDKUOKQJQOTET-KRWDZBQOSA-N	547.493	3.191	0	20	KGAD	
CCCCn1c(SCC(=O)NCc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293823	YQPGBBPXYNJEPD-UHFFFAOYSA-N	508.691	3.327	0	20	KGAD	
Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1Cc1ccccc1	514298811	GVLNWGNNHRQWJP-UHFFFAOYSA-N	556.533	3.084	0	20	KGAD	
CCOc1cc(Br)c(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1OCC	514299573	FVHCPBYTCPEKGS-UHFFFAOYSA-N	557.463	3.457	0	20	KGAD	
COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	514380331	HZFOTRFWPCQSEU-OKILXGFUSA-N	519.439	3.056	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO2)cc1	514382709	AYMIJEZDZPFFAT-IRLDBZIGSA-N	534.704	3.183	0	20	KGAD	
Cc1cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc(S(=O)(=O)N(C)C)c1C	514382851	WWQQZMHLKQRLQX-UHFFFAOYSA-N	500.484	3.336	0	20	KGAD	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	514386141	FUBXFDDVZWHXOZ-OAQYLSRUSA-N	532.091	3.011	0	20	KGAD	
CC(C)CCn1c(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3	514389008	XHYOMGRVQVDBBC-ARFHVFGLSA-N	511.735	3.413	0	20	KGAD	
CCCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)nc2cc(S(N)(=O)=O)ccc21	514395149	DGJSLCKHQWRMCC-LSDHHAIUSA-N	504.634	3.223	0	20	KGAD	
O=C(NC[C@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@@H]1c1cccnc1)c1sccc1Cl	1811099271	NOHGROWGONMIJA-RDTXWAMCSA-N	500.005	3.499	0	20	KGAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514290802	ABGFUYZSCHDHCL-NRFANRHFSA-N	561.661	3.015	0	20	KGAD	
CCSc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)s1	514293428	ROMUBAGEDOGEPP-UHFFFAOYSA-N	529.735	3.002	0	20	KGAD	
C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1cccc2ccccc12	514298813	GXMIARLXWNPXAE-FQEVSTJZSA-N	509.628	3.188	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1	514303775	ZAFPHIPNOLXMCI-SFTDATJTSA-N	558.701	3.052	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1ccc(Cl)cc1)N(C)C	514375146	LXSKYTVGEHAVKJ-MRXNPFEDSA-N	503.028	3.213	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(C)cc2C)c(C(=O)OC)c1C	514380943	SLAHRGLNTCCHGY-MRXNPFEDSA-N	528.674	3.285	0	20	KGAD	
CCn1c(SCc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)nc2sc3c(c2c1=O)CCCC3	514384782	WXRCVGDMLJTYPC-UHFFFAOYSA-N	560.679	3.449	0	20	KGAD	
CC(C)c1ccc(CN2CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c3ccccc3Br)CC2)cc1	514387437	MUSGUSIZJGIJSD-DEOSSOPVSA-N	564.546	3.450	0	20	KGAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1	514290812	BZUQJMOXCGYSRM-FQEVSTJZSA-N	566.709	3.231	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514297835	XYARXVQZICPRPR-NHCUHLMSSA-N	609.767	3.422	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)cc1F	514300910	SMVDHYGPCMPLSQ-UHFFFAOYSA-N	510.031	3.233	0	20	KGAD	
COc1ccccc1[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)N1CCCC1	514378706	VNKSBCHAMGDCNB-VWLOTQADSA-N	513.660	3.252	0	20	KGAD	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	514379232	QCXRZPOWMKFBJL-INIZCTEOSA-N	512.053	3.368	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514380510	MAQOGRFWXICHNW-KRWDZBQOSA-N	523.055	3.421	0	20	KGAD	
CC(C)CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	514387729	JILPILWOKTYYDZ-IBGZPJMESA-N	531.704	3.390	0	20	KGAD	
COc1cc(-c2nnc(CN3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)o2)cc(OC)c1OC	514401261	QWSXSFYDKOJYSV-UHFFFAOYSA-N	542.536	3.288	0	20	KGAD	
COc1ccc(NC(=O)CSCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1	514293613	UAUQNVBQAALATE-UHFFFAOYSA-N	507.634	3.189	0	20	KGAD	
COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1	514295124	GZBYTLYRWBYORC-IAGOWNOFSA-N	531.660	3.113	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccc(Br)cc3)cc2)C[C@H](C)O1	514295156	HHGXSOPMTPYAPK-HOTGVXAUSA-N	524.437	3.006	0	20	KGAD	
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514379174	OJNLIWDFOVXRMD-UHFFFAOYSA-N	565.661	3.017	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514391270	FVGRLMPZOQBMPR-UHFFFAOYSA-N	539.702	3.440	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1	514391822	OZYWGZSATDLBGD-UHFFFAOYSA-N	540.344	3.185	0	20	KGAD	
CCOC(=O)c1c(C)csc1NC(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1	514380223	JUJHPQNYOQOBIZ-UHFFFAOYSA-N	572.683	3.216	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)ccc1Cl	514384679	SZJBGZUKNVPWLD-CQSZACIVSA-N	500.042	3.333	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)nc1	514384976	VZYNVVBWWNFXNJ-UHFFFAOYSA-N	518.583	3.320	0	20	KGAD	
NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1	514390614	QPLSQZDEJNUEHH-UHFFFAOYSA-N	521.064	3.454	0	20	KGAD	
N=[S@](=O)(O)c1ccc(CNC(=S)/C(=C(/O)c2ccc3c(c2)OCCO3)[n+]2cccc(O)c2)cc1	726570951	OJLJMSWIPOYNDW-UHFFFAOYSA-O	500.578	3.331	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)CC1	514290783	BJOXKRBFRUZGCY-DNQXCXABSA-N	690.848	3.020	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c(O)nc1=O	514295163	HJPMROPSTKUSAG-UHFFFAOYSA-N	510.620	3.392	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Br)ccc3N3CCOCC3)CC2)cc1OC	514301255	YTNJAWIDPYIPJG-UHFFFAOYSA-N	568.490	3.342	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)c(O)nc1=O	514380172	XYNGMXMPEWPOIR-UHFFFAOYSA-N	537.683	3.110	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)cc1	514381704	OQCIFJGYFLJQFI-NRFANRHFSA-N	580.773	3.075	0	20	KGAD	
CCCCN1C(=O)CC[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)[C@H]1c1ccc(OC)cc1	514381935	BMDDVSUDJBAMIV-WNCULLNHSA-N	559.685	3.443	0	20	KGAD	
O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1	514390401	IWUNBMRUDDCSMU-RUZDIDTESA-N	552.722	3.348	0	20	KGAD	
CCCCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514400970	HGBFUOJRHAWGPV-SFHVURJKSA-N	534.708	3.327	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1cc(Br)ccc1Cl	514295583	FHBOCDIWQUJBRV-UHFFFAOYSA-N	544.855	3.212	0	20	KGAD	
COc1ccc(CCC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3)CC2)cc1	514382086	FXLGENAVBBQIHU-UHFFFAOYSA-N	513.660	3.033	0	20	KGAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	514392933	HZGNCGSIFIHVII-XMMPIXPASA-N	584.768	3.226	0	20	KGAD	
COc1cc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC	514401037	JWDKUOKQJQOTET-QGZVFWFLSA-N	547.493	3.191	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)CC2)cc1	514401836	GJUYESBNQWJUBO-RUZDIDTESA-N	534.078	3.133	0	20	KGAD	
CCn1c(CSc2nnc(-c3ccoc3C)n2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293106	RQGSMZQSJPBMQZ-UHFFFAOYSA-N	502.622	3.066	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1CCN1CCOCC1)N(C)C	514293805	SZLOZVWQPOMLGT-HXUWFJFHSA-N	605.131	3.131	0	20	KGAD	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1	514295627	LPSPBGBGAUYOEX-OALUTQOASA-N	533.622	3.267	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(O)n2C[C@H]2CCCO2)sc2c1CC(C)(C)NC2(C)C	514297162	OBSKKDMLDQDJJU-CYBMUJFWSA-N	523.681	3.291	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(O)n2C[C@@H]2CCCO2)sc2c1CC(C)(C)NC2(C)C	514297164	OBSKKDMLDQDJJU-ZDUSSCGKSA-N	523.681	3.291	0	20	KGAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1	514377879	MOCQZIARDZHZSB-UHFFFAOYSA-N	562.692	3.359	0	20	KGAD	
CCCn1c(CSc2nnc(-c3ccncc3)o2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514381914	XFWXRBYCSPWTEO-UHFFFAOYSA-N	500.606	3.205	0	20	KGAD	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCC(=O)OC(C)C)ccc2OC)cc1Cl	514389918	RLMHZUQQSUBWDX-UHFFFAOYSA-N	514.984	3.238	0	20	KGAD	
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)Cc2nc(O)c3cc(OC)c(OC)cc3n2)cc1	514401555	YXULYFRVECRKLQ-HNNXBMFYSA-N	502.593	3.092	0	20	KGAD	
COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]2c2ccccc2OC)cc1	514404669	IASYHMFHMABZTP-JYFHCDHNSA-N	501.587	3.327	0	20	KGAD	
COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ncccn4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1	514291613	HLGPXPLBDBNUAD-AOYPEHQESA-N	501.587	3.327	0	20	KGAD	
CCOc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1OCC	514297229	QTCLRAWKUPRSOG-UHFFFAOYSA-N	532.663	3.156	0	20	KGAD	
CCCCn1c(CCC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21	514301619	AXSZICDCLWHEJC-PMACEKPBSA-N	521.728	3.023	0	20	KGAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCC)c1c(O)nc(=O)n(CC(C)C)c1N	514374666	FPTJFJBTIJMGIF-UHFFFAOYSA-N	514.652	3.232	0	20	KGAD	
CCN(CC)CCn1c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)nc2ccccc21	514379972	XMTYFBYCHQNXNB-UHFFFAOYSA-N	512.680	3.481	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NC[C@@H](c1ccco1)N1CCCCC1	514295913	GMJXGOSLGBWLIA-VWLOTQADSA-N	580.773	3.246	0	20	KGAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CSCC1=O	514296611	SMUNXNMXUPBWHD-UHFFFAOYSA-N	505.618	3.134	0	20	KGAD	
COc1ccc(NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1S(=O)(=O)N1CCOCC1	514303800	ZLJIPFSQZUNBFP-UHFFFAOYSA-N	641.768	3.280	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1	514383063	BZLDDMAZFDCKAR-BJKOFHAPSA-N	546.784	3.406	0	20	KGAD	
CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nnc1-c1cccc(Cl)c1	514386537	RLWXEBISXDIJPR-UHFFFAOYSA-N	566.105	3.261	0	20	KGAD	
O=C(CCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)Nc1ccc(N2CCCC2=O)cc1	514387204	KTMKKPKXGVFFAC-UHFFFAOYSA-N	525.458	3.455	0	20	KGAD	
COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2cc(I)c(=O)c(I)c2)c1	514389785	MMNRBFUSICZTGN-INIZCTEOSA-N	594.187	3.438	0	20	KGAD	
COc1ccc(NC(=O)CSCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl	514392591	YQSXZFNGPAULLC-UHFFFAOYSA-N	501.026	3.120	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)[C@@H]1CCS(=O)(=O)C1	514395225	FWZHRMIEZNEJIQ-XJKSGUPXSA-N	510.041	3.081	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1CCN1CCOCC1)N(C)C	514294422	ZGOORIVLUPSYEL-SFHVURJKSA-N	500.591	3.373	0	20	KGAD	
CCN(C(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514374916	IEMWFOHCWLMZCO-HXUWFJFHSA-N	500.646	3.282	0	20	KGAD	
O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514377481	XVHPEDUNIPPUEK-VWLOTQADSA-N	530.691	3.248	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	514380225	JVLIANBSAKFVTL-UHFFFAOYSA-N	507.918	3.439	0	20	KGAD	
C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514382644	UBICNWKCZLBISG-HXUWFJFHSA-N	581.661	3.463	0	20	KGAD	
O=C(CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)CC1)N1CCCCCC1	514387559	JPONAHMVTOJOHU-UHFFFAOYSA-N	519.067	3.301	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)c(O)nc1=O	514300445	OZLFTIBHQXXPKR-LJQANCHMSA-N	533.695	3.370	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1	514376949	VFWPBBQOHVSLGL-UHFFFAOYSA-N	578.757	3.289	0	20	KGAD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cc2)C1	514381954	BXFDWNZNPOPYOH-IBGZPJMESA-N	519.067	3.157	0	20	KGAD	
O=C(CN1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1)Nc1ccc(OC(F)(F)F)cc1	514384164	NHEXMPLUEUJMJT-LJQANCHMSA-N	501.933	3.372	0	20	KGAD	
Cn1c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2	514386031	AXNIBYOKJCMQOS-RBUKOAKNSA-N	551.804	3.118	0	20	KGAD	
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	514386427	ORHBVVIUZMQDQU-UHFFFAOYSA-N	539.655	3.169	0	20	KGAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1	514393848	NAQYQWMMSOXBAQ-INIZCTEOSA-N	544.493	3.175	0	20	KGAD	
CNC(=O)c1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc1	514402703	LAIYEQCJAXJPRC-UHFFFAOYSA-N	512.676	3.483	0	20	KGAD	
O=C(CCCc1nc(O)c2ccccc2n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514404334	CEVRVSQMFGHGRD-UHFFFAOYSA-N	539.658	3.308	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C)n2C	514404422	GZPHHLBGARMZLP-UHFFFAOYSA-N	549.719	3.042	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1	514376354	JDXZPYBSDVACKD-UHFFFAOYSA-N	544.095	3.010	0	20	KGAD	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1Br	514380354	IESAFVIWZCNGED-ZIAGYGMSSA-N	519.439	3.056	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1	514296026	NTJHLDJBKHQXCZ-LPHOPBHVSA-N	539.676	3.063	0	20	KGAD	
COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N3CCC[C@@H](C)C3)c2=O)ccc1OC(F)F	514298230	XNTPFMMDPZDGHY-MRXNPFEDSA-N	522.614	3.003	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1	514300466	VKINVGMUWKAICG-UHFFFAOYSA-N	551.687	3.112	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1	514404258	AGMIVBBDVRKFOP-MRXNPFEDSA-N	546.509	3.025	0	20	KGAD	
O=C(CSc1ncccn1)N[C@H]1CCc2nc(NC(=O)c3cn4cc(Cl)ccc4n3)sc2C1	1818113669	QHFVOAYKPGWBRM-ZDUSSCGKSA-N	500.009	3.252	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	514290983	ATJJPXAQDBOXCU-OAHLLOKOSA-N	503.477	3.370	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(O)nc1=O	514293452	QYJWDRPPSODKPE-FQEVSTJZSA-N	590.747	3.160	0	20	KGAD	
CCCCN(C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CCC)[C@@H]1CCS(=O)(=O)C1	514293513	VDKNCQZPIPBCBP-MRXNPFEDSA-N	530.510	3.477	0	20	KGAD	
Cc1c(NC(=O)CSCC(=O)N2CCN(Cc3ccc(Br)s3)CC2)c(=O)n(-c2ccccc2)n1C	514298567	AQHFAYPXKXAWEY-UHFFFAOYSA-N	578.558	3.325	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)NC3CC3)n2CCc2ccccc2)c1	514374510	DNMGJOSDVCSLCJ-UHFFFAOYSA-N	556.714	3.299	0	20	KGAD	
CCCOc1ccc(C(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1OCCC	514381624	LPWDMGPGRITTST-UHFFFAOYSA-N	510.591	3.450	0	20	KGAD	
CCCn1c(=O)n(C)c(=O)c2c(S[C@@H](C)C(=O)Nc3cc(NC(C)=O)ccc3OC)nc(C(C)C)nc21	514395612	OMSPBKRZBPMGSI-AWEZNQCLSA-N	528.635	3.110	0	20	KGAD	
COc1ccccc1-n1c(S[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514404584	IRTXHEGABAHDFN-JKSUJKDBSA-N	547.724	3.461	0	20	KGAD	
CCc1c(C)sc2nc(SCC(=O)Nc3nc(CC(=O)OC)cs3)n(C[C@@H]3CCCO3)c(=O)c12	514291412	DYHBLYGZHYBKAC-AWEZNQCLSA-N	522.674	3.411	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC[C@@H]3CCCO3)n2CC(C)C)c1	514291594	GUYSAJFJOZDYQJ-IBGZPJMESA-N	509.698	3.019	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)c(O)nc1=O	514294715	AVDICILUEJYTDC-AZUAARDMSA-N	563.721	3.500	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(OC(F)F)c(OC)c3)CC2)cc1	514300000	KGNXCKVDOZWQGF-UHFFFAOYSA-N	526.558	3.190	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1	514300013	KTOUZNIVQGZOML-UHFFFAOYSA-N	582.478	3.205	0	20	KGAD	
CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)nc1-c1ccccc1	514387083	AZPCQHRPDVGYLK-UHFFFAOYSA-N	586.692	3.097	0	20	KGAD	
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	514388685	WHMUSEDRPAMICK-UHFFFAOYSA-N	560.525	3.244	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)CC1	514388958	WKJOJKLURDGYHK-UHFFFAOYSA-N	503.408	3.096	0	20	KGAD	
COc1cccc(-n2c(S[C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)nc3sc4c(c3c2=O)CCC4)c1	514395244	GFZJDHBQRLMLCE-LSDHHAIUSA-N	512.657	3.149	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1ccc2oc(O)nc2c1)c1c(O)nc(=O)n(CCCC)c1N	514401988	IIVOWJDMLQRFEE-UHFFFAOYSA-N	500.556	3.120	0	20	KGAD	
CCOc1ccc(-n2ncc(C(=O)Nc3ccc(OCC)c(S(=O)(=O)N(CC)CC)c3)c2C)nn1	514402037	KCQSCAWAYOEZHF-UHFFFAOYSA-N	502.597	3.051	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	514403053	QAZQJYXXFVRHLA-UHFFFAOYSA-N	525.718	3.085	0	20	KGAD	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514294716	ABLILTBGHRAUHS-UHFFFAOYSA-N	576.741	3.125	0	20	KGAD	
CCOC(=O)c1c(C)oc2nc(CSc3nc4cc(C(=O)OC)ccc4c(=O)n3CCCOC)nc(N)c12	514297293	PGORIJWFZTWXFI-UHFFFAOYSA-N	541.586	3.115	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)c1	514298114	YEUNLOPPMQJMLL-UHFFFAOYSA-N	552.719	3.265	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3nc4cc(OC)c(OC)cc4s3)CC2)c(C(=O)OC)c1C	514299495	GNFZRHBDCPWYNJ-UHFFFAOYSA-N	597.693	3.296	0	20	KGAD	
COc1ccc(C(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)cc1S(=O)(=O)NC1CCCC1	514382307	IQHCSEBIWQJFFS-UHFFFAOYSA-N	525.675	3.139	0	20	KGAD	
COc1ccccc1-n1cnnc1SCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	514390635	RIWXGKKZUKBLCD-UHFFFAOYSA-N	513.645	3.132	0	20	KGAD	
CC(C)[C@H](NC(=O)Cn1ncc(Br)c(Br)c1=O)c1ccc2c(c1)OCCCO2	514393977	DHJFFYFVXCEPRM-SFHVURJKSA-N	515.202	3.443	0	20	KGAD	
O=C(CSc1ncccn1)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c4nccc-4c3Cl)sc2C1	1816879807	BHVIZBRREKOULC-LLVKDONJSA-N	500.009	3.433	0	20	KGAD	
COC(=O)c1ccc(Cl)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1	514297406	VYHIHFQTBAQOPD-UHFFFAOYSA-N	522.023	3.390	0	20	KGAD	
CCN1CCN(c2ccccc2NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)CC1	514299259	IWBCPAAMOCTFTE-UHFFFAOYSA-N	526.707	3.317	0	20	KGAD	
CCOc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc(OCC)c1OCC	514380182	YQZNHLYBMDSILE-UHFFFAOYSA-N	520.633	3.034	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cccc(I)c2)c(C(=O)OC)c1C	514380556	NAJCOLVNAMSVMY-AWEZNQCLSA-N	626.516	3.273	0	20	KGAD	
CCOCCCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccc(Br)cc2c1=O	514381551	IWDIYSPYWBIKNS-UHFFFAOYSA-N	625.567	3.337	0	20	KGAD	
O=C(CSCc1nc(O)c2c3c(sc2n1)CCC3)N1CCC(NS(=O)(=O)c2ccccc2)CC1	514393393	ZFECGGDJXQDBES-UHFFFAOYSA-N	518.686	3.088	0	20	KGAD	
CCn1c(CCC(=O)NCCSCc2ccc(C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514404716	KAAHIGLJCNWEIR-UHFFFAOYSA-N	530.716	3.368	0	20	KGAD	
N[C@@H](CCCCNC(=O)c1ccc(C2c3ccc(O)cc3Oc3cc(O)ccc32)c(C(=O)O)c1)C(=O)O	514287212	ZWCFWQFBPVPAEN-NRFANRHFSA-N	506.511	3.394	0	20	KGAD	
CCn1c(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)nc2ccccc2c1=O	514292464	MLNZNTOLHNQOLL-UHFFFAOYSA-N	513.645	3.099	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1N1CCCCC1)n2C	514292656	NNGWAVGPWMSQPD-UHFFFAOYSA-N	646.836	3.186	0	20	KGAD	
COCCN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1)c1c(O)nc(=O)n(CC(C)C)c1N	514299779	IDWSDOAJJNOLSL-UHFFFAOYSA-N	530.651	3.306	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3Cc4ccccc4C[C@@H]3C(=O)OC)n2[C@@H](C)COC)c1	514303406	MDVRJMSDZFNHHY-NBGIEHNGSA-N	615.778	3.402	0	20	KGAD	
COc1ccc([C@H](CC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC	514303607	XGPXFIRANFORKQ-PMERELPUSA-N	665.813	3.149	0	20	KGAD	
CCCCn1c(SCC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376310	HGTXHDJIVHAMSZ-UHFFFAOYSA-N	623.779	3.234	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1	514379628	BITMBIUMGOZXGV-UHFFFAOYSA-N	521.583	3.174	0	20	KGAD	
Cc1nn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c(C)c1S(=O)(=O)N1CCOCC1	514385662	PSTRBJABKQBJHF-OAQYLSRUSA-N	532.022	3.145	0	20	KGAD	
O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514402694	KVTFUKLHVFPBIQ-UHFFFAOYSA-N	538.717	3.162	0	20	KGAD	
C[C@@H](NC(=O)CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)c1ccc(Br)cc1	514402982	OCVMZJRCKNWUQT-QAPCUYQASA-N	510.458	3.026	0	20	KGAD	
Cc1cn2c(=O)c(C(=O)N3CC4(CCCN4C(=O)c4cc5c(Cl)cncc5s4)C3)cnc2s1	1843123065	QOUYPFFGZVUOQX-UHFFFAOYSA-N	500.005	3.458	0	20	KGAD	
CCOc1ccc(CN(CCCN(C)C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1OCC	514292821	NIIBEFXVYXVTFA-UHFFFAOYSA-N	576.760	3.165	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(COc2ccccc2Cl)n1C)c1c(O)nc(=O)n(CC(C)C)c1N	514293576	VUBZTWZZYXEBKV-UHFFFAOYSA-N	550.085	3.329	0	20	KGAD	
CCCCSc1nnc(S[C@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)s1	514395185	FEOGJBRPFIWSFV-CYBMUJFWSA-N	516.715	3.235	0	20	KGAD	
COCCCn1c(S[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nc2cc(C(=O)OC)ccc2c1=O	514395350	IRHXBXSTGQWPLO-DENIHFKCSA-N	538.670	3.091	0	20	KGAD	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4cc(S(=O)(=O)N5CCCCC5)ccc43)CC2)cc1	514379346	SNUXPHUPZDGCEJ-UHFFFAOYSA-N	588.752	3.371	0	20	KGAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)NCC1(N2CCOCC2)CCCCC1	514385750	TUVRZSFCKGRWRZ-IBGZPJMESA-N	505.710	3.429	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3nc(CN4CCCCC4)cs3)CC2=O)cc1	514298837	HYTMIIXBTFEXHV-SFHVURJKSA-N	519.693	3.151	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514302175	CXCIYIAYJOWTIP-JOCHJYFZSA-N	596.758	3.266	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1	514394553	YMEKFLCOGWYBJX-UHFFFAOYSA-N	523.677	3.218	0	20	KGAD	
COc1ccc(CCNC(=O)CSc2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)s2)cc1OC	110021044	NIHUSSKTGVBZPL-UHFFFAOYSA-N	592.765	3.475	0	20	KGAD	
CCOC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1	514294722	AXHPDFIJBHZPRW-UHFFFAOYSA-N	520.658	3.386	0	20	KGAD	
COc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514299942	LKAMBPWRBHLCDA-OYRHEFFESA-N	556.729	3.375	0	20	KGAD	
CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(OC)cc1)N(C)C	514374903	HREIWCGXPCGXGK-CYFREDJKSA-N	588.756	3.429	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c1	514376131	CMVCFTGWQZCDLR-SQHAQQRYSA-N	576.716	3.222	0	20	KGAD	
CCCCn1nnnc1CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC	514383934	NVZQTLICGJEVNJ-KRWDZBQOSA-N	522.701	3.262	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)c1	514391867	RTWAXPFXGVGYHT-UHFFFAOYSA-N	522.674	3.494	0	20	KGAD	
CO[C@]1(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)O[C@H](CO[C@@]2(c3ccc(Cl)c(Cc4ccc(O[C@H]5CCOC5)cc4)c3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	2048529121	JAXZBIUMLVOLEA-RSZALCOUSA-N	929.840	3.135	0	20	KGAD	
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1	514376534	CCOSMAHLRSAQDS-MRXNPFEDSA-N	532.109	3.111	0	20	KGAD	
Cn1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2	514386030	AXNIBYOKJCMQOS-OALUTQOASA-N	551.804	3.118	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	514389601	KUBGSVGNLOYGJH-UHFFFAOYSA-N	553.653	3.129	0	20	KGAD	
CC(C)[C@H](NC(=O)Cn1cc(I)c(=O)c(I)c1)c1ccc2c(c1)OCCO2	514402677	KOJYETKFMRHWIG-SFHVURJKSA-N	594.187	3.342	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514290852	CIBWVSZWPWFGHD-JYFHCDHNSA-N	661.872	3.339	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)n1CCN1CCOCC1)N(C)C	514300719	RJTPNXZOTHGVOJ-QFIPXVFZSA-N	526.711	3.156	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(NC(=O)C2CCOCC2)c1	514383687	IRPANHWOZMFSAJ-UHFFFAOYSA-N	530.691	3.417	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1	514386823	DJTWGIFVPOPXBZ-UHFFFAOYSA-N	516.542	3.186	0	20	KGAD	
CCn1c(SC[C@H](O)COCc2ccc(Cl)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514386887	HMWUNQISCLNGRD-LJQANCHMSA-N	526.080	3.400	0	20	KGAD	
O=C(COc1ccccc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccc(Br)cc1	514393967	DCHQBGQSHJMTOP-SFHVURJKSA-N	530.419	3.178	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCN(C(=O)C(C)C)CC1	514301613	ATQRBQRZMXUTOG-MRXNPFEDSA-N	530.034	3.086	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)CC1	514376812	HCOUXXQLJXDTFQ-QHCPKHFHSA-N	571.696	3.137	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514379153	NKLYPSQJEHFDRW-UHFFFAOYSA-N	593.747	3.082	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nncn1-c1ccccc1F	514404172	AUTULVSXUJXTFT-UHFFFAOYSA-N	548.666	3.004	0	20	KGAD	
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1cc(Cl)cc(Cl)c1	514295530	CAPWUZSHUSZJMI-QGZVFWFLSA-N	550.486	3.406	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)CC2)c(C)c1	514378249	CWOBBVUUGMUDPZ-UHFFFAOYSA-N	556.106	3.017	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1CCCOC)[C@H]1CCS(=O)(=O)C1	514387378	FJBRINLYHMQLDI-CVEARBPZSA-N	501.074	3.151	0	20	KGAD	
COc1ccc(N2C(=O)C[C@H](N3CCN(CC(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)C2=O)cc1Cl	514388228	RJDCYKNHUMVTDM-IBGZPJMESA-N	540.926	3.135	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)n2C	514291736	GUHGEFPTQLFZFQ-VWLOTQADSA-N	541.718	3.498	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)c(F)c1	514295314	CROWVRIYIMKQOR-UHFFFAOYSA-N	515.604	3.227	0	20	KGAD	
CCN(C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1F)[C@@H]1CCS(=O)(=O)C1	514375365	OBQZOYYNNWOCDN-QGZVFWFLSA-N	564.661	3.227	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1S(=O)(=O)N(C)C	514376927	UDGCSIMBUWFYIP-UHFFFAOYSA-N	509.650	3.071	0	20	KGAD	
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1S(=O)(=O)N1CCCCC1	514377747	HNSHSWGFMUHXQD-UHFFFAOYSA-N	606.767	3.133	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514384097	LILXCUXAFIAFOX-KRWDZBQOSA-N	520.652	3.355	0	20	KGAD	
COc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514394382	LRYTYRWAOWTODO-XLIONFOSSA-N	503.621	3.180	0	20	KGAD	
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1	514394589	OUOLVEJTTFJRFY-USCONSEESA-N	532.615	3.460	0	20	KGAD	
c1cc(-c2nn[nH]n2)ccc1C(=C(c1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2nn[nH]n2)cc1	2048532543	DVKHXGSRMCOASY-UHFFFAOYSA-N	604.602	3.414	0	20	KGAD	
COc1cc2c(c(OC)c1OC)-c1c3cc4c(c1OC[C@H](C)[C@](C)(O)C(=O)O[C@H]2[C@@](C)(O)[C@H](C)C3)OCO4	257566545	VLLFEMVDMFTBHG-FBHORCGISA-N	530.570	3.415	0	20	KGAD	biogenic
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	514298116	YFFVEJCYOQYBMT-QFIPXVFZSA-N	575.709	3.239	0	20	KGAD	
COc1cccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1OC	514299947	LSIOKLZNNRLALA-UHFFFAOYSA-N	517.648	3.286	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(N2CCCC2=O)cc1	514376997	WDEUMLNFUMCPLT-UHFFFAOYSA-N	512.632	3.077	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCCc2nc(C(C)(C)C)no2)c1	514401678	BVONSLUURPVTAP-UHFFFAOYSA-N	507.657	3.196	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(Cc3ccsc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514404562	IJOJNVNDDPFLAQ-UHFFFAOYSA-N	517.721	3.425	0	20	KGAD	
CC(C)CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)[C@@H]1CCS(=O)(=O)C1	514302196	MHNMDHDARWLBML-MSOLQXFVSA-N	553.772	3.280	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	514377725	GSECQFJWQFPWMY-UHFFFAOYSA-N	509.650	3.199	0	20	KGAD	
COCCN(C(=O)CCC(=O)N(Cc1cccs1)c1ccc(OC)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514382888	XMTCXKUSBLPCQA-UHFFFAOYSA-N	557.673	3.250	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CN1C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C1=O)n2CC	514389166	AXEPBDUUJWHTAA-JOCHJYFZSA-N	507.378	3.393	0	20	KGAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)Nc1cccc(C(=O)NC2CC2)c1	514391461	KIUJDRYPINSSJT-UHFFFAOYSA-N	524.622	3.039	0	20	KGAD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)cc2)C1	514297689	QWESIYLTQGUSKS-OAHLLOKOSA-N	519.567	3.200	0	20	KGAD	
CC[C@H](C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514374638	FHQPIGJUHSZJMS-KRWDZBQOSA-N	507.682	3.088	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1	514378211	BTIPNSSRRYOBJF-UHFFFAOYSA-N	561.730	3.350	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)ccc1Cl	514378982	KGAPJQGOOSVRBX-UHFFFAOYSA-N	530.068	3.416	0	20	KGAD	
Cc1ccc(-c2noc(CN3CCN(C(=O)CCc4ccc(S(=O)(=O)N5CCCCC5)cc4)CC3)n2)cc1	514394710	ZJLQEXWADMPYIC-UHFFFAOYSA-N	537.686	3.497	0	20	KGAD	
O=C(Cn1cc(Cl)cn1)Nc1nc2c(s1)C[C@H](NC(=O)c1nc(-c3ccccc3)ns1)CC2	1815409218	VNERPKOESLBTNP-CQSZACIVSA-N	500.009	3.438	0	20	KGAD	
COCCn1c(SCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)nnc1-c1ccncc1	514293826	WOSAHENQFKNGSM-QHCPKHFHSA-N	510.664	3.431	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1	514300854	SPSJUCMSPXMVCD-XMMPIXPASA-N	516.616	3.159	0	20	KGAD	
CCOc1ccc(CN(CCCN(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1OCC	514377184	MCOURODEWKCAMU-UHFFFAOYSA-N	563.717	3.108	0	20	KGAD	
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1	514377669	DPCILKXHENBIMY-LJQANCHMSA-N	551.731	3.273	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O	514383001	APMNBSKREAWWBY-YJYMSZOUSA-N	545.386	3.140	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1	514383200	IGHRCFNIHGXJAL-KRWDZBQOSA-N	543.658	3.273	0	20	KGAD	
CCN(Cc1ccc2c(c1)OCO2)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514383664	IGZZEUOZIRSKDI-UHFFFAOYSA-N	502.589	3.026	0	20	KGAD	
COc1cc(Br)c(CS(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCCO3)cc1OC	514402009	JAYQPMYHFITCNO-UHFFFAOYSA-N	500.367	3.181	0	20	KGAD	
CCCCn1c(CCC(=O)NCCc2ccc(OC)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514294117	YUXXPEMOBPTJSE-UHFFFAOYSA-N	516.664	3.395	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cccc(SC)c2)c(C(=O)OC)c1C	514382637	TTWLPNZAPSLOQJ-HNNXBMFYSA-N	546.714	3.390	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccco2)sc(C(=O)OC)c1CC(=O)OC	514384541	PODLDJLXIIXWPK-UHFFFAOYSA-N	562.626	3.268	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514290854	CIBWVSZWPWFGHD-ZEQKJWHPSA-N	661.872	3.339	0	20	KGAD	
CC(C)CN(C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C)[C@H]1CCS(=O)(=O)C1	514292492	MPQVLMZANSEJMS-KRWDZBQOSA-N	505.687	3.426	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1	514295141	HENLEPFISGLFIV-GOSISDBHSA-N	525.668	3.134	0	20	KGAD	
COC(=O)c1ccc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCOC(C)C)cc1	514296291	HFQVMVSHUIUKQI-UHFFFAOYSA-N	501.605	3.326	0	20	KGAD	
CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1	514300134	TYGPCOCBKACPIO-UHFFFAOYSA-N	507.056	3.064	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514379225	PVUBRSWVAQEQPY-UHFFFAOYSA-N	553.685	3.381	0	20	KGAD	
CN(Cc1cccc(F)c1)C(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514379591	AJAPBVGWHAMPNJ-UHFFFAOYSA-N	525.668	3.108	0	20	KGAD	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1OC	514387797	LQSDECKQLSVPRD-UHFFFAOYSA-N	531.656	3.129	0	20	KGAD	
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)cc1	514393041	LSUOMHLVIVMDQX-UHFFFAOYSA-N	534.708	3.134	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NCc1cn3cc(Cl)ccc3n1)n2CC(C)C	637302808	WXGINLMGJNDLSO-UHFFFAOYSA-N	500.003	3.305	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCCC2)cc1	514295965	HZSKWDVJWUYEHF-XMMPIXPASA-N	531.675	3.258	0	20	KGAD	
Cn1nc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)c2ccccc2c1=O	514299410	FEGMKZJBNZKIAO-UHFFFAOYSA-N	523.659	3.280	0	20	KGAD	
CCOCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nc2ccc(Br)cc2c1=O	514304779	ZLMKFSIXROPJBP-UHFFFAOYSA-N	655.593	3.346	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3cccc(Br)c3)c(C)c2)CC1	514384360	PEOPTVVEFIMEJN-UHFFFAOYSA-N	509.470	3.207	0	20	KGAD	
Cc1cc(CN2CCN(C(=O)c3ccc(N4CCCCC4)c(S(=O)(=O)N4CCCCC4)c3)CC2)on1	514390237	CMMSLNNIRZEWEA-UHFFFAOYSA-N	515.680	3.106	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nc(O)c4c5c(sc4n3)CCCC5)CC2)c1	514291395	DFJZVMFBKJXUHS-UHFFFAOYSA-N	543.715	3.264	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3sc4c(c3c(=O)n2CC)CC[C@H](C)C4)c(O)nc1=O	514291946	JRDRYSUZJALJFV-HNNXBMFYSA-N	576.745	3.019	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1	514292098	KMZGFJYNPHOOQE-GOSISDBHSA-N	535.066	3.199	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(O)nc1=O	514294993	FIACZPRGFFHHFR-UHFFFAOYSA-N	614.544	3.382	0	20	KGAD	
O=C(CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299857	JNZHSZUHDIPDED-PMACEKPBSA-N	592.537	3.435	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)CC1	514299927	LBSAASPHQQZGBZ-UHFFFAOYSA-N	542.702	3.219	0	20	KGAD	
Cc1cccc(NC(=O)CN(C)C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)c1C	514376778	GPAZWOROJQWFAQ-UHFFFAOYSA-N	525.675	3.394	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2cccnc2)n1C	514385596	NPXYNZSZQLQPNQ-UHFFFAOYSA-N	516.649	3.181	0	20	KGAD	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1	514293663	UXWWSAMPLRLDSU-UHFFFAOYSA-N	534.487	3.496	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1	514296025	NTJHLDJBKHQXCZ-APWZRJJASA-N	539.676	3.063	0	20	KGAD	
CSC[C@H](C(=O)Nc1nc(-c2ccc(CCNC(C)=O)cc2)cs1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	514301299	ZPLQNVMDJCPSIW-SFHLNBCPSA-N	514.673	3.334	0	20	KGAD	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514377024	KBCKZLZVTCMTMR-UHFFFAOYSA-N	555.575	3.353	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)CC(=O)Nc1ccc(Cl)cc1Cl	514380995	VAKXDRZXJBPLNK-UHFFFAOYSA-N	573.499	3.312	0	20	KGAD	
Cc1cccc(-c2nnc(SCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)n2Cc2ccco2)c1	514384427	PUNAZUCIPFQPFR-SFTDATJTSA-N	530.672	3.182	0	20	KGAD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC	514387189	KPNUUIGDFCIELC-NRFANRHFSA-N	500.592	3.232	0	20	KGAD	
O=C(CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)Nc1ccc2c(c1)OC1(CCCC1)O2	514393457	BOHAQVGDWADQQD-GOSISDBHSA-N	501.609	3.066	0	20	KGAD	
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c1	514401251	QQDRQJWMQCSWIS-OAHLLOKOSA-N	519.567	3.343	0	20	KGAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)Nc1ccccc1Br	514295217	AFBRMVGAXPBJJT-UHFFFAOYSA-N	552.369	3.462	0	20	KGAD	
CC(C)CN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1c(O)nc(=O)n(CC(C)C)c1N	514382119	GWUIECUGMFQBGT-UHFFFAOYSA-N	504.638	3.189	0	20	KGAD	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3N(C)C)CC2)cc1	514384473	QPHSFZMZGMYBDF-UHFFFAOYSA-N	536.720	3.166	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnc(COc3cccc(C)c3)o2)CC1	514385804	VHDRRFULTNHPAY-UHFFFAOYSA-N	509.632	3.394	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)C2CCCC2)c(O)nc1=O	514386572	TVFRYMCYNPYNAE-UHFFFAOYSA-N	513.624	3.193	0	20	KGAD	
CC(C)[C@@H](NC(=O)Cn1ncc(Br)c(Br)c1=O)c1ccc2c(c1)OCCCO2	514393976	DHJFFYFVXCEPRM-GOSISDBHSA-N	515.202	3.443	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC)[C@@H]1CCS(=O)(=O)C1	514395932	XJACKKCEUPGRDZ-RBUKOAKNSA-N	556.776	3.137	0	20	KGAD	
O=C(CN1CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1)Nc1ccccc1C(F)(F)F	514404179	BCGHHHBNNBBFTE-UHFFFAOYSA-N	584.525	3.161	0	20	KGAD	
CCCCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1ccc(OC)cc1	514291576	GPKGJVYRXJOAOP-UHFFFAOYSA-N	559.693	3.026	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c(O)nc1=O	514299853	JSUYQWZFHFVMQO-IBGZPJMESA-N	585.731	3.314	0	20	KGAD	
O=C(CCc1nc(-c2ccsc2)no1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514388165	VTTNYHHXTCDRNW-UHFFFAOYSA-N	546.549	3.331	0	20	KGAD	
COC(=O)CCCCCn1c(SCC(=O)NCc2ccccc2CN2CCOCC2)nc2ccccc2c1=O	514402052	KTDHFPRQQCEYGE-UHFFFAOYSA-N	552.697	3.371	0	20	KGAD	
O=C(NCCNC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)c1ccc(Cl)cc1	514405745	YXDCLTYCLQKHJU-UHFFFAOYSA-N	533.956	3.186	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1	514292069	KOKVWXVONAWAIE-NRFANRHFSA-N	578.757	3.369	0	20	KGAD	
COc1ccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCCC1	514295174	HKRKEONDPAUKRB-LJQANCHMSA-N	559.707	3.048	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NCCCn3ccc4ccccc43)CC2)c(C(=O)OC)c1C	514298181	ZRIOQHBOVDNCLV-UHFFFAOYSA-N	561.682	3.192	0	20	KGAD	
O=C(NCc1nc2ccccc2s1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514303089	TYMCFNQROTWMQC-UHFFFAOYSA-N	500.646	3.238	0	20	KGAD	
CCCCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1	514374980	JBBSTNRTKAZAQP-UHFFFAOYSA-N	533.651	3.103	0	20	KGAD	
CCCCNS(=O)(=O)c1cccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1	514392251	SVUFYMGIRIMYPX-UHFFFAOYSA-N	525.557	3.077	0	20	KGAD	
O=C(CSc1ccncc1)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)cc4nn[nH]c34)sc2C1	1821435445	HDOCXDHFTQUBLB-GFCCVEGCSA-N	500.009	3.481	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2)C[C@@H](C)O1	514298650	DSJYKVOYBIDKTB-CALCHBBNSA-N	574.096	3.316	0	20	KGAD	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514376011	ZEKABEKRYRLOCP-UHFFFAOYSA-N	561.133	3.142	0	20	KGAD	
CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1C(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514376799	ROMCOYANVDBSOD-UHFFFAOYSA-N	514.652	3.259	0	20	KGAD	
COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)N(C)CC(=O)NC(C)(C)C)c2)cc1Cl	514384829	ZCOBUYNMPKMNDI-UHFFFAOYSA-N	512.028	3.169	0	20	KGAD	
Cc1cccc(NC(=O)CN2CCN(CC(=O)N3CCN(Cc4ccc(Br)s4)CC3)CC2)c1C	514386795	CIXIWLYGDAHLGG-UHFFFAOYSA-N	548.551	3.028	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Br)s2)c1	514380754	PDJWMNSNRGJSIF-UHFFFAOYSA-N	538.511	3.179	0	20	KGAD	
O=C(NCc1nnc2ccc(C(F)(F)F)cn12)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514393573	GHCJPTDDXICKEN-CYBMUJFWSA-N	546.369	3.228	0	20	KGAD	
CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	514401684	BYZXNRLJSOBGDN-NRFANRHFSA-N	546.665	3.405	0	20	KGAD	
O=C(NC[C@H]1CCN(C(=O)c2sccc2Cl)[C@H]1c1cccnc1)c1cc(=O)nc2sccn12	1811260126	YGQQMUWVYLMSPF-KDOFPFPSSA-N	500.005	3.499	0	20	KGAD	
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=NC(=O)c3ccccc3)nc2O)[C@](C)(F)[C@@H]1O)Oc1ccccc1	2048529095	HHVVVJWHBRMURI-BBXCVVKKSA-N	632.582	3.450	0	20	KGAD	
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)cc1	514291202	AUXFASZXNIAMNO-HXUWFJFHSA-N	564.730	3.027	0	20	KGAD	
CCc1c(C)sc2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n(C[C@H]3CCCO3)c(=O)c12	514293524	SHFVYSADDQOZPS-QGZVFWFLSA-N	530.672	3.178	0	20	KGAD	
O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514296204	NBWDHHKJJSLZIF-HSZRJFAPSA-N	534.078	3.465	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1	514380046	IBMFGVWKJACMOW-KDURUIRLSA-N	517.648	3.471	0	20	KGAD	
CCOc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCC1	514382383	MAJSYIVOVVPPEG-SFHVURJKSA-N	509.650	3.343	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1CCCO)NC[C@H](c1ccccc1Cl)N1CCCC1	514391351	HRMUKGYTLCBBOO-JOCHJYFZSA-N	501.052	3.478	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1nc2ccsc2c(=O)n1C	514392482	XQICGTGCQVRTGI-UHFFFAOYSA-N	522.674	3.299	0	20	KGAD	
Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	514401934	CGTBKQBBMPQEOD-DEOSSOPVSA-N	502.633	3.148	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(NC(=O)c2ccn(C)c(=O)c2)c1	514402815	RLMPBXXGAKVTOF-UHFFFAOYSA-N	553.685	3.003	0	20	KGAD	
O=C1c2ccccc2C(=O)N1C[C@@H](CN(C[C@H](CN1C(=O)c2ccccc2C1=O)c1nccn1C(=O)O)c1ccc(N2CCOCC2=O)cc1)c1nccn1C(=O)O	2048532079	AJZDVVNBRXITHJ-JWQCQUIFSA-N	786.758	3.461	0	20	KGAD	
CCOc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)CC1	514295758	GUTLMDSVTIQRTM-UHFFFAOYSA-N	542.702	3.059	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	514382725	BJLITDUVTATDNT-UHFFFAOYSA-N	515.966	3.125	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)cc1	514384336	OJQPWRZYASIXFL-UHFFFAOYSA-N	520.702	3.466	0	20	KGAD	
O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1	514386124	DWIIYMDBIAOUAM-UHFFFAOYSA-N	572.732	3.077	0	20	KGAD	
C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)N[C@H]1CCS(=O)(=O)C1	514387988	LCGXBOIAODJHBF-KGLIPLIRSA-N	521.661	3.249	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)n1-c1ccc(F)cc1)N(C)C	514389986	ULRYNIXOKDVAJG-SFHVURJKSA-N	511.627	3.497	0	20	KGAD	
COc1cc(CN(C)C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1OC(F)F	514379636	BKJFLRFRHFGUOF-UHFFFAOYSA-N	514.547	3.175	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(N4CCCCC4)CCCCC3)CC2)cc1OC	514381572	JPBJSMMRRGNZOE-UHFFFAOYSA-N	507.697	3.410	0	20	KGAD	
CSc1nc(C)c(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c(C)n1	514384773	WPMAUCJVQFSGOF-UHFFFAOYSA-N	533.720	3.398	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1)c1c(O)nc(=O)n(CCC)c1N	514386121	DOLAEJCZJCXPNB-UHFFFAOYSA-N	540.694	3.356	0	20	KGAD	
COc1ccc([C@H](CNC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)N2CCCC2)cc1	514402783	NHBSEENMJHWCDZ-DEOSSOPVSA-N	537.686	3.118	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1	514296819	QLGLNXCGZWBRKS-UGKGYDQZSA-N	531.675	3.003	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1S(=O)(=O)N(C)C	514385848	WUFMAXQDPWYNJE-UHFFFAOYSA-N	563.620	3.394	0	20	KGAD	
O=C(Cc1ccc(Cl)cc1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)nc3sccn13)CC2	1813945642	POTGRFGDOOBGNP-AWEZNQCLSA-N	500.005	3.334	0	20	KGAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)c12	514300753	SVLXEWHYXWSOTI-AWEZNQCLSA-N	523.036	3.286	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2CC(C)C)c1	514404462	DRGZNZZVHDXFNJ-UHFFFAOYSA-N	524.713	3.348	0	20	KGAD	
O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514293644	UIAFDJUNNGAOAS-NRFANRHFSA-N	525.593	3.123	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(O)nc1=O	514295079	IPEJKPPPIHCKBI-QFIPXVFZSA-N	533.629	3.230	0	20	KGAD	
CCOCCCn1c(SCC(=O)N2CCC(C(=O)OCC)CC2)nc2ccc(Br)cc2c1=O	514298065	TYQDCYXOHKEUSN-UHFFFAOYSA-N	540.480	3.479	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1S(=O)(=O)N(CC)CC	514378797	XLGXUNXTODFDLW-UHFFFAOYSA-N	541.667	3.294	0	20	KGAD	
CCN(CC)CCn1c(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)nc2ccccc21	514379903	WSEOACREBXFRAT-UHFFFAOYSA-N	581.743	3.340	0	20	KGAD	
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)cc1S(=O)(=O)N(CC)CC	514381784	SFKGHIAOSFRUMD-UHFFFAOYSA-N	596.772	3.235	0	20	KGAD	
CCOc1cccc2cc([C@H](C)NC(=O)Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)oc12	514385523	KPWKQQOKVBDQKY-KRWDZBQOSA-N	502.589	3.281	0	20	KGAD	
CCCn1c(SCC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)nnc1-c1ccncc1	514290945	DCGWZXAVTOWQOA-UHFFFAOYSA-N	502.622	3.387	0	20	KGAD	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CCS(=O)(=O)C2	514304406	STJKUTDXAWQMIL-HNNXBMFYSA-N	540.685	3.211	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(CCC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1	514381519	HXZBIJCRDNWUOW-UHFFFAOYSA-N	583.711	3.262	0	20	KGAD	
CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)[C@H]1c1ccc(OC)cc1	514381937	BMDDVSUDJBAMIV-YIXXDRMTSA-N	559.685	3.443	0	20	KGAD	
CCCCN(C(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1)c1c(O)nc(=O)n(CCC)c1N	514290974	CGABBPGFTDOYHX-UHFFFAOYSA-N	522.031	3.217	0	20	KGAD	
CCCCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514297445	ZLQLYJUESQGMOH-GOSISDBHSA-N	519.668	3.055	0	20	KGAD	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCc3nnc4n3CCCCC4)ccc2OC)cc1Cl	514394277	RXNZWGQQYIIWHI-UHFFFAOYSA-N	550.037	3.415	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccccc2OCC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514402545	CIPBAJIZMDUUGC-UHFFFAOYSA-N	500.621	3.437	0	20	KGAD	
O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)nc3ccccc13)CC2	1826666702	FLHARFPAJULUGU-NSHDSACASA-N	500.009	3.481	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)CCc2ccccc2)c(C(=O)OC)c1C	514296452	LVGPPJCNNDUMMD-YJBOKZPZSA-N	556.728	3.167	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)n2[C@@H](C)COC)c1	514296662	NHDJWACMWCKIJR-FQEVSTJZSA-N	686.829	3.086	0	20	KGAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1	514297303	PGZRHIBAVHGKKR-UHFFFAOYSA-N	543.690	3.417	0	20	KGAD	
COCCCn1c(SCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)nnc1-c1ccc(OC)c(OC)c1	514389578	KFWZRASAEJZCCB-UHFFFAOYSA-N	589.740	3.321	0	20	KGAD	
CCOc1cc(N[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(OCC)cc1NC(=O)c1ccccc1	514390898	AVXSCIKFTXATPT-PKOBYXMFSA-N	503.621	3.182	0	20	KGAD	
O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	514296178	GQQLLQPVOSGTDO-UHFFFAOYSA-N	501.634	3.257	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	514377298	QJWMHYCTHQMSKG-SFHVURJKSA-N	529.615	3.143	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1	514383066	BZLDDMAZFDCKAR-DNQXCXABSA-N	546.784	3.406	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O	514383484	FHAYJMFPRSFLPC-UHFFFAOYSA-N	594.484	3.272	0	20	KGAD	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1	514390972	DRNXQOBZHOWLCA-UHFFFAOYSA-N	507.971	3.099	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(N4CCCC4)n3Cc3ccco3)cc2)C[C@H](C)O1	514394141	QWOXHHBJUUGSFQ-OALUTQOASA-N	560.702	3.048	0	20	KGAD	
COc1ccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1S(=O)(=O)N(C)Cc1ccccc1	514394457	NUVHKBFIQHEAFR-PMACEKPBSA-N	503.665	3.134	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	514296424	PKKDOYBTPORNFV-UHFFFAOYSA-N	605.657	3.466	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514378048	DKDKATCTVXLWSR-UHFFFAOYSA-N	640.626	3.315	0	20	KGAD	
O=S(=O)(c1ccc2c(c1)nc(-c1ccc(O)c(Br)c1)n2C[C@@H]1CCCO1)N1CCOCC1	514381460	GBOWWEXPRGMVHJ-INIZCTEOSA-N	522.421	3.371	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(NC(=O)NC)c1)n2CC	514395676	QEDMSIMDEIOWHR-UHFFFAOYSA-N	500.625	3.409	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514296666	OLSZOWFDOSLUAI-LSYYVWMOSA-N	588.727	3.366	0	20	KGAD	
CSC[C@H](C(=O)Nc1nc(-c2ccc(CCNC(C)=O)cc2)cs1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	514301298	ZPLQNVMDJCPSIW-IRFCIJBXSA-N	514.673	3.334	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H](O)COCc3ccccc3OC)o2)c1	514376275	FUUBSLJTGYKROV-IBGZPJMESA-N	507.634	3.446	0	20	KGAD	
COc1ccc(NC(=O)CSCc2cc(=O)n3c(C)csc3n2)cc1S(=O)(=O)N1CCCCC1	514380427	KTFJCNBQOHBEIA-UHFFFAOYSA-N	522.674	3.120	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(O)nc1=O	514381395	CZGLVWYMPCAJCJ-UHFFFAOYSA-N	569.684	3.047	0	20	KGAD	
Cc1cccc(CN2CCN(C(=O)CCc3nc4cc(S(=O)(=O)N5CCCCC5)ccc4n3C)CC2)c1	514382063	DYSNGFHSDOPGOM-UHFFFAOYSA-N	523.703	3.333	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nc(-c3ccc[nH]3)cs2)c(O)nc1=O	514386927	IPPNRJQPQFSQEF-UHFFFAOYSA-N	501.613	3.191	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1	514392141	RHYXVKBFFUMSLL-UHFFFAOYSA-N	569.610	3.427	0	20	KGAD	
Cc1ccccc1-n1c(S[C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)nnc1N1CCOCC1	514395532	MRLYINLIOJKTDF-JOCHJYFZSA-N	536.702	3.042	0	20	KGAD	
CSCC[C@H](C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514402333	OHLVKPGNZSTLFH-OSZJIOELSA-N	508.084	3.126	0	20	KGAD	
CSC[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	514297412	UCGRGFXMCOUVFA-FDFHNCONSA-N	573.693	3.494	0	20	KGAD	
CC(C)NC(=O)CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	514379027	LOVIXYIPGQDKJP-UHFFFAOYSA-N	540.505	3.213	0	20	KGAD	
C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)CC1	514389423	GLQDXAJKFOMDIQ-QFIPXVFZSA-N	506.676	3.161	0	20	KGAD	
O=C(NCCc1ccc(Br)s1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514393538	DTWCXYICHSVJLO-UHFFFAOYSA-N	529.478	3.432	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)c(O)nc1=O	514395390	JGOQDIKUPRRBLS-IBGZPJMESA-N	578.699	3.443	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O	514402451	JFASIPLPUSOVMY-UHFFFAOYSA-N	513.664	3.309	0	20	KGAD	
CCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C12CC3CC(CC(C3)C1)C2	514295787	KRJOXKSAQQTHNR-UHFFFAOYSA-N	514.692	3.344	0	20	KGAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	514297185	SRVCYBJIJOXXDY-UHFFFAOYSA-N	519.645	3.348	0	20	KGAD	
CSC[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	514297413	UCGRGFXMCOUVFA-YPAWHYETSA-N	573.693	3.494	0	20	KGAD	
COc1cc(CN(C)C(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)ccc1OCc1ccccc1	514302751	RYCWNQLDGOXSBV-UHFFFAOYSA-N	530.669	3.167	0	20	KGAD	
C[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2C1	514376975	JITJJFSQADDEHZ-OAHLLOKOSA-N	526.080	3.258	0	20	KGAD	
CCOC(=O)CSc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)s1	514377812	KLQTWCLMPVDIQV-ZIAGYGMSSA-N	528.678	3.121	0	20	KGAD	
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	514381898	AYHATIDUVIKCPO-UHFFFAOYSA-N	537.711	3.318	0	20	KGAD	
CCCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CC(=O)Nc4ccccc4CC)CC3)nnc12	514386429	OYHAMSZJABRELD-UHFFFAOYSA-N	561.712	3.282	0	20	KGAD	
COc1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1S(=O)(=O)N1CCOCC1	514405430	WBXMLCISUYTRRX-UHFFFAOYSA-N	502.589	3.329	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)ccc2OC)cc1Br	514297455	UIRFIQOMEZQBBG-CALCHBBNSA-N	580.457	3.381	0	20	KGAD	
Cc1c(NC(=O)CSCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(=O)n(-c2ccccc2)n1C	514291695	FEUDCYHJXMNVJV-IBGZPJMESA-N	571.725	3.215	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2)cc1	514295690	JOPYKUCKWOHQGH-UHFFFAOYSA-N	571.721	3.172	0	20	KGAD	
CC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)cc2)CC1	514303823	OJTOKRKXUYNNOR-UHFFFAOYSA-N	523.652	3.286	0	20	KGAD	
CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[C@@H]1c1ccc(OC)cc1	514382581	QQHVNLCXGBMSRI-KCWPFWIISA-N	559.685	3.443	0	20	KGAD	
COCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(Cc3ccco3)CC(F)(F)F)nnc12	514385063	YWHUUGYQXJNSMO-UHFFFAOYSA-N	509.510	3.357	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2ccc(N3CCCCC3)cc2C(N)=O)ccc1C	514394460	NYVMUKZYUVSDFT-UHFFFAOYSA-N	501.653	3.165	0	20	KGAD	
COc1cc(CCC2CCN(C(=O)c3cccc(S(=O)(=O)N4CCN(C(C)=O)CC4)c3)CC2)cc(OC)c1	514394523	XXFFUQSCWCNYEC-UHFFFAOYSA-N	543.686	3.042	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1	514401225	PXSHQHJYCPWDIM-ICSRJNTNSA-N	525.668	3.134	0	20	KGAD	
CCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)cc1S(=O)(=O)N(CC)CC	514293626	UBYBNFBXRFIVGP-OAQYLSRUSA-N	537.704	3.371	0	20	KGAD	
CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(OC)cc1)N(C)C	514374905	HREIWCGXPCGXGK-NTKDMRAZSA-N	588.756	3.429	0	20	KGAD	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cc2)C1	514381955	BXFDWNZNPOPYOH-LJQANCHMSA-N	519.067	3.157	0	20	KGAD	
CCCCn1c(CCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)s2)nc2cc(S(=O)(=O)N(C)C)ccc21	514393061	MNZCXMRMJBHVPH-UHFFFAOYSA-N	583.802	3.428	0	20	KGAD	
COc1ccc(C(=O)N(CCC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1S(=O)(=O)N1CCCC1	514405366	UINPRPRSAFIFHI-UHFFFAOYSA-N	569.684	3.065	0	20	KGAD	
COCCN(C(=O)CCC(=O)N(c1ccccc1)c1nc(C)cs1)c1c(O)nc(=O)n(CC(C)C)c1N	514296888	ROYQSSRNUNETBK-UHFFFAOYSA-N	528.635	3.077	0	20	KGAD	
CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nnc1-c1cccs1	514384986	WDIDADIDRNGVLU-UHFFFAOYSA-N	530.072	3.444	0	20	KGAD	
CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	514388080	UKZXPVDRWWETDQ-OAQYLSRUSA-N	530.449	3.010	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1S(=O)(=O)NC1CCCC1	514394969	YFLPUTAOHIKGSX-OAQYLSRUSA-N	516.620	3.469	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Sc2ncnc3sc4c(c23)CCCC4)c(O)nc1=O	514396010	ZEGBZPFPYRPEGK-AWEZNQCLSA-N	532.692	3.375	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC[C@@H](O)COCc3ccccc3OC)n2C)c1	514292745	LZCOVGFQXMRUGK-FQEVSTJZSA-N	520.677	3.191	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514301189	WAMVKGZSLRFYJC-RTWAWAEBSA-N	587.789	3.476	0	20	KGAD	
CCCCn1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1[C@H](CC)N(C)C	514374431	BRBFOAGHMPVFPH-NQIIRXRSSA-N	538.740	3.231	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Sc3nnc(N4CCCCC4)n3Cc3ccco3)CC2)cc1	514395485	LRYHEYYSVSRMBO-NRFANRHFSA-N	558.730	3.232	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	514404607	JTWHLBWKYLNVHP-BGYRXZFFSA-N	535.688	3.220	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)n1CCN1CCOCC1)N(C)C	514290991	BSNUREDVQGYCIN-XMMPIXPASA-N	607.847	3.227	0	20	KGAD	
CCCCN(C(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1)c1c(O)nc(=O)n(CC(C)C)c1N	514292111	KVXKWGSTNMNSJK-UHFFFAOYSA-N	536.058	3.463	0	20	KGAD	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514299858	JTMFJTCXTUIVTN-UHFFFAOYSA-N	538.674	3.161	0	20	KGAD	
CCCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccc(Cl)cc1	514301193	WBYPMQLUJWITBX-OALUTQOASA-N	513.085	3.295	0	20	KGAD	
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514303508	WRNFMRWCPBHBTG-SZPZYZBQSA-N	530.691	3.355	0	20	KGAD	
COc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)cc(Cl)c1O	514381563	JGHRSZXPXQVLFK-MRXNPFEDSA-N	507.996	3.271	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N2CCN(CCOc3ccccc3)CC2)c1	514382004	DENPFNWUTRWCTQ-FQEVSTJZSA-N	523.099	3.394	0	20	KGAD	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514383895	NJKHOLFLMOTSFV-GJZGRUSLSA-N	536.459	3.242	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1	514389028	XPZUTPSJPINWGY-KXBFYZLASA-N	506.053	3.499	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NC[C@H](c1ccco1)N1CCCCC1	514295911	GMJXGOSLGBWLIA-RUZDIDTESA-N	580.773	3.246	0	20	KGAD	
Cc1cccc(C)c1OCc1nnc(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)n1-c1ccccc1	514375457	QSQGCTMTKNJXIX-DEOSSOPVSA-N	500.646	3.249	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514380672	SKCSQAOIVHXPJQ-UHFFFAOYSA-N	572.105	3.187	0	20	KGAD	
COc1cc(CN(C)C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)ccc1OCc1ccccc1	514387370	FFZMZPSKZKXGSR-FQEVSTJZSA-N	531.656	3.385	0	20	KGAD	
CCn1c(SCC(=O)N2CCc3sccc3C2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514394304	SSLCYAJDOOCLSK-UHFFFAOYSA-N	517.702	3.488	0	20	KGAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1	514299086	DEVYOQYLVSTYPD-UHFFFAOYSA-N	544.703	3.080	0	20	KGAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)c12	514300400	NTGISNKSVSOPLM-DYESRHJHSA-N	519.631	3.391	0	20	KGAD	
COc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)ccc1N1CCCC1=O	514393542	DUQYTJDWSISVAX-LJQANCHMSA-N	522.421	3.376	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375149	LZWGZHNJEMHNCG-INIZCTEOSA-N	504.634	3.205	0	20	KGAD	
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1	514375736	VZDVXVBEXQOCMK-APWZRJJASA-N	521.665	3.408	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2cc(C)n(CCc3ccc(OC)c(OC)c3)c2C)c1	514383429	DLTSRECBLUOOOX-UHFFFAOYSA-N	529.659	3.440	0	20	KGAD	
COCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc2ccccc21	514385806	VKTQFBTZDAVMJL-UHFFFAOYSA-N	515.082	3.023	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1S(=O)(=O)N1CCCC1	514295333	DLDAZQLDYAIJBC-UHFFFAOYSA-N	509.650	3.199	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccncc2)CC1	514303721	YFEZXKZYRGQNKJ-IBGZPJMESA-N	503.477	3.137	0	20	KGAD	
CCCCNS(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1	514384163	PGCFSNATNWBBKI-UHFFFAOYSA-N	515.604	3.083	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H](C)COC)c1	514292534	LQJOADLAKBIKDB-IBGZPJMESA-N	624.811	3.164	0	20	KGAD	
CCn1c(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514297200	QPHRBWLBWIWFJF-UHFFFAOYSA-N	504.056	3.241	0	20	KGAD	
COc1ccc(CSc2nnc(SCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)s2)cc1	514299795	IUSKBMZACMOAPK-AEFFLSMTSA-N	529.731	3.126	0	20	KGAD	
CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	514388035	TUZJOMLINDPOLK-QFIPXVFZSA-N	566.474	3.358	0	20	KGAD	
C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514389518	IAZPTNVDEKRVOG-DOTOQJQBSA-N	511.695	3.423	0	20	KGAD	
COc1cc2ncn(CCCC(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c(=O)c2cc1OC	514390566	OTRJSDQPHRIFSY-SFHVURJKSA-N	528.631	3.253	0	20	KGAD	
O=C(CCc1ccc(OC(F)F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1	514401822	FUYLBPVNUFRSNP-FQEVSTJZSA-N	539.601	3.471	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCC(C(=O)OCC)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514297397	TVHRWOSGXANCEZ-UHFFFAOYSA-N	518.680	3.355	0	20	KGAD	
CC(C)CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc2c1=O	514299906	JZZPFHKDUQQSON-RTBURBONSA-N	542.123	3.383	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CN(C)Cc2ccccc2N2CCCC2)sc(C(=O)OC)c1CC(=O)OC	514404378	FJJYMKPKQLWNRO-UHFFFAOYSA-N	531.631	3.098	0	20	KGAD	
O=C(Cn1ccccc1=O)N[C@@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1	1815842759	BSSOGVJOVKOUOJ-GFCCVEGCSA-N	500.005	3.494	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Cc1cc2c(cc1Br)OCCO2	514299559	FELXGUIUHLCZBK-SFHVURJKSA-N	520.376	3.469	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(Cl)cc3Cl)CC2)cc1	514378505	GMVPYMQYCMYVEO-OAQYLSRUSA-N	560.525	3.387	0	20	KGAD	
O=C(CCNS(=O)(=O)c1cc(Br)ccc1Br)Nc1ccc(CN2CCOCC2)cc1	514384883	VLZSASWPSFFFGF-UHFFFAOYSA-N	561.296	3.351	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1n[nH]c(Cc2cccs2)n1	514394481	VRHKBGRCDUQWNZ-UHFFFAOYSA-N	507.663	3.371	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)N2CCc3sccc3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395641	PHYVUGBLXLSREJ-INIZCTEOSA-N	520.702	3.204	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1	514291954	JTNOHCUATDBZSC-UHFFFAOYSA-N	522.693	3.128	0	20	KGAD	
CCN(CC)C(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1	514293183	RPTVRAXJYFSSJH-UHFFFAOYSA-N	515.632	3.369	0	20	KGAD	
COCCN(C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514381449	FRBMJYWBLKEZKQ-UHFFFAOYSA-N	609.547	3.087	0	20	KGAD	
COC(=O)CCCCCn1c(SC[C@H](O)COc2ccc(C(=O)OC)cc2OC)nc2ccccc2c1=O	514387744	PSWBQZUBOMTAGL-LJQANCHMSA-N	544.626	3.457	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)CC1	514390403	IXSJICQHRVUYAG-IBGZPJMESA-N	533.701	3.489	0	20	KGAD	
CCOc1cc(N[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(OCC)cc1NC(=O)c1ccccc1	514390896	AVXSCIKFTXATPT-IEBWSBKVSA-N	503.621	3.182	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1	514294838	BSPASJNGKUESED-BGYRXZFFSA-N	565.714	3.310	0	20	KGAD	
CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	514295572	KVNFULHJMKOTGE-UHFFFAOYSA-N	508.618	3.013	0	20	KGAD	
Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1C	514377032	WYWAJRGPQNFOTR-UHFFFAOYSA-N	500.042	3.048	0	20	KGAD	
CCCCCN(C(=O)CNc1cc(Cl)ccc1N1CCOCC1)c1c(O)nc(=O)n(CCCC)c1N	514382646	UCTCKPGYRZIBDJ-UHFFFAOYSA-N	521.062	3.457	0	20	KGAD	
O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCN(C(=O)Nc2ccccc2)CC1	514387287	FVLNRVZDKDBZOI-UHFFFAOYSA-N	510.948	3.252	0	20	KGAD	
CSCC[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	514387517	INYRZPRVCNTJDF-XYJFISCASA-N	562.541	3.123	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)nc2cc(S(=O)(=O)N(C)C)ccc21	514401927	CAZYVUHPZVEHMD-UHFFFAOYSA-N	579.745	3.394	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CC	514292045	KJIQDXKGYOBXKK-UHFFFAOYSA-N	559.714	3.014	0	20	KGAD	
COc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)N2CCOCC2)cc1OC	514301869	FMKTUBOWGPPCOV-QHCPKHFHSA-N	517.573	3.024	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)o2)cc1	514374343	ADMBTJSFTFGSFI-UHFFFAOYSA-N	502.597	3.027	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccccc2OC(F)F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377080	KYFLKYJTZVQHQZ-UHFFFAOYSA-N	508.547	3.250	0	20	KGAD	
COc1cccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1	514385692	RDJLGXVCWDYSGL-SFHVURJKSA-N	501.634	3.383	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc2nc(C)cc(C)n12	514385841	WLPHCOLTLBHYJL-UHFFFAOYSA-N	504.638	3.045	0	20	KGAD	
COc1ccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)N(C)Cc1ccccc1	514394456	NUVHKBFIQHEAFR-BGYRXZFFSA-N	503.665	3.134	0	20	KGAD	
CCCn1c(CSCC(=O)N[C@@H]2CCCC[C@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514400917	FAEMQWSMPJZRPU-UYAOXDASSA-N	508.710	3.395	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(CN3CCCC3=O)cc2)c(O)nc1=O	514403114	INQODMSIAPEHDG-UHFFFAOYSA-N	519.602	3.309	0	20	KGAD	
O=C(Cn1ccc2sccc2c1=O)N[C@H]1CCc2nc(NC(=O)c3ccc(Cl)cn3)sc2C1	1820424959	JWVSKHLVDZUTED-ZDUSSCGKSA-N	500.005	3.494	0	20	KGAD	
COCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514291235	BZPLYDYGNOPEPL-OFNKIYASSA-N	613.737	3.128	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nnc1-c1cccs1	514294037	VTAUZJFTOHKFRK-UHFFFAOYSA-N	528.081	3.432	0	20	KGAD	
CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514302095	AYMRBMBYBFKAMN-GOSISDBHSA-N	515.661	3.029	0	20	KGAD	
CCCn1c(CCC(=O)N2CCc3sccc3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514393182	QCQWQFRBFQZJEJ-UHFFFAOYSA-N	502.662	3.046	0	20	KGAD	
COc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)n2)cc1	514395737	RQWAOYSBYWHSTB-UONOGXRCSA-N	507.663	3.044	0	20	KGAD	
CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3nnc([C@H](CC)N(C)C)n3CCN3CCOCC3)nc(=O)c2c1C	514292900	NSDHPKOOXXCNGB-SJORKVTESA-N	563.750	3.259	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)N2CCCCC2)cc1	514297911	WVXJBDVBMYUILD-BJKOFHAPSA-N	505.706	3.439	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1	514300089	SIXIRYKENSHOLW-NRFANRHFSA-N	507.678	3.165	0	20	KGAD	
COc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1S(=O)(=O)N1CCOCC1	514375811	WZSBTPRFEGJBAF-UHFFFAOYSA-N	508.647	3.068	0	20	KGAD	
COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)N1CCCC1	514377644	CYLPDFWXRVPAJI-REHUZNOOSA-N	501.649	3.060	0	20	KGAD	
CN(Cc1ccc(Cl)s1)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514382333	JPXNILCWDTXBDQ-UHFFFAOYSA-N	504.461	3.327	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccco3)CC(F)(F)F)CC2)c(C(=O)OC)c1C	514382876	BDMWQVASQMQWBY-UHFFFAOYSA-N	566.576	3.215	0	20	KGAD	
CCn1c(SCC(=O)c2cccc(N3CCCC3=O)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387697	ITJVQGFAUKJXSY-UHFFFAOYSA-N	528.656	3.179	0	20	KGAD	
COC(=O)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)c1ccc(OC)c(OC)c1	514389947	SIZPEOKLYIDEKA-UEXGIBASSA-N	548.658	3.413	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)c1	514392755	ASZQSGBIPXWNPL-JOCHJYFZSA-N	537.082	3.413	0	20	KGAD	
COc1ccc2cc(CN(C)C(=O)CSc3nnc(N4CCOCC4)n3C[C@@H]3CCCO3)ccc2c1	514393268	VACIUTJMFGLPPT-QHCPKHFHSA-N	511.648	3.206	0	20	KGAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)[C@H]1CCS(=O)(=O)C1	514294008	YOKGQJLFBCWIND-ROUUACIJSA-N	553.772	3.424	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3nc(CN4CCCCC4)cs3)CC2=O)cc1	514298836	HYTMIIXBTFEXHV-GOSISDBHSA-N	519.693	3.151	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n1-c1ccc(F)cc1)N(C)C	514375933	WZOKFEORUFFVPS-LAUBAEHRSA-N	523.700	3.470	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380940	SDJRLJVFQMEHBG-UHFFFAOYSA-N	623.748	3.365	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(-c3nnnn3C3CC3)c1)n2C	514394143	QYKRSIWFRXHYGH-UHFFFAOYSA-N	522.635	3.164	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1sccc1S(=O)(=O)N1CCCC1	514394810	TVAFVHXWYAKNRL-UHFFFAOYSA-N	527.690	3.358	0	20	KGAD	
CC(C)C(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2)CC1	514402275	NDCQRLXUPNXBSR-UHFFFAOYSA-N	533.622	3.472	0	20	KGAD	
COc1ccc(O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1	514403806	QSHUZABVPGVOTR-IBGZPJMESA-N	503.621	3.112	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1)n2C	514292363	KPRPOJAAXNHBCH-VWLOTQADSA-N	511.692	3.490	0	20	KGAD	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)CC2)c(C)c1	514376972	JFKYVPACBMGVCR-UHFFFAOYSA-N	532.688	3.122	0	20	KGAD	
COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC	514394990	ZRUWWHLQXIEHSK-NRFANRHFSA-N	518.632	3.485	0	20	KGAD	
CCCn1c(CSCC(=O)N2c3ccccc3NC(=O)C2(C)C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401306	SOWSEKUGQOSFGU-UHFFFAOYSA-N	571.725	3.464	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)n2-c1ccccc1OC	514404658	HRSRADFSQCMLRP-RTBURBONSA-N	594.781	3.191	0	20	KGAD	
CCCCn1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1[C@@H](CC)N(C)C	514374434	BRBFOAGHMPVFPH-WIYYLYMNSA-N	538.740	3.231	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(c3ccccn3)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380025	CZAORNCKFQHKSZ-UHFFFAOYSA-N	524.691	3.297	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(C(=O)OC)c1C	514380876	WWCUTMWSPSXHMJ-UHFFFAOYSA-N	532.999	3.462	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1	514381051	ZTQCSWCQOGGWJI-VWLOTQADSA-N	568.652	3.498	0	20	KGAD	
COCCCn1c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nnc1-c1ccc(OC)c(OC)c1	514385818	VYBGRMAZVGRCRS-QGZVFWFLSA-N	563.702	3.368	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1	514387277	FODKXCVLESXUIY-UHFFFAOYSA-N	505.662	3.095	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(O)nc1=O	514387342	DDJZHXIKPPOWTA-HXUWFJFHSA-N	587.674	3.113	0	20	KGAD	
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1	514290888	ABAXGCFDZXHVHX-FGZHOGPDSA-N	541.626	3.004	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)CC2)cc1	514294143	WQBYERCSIFPGML-VWLOTQADSA-N	543.686	3.226	0	20	KGAD	
CCc1c(C)sc2nc(S[C@H](C)C(=O)N3CCC(C(=O)OC)CC3)n(C[C@H]3CCCO3)c(=O)c12	514301638	BJNREHCPVJDNRX-NVXWUHKLSA-N	507.678	3.400	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1	514384969	VYJFCKCXUNKGSH-UHFFFAOYSA-N	515.661	3.236	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1	514290853	CIBWVSZWPWFGHD-OZXSUGGESA-N	661.872	3.339	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(O)nc1=O	514295074	IPEJKPPPIHCKBI-JOCHJYFZSA-N	533.629	3.230	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)c1	514295608	FNAZKSNOXHFYLH-UHFFFAOYSA-N	635.809	3.466	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccc(S(=O)(=O)N(CC)CC)c3)nnc12	514375456	QSMGPFHVLSKUKK-UHFFFAOYSA-N	572.713	3.232	0	20	KGAD	
Cn1c(CCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514384714	SZMCMBJPMBNUBM-RUZDIDTESA-N	517.051	3.448	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC	514386582	UFAFCATWYOVDTA-UHFFFAOYSA-N	581.742	3.008	0	20	KGAD	
Cc1c(NC(=O)[C@H](C)SCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C	514390451	KJGOWIILFUHILS-LEWJYISDSA-N	535.670	3.422	0	20	KGAD	
COCCCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2OC)nc2cc(C(=O)OC)ccc2c1=O	514395568	NJTXLFUJOVFAQV-OAHLLOKOSA-N	515.588	3.356	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)c1c(O)nc(=O)n(CCCC)c1N	514382845	AONMOBYECOJNGQ-UHFFFAOYSA-N	597.761	3.034	0	20	KGAD	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)CC2	514387567	OYVSYHGNLQZGDP-WXVAWEFUSA-N	500.661	3.323	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	514388111	OYSOXPUQHGHAHP-HSZRJFAPSA-N	530.643	3.110	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCN3CCC(C(N)=O)CC3)ccc2OC)cc1Br	514295469	BHCNAVWXNXSCQN-UHFFFAOYSA-N	583.505	3.183	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccc1Cl	514296564	SGUCNRRIOSGTJG-UHFFFAOYSA-N	572.105	3.181	0	20	KGAD	
CCCCCN(C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)c1c(O)nc(=O)n(CCCC)c1N	514300941	UJCGTNQOAVBOBW-AWEZNQCLSA-N	548.438	3.302	0	20	KGAD	
COc1cccc(CN(C(=O)CN2CCN(CC(=O)N3CCCC3)CC2)C23CC4CC(CC(C4)C2)C3)c1	514382869	BBLUOCCJMZVXMV-UHFFFAOYSA-N	508.707	3.233	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1	514387765	QMXNZRIWPSBXTD-HHHXNRCGSA-N	544.718	3.129	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N(C)Cc1cnn(-c2ccccc2)c1)c1c(O)nc(=O)n(CCCC)c1N	514388288	MZSSLYVOPMOYLO-UHFFFAOYSA-N	537.665	3.479	0	20	KGAD	
COc1cc2ncn(CCCC(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c(=O)c2cc1OC	514390565	OTRJSDQPHRIFSY-GOSISDBHSA-N	528.631	3.253	0	20	KGAD	
CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(CN4CCOCC4)cc3)C2=O)cc1OCCC	514403535	MFMARPCGDJNRNS-UHFFFAOYSA-N	538.601	3.030	0	20	KGAD	
CCCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccc(Cl)cc1	514301195	WBYPMQLUJWITBX-RTBURBONSA-N	513.085	3.295	0	20	KGAD	
O=C(CSc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1)NCC(F)(F)F	514374884	HCRVZZXXKRLNNQ-UHFFFAOYSA-N	512.579	3.228	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)N2CCCC2)cc1	514377355	RWWWEKIRSXIXBJ-XMMPIXPASA-N	507.603	3.327	0	20	KGAD	
CCCCN(C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OCC)cc2)cc1)c1c(O)nc(=O)n(CCC)c1N	514378987	KJUHMZUKTOUXCW-UHFFFAOYSA-N	587.699	3.377	0	20	KGAD	
O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514386877	HFZOLLMAIYZPDO-UHFFFAOYSA-N	501.634	3.402	0	20	KGAD	
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1	514390125	YTYFTHGROUXLDO-MRXNPFEDSA-N	547.106	3.234	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1	514390906	AZMKEXZEWZYHCH-UHFFFAOYSA-N	524.691	3.317	0	20	KGAD	
CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCO1	514392174	VGCNRWUMFNGISS-FQEVSTJZSA-N	529.688	3.451	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3cc(Cl)ccc13)CC2	1815629366	GIFUQNMVNHDVKE-LBPRGKRZSA-N	500.009	3.481	0	20	KGAD	
CCc1c2c([n+]([O-])c3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	2048528958	RKIQRMSRZINRHB-XIFFEERXSA-N	602.688	3.330	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c(C(=O)OC)c1C	514297872	VXBRZVDNYXBTRD-FGZHOGPDSA-N	641.834	3.382	0	20	KGAD	
COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)c1C(=O)OC	514301083	VBGDKONQQNQZSI-UHFFFAOYSA-N	545.639	3.465	0	20	KGAD	
CCCCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nc2ccccc2c1=O	514375621	SZAFVPLWENRQNL-UHFFFAOYSA-N	528.679	3.478	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(C(=O)OC)c1C	514377779	ISWVVQROVMZSDZ-UHFFFAOYSA-N	598.143	3.028	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)c(O)nc1=O	514379281	OPNCGVFHFILMQG-INIZCTEOSA-N	511.604	3.232	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1	514388283	MYPNPPNGQNWQJD-ZWKOTPCHSA-N	515.657	3.219	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(O)nc1=O	514393381	YQUHYVCLYKCMFQ-UHFFFAOYSA-N	509.529	3.255	0	20	KGAD	
CCn1c(CSc2n[nH]c(Cc3cccs3)n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514393680	IXSGMSLSCBRAAV-UHFFFAOYSA-N	504.663	3.140	0	20	KGAD	
COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c1c(O)nc(=O)n2CC(C)C	514295989	DQVDVHJTRXHKIS-UHFFFAOYSA-N	516.190	3.499	0	20	KGAD	
Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1C	514404789	MTRTUENZMBWCMK-KRWDZBQOSA-N	502.687	3.404	0	20	KGAD	
CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514292555	LSCGSBOINAPCTR-ZWKOTPCHSA-N	541.761	3.416	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)cc1	514297286	UIOXBOJGWFGSIW-UHFFFAOYSA-N	533.672	3.103	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(O)nc1=O	514299660	MQCMQLIJGGQINE-UHFFFAOYSA-N	609.749	3.463	0	20	KGAD	
CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)sc1C	514300287	NJAWZCJRNANTMC-UHFFFAOYSA-N	584.720	3.371	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)n1CCN1CCOCC1)N(C)C	514376006	ZCHAJAFUVAFUNW-DEOSSOPVSA-N	607.847	3.307	0	20	KGAD	
CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1C	514376852	IUTWECJKAULDEV-UHFFFAOYSA-N	508.618	3.434	0	20	KGAD	
CCn1c(SC[C@H](O)COCc2ccccc2OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514381132	YUIFKEMHNTYRBV-OAQYLSRUSA-N	532.688	3.428	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1	514394419	MWRBAKCANXTBCL-OAQYLSRUSA-N	575.540	3.303	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1	514403627	WEDFGTABTRGOAU-QFIPXVFZSA-N	575.688	3.323	0	20	KGAD	
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)c1C	514403705	ZHNXJJDHXDTHNS-UHFFFAOYSA-N	522.693	3.047	0	20	KGAD	
O=C(CN1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1)Nc1ccc(OC(F)(F)F)cc1	514404807	NHBYAKNWVYYLFG-QFIPXVFZSA-N	548.562	3.276	0	20	KGAD	
COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ncccn4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1	514291615	HLGPXPLBDBNUAD-RSXGOPAZSA-N	501.587	3.327	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514296808	KTJKLPZQPPPSPM-GOSISDBHSA-N	503.587	3.314	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)n2CC	514395012	AQNNEARLVDTMMG-DLBZAZTESA-N	567.759	3.092	0	20	KGAD	
COc1ccc(C(=O)N2CCC(C(=O)N(C)C)CC2)cc1S(=O)(=O)Nc1ccc(Br)cc1	514295284	BIXRECWEPWJWEK-UHFFFAOYSA-N	524.437	3.199	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)CC2)cc1	514295309	CIVGXPOIOXWVRX-UHFFFAOYSA-N	541.699	3.228	0	20	KGAD	
O=C(CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299861	JNZHSZUHDIPDED-VQTJNVASSA-N	592.537	3.435	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)c1c(O)nc(=O)n(CC(C)C)c1N	514375871	XYMIEJFZWJBTIJ-UHFFFAOYSA-N	596.735	3.208	0	20	KGAD	
CCc1cc2c(=O)n(CCc3ccccc3)c(SCC(=O)N(CC)[C@H]3CCS(=O)(=O)C3)nc2s1	514377139	YLVHCCNGKIUUTI-SFHVURJKSA-N	519.714	3.391	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514384726	UBHQXXNOWYHRQW-VQTJNVASSA-N	548.086	3.326	0	20	KGAD	
Cc1sc2ncnc(N3CCC(C(=O)N4C[C@H](C(=O)N5CCOCC5)Oc5ccccc54)CC3)c2c1C	514388221	RDXSDYCNOMUJNE-JOCHJYFZSA-N	521.643	3.178	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N[C@@H](CC(=O)OC)c1ccc(OC)c(OC)c1)n2CC(C)C	514390851	DKPUMQCXAVPQLC-IBGZPJMESA-N	557.648	3.125	0	20	KGAD	
CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1nc(-c2cccs2)no1	514405183	SHVDDEMAYOPRBT-UHFFFAOYSA-N	519.649	3.458	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(NC(=O)C(C)C)cc3)CC2=O)cc1	514302558	GPPQMWDYFIPURO-GOSISDBHSA-N	500.621	3.303	0	20	KGAD	
CCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nnc1-c1cccc(C)c1	514386376	MQVRHIDCCROVNR-UHFFFAOYSA-N	559.714	3.306	0	20	KGAD	
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	514388390	SLDNRYITPCXQKP-UHFFFAOYSA-N	504.922	3.235	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CC1	514390404	IXSJICQHRVUYAG-LJQANCHMSA-N	533.701	3.489	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)CCOc2ccc(Br)cc2)CC1	514291060	BLFLRDLIRHFBLD-UHFFFAOYSA-N	539.448	3.174	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(c3cccc(OC)c3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292073	JYFLQELSSCNMCN-UHFFFAOYSA-N	569.728	3.147	0	20	KGAD	
CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514302096	AYMRBMBYBFKAMN-SFHVURJKSA-N	515.661	3.029	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CSc2nc3ccccc3c(=O)n2[C@H](C)COC)C2CCCC2)c(O)nc1=O	514385573	MWNCKJWZUFIHKY-QGZVFWFLSA-N	556.689	3.316	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCCC1	514290920	BILKZRLMMBMFTB-UHFFFAOYSA-N	521.661	3.215	0	20	KGAD	
O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514299543	HWBZTMJINABWCT-UHFFFAOYSA-N	531.612	3.268	0	20	KGAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC	514300784	QGVYKRVEIXVDJP-UHFFFAOYSA-N	518.510	3.012	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCCN3CCCC3=O)n2-c2ccccc2)c1	514374918	ICNRKQDQUOKXNC-UHFFFAOYSA-N	570.741	3.186	0	20	KGAD	
O=C(CSCc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514375233	NBJFZYFATMAHKD-UHFFFAOYSA-N	526.080	3.069	0	20	KGAD	
CCCCCn1c(CCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)nc2c1c(O)nc(=O)n2CCCC	514377426	UZAWCZGNDKXGMT-XMMPIXPASA-N	568.719	3.420	0	20	KGAD	
COc1ccc(CN2CCCN(C(=O)CSc3nnc(N4CCOCC4)n3-c3ccc(C)cc3)CC2)cc1	514395653	PLWHSUAIVSDULR-UHFFFAOYSA-N	536.702	3.248	0	20	KGAD	
CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2)CC1	514401190	OXDVFWFTRZUPEJ-UHFFFAOYSA-N	513.616	3.327	0	20	KGAD	
CCCn1c(SCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)nc2cc(Cl)ccc2c1=O	514403263	XQAXYTGVYNBUOL-UHFFFAOYSA-N	515.035	3.341	0	20	KGAD	
O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)sc2C1)c1cnc(Cl)s1	1825652153	NDTZBAXFOIGNES-AAINXJRWSA-N	500.005	3.389	0	20	KGAD	
CCc1nnsc1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514299589	GNKWHWYMGYQJNT-UHFFFAOYSA-N	502.462	3.285	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1	514301004	VFQVDIYACPZPMB-FQEVSTJZSA-N	550.747	3.449	0	20	KGAD	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	514378238	CNKJZPHXPLUUAU-PMACEKPBSA-N	515.632	3.128	0	20	KGAD	
CCc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)N(C)C)cc1	514404780	MLGXHKYUKSMOGK-XMMPIXPASA-N	515.676	3.230	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)n2CC(C)C	514291795	HUMOQCMZBKZGHE-UHFFFAOYSA-N	532.667	3.013	0	20	KGAD	
CCCCNS(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)c1	514384348	OUMGVHYMFXOBIN-UHFFFAOYSA-N	523.677	3.203	0	20	KGAD	
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	514386175	GQCSQDVOBKTQRS-UHFFFAOYSA-N	521.665	3.030	0	20	KGAD	
C[C@H](NC(=O)CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)c1ccc(Br)cc1	514402981	OCVMZJRCKNWUQT-MAUKXSAKSA-N	510.458	3.026	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@@H]1CCN(C2CC2)C1	519920143	NLGPTESDFIIMOU-CZUORRHYSA-N	500.008	3.112	0	20	KGAD	
CCCCCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514293969	YEAFGVLLJUZYLK-MRXNPFEDSA-N	530.510	3.477	0	20	KGAD	
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	514374939	IMEPHTYTOBBWEX-KDURUIRLSA-N	529.688	3.418	0	20	KGAD	
COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	514380327	HZFOTRFWPCQSEU-KBPBESRZSA-N	519.439	3.056	0	20	KGAD	
COc1cccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1	514385691	RDJLGXVCWDYSGL-GOSISDBHSA-N	501.634	3.383	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)c1	514292058	KMGBHDBYFMQQQD-UHFFFAOYSA-N	501.624	3.235	0	20	KGAD	
COC(=O)C1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2cccc(OC)c2)CCC4)CC1	514293117	SCJJRQPDNRUERW-UHFFFAOYSA-N	513.641	3.448	0	20	KGAD	
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	514296535	RVCKMOWILRHXTD-AMIJONBRSA-N	503.555	3.482	0	20	KGAD	
O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1	514296746	PITSUEBPVNHUIM-UHFFFAOYSA-N	531.679	3.045	0	20	KGAD	
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1	514298594	BPIRAIRKSIVRON-UHFFFAOYSA-N	526.581	3.131	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)CC1	514380232	JYKYDPBSGVPXQD-UHFFFAOYSA-N	597.738	3.214	0	20	KGAD	
C[C@@H]1CCCN(c2nnc(SCC(=O)NCc3ccccc3CN3CCOCC3)n2Cc2ccco2)C1	514393502	CVUDOHDMLGBHBE-OAQYLSRUSA-N	524.691	3.396	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc3ccccc3)c1N)n2CC(C)C	514405722	YQRZJGUYYZBAEW-UHFFFAOYSA-N	606.728	3.269	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2OC)cc1Br	514297732	UIRFIQOMEZQBBG-IAGOWNOFSA-N	580.457	3.381	0	20	KGAD	
COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1=O	514299876	JXUGPYRALKXJCN-HXUWFJFHSA-N	505.402	3.199	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc(Br)ccc4Br)CC3)CC2)cc1	514378889	JKWQSDYZMPQOSF-UHFFFAOYSA-N	665.426	3.154	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1c(O)nc(=O)n(CCC)c1N	514383450	JGGVONJULZZEBM-UHFFFAOYSA-N	517.681	3.445	0	20	KGAD	
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1	514394587	OUOLVEJTTFJRFY-HVETUWLQSA-N	532.615	3.460	0	20	KGAD	
Cc1sc2nc(CS[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc(O)c2c1C	514403104	IITGQFZZIABUAN-OAHLLOKOSA-N	522.674	3.295	0	20	KGAD	
COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1S(=O)(=O)N1CCCCC1	514403733	ORYANXDFODLPBM-UHFFFAOYSA-N	509.650	3.151	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1	514296053	JCVIBSQYPSYJNL-UHFFFAOYSA-N	534.704	3.354	0	20	KGAD	
COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)cc1S(=O)(=O)N1CCCCC1	514376378	JPXFUUPSOIUEFF-UHFFFAOYSA-N	505.622	3.298	0	20	KGAD	
O=C(NCC1(N2CCOCC2)CCCCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514377340	RONYYYMOBQQLCQ-UHFFFAOYSA-N	517.614	3.257	0	20	KGAD	
COC(=O)C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC)c(OC)c1	514389513	HYSRORXMIWNZQU-HXUWFJFHSA-N	504.605	3.221	0	20	KGAD	
CCCn1c(CCC(=O)Nc2cnc3c(cnn3C(C)C)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514390449	KGYNEDZEVAERMD-UHFFFAOYSA-N	539.662	3.364	0	20	KGAD	
Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)n([C@H]2CCS(=O)(=O)C2)n1	514391719	PNWCCLPJQKLTEG-HNNXBMFYSA-N	510.041	3.226	0	20	KGAD	
COCNc1ncnc2c1ncn2CCOC[P@@](=O)(OCOC(=O)O)OC(OC(=O)O)(C(C)C)C(C)C	2048529594	QBHCHPAQRNVOOZ-DIPNUNPCSA-N	549.474	3.398	0	20	KGAD	
Cn1c(CCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292211	ILPOHMOHVWXPST-UHFFFAOYSA-N	585.086	3.421	0	20	KGAD	
C[C@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	514374244	OMTSGFSMPCKKNS-ZDUSSCGKSA-N	506.675	3.243	0	20	KGAD	
CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	514376056	AUEUKIZTTFZAED-JOCHJYFZSA-N	519.689	3.425	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	514380739	ORWQWNQPHKTXFA-CTNGQTDRSA-N	587.768	3.453	0	20	KGAD	
O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H](c2nnc3ccccn23)C1	514389479	HSSGPMGZVRGEAA-CYBMUJFWSA-N	501.918	3.086	0	20	KGAD	
O=C(CCn1cnc2sccc2c1=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514393377	YKPXEPNSKZLSIZ-UHFFFAOYSA-N	568.521	3.419	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1c(O)nc(=O)n(CCCC)c1N	514394090	OUWZPQYRKLBJCN-UHFFFAOYSA-N	551.652	3.262	0	20	KGAD	
CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2scc(-c3cccs3)c2c1=O	514403692	YWSAZULDYNKRSR-CVEARBPZSA-N	553.753	3.493	0	20	KGAD	
Cc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)N2CCOCC2)o1	514405001	PTZTWHMCWRQXSZ-JOCHJYFZSA-N	515.657	3.200	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cc(Cl)ccc2OC)c(C(=O)OC)c1C	514296806	OHQDFBAMWAUNQK-CYBMUJFWSA-N	565.091	3.330	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)CC2)cc1OC	514298612	CLZQJFXAGXTBBQ-HSZRJFAPSA-N	573.712	3.368	0	20	KGAD	
Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1	514404216	CIWSCGQQEISTSC-UHFFFAOYSA-N	547.056	3.225	0	20	KGAD	
Nc1c(C(=O)N2CC[C@@H](CNC(=O)c3cnc(Cl)s3)[C@H]2c2cccnc2)sc2nccnc12	1811030903	QBFHWJKXNKVVOU-BLLLJJGKSA-N	500.009	3.412	0	20	KGAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	514379489	AZYHCUKTKAGZJR-UHFFFAOYSA-N	570.089	3.238	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(c4ccccc4F)CC3)nnc12	514386289	JILYZMAOBRXBJJ-UHFFFAOYSA-N	524.622	3.051	0	20	KGAD	
C[C@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	514387953	KESZMWAWNLAKGF-PKOBYXMFSA-N	504.703	3.299	0	20	KGAD	
CCCn1c(CCC(=O)N(C)Cc2sccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514390475	LCXYNEBZDICPLR-UHFFFAOYSA-N	504.678	3.428	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN([C@@H](C(=O)NCc4ccccc4)c4ccccc4)CC3)CC2)cc1OC	514390664	SFMIVLIEVDQWPB-WJOKGBTCSA-N	620.772	3.306	0	20	KGAD	
O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@H]1c1cccnc1)c1sccc1Cl	1811099269	NOHGROWGONMIJA-KSSFIOAISA-N	500.005	3.499	0	20	KGAD	
C[C@@H]1CCc2c(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)csc2C1	514292705	PBNGGIXTDXHYMK-OAHLLOKOSA-N	526.080	3.258	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)ccc1C	514380248	KMDGEFUNNHBGCI-UHFFFAOYSA-N	552.719	3.259	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o1)n2CC	514385863	XHDCFXAGRKTPCQ-UHFFFAOYSA-N	561.690	3.491	0	20	KGAD	
COC(=O)CCCCCn1c(SCC(=O)NCC(=O)Nc2cc(C)ccc2OC)nc2ccccc2c1=O	514402002	ISSWQOUPFDLTQR-UHFFFAOYSA-N	540.642	3.294	0	20	KGAD	
CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514292551	LSCGSBOINAPCTR-QZTJIDSGSA-N	541.761	3.416	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1CCCN(C)C)CCCC3	514293859	WYIWGYONSWGIQI-UHFFFAOYSA-N	635.834	3.049	0	20	KGAD	
CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1	514296791	KRRIMAKGVKSEOM-AWEZNQCLSA-N	518.865	3.213	0	20	KGAD	
Cc1c(-c2ccccc2)sc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1C(=O)N1CCOCC1	514378912	ZDBQRKLLQCHNIB-UHFFFAOYSA-N	510.616	3.389	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1	514381154	ZMGVCDQDNKDSNU-UHFFFAOYSA-N	539.676	3.208	0	20	KGAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O	514381396	DBVVYBZUEGMHQS-HHHXNRCGSA-N	556.641	3.321	0	20	KGAD	
Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1S(=O)(=O)N1CCCCC1	514382089	GCASGPCYSXTVHE-UHFFFAOYSA-N	519.067	3.220	0	20	KGAD	
COc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514388532	ZXFFFSHXMGDJGM-CALCHBBNSA-N	506.621	3.318	0	20	KGAD	
CCCCn1c(SCC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376253	FELDEVVFMPPHHF-UHFFFAOYSA-N	669.830	3.285	0	20	KGAD	
Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cccc1-n1cnnn1	514376574	CLXPOMOTAMNDII-UHFFFAOYSA-N	509.636	3.388	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2)cc1	514385212	CVFUECDQEWFQDA-UHFFFAOYSA-N	527.643	3.141	0	20	KGAD	
COc1ccc(C2=NN(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)[C@@H](c3ccco3)C2)cc1	514388944	VYOPLXMPRMQDSQ-DNVCBOLYSA-N	516.601	3.118	0	20	KGAD	
O=C(c1cc(N2CCOCC2)ccn1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	514389854	PGRYKXOHMJKZDX-UHFFFAOYSA-N	552.497	3.103	0	20	KGAD	
C[C@@H](c1nnc(S[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1ccc(F)cc1)N(C)C	514293865	ULASSEOWSQZBRN-DLBZAZTESA-N	500.600	3.087	0	20	KGAD	
CC(C)CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514294770	BTYJHAMHYINGSG-UHFFFAOYSA-N	567.712	3.376	0	20	KGAD	
COc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514299943	LKAMBPWRBHLCDA-SFTDATJTSA-N	556.729	3.375	0	20	KGAD	
COc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514301139	XCDCPCIXYQLKIJ-NHCUHLMSSA-N	515.676	3.124	0	20	KGAD	
CCCCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514375781	VSTOJYNMXOWVKQ-UHFFFAOYSA-N	547.678	3.162	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)nnc2-c2ccc(Cl)cc2)cc1	514386596	UQKMGATVUFDIRQ-JOCHJYFZSA-N	576.144	3.410	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)ccc1OC	514388864	UGKIJWSJGNFQSG-UHFFFAOYSA-N	515.588	3.197	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccc(OC)c(Cl)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514405210	SAMGMJRDPLVUIU-UHFFFAOYSA-N	507.012	3.310	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)nc3)CC2)cc1	514405284	VNHNPCYCMOVPEY-UHFFFAOYSA-N	511.604	3.100	0	20	KGAD	
C[C@@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccc(Cl)cc2)O[C@H]1n1ccc(O)nc1=O	2048529151	KXMCPPZKQDHHKJ-PDKZGUECSA-N	502.882	3.311	0	20	KGAD	
CCn1c(SCC(=O)NCc2ccc(OC)c(OC)c2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514374429	BPMFPIYYEVOECF-UHFFFAOYSA-N	545.687	3.175	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1CCN1CCOCC1)N(C)C	514375707	UHPLLONNQJYKTP-SFHVURJKSA-N	500.591	3.373	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c(O)nc1=O	514379127	MNDYFURGWYLDKI-BCHFMIIMSA-N	531.654	3.440	0	20	KGAD	
O=C(Cc1csc(-c2ccccn2)n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514383178	HKPPQDWPNYLKDF-UHFFFAOYSA-N	527.672	3.398	0	20	KGAD	
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@H](C(=O)NC[C@@H]4CCCO4)C(C)C)nnc23)c1	514403192	WRXMHCVJEOQDDO-UGKGYDQZSA-N	507.616	3.454	0	20	KGAD	
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514296037	NWQQGMLKEIAQNY-OALUTQOASA-N	533.695	3.157	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1	514300168	UMXUIZQHKQHKIG-UHFFFAOYSA-N	511.641	3.348	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)ccc1C	514302059	LNQGDCBMILSJMS-UHFFFAOYSA-N	522.693	3.128	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)c3)CC2)c(OC)c1OC	514302169	CRAPRFKMDYOSAX-OYRHEFFESA-N	545.702	3.337	0	20	KGAD	
CC(=O)c1cccc(NC(=O)CCCCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	514380528	MLCJWTMCRJWQCA-UHFFFAOYSA-N	521.661	3.151	0	20	KGAD	
C[C@@H](NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(Cl)cc1	514382571	QFYLERUONHOTSQ-GOSISDBHSA-N	507.056	3.250	0	20	KGAD	
CCCCCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3	514384717	SZTNOEVGMDZULX-MSOLQXFVSA-N	553.772	3.424	0	20	KGAD	
CC1CCN(c2nnc(SCC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO2)CC1	514394134	QNOGSWRSGRZYEE-VQTJNVASSA-N	553.776	3.063	0	20	KGAD	
CCCCn1c(CN2CCC(C(=O)N3CCCCC3)CC2)nc2c1c(O)nc(=O)n2Cc1ccccc1	514400801	ARDSVINMNBQNQA-UHFFFAOYSA-N	506.651	3.372	0	20	KGAD	
COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]2c2ccccc2OC)cc1	514404671	IASYHMFHMABZTP-ZEQKJWHPSA-N	501.587	3.327	0	20	KGAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc(=O)c2c1C	514302178	LVSMSQBYMDCNQC-UHFFFAOYSA-N	599.156	3.280	0	20	KGAD	
CCCNC(=O)CSc1nnc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)s1	514376736	QJWKJRGUMZFPJF-UHFFFAOYSA-N	531.751	3.226	0	20	KGAD	
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)nc(O)c2c1C	514380459	NMBQELBDIVEJES-SFHVURJKSA-N	607.780	3.132	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccc(Cl)cc3)c3nccn3C)CC2)cc1OC	514388905	VAEIWSMGKYHPED-QHCPKHFHSA-N	533.050	3.397	0	20	KGAD	
CC(=O)c1c(C)cc(C)c(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c1C	514391474	KTBNDBRVUNBPQF-UHFFFAOYSA-N	501.649	3.284	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3cc(Cl)ccn13)CC2	1815627877	PCDXEIPBOPMRAW-CYBMUJFWSA-N	500.009	3.252	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292785	MZQGDVVLHFLWQV-UHFFFAOYSA-N	500.621	3.437	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nc3ccc(OC)cc3s2)c(O)nc1=O	514294032	VITBVNNRONUSAN-UHFFFAOYSA-N	516.624	3.357	0	20	KGAD	
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514295807	HQJLBBBNNYDROM-UHFFFAOYSA-N	527.615	3.179	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)CC2)cc1OC	514300495	WTNVRGUNMQJKSQ-OAQYLSRUSA-N	510.056	3.177	0	20	KGAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514383840	MLAWFEVFZBAIJN-ROUUACIJSA-N	515.661	3.048	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nc1	514388544	OVDJXCFFMJUAKU-AWEZNQCLSA-N	535.113	3.135	0	20	KGAD	
COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1	514375785	VXHKCAGKDYETST-NRFANRHFSA-N	591.687	3.024	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1c(O)nc(=O)n(CCCC)c1N	514379383	RFTDXRWMHSJHMJ-QFIPXVFZSA-N	526.682	3.025	0	20	KGAD	
COc1ccccc1-c1nnc(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)n1C	514386192	HBTGMXULBGVGFK-UHFFFAOYSA-N	548.591	3.385	0	20	KGAD	
CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514401267	QZSIGOVPUGTSCS-SFHVURJKSA-N	567.417	3.289	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N1CCC[C@@H]1c1ccc(C)cc1	514401792	DUHBEIDUMYOYMY-HSZRJFAPSA-N	547.699	3.060	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nncn3CCc3cccs3)cc2)C[C@H](C)O1	514405413	VQTNSJOJOBPANN-IRXDYDNUSA-N	521.690	3.111	0	20	KGAD	
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1	514405647	ZZNWGOSNSNUHMG-NRFANRHFSA-N	522.023	3.192	0	20	KGAD	
N[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cnc4snnc4c3)sc2C1)c1cccc(Cl)c1	1821276671	GSOXITBCZPMFNW-GUYCJALGSA-N	500.009	3.122	0	20	KGAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1)C(=O)N(C)C	514384851	ZRCLBRXSDVBNTK-SFHVURJKSA-N	521.709	3.430	0	20	KGAD	
COc1ccc(NC(=O)CCN(C)CC(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1	514391570	LQEXKYZNVOESNG-UHFFFAOYSA-N	502.637	3.077	0	20	KGAD	
CCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)cc1	514393801	KWRVSPKOBQEEJU-UHFFFAOYSA-N	524.665	3.064	0	20	KGAD	
NC(=O)CCc1nnc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n1C[C@H]1CCCO1	514394937	XASVUUQYWKFAJD-OAQYLSRUSA-N	503.644	3.468	0	20	KGAD	
CCC(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)cc1	514291766	IDZRFZWZUAEPMK-UHFFFAOYSA-N	503.621	3.164	0	20	KGAD	
CCCCn1c(CCC(=O)NCc2ccc(S(=O)(=O)NC)s2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514301665	BQMLNZZKOQLVRU-UHFFFAOYSA-N	569.775	3.086	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccco3)cc2)C[C@@H](C)O1	514376247	DZELOLWRIOCKRS-IAGOWNOFSA-N	531.660	3.326	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514377714	GJKVMYGTTGHHAR-UHFFFAOYSA-N	606.767	3.133	0	20	KGAD	
Cc1ccc([C@H](CNC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)N2CCOCC2)o1	514393999	FBFDEJWARVEHAZ-QHCPKHFHSA-N	541.626	3.353	0	20	KGAD	
COc1cccc(-n2c(S[C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)nc3sc4c(c3c2=O)CCC4)c1	514395243	GFZJDHBQRLMLCE-HUUCEWRRSA-N	512.657	3.149	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1	514291623	GVSCUQUFWWYYQV-AZGAKELHSA-N	527.712	3.257	0	20	KGAD	
CC1CCN([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c2cccs2)CC1	514293480	RCQIRSQNRBSNNY-QHCPKHFHSA-N	520.721	3.038	0	20	KGAD	
CCOc1ccc(OCCNC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)cc1	514303076	SSTPRRBKIHQFEW-JOCHJYFZSA-N	503.669	3.379	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2cccc(Br)c2)c1	514303385	LPTZLKMPIGXAJX-UHFFFAOYSA-N	526.453	3.334	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccco3)cc2)C[C@@H](C)O1	514376246	DZELOLWRIOCKRS-CALCHBBNSA-N	531.660	3.326	0	20	KGAD	
CC1CCN([C@H](CNC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)c2cccs2)CC1	514377711	GGLFLRILLWESIT-XMMPIXPASA-N	559.758	3.178	0	20	KGAD	
COCCCN(C(=O)COc1c(I)cc(Cl)c2cccnc12)c1c(O)nc(=O)n(CC(C)C)c1N	514402814	FIGHVJVKHYEINJ-UHFFFAOYSA-N	615.856	3.442	0	20	KGAD	
O=C(CSc1nc[nH]n1)N[C@@H]1CCc2nc(NC(=O)c3cnc4cccc(Cl)c4c3)sc2C1	1824318330	BLYWQCXIPJAPOM-GFCCVEGCSA-N	500.009	3.481	0	20	KGAD	
CC[C@H](C)NC(=O)CSc1nnc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1-c1ccccc1	514292442	KYCCAEGVYGZKSK-IBGZPJMESA-N	529.688	3.270	0	20	KGAD	
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514296035	NWQQGMLKEIAQNY-KDURUIRLSA-N	533.695	3.157	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c(C(=O)OC)c1C	514297873	VXBRZVDNYXBTRD-VXKWHMMOSA-N	641.834	3.382	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(O)nc1=O	514379158	NRJWDXDDHFWKTF-UHFFFAOYSA-N	543.646	3.336	0	20	KGAD	
C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(Cc2ccc(Br)s2)CC1	514382630	SVCJTPBEPHZYHB-GFCCVEGCSA-N	519.387	3.189	0	20	KGAD	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1	514383002	DPZBNJOHZUNMEJ-IBGZPJMESA-N	508.648	3.244	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2cc(OC)cc(OC)c2)c1	514386790	CERQZVUXTNKZEV-UHFFFAOYSA-N	505.637	3.142	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)ccc1OC	514401738	CRHMTXDRIZLOLZ-OAQYLSRUSA-N	510.056	3.182	0	20	KGAD	
CCCCn1c(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514296310	OEIKIDWPVVCHIU-XMMPIXPASA-N	553.729	3.181	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1c(O)nc(=O)n(CCC)c1N	514379038	MBTRPYXNNVTOFT-UHFFFAOYSA-N	586.690	3.038	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(O)nc1=O	514379155	NOBFFXXFLCTAND-UHFFFAOYSA-N	543.646	3.336	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	514380218	JPSUUQQTRDKMMS-UHFFFAOYSA-N	513.538	3.136	0	20	KGAD	
COc1ccccc1[C@H](CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)N1CCCC1	514377777	IQRAKLRDBUBBAE-ROKPMTFOSA-N	501.649	3.060	0	20	KGAD	
CC(C)CCN(C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514383141	GTAJNMNMWJXDFM-UHFFFAOYSA-N	589.665	3.338	0	20	KGAD	
CCCCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514386508	QQKUHBBKADFKLR-UHFFFAOYSA-N	583.758	3.076	0	20	KGAD	
COc1ccc(Cn2c(SCC(=O)NC[C@H]3CN(CC(C)C)CCO3)nc3ccccc3c2=O)cc1OC	514386658	XEHRQTWRBDYABH-NRFANRHFSA-N	540.686	3.027	0	20	KGAD	
CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccccc3N3CCCC3=O)C2=O)cc1OCCC	514391109	FVARXULPROLSCG-UHFFFAOYSA-N	522.558	3.325	0	20	KGAD	
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1	514392613	ZCDZRULYWQPKFV-UHFFFAOYSA-N	539.584	3.419	0	20	KGAD	
CCCCn1c(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514296309	OEIKIDWPVVCHIU-DEOSSOPVSA-N	553.729	3.181	0	20	KGAD	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	514379055	MZOVHCPVURSRSN-UHFFFAOYSA-N	651.399	3.272	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	514387239	LTXLZJDKLYCZES-UHFFFAOYSA-N	582.478	3.205	0	20	KGAD	
CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@H]3[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@]12C	669679234	RAQNTCRNSXYLAH-IAZFFKMMSA-N	638.883	3.296	0	20	KGAD	
CCn1cc(C(=O)N2CCCCCC2)c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc21	514291731	GNWUBSAQYGZUKZ-UHFFFAOYSA-N	598.697	3.459	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)CC1	514300673	PWACVLKLVPDKHG-UHFFFAOYSA-N	507.660	3.452	0	20	KGAD	
COc1ccc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)cc1OC	514379602	APMCCCIZEPJLRR-QGZVFWFLSA-N	517.467	3.183	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1ccc(C(C)C)cc1	514381573	JPIZHNQJEPQPFB-UHFFFAOYSA-N	521.661	3.150	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514393215	RTISQLQHFLRDPM-UHFFFAOYSA-N	513.620	3.013	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c(O)nc1=O	514395239	GEWPNKIIGGTUDD-AWEZNQCLSA-N	533.680	3.146	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C	514296675	JZUQFKMCGIVJDD-QWRLVCTISA-N	547.718	3.402	0	20	KGAD	
CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(-c4ccc(F)cc4)n3CCN3CCOCC3)ccc21	514384517	USXGCAMWSWBJLF-UHFFFAOYSA-N	559.689	3.104	0	20	KGAD	
CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1	514387838	MBCUDVXCSXCXJQ-VWLOTQADSA-N	513.704	3.298	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NCc2ccc(CN3CCCCC3)cc2)c(O)nc1=O	514390866	WTFZACHYHDVBJA-UHFFFAOYSA-N	540.709	3.403	0	20	KGAD	
C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F)C(=O)N[C@H]1CCS(=O)(=O)C1	514402092	FHRSOPFBVKPPRX-HOTGVXAUSA-N	531.626	3.056	0	20	KGAD	
O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@H]1c1cccnc1)c1ccc(Cl)s1	1805527334	REXCNQMKXJYWBA-LIRRHRJNSA-N	500.005	3.499	0	20	KGAD	
COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)cc1	514292789	MZYGSDBEQSERTO-RBUKOAKNSA-N	523.677	3.124	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCOc1ccccc1OC)n2CC	514296065	JFGAEVHFCYQSCG-UHFFFAOYSA-N	502.637	3.223	0	20	KGAD	
COc1ccc(CCNC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)cc1OC	514302721	RARHZIIPMQBOLT-FQEVSTJZSA-N	503.669	3.162	0	20	KGAD	
Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2C)c1	514374462	CTHSKSUPZFJGSN-GOSISDBHSA-N	515.661	3.239	0	20	KGAD	
COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1S(=O)(=O)N(C)C	514385238	DUHACQVJVKHRBH-MRXNPFEDSA-N	537.689	3.175	0	20	KGAD	
CCn1c(SCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)nnc1-c1ccccc1OC	514390328	GCXCMTXGJLUPOW-UHFFFAOYSA-N	515.661	3.295	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N[C@H](CC(=O)OC)c1ccc(OC)c(OC)c1)n2CC(C)C	514390854	DKPUMQCXAVPQLC-LJQANCHMSA-N	557.648	3.125	0	20	KGAD	
CCOc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1S(=O)(=O)N1CCOCC1	514403671	YCSAVBBKNKNJFJ-UHFFFAOYSA-N	512.510	3.113	0	20	KGAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2CC)n1	514294024	VRVVYOOWTUNUNX-UHFFFAOYSA-N	564.715	3.042	0	20	KGAD	
COC(=O)CCCCCn1c(S[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O	514302172	CRGCPEQJMYDUNU-LJQANCHMSA-N	540.642	3.188	0	20	KGAD	
CCCCN(C(=O)CCSCC(=O)Nc1ccc(C(=O)OCC)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514379506	WCNNRBYRHBCSMC-UHFFFAOYSA-N	547.678	3.259	0	20	KGAD	
O=C(CCc1ccc2c(c1)OCCO2)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514390436	JYLXAVXSEHWGTP-UHFFFAOYSA-N	515.632	3.040	0	20	KGAD	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	514400863	CRYLBBWAXACPMT-UHFFFAOYSA-N	501.605	3.291	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N1CCN(Cc2ccsc2)CC1)c1c(O)nc(=O)n(CCCC)c1N	514301932	ILONGNPIYNHZDV-UHFFFAOYSA-N	532.711	3.041	0	20	KGAD	
CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514375966	XZVARXZISCPCNR-QGZVFWFLSA-N	500.646	3.147	0	20	KGAD	
COc1ccc(C2=NN(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)[C@H](c3ccco3)C2)cc1	514388946	VYOPLXMPRMQDSQ-KXBFYZLASA-N	516.601	3.118	0	20	KGAD	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1	514401882	AOXASWRUFLUYIS-CVDCTZTESA-N	582.679	3.297	0	20	KGAD	
COCCN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1c(O)nc(=O)n(CC(C)C)c1N	514291756	HYTHQORIJCFGLG-UHFFFAOYSA-N	543.694	3.052	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(F)cc2Br)c1	514293178	RLUPWGKJVBSURS-UHFFFAOYSA-N	544.443	3.473	0	20	KGAD	
O=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	514301030	WGDUTLSHONEERT-KRWDZBQOSA-N	514.376	3.313	0	20	KGAD	
CCCCCn1c(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)nc2c1c(O)nc(=O)n2CCCC	514379843	VKJAUFJNSBTSQQ-UHFFFAOYSA-N	532.667	3.111	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN(CC(=O)Nc1c(C)cccc1C)CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1	514380571	NDQFUELQGGOQPF-VWLOTQADSA-N	570.756	3.471	0	20	KGAD	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	514381105	XNYAVBPXBFBPDI-UHFFFAOYSA-N	550.486	3.054	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc(CN2CCCC2=O)cc1	514385148	ZTYYBYIOAKAKDO-UHFFFAOYSA-N	541.548	3.023	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1	514386716	ZLUNAIBROYESRP-UHFFFAOYSA-N	524.647	3.082	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)c(O)nc1=O	514387449	HTYKLLXVHPJYTB-UHFFFAOYSA-N	524.548	3.026	0	20	KGAD	
CCCn1c(SCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)nc2sc3c(c2c1=O)CCC3	514389816	NJEVMEQWUXNPME-ZDUSSCGKSA-N	518.686	3.074	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)cc2)C[C@@H](C)O1	514294171	ZPDLTDNGYLWBRA-IAGOWNOFSA-N	542.079	3.175	0	20	KGAD	
C[C@@H]1Cc2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCCCC3)ccc2N1S(C)(=O)=O	514301625	BAEFIEKZJGGGAK-HXUWFJFHSA-N	576.741	3.051	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)[C@H]1CC(=O)N(C2CC2)C1	514383146	ZKVHBEGQQHBFCT-HNNXBMFYSA-N	503.543	3.142	0	20	KGAD	
COC(=O)c1c(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)sc(C)c1C	514383328	GVZXAOUCQDWAJJ-UHFFFAOYSA-N	528.553	3.245	0	20	KGAD	
COCCN(C(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1	514385782	USYUIHGNDAQNTG-SFHVURJKSA-N	575.116	3.073	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514386958	APDANWCJZPOEDT-UHFFFAOYSA-N	576.560	3.141	0	20	KGAD	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1	514389954	SSSDGYLEVOAROZ-UHFFFAOYSA-N	517.630	3.327	0	20	KGAD	
COc1ccc([C@H](NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c2nccn2C)cc1	514390920	BNMPRISOTGYPRE-FQEVSTJZSA-N	514.512	3.007	0	20	KGAD	
CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)N(CC(=O)O)CC1	204963487	DESFUKLVJKDDQR-UHFFFAOYSA-N	502.609	3.013	0	20	KGAD	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)cc2)C1	514291224	BLRJWYPYCSYAGU-ROUUACIJSA-N	518.661	3.076	0	20	KGAD	
O=C(NCCCN1CCCCCC1=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514297728	ZRMWHJJORPUWDK-UHFFFAOYSA-N	504.697	3.374	0	20	KGAD	
CS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1	514392453	WGNLDXBCKXNBTO-UHFFFAOYSA-N	502.906	3.055	0	20	KGAD	
COCCCN(C(=O)CSc1nnc(C(C)C)n1Cc1ccco1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514403896	SPXGBIDQYKJSKW-UHFFFAOYSA-N	567.672	3.097	0	20	KGAD	
O=C(CSc1ncccn1)N[C@@H]1CCc2nc(NC(=O)c3cnc4cc(Cl)ccn34)sc2C1	1816072652	ACFDEJRGWOEDKE-CYBMUJFWSA-N	500.009	3.252	0	20	KGAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1SCC(=O)N1CCCC1	514298009	ZDENBCUUESLVLJ-UHFFFAOYSA-N	524.064	3.328	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1	514377029	KDBIESVKAHLNPQ-UHFFFAOYSA-N	579.741	3.071	0	20	KGAD	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1	514377277	PVBHUAKGDXQNJO-UHFFFAOYSA-N	509.632	3.264	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1cc(OC)ccc1OC)c1c(O)nc(=O)n(CCCC)c1N	514379461	AEXQDARKTUFVFY-UHFFFAOYSA-N	503.600	3.291	0	20	KGAD	
COc1ccccc1[C@H](CNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)N1CCCC1	514379631	BJZSDNPVTWWSIT-GOTSBHOMSA-N	505.706	3.357	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1c(O)nc(=O)n(CCCC)c1N	514382145	IAEFYWMEQULXGY-UHFFFAOYSA-N	578.736	3.350	0	20	KGAD	
Cc1ccc(C)c(-n2c(SCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)c1	514383351	GYNNRLSNLVQNOR-RTWAWAEBSA-N	541.695	3.289	0	20	KGAD	
CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCO1	514392176	VGCNRWUMFNGISS-HXUWFJFHSA-N	529.688	3.451	0	20	KGAD	
COCCCn1c(S[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)nc2cc(C(=O)OC)ccc2c1=O	514395351	IRHXBXSTGQWPLO-KNQAVFIVSA-N	538.670	3.091	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C	514405434	WGRTUCHOCZMVJO-RUZDIDTESA-N	598.722	3.387	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514291872	HVTVPSQXIZEWPM-HNNXBMFYSA-N	596.657	3.402	0	20	KGAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	514294250	YLVUWUSMLSCPDT-HXUWFJFHSA-N	545.605	3.217	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)Nc2cccc(-n3cnnn3)c2C)c1	514299230	DFGREPVXIDNHLD-UHFFFAOYSA-N	511.652	3.490	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1	514293966	UPCOVHINJJUMQH-HSZRJFAPSA-N	521.661	3.100	0	20	KGAD	
CC(=O)Nc1ccc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NCCC3=CCCCC3)c2=O)cc1	514298165	WBMWJEQUKIUPQH-UHFFFAOYSA-N	509.672	3.099	0	20	KGAD	
CC(C)OCCCn1c(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)nc2cc(Cl)ccc2c1=O	514301244	YOMDRRPKYPGJGK-UHFFFAOYSA-N	552.141	3.016	0	20	KGAD	
C[C@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)CC1	514389421	GLQDXAJKFOMDIQ-JOCHJYFZSA-N	506.676	3.161	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N[C@@H](CC)c2ccc(OC)cc2)c(O)nc1=O	514403758	PKUQRZLWMNBZGX-FQEVSTJZSA-N	501.628	3.377	0	20	KGAD	
CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(CCOC)[C@H]4CCS(=O)(=O)C4)nnc23)cc1	514403929	UGOADSSDCCJDHC-KNQAVFIVSA-N	583.736	3.301	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514292731	PQRPKKFDBVOYOW-UHFFFAOYSA-N	545.658	3.135	0	20	KGAD	
O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NC[C@@H](c1ccco1)N1CCCCC1	514296818	OIXORSYBUXQRLC-NRFANRHFSA-N	505.637	3.233	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc4c(c3)CCN4S(=O)(=O)CC)nnc12	514383314	GLYHJTWKEDXYNO-UHFFFAOYSA-N	555.682	3.158	0	20	KGAD	
COCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1Br)c1c(O)nc(=O)n(CC(C)C)c1N	514389170	AYYANZOKKOIJEK-LBPRGKRZSA-N	517.808	3.050	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)n1-c1ccc(F)cc1)N(C)C	514389985	ULRYNIXOKDVAJG-GOSISDBHSA-N	511.627	3.497	0	20	KGAD	
Cc1cc(NC(=O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n([C@H]2CCS(=O)(=O)C2)n1	514391443	JUFDHDXCHRYUHJ-DEOSSOPVSA-N	543.640	3.175	0	20	KGAD	
CCOc1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)cc1S(=O)(=O)N(CC)CC	514404209	CCKVQPRMIFTNNL-UHFFFAOYSA-N	588.756	3.323	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)ccc1Cl	514294909	DDDOSTSSDIXIFW-UHFFFAOYSA-N	543.111	3.473	0	20	KGAD	
COc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCOC(C)C)cc2c1OCCO2	514296196	GUJNEUZRANNCSC-UHFFFAOYSA-N	531.631	3.319	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCN(CCOc2ccccc2)CC1	514299294	KAKJDGITJYCODX-UHFFFAOYSA-N	525.593	3.329	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccccc2I)c1	514299714	PCGIUZLZFWBWMQ-UHFFFAOYSA-N	543.427	3.411	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C	514300926	UBOHJVHPZKKRBT-UHFFFAOYSA-N	539.580	3.051	0	20	KGAD	
CCCCn1c(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1[C@@H](CC)N(C)C	514374430	BRBFOAGHMPVFPH-GHTZIAJQSA-N	538.740	3.231	0	20	KGAD	
CCCCCN(C(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1c(O)nc(=O)n(CCCC)c1N	514376221	DINLOVKGPVROEC-UHFFFAOYSA-N	513.620	3.217	0	20	KGAD	
CSc1cccc(N2C[C@H](C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC(C)C)CC2=O)c1	514379023	LLGAWGRWLUYCBM-GOSISDBHSA-N	533.672	3.208	0	20	KGAD	
COc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1	2048531849	JAMWCINTSONDBV-UHFFFAOYSA-N	529.597	3.073	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c1	514292139	LEDMLDVZWCKDSQ-OAQYLSRUSA-N	578.757	3.369	0	20	KGAD	
COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)cc1	514292787	MZYGSDBEQSERTO-OALUTQOASA-N	523.677	3.124	0	20	KGAD	
Cc1ccc(NC(=O)CSCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1	514295073	GHSCHYKUVVULMX-UHFFFAOYSA-N	532.507	3.024	0	20	KGAD	
COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514297210	QQFICVTYQVUKPI-LAUBAEHRSA-N	586.132	3.479	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1ccc(F)cc1	514297240	QXVQPIJNVMLAAZ-UHFFFAOYSA-N	538.667	3.003	0	20	KGAD	
O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	514300635	QGLZXKUQCRACHI-MRXNPFEDSA-N	519.571	3.001	0	20	KGAD	
O=C(CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1)Nc1ccccc1Cl	514382479	MSVJBTCBKZNYJV-UHFFFAOYSA-N	539.485	3.177	0	20	KGAD	
Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2N2CCCC2)cc1	514386152	FZOSDEFFWPJYLF-HXUWFJFHSA-N	556.714	3.316	0	20	KGAD	
CS(=O)(=O)c1ccc(F)c(NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)c1	514389823	NSXPBZBOFUFLMD-UHFFFAOYSA-N	524.514	3.167	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC)[C@H]1CCS(=O)(=O)C1	514395931	XJACKKCEUPGRDZ-OALUTQOASA-N	556.776	3.137	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1	514292070	KOKVWXVONAWAIE-OAQYLSRUSA-N	578.757	3.369	0	20	KGAD	
COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)cc2c1OCCO2	514300805	QUVOJPXNSJEHDB-UHFFFAOYSA-N	531.812	3.029	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1c(O)nc(=O)n(CCC)c1N	514379390	TZRGRTXGEZHGHZ-UHFFFAOYSA-N	519.668	3.341	0	20	KGAD	
O=C(Cn1cc(I)c(=O)c(I)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514404057	XDGXWXCTNGQRDW-UHFFFAOYSA-N	652.580	3.474	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3Cc4ccccc4C[C@@H]3C(=O)OC)n2[C@H](C)COC)c1	514303404	MDVRJMSDZFNHHY-CJFMBICVSA-N	615.778	3.402	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CCCOCC)c(O)nc1=O	514386301	JVLDMSSGOOAVRD-UHFFFAOYSA-N	565.096	3.266	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)c(O)nc1=O	514391528	KOVCWJORMDFFJH-UHFFFAOYSA-N	559.714	3.443	0	20	KGAD	
CCCCN(C(=O)CNc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514394494	WLRXNHGFBALAOJ-UHFFFAOYSA-N	557.117	3.116	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nc3cc(OC)c(OC)cc3s2)c(O)nc1=O	514298922	AUEZYGSGURQBIL-UHFFFAOYSA-N	546.650	3.366	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1	514377254	PDAXTWTWYYUUHP-UHFFFAOYSA-N	544.095	3.419	0	20	KGAD	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1S(=O)(=O)NC1CCCC1	514379508	WDADFZJGBNOLCF-UHFFFAOYSA-N	576.524	3.370	0	20	KGAD	
CSC[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	514381058	VQSBWFWKXVSNJM-PCCBWWKXSA-N	559.666	3.104	0	20	KGAD	
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)CCCC1	514390179	AKBRIJOYSDOZNG-NDEPHWFRSA-N	556.711	3.281	0	20	KGAD	
C[C@H]1CCCN(c2nnc(SCC(=O)NCc3ccccc3CN3CCOCC3)n2Cc2ccco2)C1	514393501	CVUDOHDMLGBHBE-NRFANRHFSA-N	524.691	3.396	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)N2CCc3sccc3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395642	PHYVUGBLXLSREJ-MRXNPFEDSA-N	520.702	3.204	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C2CCCC2)c(O)nc1=O	514405643	ZRMORLJGRNCLMI-UHFFFAOYSA-N	503.909	3.141	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(S[C@H](C)C(=O)N3CCC(C(=O)OCC)CC3)s2)CC1	514294026	YPFCVIWPHSKQNC-IYBDPMFKSA-N	572.775	3.103	0	20	KGAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1	514297571	VGMDAAQLLVHMRA-UHFFFAOYSA-N	548.669	3.406	0	20	KGAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)c12	514300754	SVLXEWHYXWSOTI-CQSZACIVSA-N	523.036	3.286	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1	514301363	ZYTDLYCDLGKTCJ-UHFFFAOYSA-N	562.639	3.077	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)CC2)cc1	514385699	RLTOSCNBLRNYCK-FQEVSTJZSA-N	575.738	3.013	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)o2)cc1	514292241	JGUMVMAMOIWGLB-UHFFFAOYSA-N	511.604	3.149	0	20	KGAD	
CCCCn1c(CCC(=O)N(C)Cc2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N(C)C)ccc21	514293395	QFTNWIQRIGAKML-UHFFFAOYSA-N	514.648	3.449	0	20	KGAD	
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	514296947	TWTNMAIGEPVZRQ-UHFFFAOYSA-N	605.657	3.004	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(CC)CC(=O)Nc1ccccc1OC)n2CC(C)C	514297186	SSNVEWVIPLNLAQ-UHFFFAOYSA-N	526.638	3.183	0	20	KGAD	
CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n1CCN1CCOCC1)N(C)C	514303012	IVBXVPOQWTZYDU-PBHICJAKSA-N	516.499	3.444	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c1	514376128	CMVCFTGWQZCDLR-IGKIAQTJSA-N	576.716	3.222	0	20	KGAD	
CCOC(=O)CSc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)s1	514377810	KLQTWCLMPVDIQV-KBPBESRZSA-N	528.678	3.121	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1	514391934	QKGZUFVFCYCPTR-HXUWFJFHSA-N	540.665	3.269	0	20	KGAD	
CCCCCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1c(O)nc(=O)n(CCCC)c1N	514402117	FWFXJBLLHRPQEB-SFHVURJKSA-N	537.658	3.094	0	20	KGAD	
CC(C)CN(C(=O)CSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)[C@H]1CCS(=O)(=O)C1	514402997	OIRHOXIRTDPXEK-KRWDZBQOSA-N	500.086	3.470	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(O)nc1=O	514294772	AXXKFJHWCNAJIM-UHFFFAOYSA-N	569.684	3.361	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1	514296014	FBHXOOBDLRNKSY-OAQYLSRUSA-N	503.621	3.273	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1Cc1ccco1	514303839	OXQNZERKKHWKGN-QGZVFWFLSA-N	548.691	3.288	0	20	KGAD	
CCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514374728	GANSPYLBGUYKRW-UHFFFAOYSA-N	666.830	3.424	0	20	KGAD	
NC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F	514386420	OMEWIJDKLMGMSZ-SFHVURJKSA-N	510.586	3.231	0	20	KGAD	
COc1ccccc1[C@H](CNC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)N1CCCC1	514403521	LXEIUDUXEJKPTN-DEOSSOPVSA-N	501.649	3.252	0	20	KGAD	
COc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCCC1	514295171	HKRKEONDPAUKRB-IBGZPJMESA-N	559.707	3.048	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1	514296094	GCPPHPTYLVOTFQ-UHFFFAOYSA-N	521.583	3.373	0	20	KGAD	
C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1cccc2ccccc12	514298814	GXMIARLXWNPXAE-HXUWFJFHSA-N	509.628	3.188	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1c(O)nc(=O)n(CCC)c1N	514377170	ZREWGRLPZAAATQ-UHFFFAOYSA-N	538.634	3.161	0	20	KGAD	
CCCCN(C)S(=O)(=O)c1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc1	514377936	PPXKCYPNJJPTMA-UHFFFAOYSA-N	549.719	3.298	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)Cc1ccc2c(c1)OCO2	514384863	UYFPHFMGDCRVPM-QGZVFWFLSA-N	515.451	3.236	0	20	KGAD	
Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1S(=O)(=O)N1CCCCC1	514296743	PIEUWAIFIRPJTE-UHFFFAOYSA-N	565.714	3.230	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OCC)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1	514300533	YATYPIBCKKCIEJ-UHFFFAOYSA-N	607.751	3.476	0	20	KGAD	
CCn1c(CCC(=O)N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514303867	QACDAKNLIJXEHH-JGCGQSQUSA-N	616.788	3.441	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)Cc2cc(OCC)c(OCC)cc2Br)c(O)nc1=O	514384199	QJFIKBRFPHDZNR-UHFFFAOYSA-N	511.417	3.487	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2)C[C@@H](C)O1	514392790	CBIDPPFDOGPZQY-IAGOWNOFSA-N	500.539	3.493	0	20	KGAD	
O=C(CN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1)Nc1ccccc1	514394633	QAZYYEPMZUAESA-UHFFFAOYSA-N	539.485	3.177	0	20	KGAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CC1	514296505	MPYDENUWOUDLHC-UHFFFAOYSA-N	602.717	3.057	0	20	KGAD	
CCCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C)c1c(O)nc(=O)n(CCCC)c1N	514375617	SYRHQYKUXWZPBE-UHFFFAOYSA-N	529.667	3.451	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1	514386162	GGXYVTIIIMFEOX-SFHVURJKSA-N	556.131	3.472	0	20	KGAD	
CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC)cc1)N(C)C	514291336	DFMUIYIPRIHPEZ-DVECYGJZSA-N	588.756	3.429	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(O)nc1=O	514293131	SFNHJZQPKWUOPQ-UHFFFAOYSA-N	563.702	3.286	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1	514377531	ZAUAPZJNYYBVOC-FQEVSTJZSA-N	547.674	3.163	0	20	KGAD	
Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C	514390453	KJGOWIILFUHILS-RTWAWAEBSA-N	535.670	3.422	0	20	KGAD	
CCn1c(SCCC(=O)NC(=O)NCc2ccccc2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514392565	YCNCJGYLFBZOMW-UHFFFAOYSA-N	542.687	3.258	0	20	KGAD	
O=C(NCc1ccnc(N2CCCC2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514395967	YEJCLLULHOAZMI-SFHVURJKSA-N	507.454	3.161	0	20	KGAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N3CCN(C(=O)c4ccccc4)CC3)nc(=O)c2c1C	514402512	AVOAGHPIGUYAQA-UHFFFAOYSA-N	528.656	3.078	0	20	KGAD	
COCCN(C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)c1c(O)nc(=O)n(CC(C)C)c1N	514403951	UUTXOKTWPKCDBA-SANMLTNESA-N	613.737	3.200	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)CC2)cc1	514294122	YWKBIFMSRBBISB-UHFFFAOYSA-N	542.079	3.173	0	20	KGAD	
COc1ccc(-n2c(SCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2OC)cc1	514384400	PFFUEWIINJKSIJ-RBBKRZOGSA-N	572.709	3.238	0	20	KGAD	
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2N2CCCC2)cc1	514386151	FZOSDEFFWPJYLF-FQEVSTJZSA-N	556.714	3.316	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCCN(Cc3ccc(Cl)cc3)CC1)n2C	514391799	OQAGVKLEWRVIFB-UHFFFAOYSA-N	518.083	3.144	0	20	KGAD	
CCOc1ccc(NC(=O)[C@H](CCSC)NC(=O)COc2ccccc2)cc1S(=O)(=O)N(CC)CC	514293623	UBYBNFBXRFIVGP-NRFANRHFSA-N	537.704	3.371	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1	514294842	BSPASJNGKUESED-WOJBJXKFSA-N	565.714	3.310	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NCCSCc3ccc(C)cc3)CC2)c(C(=O)OC)c1C	514298926	BICRFBFAQAAMEZ-UHFFFAOYSA-N	568.739	3.388	0	20	KGAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514303413	MMQRQQCRKYACND-NRFANRHFSA-N	561.661	3.015	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	514376849	ITDHGLBYCVYPEH-HZPDHXFCSA-N	527.565	3.393	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@H](c1ccco1)N1CCCCC1)n2C	514377247	OULWOXCUMVYMBD-HSZRJFAPSA-N	515.680	3.473	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	514378911	ZCMZTFFQRFHYGZ-UHFFFAOYSA-N	521.661	3.297	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(F)c(F)cc2Cl)CC1	514380034	HVJHBORGAWQNKD-UHFFFAOYSA-N	529.009	3.033	0	20	KGAD	
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1	514390124	YTYFTHGROUXLDO-INIZCTEOSA-N	547.106	3.234	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)NCCc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514374995	JKNQLKDMIZMIJA-QGZVFWFLSA-N	520.652	3.056	0	20	KGAD	
C[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc3c(c2)OCO3)C1	514376010	ZEERQFPUWCSPTR-HXUWFJFHSA-N	599.735	3.094	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O	514382997	APMNBSKREAWWBY-BFUOFWGJSA-N	545.386	3.140	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CCN(C(=O)c3ccco3)CC1)n2CC	514394434	NHGLZEQPHNXNCP-UHFFFAOYSA-N	529.663	3.033	0	20	KGAD	
CCCCn1c(CCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395998	YYOJQTYUYBZZIY-VWLOTQADSA-N	589.784	3.041	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N1CCC[C@H]1c1ccc(C)cc1	514401793	DUHBEIDUMYOYMY-QHCPKHFHSA-N	547.699	3.060	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC(C)C)cc1S(=O)(=O)N1CCOCC1	514292015	KYKPLCXZGINXRS-UHFFFAOYSA-N	519.649	3.254	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1	514299718	PHEJNCJQQZEJDF-UHFFFAOYSA-N	578.757	3.289	0	20	KGAD	
O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	514299898	JULCNKCFMGNTIP-UHFFFAOYSA-N	522.593	3.339	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c(O)nc1=O	514374783	GYJWKVLOSMDNSP-UHFFFAOYSA-N	578.095	3.262	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)CC2)cc1	514379106	LTCPHRAVVFMABW-UHFFFAOYSA-N	618.561	3.104	0	20	KGAD	
CCCCCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3	514384719	SZTNOEVGMDZULX-ROUUACIJSA-N	553.772	3.424	0	20	KGAD	
COc1cc(OC)cc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c2nccn2C)c1	514390574	PFRGYZZVHDQXLW-DEOSSOPVSA-N	512.632	3.440	0	20	KGAD	
CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	514401902	BFBQSCREEAUKML-ZDUSSCGKSA-N	521.043	3.215	0	20	KGAD	
O=C(CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1)Nc1ccccc1C(F)(F)F	514299287	JVCYBJRJMJKYSM-UHFFFAOYSA-N	578.657	3.378	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)c2)C[C@@H](C)O1	514300329	OWAXNUBTGBTYAX-CALCHBBNSA-N	516.645	3.183	0	20	KGAD	
CCCn1c(CCC(=O)Nc2cc(OC)c(OC)cc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379751	YBSAVMVFNCSRCA-UHFFFAOYSA-N	530.647	3.364	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cc(Br)ccc2N2CCOCC2)c(C(=O)OC)c1C	514382506	NNSPCRUXBDRUSQ-INIZCTEOSA-N	664.622	3.268	0	20	KGAD	
Cc1ccc(C)c(-n2c(SCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)c1	514383349	GYNNRLSNLVQNOR-NHCUHLMSSA-N	541.695	3.289	0	20	KGAD	
CC(C)[C@H](NC(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccc2c(c1)OCCO2	514386083	CKMYCYQPJUJWEW-DEOSSOPVSA-N	509.632	3.481	0	20	KGAD	
Cc1sc2ncnc(N3CCC(C(=O)N4CCN(CC(=O)N5C[C@@H](C)C[C@H](C)C5)CC4)CC3)c2c1C	514392336	VUSOEGHKWAZULV-OALUTQOASA-N	512.724	3.173	0	20	KGAD	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1	514403696	YWVFPLPCGNJXKV-UHFFFAOYSA-N	547.939	3.243	0	20	KGAD	
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1	514376326	IGAJBKJPVYZALQ-NRFANRHFSA-N	576.741	3.123	0	20	KGAD	
COc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514379658	CHFFFPTWSGBTDH-BBRMVZONSA-N	513.538	3.338	0	20	KGAD	
COc1ccc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1S(=O)(=O)N1CCCCCC1	514379728	XRWPVANTHXSXJP-UHFFFAOYSA-N	590.724	3.033	0	20	KGAD	
O=C(CSc1nnc(NCCc2cccs2)s1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514391366	IBVCIFNDDDFWLG-UHFFFAOYSA-N	525.703	3.006	0	20	KGAD	
COc1ccc(Br)cc1CSCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514400987	HYYWMLSPYRLQSN-UHFFFAOYSA-N	515.451	3.351	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	38139366	BFHOXFZZUHLGJQ-UHFFFAOYSA-N	541.674	3.499	0	20	KGAD	
CCc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)n2)cc1	514298625	CUIKYQJXAIKVFK-UHFFFAOYSA-N	542.683	3.482	0	20	KGAD	
COC(=O)c1c(NC(=O)Cn2ncc(Br)c(Br)c2=O)sc2c1CC[C@@H](C)C2	514301980	KCIQCRKZJWOUJS-MRVPVSSYSA-N	519.215	3.380	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1cc(NC(C)=O)ccc1F)c1c(O)nc(=O)n(CCCC)c1N	514303101	UKXAIAKVHLBZQK-UHFFFAOYSA-N	518.590	3.371	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1-c1ccc(Cl)cc1)N(C)C	514386185	GVQHJTXPGDQBKE-QGZVFWFLSA-N	567.112	3.308	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3	514389035	XQQDFFGYKMRGGJ-QWHCGFSZSA-N	506.675	3.369	0	20	KGAD	
CCN1CCc2c(sc3nc(S[C@@H](C)C(=O)N4CCC[C@@H](C(N)=O)C4)n(-c4cccc(OC)c4)c(=O)c23)C1	514395576	NXSWVVFPKVKOND-DLBZAZTESA-N	555.726	3.038	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)n1-c1ccc(F)cc1)N(C)C	514402497	AKJLUYJTPUSMSV-KRWDZBQOSA-N	546.694	3.351	0	20	KGAD	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514404445	IABOFCPLNDCWBY-FGZHOGPDSA-N	530.647	3.360	0	20	KGAD	
CCCCOCCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(CNC(C)=O)cc1)c1ccc(OC)c(OC)c1	514298090	XTULOKYIETTXQJ-DEOSSOPVSA-N	549.690	3.073	0	20	KGAD	
CCC(CC)n1c(COc2ccccc2Cl)nnc1SCCn1cnc2c1c(=O)n(C)c(=O)n2C	514302679	PLNRBFQGTZMDDS-UHFFFAOYSA-N	518.043	3.411	0	20	KGAD	
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@H](CCSC)C2=O)cc1OC	514376161	CXUFLJJYSAHUOS-WBVHZDCISA-N	502.618	3.117	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCN(Cc2ccncc2)CC1	514386824	DKKXGOJBINJYAR-IBGZPJMESA-N	551.056	3.498	0	20	KGAD	
O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	514296208	NBWDHHKJJSLZIF-QHCPKHFHSA-N	534.078	3.465	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2)C[C@@H](C)O1	514392789	CBIDPPFDOGPZQY-CALCHBBNSA-N	500.539	3.493	0	20	KGAD	
CCn1c(SCC(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)nnc1-c1ccco1	514388291	NBUGVCIHSFAOOP-UHFFFAOYSA-N	501.609	3.020	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2CC(C)C)ccc1C	514390814	CQWSYUXIDCFQGD-LJQANCHMSA-N	538.740	3.229	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1	514291599	GLSLFHLVZYEXJF-UHFFFAOYSA-N	578.757	3.365	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c(O)nc1=O	514295864	LQIDLMUFLKTVPL-UHFFFAOYSA-N	546.675	3.185	0	20	KGAD	
CCOC(=O)c1sc2nc(CN(C)C)nc(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)c2c1C	514296772	ODBMFKNVNFBWKM-UHFFFAOYSA-N	539.630	3.027	0	20	KGAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1	514383490	FKCFOQNYAWHBPM-UHFFFAOYSA-N	589.709	3.382	0	20	KGAD	
CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)[C@H]1c1ccccc1OC	514389764	MBHLPUSXWFTOOX-PXDATVDWSA-N	577.725	3.156	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(O)nc1=O	514392985	JRPFRPGBXBZIAQ-UHFFFAOYSA-N	507.657	3.101	0	20	KGAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514404355	DSMGIUOWHNSUTA-FGZHOGPDSA-N	548.637	3.499	0	20	KGAD	
N=c1nc[nH]n2c([C@@]3(O)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cnc12	725327076	YCVPCXZMCKZEQL-QWOIFIOOSA-N	553.619	3.468	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)sc(C(C)=O)c1C	514296911	PVNZONPCZOBKDQ-UHFFFAOYSA-N	578.713	3.108	0	20	KGAD	
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnc(CN3CCCC3=O)o2)nc1C	514374416	BOFARVQORFHOIZ-UHFFFAOYSA-N	515.617	3.459	0	20	KGAD	
CC(=O)N1CCN(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)CC1	514375404	PQIVIZCUNPZDMW-UHFFFAOYSA-N	510.586	3.055	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)CC2)cc1	514378280	DWPSBJJFCOSXAN-UHFFFAOYSA-N	618.561	3.104	0	20	KGAD	
CCn1c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1OC	514384636	RWQHFPMFGXPGPF-INIZCTEOSA-N	506.675	3.343	0	20	KGAD	
CC(=O)NCc1ccc(-c2csc(NC(=O)CCC(=O)N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)n2)s1	514391049	FHKZUBNPVHXOET-UHFFFAOYSA-N	589.765	3.376	0	20	KGAD	
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1	514376327	IGAJBKJPVYZALQ-OAQYLSRUSA-N	576.741	3.123	0	20	KGAD	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)CC2	514387562	OYVSYHGNLQZGDP-AJTFRIOCSA-N	500.661	3.323	0	20	KGAD	
COc1ccccc1N(CCC(N)=O)C(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1	514389845	OTUOWBNCJFOXHP-INIZCTEOSA-N	501.634	3.195	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514393374	YHQLUIPEQPCOHF-QZTJIDSGSA-N	521.661	3.154	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514294725	AGDXGBDXVIIMSC-SVFBPWRDSA-N	537.704	3.105	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(NS(C)(=O)=O)cc1)n2CC	514295720	DBJBMJVVVRTNIZ-UHFFFAOYSA-N	524.690	3.433	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c(C(=O)OC)c1C	514296163	PYOOYGUDTPPQIW-UHFFFAOYSA-N	562.588	3.366	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1ccccc1C(=O)OCC)c1c(O)nc(=O)n(CCCC)c1N	514297710	WQQDXRKVQATJSN-UHFFFAOYSA-N	515.611	3.450	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1	514301005	VFQVDIYACPZPMB-HXUWFJFHSA-N	550.747	3.449	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C	514385169	AWKNPVNENQWBQA-UHFFFAOYSA-N	523.677	3.379	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1	514386946	AFKXQTFMNZEJEZ-UHFFFAOYSA-N	533.595	3.100	0	20	KGAD	
COCCCN(C(=O)c1cccc(OCc2csc(C)n2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514389593	KQHWXXRVXWURCE-UHFFFAOYSA-N	501.609	3.214	0	20	KGAD	
CCn1c(CCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514390984	XIFFYQIDROXTHN-UHFFFAOYSA-N	524.112	3.298	0	20	KGAD	
CSc1nc(C)c(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)c(O)n1	514393854	NGRLSXNIBNPAFO-UHFFFAOYSA-N	549.900	3.094	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c(O)nc1=O	514294859	CLQMIEUUBJEFTC-UHFFFAOYSA-N	508.623	3.460	0	20	KGAD	
CCC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1	514295191	HTHBDEVIIRYKJF-UHFFFAOYSA-N	501.424	3.015	0	20	KGAD	
CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)CC1	514303139	UYZVCPYVWLIGMA-UHFFFAOYSA-N	512.657	3.169	0	20	KGAD	
CCCCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCCOC)c1c(O)nc(=O)n(CCCC)c1N	514374376	ATVQHWLVFJHMPI-UHFFFAOYSA-N	558.705	3.393	0	20	KGAD	
Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1C	514379564	DPJOBZPTMFRJMX-UHFFFAOYSA-N	501.527	3.316	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N3CCOCC3)c1)n2CC(C)C	514380237	KCRYBLBXWJGMCJ-UHFFFAOYSA-N	595.122	3.000	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1)N1CCCCC1	514386630	WDULNLNPXACZNB-QFIPXVFZSA-N	584.768	3.244	0	20	KGAD	
Cc1c(Cl)cccc1-n1c(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccncc1	514387701	IVCNYKIREUFHIF-RDJZCZTQSA-N	506.053	3.417	0	20	KGAD	
CC(C)CNc1nnc(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)s1	514387993	LCXHZCOMTPUKNI-UHFFFAOYSA-N	516.615	3.500	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)c1	514291009	AXCXEBXPCHDZDS-FQEVSTJZSA-N	519.645	3.082	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCCc2nc(O)c3ccccc3n2)c1	514293212	SNDKOXHDBWQJEC-UHFFFAOYSA-N	527.647	3.164	0	20	KGAD	
CCCCCn1c(CCC(=O)Nc2ccc(S(=O)(=O)N[C@H](C)COC)cc2)nc2c1c(O)nc(=O)n2CCCC	514294267	YOQMOUHASPKAIP-LJQANCHMSA-N	576.720	3.173	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514294728	AGDXGBDXVIIMSC-ZVDOUQERSA-N	537.704	3.105	0	20	KGAD	
COCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)nc2ccccc21	514376030	ZRNIYQWFKYDHOD-UHFFFAOYSA-N	559.714	3.035	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1	514376851	ITSNDDBZXITVHU-UHFFFAOYSA-N	509.650	3.151	0	20	KGAD	
COc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1S(=O)(=O)N1CCCC1	514377353	RWQMBNOSSVMMGA-UHFFFAOYSA-N	524.437	3.261	0	20	KGAD	
O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3cccc(Cl)c3c1)CC2	1826671536	VBISKUMOKKNHOZ-LBPRGKRZSA-N	500.009	3.481	0	20	KGAD	
COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1	514294230	YEDHZBWHCDECOU-UHFFFAOYSA-N	531.660	3.498	0	20	KGAD	
CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1	514300358	LZUZVLQLAYCSQD-FQEVSTJZSA-N	508.662	3.247	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)CC2)c(C(=O)OC)c1C	514300834	RYTCRWPPWUKZHF-FQEVSTJZSA-N	594.708	3.411	0	20	KGAD	
CCN(C(=O)CN(Cc1ccco1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCS(=O)(=O)C1	514376255	FERMBJSZZDRAES-OAHLLOKOSA-N	542.985	3.178	0	20	KGAD	
COc1ccccc1-n1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C	514385667	PXDWSJOPQOMFFH-UHFFFAOYSA-N	546.675	3.364	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)sc2c1CC[C@@H](C)C2	514394225	JVINDVDYMVFUJU-OWCLPIDISA-N	549.719	3.357	0	20	KGAD	
COc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514403360	YRQPFHURMLZYEN-OALUTQOASA-N	517.623	3.099	0	20	KGAD	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	514298583	BFCYGGIDCUEZQI-UHFFFAOYSA-N	518.032	3.077	0	20	KGAD	
CCOc1ccc(C(=O)NCC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)cc1OCC	514298758	DXUBGOKXEVKNQJ-UHFFFAOYSA-N	533.647	3.426	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	514300569	YZEBSDDKKNEIIU-UHFFFAOYSA-N	534.476	3.402	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1ccccc1I	514300707	QWWIEOPMWIGPPA-UHFFFAOYSA-N	572.469	3.209	0	20	KGAD	
CC(C)CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514388895	UWNLMMCNLGIREA-OAQYLSRUSA-N	571.675	3.199	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(O)c4cc(Cl)ccc4n3)CC2)cc1OCC	514391911	SIWNTDXJHMEAMF-UHFFFAOYSA-N	507.012	3.293	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514293169	QUZKBLOBZSDEAK-LJQANCHMSA-N	536.050	3.251	0	20	KGAD	
Cc1sc2nc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)n(C(C)C)c(=O)c2c1C	514293785	YASJPSOCPGTNLQ-UHFFFAOYSA-N	536.701	3.407	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1	514295142	HENLEPFISGLFIV-SFHVURJKSA-N	525.668	3.134	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514298943	BDNHBWSPPVTLMK-AUUYWEPGSA-N	509.650	3.069	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1	514301355	ZRIGGFCOQHQGGH-UHFFFAOYSA-N	522.674	3.193	0	20	KGAD	
CNC(=O)NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CCc1ccc(OC)c(OC)c1)CCC3	514376299	GVGUEHCSJGUQKK-ZDUSSCGKSA-N	516.645	3.143	0	20	KGAD	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)CC2)cc1	514376390	KIGCOFUSCOOZMJ-UHFFFAOYSA-N	604.795	3.471	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)ccc1OC	514377117	XOTPKRNREHOICK-UHFFFAOYSA-N	523.677	3.461	0	20	KGAD	
COc1ccccc1[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)N1CCCC1	514377643	CYLPDFWXRVPAJI-JXALWOEJSA-N	501.649	3.060	0	20	KGAD	
CCCOc1ccc(NC(=O)NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1OCCC	514383471	FBUQTKWQUDFDDQ-UHFFFAOYSA-N	552.675	3.121	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCC(n3c(O)nc4ccccc43)CC2)c1	514387268	FJKBPEDCLSEMIL-UHFFFAOYSA-N	506.028	3.311	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnnn1Cc1cccs1	514388722	XESNGCZZERRELL-UHFFFAOYSA-N	522.678	3.087	0	20	KGAD	
Cn1c(CCC(=O)NCCCCOc2ccc(Cl)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514389888	QJCMIVUKFHNKHT-UHFFFAOYSA-N	535.066	3.156	0	20	KGAD	
Cc1cccc(-n2c(SCC(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)nnc2N2CCOCC2)c1	514390771	UWSFBZZDNXTAGG-UHFFFAOYSA-N	582.752	3.268	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1	514391255	FJLOAJUCMBCQSI-UHFFFAOYSA-N	539.742	3.463	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N2CCc3sccc3[C@H]2CC)n1CCN1CCOCC1)N(C)C	514391421	ITFPTHZTBQKWEH-UXHICEINSA-N	506.742	3.313	0	20	KGAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C	514295027	FSULHOMJFCTFFK-UHFFFAOYSA-N	570.590	3.210	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514295814	KWMWKSQUUFWFGI-UHFFFAOYSA-N	647.458	3.268	0	20	KGAD	
COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)C(C)C)CC3)c2)cc1Cl	514297645	YPRZOKHDGYQUSV-UHFFFAOYSA-N	524.039	3.123	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c(C(=O)OC)c1C	514297874	VXBRZVDNYXBTRD-YADHBBJMSA-N	641.834	3.382	0	20	KGAD	
O=C(CSc1nnc(NCCc2cccs2)s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	514302747	RWWJVGVALYGSME-UHFFFAOYSA-N	527.694	3.019	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)c1c(O)nc(=O)n(CCCC)c1N	514378447	FRJWGHDODUZMAN-OYRHEFFESA-N	620.773	3.071	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)cc1	514381705	OQCIFJGYFLJQFI-OAQYLSRUSA-N	580.773	3.075	0	20	KGAD	
Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c(F)c1	514383283	FZQWCWPAMMLRJL-UHFFFAOYSA-N	505.490	3.147	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)N2CCOCC2)cc1OC	514395598	OGFMQBYSHJGGCS-NZQKXSOJSA-N	596.544	3.057	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(O)nc1=O	514293454	QYJWDRPPSODKPE-HXUWFJFHSA-N	590.747	3.160	0	20	KGAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O	514381397	DBVVYBZUEGMHQS-MHZLTWQESA-N	556.641	3.321	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)Cc1ccc(C(=O)NC)cc1)n2CC	514388890	UVGNPQXAOHAHEM-UHFFFAOYSA-N	513.664	3.038	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2nc3c(OC)cccc3s2)c(C(=O)OC)c1C	514392181	VINGJLSPZBHODM-GFCCVEGCSA-N	587.723	3.287	0	20	KGAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2ccco2)c1C	514394165	RQHHEOAGUUSZGI-HOTGVXAUSA-N	532.692	3.397	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(NC(=O)CCNC(=O)c2ccco2)c1	514376508	BNZMHEGKKSXQFW-UHFFFAOYSA-N	583.711	3.404	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c(O)nc1=O	514379853	VQNAHPOXTJPRQV-SFHVURJKSA-N	519.668	3.197	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CSc1nc3ccccc3c(=O)n1CCCCCC(=O)OC)n2C	514386550	RZZKQYACRFFXQF-UHFFFAOYSA-N	540.646	3.371	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	514303807	ZROIUVNNEZAYEO-UHFFFAOYSA-N	671.380	3.424	0	20	KGAD	
COc1ccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1S(=O)(=O)N1CCCC1	514382880	XJGPJSBYRHVPFV-UHFFFAOYSA-N	528.494	3.262	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1	514385181	BJRSJSAGYZCGDU-UHFFFAOYSA-N	592.784	3.300	0	20	KGAD	
COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514392730	AAJBUWSFISLYAN-AUSIDOKSSA-N	549.715	3.135	0	20	KGAD	
CC[C@@H](C)NC(=O)CSc1nnc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1-c1ccccc1	514292443	KYCCAEGVYGZKSK-LJQANCHMSA-N	529.688	3.270	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)c(O)nc1=O	514296479	QMDJFLMAPBODLC-UHFFFAOYSA-N	587.699	3.272	0	20	KGAD	
CN(c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1)S(=O)(=O)c1cccs1	514377116	XONDISDWPAMKHU-UHFFFAOYSA-N	620.775	3.212	0	20	KGAD	
COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)N1CCCC1	514377646	CYLPDFWXRVPAJI-SKPFHBQLSA-N	501.649	3.060	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)cc1S(=O)(=O)N(C)C	514386050	ZYJDWDLEWXWITO-FXAWDEMLSA-N	553.703	3.454	0	20	KGAD	
O=C(CSc1nnnn1C1CCCC1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1	514401800	FBEZCBKUZYNSCF-UHFFFAOYSA-N	530.632	3.481	0	20	KGAD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2)c1sc2ccccc2c1Cl	1796944047	NIXRRNKJQZUWKO-IVWMJMPLSA-N	500.005	3.471	0	20	KGAD	
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1S(=O)(=O)N(CC)CC	514291237	CABWTYYURFAKLJ-UHFFFAOYSA-N	552.719	3.219	0	20	KGAD	
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1	514293622	WKPXXXHLANKTBG-WMZHIEFXSA-N	602.739	3.104	0	20	KGAD	
CCOCCCn1c(SCC(=O)Nc2nc(CC(=O)OC)cs2)nc2ccc(Br)cc2c1=O	514297855	SWMUYWILRFMUHJ-UHFFFAOYSA-N	555.476	3.488	0	20	KGAD	
Cc1ccc(C(=O)N(CCC2=CCCCC2)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1S(=O)(=O)N1CCOCC1	514379719	XIOROOILAITGCA-UHFFFAOYSA-N	607.733	3.446	0	20	KGAD	
Cc1cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c(C)n1C[C@@H]1COc2ccccc2O1	514388273	MWRBSOKTUKMDIG-ZWKOTPCHSA-N	517.629	3.280	0	20	KGAD	
COc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)CC3)n2)cc1	514393641	IBUNDILNUIKGEV-UHFFFAOYSA-N	539.658	3.124	0	20	KGAD	
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	514394160	RMQOAIWTOHSAGV-JOCHJYFZSA-N	524.108	3.469	0	20	KGAD	
NC(=O)CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nnc1-c1cccs1	514394461	NZNVLYZTTOCLPJ-UHFFFAOYSA-N	540.593	3.468	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1CCN1CCOCC1)N(C)C	514291482	FPEKCVHRJKYWAA-FQEVSTJZSA-N	515.709	3.477	0	20	KGAD	
CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)n1CCN1CCOCC1)N(C)C	514292913	NUNWERFKRFZAHO-CVDCTZTESA-N	616.254	3.426	0	20	KGAD	
CCN(C(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1	514375201	MABJWXRXKASCDO-IBGZPJMESA-N	549.715	3.432	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N2CCC(C(=O)N3CCCCC3)CC2)c1	514380771	PTGVUOQUIFAHMN-GOSISDBHSA-N	513.104	3.422	0	20	KGAD	
O=C(CCc1cnn(-c2ccccc2)c1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514388506	VNOBQNPTKDONHG-UHFFFAOYSA-N	523.659	3.455	0	20	KGAD	
Cc1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)n(C)c(=O)c2c1C	514403113	INBAOTFQUPQFGW-ZIAGYGMSSA-N	536.701	3.141	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514297948	XYARXVQZICPRPR-OYRHEFFESA-N	609.767	3.422	0	20	KGAD	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1S(=O)(=O)N1CCOCC1	514378817	XZHYXJWGXTUQOD-UHFFFAOYSA-N	579.741	3.053	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1	514381383	CSQHPBGVIMKWNN-IBGZPJMESA-N	567.730	3.012	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1cc(C(C)(C)C)ccc1O	514390395	IPWHPACYJPGZAV-UHFFFAOYSA-N	551.687	3.030	0	20	KGAD	
Cc1ccc([C@H]2O[C@@H]([C@@H](C)S(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1	2048529062	DNLIVGUFTGXHQD-CFPQPKMASA-N	522.616	3.252	0	20	KGAD	
O=C1c2ccccc2C(=O)N1C[C@H](CN(C[C@H](CN1C(=O)c2ccccc2C1=O)c1nccn1C(=O)O)c1ccc(N2CCOCC2=O)cc1)c1nccn1C(=O)O	2048532080	AJZDVVNBRXITHJ-PLQXJYEYSA-N	786.758	3.461	0	20	KGAD	
COc1ccc(-n2c(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)cc1	514291247	DDZDOQFLJJLVGW-IBGZPJMESA-N	515.657	3.158	0	20	KGAD	
CC[C@H](C)n1c(SCC(=O)N(CC)CC(=O)NC(C)C)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514293548	SREDOFNZGJCYMG-IBGZPJMESA-N	552.767	3.412	0	20	KGAD	
O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514300589	ZEYKOGZFCNBAJJ-UHFFFAOYSA-N	500.404	3.103	0	20	KGAD	
Cc1sc2nc(CS[C@H](C)C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)nc(O)c2c1C	514380458	NMBQELBDIVEJES-GOSISDBHSA-N	607.780	3.132	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1	514384689	UDFFPRKEKBTPSE-UHFFFAOYSA-N	507.678	3.130	0	20	KGAD	
Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3SCC(=O)NCC3CCCCC3)CC2)no1	514394760	RQRGRRMWEGUEJW-UHFFFAOYSA-N	513.664	3.168	0	20	KGAD	
Cc1cc(C)c2c(NC(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c(C(=O)N3CCOCC3)sc2n1	514402483	KBKHRXRKMOCIIZ-UHFFFAOYSA-N	561.686	3.030	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)n1CCN1CCOCC1)N(C)C	514290987	BSNUREDVQGYCIN-DEOSSOPVSA-N	607.847	3.227	0	20	KGAD	
CCC(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1	514296256	NNBPXWBJFSMMCJ-UHFFFAOYSA-N	530.521	3.259	0	20	KGAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc(Br)s4)CC3)CC2)c1	514381508	HLDWWZGCNNMSBI-UHFFFAOYSA-N	554.532	3.458	0	20	KGAD	
CCn1c(CCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514383776	KBFZHBPFWSUTPG-UHFFFAOYSA-N	594.660	3.041	0	20	KGAD	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1C	514388053	OGTZTDDJSPUFKW-UHFFFAOYSA-N	565.733	3.383	0	20	KGAD	
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	514389386	FLKUZWMBWGIOGW-UHFFFAOYSA-N	518.496	3.299	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl	514394510	XFVSYMSJENFNLZ-UHFFFAOYSA-N	529.084	3.206	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)ccc1C	514403527	LZRGZDWCUFDPFI-NRFANRHFSA-N	514.692	3.381	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)Cc2csc(-c3cccc(Br)c3)n2)c(O)nc1=O	514298901	ALLWFIWLFKPDDO-UHFFFAOYSA-N	536.452	3.439	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1	514374403	BMPWGMBUVNYYMC-LJQANCHMSA-N	612.734	3.366	0	20	KGAD	
CCN(C(=O)CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	514375099	KRMCHKMRQZBUFN-INIZCTEOSA-N	539.477	3.477	0	20	KGAD	
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc1)C2=O	514380780	QHLZSVVXTHQKSW-MRDQGFSESA-N	542.614	3.088	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1S(=O)(=O)N1CCCC1	514381153	ZLSQQAKBEHUSKX-UHFFFAOYSA-N	519.439	3.442	0	20	KGAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1	514394329	UEGYRWYKMRBPDT-MHZLTWQESA-N	584.764	3.447	0	20	KGAD	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514379184	ORHCZHAJHRHPML-UHFFFAOYSA-N	576.741	3.125	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)N(CCOC)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514386365	MFYKRPROZAGJJD-NRFANRHFSA-N	560.698	3.096	0	20	KGAD	
CCn1c(CSc2nnc(-c3sc(C)nc3C)o2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395873	WEVQQTIRERZRGS-UHFFFAOYSA-N	520.662	3.493	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nn4c(=O)cc(C)nc4s3)n2[C@H](C)COC)c1	514404497	FXPVYYOJGWEYAA-MRXNPFEDSA-N	563.731	3.248	0	20	KGAD	
COc1ccc([C@H](CNC(=O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)N2CCCCC2)cc1	514404674	IDLGQCPNGNMLTA-MHZLTWQESA-N	521.706	3.212	0	20	KGAD	
CC(C)CN(C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C)[C@@H]1CCS(=O)(=O)C1	514292494	MPQVLMZANSEJMS-QGZVFWFLSA-N	505.687	3.426	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514293497	SDFYDDHNXDEELX-UHFFFAOYSA-N	531.660	3.498	0	20	KGAD	
CSCC[C@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	514402331	OHLVKPGNZSTLFH-MOXQZVSFSA-N	508.084	3.126	0	20	KGAD	
N[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3snnc3c1)CC2)c1cccc(Cl)c1	1815047386	FUHVPRKGMQFFOH-GUYCJALGSA-N	500.009	3.122	0	20	KGAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O	514303847	PERKUYVWCNEJFF-UHFFFAOYSA-N	527.622	3.228	0	20	KGAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCCN(C)C)CCCC3)[C@@H]1CCS(=O)(=O)C1	514374764	HCDDQTAHDDBLHS-GOSISDBHSA-N	554.804	3.196	0	20	KGAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)n1	514375032	KFSUGYAJOMYASN-UHFFFAOYSA-N	514.633	3.383	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	514377464	WLJMCZTZBXFYOF-KDURUIRLSA-N	553.703	3.166	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1	514380474	LQSFSKIOERBYJI-UHFFFAOYSA-N	506.021	3.147	0	20	KGAD	
COC(=O)CCn1c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccccc2c1=O	514383189	HVNKVZZJVYPUMO-FQEVSTJZSA-N	509.584	3.187	0	20	KGAD	
O=C(NCCCOC[C@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514389100	ZDAJRFZPWMACML-MRXNPFEDSA-N	512.978	3.461	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@@H]3CCCO3)CC2)cc1OC	514298613	CLZQJFXAGXTBBQ-QHCPKHFHSA-N	573.712	3.368	0	20	KGAD	
CCCCn1c(CCC(=O)NCCc2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N(C)C)ccc21	514300045	LNIXYZIMQADFJS-UHFFFAOYSA-N	500.621	3.107	0	20	KGAD	
O=C(CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)NCCCSc1ccccc1	514388154	VQIAGIIJFDNISZ-UHFFFAOYSA-N	510.582	3.440	0	20	KGAD	
COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	514401814	FMQJOVDOMUYMBJ-UHFFFAOYSA-N	506.646	3.153	0	20	KGAD	
Cc1occc1-c1nnc(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1	514300649	QKGMAIVLWOYLLV-WOJBJXKFSA-N	516.645	3.123	0	20	KGAD	
Cc1ccc(-c2noc(CN3CCN(CC(=O)NCc4c(C)nn(Cc5ccccc5)c4C)CC3)n2)cc1	514393836	MNEVDNZAFYBXFW-UHFFFAOYSA-N	513.646	3.341	0	20	KGAD	
O=C(CSc1ncccn1)N[C@H]1CCc2nc(NC(=O)c3cn4ccc(Cl)cc4n3)sc2C1	1818587416	JFHZYKLJWBTXAJ-ZDUSSCGKSA-N	500.009	3.252	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccc(Br)c(C)c2)n1CCN1CCOCC1)N(C)C	514293315	QATHHPZYBAQFRF-LJQANCHMSA-N	525.517	3.425	0	20	KGAD	
COc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)CC1	514293975	UQPVLZDMMRUTIB-UHFFFAOYSA-N	512.676	3.432	0	20	KGAD	
COCCCN(C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514300467	VKXXCSIPHUBHEU-UHFFFAOYSA-N	531.617	3.466	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	514376216	DHBRSBFGDGGHBV-JOCHJYFZSA-N	590.768	3.432	0	20	KGAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N(c1ccccc1)C1CCCCC1	514382884	XJRYKVJNBUMLNX-UHFFFAOYSA-N	542.702	3.322	0	20	KGAD	
Cc1cccc(-n2c(SCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)nc3sc4c(c3c2=O)CCCC4)c1	514385884	YBFUVZPLUKCASR-FQEVSTJZSA-N	572.778	3.058	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c(O)nc1=O	514388962	WOBIKOPWAMCKNA-SFHVURJKSA-N	521.618	3.398	0	20	KGAD	
CCn1c(SCC(=O)N(CCCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc2sc3c(c2c1=O)CCCC3	514291636	HUMLEXQIYCFNGE-UHFFFAOYSA-N	610.762	3.411	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514296650	SZFCBFXGXZPQLT-KDURUIRLSA-N	533.695	3.301	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)c1	514296981	QGWLAVPDGJPQIX-UHFFFAOYSA-N	540.708	3.121	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)cc1OC	514298644	DNYWMMUVIMVZCU-NRFANRHFSA-N	516.616	3.239	0	20	KGAD	
Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2C)c1	514374465	CTHSKSUPZFJGSN-SFHVURJKSA-N	515.661	3.239	0	20	KGAD	
Cc1c(-c2ccccc2)sc(NC(=O)CN2CCN(c3nccs3)CC2)c1C(=O)N1CCOCC1	514392810	CWYCTFWAAQCJIS-UHFFFAOYSA-N	511.673	3.413	0	20	KGAD	
COC(=O)CCNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1	514394895	VWLAYVRMHHXFLC-UHFFFAOYSA-N	529.659	3.253	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1	514401227	PXSHQHJYCPWDIM-UYAOXDASSA-N	525.668	3.134	0	20	KGAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1C(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514376747	QPWAIFVYWGZAMW-UHFFFAOYSA-N	514.652	3.403	0	20	KGAD	
COCCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1	514386146	FYBNUZAPDMGJBF-JOCHJYFZSA-N	514.673	3.305	0	20	KGAD	
Cc1cccc(-n2c(SCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)nnc2N2CCOCC2)c1	514391041	FBBSSIREEDACGO-UHFFFAOYSA-N	520.659	3.382	0	20	KGAD	
CCN(C(=O)CSc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514393802	KXKJHAQVORTTQP-IBGZPJMESA-N	578.699	3.194	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1	514293204	SHDXFNAEYDRBRO-UHFFFAOYSA-N	515.632	3.176	0	20	KGAD	
CCn1c(CSc2nc3sc4c(c3c(=O)n2C)CCC4)nc2cc(S(=O)(=O)N(C)C)ccc21	514375640	SVZKXAPHYUFLST-UHFFFAOYSA-N	503.675	3.396	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c1	514376130	CMVCFTGWQZCDLR-SHQCIBLASA-N	576.716	3.222	0	20	KGAD	
CCCn1c(CCC(=O)N(C)Cc2ccc(OC)cc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376832	HWFGZHBEQVXYFF-UHFFFAOYSA-N	544.674	3.076	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514391626	NPKTWGJPWSRQQY-UHFFFAOYSA-N	533.595	3.447	0	20	KGAD	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCN(CC(=O)N5CCCC[C@H]5C)CC4)cc3C2=O)c1	514402643	QHVKGWLNBALDLE-OAQYLSRUSA-N	502.615	3.263	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2)cc1	514295295	BVTSIRJUIHKHCC-UHFFFAOYSA-N	550.685	3.232	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1c(O)nc(=O)n(CCCC)c1N	514297310	UPDHXIKLOVLGST-UHFFFAOYSA-N	645.610	3.475	0	20	KGAD	
O=C(NC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1)c1ccccc1	514302452	FHADJLOTDIGYLI-LJQANCHMSA-N	534.476	3.271	0	20	KGAD	
COCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1-c1ccncc1	514374733	GUASPRMHRLODSR-GOSISDBHSA-N	530.676	3.280	0	20	KGAD	
COc1ccc(C(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1S(=O)(=O)NC1CCCC1	514382073	FHFDNQZZTLWMOM-SFHVURJKSA-N	503.650	3.183	0	20	KGAD	
COC(=O)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1ccc(OC)c(OC)c1	514389946	SIZPEOKLYIDEKA-OPYAIIAOSA-N	548.658	3.413	0	20	KGAD	
CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	15089746	WCAGIRJDRUZURJ-INIZCTEOSA-N	506.625	3.186	0	20	KGAD	
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514297127	SHPZWQAFUZKQHT-UHFFFAOYSA-N	576.741	3.125	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1ccc(C(=O)OCC)cc1)c1c(O)nc(=O)n(CCCC)c1N	514297562	USNADISHLNEFHB-UHFFFAOYSA-N	515.611	3.450	0	20	KGAD	
O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514379608	BASMMWKUWXVNIX-UHFFFAOYSA-N	513.660	3.029	0	20	KGAD	
C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl)C(=O)NC[C@H]1CCCO1	514294322	WIRACXYAXDNZDO-AZUAARDMSA-N	592.143	3.384	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4cc(OC)c(OC)cc4s3)CC2)cc1OC	514300702	QSNSCQSSCRTVER-UHFFFAOYSA-N	521.617	3.370	0	20	KGAD	
CCOc1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	514402453	JGSQNQLGIZGQTK-QGZVFWFLSA-N	510.634	3.281	0	20	KGAD	
Cc1sc2nc(CS[C@@H](C)C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)nc(O)c2c1C	514303554	WXOQKKACQLVJCO-SFHVURJKSA-N	513.689	3.096	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c(O)nc1=O	514379141	MVZFYWHHESJXLE-UHFFFAOYSA-N	611.721	3.127	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	514383474	FCBHMDCZVQUTAU-UHFFFAOYSA-N	561.648	3.453	0	20	KGAD	
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514386798	CLYZAWSJYONHDU-DEOSSOPVSA-N	520.552	3.008	0	20	KGAD	
CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)sc2c1CCS(=O)(=O)C2	514393350	XRSINAZAMQYZHF-HOTGVXAUSA-N	554.712	3.315	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Sc2nccn2-c2ccc(C)cc2C)c(O)nc1=O	514404188	BLGPAPLIXQYINT-SFHVURJKSA-N	514.652	3.294	0	20	KGAD	
CSC[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514297411	UCGRGFXMCOUVFA-BHIFYINESA-N	573.693	3.494	0	20	KGAD	
CCn1c(CCC(=O)NCC2(N3CCCCC3)CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376562	NXLTVBOTSPMRNP-UHFFFAOYSA-N	545.750	3.315	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(CCNC(C)=O)s3)nnc12	514390100	XZBBWRCVPDPHTM-UHFFFAOYSA-N	513.645	3.186	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1	514404318	BQJLIHOAKINFNU-UHFFFAOYSA-N	537.582	3.253	0	20	KGAD	
CS(=O)(=O)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1	514297054	WGSBPQHREZPQGK-UHFFFAOYSA-N	524.970	3.050	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1	514299652	IVLDCZWVSRLDIL-UHFFFAOYSA-N	608.783	3.235	0	20	KGAD	
COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)c1C	514383909	NOEIMQMREZBAFZ-UHFFFAOYSA-N	501.628	3.456	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(C)Cc3nc4ccccc4s3)CC2=O)cc1	514384535	VJCUEJDQBMCMGP-QGZVFWFLSA-N	500.646	3.338	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1	514385981	YOCGFMKADSSRSA-UHFFFAOYSA-N	507.996	3.139	0	20	KGAD	
COC(=O)c1cc(NC(=O)CSc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)cc(C(=O)OC)c1	514393405	ZSRQUXOCYKJDDW-INIZCTEOSA-N	527.603	3.460	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	514292495	MZTCSQDBVYHDOT-NRFANRHFSA-N	505.710	3.017	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1	514299199	COZIGZHFFAVSMY-UHFFFAOYSA-N	538.717	3.080	0	20	KGAD	
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514302029	KXTFMYMVAZLLJA-FQEVSTJZSA-N	530.499	3.378	0	20	KGAD	
COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2CCCN(C)C)CCCC4)cc1S(=O)(=O)N1CCOCC1	514374799	HMTMUENVXPTQMD-UHFFFAOYSA-N	635.834	3.049	0	20	KGAD	
Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1S(=O)(=O)N1CCCCC1	514377036	XFUQDVPCXUNLRT-UHFFFAOYSA-N	576.741	3.043	0	20	KGAD	
COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1	514380242	KGJVFENGRAWXHC-UHFFFAOYSA-N	586.740	3.326	0	20	KGAD	
COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1OC	514387057	AOQSYLGIDYJAKR-GOSISDBHSA-N	529.638	3.231	0	20	KGAD	
CCCCCn1c(CCC(=O)N2CCN(c3cccc(O)c3)CC2)nc2c1c(O)nc(=O)n2CCCC	514389241	DLTMVPKPHNLYCZ-UHFFFAOYSA-N	510.639	3.276	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1nnc(SCC)s1)c1c(O)nc(=O)n(CCCC)c1N	514303450	NLXSAWFMWDQMTP-UHFFFAOYSA-N	511.674	3.237	0	20	KGAD	
Cn1ccnc1[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccccc1	514395646	PIXRZDQZTIXHCP-SANMLTNESA-N	520.659	3.320	0	20	KGAD	
O=C(COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)NC[C@H]1CCCO1	514402600	POYYBHSPEKVDHQ-HSZRJFAPSA-N	569.705	3.099	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nnc(C(CC)CC)s2)c(O)nc1=O	514403146	JIFBZEGTSWBBSF-UHFFFAOYSA-N	507.661	3.494	0	20	KGAD	
COc1cccc(-n2c(SCC(=O)NC3CCN(C(C)=O)CC3)nc3sc4c(c3c2=O)CCC4)c1	514403512	LGWLVFPSQFWRIR-UHFFFAOYSA-N	512.657	3.164	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1	514296817	QLGLNXCGZWBRKS-SIKLNZKXSA-N	531.675	3.003	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCCCC1	514299667	MUSHYSNMLGOJDX-UHFFFAOYSA-N	551.687	3.305	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1S(=O)(=O)N(CC)CC	514391706	NCROAMRDIQLZNN-MRXNPFEDSA-N	509.650	3.214	0	20	KGAD	
COCCn1c(SCC(=O)Nc2ccc(S(C)(=O)=O)cc2)nc2sc3c(c2c1=O)CCCC3	514392094	TZJITXIEBVZOTQ-UHFFFAOYSA-N	507.659	3.118	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)c1	514393328	WZKHVDJVXDQQJU-HSZRJFAPSA-N	516.664	3.068	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)CC2)cc1	514394107	PNXFIFABVWBNIT-UHFFFAOYSA-N	505.587	3.095	0	20	KGAD	
Cc1ccc(-n2c(S[C@@H](C)C(=O)NCCc3ccc4c(c3)OCCO4)nnc2N2CCOCC2)cc1	514395530	MRLQHTVBUFFFEO-IBGZPJMESA-N	509.632	3.023	0	20	KGAD	
O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	105472948	UMILBYLVOCKNKP-UHFFFAOYSA-N	555.653	3.187	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1	514299289	JXKZCPQPLHHSRT-QFIPXVFZSA-N	521.661	3.148	0	20	KGAD	
COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)ccc1OC(F)F	514404492	FVCUULJUCBVVEY-KRWDZBQOSA-N	541.573	3.161	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CC1	514292707	PELZARKNOLDPSV-UHFFFAOYSA-N	537.642	3.498	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1-c1ccccc1)N1CCCCC1	514295596	COHYVAURRQQAPZ-JOCHJYFZSA-N	554.742	3.439	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3Cc4ccccc4C[C@H]3C(=O)OC)n2[C@@H](C)COC)c1	514303405	MDVRJMSDZFNHHY-CPJSRVTESA-N	615.778	3.402	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1	514376728	QEFHWFQVIFLFNU-UHFFFAOYSA-N	535.688	3.218	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1S(=O)(=O)N(C)C	514378714	VPGLAPHALMEGBG-MSQSPTIYSA-N	535.688	3.301	0	20	KGAD	
CCCCn1c(CCC(=O)NCCc2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N(C)C)ccc21	514379007	KXJFRFLXVKHLMJ-UHFFFAOYSA-N	514.648	3.149	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1CCCOC)[C@@H]1CCS(=O)(=O)C1	514387380	FJBRINLYHMQLDI-HZPDHXFCSA-N	501.074	3.151	0	20	KGAD	
Cc1cccc(NC(=O)CN2CCN(CC(=O)N(C)CCOc3ccc(Br)cc3)CC2)c1C	514387525	OKGQEOJHXGMQNZ-UHFFFAOYSA-N	517.468	3.159	0	20	KGAD	
COCCN(C(=O)CCC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1c(O)nc(=O)n(CC(C)C)c1N	514392986	JRZMHFUNOZFGTK-HSZRJFAPSA-N	574.682	3.376	0	20	KGAD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	514298621	CRFRELYCDUOAKZ-UHFFFAOYSA-N	526.659	3.022	0	20	KGAD	
COc1cc(OC)cc(-c2nnc(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)o2)c1	514375168	LMVOSOJKAURWQR-UHFFFAOYSA-N	532.623	3.036	0	20	KGAD	
CCOc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)ccc1OCC(=O)N1CCCCC1	514376373	JKMOHFCMFGVFGH-UHFFFAOYSA-N	503.621	3.288	0	20	KGAD	
CC[C@H](C)n1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc2sc3c(c2c1=O)CCCCC3	514385728	SIPIMBIXJBYSBI-ROUUACIJSA-N	552.788	3.121	0	20	KGAD	
CC(C)CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514390362	HQVRDRIPHOLMKB-IBGZPJMESA-N	519.602	3.163	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCCc3ncccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401702	CEROGNJJDTYXAW-UHFFFAOYSA-N	511.648	3.164	0	20	KGAD	
COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)ccc1OC(F)F	514404493	FVCUULJUCBVVEY-QGZVFWFLSA-N	541.573	3.161	0	20	KGAD	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514297265	YQAZJSHSDXXYNI-UHFFFAOYSA-N	562.497	3.054	0	20	KGAD	
CCOc1c(Br)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(CC)CC2)cc1OC	514297832	XXWKIEXEISVXLE-UHFFFAOYSA-N	611.559	3.272	0	20	KGAD	
O=C(CSCc1nc(O)c2c(-c3ccccc3)csc2n1)N1CCN(CC(=O)N2CCCC2)CC1	514299542	HUDWLIVSYSKZEX-UHFFFAOYSA-N	511.673	3.064	0	20	KGAD	
Cc1cccc(-c2nnc(SCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccco2)c1	514384425	PUNAZUCIPFQPFR-NHCUHLMSSA-N	530.672	3.182	0	20	KGAD	
O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1cccc(Cl)c1N1CCOCC1	514393789	KRKQRRZEFMDMMN-UHFFFAOYSA-N	510.012	3.035	0	20	KGAD	
Cc1cc(C)cc(N(CCC(=O)N[C@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(Br)cc2)c1	514293222	SQZSTWWTHVLTBP-JOCHJYFZSA-N	543.505	3.345	0	20	KGAD	
COC(=O)c1cc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)ccc1OC	514297578	VHLQGCDXYSEMMU-UHFFFAOYSA-N	502.633	3.433	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1	514300011	KTLGYEJFURAQEV-UHFFFAOYSA-N	521.705	3.051	0	20	KGAD	
CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)CC1	514384681	SJHWUZJCGZBQEC-UHFFFAOYSA-N	575.533	3.500	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1	514392817	CYPOKECEMXIDRJ-UHFFFAOYSA-N	530.068	3.219	0	20	KGAD	
CCCCCn1c(CCC(=O)Nc2nc(CC(=O)OCC)cs2)nc2c1c(O)nc(=O)n2CCCC	514392925	HPSYSOOBJUWMLN-UHFFFAOYSA-N	518.640	3.422	0	20	KGAD	
C[C@@H](C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)N1C(=O)c2ccc(Br)cc2C1=O	514402855	RZYXVPOHMFTDQY-GJZGRUSLSA-N	500.397	3.158	0	20	KGAD	
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)nc1C	514403143	JFAUAKUMJRRDHD-UHFFFAOYSA-N	576.722	3.370	0	20	KGAD	
CS(=O)(=O)NC1(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CCCCC1	514404203	BXQNKLYOLFXSDB-UHFFFAOYSA-N	518.032	3.262	0	20	KGAD	
O=C(Cc1ccccc1Cl)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)nc3sccn13)CC2	1813852904	RKIUQZHZJBKKPG-ZDUSSCGKSA-N	500.005	3.334	0	20	KGAD	
N[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cnc4snnc4c3)sc2C1)c1cccc(Cl)c1	1821276672	GSOXITBCZPMFNW-SUMWQHHRSA-N	500.009	3.122	0	20	KGAD	
CCn1c(CCC(=O)N(C)Cc2ccc(Cl)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377395	TZJWPYSISUPUML-UHFFFAOYSA-N	505.040	3.322	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)sc2c1CCS(=O)(=O)C2	514392891	GQVTUQDLULZSAL-HNNXBMFYSA-N	508.593	3.026	0	20	KGAD	
CN(C(=O)CSc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1	514395064	BPNDFWCKXZLYJL-PXDATVDWSA-N	511.623	3.354	0	20	KGAD	
COc1ccccc1N1C(=O)C[C@H](N2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)C1=O	514404714	JWMJIEMUWAIODA-IBGZPJMESA-N	524.927	3.256	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cn3ccc(Cl)cc3n1)CC2	1815631284	ZXEOUAZEPBRFRG-CYBMUJFWSA-N	500.009	3.252	0	20	KGAD	
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc2c(c1)OCO2)C(=O)N1CCCCC1	514293940	VEIYVZBJFAPLJC-HXUWFJFHSA-N	599.735	3.236	0	20	KGAD	
C[C@@H]1CCc2c(sc3nc(SCC(=O)N(C[C@@H]4CCCO4)[C@@H]4CCS(=O)(=O)C4)n(C[C@H]4CCCO4)c(=O)c23)C1	514300269	MSDOJRTYBLZUSW-YSTOQKLRSA-N	595.809	3.049	0	20	KGAD	
C[C@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514374421	BRKLEJCVVSMIPO-PKOBYXMFSA-N	563.727	3.326	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2c1	514376950	VKFYOUDHUONOAT-GOSISDBHSA-N	503.602	3.305	0	20	KGAD	
COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)CC2)c2ccccc12	514388015	LWSKIGYLWQJTOH-UHFFFAOYSA-N	555.628	3.499	0	20	KGAD	
COc1ccc([C@@H](C)NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)cc1Br	514404641	LDQWFTGQCFOFMQ-MRXNPFEDSA-N	565.490	3.175	0	20	KGAD	
COCCCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccccc1Cl	514291005	BWIXAZQMWRTFOD-UHFFFAOYSA-N	504.012	3.305	0	20	KGAD	
CC1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)CC1	514292055	KLSFWAANBNYRSO-FQEVSTJZSA-N	559.714	3.346	0	20	KGAD	
O=C(C1CCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1)N1CCCC1	514298797	GGXYZSJRSUXFHQ-UHFFFAOYSA-N	502.464	3.255	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)CC1	514300752	SUYDXNTTYUSJEC-QFIPXVFZSA-N	512.676	3.263	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(OC)cc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377386	SXDCUCSWDSYCRP-UHFFFAOYSA-N	516.620	3.056	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2CC(C)C)ccc1C	514390811	CQWSYUXIDCFQGD-IBGZPJMESA-N	538.740	3.229	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(O)nc1=O	514394059	HALRYQPLSAVQMB-LJQANCHMSA-N	519.602	3.464	0	20	KGAD	
CC(C)[C@@H](NC(=O)Cn1cc(I)c(=O)c(I)c1)c1ccc2c(c1)OCCO2	514402675	KOJYETKFMRHWIG-GOSISDBHSA-N	594.187	3.342	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2cccs2)o1	514292076	KQNKSLQALQKUTK-UHFFFAOYSA-N	537.689	3.396	0	20	KGAD	
CCCCn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293109	RRTSIKWZUKRXDK-UHFFFAOYSA-N	544.655	3.163	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1Cl	514295432	JIKGFWBYLZUQHC-NUJGCVRESA-N	516.085	3.216	0	20	KGAD	
COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1S(=O)(=O)N1CCOCC1	514377773	IPXVIARNZHXGSU-GOSISDBHSA-N	501.630	3.346	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)n2CC	514379401	RRPUBHYUJFOKRS-UHFFFAOYSA-N	596.175	3.206	0	20	KGAD	
COC(=O)c1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)ccc1OC	514379488	VUSVRNMQYCFVLW-UHFFFAOYSA-N	514.522	3.218	0	20	KGAD	
CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)sc2c1CCS(=O)(=O)C2	514393149	PIHSVNNRRRNLFH-UHFFFAOYSA-N	540.685	3.131	0	20	KGAD	
COc1cc(Br)c(CS(=O)(=O)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC	514402965	USGBCQNLRSZGND-GFCCVEGCSA-N	500.367	3.180	0	20	KGAD	
CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Cl)n1CCN1CCOCC1)N(C)C	514292914	NUNWERFKRFZAHO-WMZHIEFXSA-N	616.254	3.426	0	20	KGAD	
Cc1ccc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1	514296698	KBVRSVLOHNOKQQ-UHFFFAOYSA-N	508.540	3.066	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514302176	CXCIYIAYJOWTIP-QFIPXVFZSA-N	596.758	3.266	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1	514302513	FWSCTDUOTRIEBB-UHFFFAOYSA-N	514.467	3.243	0	20	KGAD	
Cc1sc2ncn(CCC(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)c(=O)c2c1C	514304427	TWFNUUZPWLBRSP-UHFFFAOYSA-N	500.646	3.229	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514375020	JYYNIHCFKIOAII-RBUKOAKNSA-N	531.704	3.369	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1	514377040	KFZVEJWLBBBJER-UHFFFAOYSA-N	515.588	3.081	0	20	KGAD	
O=C(CCSc1nnc(N2CCOCC2)n1-c1cccc(F)c1)Nc1ccc(N2CCCC2=O)cc1	514392581	YNNSUYSLGCHDED-UHFFFAOYSA-N	510.595	3.491	0	20	KGAD	
Cc1cc2nc(C)c(CCC(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)c(C)n2n1	514405522	XGBWMTBVZUYSLX-UHFFFAOYSA-N	510.447	3.427	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1	514291951	KPXAKNSDHKGAHP-LJQANCHMSA-N	563.727	3.246	0	20	KGAD	
COC(=O)c1cn(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c2ccccc12	514299248	DUWINHWBZHJYAC-UHFFFAOYSA-N	540.642	3.078	0	20	KGAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)NCC(=O)Nc1ccccc1Br	514303104	ULSWMBMWJWRFIU-MRXNPFEDSA-N	537.484	3.057	0	20	KGAD	
O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)sc2C1)c1cnc(Cl)s1	1825652155	NDTZBAXFOIGNES-HFGRPIQASA-N	500.005	3.389	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1	514291948	KPXAKNSDHKGAHP-IBGZPJMESA-N	563.727	3.246	0	20	KGAD	
COCCCN(C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514379883	WEHQNFFJQOLDTJ-UHFFFAOYSA-N	503.003	3.326	0	20	KGAD	
Cc1ccc(-n2c(S[C@@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)nnc2N2CCOCC2)cc1	514386134	FJGZIUBVIAXOOH-FQEVSTJZSA-N	508.648	3.265	0	20	KGAD	
COC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Br)cc1	514389484	HTFJZXYOLNKCCM-HXUWFJFHSA-N	509.422	3.270	0	20	KGAD	
CCCCn1c(CCC(=O)NC[C@H](c2cccs2)N2CCOCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395997	YYOJQTYUYBZZIY-RUZDIDTESA-N	589.784	3.041	0	20	KGAD	
O=C(Cn1ccc2sccc2c1=O)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)ccn3)sc2C1	1820384701	DNBHBGWROKWDEL-ZDUSSCGKSA-N	500.005	3.494	0	20	KGAD	
CC(C)Cn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccc(Br)cc2c1=O	514297091	NFEFAXBRUZWFHR-UHFFFAOYSA-N	533.448	3.485	0	20	KGAD	
CCn1c(CCC(=O)Nc2nc(CN3CCCCC3)cs2)nc2cc(S(=O)(=O)N(C)C)ccc21	514377634	CVEBUNSFXACZGZ-UHFFFAOYSA-N	504.682	3.320	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	514380741	ORWQWNQPHKTXFA-PZJWPPBQSA-N	587.768	3.453	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccccc2C(=O)N2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387373	FHPUENZYMDFCIQ-UHFFFAOYSA-N	553.685	3.275	0	20	KGAD	
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnnn2C[C@H]2CCCO2)nc1C	514389959	SYGSQLORPFCPHA-QGZVFWFLSA-N	502.622	3.119	0	20	KGAD	
COc1ccc(NC(=O)CCN(C)Cc2ccccc2N2CCOCC2)cc1S(=O)(=O)N1CCCCC1	514391136	HKSKNWCCHRLLMS-UHFFFAOYSA-N	530.691	3.167	0	20	KGAD	
CON(C)[C@@H](CC(C)C)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	1081024035	MGYWEYOUJKJAAX-HJOGWXRNSA-N	534.698	3.409	0	20	KGAD	
COCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514291236	BZPLYDYGNOPEPL-REWPJTCUSA-N	613.737	3.128	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1	514297993	YSBJZJKAKOWIFZ-UHFFFAOYSA-N	573.537	3.121	0	20	KGAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1	514374898	HOBYFKXNTORKNJ-IBGZPJMESA-N	509.694	3.120	0	20	KGAD	
CCCCCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1c(O)nc(=O)n(CCCC)c1N	514379015	LDGRCXNWSSYQNK-UHFFFAOYSA-N	537.658	3.094	0	20	KGAD	
O=C(Cn1cc(Cl)cn1)N[C@H]1CCc2nc(NC(=O)c3csc(-c4cccnc4)n3)sc2C1	1817369578	URQRXMAMJZZYEA-AWEZNQCLSA-N	500.009	3.438	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnnn1-c1c(C)cccc1C	514301281	ZLJWCFYSRPGMMT-UHFFFAOYSA-N	500.650	3.493	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1	514374402	BMPWGMBUVNYYMC-IBGZPJMESA-N	612.734	3.366	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	514378822	IIBHYLFYZHGLHZ-HXUWFJFHSA-N	521.705	3.312	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)ccc1C	514380897	YLIMPSKBJACZGP-UHFFFAOYSA-N	578.757	3.289	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(CCOc3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514382650	UIWTXUCUXTYEBT-UHFFFAOYSA-N	583.755	3.013	0	20	KGAD	
COCCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1	514386380	MWGDBYHWQRKJLP-IBGZPJMESA-N	536.075	3.102	0	20	KGAD	
CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	514386929	IUPRNPUJTQMNMU-GOSISDBHSA-N	567.417	3.289	0	20	KGAD	
CCCn1c(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)OC)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514390354	HDBDPUYQTPDWOH-QHCPKHFHSA-N	528.675	3.310	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1	514394601	PAYFGGBRUKVTAQ-OAQYLSRUSA-N	504.609	3.035	0	20	KGAD	
COc1cc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)cc1Cl	514405276	VHIUVOMPOXHBLY-UHFFFAOYSA-N	530.430	3.262	0	20	KGAD	
CCCCn1c(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)OC)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514381107	XTAPKJNZVCDDCC-DEOSSOPVSA-N	540.686	3.454	0	20	KGAD	
COCCn1c(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)nc2sc3c(c2c1=O)CCCC3	514381698	ONIFIGGZKQIKEX-UHFFFAOYSA-N	507.659	3.330	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC)[C@@H]1CCS(=O)(=O)C1	514395933	XJACKKCEUPGRDZ-RTBURBONSA-N	556.776	3.137	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	514290953	AJDSLAVQDWLFQB-UHFFFAOYSA-N	527.565	3.391	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(C[C@H](C)c2ccccc2)o1	514291505	GTLPPNBGODNNIZ-KRWDZBQOSA-N	532.644	3.176	0	20	KGAD	
CCN(C(=O)CSc1nnc(COc2ccccc2-c2ccccc2)n1CCOC)[C@@H]1CCS(=O)(=O)C1	514294317	WFNFFWUWNHIKJT-OAQYLSRUSA-N	544.699	3.298	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccc(C)cc2O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514300767	TXLXAZJBYBVYFV-UHFFFAOYSA-N	500.621	3.443	0	20	KGAD	
CNS(=O)(=O)c1cc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)ccc1C	514385488	IZKDBMVRUYSHDB-INIZCTEOSA-N	507.663	3.133	0	20	KGAD	
COc1ccccc1N(CCC(N)=O)C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1	514389846	OTUOWBNCJFOXHP-MRXNPFEDSA-N	501.634	3.195	0	20	KGAD	
COc1ccc([C@@H]2CCCN2C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1OC	514394270	LNGRKRXEWSSLKB-FQEVSTJZSA-N	529.615	3.150	0	20	KGAD	
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1	514404344	CPMBPYUWCCUYEH-UHFFFAOYSA-N	510.664	3.255	0	20	KGAD	
CCN(C(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514293445	UMZUTCCWRPQENJ-UHFFFAOYSA-N	613.766	3.125	0	20	KGAD	
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1=O	514297149	SKQQDKDEOXQAQM-FCHUYYIVSA-N	570.712	3.049	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299893	JUBLJASWWAHQMO-WOJBJXKFSA-N	548.086	3.326	0	20	KGAD	
Cn1c(CCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514377399	UHKPVNGGIOGDEM-UHFFFAOYSA-N	581.617	3.021	0	20	KGAD	
COc1ccc(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1S(=O)(=O)N1CCOCC1	514377679	DVJHPTVZRLEVPH-UHFFFAOYSA-N	515.657	3.275	0	20	KGAD	
Cn1ccnc1[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1	514394168	RRICTRLPNPWPLN-AREMUKBSSA-N	591.731	3.088	0	20	KGAD	
CCC(C)(C)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1	514395093	CEIZWWRKPSOVQJ-INIZCTEOSA-N	502.662	3.072	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2nn(-c3ccccc3)cc2OC)c1	514384249	MAMBCYMWYCWJSI-UHFFFAOYSA-N	513.620	3.000	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514292437	LHVNRYUUGLZPSI-UHFFFAOYSA-N	557.641	3.187	0	20	KGAD	
CCOc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)CC1	514300655	QPNFJJYTSSLZPZ-UHFFFAOYSA-N	500.665	3.288	0	20	KGAD	
CCCCNS(=O)(=O)c1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c1	514391537	KUPKPGUAWGUHTD-UHFFFAOYSA-N	509.650	3.007	0	20	KGAD	
COC(=O)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC)c(OC)c1	514405518	XCPCPJJDWYRVID-FQEVSTJZSA-N	534.631	3.311	0	20	KGAD	
CCOc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1OCC	514295803	FOXPNJJJICVPEL-UHFFFAOYSA-N	506.621	3.063	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c(C(=O)OC)c1C	514377617	CANYFVPQWPLKAB-UHFFFAOYSA-N	515.009	3.323	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)c1c(O)nc(=O)n(CCCC)c1N	514378074	QPFPVGBJDUYNMB-UHFFFAOYSA-N	555.724	3.334	0	20	KGAD	
O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)N1CCN(C(=O)c2ccco2)CC1	514384482	SRXLSXXDGJTVPV-UHFFFAOYSA-N	501.012	3.191	0	20	KGAD	
COc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)n2C[C@H]2CCCO2)cc1	514403957	UXFOBYJPHBEDIT-WIYYLYMNSA-N	525.631	3.191	0	20	KGAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	514294248	YLVUWUSMLSCPDT-FQEVSTJZSA-N	545.605	3.217	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N1CCN(c2ccccc2F)CC1)c1c(O)nc(=O)n(CCCC)c1N	514296046	OCTCABJSPVTPIZ-UHFFFAOYSA-N	530.645	3.123	0	20	KGAD	
CCN(CC)C(=O)c1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1	514300236	MHCMMNNTAWLCNV-UHFFFAOYSA-N	502.637	3.402	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1	514303061	SDJGVQYMDMZBKP-VWNXMTODSA-N	528.631	3.372	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cc(Cl)c(OC)cc2OC)c(C(=O)OC)c1C	514381068	VYDZPHGCPNLRQG-ZDUSSCGKSA-N	595.117	3.339	0	20	KGAD	
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1	514386655	WXJUUUPCWBUOBC-UHFFFAOYSA-N	575.736	3.439	0	20	KGAD	
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	514390150	ZKJVKRZADJDVFW-UHFFFAOYSA-N	536.580	3.456	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](c4nnc5n4CCCCC5)C3)CC2)cc1	514394586	OSCIBRZXUHVYEB-OAQYLSRUSA-N	515.680	3.210	0	20	KGAD	
N[C@@H](CCC(=O)N[C@@H](CSc1ccc(Br)cc1)C(=O)NCC(=O)OC1CCCC1)C(=O)OC1CCCC1	261506963	DABPWZJLWKRNPL-VXKWHMMOSA-N	598.560	3.221	0	20	KGAD	
COCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCCc1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514293772	XDDFWRBPGVENSX-UHFFFAOYSA-N	592.722	3.302	0	20	KGAD	
CCCCN(C(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1c(O)nc(=O)n(CC(C)C)c1N	514296975	UUEPPYOQXUPWSA-IQGLISFBSA-N	517.627	3.050	0	20	KGAD	
CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1=O	514297156	SKQQDKDEOXQAQM-YADHBBJMSA-N	570.712	3.049	0	20	KGAD	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c12	514299487	GLGUBUAAOJQRCO-HSZRJFAPSA-N	593.731	3.277	0	20	KGAD	
O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514300255	MJQHDRRKJRIBIW-RTBURBONSA-N	508.666	3.330	0	20	KGAD	
CCOc1ccc(C(=O)N2CCC(NC(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1	514391521	KHAAUBIZBOYYDJ-UHFFFAOYSA-N	514.431	3.091	0	20	KGAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)Nc1ccc(CN2CCOCC2)cc1	514394345	USGSQDCAELURRG-QFIPXVFZSA-N	500.669	3.010	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)CCc3nc4cc(S(=O)(=O)N(C)C)ccc4n3CC)c(C)c2)CC1	514291732	GPVFLQGWUINISV-UHFFFAOYSA-N	526.707	3.328	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(COc2ccccc2Cl)n1C)c1c(O)nc(=O)n(CC(C)C)c1N	514292920	PYLYZWRTBZKENT-UHFFFAOYSA-N	550.085	3.473	0	20	KGAD	
C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc3c(c2)OCO3)C1	514374987	JEVOLTHXISVAPD-OYRHEFFESA-N	613.762	3.340	0	20	KGAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@@H](C)COC)n1	514376001	ZAFTVONPSNHNNM-KRWDZBQOSA-N	610.784	3.476	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)C1	514390356	HDBJMBBCXVKYLP-HXUWFJFHSA-N	568.718	3.293	0	20	KGAD	
NC(=O)CCCCCn1c(SCC(=O)NCCc2ccc(OC(F)F)cc2)nc2ccccc2c1=O	514392109	UDEFZVXJQNWFAG-UHFFFAOYSA-N	518.586	3.495	0	20	KGAD	
CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	514292462	LBHWOKZZEWLSJC-HUUCEWRRSA-N	525.421	3.467	0	20	KGAD	
CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2[C@H](C)c2ccccc2)C1	514293057	QYHUOHRBRXILCA-RDGATRHJSA-N	627.789	3.469	0	20	KGAD	
CN(C)CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1cccc(Cl)c1	514293861	UKOPLAPKJWSFKR-UHFFFAOYSA-N	508.069	3.262	0	20	KGAD	
CCCCCc1ccc(NC(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)cc1	514297325	UVNULMVPAZCGLZ-UHFFFAOYSA-N	501.628	3.318	0	20	KGAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1	514379245	QVGLGMXDFHLNFZ-UHFFFAOYSA-N	593.724	3.372	0	20	KGAD	
CCOc1cc(C(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)ccc1OCC(=O)N1CCCCC1	514387196	CXCQORWRHASFSQ-UHFFFAOYSA-N	529.659	3.320	0	20	KGAD	
C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	514387420	GEQYLPXHGOBGKG-HNNXBMFYSA-N	547.124	3.279	0	20	KGAD	
C[C@@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)n2Cc2ccco2)C1	514392758	ATWQMRPTYDBXGM-BRWVUGGUSA-N	518.665	3.168	0	20	KGAD	
CCOc1ccc(OC[C@@H](O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2CCCOC)cc1	514405208	RWSSEVNBTHPPDH-GOSISDBHSA-N	502.589	3.150	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(NC(=O)C(C)C)cc3)CC2=O)cc1	514302564	GPPQMWDYFIPURO-SFHVURJKSA-N	500.621	3.303	0	20	KGAD	
O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1	514303949	RAYXDLDMRPHARP-NRFANRHFSA-N	511.566	3.121	0	20	KGAD	
CCCn1c(CSc2nc3ccccc3c(=O)n2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514381867	WCSBLXNVDLWNAD-UHFFFAOYSA-N	513.645	3.006	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)n1-c1ccc(OC)cc1)N(C)C	514386720	ZNJLZZDAZKBFNJ-HXUWFJFHSA-N	532.692	3.236	0	20	KGAD	
O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2	514386895	HWFNXKXISUEODO-FAYCDVIOSA-N	520.139	3.442	0	20	KGAD	
COCCn1c(SCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)nc2ccc(Br)cc2c1=O	514390567	OUTSBTZTWASZPM-UHFFFAOYSA-N	595.541	3.127	0	20	KGAD	
CCOC(=O)c1c(C(=O)CSCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n(CC)c1C	514402994	OIJXWGSHIMCXKT-UHFFFAOYSA-N	538.688	3.317	0	20	KGAD	
COc1ccc(NC(=S)/C(=C(/O)c2ccc(O)c(C(N)=O)c2)n2ccc(=[N+](C)C)cc2)cc1Cl	726963113	PYSRDMMKDRHNDR-UHFFFAOYSA-O	500.000	3.310	0	20	KGAD	
CCc1sc2nc(SCC(=O)N3CCN(C(C)=O)CC3)n(-c3cccc(OC)c3)c(=O)c2c1C	514293042	RFGBUFPWFNHOJD-UHFFFAOYSA-N	500.646	3.109	0	20	KGAD	
CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)N(CCOC)c4c(O)nc(=O)n(CC(C)C)c4N)n3C)cc2C1	514293261	SWXCFSUVQLCZNI-MRXNPFEDSA-N	575.761	3.331	0	20	KGAD	
CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)c2)CC1	514383282	FZLSOXKCMYEFJM-UHFFFAOYSA-N	588.674	3.071	0	20	KGAD	
COc1ccccc1COC[C@H](O)CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1	514401348	UXNALISOCZHAHW-DEOSSOPVSA-N	543.711	3.267	0	20	KGAD	
COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1C	514402533	OSFFUSGEHXQGQR-UHFFFAOYSA-N	501.605	3.045	0	20	KGAD	
CC(C)CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1cccc(Cl)c1	514292819	MOQGOGHVRLXXBY-UHFFFAOYSA-N	550.106	3.473	0	20	KGAD	
CCn1c(SCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)nc2cc(S(N)(=O)=O)ccc21	514296695	KBLRJWNTGTYOPD-QHCPKHFHSA-N	531.704	3.148	0	20	KGAD	
CCCCn1c(CCC(=O)N2CCN(c3nccs3)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514303993	RSCVHAQFSWPYMY-UHFFFAOYSA-N	530.720	3.359	0	20	KGAD	
COCCn1c(SC[C@H](O)COCc2ccccc2OC)nc2ccc(Br)cc2c1=O	514388179	WBSRCNCNMUTSQI-QGZVFWFLSA-N	509.422	3.484	0	20	KGAD	
COc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc(OC)c1OC	514393775	JYKRNIGSUSONSU-INIZCTEOSA-N	527.437	3.192	0	20	KGAD	
CCCCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1c(O)nc(=O)n(CCCC)c1N	514402116	FWFXJBLLHRPQEB-GOSISDBHSA-N	537.658	3.094	0	20	KGAD	
Cc1cccc(C(=O)N2CCCN(C(=O)C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)CC2)c1	514403349	YONNXKVLLALSFK-UHFFFAOYSA-N	515.540	3.043	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)n1-c1ccc(F)cc1)N(C)C	514375934	WZOKFEORUFFVPS-UTKZUKDTSA-N	523.700	3.470	0	20	KGAD	
COc1ccc(NC(C)=O)cc1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C	514378642	GMYJXDMREHGXLF-UHFFFAOYSA-N	513.620	3.286	0	20	KGAD	
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1C	514385058	YNQIHYBSFASUNV-MRXNPFEDSA-N	510.513	3.144	0	20	KGAD	
COC(=O)CCCCCn1c(SC[C@@H](O)COc2ccc(C(=O)OC)cc2OC)nc2ccccc2c1=O	514387743	PSWBQZUBOMTAGL-IBGZPJMESA-N	544.626	3.457	0	20	KGAD	
CCOc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C(C)C)cc1OCC	514390129	YUUHTFHWOQTFQG-AREMUKBSSA-N	531.675	3.464	0	20	KGAD	
Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)n([C@@H]2CCS(=O)(=O)C2)n1	514391720	PNWCCLPJQKLTEG-OAHLLOKOSA-N	510.041	3.226	0	20	KGAD	
CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)CC1	514393587	GOARCTKFYYTAIT-UHFFFAOYSA-N	506.676	3.009	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	514296083	JKLIDRSDSBXOLL-UHFFFAOYSA-N	551.687	3.305	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1	514296987	LWMQZGKJUUVGGH-UHFFFAOYSA-N	521.583	3.373	0	20	KGAD	
CCCn1c(CCC(=O)N[C@H](Cc2ccccc2)C(=O)OC)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514298170	ZNZGJWDUKTXMLG-HSZRJFAPSA-N	526.659	3.064	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1	514382510	NPJVIEURSPBORN-UHFFFAOYSA-N	589.567	3.381	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1)N1CCCCC1	514386629	WDULNLNPXACZNB-JOCHJYFZSA-N	584.768	3.244	0	20	KGAD	
O=C(CSc1nnc(N2CCOCC2)n1Cc1ccco1)NC[C@H](c1ccccc1Cl)N1CCCC1	514394330	UFKSXTVZTXFKQK-JOCHJYFZSA-N	531.082	3.455	0	20	KGAD	
Cn1ccnc1[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccccc1	514395645	PIXRZDQZTIXHCP-AREMUKBSSA-N	520.659	3.320	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1	514300709	QYOJGZKNZBKXBW-UHFFFAOYSA-N	523.677	3.379	0	20	KGAD	
CCOc1cc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)ccc1OCC(=O)N1CCCCC1	514302226	NBEBRRBOXSHVBC-UHFFFAOYSA-N	531.631	3.178	0	20	KGAD	
CCCCn1c(SCc2cc(=O)n3ccsc3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514376931	UNAITBSTPKMLAN-UHFFFAOYSA-N	519.674	3.219	0	20	KGAD	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)c1OC	514377610	BUNJVLVFVTVUBP-UHFFFAOYSA-N	615.730	3.486	0	20	KGAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N[C@H](CC(=O)OC)c2ccc(OC)c(OC)c2)cc1	514389768	MCIYYWPHDZRISJ-HXUWFJFHSA-N	532.615	3.363	0	20	KGAD	
CCN1CCc2c(sc3nc(S[C@H](C)C(=O)N4CCC[C@H](C(N)=O)C4)n(-c4cccc(OC)c4)c(=O)c23)C1	514395579	NXSWVVFPKVKOND-SJORKVTESA-N	555.726	3.038	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2cccs2)n1CC)c1c(O)nc(=O)n(CC(C)C)c1N	514291914	IMXLQBFKWOWTEQ-UHFFFAOYSA-N	505.670	3.452	0	20	KGAD	
CC(=O)Nc1ccc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NC34CC5CC(CC(C5)C3)C4)c2=O)cc1	514296015	FCEWVCPBZFMRDS-UHFFFAOYSA-N	535.710	3.178	0	20	KGAD	
O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)NC(=O)Nc1ccc2c(c1)OCCO2	514375891	ZAMCGPOVYMVLDC-HNNXBMFYSA-N	501.590	3.397	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)CSc2nnc3n(-c4cc(C)ccc4OC)c(=O)c4ccccc4n23)CC1	514292827	MWSVDWWJIAZYMB-UHFFFAOYSA-N	535.626	3.244	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514299015	CDWWURXUYRXGBK-UHFFFAOYSA-N	564.668	3.003	0	20	KGAD	
CCCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)CC(=O)Nc1ccccc1OC	514380276	HIWOESPQZLGQRK-UHFFFAOYSA-N	532.663	3.168	0	20	KGAD	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1Br	514380353	IESAFVIWZCNGED-OKILXGFUSA-N	519.439	3.056	0	20	KGAD	
CSC[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514381059	VQSBWFWKXVSNJM-QHAWAJNXSA-N	559.666	3.104	0	20	KGAD	
CCCCCn1c(CCC(=O)N(C)Cc2ccc(C(=O)NC)cc2)nc2c1c(O)nc(=O)n2CCCC	514387062	AQHOKPWNFCVMIY-UHFFFAOYSA-N	510.639	3.240	0	20	KGAD	
NC(=O)CCn1c(SCCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)nnc1-c1cccs1	514395971	YIYCHULORBDHDW-UHFFFAOYSA-N	569.134	3.441	0	20	KGAD	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1S(=O)(=O)N1CCCCC1	514300386	NDVGZRWGJYRVDN-UHFFFAOYSA-N	557.641	3.187	0	20	KGAD	
COc1ccc(CCNC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)cc1OC	514302722	RARHZIIPMQBOLT-HXUWFJFHSA-N	503.669	3.162	0	20	KGAD	
CCn1c(SCC(=O)NCc2cc(OC)c(OC)c(OC)c2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514385666	PXAVAPKCHXFNAZ-UHFFFAOYSA-N	575.713	3.184	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nccc(C(F)(F)F)n1	514394192	IFEYASWWKZZAFQ-UHFFFAOYSA-N	520.555	3.034	0	20	KGAD	
CC(C)C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCOCC1	514394934	WZWNBQMJIPSOIN-GOSISDBHSA-N	506.496	3.257	0	20	KGAD	
Cn1c(SCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nnc1[C@H]1COc2ccccc2O1	514402681	KOVDADXJXMCFKQ-OAQYLSRUSA-N	529.644	3.233	0	20	KGAD	
CCOc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1	514291611	GPOUPCVFMBVPJY-UHFFFAOYSA-N	503.621	3.114	0	20	KGAD	
COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514297213	QQFICVTYQVUKPI-UWJYYQICSA-N	586.132	3.479	0	20	KGAD	
CCCn1c(N)c(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2[C@@H](C)CC)c(O)nc1=O	514375140	LUJQKBFEUJAGHC-INIZCTEOSA-N	577.733	3.176	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CCOc3ccc(Br)cc3)CC2)cc1	514377520	YUSPTAQPLQTLBM-UHFFFAOYSA-N	511.438	3.396	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1ccc(C(=O)OC)s1)c1c(O)nc(=O)n(CCCC)c1N	514387292	FYAXKYPQXYVTRI-UHFFFAOYSA-N	507.613	3.121	0	20	KGAD	
C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1	514293867	ULASSEOWSQZBRN-IRXDYDNUSA-N	500.600	3.087	0	20	KGAD	
CCOc1cc(-c2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2CCCOC)ccc1O[C@@H](C)C(=O)N(C)C	514295377	AIHUIOLEMIHMGT-IBGZPJMESA-N	549.628	3.305	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1S(=O)(=O)NC(C)(C)C	514297568	VCHFBDUNTZSCFQ-UHFFFAOYSA-N	594.756	3.036	0	20	KGAD	
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O	514301682	BYXZLOQJBPRQTM-GOSISDBHSA-N	512.053	3.320	0	20	KGAD	
COc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)cc1S(=O)(=O)N1CCCC1	514376966	JEOODRRSYFKXDM-QFIPXVFZSA-N	529.659	3.356	0	20	KGAD	
CSCC[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514387516	INYRZPRVCNTJDF-SOLBZPMBSA-N	562.541	3.123	0	20	KGAD	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	514290897	BABFZPVXSKCMBL-UHFFFAOYSA-N	533.544	3.205	0	20	KGAD	
CCn1c(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514292377	KOLMTOGNPWAGSY-JOCHJYFZSA-N	595.813	3.190	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514296672	OMNHJESMRXEDPP-UHFFFAOYSA-N	611.737	3.221	0	20	KGAD	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1	514300845	SFYQAZDGAFPDLK-UHFFFAOYSA-N	520.586	3.467	0	20	KGAD	
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N3CCOCC3)cc1N1CCOCC1)C2=O	514377707	GBRKZNCIAZLZPF-UHFFFAOYSA-N	541.693	3.215	0	20	KGAD	
O=C(NCCc1nc2ccccc2s1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514404413	GNFHUHYGWMYBLC-UHFFFAOYSA-N	514.673	3.280	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514293711	WSTVYDXRKHODMI-QPPBQGQZSA-N	620.794	3.426	0	20	KGAD	
COc1cc(CCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc(OC)c1OC	514297424	WCVRRFHJFBLNNZ-UHFFFAOYSA-N	517.431	3.485	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1	514300090	SIXIRYKENSHOLW-OAQYLSRUSA-N	507.678	3.165	0	20	KGAD	
COc1ccc(NC(=O)CCN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1S(=O)(=O)N1CCCCC1	514390029	VKRLIEAMBTXPRH-UHFFFAOYSA-N	549.093	3.310	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3c(Cl)cccc13)CC2	1815633156	QVONXVIXYLKISE-LLVKDONJSA-N	500.009	3.481	0	20	KGAD	
C[C@H](C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O)N(C)C(=O)OC(C)(C)C	2382215750	OTIUWLQNRLSWTJ-CJNUZUDLSA-N	556.704	3.294	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	514295144	BCSOAQVJNFOPRE-OAHLLOKOSA-N	505.618	3.180	0	20	KGAD	
CCN(CC)C(=O)c1ccc(NC(=O)CNc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)cc1	514300333	OXNXGTUUGCPXFE-UHFFFAOYSA-N	545.706	3.086	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)cc1S(=O)(=O)N1CCOCC1	514385364	FQEIUXHJEUFKDA-UHFFFAOYSA-N	599.735	3.019	0	20	KGAD	
CCCCCn1c(CCC(=O)Nc2ccccc2C(=O)N2CCOCC2)nc2c1c(O)nc(=O)n2CCCC	514403710	ZMSJGHJUSWCLRC-UHFFFAOYSA-N	538.649	3.333	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	514295415	JCDAVXDSKYSBEM-UHFFFAOYSA-N	521.661	3.297	0	20	KGAD	
CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1Oc1ccc(F)cc1)C2=O	514296078	OTRGAXAZRINHAU-UHFFFAOYSA-N	574.631	3.078	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(COCC(F)(F)F)cc3)CC2)cc1	514301918	HGWXUTFOIBEYPG-UHFFFAOYSA-N	500.539	3.491	0	20	KGAD	
COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc1S(=O)(=O)N1CCCCCC1	514402631	PZYLCSMASWGYPG-HSZRJFAPSA-N	501.649	3.063	0	20	KGAD	
O=C(Cn1ccncc1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3c(Cl)cccc3s1)CC2	1824533259	FYAAJRKPXKJATR-LBPRGKRZSA-N	500.005	3.494	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2[C@H](C)COC)c1	514292540	LQJOADLAKBIKDB-LJQANCHMSA-N	624.811	3.164	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(c3ccc(O)cc3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514377692	FKPDINHLNDBSJK-UHFFFAOYSA-N	527.691	3.464	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514380422	KRJJKOIRSCIKGG-KRWDZBQOSA-N	561.026	3.425	0	20	KGAD	
COCCN(C(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1	514385781	USYUIHGNDAQNTG-GOSISDBHSA-N	575.116	3.073	0	20	KGAD	
CSc1ncccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c3nncn3c1)CC2	1820980180	JCLKQWQJXGQJRS-LBPRGKRZSA-N	500.009	3.496	0	20	KGAD	
COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1	514292524	NJLVNZARAYSFNM-QGZVFWFLSA-N	532.644	3.118	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1	514298197	ZZWJJGWXHBCPSW-NHCUHLMSSA-N	529.615	3.399	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1	514301879	FWXZTVLRIPARDB-UHFFFAOYSA-N	505.662	3.095	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514375022	JYYNIHCFKIOAII-RTBURBONSA-N	531.704	3.369	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)Nc2ccccc2Br)c1	514380891	XWAOJGNCFXCYDY-UHFFFAOYSA-N	525.469	3.367	0	20	KGAD	
O=C(CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1)Nc1ccccc1Cl	514382862	WZSQHKCDKOQQKI-UHFFFAOYSA-N	519.067	3.301	0	20	KGAD	
CCn1c(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)nnc1-c1ccco1	514388483	VAUWDVPBAZUGDR-UHFFFAOYSA-N	501.634	3.414	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)CC2)cc1	514388587	QAMLDTLZNBUINY-RUZDIDTESA-N	511.644	3.202	0	20	KGAD	
COc1ccc(-c2nc(CN3CCN(C(=O)c4cccc(S(=O)(=O)NC(C)C)c4)CC3)cs2)cc1	514394445	NODVJCJDRNJTJZ-UHFFFAOYSA-N	514.673	3.463	0	20	KGAD	
CCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293207	SISPWRWIEFLOLF-UHFFFAOYSA-N	621.782	3.078	0	20	KGAD	
O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	514293928	XPNHONIEVQRDDE-UHFFFAOYSA-N	575.160	3.201	0	20	KGAD	
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1	514301681	BXEFQSROOMUOHV-OAHLLOKOSA-N	564.513	3.346	0	20	KGAD	
COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC	514380351	IEKWSSUWBIATFS-UHFFFAOYSA-N	547.449	3.220	0	20	KGAD	
CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)sc1C	514383408	DEKZINSJYIUBTN-UHFFFAOYSA-N	584.720	3.371	0	20	KGAD	
Cc1ccc(-n2nnnc2SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1C	514389452	HGNXVRLPSHAJJX-UHFFFAOYSA-N	512.661	3.135	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1	514394418	MWRBAKCANXTBCL-NRFANRHFSA-N	575.540	3.303	0	20	KGAD	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C	514394961	XYUDFANDPLEHCD-INIZCTEOSA-N	506.575	3.025	0	20	KGAD	
CCN1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)c(C)c2)CC1	514400845	CFPRZBMIKUSSBL-UHFFFAOYSA-N	506.619	3.455	0	20	KGAD	
CC(C)n1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc2c1=O	514402471	JVFPKAPCEKZIDA-KRWDZBQOSA-N	516.645	3.118	0	20	KGAD	
CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C	514402955	UGTGWDFEXYNFPI-UHFFFAOYSA-N	510.638	3.175	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c(O)nc1=O	514301623	AYYFCGOOHBPWKU-UHFFFAOYSA-N	539.724	3.189	0	20	KGAD	
CCCCN(C(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC)c1c(O)nc(=O)n(CCC)c1N	514374776	GWIOJWGJJWPADP-UHFFFAOYSA-N	605.787	3.411	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N(C)Cc2c(F)cccc2Cl)n1CCN1CCOCC1)N(C)C	514375172	MJYBVDHOJLLUQE-FQEVSTJZSA-N	513.083	3.166	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	514394795	STNGTZRNSHRMBT-FPOVZHCZSA-N	506.650	3.026	0	20	KGAD	
COc1cccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)N2CCCC2)c1	514297527	XVCZATOSBCWQRC-FHAGJXEFSA-N	501.649	3.060	0	20	KGAD	
COc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)N3CCC[C@H](C)C3)c2=O)ccc1OC(F)F	514298229	XNTPFMMDPZDGHY-INIZCTEOSA-N	522.614	3.003	0	20	KGAD	
O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1	514299968	JGIHZIMJCMQOFA-LJQANCHMSA-N	501.596	3.105	0	20	KGAD	
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514302755	SBHNWARCJIEXHM-UHFFFAOYSA-N	533.956	3.469	0	20	KGAD	
C[C@H]1CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2cccc(Cl)c2)C[C@H](C)O1	514374617	CYDQQBJSAMLBRV-OALUTQOASA-N	592.143	3.337	0	20	KGAD	
CSCC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1C(=O)c2ccccc2C1=O	514378671	GVGILOAEUGBREE-OAQYLSRUSA-N	501.630	3.218	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c(O)nc1=O	514379129	MNDYFURGWYLDKI-SIBVEZHUSA-N	531.654	3.440	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)cc1	514384483	SSUOPGZFKOEJNZ-UHFFFAOYSA-N	548.666	3.004	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)CC2)cc1	514388362	XOQKDSIPAYXCQT-UHFFFAOYSA-N	513.616	3.002	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC3CCCC3)n2[C@H](C)COC)c1	514293332	QJECNFFKLLHQQB-QGZVFWFLSA-N	509.698	3.334	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	514293402	RLJCAENDPJINOX-IBGZPJMESA-N	515.657	3.478	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCC(=O)NCCc1ccc(OC)c(OC)c1	514295922	GPWRLEKCZIAEDG-UHFFFAOYSA-N	505.637	3.048	0	20	KGAD	
CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)CC1	514385001	WOPJYRKXNSZCAO-UHFFFAOYSA-N	524.666	3.284	0	20	KGAD	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)CC2	514387563	OYVSYHGNLQZGDP-AMGIVPHBSA-N	500.661	3.323	0	20	KGAD	
CCc1c(C)sc2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n(C[C@@H]3CCCO3)c(=O)c12	514293519	SHFVYSADDQOZPS-KRWDZBQOSA-N	530.672	3.178	0	20	KGAD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	514297906	WTIAWGBDBZOJOK-UHFFFAOYSA-N	504.962	3.336	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(Br)s1	514380574	NFKHYSMFXRTJHH-UHFFFAOYSA-N	525.468	3.120	0	20	KGAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c1C	514382102	GLUTWMCJJFWTLV-UHFFFAOYSA-N	507.678	3.224	0	20	KGAD	
CCOCCCn1c(S[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nc2ccc(Br)cc2c1=O	514387644	HAQUODHQOYESMA-WBVHZDCISA-N	560.536	3.102	0	20	KGAD	
Cc1sc2nc(SCC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)n(C(C)C)c(=O)c2c1C	514390140	ZDSYYMVAXBBVBO-GFCCVEGCSA-N	506.675	3.373	0	20	KGAD	
C[C@H]1CCCN(c2nnc(SCC(=O)N(CCC(N)=O)c3ccc(F)cc3)n2Cc2ccco2)C1	514393678	IXLMJOAKMJDIIU-KRWDZBQOSA-N	500.600	3.296	0	20	KGAD	
CCCCn1c(CCC(=O)N(C)Cc2nc(O)c3sccc3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514394486	VWTIZGJQFPGEQB-UHFFFAOYSA-N	572.713	3.159	0	20	KGAD	
Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1C	514404790	MTRTUENZMBWCMK-QGZVFWFLSA-N	502.687	3.404	0	20	KGAD	
COC(=O)CC[C@@H](C(N)=O)N1Cc2c(OCc3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cccc2C1=O	118442853	BEZYCDGDWFHFTJ-VWLOTQADSA-N	580.682	3.081	0	20	KGAD	
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1=O	514297155	SKQQDKDEOXQAQM-VXKWHMMOSA-N	570.712	3.049	0	20	KGAD	
CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514375329	OMTGKIMSJPKZKM-OAHLLOKOSA-N	500.646	3.272	0	20	KGAD	
O=C(NCCSCc1ccccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514384042	KIONCGWYRLZHBV-UHFFFAOYSA-N	508.637	3.437	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1	514387954	KFGLCIXJWWUIDU-UHFFFAOYSA-N	534.078	3.308	0	20	KGAD	
CCOc1ccc(-n2c(S[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)nc3sc4c(c3c2=O)CCC4)cc1	514388550	PAJNJTGIFOBWKP-HUUCEWRRSA-N	533.697	3.119	0	20	KGAD	
COc1ccc(CSc2nnc(SCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)s2)cc1	514299800	IUSKBMZACMOAPK-SJLPKXTDSA-N	529.731	3.126	0	20	KGAD	
COC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1	514379241	QRCFRSDMZKAQIF-UHFFFAOYSA-N	584.651	3.243	0	20	KGAD	
CCCNc1nnc(SCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)s1	514386309	JYMNMZXQKHKXEQ-UHFFFAOYSA-N	502.588	3.254	0	20	KGAD	
C[C@@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	514387951	KESZMWAWNLAKGF-IEBWSBKVSA-N	504.703	3.299	0	20	KGAD	
Cc1sc2ncnc(N3CCC(C(=O)N4CCN(CC(=O)N5C[C@H](C)C[C@@H](C)C5)CC4)CC3)c2c1C	514392337	VUSOEGHKWAZULV-RTBURBONSA-N	512.724	3.173	0	20	KGAD	
CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(CCOC)[C@@H]4CCS(=O)(=O)C4)nnc23)cc1	514403930	UGOADSSDCCJDHC-SIKLNZKXSA-N	583.736	3.301	0	20	KGAD	
CC(=O)N1CCN(C(=O)CSc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2C[C@H]2CCCO2)CC1	514291032	CNHPCNYZCSYVAF-HXUWFJFHSA-N	526.684	3.395	0	20	KGAD	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1)NCC1CCCCC1	514293129	SAEWEQWJNRYNSZ-UHFFFAOYSA-N	559.714	3.396	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(C)c(F)c2)c(C(=O)OC)c1C	514296371	KFNWKWCFTKXOKI-OAHLLOKOSA-N	532.637	3.116	0	20	KGAD	
CCCCN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514294304	WCQPEPZQMDXWEM-UHFFFAOYSA-N	522.635	3.241	0	20	KGAD	
CC(C)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377647	CYMLCHZOBDVCBZ-UHFFFAOYSA-N	589.665	3.338	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(O)nc1=O	514379033	LXDQGKJNPJASFT-UHFFFAOYSA-N	583.711	3.282	0	20	KGAD	
CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1	514386139	FOXOYRKKXALQHV-UHFFFAOYSA-N	502.662	3.027	0	20	KGAD	
CCCCn1c(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514297740	RSEJCIHASZWFDM-UHFFFAOYSA-N	524.690	3.433	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c(O)nc1=O	514388608	QUZHXUUAOOYRFF-UHFFFAOYSA-N	551.644	3.025	0	20	KGAD	
CCCn1c(CCC(=O)NCCc2nc3ccccc3[nH]2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514390808	CNOMMEGQNULPFT-UHFFFAOYSA-N	508.648	3.399	0	20	KGAD	
COCCN(C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)c1c(O)nc(=O)n(CC(C)C)c1N	514392151	RIVYGWAZZGHEQV-UHFFFAOYSA-N	509.567	3.066	0	20	KGAD	
COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1	514291614	HLGPXPLBDBNUAD-AZGAKELHSA-N	501.587	3.327	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514300091	SKDCLMTVNLURQX-UHFFFAOYSA-N	549.719	3.265	0	20	KGAD	
O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514299546	IFJQNQQPRLKIJF-UHFFFAOYSA-N	571.725	3.396	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c1	514378984	KIEGSOSUIHKXBF-UHFFFAOYSA-N	553.703	3.086	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)c1	514381939	BNIWMEGHZAWPQZ-UHFFFAOYSA-N	509.650	3.135	0	20	KGAD	
CCCCCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1	514385775	UJZULAGJXPIZGZ-UHFFFAOYSA-N	521.709	3.480	0	20	KGAD	
CCOC(=O)Cc1csc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1	514394203	JBOIDUDWDLUWDA-LLVKDONJSA-N	522.468	3.112	0	20	KGAD	
Cc1occc1-c1nnc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1	514300644	QKGMAIVLWOYLLV-PMACEKPBSA-N	516.645	3.123	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2C)c1	514376813	SBTHOLWQELRXIU-UHFFFAOYSA-N	566.746	3.145	0	20	KGAD	
CCOc1cc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NC(C)(C)C)c2=O)cc(Br)c1OC	514382018	YQZTUPYWRASIKK-UHFFFAOYSA-N	553.519	3.219	0	20	KGAD	
CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1	514403369	UFTVASFXUPMQQZ-NRFANRHFSA-N	522.465	3.173	0	20	KGAD	
O=C(CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)Nc1ccc2c(c1)OCCCO2	514405101	OWFFPUKJBYYCEQ-UHFFFAOYSA-N	500.404	3.100	0	20	KGAD	
Cc1c(NC(=O)CSc2ccccc2C(=O)N2CCC(C(=O)N(C)C)CC2)c(=O)n(-c2ccccc2)n1C	514294901	DEEZAPVHJTVEPA-UHFFFAOYSA-N	535.670	3.156	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccc(CN2CCCC2=O)cc1	514298878	ANJSDTIYJAWVFM-UHFFFAOYSA-N	526.659	3.073	0	20	KGAD	
O=c1cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCC2)occ1O	514300955	URNALHZDJVKKOA-UHFFFAOYSA-N	518.617	3.032	0	20	KGAD	
O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514376703	FMOQAZZNACEHOW-LJQANCHMSA-N	560.511	3.240	0	20	KGAD	
CCCCc1ccc(-n2nnnc2SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1	514383114	CLDQYOLTXIARTR-LJQANCHMSA-N	505.691	3.374	0	20	KGAD	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	514385492	JFCGRIXIULNIFB-JOCHJYFZSA-N	546.118	3.070	0	20	KGAD	
C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	514387634	GVKXSZRZZGLKHI-KRWDZBQOSA-N	565.121	3.186	0	20	KGAD	
CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)(c2ccccc2)CC1	514390628	RAVIHUSNDDTTRK-UHFFFAOYSA-N	549.715	3.192	0	20	KGAD	
CCCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)nc2cc(S(N)(=O)=O)ccc21	514395148	DGJSLCKHQWRMCC-HUUCEWRRSA-N	504.634	3.223	0	20	KGAD	
O=C(NCc1ccccc1)C1CCN(CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC1	514401029	JIACHBYIGKQWOQ-UHFFFAOYSA-N	519.509	3.183	0	20	KGAD	
CSc1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)c4nncn4c3)sc2C1	1819679712	FXWBRCVUCVLGSS-LBPRGKRZSA-N	500.009	3.496	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1	514293921	UWWIDDXPZMZWIK-SFHVURJKSA-N	562.693	3.089	0	20	KGAD	
CCN(c1ccc(C(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)cc1)S(C)(=O)=O	514391571	LQOAILZRGSIPPQ-UHFFFAOYSA-N	500.646	3.223	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1	514296918	SMYOKEHTVGXWQI-OAQYLSRUSA-N	514.600	3.009	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cc(OC)c(OC)cc1Br	514299985	JVCIKAXWDMJKEO-UHFFFAOYSA-N	549.465	3.450	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)c(O)nc1=O	514378453	FUYJGOBSUHNYNE-UHFFFAOYSA-N	599.714	3.007	0	20	KGAD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C	514378879	YRJHPDKIUOKKNP-UHFFFAOYSA-N	538.718	3.379	0	20	KGAD	
CCCCn1c(CCC(=O)N[C@H](Cc2ccccc2)C(=O)OC)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514381108	XTAPKJNZVCDDCC-XMMPIXPASA-N	540.686	3.454	0	20	KGAD	
CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	514381389	CUQSVNDBIWQINE-MHLWUJJFSA-N	500.665	3.453	0	20	KGAD	
CC(C)CCn1c(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3	514389011	XHYOMGRVQVDBBC-XHSDSOJGSA-N	511.735	3.413	0	20	KGAD	
COCCn1c(N)c(C(=O)CSc2nnc(SCc3ccc(C(C)C)cc3)s2)c(O)nc1=O	514392459	XIRFUZSCFLGTTF-UHFFFAOYSA-N	507.663	3.420	0	20	KGAD	
CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(Cc2ccccc2)CC1	514400924	FGTGCTBPFTZVGP-QFIPXVFZSA-N	521.477	3.464	0	20	KGAD	
CCCCn1c(SCC(=O)NCC(=O)Nc2cc(C)ccc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21	514404632	KMOAJZDJNDGSFT-UHFFFAOYSA-N	547.703	3.251	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nc4cc(Br)cnc4[nH]3)cc2)C[C@@H](C)O1	514293273	TWQPXMVDJKDTAW-BETUJISGSA-N	540.465	3.249	0	20	KGAD	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	514295588	COCSYSWVXLWIJV-UHFFFAOYSA-N	502.014	3.282	0	20	KGAD	
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc3ncccn3)cc1)C2=O	514302665	OSBIXIMUEQQCDK-UHFFFAOYSA-N	528.635	3.133	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)CC2)cc1	514304012	RTHUKFAEGYOBKF-XMMPIXPASA-N	543.686	3.359	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)sc(C(=O)N(C)C)c1C	514376383	JVZADGWKDBTGGN-UHFFFAOYSA-N	554.672	3.057	0	20	KGAD	
CCn1c(CSc2nnc(N3CCOCC3)n2-c2cccc(C)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514384828	ZCNIBPJFSFTXFQ-UHFFFAOYSA-N	583.740	3.095	0	20	KGAD	
CNS(=O)(=O)c1cc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)ccc1C	514385489	IZKDBMVRUYSHDB-MRXNPFEDSA-N	507.663	3.133	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(N3CCCS3(=O)=O)cc1)n2CC	514393358	XTZBQKBQGICKGS-UHFFFAOYSA-N	547.703	3.198	0	20	KGAD	
COc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)n2C[C@@H]2CCCO2)cc1	514403954	UXFOBYJPHBEDIT-NQIIRXRSSA-N	525.631	3.191	0	20	KGAD	
COc1ccc([C@H](C)NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)cc1Br	514404640	LDQWFTGQCFOFMQ-INIZCTEOSA-N	565.490	3.175	0	20	KGAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3sc4c(c3c(=O)n2C)CCC4)cc1	514292036	KBKNTLRJIITCJJ-CYBMUJFWSA-N	506.675	3.290	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(OC(F)F)c(OC)c3)CC2)c(C(=O)OC)c1C	514293193	SCBPVHYSGQQJBX-UHFFFAOYSA-N	604.650	3.299	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(O)nc1=O	514296129	MGYNCAJTYQRQDG-UHFFFAOYSA-N	546.978	3.294	0	20	KGAD	
COc1ccccc1[C@H](CNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)N1CCCC1	514377776	IQRAKLRDBUBBAE-REHUZNOOSA-N	501.649	3.060	0	20	KGAD	
O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514392509	WZVLCSFXCDHGGN-UHFFFAOYSA-N	592.431	3.199	0	20	KGAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1	514394328	UEGYRWYKMRBPDT-HHHXNRCGSA-N	584.764	3.447	0	20	KGAD	
CCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)cc1S(=O)(=O)N1CCCCC1	514405526	XGSVGFNYPNCORN-UHFFFAOYSA-N	516.649	3.181	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n1CCN1CCOCC1)N(C)C	514374477	CIRWTIRKUXYXOJ-SFHVURJKSA-N	550.751	3.081	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)CC1	514388034	SZRKSIOJMWMNSS-UHFFFAOYSA-N	529.066	3.475	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	514292501	MZTCSQDBVYHDOT-OAQYLSRUSA-N	505.710	3.017	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1)n2CC(C)C	514295705	GGKLDLOCKWFTNS-UHFFFAOYSA-N	553.664	3.133	0	20	KGAD	
CCn1c(CCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514296156	KDHXHZZOVXDRAN-UHFFFAOYSA-N	615.078	3.426	0	20	KGAD	
O=C(CN1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1)Nc1ccc(F)cc1	514382142	HXKYAVBJKJVQJY-QHCPKHFHSA-N	556.639	3.277	0	20	KGAD	
CCOc1cc(N[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(OCC)cc1NC(=O)c1ccccc1	514390895	AVXSCIKFTXATPT-HKUYNNGSSA-N	503.621	3.182	0	20	KGAD	
Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)Nc1cc(Br)ccc1Br	514402803	DXTUYDDPDXOYIN-UHFFFAOYSA-N	500.191	3.424	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)cc1S(=O)(=O)N1CCCCCC1	514405032	QQKDHKPXKUUUNI-UHFFFAOYSA-N	500.650	3.481	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1	514294372	XTVFGJYYOHOLQQ-WXTAPIANSA-N	528.631	3.350	0	20	KGAD	
CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(CCCOC)c1c(O)nc(=O)n(CC(C)C)c1N	514296946	TVZUOHXPWKEEKS-UHFFFAOYSA-N	577.638	3.065	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1	514300378	MWKUQXUAPQIIKE-KRWDZBQOSA-N	521.661	3.223	0	20	KGAD	
CCCOc1ccc(CN(CCC)C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1OC	514377096	LLSRQTVMLFQQGL-UHFFFAOYSA-N	531.675	3.389	0	20	KGAD	
CCCCn1c(SCc2nc3c(c(O)nc(=O)n3CCCC)n2C)nc2cc(S(=O)(=O)N(C)C)ccc21	514386272	IWGWSOVKHCYLFW-UHFFFAOYSA-N	547.707	3.328	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)c(OC)c1OC	514387422	GFISRRWTKAPEOT-UHFFFAOYSA-N	531.675	3.153	0	20	KGAD	
O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	514402306	NXIPTSPERQMOEB-QFIPXVFZSA-N	525.593	3.296	0	20	KGAD	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nnc(C[C@H]3CCS(=O)(=O)C3)n1C)CC2	514403039	PQSHAANVSZSRSS-DWXRJYCRSA-N	556.710	3.076	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CN(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1	514387926	NWILFANPGVQDCA-UHFFFAOYSA-N	509.607	3.360	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(NC(=O)NC[C@H]4CCCO4)cc3)CC2=O)cc1	514393911	AXNXANRLWRTYQZ-AUSIDOKSSA-N	557.673	3.009	0	20	KGAD	
CCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514296021	NOUGATAYPFWCKK-RTBURBONSA-N	563.721	3.309	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c(C(=O)OC)c1C	514297871	VXBRZVDNYXBTRD-FCHUYYIVSA-N	641.834	3.382	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1	514299530	HILXWYUVEWPNLI-NHCUHLMSSA-N	526.703	3.367	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@@H]3CCCO3)CC2)cc1	514304010	RTHUKFAEGYOBKF-DEOSSOPVSA-N	543.686	3.359	0	20	KGAD	
CCn1c(CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514404275	AREPODFRQJSXSH-UHFFFAOYSA-N	615.757	3.099	0	20	KGAD	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)CC2)c(C)c1	514295192	CLQAWFIPQSBVRK-UHFFFAOYSA-N	570.133	3.326	0	20	KGAD	
CCOc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)cc1S(=O)(=O)N1CCCC1	514296259	NPVRKQBGCXHNJJ-UHFFFAOYSA-N	591.756	3.358	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(C)nc3sc(C)c(C)c23)c(O)nc1=O	514378431	FLWYNEQVSRZCLH-UHFFFAOYSA-N	506.654	3.033	0	20	KGAD	
CC(C)c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)n1Cc1ccco1	514390929	CBQKOEVUUHWZNY-UHFFFAOYSA-N	506.654	3.090	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)c(C(=O)OC)c1C	514296725	UHZKSTKRVFZMCG-UHFFFAOYSA-N	575.061	3.340	0	20	KGAD	
CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	514298562	ANPGMMITEROAFM-DHUDBDOYSA-N	521.655	3.142	0	20	KGAD	
COCCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514300606	PBRUTKFPLHAIDZ-UHFFFAOYSA-N	563.684	3.097	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514376137	CPNOVPTWNFMZNW-UHFFFAOYSA-N	590.768	3.433	0	20	KGAD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1	514388517	ZPMSHBJQARYCBS-DZFGPLHGSA-N	513.616	3.413	0	20	KGAD	
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1	514394615	PILDVTDCEWUKTH-OALUTQOASA-N	545.658	3.237	0	20	KGAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CSCC(=O)N(C)C2CCCCC2)CC1	514296497	MNIPVAQQZLAUBQ-UHFFFAOYSA-N	565.806	3.076	0	20	KGAD	
Cc1ccn2c(CN3CCN(C(=O)CCc4ccc(S(=O)(=O)N5CCCCC5)cc4)CC3)c(C)nc2c1	514299713	PBUQDAXCPIMCMK-UHFFFAOYSA-N	523.703	3.403	0	20	KGAD	
C[C@H](On1nnc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc21)C(=O)Nc1ccccc1OC(F)F	514386954	AOEPJWIGLADOAP-OAGGEKHMSA-N	523.562	3.155	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514393280	VFHOULJVLUVZKV-UWJYYQICSA-N	521.661	3.344	0	20	KGAD	
CC(=O)N1CCC[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2cccc(Br)c2)C1	514404324	BVUIZESLQHULRQ-GOSISDBHSA-N	566.474	3.459	0	20	KGAD	
O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c(Cl)ccnc3c1)CC2	1826670949	ITNNUFJPUZYIAR-LBPRGKRZSA-N	500.009	3.481	0	20	KGAD	
CCCOc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1	514294755	BQALHQLBPCHAPX-UHFFFAOYSA-N	532.537	3.455	0	20	KGAD	
C[C@H]1CCCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc3c(c2)OCO3)C1	514376009	ZEERQFPUWCSPTR-FQEVSTJZSA-N	599.735	3.094	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1	514383068	BZLDDMAZFDCKAR-ZEQRLZLVSA-N	546.784	3.406	0	20	KGAD	
CCCn1c(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514294894	CYWVBNWFRXSWTC-UHFFFAOYSA-N	549.719	3.298	0	20	KGAD	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1	514298040	ZQEYGUPQGFPNAX-UHFFFAOYSA-N	516.620	3.354	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c(O)nc1=O	514377966	ALCDMYPMAIYNIT-UHFFFAOYSA-N	542.662	3.388	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1	514384062	KDYBIXMDZORUKF-UHFFFAOYSA-N	511.666	3.235	0	20	KGAD	
COC(=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Br)cc1	514389400	FVGSKNWBAUZVIV-FQEVSTJZSA-N	567.458	3.042	0	20	KGAD	
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1S(=O)(=O)N(C)C	514385196	CAXHDIRDMMLJMK-UHFFFAOYSA-N	537.704	3.300	0	20	KGAD	
CCCCN(C(=O)CN(Cc1ccc(OC)cc1)C1CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514386876	GZXTZBYCSAGALH-UHFFFAOYSA-N	505.619	3.386	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1	514298892	AQKZCHAQMLKGED-UHFFFAOYSA-N	504.634	3.015	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)n1CCN1CCOCC1)N(C)C	514376007	ZCHAJAFUVAFUNW-XMMPIXPASA-N	607.847	3.307	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N2CCc3sccc3[C@@H]2CC)n1CCN1CCOCC1)N(C)C	514391420	ITFPTHZTBQKWEH-PMACEKPBSA-N	506.742	3.313	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nnc1-c1ccco1	514375278	MQGPEZCDJVSCST-IYBDPMFKSA-N	505.622	3.087	0	20	KGAD	
COC(=O)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)c1ccc(Br)cc1	514389552	JHKVZYJCODOYSJ-SFHVURJKSA-N	525.421	3.276	0	20	KGAD	
CC(C)Cn1c(SCC(=O)Nc2cccc(I)c2)nnc1N1CCOCC1	514403518	LSTXEAUFPDQKEF-UHFFFAOYSA-N	501.394	3.106	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)CC2)cc1C	514380255	KNJJKOIKKLXKEH-UHFFFAOYSA-N	604.795	3.354	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	514381604	KUXNHHBDIQZCAO-UHFFFAOYSA-N	586.563	3.416	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)CSCCOc2ccc(S(=O)(=O)N(C)C)cc2)ccc1C	514390955	DGWPUIVWDBOKCA-UHFFFAOYSA-N	543.733	3.027	0	20	KGAD	
COc1cc(OC)cc([C@@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c2nccn2C)c1	514394953	XPULAZIIEWZLEU-RUZDIDTESA-N	512.632	3.060	0	20	KGAD	
O=C(CSc1nc[nH]n1)N[C@H]1CCc2nc(NC(=O)c3cnc4ccc(Cl)cc4c3)sc2C1	1823993028	DZFLSLBUYGBKGQ-AWEZNQCLSA-N	500.009	3.481	0	20	KGAD	
CCn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291591	GLKCEHDLYWZUND-UHFFFAOYSA-N	683.809	3.462	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1	514292205	IHYFQIZINDJGAK-CALCHBBNSA-N	538.464	3.266	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C	514302217	MUUDFTRVDJLBQX-UHFFFAOYSA-N	539.580	3.262	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N(C)Cc1ccc(OC)cc1OC)c1c(O)nc(=O)n(CCCC)c1N	514377374	SQMKWLYOBJCSEV-UHFFFAOYSA-N	531.654	3.310	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)c(O)nc1=O	514390203	BFVUOSWTPMAHRA-PMERELPUSA-N	645.805	3.302	0	20	KGAD	
CS(=O)(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1	514295968	DCKZWAKLNLXMTA-UHFFFAOYSA-N	501.026	3.326	0	20	KGAD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cc(F)c(F)c(F)c2F)CC1	514297569	VGILXNLKNYUROM-UHFFFAOYSA-N	514.545	3.422	0	20	KGAD	
CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C	514374512	DRGYPBVHGJPFJE-UHFFFAOYSA-N	516.649	3.275	0	20	KGAD	
CC(C)[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1)C(=O)NC(N)=O	514374626	DJCJMSIUQMZRQZ-NRFANRHFSA-N	564.734	3.173	0	20	KGAD	
O=C(CN1CCN(C[C@H](O)COCc2ccccc2Cl)CC1)Nc1ccc(OC(F)(F)F)cc1	514384162	NHEXMPLUEUJMJT-IBGZPJMESA-N	501.933	3.372	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1	514387619	KYARVOWCIUKRTH-UHFFFAOYSA-N	522.693	3.356	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)[C@H]1CCS(=O)(=O)C1	514395189	FFKDCBGOHRDMJM-QUCCMNQESA-N	543.715	3.167	0	20	KGAD	
O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	514296539	NAJDUHHABRNEIW-UHFFFAOYSA-N	545.459	3.032	0	20	KGAD	
COc1ccccc1-n1c(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)nnc1N1CCCCC1	514302136	BSOWBFQQFKBNEY-UHFFFAOYSA-N	526.688	3.404	0	20	KGAD	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1S(=O)(=O)N(CC)CC	514391703	NCROAMRDIQLZNN-INIZCTEOSA-N	509.650	3.214	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n([C@@H]4CCS(=O)(=O)C4)c3C)nnc12	514291891	JWQDRYWKYHWOPE-LJQANCHMSA-N	557.698	3.224	0	20	KGAD	
COc1ccc(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1	514293194	SDCCSEOORITFLB-IBGZPJMESA-N	501.630	3.232	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514295833	HWKCRIVZZRQYBH-UHFFFAOYSA-N	612.721	3.015	0	20	KGAD	
O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=O)N1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2	514299814	JCZJRFJTXJDFGI-FCCHGPORSA-N	507.587	3.271	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC)n2C	514377087	LBMSIOBQGHXCKU-UHFFFAOYSA-N	550.081	3.296	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514377427	UZIYVDAXMHCWHR-UHFFFAOYSA-N	559.657	3.433	0	20	KGAD	
O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	514379813	VGZGVPIJFKMMQN-UHFFFAOYSA-N	631.604	3.151	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cc1C	514384875	VEJLUHMEPZZKRJ-UHFFFAOYSA-N	510.582	3.467	0	20	KGAD	
COC(=O)c1csc(S(=O)(=O)N2CCN([C@@H](C)c3nc(O)c4c5c(sc4n3)C[C@H](C)CC5)CC2)c1	514387310	GKRKXJKDLNYAOM-KGLIPLIRSA-N	536.701	3.437	0	20	KGAD	
CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[C@@H]1c1ccccc1OC	514401157	NWKIZUVLUQRWPV-CUNXSJBXSA-N	559.685	3.443	0	20	KGAD	
COc1ccc(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1S(=O)(=O)N1CCOCC1	514299711	PBTUHMJJIGSYMX-IWJYVYHMSA-N	533.691	3.012	0	20	KGAD	
COc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1OC	514301860	FGPPZECJUBRZJN-UHFFFAOYSA-N	503.621	3.276	0	20	KGAD	
COC(=O)CCCCCn1c(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O	514302171	CRGCPEQJMYDUNU-IBGZPJMESA-N	540.642	3.188	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N[C@@H](C)c2ccc(Br)cc2)n1CCN1CCOCC1)N(C)C	514375135	LQDVDJWUOJHBDL-PXNSSMCTSA-N	539.544	3.355	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(S(C)(=O)=O)ccc1C)n2CC	514384649	SHNOYXRWGLBNRZ-UHFFFAOYSA-N	520.677	3.370	0	20	KGAD	
COC(=O)c1cc(Br)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	514402852	GDOIZLRVDQXOQT-UHFFFAOYSA-N	541.420	3.292	0	20	KGAD	
COc1cccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)N2CCCC2)c1	514297528	XVCZATOSBCWQRC-OHUGHZGNSA-N	501.649	3.060	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1	514380174	XYSOYSGIOPWAJB-QGZVFWFLSA-N	543.658	3.273	0	20	KGAD	
COc1ccc(-n2ccnc2SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)cc1	514386168	GNPGONKLENJBEL-UHFFFAOYSA-N	500.625	3.163	0	20	KGAD	
C[C@@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1-c1ccc(Cl)cc1)N(C)C	514386184	GVQHJTXPGDQBKE-KRWDZBQOSA-N	567.112	3.308	0	20	KGAD	
CCCCN(C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514292542	NNFIUIDWKVNGIL-UHFFFAOYSA-N	614.725	3.183	0	20	KGAD	
CCCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1)c1c(O)nc(=O)n(CCCC)c1N	514378637	GLOCFIXFQIPHDK-UHFFFAOYSA-N	549.694	3.398	0	20	KGAD	
CCOc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1S(=O)(=O)N(CC)CC	514385698	RLTDPRXWKOXSHH-UHFFFAOYSA-N	504.634	3.015	0	20	KGAD	
CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	514386552	SHKJKENSNXKIJR-UHFFFAOYSA-N	526.109	3.229	0	20	KGAD	
C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	514387421	GEQYLPXHGOBGKG-OAHLLOKOSA-N	547.124	3.279	0	20	KGAD	
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(NCCc2cccs2)s1	514391437	JLRWJQDUDNDCPS-UHFFFAOYSA-N	526.735	3.301	0	20	KGAD	
COC(=O)CCNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1	514394437	NLNHWTHORAAERB-UHFFFAOYSA-N	515.632	3.142	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c(O)nc1=O	514395240	GEWPNKIIGGTUDD-CQSZACIVSA-N	533.680	3.146	0	20	KGAD	
CCOCCCn1c(SCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)nc2cc(Cl)ccc2c1=O	514403251	KOFVSVAXLYRNCH-UHFFFAOYSA-N	559.088	3.357	0	20	KGAD	
C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	514293328	UEFHHDFHQIGLMP-GOSISDBHSA-N	514.677	3.079	0	20	KGAD	
COc1ccc(-n2c(SCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2OC)cc1	514384401	PFFUEWIINJKSIJ-UNMCSNQZSA-N	572.709	3.238	0	20	KGAD	
CCNC(=O)c1cccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)c1	514387482	NOVXMPNGKRQQAB-UHFFFAOYSA-N	502.637	3.449	0	20	KGAD	
NC(=O)CCc1nnc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n1C[C@@H]1CCCO1	514394936	XASVUUQYWKFAJD-NRFANRHFSA-N	503.644	3.468	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1)c1c(O)nc(=O)n(CCC)c1N	514376402	LBDHENHMAQXCBO-UHFFFAOYSA-N	523.015	3.482	0	20	KGAD	
COc1ccc(NC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1S(=O)(=O)N1CCOCC1	514377608	BSKNCJRTGFNSGZ-HNNXBMFYSA-N	552.700	3.304	0	20	KGAD	
O=C(CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1)Nc1ccccc1C(F)(F)F	514382834	WQBZQMISUJITQB-UHFFFAOYSA-N	556.582	3.028	0	20	KGAD	
CCCCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)nnc1[C@@H](CC)N(C)C	514383749	JHQZIMXZEJYSIZ-LJQANCHMSA-N	527.695	3.040	0	20	KGAD	
CCn1c(SCC(=O)N[C@H]2CCOc3ccccc32)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514303622	XKSUYAJXFGLRAL-NRFANRHFSA-N	527.672	3.482	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	514378667	UVYSVNZJEWCVCL-RDPSFJRHSA-N	603.616	3.317	0	20	KGAD	
CCOc1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C(C)C)cc1OCC	514390130	YUUHTFHWOQTFQG-SANMLTNESA-N	531.675	3.464	0	20	KGAD	
CCCn1c(CSCC(=O)Nc2ccccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514401151	NUHLIRBUMARHDP-UHFFFAOYSA-N	506.625	3.478	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC)cc1)N(C)C	514291470	FLNQZMHQMDLZRG-QHCPKHFHSA-N	574.729	3.040	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1OCC(F)(F)F)n2CC(C)C	514297618	YAXNSDBQPXIWAI-UHFFFAOYSA-N	658.700	3.288	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)NC3CCCCC3)n2[C@H](C)COC)c1	514374534	TZYDUDQIPLRZJD-GOSISDBHSA-N	566.750	3.434	0	20	KGAD	
CNC(=O)c1ccc(CN(C)Cc2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2CCC(C)C)cc1	514388043	TYIMPJMUJDUROB-UHFFFAOYSA-N	502.619	3.385	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c1	514377460	WILNTJIFEKUTIV-UHFFFAOYSA-N	539.676	3.208	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c(O)nc1=O	514379275	SBLQFFWSIQCRJR-GOSISDBHSA-N	545.641	3.053	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379509	WGFCTRGXFQZSGU-UHFFFAOYSA-N	603.767	3.213	0	20	KGAD	
C[C@H]1CCCN(Cc2csc(NC(=O)CCn3c(=O)oc4cc(S(=O)(=O)N5CCCC5)ccc43)n2)C1	514391653	MSOGBEAIUQTQDL-KRWDZBQOSA-N	533.676	3.096	0	20	KGAD	
C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F)C(=O)N[C@@H]1CCS(=O)(=O)C1	514402093	FHRSOPFBVKPPRX-HZPDHXFCSA-N	531.626	3.056	0	20	KGAD	
Cc1ccc(C2=NN(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)[C@@H](c3ccco3)C2)cc1	514405020	QKILJIWINGXPDX-FXAWDEMLSA-N	513.645	3.164	0	20	KGAD	
Nc1c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)Cc2cccnc2Cl)CC3)sc2nccnc12	1815250689	PYOIYUPSZIINIZ-LLVKDONJSA-N	500.009	3.247	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)c1	514291011	AXCXEBXPCHDZDS-HXUWFJFHSA-N	519.645	3.082	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)NCC(=O)Nc1c(C)cccc1C)c1c(O)nc(=O)n(CCCC)c1N	514376451	AGIZPRMHTWZGLV-UHFFFAOYSA-N	528.654	3.006	0	20	KGAD	
COC(=O)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)nc2c1	514377005	WIYQUZZEPZWJHO-UHFFFAOYSA-N	610.693	3.106	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(n4c(O)nc5ccccc54)CC3)CC2)cc1	514388214	QZHQACATAIVPCG-UHFFFAOYSA-N	540.642	3.183	0	20	KGAD	
O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCC1(N2CCCCC2)CCCCC1	514389822	NSIWCZWVGOEQLB-UHFFFAOYSA-N	518.680	3.074	0	20	KGAD	
COCCCn1c(SCC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)nnc1-c1ccc(OC)c(OC)c1	514391147	HRENGZRZSLMOHF-NRFANRHFSA-N	540.642	3.217	0	20	KGAD	
COc1ccc(CN2CCCN(C(=O)CSc3nnc([C@@H]4COc5ccccc5O4)n3C)CC2)cc1	514395227	FXTOEFWVFQMTPU-QHCPKHFHSA-N	509.632	3.163	0	20	KGAD	
O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)nc3ccccc13)CC2	1826666701	FLHARFPAJULUGU-LLVKDONJSA-N	500.009	3.481	0	20	KGAD	
CC(C)CN(C(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1)c1c(O)nc(=O)n(CC(C)C)c1N	514291630	HSYOIKZEFZIFNA-UHFFFAOYSA-N	536.058	3.319	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)n1-c1ccc(OC)cc1)N(C)C	514292032	JZFDZDUOFNUXDM-CTNGQTDRSA-N	523.725	3.052	0	20	KGAD	
O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	514296493	RFLLUIMERIIXPU-HXUWFJFHSA-N	509.422	3.154	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)n2C[C@H]2CCCO2)cc1	514299834	JOMZTWFBPVGRLM-LJQANCHMSA-N	531.660	3.128	0	20	KGAD	
COc1ccc([C@H](CNC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)c2c[nH]c3ccccc23)cc1	514303762	YXNMIUALCPWHEI-AVRDEDQJSA-N	553.710	3.323	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC2)c(C(=O)OC)c1C	514377904	ODJWVTOEKJPEOU-GOSISDBHSA-N	583.754	3.045	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1	514378641	GMTBEKFMJGQKON-UHFFFAOYSA-N	509.650	3.151	0	20	KGAD	
CC(C)OCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cc(F)ccc1F	514391942	QMOIABIIGJVOLK-UHFFFAOYSA-N	533.619	3.014	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	514292738	PXALNSJIERBMSP-UHFFFAOYSA-N	534.704	3.354	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1	514298834	HVWRGKPXRRTVEE-UHFFFAOYSA-N	576.524	3.130	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299890	JUBLJASWWAHQMO-UXHICEINSA-N	548.086	3.326	0	20	KGAD	
CCCn1c(CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)nc2cc(S(=O)(=O)N(C)C)ccc21	514401544	YOKUTTUPGJWQPN-UHFFFAOYSA-N	507.682	3.176	0	20	KGAD	
COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(S[C@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)C(C)C)nnc12	514403159	WDCLQIPJDOIIGU-WXVAWEFUSA-N	569.709	3.161	0	20	KGAD	
CC(C)CN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514375897	ZKIVBVHTGJFDPG-UHFFFAOYSA-N	511.652	3.427	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCCC3)CC2)cc1C	514376288	GLMMVOCNEFVIBV-UHFFFAOYSA-N	604.795	3.354	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1c(O)nc(=O)n(CCCC)c1N	514378449	FRJWGHDODUZMAN-SFTDATJTSA-N	620.773	3.071	0	20	KGAD	
Cn1c(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514379014	LCUUTEQAEZNCSJ-UHFFFAOYSA-N	559.714	3.104	0	20	KGAD	
CC(C)c1ccc(-n2nnnc2SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1	514383268	FSISUBVWVVEJDY-UHFFFAOYSA-N	537.067	3.191	0	20	KGAD	
CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387970	KSHURIGZBKWXQH-AWEZNQCLSA-N	510.588	3.475	0	20	KGAD	
CCN(Cc1nc(O)c2ccccc2n1)C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C	514295558	KQNMEHQHBCTGRE-UHFFFAOYSA-N	524.647	3.234	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)CSc4ncnc5ccccc45)CC3)cc2)C[C@@H](C)O1	514295711	JRVRSWPYTBZGPM-WOJBJXKFSA-N	583.736	3.397	0	20	KGAD	
CCn1c(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1OC	514384637	RWQHFPMFGXPGPF-MRXNPFEDSA-N	506.675	3.343	0	20	KGAD	
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1C	514291673	IMAVAKXUJNLUSU-VXKWHMMOSA-N	519.598	3.338	0	20	KGAD	
CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3ccccc3S(=O)(=O)N(C)C3CCCCC3)c(=O)c12	514303842	OYPTZCQRBSLUGD-UHFFFAOYSA-N	530.603	3.067	0	20	KGAD	
CCN(C(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	514374915	IEMWFOHCWLMZCO-FQEVSTJZSA-N	500.646	3.282	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCNC(=O)c2ccc(Br)cc2)c1	514376412	LDMBGYMGKSCXCP-UHFFFAOYSA-N	567.506	3.075	0	20	KGAD	
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1	514377814	KPEZRKNWKRZFIY-OAHLLOKOSA-N	564.513	3.346	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)n2[C@H](C)COC)c1	514382331	JPGSZMKUCVRFIK-GOSISDBHSA-N	624.811	3.178	0	20	KGAD	
CCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCC1	514382382	MAJSYIVOVVPPEG-GOSISDBHSA-N	509.650	3.343	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514389033	XQQDFFGYKMRGGJ-CHWSQXEVSA-N	506.675	3.369	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)n2CC	514395014	AQNNEARLVDTMMG-IRXDYDNUSA-N	567.759	3.092	0	20	KGAD	
COc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	514403362	YRQPFHURMLZYEN-RTBURBONSA-N	517.623	3.099	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3c(Cl)cccn13)CC2	1815627896	PWFYCGVXZUVQIH-LBPRGKRZSA-N	500.009	3.252	0	20	KGAD	
CN(c1ccc(OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1)S(=O)(=O)c1cccs1	514291155	CWHYLZSDYOZXIG-UHFFFAOYSA-N	507.678	3.103	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2nc(CC(=O)OC)cs2)n1-c1ccc(OC)cc1)N(C)C	514292944	NZBXZLDZTSDROL-QGZVFWFLSA-N	504.638	3.191	0	20	KGAD	
CCCn1c(CCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514294846	BWFYZZCZCNODOX-UHFFFAOYSA-N	591.756	3.069	0	20	KGAD	
CCn1c(CCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514299951	LXFYQBIRVCUUOX-UHFFFAOYSA-N	542.687	3.324	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)c1	514379677	CWNHKDGYEYMCOM-UHFFFAOYSA-N	513.638	3.272	0	20	KGAD	
Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1	514386077	CBRSBEOMQCTLOU-INIZCTEOSA-N	504.638	3.381	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1CCN1CCOCC1)N(C)C	514292498	LGLQKBAZVSQGGT-HXUWFJFHSA-N	530.695	3.395	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1	514377521	YUVKVKWBTKZKFL-UHFFFAOYSA-N	517.677	3.344	0	20	KGAD	
CCOCCCn1c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nc2cc(Cl)ccc2c1=O	514386063	BNAZPOSHDVSFGW-LJQANCHMSA-N	511.088	3.042	0	20	KGAD	
C[C@H]1Cc2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCCCC3)ccc2N1S(C)(=O)=O	514301624	BAEFIEKZJGGGAK-FQEVSTJZSA-N	576.741	3.051	0	20	KGAD	
CCOC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1	514374397	BLJWUCHVCZZPPL-SFHVURJKSA-N	516.645	3.231	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)NC3CCCCC3)n2[C@@H](C)COC)c1	514374535	TZYDUDQIPLRZJD-SFHVURJKSA-N	566.750	3.434	0	20	KGAD	
CC(C)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c2ccccc2n1	514382719	BGESYTWGKUPETC-UHFFFAOYSA-N	524.643	3.468	0	20	KGAD	
COCCCN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1c(O)nc(=O)n(CC(C)C)c1N	514405811	ZRUCWCSZZLMUTP-UHFFFAOYSA-N	557.673	3.004	0	20	KGAD	
O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)nc3sccn23)[C@@H]1c1cccnc1)c1ccc(Cl)s1	1805527332	REXCNQMKXJYWBA-IFXJQAMLSA-N	500.005	3.499	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1	514296530	MVDQFUNMQRRNGH-UHFFFAOYSA-N	663.012	3.198	0	20	KGAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)COC)c1c(O)nc(=O)n(CC(C)C)c1N	514375194	LSILDVNSWRETAZ-QGZVFWFLSA-N	544.678	3.030	0	20	KGAD	
Cc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)n2)s1	514385071	ZDZKKUWCTMNLDY-UHFFFAOYSA-N	534.685	3.290	0	20	KGAD	
COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1S(=O)(=O)N(C)C	514385237	DUHACQVJVKHRBH-INIZCTEOSA-N	537.689	3.175	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2nnc(NCCC)s2)c(O)nc1=O	514386713	ZJWIKVPMZJRAPY-UHFFFAOYSA-N	503.654	3.330	0	20	KGAD	
COc1ccc([C@@H](NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c2nccn2C)cc1	514390921	BNMPRISOTGYPRE-HXUWFJFHSA-N	514.512	3.007	0	20	KGAD	
O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1	514392752	ARWKRMLNXUSVCO-UHFFFAOYSA-N	545.530	3.369	0	20	KGAD	
COc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1S(=O)(=O)N(C)Cc1ccccc1	514394458	NUVHKBFIQHEAFR-WOJBJXKFSA-N	503.665	3.134	0	20	KGAD	
O=C(Cn1ccc2sccc2c1=O)N[C@@H]1CCc2nc(NC(=O)c3ccncc3Cl)sc2C1	1820412763	ZNTVFHZHPPSRSY-GFCCVEGCSA-N	500.005	3.494	0	20	KGAD	
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	514294911	DDLJUWMGYRLALO-CPAHJZNRSA-N	565.648	3.408	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2cc(OC)c(OC)cc2OC)CC1	514299750	QKRJCRUCOYWYJA-UHFFFAOYSA-N	534.679	3.137	0	20	KGAD	
CCCn1c(N)c(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)c(O)nc1=O	514374355	AUBNPYTZCSXQRU-UHFFFAOYSA-N	549.604	3.084	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)ccc1C	514376219	DILLCVVYWAVFBS-UHFFFAOYSA-N	523.677	3.074	0	20	KGAD	
COc1ccc(NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)cc1S(=O)(=O)N1CCOCC1	514378100	RGYOOCUKUMQUBX-UHFFFAOYSA-N	564.711	3.177	0	20	KGAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(I)cc1C	514379680	WJOSUPSOSVWJFD-OAQYLSRUSA-N	617.531	3.111	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1	514389025	XPZUTPSJPINWGY-BEFAXECRSA-N	506.053	3.499	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N(C)CCOc1ccc(F)cc1)c1c(O)nc(=O)n(CCCC)c1N	514404102	YXKFNXYZEVGOLP-UHFFFAOYSA-N	519.618	3.311	0	20	KGAD	
COc1cccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)N2CCCC2)c1	514297606	XVCZATOSBCWQRC-RLSLOFABSA-N	501.649	3.060	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)CC2)c(OC)c1OC	514303532	WWNNWENADWNIDZ-SFTDATJTSA-N	545.702	3.337	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)c1	514376731	QIQLQLSCEYOYON-UHFFFAOYSA-N	626.805	3.466	0	20	KGAD	
CCN(CC)C(=O)c1cccc(NC(=O)CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)c1	514386320	KGLVVIWRFNPDIE-UHFFFAOYSA-N	512.611	3.456	0	20	KGAD	
CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(S(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)ccc21	514386861	GKJKEOXRQFNKEK-UHFFFAOYSA-N	585.548	3.193	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1	514388965	WOPLRRGFBLNJSX-SJLPKXTDSA-N	504.634	3.111	0	20	KGAD	
COc1ccc(CSc2nnc(SCC(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)s2)cc1	514391122	GKBYMFGXKREACH-OAHLLOKOSA-N	525.703	3.434	0	20	KGAD	
CCCCn1c(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514400969	HGBFUOJRHAWGPV-GOSISDBHSA-N	534.708	3.327	0	20	KGAD	
CCn1c(CSc2nc(O)nc(C)c2C(=O)OC)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	514401131	NBZLGEIABRDWCT-UHFFFAOYSA-N	505.622	3.114	0	20	KGAD	
COc1ccc(/C(O)=C(/C(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)[n+]2cccc(CO)c2)cc1	916203149	ZVUXOCGVRRCTQE-UHFFFAOYSA-O	500.622	3.049	0	20	KGAD	
O=C(CSc1ccncc1)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)nc4n[nH]cc34)sc2C1	1816063227	IHTOCYPPOSTRKU-LLVKDONJSA-N	500.009	3.481	0	20	KGAD	
CCCCN(C(=O)CSc1nc2sc(C)c(CC)c2c(=O)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514292554	LSCGSBOINAPCTR-ROUUACIJSA-N	541.761	3.416	0	20	KGAD	
CCCCCn1c(CCC(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)COC)cc2)nc2c1c(O)nc(=O)n2CCCC	514294266	YOQMOUHASPKAIP-IBGZPJMESA-N	576.720	3.173	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)c(C(=O)OC)c1C	514296070	OTANQSQXOVFAKD-UHFFFAOYSA-N	641.790	3.234	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnnn1-c1cccc(C)c1C	514384626	RFVHCKSKQNZKEM-UHFFFAOYSA-N	500.650	3.493	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1	514404947	OMADCVBYVXBQRW-UHFFFAOYSA-N	526.706	3.018	0	20	KGAD	
O=C(Cn1ccccc1=O)N[C@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1	1815842760	BSSOGVJOVKOUOJ-LBPRGKRZSA-N	500.005	3.494	0	20	KGAD	
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514303507	WRNFMRWCPBHBTG-FGZHOGPDSA-N	530.691	3.355	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1S(=O)(=O)N(C)C	514375570	RRSDMCGYWSHBHR-UHFFFAOYSA-N	514.677	3.153	0	20	KGAD	
COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)N2CCOCC2)cc1	514376992	JQSUSWSZIJNDJF-CPJSRVTESA-N	501.649	3.062	0	20	KGAD	
CCCn1c(CCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514378793	XKFYJCBJTROORQ-UHFFFAOYSA-N	591.737	3.052	0	20	KGAD	
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	514382796	VXOZBHHWMGDZMN-UHFFFAOYSA-N	530.043	3.303	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1CCCO)N1CCN(Cc2c(F)cccc2Cl)CC1	514386255	IKMXUGWPHXWSDO-UHFFFAOYSA-N	505.015	3.008	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(NC(=O)NC[C@@H]4CCCO4)cc3)CC2=O)cc1	514393912	AXNXANRLWRTYQZ-CVDCTZTESA-N	557.673	3.009	0	20	KGAD	
CCn1c(CSc2nnc(N3CCOCC3)n2-c2cccc(C)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514403618	WCGHQXKOIYIWNQ-UHFFFAOYSA-N	541.703	3.325	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccco1	514290822	AMKFKIQLWNWVHN-MRXNPFEDSA-N	505.622	3.007	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3nc(CC(=O)OC)cs3)n2[C@@H](C)COC)c1	514374219	NFVIHTIXNHGUKN-INIZCTEOSA-N	596.757	3.086	0	20	KGAD	
CN(C)C(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1	514394253	KUNMGSBTNGESPS-UHFFFAOYSA-N	500.440	3.252	0	20	KGAD	
CCn1c(CCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514402142	GJOXXSLPEKMFFP-UHFFFAOYSA-N	574.147	3.444	0	20	KGAD	
CCOc1ccc(CCNC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OCC	514291681	DOYCYKKBSDVSIM-UHFFFAOYSA-N	526.659	3.312	0	20	KGAD	
CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	514394796	STNGTZRNSHRMBT-PZJWPPBQSA-N	506.650	3.026	0	20	KGAD	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCc2ccc(Cl)cc2Cl)c1OC	514292154	MBDRLTSOWKAAIZ-UHFFFAOYSA-N	503.404	3.004	0	20	KGAD	
COCCN(C(=O)CCC(=O)Nc1ccc(Br)cc1Cl)c1c(O)nc(=O)n(CC(C)C)c1N	514295477	JTMBVBDIUZONJZ-UHFFFAOYSA-N	544.834	3.001	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514298949	BDNHBWSPPVTLMK-KUHUBIRLSA-N	509.650	3.069	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)c1	514300344	PFOACBWCGVYIBS-UHFFFAOYSA-N	534.660	3.433	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1	514376640	PDGQPBPWISBFMG-UHFFFAOYSA-N	541.095	3.227	0	20	KGAD	
CCOc1cccc2cc([C@@H](C)NC(=O)CSCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)oc12	514388050	UCZWPIQVYOQUAB-GOSISDBHSA-N	591.708	3.410	0	20	KGAD	
O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1	514295779	FJBZVDCYCZLWRT-UHFFFAOYSA-N	512.636	3.388	0	20	KGAD	
CCN(C(=O)CSc1nnc(Cc2cccs2)n1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1	514375320	NRHXMJUOBNFGNO-IBGZPJMESA-N	504.703	3.301	0	20	KGAD	
COc1ccccc1[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)N1CCCC1	514377775	IQRAKLRDBUBBAE-JXALWOEJSA-N	501.649	3.060	0	20	KGAD	
COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	514378968	KYCTZFXXTUOQFY-UHFFFAOYSA-N	505.662	3.214	0	20	KGAD	
COC(=O)c1ccc(-c2csc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)n2)cc1	514390375	IBAMWKQDFRKNLM-KRWDZBQOSA-N	504.590	3.241	0	20	KGAD	
COc1cccc(-n2c(S[C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)nc3sc4c(c3c2=O)CCC4)c1	514395242	GFZJDHBQRLMLCE-GJZGRUSLSA-N	512.657	3.149	0	20	KGAD	
COC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Br)cc1	514389401	FVGSKNWBAUZVIV-HXUWFJFHSA-N	567.458	3.042	0	20	KGAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N[C@@H](CC(=O)OC)c2ccc(OC)c(OC)c2)cc1	514389767	MCIYYWPHDZRISJ-FQEVSTJZSA-N	532.615	3.363	0	20	KGAD	
CC(C)CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc2c1=O	514299903	JZZPFHKDUQQSON-OALUTQOASA-N	542.123	3.383	0	20	KGAD	
Cc1cc(I)ccc1NC(=O)Cn1nc(C)c(S(=O)(=O)NC(C)(C)C)c1C	514376294	GPJPHOOEDIZEJV-UHFFFAOYSA-N	504.394	3.128	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)N2CCCCC2)cc1	514377429	VCCLNDMZBRDFIZ-AREMUKBSSA-N	515.676	3.448	0	20	KGAD	
CCn1c(SC[C@@H](O)COCc2ccc(Cl)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514386886	HMWUNQISCLNGRD-IBGZPJMESA-N	526.080	3.400	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2nnnn2C2CCCCC2)c(O)nc1=O	514389618	LJZULTOJKGCVIW-UHFFFAOYSA-N	512.640	3.148	0	20	KGAD	
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCN(S(=O)(=O)c4c(C)noc4C)CC3)cc2)c1	514390621	QUEGQWYFRINMOV-UHFFFAOYSA-N	546.671	3.246	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1ccc(S(=O)(=O)N(C)C(C)C)cc1	514393579	GJVVBOZODHTHKY-UHFFFAOYSA-N	522.693	3.249	0	20	KGAD	
CCCCCn1c(CCC(=O)Nc2nnc(SCC(=O)OCC)s2)nc2c1c(O)nc(=O)n2CCCC	514378105	RMOXSGCBTLOFJE-UHFFFAOYSA-N	551.695	3.367	0	20	KGAD	
Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)nc(O)c2c1C	514378630	GEPVASJTGMCODA-CQSZACIVSA-N	540.664	3.434	0	20	KGAD	
CC(C)CN(C(=O)CSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1	514402998	OIRHOXIRTDPXEK-QGZVFWFLSA-N	500.086	3.470	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	514294087	VNRVERXZVRRFDE-GOSISDBHSA-N	518.661	3.281	0	20	KGAD	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1	514295629	LPSPBGBGAUYOEX-RTBURBONSA-N	533.622	3.267	0	20	KGAD	
CC[C@H](c1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1-c1ccc(OC)cc1)N(C)C	514299430	FVKAPHAFRUBGEJ-HXUWFJFHSA-N	528.704	3.427	0	20	KGAD	
C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	514303188	VIRMNINQDSVDLR-DPDSROAVSA-N	524.691	3.438	0	20	KGAD	
O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1	514303950	RAYXDLDMRPHARP-OAQYLSRUSA-N	511.566	3.121	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)N2CCOCC2)cc1	514376990	JQSUSWSZIJNDJF-CJFMBICVSA-N	501.649	3.062	0	20	KGAD	
CCn1cc(C(=O)OC(C)C)c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc21	514382381	MAEFHMSVQDOBJA-UHFFFAOYSA-N	559.616	3.008	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1)c1c(O)nc(=O)n(CCCC)c1N	514394352	UXEZGVQAWGBGQL-KDURUIRLSA-N	577.752	3.339	0	20	KGAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)nc(=O)c2c1C	514403789	QISYETYOIDPKNV-IBGZPJMESA-N	544.699	3.110	0	20	KGAD	
Cc1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1S(=O)(=O)N1CCOCC1	514296534	MYHCZEKTVMBQEK-UHFFFAOYSA-N	532.972	3.046	0	20	KGAD	
CC(C)CCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514297743	ZTXGGHYWZVSDQL-UHFFFAOYSA-N	553.685	3.447	0	20	KGAD	
Cc1ccc(N(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1	514379980	GISXEJYIUVITIC-UHFFFAOYSA-N	628.773	3.077	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)c1	514392641	ZMKIABNQFVRFFA-UHFFFAOYSA-N	559.714	3.232	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(NCCc3cccs3)s2)cc1S(=O)(=O)N1CCOCC1	514403417	UZUHFPPAYBMSGK-UHFFFAOYSA-N	539.730	3.314	0	20	KGAD	
CCCn1c(CCC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)nc2cc(S(N)(=O)=O)ccc21	514404340	CNFAUKPMSNJZOC-UHFFFAOYSA-N	518.083	3.414	0	20	KGAD	
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1C	514291672	IMAVAKXUJNLUSU-FGZHOGPDSA-N	519.598	3.338	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C)c(F)c2)c(C(=O)OC)c1C	514296367	KFNWKWCFTKXOKI-HNNXBMFYSA-N	532.637	3.116	0	20	KGAD	
CC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1	514299725	PNVAUXRLOFNAFK-UHFFFAOYSA-N	518.032	3.205	0	20	KGAD	
O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1	514299967	JGIHZIMJCMQOFA-IBGZPJMESA-N	501.596	3.105	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1cccc(C(F)(F)F)c1	514300108	SWVWLJLBAUJITC-UHFFFAOYSA-N	547.577	3.045	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)NCCc3ccc(F)cc3)n2C)c1	514376470	MRHQIIWMDNQTQV-QGZVFWFLSA-N	519.668	3.491	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)[C@H]1CCS(=O)(=O)C1	514385612	OAVZKPLILWYDIZ-FQEVSTJZSA-N	575.778	3.334	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c(O)nc1=O	514390474	LBDVMPVFMOETFU-UHFFFAOYSA-N	538.630	3.198	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	514296984	VAVQZCISUIEKKD-UHFFFAOYSA-N	618.561	3.089	0	20	KGAD	
COc1cc(C(=O)NCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)ccc1OC(F)F	514380300	HRXTZYBJWPQSMK-UHFFFAOYSA-N	511.547	3.148	0	20	KGAD	
CC1(C)NC(=O)N(CCCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)C1=O	514383026	BFNHWNRTEIMJBD-UHFFFAOYSA-N	548.584	3.242	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1	514385833	WHQQUTKKDCEHBT-UHFFFAOYSA-N	502.058	3.192	0	20	KGAD	
CCc1ccc(OCc2nnc(SCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)n2CC(C)C)cc1	514389754	LUSCNCBULHZIGS-UHFFFAOYSA-N	529.688	3.404	0	20	KGAD	
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	514403398	URJLKPKCSYZGPL-UHFFFAOYSA-N	512.657	3.101	0	20	KGAD	
CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc2sc3c(c2c1=O)CCCC3	514291581	HDTKGEIULVDWSD-UHFFFAOYSA-N	506.675	3.338	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)c2)c(O)nc1=O	514378024	CLFFKMBMVZNNPW-UHFFFAOYSA-N	637.763	3.257	0	20	KGAD	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC2)cc1	514379974	GIBXRJUEBFKICP-UHFFFAOYSA-N	555.669	3.022	0	20	KGAD	
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1	514380834	VJQAXLVBGKNCIP-IBGZPJMESA-N	568.643	3.347	0	20	KGAD	
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1)C(=O)N(C)C	514384850	ZRCLBRXSDVBNTK-GOSISDBHSA-N	521.709	3.430	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)CC2)cc1	514403091	HUXYBMVOERZPPU-UHFFFAOYSA-N	584.116	3.341	0	20	KGAD	
Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n1Cc1ccccc1	514290933	BIXVHPYVNWQGCZ-QZTJIDSGSA-N	515.661	3.164	0	20	KGAD	
CCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc2sc3c(c2c1=O)CC[C@H](C)C3	514293750	WTEXIDYVZSXRFH-KRWDZBQOSA-N	610.762	3.267	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)cc1S(=O)(=O)N1CCOCC1	514293810	YMXUODXORPEFIX-UHFFFAOYSA-N	516.645	3.038	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@H](C)COC)c1	514374072	HHHAJKQBOUJIRA-OAHLLOKOSA-N	522.653	3.210	0	20	KGAD	
O=C(Nc1ccc(Br)cc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	514382040	ZRYJHMHBKUCCCG-UHFFFAOYSA-N	544.855	3.212	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)C2CCCC2)c(O)nc1=O	514385185	BMJMMIHHEFOHIP-LJQANCHMSA-N	568.700	3.288	0	20	KGAD	
C[C@@H](Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)o1)c1ccccc1	514386644	WLEHZYKWHHXWOA-IBGZPJMESA-N	500.646	3.182	0	20	KGAD	
CC(C)Cn1c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	514389114	ZHZKSGFKPXMRBR-OAGGEKHMSA-N	511.735	3.365	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1	514395085	BVWKLVMMFNYHSY-RBUKOAKNSA-N	509.694	3.118	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2nc(O)nc(C)c2C(=O)OC)c1	514401262	QXVHMTYGHMTFNU-GFCCVEGCSA-N	517.029	3.080	0	20	KGAD	
COc1cc(Br)c(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC	514402966	USGBCQNLRSZGND-LBPRGKRZSA-N	500.367	3.180	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)cc1	514404118	ZFRKJMLPLBUGGU-UHFFFAOYSA-N	535.688	3.299	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)n2[C@@H](C)COC)c1	514292805	MJSCWWZIOIKFTH-SFHVURJKSA-N	633.749	3.487	0	20	KGAD	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(=O)N3CCCCC3)cc2)C[C@@H](C)O1	514293455	UNQCIODIEAUPFW-WOJBJXKFSA-N	515.632	3.128	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c(O)nc1=O	514293657	UQTOSHLLMOKUPF-DEOSSOPVSA-N	570.735	3.452	0	20	KGAD	
CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1	514303229	VVAUTDWTTXEKBB-UHFFFAOYSA-N	520.703	3.378	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)CC2)c(C(=O)OC)c1C	514384513	URPGUZIFANHJEK-GOSISDBHSA-N	584.738	3.300	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)ccc1OC	514401737	CRHMTXDRIZLOLZ-NRFANRHFSA-N	510.056	3.182	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291238	CALXGTPLTHYLMX-UHFFFAOYSA-N	528.631	3.200	0	20	KGAD	
COc1ccc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1	514292523	NJLVNZARAYSFNM-KRWDZBQOSA-N	532.644	3.118	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1	514294175	ZRWCJZRLLGACKK-UHFFFAOYSA-N	537.704	3.382	0	20	KGAD	
CCCCn1c(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H](CC)N(C)C	514301092	VLPFBZURHOOVFR-MJGOQNOKSA-N	513.755	3.460	0	20	KGAD	
COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c2ccccc2O1	514378122	RYFOWOSYGKAUOL-QHCPKHFHSA-N	500.617	3.288	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cc(C)ccc2C)c(C(=O)OC)c1C	514380120	FRXOKYHYRVTQFV-HNNXBMFYSA-N	528.674	3.285	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)sc2c1CC[C@@H](C)C2	514394226	JVINDVDYMVFUJU-PMPSAXMXSA-N	549.719	3.357	0	20	KGAD	
CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[C@H]1c1ccccc1OC	514401158	NWKIZUVLUQRWPV-WXVAWEFUSA-N	559.685	3.443	0	20	KGAD	
CCCCN(C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	15324719	LZLSMRAIXIVWHM-UHFFFAOYSA-N	519.602	3.138	0	20	KGAD	
C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1	514293589	VWTHZPZFQNHMAI-AUSIDOKSSA-N	559.714	3.394	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(S[C@@H](C)C(=O)N3CCC(C(=O)OCC)CC3)s2)CC1	514294018	YPFCVIWPHSKQNC-HOTGVXAUSA-N	572.775	3.103	0	20	KGAD	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCCCCC1	514297608	XXNWKEOOMNPCNV-UHFFFAOYSA-N	556.106	3.060	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)Cc1ccc3c(c1)OCO3)n2CC	514299493	GVFDJVIOQANBSS-UHFFFAOYSA-N	500.621	3.407	0	20	KGAD	
Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1	514386674	XYIDHCFZSMGHEG-QHCPKHFHSA-N	510.685	3.271	0	20	KGAD	
O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1	514390558	OMQSHGYMSDHLQM-UHFFFAOYSA-N	536.580	3.453	0	20	KGAD	
CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)c(O)nc1=O	514395885	WHZMGJMXKZAFEF-QGZVFWFLSA-N	541.678	3.009	0	20	KGAD	
CCCn1c(CSCC(=O)N[C@H]2CCCC[C@@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514400915	FAEMQWSMPJZRPU-ICSRJNTNSA-N	508.710	3.395	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NCc1cccc(Cn3ccnc3)c1)n2CC(C)C	514403160	WFEBOWBZQSMTKL-UHFFFAOYSA-N	505.623	3.249	0	20	KGAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1	514290815	BZUQJMOXCGYSRM-HXUWFJFHSA-N	566.709	3.231	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)o1)c1c(O)nc(=O)n(CCCC)c1N	514290955	BLQNNLVAFPRUGN-UHFFFAOYSA-N	502.597	3.315	0	20	KGAD	
C[C@@H](NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(Br)cc1	514300747	SSXDNYIEIKEDQO-GOSISDBHSA-N	551.507	3.360	0	20	KGAD	
COc1ccc(-c2nnc(SCC(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)o2)cc1OC	514384029	JYRFSMJTBPTENQ-OAHLLOKOSA-N	509.631	3.123	0	20	KGAD	
COc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	514388534	ZXFFFSHXMGDJGM-IRXDYDNUSA-N	506.621	3.318	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)[C@H]1CCS(=O)(=O)C1	514388809	RVOWWIRYVPLQQW-WBVHZDCISA-N	517.698	3.452	0	20	KGAD	
CCCCN1C(=O)CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)[C@@H]1c1ccccc1OC	514389763	MBHLPUSXWFTOOX-OFVILXPXSA-N	577.725	3.156	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3cc(OC)cc(OC)c3)c3nccn3C)CC2)cc1	514390196	AZQWWOSMZQGVPG-VWLOTQADSA-N	542.658	3.143	0	20	KGAD	
COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)N1CCCC[C@@H]1C(N)=O	514391142	HPHMDRQURNFMAR-OAQYLSRUSA-N	509.632	3.129	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3c(Cl)cccn13)CC2	1815627895	PWFYCGVXZUVQIH-GFCCVEGCSA-N	500.009	3.252	0	20	KGAD	
C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1	514292816	OMGJZEMTPJURPD-HDICACEKSA-N	514.673	3.168	0	20	KGAD	
CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)nc1C	514383665	IIIMHPJQHXMDDW-UHFFFAOYSA-N	564.661	3.193	0	20	KGAD	
CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514395248	GIFKICXLYQVTKQ-XMMPIXPASA-N	514.673	3.437	0	20	KGAD	
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514402620	PSCLBRYGEAGGHL-MHZLTWQESA-N	577.147	3.155	0	20	KGAD	
COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(S[C@@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)C(C)C)nnc12	514403156	WDCLQIPJDOIIGU-AMGIVPHBSA-N	569.709	3.161	0	20	KGAD	
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514404356	DSMGIUOWHNSUTA-VXKWHMMOSA-N	548.637	3.499	0	20	KGAD	
CCS(=O)(=O)N1CCc2cc(/C(O)=C(/C(=S)N[C@H]3C[C@H]4CC[C@H]3C4)[n+]3cccc(O)c3)ccc21	912842472	IWYQLLXYENOZHT-FIKGOQFSSA-O	500.666	3.381	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514292298	LRKYJTPYOCVYLD-HXUWFJFHSA-N	652.799	3.180	0	20	KGAD	
CC[C@H](C)n1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1	514375091	KPQBDYUJURIFIG-KRWDZBQOSA-N	580.758	3.325	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2sc(C)c(C)c2C(=O)OC)c(O)nc1=O	514379107	LVJRZGDDJUHKBA-UHFFFAOYSA-N	521.640	3.204	0	20	KGAD	
Cc1ccc(CN(C)C(=O)CCCCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	514379581	AAQLSKZFUUQZDP-UHFFFAOYSA-N	521.705	3.277	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1cc(Br)ccc1OC	514381148	ZFSYTBQAGRZQIE-MRXNPFEDSA-N	514.394	3.326	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1	514402528	BSBZUEINKXYQNB-UHFFFAOYSA-N	506.071	3.144	0	20	KGAD	
CCCCN(C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CCC)[C@H]1CCS(=O)(=O)C1	514293503	VDKNCQZPIPBCBP-INIZCTEOSA-N	530.510	3.477	0	20	KGAD	
CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	514298563	ANPGMMITEROAFM-MHLWUJJFSA-N	521.655	3.142	0	20	KGAD	
CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1	514300359	LZUZVLQLAYCSQD-HXUWFJFHSA-N	508.662	3.247	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cc(Br)ccc2N2CCOCC2)c(C(=O)OC)c1C	514382507	NNSPCRUXBDRUSQ-MRXNPFEDSA-N	664.622	3.268	0	20	KGAD	
CCCOc1c(Br)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1OC	514384749	UURDEQVDCJGGEM-UHFFFAOYSA-N	529.409	3.225	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)sc(C(=O)NC)c1C	514392169	RSXGIIBMPCBQHI-UHFFFAOYSA-N	543.671	3.099	0	20	KGAD	
COc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514394381	LRYTYRWAOWTODO-PXNSSMCTSA-N	503.621	3.180	0	20	KGAD	
O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	514395740	RTRAWHYGKUCQAE-PXNSSMCTSA-N	542.521	3.101	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1c(O)nc(=O)n(CCCC)c1N	514297563	UUPQMGVLSTVXJR-UHFFFAOYSA-N	576.720	3.058	0	20	KGAD	
COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1C(=O)OC	514299236	DJLIONBNPJZWDY-ZDUSSCGKSA-N	594.693	3.267	0	20	KGAD	
CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C2=O)cc1OCCC	514385018	WVRPBAZJMKOHNS-UHFFFAOYSA-N	557.625	3.155	0	20	KGAD	
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)[C@@H]1CCS(=O)(=O)C1	514385601	NROILALGTDQJDA-QGZVFWFLSA-N	539.745	3.206	0	20	KGAD	
COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCN(CCN3CCCC3)CC2)c1	514387916	NPCDPXYTXCVYNU-UHFFFAOYSA-N	507.056	3.003	0	20	KGAD	
CCn1c(CCC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21	514390456	KOEAGBZRXVDOBW-NRFANRHFSA-N	514.648	3.438	0	20	KGAD	
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C(=O)NC[C@@H]4CCCO4)C(C)C)nnc23)c1	514403190	WRXMHCVJEOQDDO-SIKLNZKXSA-N	507.616	3.454	0	20	KGAD	
CCCCN(C(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12)c1c(O)nc(=O)n(CCC)c1N	514303169	VFWCYAGPZAAFBL-UHFFFAOYSA-N	525.635	3.379	0	20	KGAD	
CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1	514377589	ARUNLJAXRWFXBC-UHFFFAOYSA-N	525.052	3.053	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CC1	514379446	UWVXQNZFYABJKP-UHFFFAOYSA-N	593.724	3.086	0	20	KGAD	
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1	514380835	VJQAXLVBGKNCIP-LJQANCHMSA-N	568.643	3.347	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCN(CCOc2ccccc2)CC1	514381409	DQLHWYLUZDCOEW-UHFFFAOYSA-N	525.593	3.329	0	20	KGAD	
COC(=O)CCCCCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc2ccccc2c1=O	514386341	LEWZFLBJEJJRAS-UHFFFAOYSA-N	546.671	3.111	0	20	KGAD	
CCN(C(=O)[C@H](C)Sc1nnc2n(-c3cc(C)ccc3C)c(=O)c3ccccc3n12)[C@@H]1CCS(=O)(=O)C1	514388632	RPZWPFJJPWODFR-RBUKOAKNSA-N	539.683	3.166	0	20	KGAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	514405239	SRUXEIMXHWHUEQ-QGZVFWFLSA-N	517.991	3.152	0	20	KGAD	
CCSc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)s1	514293958	VHTAWIUJYVPVSG-UHFFFAOYSA-N	531.751	3.248	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	514297992	YRZIBHPGNACTDX-UHFFFAOYSA-N	612.174	3.332	0	20	KGAD	
CCOc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCCC1	514382075	FKTIHYDZBNNUDE-FQEVSTJZSA-N	573.734	3.438	0	20	KGAD	
CSCC[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	514388689	WPAVHNITFZQPIG-SCTDSRPQSA-N	562.541	3.123	0	20	KGAD	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(CCNS(C)(=O)=O)cc3)nnc12	514390173	AGONSKUEGKTYKJ-UHFFFAOYSA-N	527.672	3.301	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(=O)n4ccccc4n3)n2[C@@H](C)COC)c1	514400857	CMJGLXQMRNJOPK-SFHVURJKSA-N	542.687	3.483	0	20	KGAD	
CCCn1c(CSCC(=O)N(C)Cc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514400861	CPHFLIMVWLAJCM-UHFFFAOYSA-N	522.718	3.421	0	20	KGAD	
O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1	514401319	SZVXHYPKUBJYPA-HXUWFJFHSA-N	515.623	3.100	0	20	KGAD	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nnc(C[C@H]3CCS(=O)(=O)C3)n1C)CC2	514403042	PQSHAANVSZSRSS-WXTAPIANSA-N	556.710	3.076	0	20	KGAD	
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1S(=O)(=O)N(C)C	514376926	UDCQKUQLOQZILT-UHFFFAOYSA-N	550.522	3.109	0	20	KGAD	
COc1cc(CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc(OC)c1OC	514377867	MCJXEZJFTLWGLK-UHFFFAOYSA-N	510.591	3.227	0	20	KGAD	
CCCn1c(CCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21	514380981	UMWMYBGGJDXFAT-HHHXNRCGSA-N	571.719	3.492	0	20	KGAD	
COCCN(C(=O)CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514381558	JDPQAQBIJCHODR-QFIPXVFZSA-N	618.764	3.479	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccnn3Cc3ccc(OC)c(OC)c3OC)CC2)cc1	514385557	MINIKGBRDGWXGF-UHFFFAOYSA-N	544.630	3.005	0	20	KGAD	
COCCCn1c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(OC)c(OC)c1	514385608	NXIOFKKRFRZWME-UHFFFAOYSA-N	527.647	3.496	0	20	KGAD	
CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)sc2c1CCS(=O)(=O)C2	514391388	ISEBPXOBGRNEQN-UHFFFAOYSA-N	561.103	3.089	0	20	KGAD	
C[C@@H]1CCc2c(C(=O)N3CCN(S(=O)(=O)c4cc5c(cc4Cl)NC(=O)CO5)CC3)csc2C1	514404505	FZFKZYFIGXCMGA-CYBMUJFWSA-N	510.037	3.004	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1S(=O)(=O)N(C)C	514405756	YYJDXBCLQXRFMH-UHFFFAOYSA-N	509.650	3.009	0	20	KGAD	
N[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc4snnc4c3)sc2C1)c1cccc(Cl)c1	1821276670	GSOXITBCZPMFNW-DYVFJYSZSA-N	500.009	3.122	0	20	KGAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)n1	514291969	KTXVXYNQLGZNRW-SFHVURJKSA-N	517.633	3.426	0	20	KGAD	
CCCCN(C(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)COC)c1c(O)nc(=O)n(CC(C)C)c1N	514375188	LSILDVNSWRETAZ-KRWDZBQOSA-N	544.678	3.030	0	20	KGAD	
CCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC(C)C)c3c(O)nc(=O)n(CC(C)C)c3N)nnc12	514375884	YTZQYXZBAPNALO-UHFFFAOYSA-N	568.704	3.126	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1	514377148	YWPDXQMLXKSFEJ-CALCHBBNSA-N	523.677	3.173	0	20	KGAD	
COC(=O)c1csc(S(=O)(=O)N2CCN([C@H](C)c3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)CC2)c1	514387311	GKRKXJKDLNYAOM-UONOGXRCSA-N	536.701	3.437	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)sc2c1CC[C@H](C)C2	514394224	JVINDVDYMVFUJU-JYJNAYRXSA-N	549.719	3.357	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1	514303381	LMGIIHITDUPLNA-DEOSSOPVSA-N	522.067	3.133	0	20	KGAD	
CCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nc2sc3c(c2c1=O)CCCC3	514377145	YTFJDUGTGJKKAF-UHFFFAOYSA-N	596.735	3.021	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)CC2)cc1C	514379316	QCLWTXQFSHAPBC-UHFFFAOYSA-N	590.587	3.061	0	20	KGAD	
CCCn1c(SCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)nc2sc3c(c2c1=O)CCC3	514383214	DNYIDIABNAIFQF-UHFFFAOYSA-N	506.675	3.352	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1S(=O)(=O)N(CC)CC	514402473	JWRCPLFZUDRVCS-INIZCTEOSA-N	509.650	3.079	0	20	KGAD	
COCCN(C(=O)CCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)c1c(O)nc(=O)n(CC(C)C)c1N	514292294	KCTHJEKHRBMJMT-UHFFFAOYSA-N	542.662	3.326	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	514293168	QUZKBLOBZSDEAK-IBGZPJMESA-N	536.050	3.251	0	20	KGAD	
CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)[C@H]1CCS(=O)(=O)C1	514294009	YOKGQJLFBCWIND-ZWKOTPCHSA-N	553.772	3.424	0	20	KGAD	
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1nnc2ccccn12	514382316	JCCPFRMWEYFSQO-IBGZPJMESA-N	509.604	3.019	0	20	KGAD	
CC(C)c1ccc(CN2CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c3ccccc3Br)CC2)cc1	514387439	MUSGUSIZJGIJSD-XMMPIXPASA-N	564.546	3.450	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1	514390637	RKXWXIBMCXUWLH-UHFFFAOYSA-N	512.676	3.352	0	20	KGAD	
COc1cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1NS(C)(=O)=O	514402208	LPADKUSURLTBAY-UHFFFAOYSA-N	509.650	3.203	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)c1	514403887	SLTCFMIZXNMIKJ-UHFFFAOYSA-N	579.793	3.104	0	20	KGAD	
O=C(CSc1ncccn1)N[C@H]1CCc2nc(NC(=O)c3cnc4c(Cl)cccn34)sc2C1	1816078338	VCGDBMNCLWVUNY-LBPRGKRZSA-N	500.009	3.252	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1ccc(Br)cc1C	514296436	LRHZTJXZXUXKQT-UHFFFAOYSA-N	512.426	3.228	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccc(I)c1	514385527	KRCHPZRZGUZXIM-UHFFFAOYSA-N	560.410	3.117	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1	514388281	MYPNPPNGQNWQJD-QZTJIDSGSA-N	515.657	3.219	0	20	KGAD	
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)NCc1ccc(C(=O)N2CCOCC2)cc1	514395131	CUUITXIDLARHPR-QFIPXVFZSA-N	560.680	3.486	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(OC)cc3)C3CC3)CC2)c(C(=O)OC)c1C	514401276	RIQBGXMUWQYGNA-UHFFFAOYSA-N	564.682	3.230	0	20	KGAD	
CSc1cc(/C(O)=C(/C(=S)NC2CCN(C)CC2)n2ccc(=[N+](C)C)cc2)ccc1NC(C)=O	920394538	OOMMFIZLJYJOOX-UHFFFAOYSA-O	500.714	3.095	0	20	KGAD	
O=C(Cn1ccncc1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3c(Cl)cccc3s1)CC2	1824533256	FYAAJRKPXKJATR-GFCCVEGCSA-N	500.005	3.494	0	20	KGAD	
Cc1ccc([C@H]2O[C@@H]([C@H](C)S(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1	2048529063	DNLIVGUFTGXHQD-NNMVCBLISA-N	522.616	3.252	0	20	KGAD	
CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(S(=O)(=O)c5ccc(OCC)c(-c6nc(=O)c7c(C)nc(CCC)n7[nH]6)c5)CC4)ccc3OCC)[nH]n12	203699885	WYKDSGFHYVWQNO-UHFFFAOYSA-N	834.982	3.497	0	20	KGAD	in-vitro
CCn1c(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21	514296990	VGTNILZRUVTMKN-UHFFFAOYSA-N	591.756	3.451	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c(O)nc1=O	514378199	BDTNHLUUAYCWJG-UHFFFAOYSA-N	580.029	3.457	0	20	KGAD	
CCCn1c(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514379448	UXCZHROKSYLNIW-UHFFFAOYSA-N	631.821	3.056	0	20	KGAD	
COc1ccc(CNC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1OC	514387127	CPBDFUIRLNHHDQ-NRFANRHFSA-N	570.737	3.402	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(NC(=O)NC[C@H]4CCCO4)cc3)CC2=O)cc1	514393913	AXNXANRLWRTYQZ-WMZHIEFXSA-N	557.673	3.009	0	20	KGAD	
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3c(C)nn(Cc4ccccc4Cl)c3C)CC2)c1	514300414	OEIZJLWTMZAKOX-UHFFFAOYSA-N	533.050	3.366	0	20	KGAD	
O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1	514376381	JUTMGLKZYGRYHB-UHFFFAOYSA-N	509.632	3.200	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1	514377389	TVIKDZNAMOXJOK-UHFFFAOYSA-N	526.428	3.394	0	20	KGAD	
CCCCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)c1c(O)nc(=O)n(CCC)c1N	514379076	OKJGOAQPUVLUDO-HDICACEKSA-N	519.668	3.055	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1	514391417	ISNANSKXDVCPCP-UHFFFAOYSA-N	563.620	3.481	0	20	KGAD	
CCN(C(=O)CSc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514393803	KXKJHAQVORTTQP-LJQANCHMSA-N	578.699	3.194	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)c2c[nH]c3ccccc23)cc1	514395071	BRTLDTWQUVVZHZ-JTHBVZDNSA-N	562.696	3.405	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCC(C(=O)N4CCCC4)CC3)cc2)cc1	514402938	UAYUPHXABQOTCM-UHFFFAOYSA-N	529.659	3.150	0	20	KGAD	
O=C(OCCCCO)c1ccc(C(=O)OCCCCOC(=O)c2ccc(C(=O)OCCCCO)cc2)cc1	2088642712	VOZHOJZXYKSVKY-UHFFFAOYSA-N	530.570	3.339	0	20	KGAD	
CCN(CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)Cc1nc(O)c2cc(OC)c(OC)cc2n1	514297135	NVWWUKJJFBFHDL-UHFFFAOYSA-N	552.053	3.107	0	20	KGAD	
COCCCn1c(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)nnc1-c1ccc(OC)c(OC)c1	514304706	XAEUOKHBKPDIKB-UHFFFAOYSA-N	513.620	3.431	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)nnc1-c1cccc(C)c1	514375211	MLBJNAIIKPNJEH-UHFFFAOYSA-N	515.661	3.334	0	20	KGAD	
COCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1CCc1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N	514375984	YSAWPGOIMTVKTK-UHFFFAOYSA-N	607.737	3.469	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSCCN1C(=O)c2ccccc2C1=O	514380529	MLMZZQUZYYXARG-UHFFFAOYSA-N	501.630	3.138	0	20	KGAD	
COc1cc(-c2nnc(SCC(=O)N3CCCC[C@H]3C(N)=O)n2C2CCCCC2)cc(OC)c1OC	514389365	FHQWJLGRCISTHW-SFHVURJKSA-N	517.652	3.435	0	20	KGAD	
CC(C)CCN(C(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514390363	HQVRDRIPHOLMKB-LJQANCHMSA-N	519.602	3.163	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)c1	514403586	NYOFBZZYZYWHKO-UHFFFAOYSA-N	528.679	3.093	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccccc1OC	514290891	COXLUIPZXFNYSM-UHFFFAOYSA-N	531.660	3.034	0	20	KGAD	
Cc1ccc(NC(=O)CN(C)C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1	514296863	QYOLBOKYIGOCSM-UHFFFAOYSA-N	511.648	3.086	0	20	KGAD	
O=C(NCC[C@@H]1C(=O)Nc2ccccc21)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514384952	VMQXQWGSWKQKTB-HNNXBMFYSA-N	512.451	3.154	0	20	KGAD	
O=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	514386504	QGKOINYYLWKMNF-IBGZPJMESA-N	567.520	3.116	0	20	KGAD	
O=C([C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c2ccccc2O1)N1CCCCC1	514388815	RZUXGIUIETXHEZ-MHZLTWQESA-N	569.680	3.055	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1	514390389	ILVAJGBOPBNJAN-IBGZPJMESA-N	504.628	3.413	0	20	KGAD	
CCOC(=O)c1c(NC(=O)CSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)sc(C(=O)N(C)C)c1C	514394144	QZLUYQDXUSDXDV-KRWDZBQOSA-N	564.734	3.427	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1	514395083	BVWKLVMMFNYHSY-MOPGFXCFSA-N	509.694	3.118	0	20	KGAD	
C[C@@H]1CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2[C@H](C)c2ccccc2)C[C@@H](C)O1	514291994	KWHICGIQEYBYGB-YPAWHYETSA-N	585.752	3.303	0	20	KGAD	
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1	514293624	WKPXXXHLANKTBG-XXBNENTESA-N	602.739	3.104	0	20	KGAD	
COc1ccc(CCN2C[C@H](C(=O)N(CCC(C)C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)CC2=O)cc1OC	514296959	UKFRPTKAIMDLMY-HSZRJFAPSA-N	577.682	3.067	0	20	KGAD	
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccccc1C(F)(F)F	514380411	KFPOSNKEPDZJJS-INIZCTEOSA-N	549.593	3.118	0	20	KGAD	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514383896	NJKHOLFLMOTSFV-HUUCEWRRSA-N	536.459	3.242	0	20	KGAD	
CCCCCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c2ccccc2c1=O	514384156	OZRSMJFKNINWBX-UHFFFAOYSA-N	504.559	3.012	0	20	KGAD	
COc1ccc(C(NC(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)c2ccc(OC)cc2)cc1	514384855	ZUFVBSWCUIWBOF-UHFFFAOYSA-N	511.648	3.367	0	20	KGAD	
CCN1CCc2c(sc3nc(S[C@H](C)C(=O)NC(=O)NC4CC4)n(-c4cccc(OC)c4)c(=O)c23)C1	514391823	QZLUWDVLDLDAKU-CQSZACIVSA-N	527.672	3.303	0	20	KGAD	
COC(=O)c1cc(NC(=O)CSc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccco2)cc(C(=O)OC)c1	514393406	ZSRQUXOCYKJDDW-MRXNPFEDSA-N	527.603	3.460	0	20	KGAD	
Cc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)N2CCOCC2)o1	514405002	PTZTWHMCWRQXSZ-QFIPXVFZSA-N	515.657	3.200	0	20	KGAD	
CCCCn1c(N)c(N(CC)C(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)c(O)nc1=O	514297066	WKLOILLFXRGQTI-UHFFFAOYSA-N	635.379	3.310	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)Cc2cc(C(C)=O)ccc2OC)CC1	514299755	QQWNMYOYKDLZNU-UHFFFAOYSA-N	530.691	3.251	0	20	KGAD	
CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Oc2ccc(F)cc2)c(O)nc1=O	514378312	FIVOUQFAILSMJY-UHFFFAOYSA-N	662.741	3.301	0	20	KGAD	
CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1OCC	514383388	CXFCMMZLRFPZPD-QGZVFWFLSA-N	531.052	3.245	0	20	KGAD	
Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCc1nc(O)c2cc(Br)cc(Br)c2n1	514388941	VWUJDBKTJBXAMK-VIFPVBQESA-N	563.297	3.258	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1nnc(N(C(C)=O)C2CC2)s1	514394856	UYGDPWNAPKDPEN-UHFFFAOYSA-N	539.705	3.358	0	20	KGAD	
O=C(CN1CCN(C(=O)CN2CCN(CCOc3ccc(Cl)cc3)CC2)CC1)Nc1ccccc1C(F)(F)F	514400964	GZIRAHOUZYSXIJ-UHFFFAOYSA-N	568.040	3.138	0	20	KGAD	
C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	514293330	UEFHHDFHQIGLMP-SFHVURJKSA-N	514.677	3.079	0	20	KGAD	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1	514296029	NTJHLDJBKHQXCZ-VQIMIIECSA-N	539.676	3.063	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)CC2)cc1	514296994	VIMLJZHXPOFXIN-UHFFFAOYSA-N	618.561	3.104	0	20	KGAD	
CCOCCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(Cc4ccccc4C)CC3)nnc12	514302185	LZUQEBRKRIQDBU-UHFFFAOYSA-N	534.686	3.216	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1S(=O)(=O)N1CCCCCC1	514401909	BMVDWBCTFBEXSY-UHFFFAOYSA-N	500.621	3.211	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)n2CC(C)C	514381055	ZVWPMFQSJDEZBL-UHFFFAOYSA-N	553.085	3.230	0	20	KGAD	
CCCCn1nnnc1CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC	514383937	NVZQTLICGJEVNJ-QGZVFWFLSA-N	522.701	3.262	0	20	KGAD	
CCCCN(C(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1	514386900	HYMQVDHQQHDUKV-WXVAWEFUSA-N	500.661	3.467	0	20	KGAD	
CC[C@H](Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)C(=O)NCc1ccccc1	514390319	FTGLAIAPHVNAHC-QFIPXVFZSA-N	502.662	3.264	0	20	KGAD	
CC(=O)CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(CCc3ccc(OC(F)F)cc3)C2=O)cc1	514401492	WTWWBOTULXHHSH-FNZWTVRRSA-N	504.530	3.493	0	20	KGAD	
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)cc2)C1	514403638	WLZCVSFJBLWWQF-KRWDZBQOSA-N	541.642	3.425	0	20	KGAD	
O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)sc2C1)c1cnc(Cl)s1	1825600645	NDTZBAXFOIGNES-YEAUUJKJSA-N	500.005	3.389	0	20	KGAD	
CC(C)C[C@@H](NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCCOCCN	2332239626	IMJARMFRGASVMW-GMTSZFNJSA-N	660.812	3.136	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)c1c(O)nc(=O)n(CCCC)c1N	514296905	SELQKSCKTZYBDK-KDURUIRLSA-N	533.695	3.445	0	20	KGAD	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCN(CCOc3ccccc3Cl)CC2)c1	514302137	BUFBHXNYVLZTHE-UHFFFAOYSA-N	529.490	3.269	0	20	KGAD	
CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)cc1S(=O)(=O)N(C)C	514386053	ZYJDWDLEWXWITO-XLIONFOSSA-N	553.703	3.454	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2	514388087	UMQMQKSGVBYMPM-QHCPKHFHSA-N	545.658	3.043	0	20	KGAD	
C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc(Br)cc1Br	514388316	OCXDFFRJIISNOV-WDEREUQCSA-N	552.314	3.437	0	20	KGAD	
CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1	514404934	ONXZKXLGUMVUJE-FQEVSTJZSA-N	528.704	3.485	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1	514377235	OKGATOFOYNLPRD-UHFFFAOYSA-N	555.575	3.368	0	20	KGAD	
COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1	514383842	MMDGYBHTOCARJB-UHFFFAOYSA-N	556.664	3.066	0	20	KGAD	
COc1c(NC(=O)NCc2ccccc2OCCN2CCOCC2)cc(C(C)(C)C)cc1NS(C)(=O)=O	261507456	IUABYYLHWPEMOR-UHFFFAOYSA-N	534.679	3.397	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1	514291669	IKQQGHKNEOZWKJ-UHFFFAOYSA-N	514.431	3.500	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1S(=O)(=O)N1CCOCC1	514293003	QMVXLMVOXGLFNN-UHFFFAOYSA-N	513.645	3.205	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	514293672	VFQPYDLXKCULGX-JOCHJYFZSA-N	552.596	3.072	0	20	KGAD	
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(C(C)C)cc1	514295182	CGVMZANRBUAGGL-HSZRJFAPSA-N	519.689	3.321	0	20	KGAD	
COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	514297209	QQFICVTYQVUKPI-DYESRHJHSA-N	586.132	3.479	0	20	KGAD	
Cc1ccc(NC(=O)CSCC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	514378829	IQULNXDMIRLNSE-UHFFFAOYSA-N	515.579	3.219	0	20	KGAD	
COc1ccc(-c2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)sc2C)cc1	514381469	GLUWERMRCWSRKI-UHFFFAOYSA-N	558.682	3.237	0	20	KGAD	
CCOc1ccc(NC(=O)CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCCC1	514389963	TWUHTTDZBWVRMO-RUZDIDTESA-N	554.713	3.248	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCc1c(C)nc2ncnn2c1C	514299757	QXFPCOPYSMEIKL-UHFFFAOYSA-N	501.657	3.189	0	20	KGAD	
O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514300247	MJPKVNWDKMBYPE-LEWJYISDSA-N	560.673	3.272	0	20	KGAD	
COC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc1C	514301102	VWSANHJAFJNCGH-UHFFFAOYSA-N	508.441	3.102	0	20	KGAD	
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1	514375737	VZDVXVBEXQOCMK-LPHOPBHVSA-N	521.665	3.408	0	20	KGAD	
CCCCn1c(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514384737	UMBCINBDBBBCNZ-UHFFFAOYSA-N	549.744	3.225	0	20	KGAD	
CC(C)[C@@H](NC(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccc2c(c1)OCCO2	514386084	CKMYCYQPJUJWEW-XMMPIXPASA-N	509.632	3.481	0	20	KGAD	
Cc1c(-c2ccccc2)sc(NC(=O)CSc2nnc(O)n2C[C@H]2CCCO2)c1C(=O)N1CCOCC1	514386495	QAHAOSGYHHFQKF-GOSISDBHSA-N	543.671	3.403	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514393277	VFHOULJVLUVZKV-DYESRHJHSA-N	521.661	3.344	0	20	KGAD	
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1	514394610	PENKNEYUZORIOP-IRXDYDNUSA-N	521.661	3.055	0	20	KGAD	
COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)N2CCOCC2)cc1	514290964	AQSZRONDLJIUQN-VWLOTQADSA-N	501.649	3.063	0	20	KGAD	
CN(C)CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl	514382342	JVNMGPGGIBCZRR-UHFFFAOYSA-N	508.069	3.262	0	20	KGAD	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)n2Cc2ccco2)C1	514392759	ATWQMRPTYDBXGM-IXDOHACOSA-N	518.665	3.168	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)CC2)c(OC)c1OC	514393185	QHNLMKKJCKVJPL-UHFFFAOYSA-N	512.632	3.188	0	20	KGAD	
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514401825	FXALYAFDEUWDDL-MHZLTWQESA-N	577.147	3.155	0	20	KGAD	
O=C(NC[C@@H]1CCN(C(=O)c2sccc2Cl)[C@@H]1c1cccnc1)c1cc(=O)nc2sccn12	1811260124	YGQQMUWVYLMSPF-KBXCAEBGSA-N	500.005	3.499	0	20	KGAD	
O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514300254	MJQHDRRKJRIBIW-RBUKOAKNSA-N	508.666	3.330	0	20	KGAD	
O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)CCCCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1	514303065	SHHYIWBSFQCREU-HSZRJFAPSA-N	590.768	3.187	0	20	KGAD	
O=C(O)CN(CC(=O)O)[C@@H]1CCCC[C@H]1N(CC(=O)O)Cc1ccc(CC(=O)Oc2c(F)c(F)cc(F)c2F)cc1	2048465547	GKFBSFKLJKSHSZ-WOJBJXKFSA-N	584.519	3.060	0	20	KGAD	
C[C@@H](Sc1nc2sc3c(c2c(=O)n1CCCN(C)C)CCCC3)C(=O)N1CCN(C(=O)c2ccco2)CC1	514291341	FHKZCFYZTFPLJK-GOSISDBHSA-N	557.742	3.347	0	20	KGAD	
C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1	514292822	OMGJZEMTPJURPD-QZTJIDSGSA-N	514.673	3.168	0	20	KGAD	
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nnc1-c1ccco1	514375195	MQGPEZCDJVSCST-HOTGVXAUSA-N	505.622	3.087	0	20	KGAD	
CCCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nnc12	514375861	XTCRABXSZHMOGD-LJQANCHMSA-N	584.724	3.375	0	20	KGAD	
CCCCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nc2cc(S(=O)(=O)N(C)C)ccc21	514375865	XTQHIAOXGDHLCT-UHFFFAOYSA-N	607.803	3.369	0	20	KGAD	
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)c1C	514380857	VXWDHGCSEIHHQL-UHFFFAOYSA-N	502.818	3.397	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c3nccc-3c1Cl)CC2	1815627813	LKYXEDWEZNDLCG-LLVKDONJSA-N	500.009	3.433	0	20	KGAD	
Cc1nnc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5ccc(Cl)cc5nn4)sc3C2)s1	1816905352	JHDLVAGAIWRRPO-CYBMUJFWSA-N	500.009	3.368	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514387971	KSHURIGZBKWXQH-CQSZACIVSA-N	510.588	3.475	0	20	KGAD	
Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2	514388830	SMYAKRNOQOIDSC-SFHVURJKSA-N	531.729	3.453	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1	514392595	ZFOOJAGAMWNTEF-UHFFFAOYSA-N	519.649	3.264	0	20	KGAD	
O=C(CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	514392754	ASHPEBRKSDPCSW-OAQYLSRUSA-N	548.735	3.353	0	20	KGAD	
Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)ccc1Br	514395314	HRWMGSAELMLWLT-RDJZCZTQSA-N	510.458	3.484	0	20	KGAD	
CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	514401284	RPNFGKSWDIOWQD-NRFANRHFSA-N	530.449	3.010	0	20	KGAD	
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nc2sc(C)c(C)c2c1=O	514403821	QZWJDWSCXNWQQD-UHFFFAOYSA-N	557.119	3.500	0	20	KGAD	
Nc1c(C(=O)N2CC[C@H](CNC(=O)c3cnc(Cl)s3)[C@H]2c2cccnc2)sc2nccnc12	1811030911	QBFHWJKXNKVVOU-MLGOLLRUSA-N	500.009	3.412	0	20	KGAD	
CCCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nc2ccccc2c1=O	514293029	QSWAHYOGNNCAFK-UHFFFAOYSA-N	514.652	3.088	0	20	KGAD	
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1S(=O)(=O)N1CCCCC1	514293764	XBBZLXOBHDOBLV-UHFFFAOYSA-N	541.642	3.487	0	20	KGAD	
CSc1nc(C)c(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)c(C)n1	514301115	WMIYKGJKNYZINO-UHFFFAOYSA-N	546.763	3.313	0	20	KGAD	
COc1ccccc1-n1c(SCC(=O)N2CCN(C(C)=O)CC2)nc2sc3c(c2c1=O)CCCC3	514375444	QFRZRDPBJWYFIZ-UHFFFAOYSA-N	512.657	3.117	0	20	KGAD	
Cc1ccc(NC(=O)CSc2nnc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)s2)c(C)c1	514377880	MPAIAPBTBINUMJ-HOTGVXAUSA-N	501.634	3.390	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	514381680	NODCADGKGZZRDK-UHFFFAOYSA-N	616.806	3.226	0	20	KGAD	
COc1ccc(CN(C(=O)CN2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)C2CC2)cc1	514387535	OPEOYGIVGGJZRL-UHFFFAOYSA-N	520.552	3.341	0	20	KGAD	
O=C(CCN1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	514391342	HJPWYCAJYIMDQX-UHFFFAOYSA-N	584.768	3.207	0	20	KGAD	
COc1ccccc1-n1c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514404583	IRTXHEGABAHDFN-HZPDHXFCSA-N	547.724	3.461	0	20	KGAD	
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc3c(c2)OCO3)C1	514374986	JEVOLTHXISVAPD-NHCUHLMSSA-N	613.762	3.340	0	20	KGAD	
CCCCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c(O)nc(=O)n(CCCC)c1N	514379443	UVAUMVQRWDIRJK-UHFFFAOYSA-N	533.695	3.272	0	20	KGAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)Nc1ccc(Br)cc1F	514380837	VKTQHUYROZDLCJ-UHFFFAOYSA-N	541.443	3.260	0	20	KGAD	
Cc1cc(C(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)c(C)n1[C@H]1CCS(=O)(=O)C1	514385004	WPWPGMXMRGTCJQ-HNNXBMFYSA-N	515.539	3.314	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc2nnc(SCC(=O)N[C@H](C)c3ccc(Br)cc3)n2c1	514390682	AIEZTTKXTAENRZ-CQSZACIVSA-N	526.482	3.492	0	20	KGAD	
CCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1	514405153	REDXAXGQKOFARW-HKUYNNGSSA-N	515.657	3.301	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(CC)CC)ccc3OC)CC2)cc1	514292053	JUUYBBNKFUPBQN-UHFFFAOYSA-N	553.703	3.164	0	20	KGAD	
CCCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nnc12	514375860	XTCRABXSZHMOGD-IBGZPJMESA-N	584.724	3.375	0	20	KGAD	
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1S(=O)(=O)N1CCOCC1	514291259	DFUPYHCAVKOWRM-UHFFFAOYSA-N	560.698	3.203	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(Cl)cc1)N(C)C	514291856	HPEGFWHQADTQNA-QGZVFWFLSA-N	565.121	3.295	0	20	KGAD	
CCOC(=O)C1CCN(C(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2CCc2ccccc2)CC1	514375417	PTJBTPZVAAHGBH-UHFFFAOYSA-N	537.638	3.320	0	20	KGAD	
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1	514390410	JAUWDLVKNLJVPT-LJQANCHMSA-N	540.715	3.030	0	20	KGAD	
O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514393830	MFMLVTNJSHKSRK-UHFFFAOYSA-N	512.632	3.299	0	20	KGAD	
Nc1c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)Cc2cccnc2Cl)CC3)sc2nccnc12	1815250690	PYOIYUPSZIINIZ-NSHDSACASA-N	500.009	3.247	0	20	KGAD	
O=C(c1cc(I)cc(I)c1I)N1CCC[C@H](CO)C1	59245821	ZXOLYCODVJPMET-QMMMGPOBSA-N	596.972	3.345	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2	514295287	BNJMDEINGNYONP-UHFFFAOYSA-N	500.495	3.128	0	20	KGAD	
CCCn1c(S[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)nc2ccc(Br)cc2c1=O	514395413	JTEBYUQTHLHGAX-HNNXBMFYSA-N	517.453	3.188	0	20	KGAD	
CS(=O)(=O)c1ccc(F)c(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1	514384106	LNWXEFFHJRIJDH-UHFFFAOYSA-N	508.515	3.287	0	20	KGAD	
CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1	514401196	PAHFLFGUIPUBSR-QFIPXVFZSA-N	536.492	3.307	0	20	KGAD	
CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	514401901	BFBQSCREEAUKML-CYBMUJFWSA-N	521.043	3.215	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccc(Br)cc3)cc2)C[C@@H](C)O1	514295159	HHGXSOPMTPYAPK-IYBDPMFKSA-N	524.437	3.006	0	20	KGAD	
CCOc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1OCC	514300423	OMMKJPLSANMPRT-UHFFFAOYSA-N	568.592	3.247	0	20	KGAD	
COC[C@@H](C)n1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nc2ccccc2c1=O	514302090	AXDXFYSCIYGJKZ-SJLPKXTDSA-N	503.646	3.357	0	20	KGAD	
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)CC2)c1	514377611	BUWHFQQRFQNAAS-UHFFFAOYSA-N	575.753	3.121	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1cc(OC)c(Cl)cc1OC	514390945	CWTYXJDCMGTPJW-UHFFFAOYSA-N	541.070	3.275	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1	514292668	PFTFREUGFUXQLP-IBGZPJMESA-N	502.637	3.288	0	20	KGAD	
O=C(NCc1nnc2ccccn12)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	514301882	GARLQMRWYRQBCB-UHFFFAOYSA-N	501.918	3.119	0	20	KGAD	
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1	514394614	PILDVTDCEWUKTH-KDURUIRLSA-N	545.658	3.237	0	20	KGAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	514405238	SRUXEIMXHWHUEQ-KRWDZBQOSA-N	517.991	3.152	0	20	KGAD	
CCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1cccs1	514291961	IZXKNVWNTOUEKJ-UHFFFAOYSA-N	505.670	3.308	0	20	KGAD	
C[C@H]1CCc2c(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)csc2C1	514292704	PBNGGIXTDXHYMK-HNNXBMFYSA-N	526.080	3.258	0	20	KGAD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sc3ccccc3c1Cl)C2)c1cnc2snnc2c1	1798504524	UDPLTZPDCRKJOB-IVWMJMPLSA-N	500.005	3.471	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1	514291154	CRFPDJKRLPKJCF-UHFFFAOYSA-N	500.621	3.469	0	20	KGAD	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	514296401	MGDCTNJDFGMKTP-UHFFFAOYSA-N	501.605	3.123	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1ccc(C(F)(F)F)cc1	514387910	NJALLQYOGAHOMV-UHFFFAOYSA-N	547.577	3.045	0	20	KGAD	
Cc1nc(Cc2nnc(SCC(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)o2)cs1	514390386	IJSPLJWDPLXTKR-UHFFFAOYSA-N	519.674	3.281	0	20	KGAD	
COC(=O)Cc1csc(NC(=O)CSc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)n1	514405579	XVOMNQQTUJUIKT-UHFFFAOYSA-N	507.041	3.419	0	20	KGAD	
CCCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514296016	NOUGATAYPFWCKK-KDURUIRLSA-N	563.721	3.309	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)N2CCCCC2)cc1	514297912	WVXJBDVBMYUILD-DNQXCXABSA-N	505.706	3.439	0	20	KGAD	
CCOc1ccc(NC(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)cc1S(=O)(=O)N1CCCCC1	514299285	JUGAJRFKUHCOAF-UHFFFAOYSA-N	541.573	3.238	0	20	KGAD	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514299376	DLFZOZUOIXGBGL-MSOLQXFVSA-N	566.076	3.465	0	20	KGAD	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514299875	JQPNBGSIGNKQLA-RBUKOAKNSA-N	559.735	3.223	0	20	KGAD	
CCCCn1c(CCC(=O)NCc2nnc3ccccn23)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514301273	ZIFOZSUWOWHLFY-UHFFFAOYSA-N	511.652	3.159	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1	514302675	OZFOWZCUXUWNMJ-UHFFFAOYSA-N	593.724	3.086	0	20	KGAD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(OCc4nnc(-c5ccc(Cl)cc5)o4)c3c2)C1	514376141	CRXUEKTUFYIFTE-HUUCEWRRSA-N	502.984	3.430	0	20	KGAD	
CCN(CC)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1cccc(OC)c1	514390512	MKDSEHDRZQKJQR-RUZDIDTESA-N	503.665	3.304	0	20	KGAD	
COc1cc(CN(C)C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)ccc1OC(F)F	514405646	ZVHDDZDJYZCROT-UHFFFAOYSA-N	539.557	3.038	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc2c(=O)n3c(nc2c1)CCCCC3	514295706	JROOEFPIMRDTED-UHFFFAOYSA-N	580.585	3.337	0	20	KGAD	
CS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)ccc21	514301610	ASFYMMVMBUFLIK-UHFFFAOYSA-N	502.946	3.428	0	20	KGAD	
C[C@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	514374418	BRKLEJCVVSMIPO-HKUYNNGSSA-N	563.727	3.326	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n1-c1ccc(F)cc1)N(C)C	514375932	WZOKFEORUFFVPS-DYESRHJHSA-N	523.700	3.470	0	20	KGAD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1	514385068	ZDQUADSRIORBPK-KCWPFWIISA-N	510.635	3.062	0	20	KGAD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)cc2)C1	514291223	BLRJWYPYCSYAGU-QZTJIDSGSA-N	518.661	3.076	0	20	KGAD	
COCCN(C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514374363	AWBHVVMGTIYJSL-UHFFFAOYSA-N	622.727	3.057	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	514301605	AOEIPFSICRHKCA-IBGZPJMESA-N	582.553	3.053	0	20	KGAD	
COc1ccc(CN2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)CC2)c(OC)c1OC	514302170	CRAPRFKMDYOSAX-SFTDATJTSA-N	545.702	3.337	0	20	KGAD	
COCCN(C(=O)CNc1ccc(Br)c(C(F)(F)F)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514382640	TVWJQBAXOBABBJ-UHFFFAOYSA-N	536.349	3.060	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)CC1	514382682	AGWSUUYHRRUYHV-UHFFFAOYSA-N	638.791	3.010	0	20	KGAD	
CCCCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)nnc1[C@H](CC)N(C)C	514383747	JHQZIMXZEJYSIZ-IBGZPJMESA-N	527.695	3.040	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N(C)Cc3nc4ccccc4s3)CC2=O)cc1	514384534	VJCUEJDQBMCMGP-KRWDZBQOSA-N	500.646	3.338	0	20	KGAD	
CCN(CC)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccccc1	514401892	AYUGVJYFIKUORL-DEOSSOPVSA-N	515.676	3.448	0	20	KGAD	
COCCN(C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1	514404592	JDVSYHWXGBPZTM-LJQANCHMSA-N	518.636	3.136	0	20	KGAD	
COCCn1c(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)nc2cc(Cl)ccc2c1=O	514292445	KZPLNKSXDDPIKK-KRWDZBQOSA-N	524.064	3.449	0	20	KGAD	
Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514292940	OMMQCKFCSCXBLV-UHFFFAOYSA-N	579.517	3.137	0	20	KGAD	
COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)N2CCCC2)c1	514294741	BCYSKGPHIMWHPP-SANMLTNESA-N	513.660	3.252	0	20	KGAD	
Cc1cccc(C)c1NC(=O)CN(CC(=O)Nc1c(C)cccc1C)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1	514380567	NDQFUELQGGOQPF-RUZDIDTESA-N	570.756	3.471	0	20	KGAD	
CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1	514382908	XVTHNSNPOYMWGJ-DEOSSOPVSA-N	505.706	3.266	0	20	KGAD	
Cc1ccnn1-c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1	514385995	ZAKSOPZSRTZGBU-UHFFFAOYSA-N	509.632	3.444	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)n1-c1ccc(F)cc1)N(C)C	514386559	SLSNVGTUXIWPNU-MRXNPFEDSA-N	549.698	3.076	0	20	KGAD	
COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc(OC)c1Br	514389001	XFJMEBWBVSEJOL-UHFFFAOYSA-N	554.282	3.437	0	20	KGAD	
Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)CC1	514389788	MNPQCUWSUSNAAX-AWEZNQCLSA-N	520.833	3.398	0	20	KGAD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1	514392474	WQEUPHOSZGRKOC-UHFFFAOYSA-N	519.528	3.245	0	20	KGAD	
O=C1C[C@H](N2CCN(Cc3nc(O)c4c5c(sc4n3)CCCC5)CC2)C(=O)N1c1cccc(Cl)c1	514394496	WPLSVFIJLHAGOT-SFHVURJKSA-N	512.035	3.379	0	20	KGAD	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1S(=O)(=O)NC(C)C	514297219	QRFHFZZIBTVZSF-KRWDZBQOSA-N	509.650	3.055	0	20	KGAD	
COc1ccccc1[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCC1	514301676	BWOSBFKPWNVPCQ-QFIPXVFZSA-N	507.603	3.327	0	20	KGAD	
O=C([C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c2ccccc2O1)N1CCOCC1	514303910	QMABKDPCAYVASJ-JOCHJYFZSA-N	568.479	3.047	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCCC3)CC2)c(C(=O)OC)c1C	514377412	USVAGPKNQWOSLU-QHCPKHFHSA-N	621.778	3.382	0	20	KGAD	
COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)N2CCCCC2)cc1	514379621	BHSFWRRDKKVJCO-ZCYQVOJMSA-N	501.649	3.110	0	20	KGAD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CC1	514380488	OAGXDADLTJKXQV-UHFFFAOYSA-N	581.695	3.255	0	20	KGAD	
CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3sc(C(=O)OC)c(CC(=O)OC)c3C(=O)OC)n2C)cc1	514383462	JPABWZFDKRXRSU-UHFFFAOYSA-N	589.696	3.409	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)N[C@H](CC(C)C)c1ccccc1	514390838	WKSYCFCNEATQPS-JOCHJYFZSA-N	549.715	3.291	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N(C)Cc2ccc(Cl)s2)n1CCN1CCOCC1)N(C)C	514392193	VLETVCMAFXJJGR-KRWDZBQOSA-N	501.122	3.089	0	20	KGAD	
O=C(CSc1ncccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cn3cc(Cl)ccc3n1)CC2	1815631121	YFOZKLBUPLNBQT-ZDUSSCGKSA-N	500.009	3.252	0	20	KGAD	
CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1NC(=O)OCc1ccccc1	255987386	MGGUAKUGDDXDFU-UMGWPWBVSA-N	521.566	3.456	0	20	KGAD	
O=S(=O)(c1cccc(-c2nnc(SC[C@@H]3CCCO3)n2-c2ccc(F)cc2)c1)N1CCOCC1	514290877	CLDTUQXBOKXUOU-FQEVSTJZSA-N	504.609	3.365	0	20	KGAD	
CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1	514292529	NCOTVICPMCVSNG-UHFFFAOYSA-N	514.692	3.414	0	20	KGAD	
CCOc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514376040	AFVCICYQBQKDFN-UHFFFAOYSA-N	503.621	3.114	0	20	KGAD	
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	514377860	MASAVSXAXBOPPJ-UHFFFAOYSA-N	514.069	3.408	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(Cl)cc3Cl)CC2)cc1	514378499	GMVPYMQYCMYVEO-NRFANRHFSA-N	560.525	3.387	0	20	KGAD	
Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1	514386673	XYIDHCFZSMGHEG-HSZRJFAPSA-N	510.685	3.271	0	20	KGAD	
C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	514387948	KESHXWPRZQJYQL-RYUDHWBXSA-N	513.617	3.313	0	20	KGAD	
CN(Cc1ccccc1Br)C(=O)CSCCOc1ccc(S(=O)(=O)N(C)C)cc1	514391032	DVEWMRSXFVQFOV-UHFFFAOYSA-N	501.468	3.470	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1	514404590	IZSDKNUJKOCXKN-UHFFFAOYSA-N	529.706	3.143	0	20	KGAD	
Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)O)c2ccc(-c3scnc3C)cc2)C(C)C)on1	2090608662	ALLAYPNFQHTUKN-MDAIXWLXSA-N	540.642	3.449	0	20	KGAD	
COc1ccc(C(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)cc1S(=O)(=O)N1CCCCCC1	514301316	ZVURSYVJEGKPOW-UHFFFAOYSA-N	539.702	3.482	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)s1	514302708	QTHKCMLOUAOBIC-UHFFFAOYSA-N	501.696	3.094	0	20	KGAD	
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)C(=O)c1ccc2c(c1)NC(=O)CO2	514384826	ZCKRWOKKTGKVQA-INIZCTEOSA-N	511.579	3.111	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccc2ncsc2c1	514401758	DBMXNZIPJXTNCY-KRWDZBQOSA-N	502.618	3.160	0	20	KGAD	
O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514300249	MJPKVNWDKMBYPE-RTWAWAEBSA-N	560.673	3.272	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2ccc(C(=O)N(C)C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514303803	ZMZOYEBPAKXUPV-UHFFFAOYSA-N	541.674	3.130	0	20	KGAD	
CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)nnc12	514374636	FHDJFWKIERMOGU-UHFFFAOYSA-N	639.804	3.442	0	20	KGAD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c(O)nc1=O	514379848	VNUFPJXWCYHZET-UHFFFAOYSA-N	581.695	3.168	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)C2CCCC2)c(O)nc1=O	514385184	BMJMMIHHEFOHIP-IBGZPJMESA-N	568.700	3.288	0	20	KGAD	
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1	514394609	PENKNEYUZORIOP-IAGOWNOFSA-N	521.661	3.055	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1	514401226	PXSHQHJYCPWDIM-QUCCMNQESA-N	525.668	3.134	0	20	KGAD	
C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F)C(=O)N[C@H]1CCS(=O)(=O)C1	514402091	FHRSOPFBVKPPRX-CVEARBPZSA-N	531.626	3.056	0	20	KGAD	
CCCNC(=O)CSc1nnc(SCC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)s1	514402442	JAHDLAGSYHAYFW-UHFFFAOYSA-N	573.788	3.461	0	20	KGAD	
O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514300250	MJPKVNWDKMBYPE-SFTDATJTSA-N	560.673	3.272	0	20	KGAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl	514380626	QNGRSDFGWZJEOD-UHFFFAOYSA-N	562.998	3.267	0	20	KGAD	
CC(C)c1noc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccco2)n1	514395306	HOVCNMNTORJQKG-UHFFFAOYSA-N	530.632	3.406	0	20	KGAD	
COc1ccccc1COC[C@@H](O)CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1	514401349	UXNALISOCZHAHW-XMMPIXPASA-N	543.711	3.267	0	20	KGAD	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nnc(C[C@@H]3CCS(=O)(=O)C3)n1C)CC2	514403041	PQSHAANVSZSRSS-QYBDOPJKSA-N	556.710	3.076	0	20	KGAD	
CC[C@H](C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1	514403756	PJWXEGFFUVKGIG-SFHVURJKSA-N	547.678	3.160	0	20	KGAD	
CCOC(=O)c1c(C)csc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514296551	NDWMDQILGOKUNR-UHFFFAOYSA-N	508.618	3.434	0	20	KGAD	
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1	514375741	VZDVXVBEXQOCMK-VQIMIIECSA-N	521.665	3.408	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)N1CCN(c2ccc(F)cc2)CC1	514390085	XHYLSIGAQOTZQV-UHFFFAOYSA-N	515.529	3.474	0	20	KGAD	
CCCNC(=O)CSc1nnc(SCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)s1	514404410	GICMOUSDYFFGBJ-UHFFFAOYSA-N	546.538	3.417	0	20	KGAD	
COc1ccccc1-n1c(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3	514404582	IRTXHEGABAHDFN-HOTGVXAUSA-N	547.724	3.461	0	20	KGAD	
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1	514295466	JRYQTYGXFANPDS-UHFFFAOYSA-N	534.487	3.169	0	20	KGAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)nc(=O)c2c1C	514300717	RJMNWNYPZODWSP-UHFFFAOYSA-N	585.752	3.493	0	20	KGAD	
CCOC(=O)Cc1csc(NC(=O)CSc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)n1	514376115	CAXMYYFNWPZRJT-UHFFFAOYSA-N	539.705	3.380	0	20	KGAD	
Cn1cc(-c2ccc3c(c2)CC[C@@]32NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)cn1	2048534676	VDEZYUOBIXKTHI-BKMJKUGQSA-N	557.504	3.272	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514298600	BSBZWAKDAMZBTF-UHFFFAOYSA-N	605.783	3.459	0	20	KGAD	
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)sc2c1CC[C@H](C)C2	514387671	IAHKAEBOIPJLGM-SOUVJXGZSA-N	540.733	3.275	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cccc(Cl)c2)c(C(=O)OC)c1C	514296458	MBSYYUOZUVXNTF-AWEZNQCLSA-N	535.065	3.322	0	20	KGAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1	514303650	XRIQSMVVNXPFMZ-UHFFFAOYSA-N	526.659	3.144	0	20	KGAD	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)CC2)cc1	514377871	MIBAHBQOAMQESI-UHFFFAOYSA-N	534.078	3.262	0	20	KGAD	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514380239	KFBSBFQSRJXKHF-UHFFFAOYSA-N	578.757	3.335	0	20	KGAD	
COc1ccc(COC[C@@H](O)CSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1OC	514386905	IBRNLUFLWZDSOB-XMMPIXPASA-N	573.737	3.275	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1	514401224	PXSHQHJYCPWDIM-AZUAARDMSA-N	525.668	3.134	0	20	KGAD	
Cc1cccc(-n2c(SCC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)nnc2N2CCOCC2)c1	514403773	PTPUNNFYSCJUOO-UHFFFAOYSA-N	520.659	3.057	0	20	KGAD	
CCCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccc(Br)cc2c1=O	514293070	RHGQYHBYUHMRGA-UHFFFAOYSA-N	519.421	3.239	0	20	KGAD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	514295458	JPRFCEOJTAIWLC-UHFFFAOYSA-N	618.561	3.089	0	20	KGAD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)CC2)c(C(=O)OC)c1C	514377411	USVAGPKNQWOSLU-HSZRJFAPSA-N	621.778	3.382	0	20	KGAD	
Cc1sc2ncnc(N3CCC(C(=O)N4CCN(CC(=O)N5C[C@@H](C)C[C@@H](C)C5)CC4)CC3)c2c1C	514392335	VUSOEGHKWAZULV-KDURUIRLSA-N	512.724	3.173	0	20	KGAD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)cc2)C1	514291222	BLRJWYPYCSYAGU-HDICACEKSA-N	518.661	3.076	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(O)nc1=O	514291869	INBMTJWAYCWOMG-UHFFFAOYSA-N	590.747	3.222	0	20	KGAD	
CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3nnc([C@@H](CC)N(C)C)n3CCN3CCOCC3)nc(=O)c2c1C	514292895	NSDHPKOOXXCNGB-IAGOWNOFSA-N	563.750	3.259	0	20	KGAD	
CCn1c(CCC(=O)N2CCC(Cc3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514296022	NSYXIDZCRPGMGK-UHFFFAOYSA-N	524.687	3.491	0	20	KGAD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)CC1	514301128	WQHVJGDHDMQXLG-QFIPXVFZSA-N	516.616	3.255	0	20	KGAD	
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2CCCN(C)C)CCCC4)c1C	514383752	JIFMJOIAKAFXON-UHFFFAOYSA-N	563.771	3.284	0	20	KGAD	
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(C)oc2ncn(C)c(=O)c12	514400876	CWKMEIHFQRBKKR-UHFFFAOYSA-N	501.609	3.108	0	20	KGAD	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)c12	514300402	NTGISNKSVSOPLM-UTKZUKDTSA-N	519.631	3.391	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)o2)c1	514375901	ZNUWUTPDIYGJHM-HNNXBMFYSA-N	509.654	3.406	0	20	KGAD	
COc1ccc(NC(=O)Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3ccsc3)c2=O)cc1S(=O)(=O)N1CCCCC1	514381760	QXENJSLUSQVDAT-UHFFFAOYSA-N	603.788	3.018	0	20	KGAD	
COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	514292558	NQRPBSUCAUPNHA-QGZVFWFLSA-N	516.649	3.273	0	20	KGAD	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1	514296701	OYTBUOYYGODDGR-FQEVSTJZSA-N	561.604	3.096	0	20	KGAD	
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@H](CCSC)C2=O)cc1OC	514376158	CXUFLJJYSAHUOS-NVXWUHKLSA-N	502.618	3.117	0	20	KGAD	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1	514377146	YTRGLTQTMIVAMZ-UHFFFAOYSA-N	509.650	3.071	0	20	KGAD	
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4cc(S(=O)(=O)N5CCCCC5)ccc43)CC2)cc1	514390123	YSNCOHPGOGETLN-UHFFFAOYSA-N	559.710	3.054	0	20	KGAD	
COCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)c1nc2ccccc2s1	514403323	YIMRRRULPBMCAG-UHFFFAOYSA-N	519.645	3.394	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nc3ccccc3n2CCN(CC)CC)c(O)nc1=O	514405380	URGXLVZPXHOJHB-UHFFFAOYSA-N	568.723	3.431	0	20	KGAD	
COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)ccc1OC(F)F	514380177	YGCWAFHJVSXKCP-UHFFFAOYSA-N	511.366	3.267	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	514380740	ORWQWNQPHKTXFA-FPOVZHCZSA-N	587.768	3.453	0	20	KGAD	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	514381074	WBYPDMQHJHXGQF-OAQYLSRUSA-N	554.065	3.099	0	20	KGAD	
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)C1	514395167	DQUFGJKQASSFIG-SJLPKXTDSA-N	524.665	3.049	0	20	KGAD	
CCCCn1c(S[C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291321	FAKHSGMKFHQCLD-IBGZPJMESA-N	566.746	3.140	0	20	KGAD	
CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccccc1	514374770	GTOAXGGYSGCSSK-GOSISDBHSA-N	515.661	3.414	0	20	KGAD	
Cc1cccc(NC(=O)CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)CC2)c1C	514382836	WRXXNWFTTLLCJX-UHFFFAOYSA-N	583.574	3.311	0	20	KGAD	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	514292700	OXQMAMDLFLEGSW-UHFFFAOYSA-N	577.725	3.370	0	20	KGAD	
COCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514379083	LGPKUOKPWWRHTA-UHFFFAOYSA-N	624.082	3.330	0	20	KGAD	
CCCCn1c(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514380178	YJRXOBGSLFBEPH-UHFFFAOYSA-N	583.132	3.486	0	20	KGAD	
COc1ccc(-c2cc3nc(CSc4nnc(C[C@H]5CCS(=O)(=O)C5)n4C)[nH]c(=O)c3s2)cc1	514391452	JZWADRPVXYOPCJ-CYBMUJFWSA-N	517.658	3.058	0	20	KGAD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(=O)[nH]c1=O	15323067	QVTNDSGZEBCKCN-UHFFFAOYSA-N	533.695	3.095	0	20	KGAD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514295910	IPLACCNUFFEADY-UHFFFAOYSA-N	612.977	3.224	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCN(C(=O)C(C)C)CC1	514301612	ATQRBQRZMXUTOG-INIZCTEOSA-N	530.034	3.086	0	20	KGAD	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	514378762	WQWBMSRXFPJQNN-SHQCIBLASA-N	526.634	3.028	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)N(CC)c2nc3ccccc3s2)n1CCN1CCOCC1)N(C)C	514382976	AEHHLEKXBVMZBV-IBGZPJMESA-N	517.725	3.378	0	20	KGAD	
CC[C@@H](C)n1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc2sc3c(c2c1=O)CCCCC3	514385726	SIPIMBIXJBYSBI-MSOLQXFVSA-N	552.788	3.121	0	20	KGAD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	514404730	KHRWFTRJWSHKMW-UHFFFAOYSA-N	568.618	3.114	0	20	KGAD	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1S(=O)(=O)N1CCCCCC1	514292869	POVWCSODXHDIOM-UHFFFAOYSA-N	606.767	3.133	0	20	KGAD	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CSC)N3C(=O)[C@H]4CCCC[C@H]4C3=O)ccc2OC)cc1	514295810	FTXZCOINPUXOOI-HBMCJLEFSA-N	561.682	3.350	0	20	KGAD	
CCn1c(CCC(=O)NCc2cccc(C(F)(F)F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514295980	MXCQLLVWECAPQP-UHFFFAOYSA-N	524.565	3.345	0	20	KGAD	
CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)c1c(O)nc(=O)n(CC(C)C)c1N	514296653	SZFCBFXGXZPQLT-OALUTQOASA-N	533.695	3.301	0	20	KGAD	
CCOc1ccc(-n2c(SCC(=O)N(CC)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccc(OC)c2)cc1	514375765	WRJNRQIRRFNTQN-FQEVSTJZSA-N	530.672	3.469	0	20	KGAD	
CCN(C(=O)[C@@H](C)Sc1nnc2n(-c3cc(C)ccc3C)c(=O)c3ccccc3n12)[C@@H]1CCS(=O)(=O)C1	514388633	RPZWPFJJPWODFR-RTBURBONSA-N	539.683	3.166	0	20	KGAD	
COC(=O)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC)c(OC)c1	514389512	HYSRORXMIWNZQU-FQEVSTJZSA-N	504.605	3.221	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)c1	514405516	XAPPDNUWLJKIGX-UHFFFAOYSA-N	508.087	3.052	0	20	KGAD	
CSc1cccc(N2C[C@@H](C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)CC2=O)c1	514293847	YZOVEXAQPVVVMG-IBGZPJMESA-N	544.699	3.021	0	20	KGAD	
CCCn1c(CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514297015	QYOAHJVGPFYLSG-UHFFFAOYSA-N	634.825	3.135	0	20	KGAD	
C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	514374243	OMTSGFSMPCKKNS-CYBMUJFWSA-N	506.675	3.243	0	20	KGAD	
O=C1CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c2ccc(S(=O)(=O)N3CCCCC3)cc2N1	514378724	IGSLMRRZNYSTEV-UHFFFAOYSA-N	614.668	3.266	0	20	KGAD	
CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1N1CCOCC1)n2CC(C)C	514380882	XBHIQSZMUPDLFQ-UHFFFAOYSA-N	643.811	3.337	0	20	KGAD	
COc1cc(-c2nnc(SCC(=O)N3CCCC[C@@H]3C(N)=O)n2C2CCCCC2)cc(OC)c1OC	514389363	FHQWJLGRCISTHW-GOSISDBHSA-N	517.652	3.435	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1	514401649	BAGDOBKLMJGOSG-GOSISDBHSA-N	529.537	3.449	0	20	KGAD	
NS(=O)(=O)c1ccc(CCn2c(SCC(=O)NC3CCCCCC3)nc3ccccc3c2=O)cc1	514293955	YBQRJFINZKWEAE-UHFFFAOYSA-N	514.673	3.218	0	20	KGAD	
Cc1cccc(C)c1-n1c(SCC(=O)NCCCN2CCCC2=O)nnc1-c1cccc(S(=O)(=O)N(C)C)c1	514375232	NBEPLLATRHDCCQ-UHFFFAOYSA-N	570.741	3.022	0	20	KGAD	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)Nc1ccc(Br)cc1	514380524	OSLYDOJZIBUFST-UHFFFAOYSA-N	523.453	3.121	0	20	KGAD	
CCOc1cc(Br)c(CC(=O)N(CCCOC)c2c(O)nc(=O)n(CC(C)C)c2N)cc1OCC	514384165	PHBCWJRHCVBTFM-UHFFFAOYSA-N	555.470	3.359	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1c(O)nc(=O)n(CCCC)c1N	514391891	SCLCLVMYSSPUMV-UHFFFAOYSA-N	554.692	3.056	0	20	KGAD	
OC[C@H]1O[C@@](OC[C@H]2O[C@@H](c3ccc(Cl)c(Cc4ccc(O[C@H]5CCOC5)cc4)c3)[C@H](O)[C@@H](O)[C@@H]2O)(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O	2048529228	RKQFRXUUOLHRAP-AOHMNYHCSA-N	899.814	3.376	0	20	KGAD	
CCCCN(C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1c(O)nc(=O)n(CC(C)C)c1N	514292928	PZEKYQRXXVFEJI-UHFFFAOYSA-N	552.661	3.407	0	20	KGAD	
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)N1CCN(c2ncccn2)CC1	514302475	FLAMZVMORMXUBS-RTBURBONSA-N	518.647	3.225	0	20	KGAD	
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3ccc(NC(=O)C(C)C)cc3)CC2)c1	514380758	PJKKZKVUMDZLIO-UHFFFAOYSA-N	514.648	3.150	0	20	KGAD	
COCCN(C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1	514392561	YUGBIPWWFGZBOC-JOCHJYFZSA-N	528.700	3.229	0	20	KGAD	
COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514392733	AAJBUWSFISLYAN-XXBNENTESA-N	549.715	3.135	0	20	KGAD	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(N4CCCC4)n3Cc3ccco3)cc2)C[C@@H](C)O1	514394140	QWOXHHBJUUGSFQ-KDURUIRLSA-N	560.702	3.048	0	20	KGAD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c(O)nc1=O	514294985	FGGIVBRTBPNNLQ-UHFFFAOYSA-N	547.726	3.428	0	20	KGAD	
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1	514297083	RTNIKYXLVAZPNA-UHFFFAOYSA-N	519.645	3.348	0	20	KGAD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1ccc(C(=O)N(C)C)cc1	514298893	AFBSPPVIQZQXOT-UHFFFAOYSA-N	502.637	3.401	0	20	KGAD	
CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)nnc1-c1ccco1	514378206	BHDZEAGKBUMCPR-UHFFFAOYSA-N	503.650	3.307	0	20	KGAD	
CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1	514385107	YTVRBHNIFNMIFS-UHFFFAOYSA-N	564.730	3.029	0	20	KGAD	
CCCCn1c(N)c(N(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)C2CCCC2)c(O)nc1=O	514386548	RXKSNWZAFAYUHJ-UHFFFAOYSA-N	532.692	3.324	0	20	KGAD	
CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nc(C2CC2)nc2c1c(O)nc(=O)n2C1CC1	514394747	RLPCECRMZVJWGH-UHFFFAOYSA-N	503.531	3.457	0	20	KGAD	
CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1OC	514403109	IMCDGKLCWSCWTI-UHFFFAOYSA-N	503.621	3.357	0	20	KGAD	
Cc1ccn2c(CN3CCN(C(=O)Cc4ccc(S(=O)(=O)N5CCCCC5)cc4)CC3)c(C)nc2c1	514404244	DGAXFHRIPWAMKJ-UHFFFAOYSA-N	509.676	3.013	0	20	KGAD	
Nc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cnc(Cl)s3)[C@H]2c2cccnc2)sc2nccnc12	1807314536	RCYPABNAVGZFJB-LRDDRELGSA-N	500.009	3.412	0	20	KGAD	
O=C(Cn1ccc2sccc2c1=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3Cl)sc2C1	1820263626	NRRPGFABKHZFCC-LBPRGKRZSA-N	500.005	3.494	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCCOC)n2-c2ccccc2)c1	514292923	NVKRNGSCERUZQF-UHFFFAOYSA-N	517.677	3.210	0	20	KGAD	
COc1ccc([C@H](CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)N2CCCCC2)cc1	514298056	WVXJBDVBMYUILD-ZEQRLZLVSA-N	505.706	3.439	0	20	KGAD	
COCCCNC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccc(OC)c(OC)c1)CCC3	514376250	FBRUVEDUDXWKIV-UHFFFAOYSA-N	517.673	3.451	0	20	KGAD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(OC[C@@H]2CCCO2)cc1	514376408	LCNNFVYNYFQCFX-QFIPXVFZSA-N	515.632	3.118	0	20	KGAD	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1	514393706	JPFXTNWMGCQSJM-QFIPXVFZSA-N	537.513	3.306	0	20	KGAD	
Cc1sc2ncn(CCC(=O)N(CCC(C)C)c3c(O)nc(=O)n(Cc4ccccc4)c3N)c(=O)c2c1C	514394041	GONHEUJTNFNXQI-UHFFFAOYSA-N	536.658	3.437	0	20	KGAD	
CCn1c(SCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)nnc1N1CCOCC1	514405638	ZPLBPBALSBOGMB-UHFFFAOYSA-N	504.016	3.121	0	20	KGAD	
O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c(Cl)ccnc3c1)CC2	1826670948	ITNNUFJPUZYIAR-GFCCVEGCSA-N	500.009	3.481	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)c1	514292654	NMZSGOVRIZEAKT-KRWDZBQOSA-N	523.681	3.313	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1	514297822	XWARZGQNXCJWHM-UHFFFAOYSA-N	595.740	3.315	0	20	KGAD	
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)N1CCN(C(=O)c2ccco2)CC1	514374643	DNHYZURKEANEGV-YLJYHZDGSA-N	513.595	3.321	0	20	KGAD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)NCc3nnc4ccc(C(F)(F)F)cn34)nc(=O)c2c1C	514390231	CHNJCEDHWSCVEK-UHFFFAOYSA-N	554.576	3.471	0	20	KGAD	
CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC)cc1)N(C)C	514291338	DFMUIYIPRIHPEZ-YADARESESA-N	588.756	3.429	0	20	KGAD	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCSCc2ccccc2F)c1	514301345	ZOHSOFMUSUZZRE-UHFFFAOYSA-N	509.669	3.356	0	20	KGAD	
CC[C@@H](c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1CCN1CCOCC1)N(C)C	514375944	XJKIAXWLQGPLRH-SFHVURJKSA-N	500.591	3.373	0	20	KGAD	
COc1ccc([C@@H](CNC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)N2CCCCC2)cc1	514376233	DLEKRBDADQYQRO-GOSISDBHSA-N	516.693	3.288	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1c(O)nc(=O)n(CCCC)c1N	514379382	RFTDXRWMHSJHMJ-JOCHJYFZSA-N	526.682	3.025	0	20	KGAD	
CCCCCN(C(=O)CCC(=O)NCCOc1ccc(C)cc1)c1c(O)nc(=O)n(CCCC)c1N	514380257	KONUOIUCRJLEQP-UHFFFAOYSA-N	501.628	3.138	0	20	KGAD	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)c1	514392773	BHNLLYSYPRVNKX-UHFFFAOYSA-N	518.665	3.281	0	20	KGAD	
CCCCn1c(CCC(=O)NCc2ccccc2Cn2cccn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514403533	MCBNJAVMCBSXNU-UHFFFAOYSA-N	564.712	3.351	0	20	KGAD	
CCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1	514405154	REDXAXGQKOFARW-IEBWSBKVSA-N	515.657	3.301	0	20	KGAD	
O=C(CSc1ccncc1)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)c4nncn4c3)sc2C1	1819676066	NAUPHXRFPLVJPT-ZDUSSCGKSA-N	500.009	3.252	0	20	KGAD	
CCCCn1c(SCC(=O)NCc2ccccc2OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514292394	LULBBODTQXXKOY-UHFFFAOYSA-N	532.688	3.274	0	20	KGAD	
COCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nc2cc(Cl)ccc2c1=O	514293005	QFDDPWMWVVQKPN-UHFFFAOYSA-N	601.534	3.492	0	20	KGAD	
Cc1cc(Br)c(NC(=O)CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)c(Br)c1	514395081	BUVYSMQCVMEHEO-GFCCVEGCSA-N	561.300	3.439	0	20	KGAD	
CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(Cc2ccncc2)CC1	514401166	NZIASWWZELOXIC-IBGZPJMESA-N	517.504	3.133	0	20	KGAD	
O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514401512	XNNTUHDCXALGPZ-UHFFFAOYSA-N	549.049	3.288	0	20	KGAD	
C[C@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1-c1ccc(F)cc1)N(C)C	514404567	IKSKAJSKTKQQOP-MRXNPFEDSA-N	585.102	3.447	0	20	KGAD